#DEFINITION	Reference Metabolome for Taxus wallichiana var. chinensis
#IDENTTFIER	RefMeta-Taxus wallichiana var. chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Taxus wallichiana var. chinensis
#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 Taxus wallichiana var. chinensis 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	1004.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	1.2
73.97070	0.4
77.03939	1.1
79.05508	4.5
81.07057	0.9
85.02895	1.8
89.37277	0.5
91.05485	9.9
93.07034	4.4
95.04954	9.0
95.08593	2.0
97.02879	3.2
103.05463	0.7
105.03391	100.0
105.04533	3.1
105.07021	13.7
106.06537	0.5
107.04939	1.1
107.08599	8.4
109.06521	2.0
115.03928	0.7
117.07066	0.6
117.09140	0.5
118.06521	1.2
119.04949	3.1
119.08565	6.4
121.06496	7.5
121.10136	8.7
122.06026	27.1
123.04468	0.6
123.08057	2.7
123.11707	0.6
125.06067	0.5
129.06967	0.8
131.08571	3.6
133.06488	12.6
133.10129	7.5
135.04414	1.1
135.08043	6.1
137.05914	1.2
137.09689	0.7
143.08574	2.0
145.06503	2.4
145.10120	2.0
147.04424	0.5
147.08049	7.5
149.06003	6.1
149.09618	14.1
151.07526	2.9
151.11205	2.0
155.08521	0.7
156.09404	0.7
156.50270	0.5
157.10088	1.1
159.04395	0.9
159.08038	10.0
159.11699	0.9
161.05991	3.5
161.09602	4.6
163.07593	0.9
167.08598	0.7
169.10170	2.3
171.08047	1.0
171.11734	0.7
173.05905	0.6
173.09636	1.0
174.77452	0.6
175.06161	0.5
175.07538	2.1
177.05487	2.1
177.09094	9.3
179.07025	0.9
180.74217	0.5
183.11691	2.2
185.09631	0.9
187.11195	2.8
191.07083	0.6
191.10617	0.6
193.10127	0.9
195.11725	2.9
196.08812	0.5
197.09584	1.2
197.13280	1.0
199.11255	0.8
201.09105	0.6
201.12860	0.6
206.10896	1.0
207.11707	1.9
209.09608	1.9
209.13284	2.0
211.11205	2.7
211.14787	1.1
213.12845	2.0
220.12489	0.9
221.09700	0.7
221.13309	2.2
222.10449	0.9
223.11237	3.2
224.11911	1.0
225.12822	1.1
227.10715	0.7
229.12239	0.6
233.09503	0.7
235.14819	2.2
237.12822	0.7
239.10619	0.6
239.14371	3.0
240.10272	2.0
241.12248	0.9
245.13289	3.3
247.14944	0.6
248.12000	2.5
249.12740	0.8
251.10672	1.9
253.12245	0.9
253.15985	0.9
255.13872	1.0
257.15372	0.7
263.14227	3.6
265.12100	0.5
267.13919	2.9
268.09747	0.6
269.11740	1.2
273.12817	0.7
281.15234	4.2
285.14902	1.2
286.10715	24.0
291.13821	3.9
299.16470	0.9
309.14755	6.7
309.17285	0.4
327.15900	7.4
345.16910	2.0
387.18063	6.5
405.19052	2.9
431.18610	1.9
433.16400	0.9
447.20566	0.6
449.19366	3.8
491.20612	15.0
509.21667	14.5
527.22510	1.0
551.22675	18.8
569.23834	9.5
607.30396	0.5
623.25024	2.5
641.26172	5.6
645.51636	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	1018.7632
Annotation	Unknow
Peak:m/z	Relative Intensity
75.56734	0.3
77.75097	0.3
79.05508	0.5
96.08126	11.4
101.94819	0.3
113.10762	4.1
114.09162	53.3
115.07572	1.3
118.79227	0.3
132.10225	1.2
170.26561	0.3
186.76294	0.3
191.15404	0.4
208.18143	1.7
209.16489	29.6
210.14883	2.1
213.61415	0.3
226.19116	9.1
226.21175	0.4
227.17538	6.4
228.15938	20.5
245.18573	2.1
321.26398	2.2
322.24866	17.8
323.23398	0.7
339.27576	6.4
340.25903	3.1
341.24332	8.6
358.27228	1.4
368.90988	0.4
434.35089	1.9
435.33276	7.6
436.31863	0.4
452.36026	5.0
453.34445	2.9
454.32761	2.7
471.35587	0.5
547.43610	1.7
548.41522	2.4
565.44043	2.6
566.42902	1.2
660.52087	1.3
661.50854	0.7
678.53137	1.2
679.51093	0.5
791.61450	0.3
792.59174	0.4
905.67865	0.6
948.46686	0.4
1000.75946	1.6
1018.76331	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.2
50.61928	0.1
50.91088	0.2
51.02388	0.7
53.03748	0.2
53.03960	3.4
57.83538	0.2
60.02147	0.8
61.02937	0.2
65.26859	0.1
66.90533	0.2
75.04488	0.3
77.03928	2.6
81.03409	0.2
85.02921	0.3
88.01611	0.4
95.03067	0.2
95.04967	12.2
95.92866	0.2
102.04678	1.7
103.04071	2.4
103.05470	100.0
105.04517	6.7
116.41732	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03953	3.5
54.17356	0.2
55.16489	0.2
55.93917	0.2
60.02133	0.4
77.03933	2.8
83.34792	0.2
95.04964	12.2
96.53221	0.2
99.86483	0.2
102.04677	2.0
103.05465	100.0
105.04509	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
52.67442	0.1
53.03959	5.7
55.01876	0.2
57.03436	0.2
60.02145	0.9
75.04455	0.2
77.03927	5.0
80.03528	0.2
81.03423	0.3
85.02872	0.2
88.01596	0.3
95.04964	19.7
96.48096	0.2
102.04684	2.6
103.05465	100.0
105.04517	8.7
105.05056	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.1
51.02383	0.8
51.57373	0.1
52.60122	0.1
53.00301	0.1
53.03707	0.1
53.03952	3.2
53.86020	0.1
55.01860	0.2
57.03431	0.6
59.06125	0.8
60.02149	1.6
60.04512	0.5
60.89990	0.1
62.06073	0.1
67.08752	0.1
71.02983	0.4
73.02892	0.2
75.04456	0.6
77.03918	2.4
80.03503	0.4
81.03414	0.2
83.38395	0.1
85.02901	1.0
86.03201	0.1
86.32799	0.1
88.01594	1.2
95.04958	13.4
100.02467	0.2
102.04683	1.7
103.04037	3.8
103.05460	100.0
105.04506	6.0
105.05058	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.2
50.73511	0.2
51.02375	0.9
53.03959	3.4
59.06119	1.2
60.02149	0.4
60.04523	0.3
66.02204	0.2
77.03924	2.5
81.03426	0.2
85.02919	0.2
86.03236	0.2
88.01593	0.2
95.04960	12.0
102.04686	1.5
102.68282	0.2
103.05463	100.0
105.04512	5.9
116.13436	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	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
51.35222	0.1
53.26876	0.1
58.06602	1.5
59.07391	0.5
60.08170	18.1
70.41931	0.1
87.04460	0.3
100.95660	0.1
104.10745	100.0
120.00568	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	1041.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
83.96325	0.3
86.09706	24.5
87.03756	0.4
98.98444	0.7
99.37081	0.3
102.61393	0.3
103.00737	0.3
104.10745	69.3
108.75994	0.4
115.35219	0.3
125.00004	12.1
152.71062	0.4
184.07333	100.0
198.08984	0.5
230.53596	0.4
235.43028	0.4
258.11002	0.6
313.27481	0.8
401.00204	0.4
478.33206	1.3
496.33954	15.8
528.34644	1.4
546.35486	15.7
546.43604	0.6
599.44653	1.3
649.45673	1.3
669.80542	0.4
1041.68787	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.6
51.02390	3.6
53.03956	24.1
55.01867	0.4
55.14928	0.4
59.51309	0.4
69.35596	0.4
70.03582	0.4
77.03931	20.1
79.05499	2.5
81.03416	1.9
88.75055	0.5
90.51737	0.4
95.04962	85.8
103.05506	0.7
105.03395	100.0
105.04489	39.4
105.07026	10.3
106.07626	0.4
118.06532	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.2
51.02389	4.0
52.94487	0.2
53.03957	24.1
54.40266	0.2
55.01858	1.5
69.92770	0.2
77.03931	15.6
79.05489	3.8
81.03431	2.8
81.04198	0.3
95.04965	93.6
103.05470	3.3
103.45911	0.3
105.03400	100.0
105.04491	42.7
105.07021	19.3
118.06558	1.4
121.03171	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	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
51.02390	3.9
51.83829	0.2
53.03959	22.2
54.60544	0.2
55.01870	1.2
55.39208	0.2
56.71579	0.3
59.32337	0.3
61.75276	0.2
65.86676	0.3
68.57894	0.2
68.92120	0.2
72.03259	0.3
74.82017	0.2
77.03931	19.0
79.05504	4.0
81.03419	3.1
88.59084	0.2
95.04967	90.7
97.05414	0.2
103.05462	2.4
105.03399	100.0
105.04486	39.7
105.07026	22.1
118.06542	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
51.02194	0.2
51.02390	3.2
53.03957	19.1
55.01868	0.8
68.99762	0.2
72.16530	0.1
77.03930	17.7
79.05492	1.9
81.03420	3.0
95.04964	90.2
103.04889	0.2
103.05452	1.4
105.03397	100.0
105.04484	41.2
105.07019	10.1
106.04194	0.2
118.06548	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
50.55779	0.1
51.02386	0.5
53.03953	2.8
77.03938	2.7
79.05499	21.0
82.78426	0.2
95.04968	9.1
103.05472	14.5
105.03423	4.1
105.04549	4.2
105.07032	100.0
105.11075	1.1
115.47069	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03952	1.8
76.38872	0.2
77.03912	1.9
79.05493	20.9
95.04959	7.1
95.05531	0.4
103.04960	0.4
103.05466	13.9
105.03378	1.3
105.04551	3.6
105.07028	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01584	0.2
51.02383	0.5
51.75993	0.2
53.03958	2.2
54.85074	0.2
67.17426	0.2
76.57977	0.2
77.03940	2.0
79.05498	22.4
80.24686	0.2
95.04967	7.5
96.57619	0.2
103.05475	14.3
105.04566	3.0
105.07035	100.0
114.63209	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02388	0.4
53.03959	2.5
62.24967	0.2
64.01897	0.3
77.03934	1.4
79.05497	19.8
81.03432	0.2
95.04965	8.1
103.05473	13.4
105.03471	1.7
105.04539	4.5
105.07032	100.0
110.66898	0.2
111.36057	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02385	0.4
53.03954	2.2
53.67530	0.2
55.01875	0.3
60.04529	0.3
64.01901	2.3
64.64650	0.2
77.03922	1.6
79.05494	20.8
92.18462	0.3
95.04964	7.8
97.76783	0.2
103.05465	12.7
105.03465	1.6
105.04530	5.8
105.07029	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02389	0.5
52.86015	0.2
53.03955	2.3
58.79644	0.2
77.03938	2.1
77.88494	0.2
79.05492	20.6
94.36219	0.3
95.04965	8.2
103.04904	0.3
103.05463	12.9
105.03394	1.1
105.04542	3.6
105.07027	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.14166	0.2
51.02374	0.5
53.03957	2.6
58.73283	0.2
60.53001	0.2
60.67731	0.2
63.13313	0.2
64.01904	0.9
67.39963	0.2
77.03931	1.5
77.75079	0.2
79.05498	20.7
81.03394	0.2
95.04967	8.2
103.05472	13.5
105.03408	1.5
105.04535	5.3
105.07034	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	0.4
53.03959	2.1
53.68743	0.2
73.02915	1.0
77.03931	2.2
79.05495	19.0
81.03403	0.2
95.04343	0.2
95.04964	8.0
103.05467	14.7
105.03430	1.8
105.04556	3.6
105.07030	100.0
105.11082	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03967	2.9
60.11866	0.2
61.00857	0.3
64.01894	0.5
68.62187	0.3
77.03960	2.2
79.05497	22.9
81.03418	0.4
84.20081	0.3
95.04970	11.4
103.05470	12.9
105.03419	4.0
105.04529	6.7
105.07032	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	1058.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05526	1.9
81.07069	2.9
83.08613	14.6
85.06539	2.0
91.05490	6.7
93.07037	10.5
95.08587	2.7
97.06501	9.0
97.07073	1.4
105.07014	11.5
107.08599	7.5
109.06514	8.6
109.10149	8.8
115.73579	1.3
119.08575	42.1
121.10140	7.2
123.08034	1.6
123.11680	2.0
125.09619	3.3
128.06203	2.2
129.07004	6.7
131.08559	17.0
133.06483	7.8
133.10091	10.8
135.08063	2.6
137.09621	6.3
141.06981	2.3
142.07761	2.2
143.08556	27.1
145.10121	29.3
146.14876	1.4
147.11670	2.8
149.09689	2.2
151.11281	1.5
155.08534	11.4
156.09328	2.4
157.10110	27.6
159.08083	2.9
159.11700	8.5
161.09608	6.3
163.11270	1.5
168.09311	1.5
169.10118	21.5
171.11691	17.5
172.12480	1.5
173.09610	7.4
173.13223	10.8
175.11198	3.3
179.08524	1.7
181.10152	6.4
183.11697	36.0
185.13257	24.3
187.11122	2.5
187.14790	13.6
189.12677	2.1
191.72655	1.4
193.10130	5.5
195.11646	9.5
197.09613	1.5
197.13206	13.5
199.11212	2.5
201.12740	6.9
206.10953	2.6
207.11726	12.6
207.13412	1.7
209.13306	7.2
211.11237	5.1
211.14662	9.8
215.14320	5.9
218.75204	1.4
221.13191	12.2
223.14796	8.6
225.12828	8.1
225.16306	2.0
227.14311	1.8
233.13194	2.3
234.14066	2.8
235.14835	2.7
237.16483	10.3
239.14281	8.9
239.17932	6.2
245.68161	1.7
248.15602	3.4
253.19577	12.4
263.17944	20.2
281.18991	68.6
299.20047	32.3
317.21075	2.0
323.20020	2.4
341.21033	23.1
359.22055	10.8
383.22122	11.0
401.23178	32.2
443.24133	2.6
461.25336	100.0
531.72107	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	1063.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	0.7
81.07070	1.4
82.60180	0.3
91.05479	1.8
92.18512	0.7
93.07056	2.4
95.04960	0.4
95.08598	1.5
97.06519	0.4
105.07020	2.1
107.04984	0.4
107.08607	2.3
109.06496	0.5
109.10147	2.4
111.08111	0.3
119.08578	3.9
121.10117	2.2
129.06946	0.4
131.08568	1.9
133.10124	4.6
135.08031	0.6
135.11697	0.7
141.06932	0.4
142.07832	0.4
143.08594	2.3
145.10144	2.5
147.08072	0.6
147.11670	1.7
155.08578	2.3
156.09398	0.4
157.10107	4.5
159.08058	1.3
159.11707	2.5
160.13522	0.3
161.09610	1.8
161.13329	0.3
163.11229	0.6
169.10123	2.8
171.11696	5.8
173.09557	0.6
173.13251	2.6
175.11067	0.7
179.08624	0.5
181.10136	2.1
183.11676	3.3
185.09601	0.3
185.13248	3.1
187.11195	1.4
187.14665	0.3
189.12733	0.5
193.10178	1.7
195.11716	2.0
197.09618	0.4
197.13264	3.3
199.11201	1.1
199.14761	0.4
201.12732	0.5
206.10893	1.6
207.11694	4.3
208.12506	0.3
209.13264	3.8
210.14052	0.3
211.11133	0.6
211.14856	1.8
213.12756	0.6
220.12340	0.5
221.13255	6.9
223.14769	1.9
225.12791	1.7
225.16223	0.5
233.13231	1.8
234.14040	1.3
235.14845	0.7
237.16318	2.3
239.14285	1.4
239.18057	1.4
248.15582	3.6
253.15912	0.4
253.19507	2.0
263.17947	8.8
271.20596	0.4
281.19003	8.1
299.20047	3.5
317.21158	0.4
341.21149	2.0
363.19360	1.4
381.20483	2.1
423.21426	7.2
428.13516	0.3
441.22360	1.6
461.25510	2.2
466.43576	0.4
483.23538	100.0
543.25677	60.6
1046.63147	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
52.94306	0.3
53.03950	1.6
57.45196	0.3
59.86937	0.3
63.85641	0.3
65.03947	0.4
74.22237	0.3
74.71120	0.3
77.03931	1.6
78.33556	0.3
79.05497	100.0
91.05477	5.6
93.59506	0.3
95.04978	6.6
105.04507	2.3
105.07043	2.2
107.04951	13.1
107.08598	5.3
109.06522	1.5
121.59893	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.33890	0.6
53.03951	1.8
63.71284	0.6
65.03947	0.8
68.66689	0.6
69.36214	0.6
73.19453	0.7
74.28541	0.7
79.05494	100.0
81.04913	0.6
91.04996	0.8
91.05492	8.3
95.04952	6.9
95.05463	0.7
97.53396	0.7
101.48774	0.7
102.61332	0.7
105.04520	3.2
105.07020	3.6
105.62297	0.7
107.04955	20.6
107.08593	8.3
109.06536	1.6
119.06066	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01610	0.3
51.02385	0.4
52.15865	0.1
53.03956	2.0
56.02402	0.1
65.95291	0.1
69.55880	0.2
75.42500	0.2
77.03915	2.0
79.05495	100.0
86.58533	0.2
90.36086	0.2
95.04410	0.3
95.04972	6.6
105.04521	2.4
107.04954	24.6
107.08578	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01611	0.2
51.02391	0.5
53.03960	3.3
55.01887	0.2
56.86422	0.2
56.95838	0.2
57.68193	0.2
65.03935	0.3
68.56600	0.2
77.03919	2.3
77.07322	0.2
79.05494	100.0
91.04985	0.2
91.05471	2.0
95.04963	11.1
105.04520	4.9
105.07011	0.2
107.04952	99.2
107.08564	2.1
109.06503	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02383	0.2
53.03960	1.8
55.01864	0.6
64.01818	0.1
65.03943	1.9
67.05502	0.6
77.03925	1.6
79.05499	13.6
80.03583	0.1
81.03413	0.3
91.05485	20.8
92.06261	0.7
95.04972	7.2
105.04520	2.7
105.07038	8.3
106.04211	0.2
107.04959	100.0
107.08595	22.1
109.06528	5.2
119.06067	4.2
119.61165	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	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57427	0.8
53.03959	1.5
55.75560	0.8
62.55112	0.8
69.56412	0.8
75.10328	0.8
77.03935	1.5
79.05493	100.0
91.05464	8.6
95.04955	8.1
95.68687	1.1
105.04517	2.0
105.06997	2.2
107.04965	16.2
107.08577	6.1
119.06001	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.03852	0.7
52.67686	0.6
52.93188	0.6
53.03946	1.1
59.98579	0.6
65.03936	0.8
71.15527	0.7
77.03939	1.3
79.05499	100.0
91.05505	5.6
95.04943	6.8
104.27390	0.8
105.04491	2.5
105.07030	3.2
107.04955	16.0
107.06066	1.6
107.08581	6.9
119.06120	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	0.5
55.01883	0.5
56.39622	0.2
59.72589	0.2
65.03946	8.3
67.05512	1.5
77.03932	1.0
79.05492	18.0
91.05478	88.6
92.06266	2.1
92.18494	0.3
95.04961	2.6
105.07029	36.4
106.04209	0.8
107.04955	19.0
107.08591	100.0
109.06516	23.4
119.06056	16.4
124.05196	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	1082.6398
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	9.3
81.03407	2.2
81.07055	9.3
83.08603	1.0
83.92492	1.0
91.05480	19.7
93.06499	1.1
93.07043	17.5
95.04973	12.6
95.08601	14.2
103.05446	1.9
105.07036	24.4
107.04954	1.1
107.08586	17.6
109.10152	8.8
111.08073	3.6
115.05437	4.5
117.07003	14.7
119.08578	41.9
121.06514	1.0
121.10154	9.1
128.06226	1.0
129.07010	5.1
130.07759	5.2
131.08540	10.6
133.10123	98.7
135.08037	13.5
135.11710	4.7
137.09583	4.9
141.06943	1.1
142.07745	4.0
143.08543	13.2
144.09381	1.3
145.10120	60.5
147.11720	12.3
155.08557	5.7
156.09358	5.1
157.10117	18.4
158.10933	1.3
159.11685	16.3
161.09624	6.0
163.11148	21.8
165.07018	1.8
166.07800	1.0
167.08528	7.3
168.09348	1.1
169.10110	13.0
171.11694	17.1
173.13216	9.0
179.08562	2.2
180.09297	2.3
181.10114	12.5
182.10947	1.8
183.11661	14.5
185.13185	7.4
189.12729	1.4
193.10161	5.0
194.10887	7.0
195.11674	19.5
196.12430	0.9
197.13260	12.7
207.11647	1.8
208.12440	7.0
209.13254	29.5
210.13976	1.3
215.14206	1.2
221.13297	1.8
222.14011	3.7
223.14781	23.0
224.15540	1.6
225.16371	1.8
227.14363	1.1
235.14787	4.6
237.16333	7.6
250.17209	8.5
255.21117	1.1
265.19482	100.0
283.20560	17.4
285.87018	0.9
325.21640	11.8
343.22626	3.7
385.23697	22.8
484.36978	1.0
624.13428	1.0
702.67938	1.1
1082.61780	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.95024	0.2
53.00324	0.2
53.03949	2.7
55.05517	6.8
60.91428	0.2
61.78501	0.2
65.03942	3.3
65.05618	0.2
66.04711	0.3
67.05505	94.5
68.05035	0.4
69.07062	4.3
69.13523	0.2
74.92761	0.2
75.94860	0.3
77.58289	0.2
79.05495	13.2
80.06271	0.3
81.03419	12.3
81.07056	39.4
82.35941	0.2
91.05477	1.1
94.04162	0.3
94.07828	1.0
95.04953	0.5
107.08589	4.4
109.02860	0.9
109.06516	36.5
109.07613	3.1
109.10149	100.0
123.46530	0.3
124.75108	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02388	0.6
53.03957	15.3
55.01859	0.5
55.05517	7.2
65.03940	2.7
67.05505	99.7
69.07079	4.4
70.43941	0.3
75.80031	0.4
79.05488	6.9
80.04765	0.3
80.06278	0.4
81.03416	67.9
81.07054	33.8
81.07440	0.5
86.00675	1.6
91.05488	1.4
94.04193	0.8
97.47932	0.3
106.26851	0.3
107.04941	0.5
107.08575	4.7
109.02866	5.7
109.06516	9.1
109.10149	100.0
111.04401	0.3
111.96811	0.3
124.74104	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.45391	0.2
51.02369	0.3
51.88249	0.2
53.00309	0.3
53.03957	12.6
55.05515	5.9
65.03937	1.6
67.05504	93.1
69.07063	3.4
71.15652	0.2
76.87411	0.2
79.05486	5.0
80.06292	0.4
81.03416	45.1
81.07053	28.4
82.06570	0.3
86.00699	3.1
86.50629	0.3
89.01970	0.3
89.29076	0.3
89.64899	0.2
91.05470	0.3
94.07826	0.5
94.70545	0.2
103.38315	0.2
107.04856	0.3
107.08578	3.7
109.02879	5.5
109.06520	5.5
109.07698	2.0
109.10147	100.0
111.96876	0.4
117.87273	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02396	1.1
53.00324	0.3
53.03956	23.4
55.01878	0.4
55.05521	5.6
58.31735	0.3
65.03949	2.3
65.11038	0.2
65.74845	0.2
67.05508	100.0
69.07066	2.9
69.81408	0.3
79.05499	4.4
80.06265	0.4
81.03420	93.7
81.07057	25.9
86.00686	2.3
89.19743	0.3
91.05448	0.3
94.04195	1.2
94.48154	0.3
107.08589	3.4
109.02882	9.0
109.06523	7.4
109.10154	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03957	11.9
55.01909	0.3
55.05519	6.1
58.76618	0.3
65.03951	2.1
67.05507	100.0
68.05044	2.1
69.07072	3.6
79.05490	5.7
81.03419	40.0
81.07060	29.5
86.00703	2.0
86.50604	0.7
89.60554	0.4
91.05499	0.8
94.07809	0.6
95.04972	0.5
104.39464	0.4
107.08572	3.4
109.02879	4.1
109.06523	5.2
109.07656	6.0
109.10152	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0604
Annotation	2-Acetyl pyrrole
Peak:m/z	Relative Intensity
51.75916	0.3
53.03946	1.3
54.04290	2.7
55.93544	0.5
60.44189	0.2
65.03945	9.8
65.20313	0.2
67.05526	0.2
68.05843	0.5
68.99353	0.3
71.66348	0.2
72.93784	2.6
77.99937	5.8
80.05823	0.3
81.03426	2.7
82.03752	11.6
82.06599	2.1
82.07394	0.4
87.00465	54.1
87.50600	0.6
88.00668	0.5
90.94820	1.6
92.05003	34.4
93.03400	5.0
96.00978	7.5
98.51231	2.4
108.95858	0.5
110.03087	1.0
110.03646	1.3
110.06041	100.0
110.10467	0.4
111.04438	4.5
113.96395	20.7
114.96432	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	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03943	1.4
53.85002	0.7
55.01857	1.1
55.05518	46.4
56.96569	1.4
57.07069	0.8
60.89834	0.7
65.03937	3.1
67.05495	4.2
67.51056	0.7
69.07069	100.0
70.06590	5.4
71.22972	0.7
79.01840	4.1
83.04978	4.1
83.06070	1.0
88.00462	4.0
93.07018	1.2
97.00989	0.9
111.04438	14.0
111.05560	4.2
111.08086	5.6
111.09195	24.7
114.60352	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	112.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01907	0.2
56.96573	3.2
64.18374	0.1
67.02995	0.2
67.05537	0.1
68.01376	0.2
68.05019	0.2
69.03413	0.1
69.04552	3.2
70.06591	3.6
70.94252	0.2
70.95834	0.1
70.98124	1.6
71.02988	0.1
71.04983	0.1
75.01049	0.4
80.00219	0.2
82.01155	0.1
82.69097	0.1
84.01563	0.7
84.04534	0.2
84.08128	0.4
86.51810	0.1
88.95349	0.1
88.99155	0.7
89.00243	0.2
89.00764	0.2
89.52348	0.7
92.00221	0.1
93.02060	0.2
94.04070	1.2
95.02449	10.9
95.06087	0.2
97.02860	0.1
98.82542	0.1
100.02484	0.4
112.05086	100.0
112.11237	0.2
113.03439	0.1
117.57923	0.1
125.37197	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	112.051
Annotation	Cytosine
Peak:m/z	Relative Intensity
51.17373	0.1
52.01915	0.1
67.02983	0.3
68.01362	0.1
69.04555	3.9
70.06593	3.1
88.23765	0.1
94.04059	1.3
95.02451	12.0
106.35635	0.1
112.05087	100.0
112.11244	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	1124.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
79.15507	1.0
83.04986	1.1
90.11117	0.9
91.05471	5.2
95.04955	9.7
98.05207	1.1
105.03394	100.0
105.07021	4.2
107.08584	9.7
111.04407	1.6
119.08577	69.9
126.60872	1.2
129.05405	1.6
133.06508	5.2
135.08058	23.2
143.08528	2.1
145.10077	1.3
151.07568	4.2
155.08545	1.3
159.08054	2.0
165.06950	1.3
169.10086	1.8
171.08052	2.3
173.09569	1.7
176.01259	1.2
177.09087	1.2
179.08496	1.4
180.62294	1.1
181.10101	4.9
185.09616	1.7
193.10106	1.9
195.11668	4.3
197.09560	10.2
198.10397	2.7
199.11191	26.4
207.11749	1.5
209.09671	6.5
209.13269	1.7
211.11174	28.7
221.13161	1.7
223.11176	6.6
223.14737	1.6
225.12715	16.1
227.10645	22.1
232.12401	1.1
235.11266	1.9
235.14867	1.5
241.12311	1.4
251.10645	1.2
251.14139	1.2
253.12256	9.1
263.14502	1.5
265.15836	2.7
271.13300	6.1
275.14066	1.7
281.13831	1.3
293.15332	5.5
311.16281	2.0
313.14331	32.6
373.12006	2.4
373.16449	42.6
412.11081	1.3
415.21252	21.1
467.47592	1.2
475.21484	1.9
495.19797	1.5
537.23041	1.9
597.24841	12.0
657.26801	7.9
675.27856	5.5
979.96057	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	113.0349
Annotation	Uracil
Peak:m/z	Relative Intensity
53.00305	0.2
53.03955	3.0
55.01887	1.4
55.05520	1.5
57.03438	1.4
60.39026	0.1
63.36310	0.1
65.35835	0.1
67.01861	0.9
67.05505	1.4
68.01382	0.3
69.03420	0.2
70.02953	30.6
70.06590	0.3
71.04993	4.1
71.06917	0.7
74.58836	0.2
75.48241	0.2
81.03422	5.1
83.04971	0.3
85.02906	1.6
85.03325	0.2
85.06548	2.1
88.64588	0.2
95.01308	0.4
95.02444	2.7
95.04975	0.8
96.00850	20.2
96.02764	0.4
108.11970	0.1
113.02381	8.4
113.03485	100.0
113.05380	3.4
113.06013	6.8
113.10748	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.32431	0.6
53.00312	0.8
53.03942	4.2
54.58397	0.6
55.01854	0.6
55.05519	4.8
57.03431	2.9
57.07079	100.0
65.03941	4.9
67.05505	59.4
67.05870	1.6
69.07058	0.8
70.02943	3.0
70.06590	1.4
71.04987	9.9
81.03429	5.2
82.02433	0.7
83.04981	0.8
85.06541	31.9
85.07636	0.7
95.04958	22.3
95.06042	2.5
113.02361	32.2
113.03490	6.3
113.04726	0.9
113.05991	28.4
113.07117	5.0
113.10788	1.2
121.45903	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	1133.25
Annotation	Unknow
Peak:m/z	Relative Intensity
97.84322	0.1
121.02861	7.5
167.03380	0.8
181.88187	0.1
261.46848	0.2
311.09195	0.2
335.09131	0.2
389.06442	0.2
390.07184	0.2
401.10269	2.0
416.05325	0.2
417.06055	0.6
431.07700	1.5
432.08395	2.5
449.08670	1.3
525.11719	0.7
535.10144	5.2
552.10706	0.3
567.12860	100.0
577.21167	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	1143.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05499	7.4
81.03438	1.4
81.07061	5.0
85.04084	0.4
91.05476	18.1
93.07038	13.2
95.04405	0.8
95.04965	11.1
95.08601	8.8
95.73584	0.4
102.88422	0.4
103.05456	1.7
104.32870	0.4
105.04514	0.8
105.07030	23.6
107.04959	2.3
107.08593	11.4
109.06512	1.5
109.10160	7.9
111.08065	0.5
115.05448	4.5
116.06223	0.9
117.07014	13.5
119.08575	35.9
121.06509	1.0
121.10131	8.4
128.06247	3.7
129.06966	5.7
130.07779	7.7
131.08549	7.3
133.10124	100.0
135.08055	4.4
135.11685	3.7
137.09592	5.1
141.06970	2.4
142.07782	3.3
143.08553	8.8
143.09566	0.6
144.09300	1.0
145.10115	43.1
147.08011	0.6
147.11684	11.3
149.09668	0.4
152.06253	0.6
153.06926	0.5
155.08539	5.2
156.09309	3.5
157.10120	10.1
158.10919	0.9
159.11684	10.5
161.09628	1.6
161.13281	0.5
163.11171	13.6
165.07025	3.3
166.07806	0.5
167.08536	5.6
168.09283	0.8
169.10107	6.9
170.10901	0.9
171.10199	0.5
171.11678	13.0
171.13054	0.8
173.13223	6.6
179.08565	4.6
180.09357	2.6
181.10103	9.4
182.10910	0.9
183.11671	9.2
185.13252	4.2
185.23927	0.5
189.12737	0.7
193.10136	6.0
194.10895	6.4
195.11687	12.8
196.12444	0.9
197.13243	7.8
199.14838	0.7
205.12219	0.6
207.11656	3.3
208.12456	6.2
209.13254	21.4
210.14059	0.8
221.13332	3.1
222.14064	2.7
223.14792	14.3
224.15630	0.7
225.16377	0.8
227.14281	0.7
235.14798	4.7
236.15683	0.8
237.16380	2.7
250.17175	3.7
265.19498	46.5
283.20551	3.3
325.21625	2.2
336.79343	0.5
355.18906	0.5
558.19586	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	1146.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	2.5
79.40221	2.2
81.07043	3.1
91.05479	94.5
93.07047	8.2
93.48595	2.1
95.04966	14.9
95.08585	2.4
103.05480	3.4
105.03394	100.0
105.07056	16.3
106.06522	2.9
107.08585	5.3
109.06496	2.2
115.69720	2.0
117.06941	2.2
119.04932	13.4
119.08572	12.0
121.06478	8.3
121.10133	4.6
123.08078	4.6
131.08598	3.4
133.06479	11.7
133.10103	4.6
135.08043	4.5
142.07797	2.9
145.10059	2.4
147.08018	8.5
149.05980	11.2
149.09650	8.7
151.07547	2.3
157.10129	4.2
159.08063	2.8
161.09590	9.9
165.24338	2.2
169.10155	4.2
171.11720	2.7
173.09642	3.4
175.07579	3.9
179.08499	3.5
181.10059	2.9
182.08115	84.5
183.11646	3.1
193.10164	4.6
195.11731	10.4
196.12469	3.4
197.09595	3.0
199.11249	2.4
203.07103	2.4
206.10910	10.2
207.11665	4.4
209.09575	2.9
209.13278	8.3
211.11186	8.8
211.14696	2.6
213.09232	2.3
220.12512	3.7
221.13260	9.2
222.10486	3.4
223.11215	4.2
223.14954	2.7
225.09212	2.6
225.12764	4.8
235.14877	3.0
236.11562	2.2
237.12660	5.1
239.14336	5.1
241.12201	4.6
248.11955	2.9
249.12646	3.1
251.10706	3.4
251.14220	2.3
253.15550	3.0
263.14319	9.8
281.15393	8.3
299.16660	2.6
309.14880	13.7
327.15814	22.4
387.17899	10.5
447.20474	3.3
449.19998	3.8
509.21729	92.3
569.23785	51.6
750.31268	34.6
843.19415	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	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76962	0.6
56.94772	0.6
59.05014	0.7
63.41196	0.7
67.55378	0.7
70.06583	3.9
71.02976	5.3
71.53042	11.8
72.02862	1.9
73.04047	1.0
73.07664	1.2
74.06075	8.1
80.03505	1.2
80.53551	4.7
81.03388	1.5
83.01339	1.6
83.03839	1.8
87.04446	1.2
89.03858	0.8
115.03928	6.6
115.05456	100.0
115.08709	1.2
132.44440	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86609	0.6
54.63489	0.7
55.01867	0.9
56.05025	0.9
59.05007	2.7
61.70317	0.7
62.52513	1.2
65.43034	0.6
69.07082	1.0
70.06585	4.3
70.69680	0.8
70.92819	0.7
71.02980	11.6
71.53040	21.4
72.02866	4.0
73.07681	4.8
74.06078	16.7
80.03502	1.5
80.53551	5.4
81.03399	0.9
82.53768	1.3
83.01353	3.3
83.03811	3.3
84.55965	0.9
87.04450	1.6
97.07641	1.3
115.03912	5.7
115.05452	100.0
115.08666	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	0.8
64.60065	0.8
65.11622	0.8
70.06574	1.0
73.07678	3.9
74.06078	4.8
74.32450	0.8
78.77188	0.8
115.05458	100.0
115.08663	0.9
126.73278	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40849	0.8
52.46682	0.7
52.80697	0.8
55.01873	0.9
56.05045	5.9
59.03748	1.0
59.05005	0.7
59.96616	0.7
62.47381	0.7
63.49866	0.7
67.02985	3.5
67.65754	0.7
70.06592	6.1
71.02990	7.6
71.53051	13.7
72.02867	3.8
72.05154	0.8
72.08162	0.9
73.07682	15.0
74.06087	16.2
80.53547	6.2
83.01345	3.2
83.03889	1.2
87.04443	0.9
97.07660	4.0
109.32604	0.7
115.03922	5.8
115.05460	100.0
115.08676	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28212	0.7
51.40007	0.8
56.05043	14.1
59.03743	1.0
59.05017	1.1
59.06115	1.0
60.02240	1.2
62.02491	1.0
67.03004	7.2
68.54347	0.9
69.07068	1.1
70.06595	12.2
71.02991	18.7
71.06120	1.2
71.53036	29.9
72.02867	6.0
72.08163	4.2
73.04054	1.9
73.07679	35.2
74.06081	43.5
74.09720	2.1
79.05159	0.9
80.03534	2.3
80.53556	8.8
81.03386	1.2
82.05324	0.9
82.53778	4.8
83.01348	2.1
83.03876	5.8
83.98584	0.9
87.04472	1.8
91.03637	0.9
97.07638	9.7
98.06055	4.4
113.94539	1.0
115.03920	5.9
115.05471	100.0
115.08690	14.5
115.10648	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
56.05041	13.3
59.03745	1.4
67.03006	2.5
70.06592	6.5
71.02968	1.4
71.06139	1.3
71.53030	7.5
72.02852	1.4
72.08145	1.7
73.07685	29.2
74.06078	33.3
74.09714	2.8
92.17821	2.4
97.07660	7.4
98.06065	2.3
105.29427	1.2
115.03950	2.8
115.05463	100.0
115.08673	11.0
115.10634	1.7
129.76706	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18893	0.8
52.67182	0.7
53.80156	0.8
55.01875	1.4
55.05523	1.6
56.05044	29.9
56.61985	0.8
56.94491	0.8
57.03444	1.3
58.06607	1.8
59.03751	5.6
59.05014	1.7
59.06125	1.6
60.04533	1.3
67.02998	7.3
69.07072	1.2
70.06596	15.0
71.02999	5.2
71.06109	1.8
71.53048	9.1
72.02866	1.3
72.04511	1.4
72.08173	7.3
73.04046	1.9
73.07682	71.6
74.02450	1.2
74.06084	59.1
74.09734	4.4
80.03519	1.4
80.26466	0.9
83.01363	2.1
87.04467	1.8
88.03986	1.0
89.04002	1.1
89.70559	1.0
97.07641	15.2
98.06030	6.7
102.00961	1.1
115.03938	6.5
115.05485	100.0
115.08680	20.3
115.09361	1.3
115.10638	6.8
115.12362	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	1155.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
80.10320	3.3
83.79644	3.7
88.62798	4.1
111.04436	15.5
123.04423	65.0
127.03925	34.2
135.04388	61.8
139.03896	59.3
149.02324	6.1
151.03889	24.1
163.03885	61.3
167.03419	5.3
179.03333	5.0
201.05440	4.8
203.03362	9.6
229.04893	9.3
245.04425	100.0
247.06033	70.0
255.06441	5.7
257.04572	32.0
259.05954	16.2
271.05984	28.0
274.04556	5.1
275.05493	20.4
283.05951	6.7
285.04019	6.7
287.05481	19.8
289.07065	40.1
297.04074	6.3
299.05615	6.0
313.06985	4.9
352.63699	3.9
377.06570	4.9
379.08322	8.3
381.10065	4.6
391.08060	5.4
393.06085	7.2
407.07721	14.1
409.09241	6.8
419.07999	5.8
425.08643	25.5
451.10019	8.5
535.12183	9.0
559.12329	6.5
577.13361	84.1
579.15295	35.0
697.14740	5.4
715.16217	6.3
737.79590	4.2
771.38629	4.6
783.64960	4.2
865.19116	9.1
867.20996	32.1
1010.17078	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	1155.276
Annotation	Unknow
Peak:m/z	Relative Intensity
111.04420	6.3
123.04428	59.2
127.03910	32.8
135.04419	53.6
139.03877	43.0
147.04468	3.1
149.02324	5.3
151.03952	21.4
163.03935	50.8
179.03392	5.7
191.03375	5.2
201.05455	6.1
203.03368	5.4
218.78600	3.1
229.04961	5.7
231.06720	3.9
233.04401	5.8
241.04980	3.3
245.04428	83.3
247.05992	75.5
257.04419	18.6
259.05981	16.7
261.07568	4.4
269.04620	4.3
271.05902	29.1
275.05469	22.1
283.06073	6.0
287.05484	24.4
289.07010	32.6
291.08331	3.4
311.05350	3.7
330.08414	3.5
361.06924	5.1
377.06464	3.6
379.08017	20.9
391.08124	4.2
393.05902	5.0
397.09415	5.2
407.07547	14.9
409.09302	13.9
419.07443	6.6
425.08594	18.2
437.08685	10.4
451.10165	7.2
535.12549	5.9
559.12036	17.1
577.13361	100.0
579.15198	25.1
581.42969	3.1
713.14050	4.3
715.16412	7.1
865.20233	5.7
867.20313	20.5
985.22192	3.6
1003.22644	5.8
1044.13062	3.9
1101.32410	3.7
1133.22131	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	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
56.05052	0.1
58.06601	5.8
59.07085	0.2
59.07383	5.1
66.41861	0.1
68.05027	0.2
70.06590	100.0
72.04745	0.1
73.08918	0.1
74.02422	0.2
84.08138	0.7
108.12582	0.1
116.07085	24.9
116.10719	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	0.1
56.96572	0.3
58.06601	0.1
59.07363	0.2
60.05684	0.1
68.05026	0.2
70.06592	100.0
74.02457	0.1
74.06077	0.1
98.06041	0.1
98.07154	0.2
105.28537	0.1
116.07086	24.7
116.10716	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	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07269	0.6
54.73705	0.7
57.03440	1.2
57.07080	1.6
62.44963	0.6
65.19459	0.6
70.06593	18.9
71.04991	1.3
71.08630	14.9
74.06080	21.8
88.07629	16.5
92.17771	1.3
94.63754	0.6
96.61195	0.9
99.08100	2.9
109.07177	0.7
116.07088	6.3
116.10726	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	116.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52254	0.6
56.96568	1.0
57.03422	1.1
57.07067	3.2
60.58699	0.6
64.31161	0.6
65.15678	0.6
68.18623	0.6
70.06590	44.1
71.04992	0.7
71.08262	0.7
71.08632	15.5
74.06077	18.0
75.05598	0.7
78.26686	0.6
88.07623	16.1
94.95226	0.7
99.08099	2.5
116.07080	13.8
116.10722	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	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86234	0.1
56.05037	0.8
56.96569	20.9
57.03434	0.2
58.06602	11.3
59.07384	8.6
60.08173	0.1
70.06590	62.3
71.95272	0.2
74.02422	1.2
84.01617	0.2
84.04507	0.2
84.08132	1.2
84.29635	0.1
86.00422	0.3
86.06070	0.2
88.07595	0.1
93.02094	0.2
95.00932	0.2
97.96819	0.7
97.99172	0.3
98.06059	0.2
98.07151	1.1
101.08396	0.2
102.02196	0.1
109.16162	0.1
116.07082	15.0
116.10718	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	116.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	44.7
57.03430	2.8
57.93574	16.4
58.02950	2.5
58.06593	0.6
59.05005	1.0
59.06108	3.8
62.67669	0.5
69.03430	7.3
71.04977	3.7
71.95249	3.9
72.04536	0.6
72.08128	0.6
73.02904	2.5
74.93822	1.0
75.05593	4.8
76.04006	29.8
76.07634	2.8
94.78269	0.6
98.97586	100.0
98.98344	3.0
99.04453	3.0
116.97295	21.8
116.98612	77.1
117.02197	0.7
117.05519	4.4
117.06987	3.9
117.10252	3.5
134.99658	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
89.25483	1.3
91.05460	10.8
95.04991	10.3
103.17442	1.4
107.04956	60.5
111.04413	1.7
119.04936	90.4
121.02839	2.4
123.04443	11.8
125.02319	2.5
133.06448	2.0
135.04402	2.4
137.05959	9.3
139.03848	1.4
141.05469	7.9
145.06506	1.7
147.04416	57.2
147.05579	2.6
151.03821	1.3
153.05466	15.8
153.06638	2.0
161.05936	1.7
163.03880	22.4
165.05476	28.3
165.06776	2.6
167.48383	1.4
171.04381	3.1
177.05545	2.1
181.04950	23.5
181.06476	5.4
182.07182	2.7
183.08006	1.7
193.04970	2.9
195.08086	1.6
205.04904	1.6
211.07321	1.6
212.04689	1.4
213.09105	7.1
217.08662	2.2
226.06488	1.3
227.06982	9.1
229.08450	10.4
237.05592	2.1
241.08528	22.8
245.08051	30.9
257.08008	13.9
258.05301	1.5
259.06085	5.1
259.09665	15.5
269.08099	22.6
271.06039	2.5
271.09741	1.6
273.07764	4.2
283.06036	2.4
285.07355	9.5
287.09109	100.0
289.05450	1.3
297.07446	5.1
299.09201	5.0
303.08603	1.4
311.09235	2.3
315.08698	3.2
345.07565	5.2
363.12369	1.7
377.10245	6.1
391.11807	16.3
395.11096	7.3
405.09659	5.1
413.00870	1.8
419.11362	6.8
421.09027	2.8
437.12195	17.2
449.11826	1.8
479.13528	1.8
499.37814	1.5
531.16193	12.2
553.11731	2.4
573.17548	45.0
591.18427	1.7
657.54846	1.5
723.19952	1.9
741.22333	2.8
859.22607	2.5
877.27106	9.5
891.24652	7.2
1027.29004	7.4
1163.35059	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.9
53.04163	0.6
54.20795	0.6
57.10258	0.6
77.03937	6.1
88.16415	0.7
91.05483	6.5
95.04967	15.2
105.04505	7.3
111.82784	0.6
118.06537	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
66.57108	0.7
72.08173	0.9
72.13355	0.8
76.03995	2.0
77.03921	1.8
77.04334	1.7
84.32708	0.8
91.05478	7.4
95.04973	13.6
97.52174	1.0
102.39949	0.7
105.04507	5.8
114.66695	1.0
118.06541	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02401	1.3
53.03960	12.0
55.01870	1.0
59.40691	0.8
67.08078	0.7
72.08137	1.3
76.03996	4.7
77.03926	5.6
77.04346	3.9
81.03408	1.5
88.07613	0.9
95.04964	35.0
98.91411	1.0
105.04523	18.8
113.19843	0.9
118.06541	100.0
118.08662	4.0
121.73212	1.1
137.89178	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02390	1.7
53.03956	12.9
53.50704	1.1
55.15046	1.1
57.05543	1.0
58.02967	1.8
58.06587	1.2
72.08148	2.8
75.05611	1.4
76.04009	13.1
77.03937	4.0
77.04305	9.2
78.01261	1.4
81.03448	1.5
88.07619	2.7
95.04967	39.7
100.07697	1.4
105.04512	20.3
113.48013	1.2
118.06539	100.0
118.08674	6.9
135.77931	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03970	10.4
54.70349	0.8
61.60006	1.2
68.67475	1.0
72.08135	1.6
76.03996	4.2
77.03917	8.4
77.04349	5.5
84.50561	1.2
88.07593	1.4
95.04961	40.4
95.05531	2.1
105.04509	20.9
107.75097	1.1
110.53280	1.1
118.06541	100.0
118.07286	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.36589	1.1
53.03957	10.7
54.40400	1.2
62.81025	1.3
75.70505	1.2
77.03922	7.4
91.05476	2.6
95.04960	34.1
105.04504	13.6
106.56094	1.5
118.06537	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03956	7.9
61.60214	0.7
62.25052	0.7
75.01506	0.8
77.03932	9.4
95.04961	31.4
103.18581	0.9
105.04511	14.3
118.06535	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02394	1.2
53.03951	8.0
67.34946	0.9
68.99757	1.0
77.03934	8.6
91.05466	4.7
95.04406	1.7
95.04971	28.3
105.04505	13.8
118.06537	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	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
54.01847	0.7
72.08147	1.5
91.05462	9.7
95.04978	4.0
100.02489	0.8
105.04521	1.3
117.05759	1.1
118.06541	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03955	12.0
65.59129	1.2
67.44701	1.4
72.08141	1.3
77.03955	10.7
79.37827	1.2
81.18910	1.2
92.18529	2.5
95.04966	37.5
95.19965	1.2
95.76513	1.4
100.48010	1.5
105.04515	17.4
118.06541	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03955	12.0
55.46453	1.0
67.89303	1.2
77.03930	14.0
95.04965	40.6
103.44818	1.3
105.04509	20.0
118.06538	100.0
118.07269	3.6
134.67802	1.3
134.68900	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.05521	5.2
56.96572	3.4
57.05817	0.3
58.06604	8.5
58.06881	0.3
58.50546	0.4
58.99869	0.4
59.05016	0.2
59.07386	8.8
67.51068	1.2
70.01336	0.4
70.06583	0.2
72.08157	47.5
76.07647	0.4
76.51621	0.2
77.00891	0.2
79.01851	4.0
82.01444	4.1
88.02380	1.9
95.04971	0.4
99.97981	0.2
100.02480	7.3
118.03553	1.7
118.08649	100.0
118.12272	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	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
52.09415	0.1
58.06604	8.2
59.04761	0.1
59.05008	1.6
59.07385	8.5
60.07906	0.1
60.08175	2.2
82.01443	1.0
100.02503	1.6
101.28042	0.1
118.08646	100.0
118.12283	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	1182.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
86.01538	0.3
91.05451	2.2
93.07034	0.6
95.04959	2.2
95.08614	0.3
97.06529	0.6
99.04482	0.3
105.07052	3.2
107.04908	0.8
107.08590	0.4
107.59815	0.3
109.06512	4.4
109.98687	0.3
111.04381	0.3
111.08055	0.6
113.06010	2.6
115.05459	0.3
117.06984	3.1
119.04931	1.2
119.08532	1.4
121.06485	1.6
123.04414	3.8
123.08064	1.1
125.05976	1.9
127.07519	0.4
128.06204	0.5
129.07013	2.3
131.04869	0.5
131.08545	1.8
133.06458	2.0
135.08032	1.7
137.05957	1.3
139.07510	1.7
141.05495	0.7
141.06976	1.4
143.08554	2.9
145.06465	5.1
145.10110	0.7
147.08043	2.5
149.05969	0.5
151.07536	1.2
153.06993	0.7
155.07130	0.3
155.08522	2.9
157.06476	2.0
157.10048	1.9
159.08012	2.7
161.05930	2.7
161.09587	0.5
163.07474	1.5
165.07014	1.7
166.07875	0.4
167.08505	2.5
169.06447	1.5
169.10136	2.6
171.08043	2.8
171.11638	0.5
173.05922	0.5
173.09645	1.2
175.07536	1.1
177.09119	0.6
179.08504	2.3
180.09297	1.1
181.08557	1.3
181.10097	5.3
183.08032	3.7
183.11674	2.4
185.09605	1.8
187.07515	1.5
187.11081	0.4
189.09100	0.5
191.06992	0.4
191.08545	0.6
192.09367	0.6
193.10123	4.0
194.07222	0.3
194.10919	1.4
195.08012	1.5
195.11678	4.3
196.08701	0.3
197.08032	0.5
197.09616	2.6
197.13261	1.2
198.10475	0.3
199.07495	1.6
199.11172	1.9
199.16832	0.3
201.09081	1.1
203.06857	0.5
203.08617	0.4
203.10498	0.4
204.09370	1.7
205.10153	1.7
206.10878	1.3
207.08026	0.4
207.11714	4.0
208.08806	0.5
209.09621	4.3
209.13248	4.4
210.11171	1.3
211.07637	0.6
211.11150	4.2
211.14743	0.4
213.09088	0.4
213.12735	1.8
215.07100	0.3
215.10635	0.4
217.08464	0.4
218.10860	0.6
219.11693	3.8
221.09702	3.5
221.13127	2.4
222.10381	1.8
223.11171	5.8
223.14775	1.3
224.12004	0.4
225.09148	1.2
225.12677	3.6
227.10620	1.1
227.14235	0.4
229.12126	0.4
231.11705	0.5
232.08736	0.4
233.09724	0.4
233.13240	2.0
234.10362	0.5
235.11174	5.1
236.11885	2.2
237.09016	1.1
237.12723	7.8
239.10660	3.0
239.14351	1.4
241.08611	0.3
241.12236	4.4
241.15723	0.3
246.10454	0.6
247.11133	2.5
248.11916	0.4
249.12698	3.9
250.09801	0.4
251.10590	1.9
251.14246	3.1
253.12167	6.5
255.09961	0.5
255.13768	1.9
257.11716	0.5
257.15347	0.3
261.12671	2.3
263.10522	0.4
265.12180	7.1
267.10815	0.4
267.13806	4.9
269.11707	0.3
269.15265	1.1
271.13287	1.0
277.12186	2.3
279.13724	4.2
281.11838	1.1
281.15225	0.4
283.13373	2.5
285.14868	0.6
289.12347	0.5
295.10071	0.6
295.13278	12.0
297.11996	0.4
297.14926	3.3
301.14481	0.6
307.13275	2.7
313.14349	5.9
315.13278	5.9
316.13626	2.3
325.14313	11.3
337.14236	0.5
343.15396	4.4
355.15414	2.8
361.16357	0.4
367.15466	0.5
373.16614	0.9
385.16437	3.9
403.17627	2.3
415.17352	2.5
445.18466	5.9
463.19196	0.4
487.19339	3.3
505.20596	3.5
523.21918	0.6
547.21527	1.8
565.22791	15.1
583.23663	0.7
591.27618	0.4
592.28333	0.5
600.26355	100.0
1070.70728	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	1185.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
82.91327	0.2
105.77139	0.2
239.02332	0.2
245.75400	0.3
354.16074	0.3
402.24384	0.2
431.18442	1.0
433.23834	1.2
446.20792	0.4
447.21832	2.1
449.23544	0.3
459.21902	1.4
460.22519	7.1
461.23300	6.1
462.23309	0.3
473.23285	1.3
476.25562	0.5
487.24881	1.2
489.26645	0.3
491.24463	0.4
492.25656	1.9
505.21970	5.2
515.24640	0.3
519.23792	0.5
533.25458	46.8
534.26001	0.4
547.27075	0.4
550.25238	0.3
551.26111	0.4
561.24799	1.1
564.23749	1.8
565.28156	2.1
575.26202	0.3
578.25348	0.4
593.27576	100.0
664.03101	0.3
731.03595	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19703	0.5
54.66437	0.5
58.99864	2.1
59.99947	7.8
64.13937	0.6
64.55987	0.5
66.69009	0.4
78.00978	2.3
82.01463	0.9
82.99842	3.0
83.01507	68.6
84.93226	0.6
100.02496	2.3
101.00893	42.3
101.02560	100.0
118.03565	0.6
119.01920	80.6
119.03599	19.3
124.04169	0.8
137.02948	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	119.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
55.93127	0.2
56.96567	1.5
57.03439	0.3
58.06613	0.3
59.06931	0.3
65.03619	0.3
65.03941	3.7
67.02995	0.2
70.98118	0.2
73.02933	1.1
73.08483	0.2
76.07618	0.2
78.03429	0.2
83.01512	0.9
87.00878	0.2
89.00719	0.2
91.05479	100.0
92.02478	1.1
98.97581	0.9
101.00918	1.2
101.02553	1.9
101.07957	0.4
113.81289	0.2
116.98526	0.2
119.01899	2.8
119.03590	12.0
119.04930	28.5
119.06823	0.7
119.08569	0.4
119.12816	0.2
119.83602	0.2
128.02313	0.3
137.02946	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	119.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57867	0.3
55.01868	0.4
55.05504	0.7
56.96565	0.5
57.03426	0.7
59.05001	3.2
59.06134	0.4
65.03947	9.1
67.02985	0.8
73.02898	1.4
73.08482	0.4
74.61070	0.4
83.01526	0.5
91.05479	100.0
92.02496	2.8
92.18497	0.4
101.02533	3.2
101.06025	0.5
117.07056	0.7
118.59470	0.4
119.01895	1.7
119.03561	52.3
119.04920	47.9
119.06024	3.2
119.06873	2.3
119.08503	6.6
128.34608	0.4
137.04601	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.05517	3.4
55.53653	0.3
56.84322	0.3
57.03441	0.5
59.05005	1.8
65.03944	5.3
67.27673	0.4
70.88353	0.3
72.39555	0.3
73.06547	0.4
75.09826	0.4
82.62577	0.3
85.53662	0.4
89.70922	0.4
91.05477	100.0
95.05045	0.5
101.06003	3.6
119.04935	56.4
119.06848	2.2
119.08560	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.6
57.03452	0.6
59.05026	0.5
60.56675	0.4
63.02725	0.9
64.20237	0.4
65.03947	8.5
78.03459	0.6
91.05479	100.0
104.31154	0.5
117.07005	0.6
119.04937	75.4
119.06799	2.1
119.08555	7.1
121.06461	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.9
59.19841	0.2
63.02373	0.2
63.41432	0.2
65.03944	6.7
73.02908	0.3
83.08618	1.3
85.43479	0.2
91.05479	100.0
95.21096	0.2
102.80053	0.2
119.04937	49.0
119.06801	1.2
119.08555	2.5
132.87326	0.2
139.27516	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
60.28205	0.6
60.60860	0.7
65.03941	9.7
86.94723	0.6
91.05477	100.0
96.27372	0.8
101.97255	0.8
119.04936	84.7
119.08581	4.0
130.99106	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.87433	0.7
55.32764	0.8
56.56792	0.9
65.03943	9.0
79.04116	1.0
91.05479	100.0
92.17892	1.0
97.18325	0.9
103.05528	1.1
117.07047	1.9
119.04941	84.5
119.08572	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
63.08705	0.2
65.03949	2.1
69.27564	0.2
84.27195	0.2
91.05479	100.0
112.99555	0.2
114.90214	0.2
117.07012	0.6
119.04935	26.2
119.06815	0.6
119.08577	7.7
119.09411	0.3
128.32002	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
54.66738	1.6
65.03952	3.4
67.48443	1.6
70.72373	1.8
74.45647	2.0
86.75456	1.8
91.04908	3.3
91.05479	100.0
100.35695	1.8
104.30217	2.0
106.95454	2.2
119.04937	55.6
119.08590	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
59.06124	3.0
59.06377	0.3
65.03921	1.4
69.22964	0.4
77.03909	0.4
79.05491	3.6
79.05880	0.3
83.09857	0.5
87.05591	0.5
89.71819	0.4
91.05474	42.8
93.07023	1.9
95.04913	0.6
96.05278	0.6
96.62856	0.4
103.05459	5.5
104.06235	2.7
105.04522	0.6
109.06509	0.7
115.05453	1.8
117.07011	12.1
119.04922	4.6
119.06077	2.0
119.06817	3.3
119.08569	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50500	0.2
53.03957	0.3
54.71453	0.2
57.13469	0.3
59.06128	0.4
65.03934	0.7
66.02928	0.2
67.03433	0.3
68.16561	0.3
77.03541	0.3
79.05488	2.0
83.45462	0.3
83.46006	0.3
91.05484	30.6
93.07027	1.6
95.04981	0.6
96.05286	0.5
103.05478	3.9
104.06255	3.3
110.26845	0.3
115.05482	0.6
117.07019	8.9
119.04947	1.9
119.06094	1.4
119.06867	2.9
119.08582	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.58532	0.3
52.19543	0.3
55.19061	0.3
59.99902	0.2
63.94168	0.3
64.92549	0.3
65.03928	0.7
78.04704	0.3
79.05489	3.9
91.05475	43.9
93.07035	3.0
95.04967	0.8
103.05463	4.4
104.06240	3.8
105.04435	0.3
109.06502	1.4
110.00453	0.3
115.05437	1.9
117.06150	0.6
117.07005	14.6
119.04959	4.0
119.06847	3.9
119.08568	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	2.3
81.00684	0.4
86.92619	0.5
91.05479	27.8
93.07024	1.9
95.04987	0.6
96.81388	0.5
103.05451	3.5
104.06258	2.3
115.05450	0.6
117.07022	8.8
119.04910	2.0
119.08574	100.0
121.68143	0.4
134.16051	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	0.4
55.88413	0.3
59.06129	1.2
65.03937	0.4
77.03934	0.4
79.05500	2.7
91.05482	43.7
92.18496	0.6
93.07043	2.3
95.04947	1.3
96.05263	0.3
103.05476	4.7
104.06239	3.9
105.04496	0.3
109.06491	0.6
115.05439	1.4
117.07019	13.3
119.04949	4.2
119.06889	2.7
119.08578	100.0
119.90880	0.4
137.54898	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.23019	0.3
59.06129	2.5
65.03928	0.5
66.15460	0.3
71.06641	0.4
78.04700	0.4
79.05488	1.6
82.46298	0.3
87.05583	0.6
91.05474	29.7
93.07024	1.7
95.04970	0.7
96.05281	0.5
103.05458	3.2
104.06258	2.7
115.05440	1.4
117.07014	9.7
119.04930	2.2
119.06065	2.0
119.06821	2.3
119.08570	100.0
121.06485	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.79089	0.4
51.92934	0.4
52.54303	0.4
57.07084	5.8
64.68841	0.4
65.03932	1.1
75.27204	0.4
77.03979	0.5
79.05472	2.0
84.53802	0.4
86.53233	0.5
91.05478	36.0
93.07048	1.0
95.04945	0.9
96.05296	0.5
103.05460	2.6
103.06205	0.5
104.06241	2.6
115.05386	0.5
117.07009	10.0
119.04955	10.1
119.06860	3.8
119.08572	100.0
132.28285	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
62.95956	0.4
65.03942	0.8
79.05466	2.3
91.05476	42.9
92.60442	0.5
92.73959	0.5
93.07030	2.2
95.04959	0.6
96.05322	0.7
102.54019	0.5
103.05437	4.7
104.06274	3.8
105.38067	0.5
108.98198	0.4
109.06525	0.8
115.05448	0.8
117.07005	21.9
119.04932	2.4
119.06857	3.7
119.08570	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.63240	0.3
59.06153	0.4
75.24250	0.3
75.63056	0.3
79.05482	2.2
91.05481	26.6
93.07014	1.4
95.04983	0.5
103.05479	2.6
104.06232	3.0
112.78232	0.3
115.05461	0.5
117.07012	6.9
119.04880	1.4
119.06846	3.2
119.08575	100.0
134.97025	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.58029	0.3
53.03940	0.5
59.06126	3.2
65.03918	0.5
68.47279	0.3
79.05482	3.6
80.69671	0.3
83.07995	0.3
91.05474	43.1
93.07029	3.1
95.04956	0.6
96.05249	0.4
103.05463	5.5
104.06256	4.1
105.04518	0.4
106.04846	0.4
109.06527	0.5
115.05446	0.8
117.07018	12.7
119.04951	4.6
119.06781	3.1
119.08569	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.77144	0.3
53.03964	0.4
56.15142	0.5
65.03941	1.8
74.62224	0.4
79.05492	2.4
91.05477	43.0
93.07014	1.7
95.04961	0.9
96.05299	0.8
103.05471	2.9
104.06245	2.5
106.04883	0.6
109.06561	0.8
117.07008	11.6
119.04928	11.0
119.06839	3.8
119.08572	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	1193.271
Annotation	Unknow
Peak:m/z	Relative Intensity
90.94785	0.3
91.39088	0.3
93.93970	0.3
137.02344	0.5
151.03911	7.4
167.03426	0.7
180.19510	0.3
190.13078	0.3
298.67542	0.3
381.49442	0.4
431.11401	1.7
445.09003	0.4
449.08664	1.2
525.12030	0.3
536.11072	1.2
539.09888	0.3
551.09515	2.7
552.10413	1.3
553.11487	2.6
554.11725	0.6
564.10486	1.4
565.11292	4.1
567.09296	1.2
581.10712	7.3
582.11615	17.4
597.13910	100.0
738.03961	0.3
915.47229	0.4
1113.82068	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
57.37477	0.2
65.83386	0.3
77.03943	0.4
81.53201	0.3
84.58993	0.3
85.00875	0.3
86.22063	0.3
89.79411	0.3
91.05478	1.7
93.07041	7.0
94.21009	0.3
94.39676	0.3
95.04944	0.7
103.05467	27.0
118.06540	0.4
120.08099	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	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
54.05508	0.7
65.03951	18.9
65.60851	0.6
79.05495	6.7
81.04536	2.1
91.05487	6.5
93.03407	6.5
93.07046	20.1
93.07595	1.5
95.04978	3.6
99.88575	0.8
103.05492	2.8
105.04545	0.9
105.07031	21.1
106.07829	1.2
111.04444	5.2
119.08575	3.7
120.05634	1.2
121.02870	100.0
121.03951	11.3
121.06483	8.8
121.07581	5.7
121.09348	1.3
121.10138	37.4
121.11014	1.5
123.08067	4.2
133.07600	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
53.39992	0.2
54.83789	0.2
55.01865	0.9
65.03947	14.0
65.78532	0.2
67.05494	0.9
68.92262	0.2
68.99775	0.3
71.01334	0.2
79.05495	2.5
91.05489	3.3
93.03403	1.2
93.07043	7.4
95.04971	1.6
95.14178	0.2
103.05473	1.4
105.04523	0.8
105.07027	4.1
111.04441	12.9
113.66907	0.2
119.08480	0.2
121.02862	100.0
121.03963	22.9
121.06488	9.0
121.07559	0.9
121.08408	1.3
121.10133	7.0
123.08027	0.3
133.07614	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	121.065
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02391	0.3
51.51236	0.2
53.03957	3.0
55.01863	0.3
55.96258	0.3
57.19231	0.2
65.44407	0.2
67.85228	0.2
69.25636	0.3
77.03918	3.4
79.05499	0.3
91.05478	35.8
93.07043	9.9
93.67084	0.3
95.04967	8.9
103.05453	1.3
105.03384	2.2
105.04505	3.9
105.06978	0.3
121.02872	1.4
121.06498	100.0
130.17607	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	121.065
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.4
53.03936	2.5
56.33286	0.4
63.12701	0.4
77.03915	3.0
91.05473	34.4
93.07031	8.8
95.04951	9.0
103.05441	0.5
105.03387	3.2
105.04506	3.7
118.21700	0.4
121.06492	100.0
136.66585	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
52.72758	0.2
53.03958	1.5
55.05519	4.0
61.09715	0.3
65.03930	0.4
67.05505	1.2
74.55818	0.3
75.95872	0.2
77.03938	1.5
78.45522	0.3
79.05492	16.7
80.06321	0.4
81.04553	0.6
81.07061	2.2
87.05103	0.3
87.61446	0.3
91.05475	17.7
93.07040	100.0
95.04971	5.1
103.05463	1.9
105.04514	3.1
105.07021	18.3
106.07816	1.5
108.88303	0.3
119.08567	3.6
120.89314	0.3
121.02895	0.7
121.04012	0.7
121.05157	0.5
121.06451	2.5
121.07639	2.1
121.10132	53.8
123.08038	2.3
133.07610	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03967	1.4
57.25006	0.7
57.92018	0.6
65.03929	3.5
67.95142	0.7
68.76896	0.7
77.03929	1.5
79.05502	13.3
91.05486	11.1
93.07045	27.4
95.04985	6.2
103.05468	6.8
105.04527	1.6
105.07031	63.8
106.07794	3.7
107.29802	0.7
109.95303	0.8
111.04392	1.0
119.08555	9.6
120.05748	0.9
121.02863	13.6
121.04012	3.2
121.06507	23.5
121.10138	100.0
123.08055	10.2
133.07607	8.5
137.13939	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05505	1.0
56.15967	0.7
59.07932	0.7
65.03921	0.8
77.03953	1.3
77.96666	0.7
79.05498	17.1
81.04523	1.8
91.05489	10.3
93.07040	46.3
95.04957	5.8
95.65035	0.6
103.05459	7.0
105.04466	3.8
105.07028	58.7
106.07776	2.9
117.52611	0.7
119.08570	9.4
120.05595	0.8
121.02868	1.7
121.03967	1.8
121.06479	19.8
121.07594	4.0
121.10134	100.0
123.08047	12.8
123.46238	0.7
126.58091	0.8
133.07620	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	1219.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05452	0.5
92.17844	0.3
93.07056	1.0
95.04952	0.3
105.07023	1.0
107.04939	0.4
108.69940	0.3
109.06511	1.2
119.08530	1.6
121.06506	0.4
129.06978	0.9
131.08562	1.7
133.10126	1.0
141.07019	0.3
143.08586	1.3
145.06462	0.5
145.10110	2.0
147.08023	0.5
148.56903	0.2
149.09579	0.3
151.90083	0.2
155.08533	1.0
157.10143	1.1
159.08051	0.5
159.11639	0.4
161.09636	1.0
165.05699	0.3
165.07007	1.1
166.07770	0.3
167.08577	0.5
169.10124	2.9
171.11742	0.6
173.09641	0.4
175.11151	0.3
178.07771	0.5
179.08527	3.6
180.09381	1.1
181.10011	1.8
183.08115	0.5
183.11694	1.5
187.11198	1.2
191.08524	1.4
192.09319	2.0
193.10123	3.9
195.11693	5.3
196.12497	0.4
197.09628	1.6
197.13257	0.9
206.10909	7.4
207.11574	0.3
209.13261	0.5
210.10338	0.3
211.11183	1.0
211.14821	2.9
213.12776	0.2
221.13234	22.8
222.14110	0.3
223.11220	1.1
225.12791	0.3
227.14336	0.3
237.12773	1.2
237.16400	1.0
239.14282	13.6
251.17972	0.9
253.15961	0.4
255.17337	0.4
257.15356	0.5
261.12491	1.2
264.15067	0.3
269.19049	1.0
279.09024	0.2
279.17444	4.0
281.15399	0.3
297.18524	3.8
299.16537	1.7
315.19632	1.5
317.17487	0.4
321.14578	31.9
331.18842	0.4
337.17682	0.5
339.15717	1.7
339.19449	0.4
357.20587	1.2
375.21573	0.3
379.18802	3.2
381.16672	27.3
397.19983	1.0
417.22598	0.5
439.20911	8.3
443.18152	0.5
499.22919	18.5
503.20340	5.4
561.24225	1.7
621.26660	100.0
640.62775	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	122.0602
Annotation	Benzamide
Peak:m/z	Relative Intensity
53.03954	1.1
54.03474	2.1
56.60454	0.4
56.96569	35.0
58.50541	8.3
58.65911	0.4
61.00797	0.5
62.46690	0.4
67.51068	19.0
70.01331	22.3
70.06545	0.4
76.51586	8.5
79.01853	100.0
79.05489	36.4
80.02096	0.4
81.03405	1.0
81.04536	4.6
81.52127	0.7
82.05321	2.6
86.02640	0.5
88.02367	56.0
89.37671	0.4
90.52630	8.3
94.07383	0.7
95.04971	5.1
95.06077	2.4
97.02877	3.2
99.53163	2.9
104.07095	1.6
105.03386	57.0
105.04539	1.8
122.06036	58.0
122.07147	47.7
122.07941	1.7
122.09615	0.9
122.10516	0.7
132.02492	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	122.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
56.96564	3.9
57.98298	0.8
58.50540	3.0
67.35596	0.7
67.51064	1.6
70.01327	4.3
76.51571	0.8
79.01865	16.4
79.05499	69.5
81.04505	0.8
86.26530	0.7
88.02384	8.9
90.52629	0.8
95.04960	4.5
105.03397	100.0
122.06030	89.0
122.07114	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	122.0602
Annotation	Benzamide
Peak:m/z	Relative Intensity
53.03947	1.5
63.43786	0.6
69.43249	0.7
69.69022	0.6
77.03919	1.5
79.01852	0.7
79.05495	70.3
84.36128	0.6
85.07345	0.6
88.02376	0.7
95.04967	7.0
105.03393	100.0
122.06025	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0602
Annotation	Benzamide
Peak:m/z	Relative Intensity
51.02367	0.6
52.64532	0.6
52.95930	0.6
54.03505	0.7
54.98029	0.6
56.96572	12.4
58.50531	3.6
67.51058	6.1
70.01333	5.6
75.44280	0.7
76.51575	1.2
77.03905	1.3
79.01860	31.0
79.05495	68.8
81.04527	1.6
82.05326	1.4
83.43587	0.6
88.02362	20.6
90.52639	1.5
95.04976	6.9
95.06066	1.5
97.02853	0.8
105.03391	100.0
105.04530	3.6
122.06017	95.3
122.07114	22.6
133.02144	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	122.0602
Annotation	Benzamide
Peak:m/z	Relative Intensity
50.01602	0.5
51.12717	0.5
54.03462	1.2
56.96572	8.7
58.50531	2.9
61.22322	0.6
67.51062	4.4
68.77646	0.6
70.01331	5.2
76.51594	0.8
77.03916	1.1
79.01860	26.8
79.05494	66.3
81.04533	3.1
82.05310	2.5
88.02378	16.7
88.07922	0.6
90.52624	1.0
95.04958	7.0
95.06076	1.2
97.02912	0.9
99.53191	0.7
105.03392	100.0
105.04516	3.9
107.04936	3.3
122.06021	88.7
122.07131	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0603
Annotation	Benzamide
Peak:m/z	Relative Intensity
50.70158	0.2
53.03942	1.1
64.57526	0.2
68.42976	0.3
77.03933	0.6
84.19072	0.2
93.27654	0.3
95.04961	40.3
105.04504	1.2
111.30772	0.3
122.06019	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	26.4
58.50541	4.5
58.99860	2.4
61.00813	0.8
67.51073	10.3
68.01240	1.9
70.01333	7.4
70.51503	3.7
75.88889	0.5
76.51598	4.2
77.01753	0.9
79.01859	28.1
79.52042	10.8
82.01448	77.3
82.75684	0.6
83.00774	0.7
84.01524	0.7
85.52085	0.6
88.02374	17.6
88.51593	1.7
88.52081	1.0
88.52576	6.4
95.04965	4.8
97.02888	1.1
97.52077	0.9
100.02482	100.0
102.02908	0.5
111.61302	0.5
118.02718	0.8
118.03516	16.3
123.04360	0.8
123.05493	0.7
125.80040	0.5
136.90161	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.9
57.15912	0.4
58.99864	2.0
59.85967	0.3
72.08971	0.4
77.00916	0.5
77.02959	0.3
79.01849	1.8
79.52037	0.6
82.01445	78.6
85.99806	0.3
88.02367	0.7
95.04968	2.6
100.02478	100.0
100.89904	0.4
111.53468	0.7
117.81618	0.4
118.03511	16.6
123.03951	1.3
123.05492	0.3
138.59157	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	1.9
77.46673	0.4
82.01445	75.6
88.62648	0.4
95.04957	10.2
100.02480	100.0
104.29900	0.4
118.03518	16.7
123.04395	4.1
123.05507	0.5
130.80452	0.4
142.96748	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03947	0.4
67.05514	2.2
77.03938	3.2
77.18130	0.3
84.55965	0.3
85.47568	0.3
95.04967	7.0
97.62439	0.3
103.93095	0.3
105.03384	4.7
105.04511	1.4
114.12697	0.2
123.04422	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	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02377	1.1
53.03944	1.2
65.39531	0.2
67.05500	2.4
77.03933	3.3
80.92865	0.2
82.24703	0.2
93.69244	0.3
95.04964	22.6
105.03393	5.5
105.04513	1.3
113.05599	0.2
123.04419	100.0
123.08037	0.9
131.43600	0.2
143.68567	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	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02385	0.7
53.03959	3.0
55.86543	0.1
58.70914	0.2
64.17760	0.2
65.03933	0.2
66.69312	0.2
66.92485	0.2
67.05511	1.0
71.44286	0.2
74.34687	0.1
75.92797	0.2
77.03934	3.3
81.03404	0.2
95.04965	100.0
105.04507	4.5
112.46457	0.2
123.04421	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02381	0.3
53.03756	0.1
53.03959	1.6
55.01871	0.3
56.47337	0.1
56.96582	0.2
58.92350	0.1
64.02319	0.1
65.03918	0.2
67.05496	2.3
77.03922	1.1
77.36672	0.1
78.03447	0.6
79.01833	0.1
79.05512	0.2
79.52016	0.1
80.05017	11.6
81.07051	0.3
82.01434	2.0
89.41681	0.1
95.04962	45.2
96.04492	3.6
100.02473	2.6
101.58883	0.1
105.03419	0.2
105.04510	1.7
106.02920	1.0
118.03513	0.6
123.04458	23.1
123.05552	100.0
124.03939	0.9
142.12703	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02390	0.7
53.03950	2.7
54.60428	0.3
55.01873	0.6
55.05519	12.0
56.96570	0.7
57.07077	0.6
65.03947	2.2
67.05507	62.3
68.01226	0.4
71.57436	0.3
77.03921	3.4
79.01865	0.5
79.05493	4.1
79.52031	0.4
80.05006	0.6
80.06275	0.7
81.03398	0.5
81.07057	18.2
81.07520	0.7
88.02375	0.6
91.05479	0.9
92.18476	0.4
93.07035	12.7
95.04328	0.8
95.04965	51.5
95.08603	100.0
100.02455	0.5
103.05502	0.4
105.03388	2.3
105.04510	3.4
105.06999	2.4
107.04957	0.4
107.63586	0.3
108.05722	3.8
113.82722	0.3
121.06519	0.5
123.04427	68.7
123.05500	5.3
123.08063	33.5
123.11694	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76600	0.5
54.31495	0.4
55.47081	0.5
56.96570	0.5
60.83997	0.5
65.94077	0.4
78.03437	0.5
80.05020	6.6
82.01455	0.6
83.01473	3.8
96.04494	4.9
100.02473	3.5
101.00877	7.3
101.02547	11.7
107.03242	1.0
108.89902	0.5
119.01912	13.4
119.03609	2.4
124.03943	100.0
124.05815	7.1
124.07584	3.7
124.08603	0.7
124.22385	0.6
127.53800	0.6
137.02953	0.9
142.03412	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.7
60.10558	2.1
82.01437	15.2
82.99833	4.9
83.01505	77.9
86.52663	2.2
92.17921	3.4
100.02496	20.8
101.00893	54.0
101.02554	100.0
101.03306	3.1
101.31157	2.3
108.03452	2.6
112.59224	2.5
118.03543	3.0
119.01918	60.5
119.03621	13.8
137.02928	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42960	2.9
55.45247	2.8
77.60355	3.4
80.05031	4.1
82.01458	19.4
82.11902	3.4
83.01509	75.6
96.05288	16.1
100.02472	30.4
101.00899	40.8
101.02550	100.0
102.20408	3.6
114.30410	3.4
119.01908	50.7
119.03610	18.8
124.03948	4.7
124.04793	7.1
127.66646	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	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
50.24187	0.1
50.64625	0.1
53.03942	0.1
62.12879	0.1
67.66357	0.1
68.05036	0.1
76.37363	0.1
78.03473	1.0
80.05019	5.0
92.18485	0.4
93.85892	0.1
96.04494	3.4
120.26653	0.1
124.03951	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	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03942	0.2
61.97352	0.2
78.03463	1.1
80.05020	5.6
81.05808	0.3
83.01530	0.2
96.04486	4.4
96.05287	1.5
99.66470	0.1
101.02532	0.3
112.29592	0.1
124.03950	100.0
124.07552	3.4
135.96342	0.2
140.03415	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	126.022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74445	4.8
56.96577	7.5
57.99540	5.0
58.53617	4.7
62.53984	4.8
64.10477	5.4
72.12483	5.0
82.80509	5.3
84.01215	20.6
84.96018	26.3
85.01527	24.6
86.13876	5.5
88.08213	5.1
91.48196	6.6
102.02219	44.8
103.00638	67.1
103.02571	32.1
108.04475	24.3
121.01661	100.0
126.05542	10.0
139.02695	13.0
144.03255	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	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92153	2.3
58.06586	3.7
60.15720	2.5
60.73967	2.8
67.19230	2.6
70.06599	31.8
71.06098	2.6
74.89248	3.0
82.03739	16.8
82.06562	6.7
100.07625	12.6
110.03211	6.7
110.06017	3.8
110.25562	2.3
111.09200	100.0
128.03450	4.4
128.04274	21.5
128.06207	69.5
128.07100	27.6
128.08052	4.2
128.10727	4.8
128.11806	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	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42847	0.5
58.06591	1.0
58.77858	0.7
59.06129	0.7
69.95470	0.6
70.06590	11.6
70.86704	0.5
79.67651	0.6
85.07667	2.3
86.06061	2.8
87.05601	0.8
87.09226	1.1
100.07574	1.2
100.08711	1.0
111.09203	45.0
128.06216	100.0
128.08182	4.1
128.10974	0.9
128.11809	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	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21333	0.3
51.74954	0.3
52.91191	0.4
54.04309	0.3
56.05041	0.3
58.06607	4.6
59.06115	2.0
60.67191	0.5
65.16463	0.5
67.89283	0.4
68.05025	1.9
70.06593	27.4
74.27229	0.4
75.00327	0.4
82.03741	2.2
82.06567	1.8
83.06119	3.1
84.08173	0.5
85.07667	5.2
86.06065	4.4
86.07201	0.5
86.09721	0.5
87.05596	3.3
87.09217	2.4
95.77671	0.4
98.07153	1.0
99.15199	0.4
100.07623	3.6
100.08730	2.2
110.03185	0.6
110.06052	0.9
110.07202	0.7
111.05593	1.6
111.09200	100.0
128.03471	1.2
128.04288	2.8
128.06221	62.1
128.07068	5.1
128.08070	6.1
128.10777	1.6
128.11829	16.0
144.42839	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	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	5.9
59.06133	0.9
60.67769	0.6
68.05003	0.6
70.06591	11.7
79.18185	0.5
82.06606	0.6
83.06098	2.4
85.07658	3.2
86.06062	5.9
86.07168	0.9
87.05589	1.1
87.09248	1.1
96.37753	0.6
98.07177	1.2
100.07607	1.0
100.08719	3.7
102.71172	0.5
111.09203	47.4
118.76479	0.6
125.87907	0.6
128.06226	100.0
128.07048	5.1
128.08104	7.1
128.10851	1.3
128.11844	6.7
138.49699	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	130.05
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
51.07954	0.1
51.77644	0.1
56.05038	2.4
56.96552	0.1
64.78162	0.1
69.58222	0.1
70.06577	0.9
70.86039	0.1
71.33487	0.1
84.04503	100.0
84.08140	15.6
85.02902	2.7
95.01321	0.2
102.05542	1.9
109.31698	0.1
110.03571	0.1
112.03953	0.3
130.04993	20.1
130.08629	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	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02391	0.3
51.23312	0.2
56.05052	0.2
56.05830	0.3
56.07430	0.2
56.25119	0.2
57.85183	0.2
57.98225	0.2
69.02660	0.2
70.07416	0.2
72.08165	0.2
77.03934	0.2
77.99953	0.3
84.04506	18.3
84.08145	0.3
85.07678	0.2
87.00460	5.4
95.04949	0.4
96.00968	0.9
98.51256	0.5
103.05478	1.6
111.96795	0.3
112.46372	0.2
113.06158	0.2
113.96403	0.9
130.04967	3.7
130.06523	100.0
130.15881	0.3
131.97388	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	130.0864
Annotation	L-beta-Homoproline
Peak:m/z	Relative Intensity
55.11589	0.1
56.05053	1.3
56.96568	0.1
60.67550	0.1
67.25281	0.1
68.05032	0.1
70.06595	100.0
71.05009	0.2
77.13234	0.1
84.04509	28.5
84.08145	63.3
85.02908	0.9
102.05537	0.7
112.08723	1.4
112.11194	0.1
130.05011	5.3
130.08640	50.4
130.12274	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	130.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
55.93537	0.2
56.05037	1.0
57.07085	0.3
57.48629	0.2
58.02961	0.3
59.06129	1.0
60.05639	0.2
66.49128	1.2
68.99412	0.3
70.06603	1.6
71.04985	0.2
71.08632	1.5
71.94101	0.2
72.04503	1.2
72.08153	6.1
72.08523	0.3
72.93772	1.3
74.09727	0.8
74.99835	1.1
77.50103	2.3
77.99941	13.8
81.97460	0.1
84.04507	28.8
84.08144	0.8
85.04038	0.3
85.07673	2.7
86.00709	0.9
86.06067	0.2
86.50153	0.2
86.50613	13.8
87.00463	100.0
87.09212	1.7
88.00656	0.3
88.07625	1.4
89.00880	0.4
89.07157	0.4
89.50725	4.8
90.94814	1.7
93.00466	0.2
94.01231	0.3
95.51142	1.5
96.00980	9.6
97.59061	0.2
98.01402	1.8
98.03239	0.2
98.07230	0.2
98.51245	20.8
99.01441	0.7
102.09186	0.6
108.95863	0.3
110.02020	1.8
111.66441	0.1
112.07629	0.3
112.08727	0.2
112.11287	0.2
112.96680	3.2
113.07128	3.2
113.10769	0.9
113.96397	23.8
130.02113	0.2
130.05011	5.2
130.06525	2.4
130.07712	0.2
130.08652	2.9
130.09770	2.8
130.12276	11.9
130.13301	0.8
130.15912	3.5
130.97737	0.4
131.97432	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	130.1227
Annotation	N-Methylhexanamide
Peak:m/z	Relative Intensity
56.05038	0.8
57.07084	0.6
58.02979	3.6
59.06136	0.5
66.49158	0.8
70.06587	2.6
71.05015	0.5
71.08637	9.5
72.04526	0.7
72.08155	2.6
72.93794	2.0
73.25859	0.5
74.01041	0.5
74.09715	1.2
74.99835	2.2
75.49675	0.7
77.50084	3.5
77.99950	13.5
82.44291	0.5
84.04509	47.2
84.08154	1.9
85.04012	0.5
85.07671	2.2
86.00694	0.6
86.50623	16.1
87.00465	100.0
87.09230	1.2
88.07628	10.0
89.50726	2.0
90.94827	0.8
95.51174	0.5
96.00971	11.5
98.01419	2.3
98.51254	19.1
99.08114	2.1
100.07690	0.6
102.09186	3.8
107.51785	0.5
110.02021	0.9
112.07621	0.6
112.11256	2.1
112.96725	4.2
113.07131	3.0
113.96397	26.9
115.05451	2.0
123.83385	0.5
129.07016	2.8
130.05011	8.0
130.06531	3.0
130.07719	3.4
130.08667	4.4
130.09767	2.7
130.12277	96.5
130.15915	5.9
131.97427	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	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	19.3
72.08141	0.5
74.09718	24.7
77.27571	0.2
77.99923	0.3
84.04504	6.9
87.00466	4.6
89.71413	0.2
96.00972	1.0
96.13345	0.2
98.51254	0.3
113.96398	1.5
130.04993	0.9
130.06537	1.0
130.08669	0.3
130.15913	100.0
131.97427	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.70190	0.2
53.41480	0.2
57.07082	18.4
64.57367	0.2
67.81664	0.2
72.08155	0.3
74.09718	22.9
76.63572	0.3
84.04498	4.7
87.00485	2.3
96.00994	0.4
96.08761	0.3
98.06781	0.3
113.96423	0.6
130.04945	0.4
130.15915	100.0
131.97397	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	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	19.0
60.05319	0.4
66.56324	0.3
70.06578	1.7
72.08148	0.8
74.09716	24.7
84.04504	21.4
84.08130	0.7
87.00460	6.0
88.59332	0.3
96.00974	1.3
98.51250	0.5
113.96402	1.5
130.05026	4.0
130.06529	9.4
130.08623	2.1
130.15910	100.0
131.97418	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	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	20.8
74.09715	24.3
74.27196	0.3
84.04500	0.5
87.00465	0.5
130.06540	3.3
130.15912	100.0
148.44434	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
56.05059	0.5
58.02980	0.7
58.06581	0.4
59.06126	1.0
60.04535	0.8
72.04517	0.7
72.08157	2.0
72.93802	0.6
77.03944	0.5
77.99954	5.1
78.50070	2.7
84.04500	0.7
85.04838	1.9
86.06081	1.7
87.00465	39.3
87.50642	23.3
88.00485	7.2
88.07635	0.9
89.07140	0.5
89.50747	1.5
90.00814	2.3
90.02161	0.5
90.05555	9.5
90.94859	0.8
91.05486	4.8
95.04963	2.6
96.00970	4.0
96.51111	3.5
97.01006	5.8
98.04815	0.5
98.51259	8.5
98.51869	0.8
99.01385	8.2
99.51258	3.4
103.05470	100.0
105.04498	0.7
108.01511	0.9
110.02039	0.5
113.07169	0.5
113.96400	11.2
114.07471	0.4
114.96637	2.4
115.96445	0.9
116.06245	1.5
129.07001	0.5
131.04927	39.3
131.05986	1.3
131.08571	24.4
131.11815	2.4
131.16249	1.0
131.97418	6.2
132.97592	2.1
133.97522	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03960	0.5
54.11816	0.2
57.03432	1.0
66.67767	0.2
67.05508	0.3
71.04995	1.4
77.03925	0.4
84.04501	0.3
85.04819	2.2
85.06547	0.2
87.00455	1.1
87.50599	1.1
91.05470	0.5
93.78085	0.2
95.04958	3.1
97.00996	0.4
100.10879	0.2
102.04684	0.3
103.05468	100.0
105.04532	1.1
113.02366	0.3
130.04486	0.2
131.04924	34.8
131.08559	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03945	0.4
76.51576	0.3
77.03941	0.3
77.99947	0.3
82.54557	0.2
85.04851	0.4
87.00467	2.3
87.50585	0.5
88.00488	1.4
91.05491	2.1
95.04984	2.3
97.01006	1.3
98.51201	0.2
99.51270	0.4
102.04659	0.4
103.05469	100.0
103.94307	0.2
105.04527	0.5
113.96416	1.0
115.96389	0.2
131.04924	32.2
131.08563	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
51.02756	0.1
53.03952	0.6
55.01874	0.1
55.03447	0.1
56.52748	0.1
57.03436	0.3
58.29715	0.1
67.26453	0.1
71.04978	0.2
77.03944	0.3
84.04483	0.2
85.02894	0.7
85.04832	1.1
87.00472	0.2
87.50533	0.1
90.05446	0.1
91.05482	0.9
95.04958	2.0
95.08637	0.1
102.04668	0.3
103.05462	100.0
105.04521	1.0
113.02354	0.7
113.96391	0.1
115.05522	0.1
116.06229	0.2
119.02185	0.1
128.03899	0.1
129.06955	0.2
129.78526	0.1
131.04915	28.5
131.08546	3.7
131.11790	0.2
145.95253	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
53.03948	0.5
54.80607	0.1
69.21335	0.1
77.03948	0.6
78.67308	0.1
87.00465	0.2
91.05470	1.4
93.07856	0.1
95.04977	2.0
99.83195	0.1
100.95659	0.1
102.04685	0.6
103.05469	100.0
105.04527	1.1
106.15526	0.1
116.06207	0.2
118.96189	0.1
129.06982	0.2
131.04926	29.8
131.08559	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.1
51.02388	0.1
53.03951	0.3
57.00187	0.1
60.71873	0.1
67.18092	0.1
76.51568	0.1
77.03909	0.7
87.00471	0.7
87.50484	0.1
88.00469	0.2
91.05498	1.0
95.04968	1.6
102.04674	0.3
103.05465	100.0
105.04525	1.0
111.58598	0.1
113.96386	0.2
116.06235	0.3
131.04924	28.2
131.08556	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03955	0.5
58.04577	0.2
71.40359	0.2
77.03933	1.1
85.04824	0.2
87.00430	0.3
91.05478	0.7
95.04965	2.0
103.05466	100.0
105.04514	0.9
131.04921	27.7
131.08553	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
52.23346	0.1
53.03956	0.5
53.62226	0.1
57.03438	0.2
63.61407	0.1
73.68384	0.1
77.03930	0.7
85.04848	0.2
87.00456	0.3
87.50626	0.2
88.00532	0.2
91.05479	2.7
91.16601	0.1
95.04964	2.1
96.86340	0.1
101.16953	0.1
102.04681	0.2
103.05466	100.0
105.04485	1.0
113.96401	0.2
116.06248	0.9
117.02025	0.2
118.43432	0.1
129.06982	0.6
131.04921	26.9
131.08557	8.4
148.93430	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
76.51579	3.9
77.99948	1.4
78.99957	1.6
85.04836	4.6
87.00462	22.0
87.50632	11.4
88.00481	100.0
88.02356	5.6
90.05553	2.2
90.50732	3.7
91.05479	21.6
95.01270	1.1
96.00989	1.4
97.01003	51.2
98.51293	2.1
99.01361	1.3
99.50771	1.1
99.51267	41.5
103.05470	41.9
106.01501	4.6
108.51772	7.1
111.02042	4.8
113.96401	5.1
115.96439	13.8
116.06229	5.8
116.97211	2.1
129.06984	5.3
131.04929	17.3
131.08562	68.7
131.97420	2.3
133.97472	11.4
138.13451	0.9
138.97989	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77463	0.3
54.96796	0.3
67.27471	0.4
76.51566	0.4
79.01884	0.4
85.04810	0.8
87.00450	3.7
87.50552	2.1
88.00481	19.6
88.02374	1.5
90.05544	0.7
90.50745	0.5
91.05480	19.7
96.51086	0.5
97.00999	13.4
98.51246	0.4
99.51270	8.4
103.05456	6.2
106.01437	0.4
108.51788	1.8
113.96397	0.8
115.05431	0.8
115.96423	4.2
116.06250	5.1
116.97231	0.7
129.06973	5.2
130.07355	0.5
131.04973	2.7
131.08562	100.0
133.97449	2.3
138.98006	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41673	0.4
53.03951	0.4
54.77093	0.3
71.79481	0.3
77.03930	0.5
77.99926	0.7
78.50084	0.5
85.04819	0.4
86.99962	0.6
87.00458	11.2
87.50610	8.6
88.00476	5.6
90.05539	1.9
91.05476	23.1
92.18513	0.4
95.04948	2.9
96.00965	2.4
96.51070	0.7
97.00999	3.4
98.51241	0.8
99.01360	2.0
99.51245	2.9
103.05463	84.6
105.04495	0.7
108.51803	0.4
113.96401	3.9
114.96576	0.8
115.05497	1.1
116.06246	5.7
116.97185	0.4
129.06981	4.9
131.04919	33.4
131.08559	100.0
131.97411	0.8
132.97537	0.3
133.06493	0.5
133.97508	0.4
138.19307	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03951	0.5
57.03405	0.2
67.05516	0.2
71.04987	0.5
71.36532	0.2
77.03912	0.8
85.02908	0.3
85.04839	1.0
87.00455	1.7
87.50578	1.3
88.00475	1.4
91.05479	16.4
95.04950	2.4
96.51152	0.2
97.00980	0.3
99.01403	0.2
102.04659	0.2
103.05468	100.0
105.04514	1.2
109.26981	0.2
113.96378	0.4
115.05445	1.3
115.96410	0.2
116.06227	5.7
129.06993	3.7
130.71851	0.2
131.04924	28.6
131.08560	43.5
131.97437	0.2
137.97977	0.2
143.05919	0.2
149.39392	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22578	0.4
53.03946	0.7
54.58424	0.4
57.03435	0.8
62.46064	0.5
63.42818	0.5
74.83546	0.5
75.04390	0.5
77.99958	0.8
83.88205	0.5
85.02897	0.5
85.04828	4.6
87.00455	5.7
87.50565	2.8
88.00468	3.0
88.02331	0.6
91.05479	24.8
95.04974	2.8
96.51064	0.6
97.01012	1.0
103.05466	100.0
105.04515	0.8
113.96372	0.9
115.05428	2.7
116.06233	10.1
125.41463	0.5
128.06213	0.5
129.06999	5.9
131.04922	31.7
131.08565	69.6
131.11813	1.1
131.16241	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22578	0.4
53.03946	0.7
54.58424	0.4
57.03435	0.8
62.46064	0.5
63.42818	0.5
74.83546	0.5
75.04390	0.5
77.99958	0.8
83.88205	0.5
85.02897	0.5
85.04828	4.6
87.00455	5.7
87.50565	2.8
88.00468	3.0
88.02331	0.6
91.05479	24.8
95.04974	2.8
96.51064	0.6
97.01012	1.0
103.05466	100.0
105.04515	0.8
113.96372	0.9
115.05428	2.7
116.06233	10.1
125.41463	0.5
128.06213	0.5
129.06999	5.9
131.04922	31.7
131.08565	69.6
131.11813	1.1
131.16241	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
56.83951	0.2
57.03448	2.1
57.07092	0.3
65.03934	0.3
65.30273	0.2
67.05506	1.5
69.07057	0.6
71.04987	1.5
71.94099	0.2
74.09707	0.4
75.10028	0.4
76.51620	0.5
77.03929	1.1
77.99928	1.2
78.50058	0.4
79.05492	0.3
84.04509	0.6
85.02896	0.5
85.04353	0.3
85.04826	3.0
85.05252	0.2
85.06552	0.4
87.00457	4.5
87.25242	0.3
87.50636	3.2
88.00478	4.5
88.02366	0.6
91.05477	32.6
95.04971	2.7
95.08604	2.5
96.01013	0.6
97.01015	2.3
99.01357	0.3
99.51270	1.3
102.04622	0.4
103.05466	100.0
105.04520	1.1
105.07036	0.4
113.02362	1.1
113.09649	0.6
113.96387	1.2
114.96663	0.3
115.05464	4.0
115.96439	0.5
116.06236	14.8
128.06210	1.2
129.07001	6.4
131.03349	0.7
131.04921	37.6
131.06895	3.8
131.08560	89.0
131.16261	4.1
131.97411	0.6
133.97482	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	1318.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05476	94.0
93.07030	7.4
95.04964	13.8
95.08601	4.5
97.02883	0.6
97.06521	0.6
99.04488	0.3
102.70253	0.2
103.05459	3.7
105.03391	77.2
105.04407	4.8
105.07024	17.5
106.06532	2.2
107.04942	1.9
107.08592	6.4
107.74170	0.3
109.06526	3.9
109.10142	1.4
111.04429	0.4
113.05948	0.3
115.05420	2.5
116.06264	0.4
117.06980	2.4
118.06544	0.6
119.04937	11.9
119.08572	10.4
121.06493	10.8
121.10124	7.0
123.04411	1.6
123.08058	6.2
123.11681	0.5
125.05971	0.5
125.09631	0.3
128.06189	2.0
129.06992	3.1
131.04924	1.2
131.08556	4.8
133.06485	13.4
133.07520	0.6
133.10132	8.7
135.04411	1.8
135.08047	7.0
136.07625	0.6
137.05968	1.7
137.09642	1.8
139.07539	0.6
141.07011	1.6
142.07770	1.6
142.82330	0.3
143.08560	6.1
144.09344	0.6
145.06435	2.9
145.10110	5.0
146.07272	0.3
147.04414	2.5
147.08040	6.5
147.11696	0.5
149.05968	6.6
149.09607	7.8
151.07516	3.6
151.11162	1.4
152.06261	0.5
153.07011	1.3
154.07751	0.6
155.08540	4.1
156.09370	1.9
157.06482	1.7
157.10112	6.5
159.04466	0.4
159.08026	6.6
159.11659	2.3
161.05956	3.6
161.09601	8.9
163.03934	0.4
163.07520	2.0
163.11162	1.1
165.05467	4.0
165.06987	3.2
165.09090	1.0
166.07770	1.5
167.07053	2.4
167.08549	3.7
168.09346	1.3
169.10101	9.0
170.10907	1.7
171.08000	3.0
171.11691	4.2
172.08803	0.9
173.05922	1.3
173.09621	4.5
173.13228	0.5
175.07550	4.3
175.11160	2.3
177.05486	2.4
177.09056	3.5
178.07768	1.6
179.06995	1.6
179.08568	4.8
180.09343	2.6
181.06496	0.6
181.10115	5.8
182.08119	89.8
182.10832	3.5
183.06560	0.6
183.08086	2.3
183.11664	8.4
184.08833	0.5
185.05997	0.5
185.09595	5.0
185.13235	1.7
186.10370	0.4
187.07571	2.9
187.11134	2.8
188.08369	0.4
189.05429	0.3
189.07343	0.3
189.09012	2.5
189.12701	0.3
191.07109	0.8
191.08565	1.8
191.10590	0.6
192.09328	2.1
193.08621	0.9
193.10132	6.5
194.10922	5.0
195.06471	0.4
195.08057	1.9
195.11674	8.7
196.08878	1.8
196.12477	2.5
197.08043	0.5
197.09624	5.5
197.11333	0.4
197.11678	0.3
197.13258	4.5
198.10370	0.6
199.07623	1.1
199.11142	4.4
199.14778	0.4
201.09056	1.7
201.12744	1.5
203.08742	0.4
203.10709	1.0
204.09303	0.4
205.08536	0.4
205.10139	3.2
205.12044	0.5
206.10887	10.2
207.08035	0.5
207.11662	6.6
208.08841	1.5
208.12468	2.6
209.09653	5.6
209.13234	8.6
210.10388	3.1
210.14024	1.1
211.07623	1.1
211.11188	7.6
211.14740	4.9
212.08495	0.3
212.11961	1.6
213.09265	2.2
213.12686	3.5
215.08746	0.5
215.10715	2.3
216.09393	0.3
217.10188	1.0
217.12071	0.5
218.10962	0.6
219.08092	0.4
219.11673	1.5
220.12468	7.0
221.09926	2.2
221.13248	9.1
221.15404	0.3
222.10423	4.9
222.13928	0.5
223.11189	8.3
223.14670	2.7
224.09193	1.4
224.11945	4.1
225.09193	3.2
225.12737	6.1
225.16299	2.5
226.09903	0.6
227.10768	2.6
227.14206	2.8
229.12225	1.8
230.10834	2.3
231.11751	0.9
231.13753	0.3
232.12515	1.0
233.09570	2.2
233.13306	1.4
234.10368	3.1
235.11153	1.6
235.14795	6.7
236.11974	1.8
237.09097	0.6
237.12732	7.1
237.16411	1.0
238.09810	0.5
238.13564	2.9
239.10747	3.3
239.14270	8.0
240.11464	0.4
241.08682	0.4
241.12172	2.9
241.15834	0.9
243.10019	0.4
243.13754	0.5
245.13379	2.7
246.10484	0.4
247.11157	0.6
247.14760	1.1
248.11920	5.0
249.08958	0.5
249.12747	5.2
251.10738	2.0
251.14275	3.8
252.11414	1.3
253.12271	1.4
253.15880	5.8
253.23772	0.3
255.08542	1.2
255.13785	3.6
255.17451	0.4
257.11749	1.2
257.15323	1.3
261.12744	1.1
263.14267	9.7
265.12311	1.6
265.15686	1.9
266.12997	1.9
267.10474	0.8
267.13785	5.4
269.11798	1.4
269.15280	1.8
271.13138	0.4
271.16907	1.2
273.12747	0.6
276.11517	1.3
279.13745	2.9
281.15314	11.8
283.13211	1.7
285.14691	1.8
287.12704	1.9
291.13779	5.5
297.14725	2.8
299.16351	4.8
309.14825	19.5
313.14337	1.3
315.15915	1.2
327.15900	28.2
329.13843	2.4
345.16965	4.4
351.15695	0.4
357.16953	0.5
359.18500	0.4
369.16974	3.1
373.16632	1.0
387.17981	12.6
405.19104	1.6
431.18549	1.8
447.20233	3.2
449.19559	7.4
491.20572	1.9
509.21692	100.0
551.22931	0.5
569.23798	43.1
656.62726	0.3
690.28308	0.5
750.31152	21.4
774.12787	0.3
1070.64722	0.3
1181.76062	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	1318.6526
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05485	13.0
92.17899	1.3
93.07046	19.3
95.04964	5.7
95.08630	8.3
97.06543	8.7
103.05465	17.9
105.07027	20.6
107.08596	15.9
109.06513	12.2
109.10153	11.6
111.08078	5.1
115.05452	1.7
117.06998	4.0
119.08575	65.5
121.06510	0.8
121.10138	8.8
123.08061	5.5
123.11711	7.0
125.06033	0.9
125.09633	8.5
128.06204	6.8
129.06992	11.3
131.04926	59.0
131.08559	18.4
133.06483	7.2
133.10132	14.2
135.08063	3.3
135.11690	3.8
137.09647	6.5
141.06975	7.2
142.07756	8.4
143.08559	41.3
145.06450	0.9
145.10118	30.6
147.08067	3.0
147.11732	6.8
149.09557	3.0
151.11229	1.4
153.07071	1.5
154.07739	1.2
155.08549	25.6
156.09320	7.1
157.10121	41.7
158.07202	0.8
159.08112	6.6
159.11684	12.1
161.09627	8.2
161.13318	0.8
165.07001	1.1
167.08563	5.0
168.09355	5.2
169.10130	40.4
170.10889	2.9
171.07997	0.9
171.11681	29.5
173.09627	10.9
173.13261	13.2
175.11160	7.8
179.08553	4.9
180.09297	1.5
181.10106	11.7
182.10965	1.0
183.11691	66.6
185.09648	5.0
185.13251	40.4
187.11168	5.8
187.14857	10.2
189.12773	3.7
192.09354	4.5
193.10162	13.0
193.12067	1.8
194.11058	2.7
195.11681	12.9
197.09613	5.8
197.13264	17.9
197.81033	0.8
199.11234	3.9
199.14815	1.2
201.12709	9.7
202.07748	0.8
205.10129	1.3
206.10928	10.8
207.11708	25.0
208.12512	4.9
209.13255	14.0
210.14145	1.1
211.11169	11.8
211.14754	8.0
213.12697	1.8
215.14346	1.8
219.11642	4.4
220.12531	8.3
221.13243	32.0
222.14087	3.8
223.11275	1.0
223.14812	13.0
225.12773	13.1
225.16270	5.2
227.14331	3.7
233.13223	9.1
234.14050	10.9
235.14830	8.1
237.16357	15.5
238.13516	1.5
238.17282	1.1
239.14275	10.4
239.17940	12.5
243.13821	1.0
248.15608	19.0
251.17978	1.8
253.19505	18.4
263.17938	61.3
266.16354	0.8
281.18997	100.0
292.99094	0.7
299.20056	40.5
323.20102	10.3
341.21103	59.4
383.22202	19.1
397.77188	0.9
401.23233	90.8
443.24289	29.7
471.25400	10.2
489.26370	3.7
531.27100	4.2
591.29559	31.8
753.21594	0.7
1028.19739	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02377	0.2
53.03948	0.4
54.77338	0.2
55.34023	0.2
56.05022	0.5
57.03231	0.2
57.03442	2.9
58.02945	0.3
72.93788	20.1
77.03928	0.3
84.04501	1.1
86.06076	0.8
86.09708	2.1
89.00262	0.3
90.94819	5.9
91.05475	0.4
92.17841	0.3
95.04969	1.8
96.04487	0.4
104.04996	13.9
104.05752	1.2
105.03370	0.3
105.04520	1.2
108.44576	0.2
108.83638	0.2
108.95820	0.2
113.96400	9.9
114.05509	0.5
117.05735	0.4
131.77530	0.2
131.97435	2.0
132.04448	100.0
132.06520	8.2
132.08041	3.8
132.10179	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02380	0.3
53.03950	0.6
53.67701	0.2
56.05037	0.2
57.03440	1.8
58.02960	0.3
58.06593	0.2
69.03391	0.1
70.93151	0.1
72.93789	24.8
77.03917	1.0
84.04520	0.3
86.06077	0.2
86.09698	1.7
88.00461	0.3
88.58875	0.1
89.00231	0.3
90.94823	7.4
91.05482	1.8
95.04966	2.4
96.04476	0.8
98.00764	0.2
103.05445	0.6
104.04353	0.3
104.04986	5.4
104.05794	3.9
105.03395	0.2
105.04518	1.2
108.95870	0.6
113.96396	13.8
114.05512	0.3
131.97429	3.2
132.04446	100.0
132.06549	5.6
132.07980	1.4
148.14784	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	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.97895	0.3
54.87530	0.4
55.93521	0.5
56.05032	2.2
57.03183	0.5
57.03442	10.0
58.02962	2.7
58.06599	0.8
63.35051	0.4
68.05025	0.6
69.03439	0.7
69.07057	0.4
72.93790	90.5
84.04504	3.1
86.06090	2.1
86.09717	5.5
88.00500	0.6
88.50604	0.5
89.00257	1.0
90.76505	0.5
90.94825	32.1
91.05482	10.0
98.00749	0.6
98.81607	0.4
103.05501	0.8
104.05794	7.1
105.07059	2.8
108.95876	2.6
113.96395	45.6
114.05547	1.1
115.05462	4.2
117.05754	14.3
130.06541	0.9
130.68164	0.4
131.07356	0.6
131.97438	12.6
132.04477	2.2
132.05409	2.8
132.06599	27.3
132.08083	100.0
133.06526	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05026	0.2
57.05812	0.2
58.06607	0.2
59.62188	0.1
67.48685	0.1
69.07069	10.2
70.06555	0.1
72.93781	1.7
78.07697	0.1
84.80915	0.1
86.09706	100.0
90.94820	0.3
91.05507	0.2
94.61283	0.1
113.96385	1.3
116.78297	0.1
132.06595	0.5
132.09225	0.3
132.10185	1.8
143.86652	0.1
154.37238	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	132.1021
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
69.07069	1.2
72.93767	1.3
81.27820	0.2
86.09708	100.0
90.94821	0.2
113.96431	0.7
125.62078	0.2
132.06525	0.2
132.10191	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	1323.6076
Annotation	Unknow
Peak:m/z	Relative Intensity
93.06897	3.4
93.07539	0.4
95.04825	1.2
95.08458	1.6
97.06450	0.2
103.05320	4.6
103.06471	0.1
105.04359	0.5
105.06883	5.7
105.07632	0.5
107.08437	2.9
109.06364	0.8
109.09995	2.4
110.77559	0.1
111.07976	0.2
113.61081	0.1
115.05428	0.9
117.06851	1.2
119.08417	8.0
119.09344	0.6
121.06396	0.3
121.09979	2.8
123.07896	0.5
123.11533	1.0
125.09481	0.2
128.06194	1.7
129.06989	1.6
130.07678	0.2
131.04926	13.2
131.05835	0.9
131.08554	3.6
133.06390	0.2
133.10115	6.1
133.11008	0.3
135.07930	0.4
135.11681	1.0
137.09439	0.3
141.06927	1.1
142.07745	1.9
143.08549	7.7
143.09595	0.3
145.06355	0.2
145.10117	3.9
147.08051	0.9
147.11688	1.5
149.05858	0.1
149.09480	0.4
151.11101	0.1
153.06828	0.6
154.07614	0.7
155.08539	4.8
156.09338	1.3
157.10110	8.8
157.11316	0.3
159.08058	1.3
159.11697	2.0
159.12874	0.2
160.08693	0.1
161.05774	0.1
161.09586	2.0
161.13124	0.2
163.11009	0.5
165.06952	0.9
166.07649	0.2
167.08543	1.6
168.09212	0.5
169.10110	6.9
170.10928	0.9
171.07870	0.6
171.11664	5.1
173.09616	1.1
173.13243	1.3
175.11102	1.1
178.07790	1.1
179.08572	2.0
180.09117	0.8
181.10104	3.6
182.10759	0.7
183.07976	0.3
183.11671	6.8
185.09593	1.4
185.13229	2.4
187.11217	0.8
187.14703	0.2
189.08972	0.2
189.12575	0.6
191.08369	0.5
191.10367	0.1
192.09308	2.3
193.10114	4.3
194.10762	0.7
195.11679	3.7
196.12393	0.2
197.09656	1.4
197.11092	0.2
197.13239	4.3
199.10963	0.8
199.14778	0.8
201.08884	0.1
201.12674	1.2
205.10101	0.8
206.10892	3.7
207.11671	7.7
208.12463	1.2
209.13275	2.8
210.13931	0.2
211.09283	0.1
211.11169	3.0
211.13062	0.2
211.14740	2.0
213.12584	0.2
215.10617	0.1
218.10699	0.2
219.11644	1.6
220.12503	2.4
221.13234	9.3
222.13818	0.8
223.11121	0.4
223.14813	2.1
225.12762	1.9
225.16359	0.9
227.14212	0.2
231.11470	0.1
233.13243	3.6
234.14021	3.1
235.14767	2.1
237.12723	0.1
237.16383	1.6
238.13287	0.2
239.10580	0.2
239.14284	1.5
239.17978	1.1
241.11797	0.1
247.14705	0.2
248.15575	6.2
251.17830	0.2
253.15536	0.2
253.19473	3.4
255.17386	0.1
263.17926	13.1
265.15793	0.2
271.20328	0.3
281.18997	6.9
295.20425	0.1
299.17032	0.1
299.20032	1.4
323.20157	1.7
323.23792	0.2
341.20883	0.6
345.18143	0.6
363.19205	0.6
383.22076	0.6
401.23120	0.2
405.20349	3.2
423.21704	0.2
465.22479	5.1
471.24878	0.2
493.23593	0.3
503.39325	0.1
553.25647	3.2
571.26495	0.2
591.29694	0.6
613.27686	37.3
673.29803	100.0
712.22833	0.1
738.87994	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	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03944	2.5
55.01865	1.9
55.64984	0.3
55.93524	0.3
57.03432	0.5
65.03914	0.4
72.20909	0.4
72.93790	2.8
73.02911	1.6
73.93816	1.8
74.02408	0.5
74.37098	0.4
77.03931	14.8
79.05477	2.4
79.36992	0.4
87.86040	0.4
89.06010	2.9
90.94805	0.5
91.05460	0.7
91.94875	0.5
92.04990	0.8
95.04956	8.4
97.02883	0.4
103.05456	2.5
105.02676	0.7
105.03387	25.5
105.04436	3.7
105.07021	26.6
105.07737	0.8
106.88513	0.4
114.96581	0.6
123.76044	0.4
133.02841	100.0
133.06488	32.4
133.07599	38.9
133.10110	9.8
146.92076	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	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03958	0.9
54.27965	0.5
55.05534	0.5
60.59721	0.4
61.13666	0.4
69.07098	0.6
72.93774	0.8
73.93832	1.2
77.03927	14.9
79.05490	0.6
89.13892	0.5
91.05464	3.1
93.07050	1.3
95.04965	8.5
103.05471	0.6
105.03402	24.0
105.04478	4.4
105.07031	52.8
114.96666	0.7
118.07798	0.6
133.02852	100.0
133.06450	6.6
133.10120	18.8
136.59573	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02393	0.2
53.03951	0.7
55.01876	4.4
55.05514	0.7
63.28180	0.3
65.03935	0.5
69.75542	0.3
72.93785	1.3
73.02886	0.4
73.48090	0.3
73.93835	0.6
77.03919	0.5
79.05491	11.4
91.05477	5.7
93.07044	1.2
95.04963	2.1
99.00636	0.3
103.05470	7.2
105.03400	0.5
105.07026	91.1
115.05436	3.3
118.07771	0.8
131.04921	0.3
131.08553	2.7
133.02838	1.5
133.06482	100.0
133.10117	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
53.37334	0.3
55.01879	5.4
55.05515	0.7
57.03452	0.8
60.01040	0.3
61.14896	0.3
65.99209	0.3
67.05494	0.4
69.03438	2.1
72.93788	0.6
73.93806	0.4
77.03921	0.4
79.05495	11.7
79.61879	0.4
85.02903	0.6
89.60726	0.3
90.94838	0.4
91.05475	8.4
93.07018	0.8
95.04974	2.6
103.05470	9.0
105.07027	96.3
114.96634	0.4
115.05456	3.3
117.07003	0.6
118.07787	0.8
131.08572	1.9
133.02858	2.1
133.06482	100.0
133.10115	46.1
135.50929	0.3
139.05397	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	133.0649
Annotation	Cinnamaldehyde
Peak:m/z	Relative Intensity
51.02375	0.3
51.72105	0.2
55.01876	1.5
55.05526	0.3
57.04153	0.2
61.15213	0.2
69.07070	14.1
69.65170	0.2
71.49342	0.2
72.93796	0.4
73.02883	0.2
73.06561	1.8
73.93837	0.2
75.31985	0.2
76.64579	0.2
77.03926	0.4
79.05500	3.3
91.05489	1.2
95.04961	0.4
97.06505	0.7
98.00778	0.2
103.05473	2.5
105.03411	0.9
105.07032	42.7
114.96712	0.2
115.05448	1.6
115.07592	1.3
118.04181	0.2
123.41246	0.2
131.04950	0.4
131.08580	0.2
133.02959	2.1
133.06490	100.0
133.10112	5.0
139.70950	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30600	0.3
51.74567	0.3
53.03966	0.5
55.01875	5.0
55.05514	0.8
59.48847	0.3
61.24366	0.4
65.03934	0.4
73.06576	0.7
77.03909	0.8
79.05048	0.6
79.05494	12.5
79.09064	0.4
91.05474	2.9
93.07074	0.5
95.04958	2.4
103.05468	9.3
105.03409	0.6
105.04556	0.9
105.07030	86.4
106.93155	0.4
108.54745	0.4
115.05424	1.8
131.04883	0.5
131.08592	0.6
133.02861	2.4
133.06487	100.0
133.10118	11.5
140.59581	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.61590	0.3
52.10614	0.3
53.03951	0.3
54.63074	0.3
55.01878	2.0
55.05520	0.6
57.03429	0.7
58.03769	0.5
59.06244	0.3
60.35003	0.3
66.94556	0.3
69.03429	0.6
73.02930	0.7
77.03917	0.4
79.05491	4.6
87.58444	0.4
91.04906	0.5
91.05470	9.9
93.07034	1.4
95.04963	0.8
100.30285	0.3
103.05465	3.4
105.03410	0.7
105.07026	76.0
115.05431	2.8
117.07047	0.7
118.07798	1.7
131.08543	4.9
133.02893	2.9
133.06485	100.0
133.10118	52.5
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
51.41047	0.3
55.05501	0.3
56.00083	0.3
77.02210	0.4
78.38205	0.3
79.05484	0.9
89.00231	0.9
89.50344	0.9
90.00127	0.6
91.05476	6.0
92.05796	0.5
93.07036	1.6
98.00777	0.4
99.00630	0.9
101.01058	0.5
103.05473	0.8
104.19225	0.4
105.07030	30.0
115.05459	0.8
117.07005	0.6
117.95897	0.4
118.07796	2.2
123.08078	0.5
131.07698	0.6
131.08536	3.9
133.06485	8.5
133.10126	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	0.5
53.76909	0.3
55.01881	2.2
55.05509	2.0
64.84842	0.4
71.26875	0.3
79.05491	6.9
91.05474	14.2
93.07032	3.2
95.04988	0.5
103.05480	4.1
105.07030	100.0
115.03905	0.4
115.05426	2.6
117.07005	1.9
118.07805	3.7
131.08553	6.0
133.02879	3.4
133.05298	3.2
133.06487	69.2
133.10126	88.5
138.46512	0.4
145.20638	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05515	0.9
57.95952	0.4
67.05505	0.5
70.51390	0.5
72.42467	0.5
79.05490	2.7
89.00230	3.0
89.50362	4.9
90.00120	6.2
91.04980	0.8
91.05484	14.3
92.05843	0.9
93.07043	2.6
98.00764	3.0
98.50854	1.1
99.00646	2.7
100.51025	1.1
101.01122	2.2
101.50917	0.8
103.05431	0.5
105.07029	49.1
115.05427	0.9
117.07030	0.8
117.96017	0.6
118.07819	1.0
119.95703	0.6
123.08053	0.9
128.53671	0.5
131.08557	4.9
133.02855	2.4
133.05017	0.6
133.06487	20.0
133.07646	1.9
133.10124	100.0
154.56097	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02370	0.6
53.03949	0.4
53.45031	0.4
55.05512	0.8
58.45984	0.4
59.07856	0.4
64.00073	0.4
79.05489	2.7
85.38364	0.5
87.05581	0.4
89.00250	10.4
89.50398	6.6
90.00122	10.3
91.05479	16.4
92.05807	2.6
93.07021	2.7
95.04959	0.6
98.00780	5.3
98.50862	4.9
99.00648	5.1
100.51020	3.2
101.01127	4.2
101.50922	2.8
103.05423	1.6
105.03394	0.8
105.07030	58.9
109.51559	0.7
113.01741	0.5
115.05424	1.6
117.06995	0.9
117.95992	2.3
118.07777	1.0
119.95724	0.6
123.08046	0.6
131.08540	5.3
133.02869	2.3
133.05083	0.9
133.06482	16.4
133.07574	1.9
133.10124	100.0
135.97055	0.6
137.96820	0.8
142.97330	0.5
146.18414	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05511	0.6
67.22669	0.3
72.53439	0.3
79.05486	1.8
86.88905	0.4
87.82632	0.4
91.05479	7.0
92.05817	0.7
93.07046	1.9
99.00660	0.4
103.05460	0.5
105.04523	0.6
105.07030	31.0
115.05421	0.7
117.07017	1.5
118.07788	2.1
123.08079	0.9
131.08580	3.9
133.06526	7.0
133.10130	100.0
138.14719	0.4
138.95763	0.3
142.68240	0.3
153.72513	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.30055	0.3
55.05520	0.6
79.05486	1.8
81.58381	0.2
82.39195	0.3
84.89014	0.3
91.05487	6.7
92.05789	0.5
93.07048	1.6
95.05019	0.3
103.05458	0.5
105.07034	31.9
107.08620	0.4
110.36885	0.3
115.05432	1.1
117.07043	1.5
118.07800	1.8
123.08024	0.4
131.08568	3.3
133.06517	7.7
133.10129	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.32396	0.7
52.52040	0.6
55.05500	0.6
56.05026	0.8
59.03288	0.5
59.03598	0.7
59.11806	0.6
65.03939	0.7
68.09028	0.6
71.05592	0.7
78.08617	0.7
79.05490	1.0
89.00248	1.4
89.50358	3.6
90.00121	4.4
91.04999	0.8
91.05488	12.2
92.04987	0.8
93.07034	1.5
93.46257	0.7
94.34935	0.7
96.71761	0.7
98.50925	1.0
99.00648	1.2
100.51037	1.7
101.01189	1.3
101.50919	1.1
105.04517	1.0
105.07029	37.3
105.91949	0.7
110.06049	2.6
110.51418	1.0
112.75068	0.7
117.07022	1.0
118.07787	1.3
121.65058	0.7
129.95483	0.7
131.08557	4.4
132.05591	0.9
133.02859	1.0
133.05170	1.9
133.06473	14.7
133.07643	4.1
133.10126	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
54.32134	0.3
55.05523	0.6
79.05487	1.0
89.00308	0.6
89.50261	0.6
91.05489	5.6
93.07016	0.8
95.04984	0.5
103.05502	0.5
104.56969	0.4
105.07034	29.7
115.05452	1.0
117.07017	0.7
118.07804	2.5
131.08525	4.1
133.06512	8.3
133.10129	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05523	0.4
57.56905	0.3
75.66193	0.3
79.05477	1.6
85.97189	0.4
89.00188	0.4
90.00110	0.4
91.05473	7.0
92.05804	0.3
93.07024	1.3
94.35921	0.4
98.00758	0.8
101.01190	0.6
103.05445	0.6
104.25276	0.4
105.07029	30.8
115.05441	0.7
117.07005	0.7
118.07777	2.2
123.08045	0.7
131.08559	4.4
133.06502	8.9
133.10123	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.93806	0.3
55.05508	0.5
62.63073	0.4
64.22765	0.3
64.51261	0.3
72.05773	0.4
76.88586	0.3
79.05492	1.5
88.38196	0.4
91.05482	6.4
92.18523	0.5
93.07051	1.4
103.05479	0.5
105.07034	26.7
105.41442	0.3
107.08613	0.4
115.05447	0.8
117.07001	1.4
118.07790	0.5
131.08568	3.1
133.06520	7.4
133.10127	100.0
140.99886	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05499	1.0
61.32767	0.4
79.05478	2.4
89.09126	0.5
91.05476	14.9
91.52379	0.6
93.07034	3.4
103.05451	1.3
105.07032	57.5
115.05446	1.0
115.49873	0.6
115.83157	0.5
117.07008	2.7
118.07790	3.2
131.08549	12.7
133.06493	34.0
133.10127	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.40355	0.2
55.05514	0.4
56.55715	0.2
68.87488	0.2
71.75010	0.3
79.05492	0.5
81.38014	0.2
85.13150	0.2
91.05476	4.6
91.42571	0.2
93.07027	1.4
103.70558	0.3
105.07033	14.7
115.05458	1.8
117.07024	1.5
118.07788	1.6
124.22234	0.3
125.75100	0.2
130.09108	0.2
131.08568	2.3
133.06522	1.2
133.10127	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02353	0.3
53.03940	0.5
53.45248	0.3
55.05511	0.7
59.87778	0.3
60.21085	0.2
77.03908	0.3
79.05486	1.7
89.50352	0.4
91.05476	8.3
93.07025	1.8
95.04935	0.4
103.05492	0.4
105.07031	32.1
107.08576	0.4
115.05460	1.5
117.07009	1.6
118.07782	2.6
123.08038	0.5
131.08560	3.6
133.06496	13.1
133.10121	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	100.0
57.03447	2.0
58.99847	0.3
59.04996	0.5
69.03437	0.9
73.02927	2.8
74.02441	18.5
74.93210	0.4
74.97633	1.9
78.50928	0.4
78.52970	0.5
79.02184	0.6
80.52695	0.5
81.03439	0.6
82.01457	1.9
83.04979	0.7
84.52971	0.5
85.02917	2.0
88.01849	0.5
88.02695	2.1
88.03992	10.9
92.52707	0.6
93.01888	2.1
93.53513	1.6
97.61247	0.4
97.96819	0.7
97.99178	11.3
97.99761	0.7
98.97610	1.0
100.02489	3.8
101.00911	2.7
102.01566	1.8
102.02440	4.1
104.52693	0.4
111.02110	1.1
111.02946	6.5
111.53505	0.8
113.00869	0.9
113.53225	1.6
116.00182	3.6
116.03455	0.8
118.03557	0.9
119.01942	3.1
120.02611	0.7
120.03424	0.6
122.53738	3.6
124.02425	2.8
131.01942	2.2
131.54295	0.7
134.03082	0.5
134.04503	0.7
134.09689	1.7
140.85947	0.4
142.03485	3.5
143.01929	0.4
150.12416	0.4
154.03494	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57786	0.7
53.03938	1.4
53.66896	0.6
55.01857	1.9
56.24984	0.7
56.96571	100.0
57.03189	0.9
57.03438	21.3
57.93557	1.9
58.99853	1.2
59.52186	0.9
62.99878	0.7
64.87632	0.8
65.52164	1.1
68.02627	1.9
69.03422	7.0
72.93779	1.0
73.02919	6.9
74.93828	43.8
74.97591	1.0
77.00870	1.9
78.52933	5.0
79.02165	1.1
79.51901	5.1
81.01899	1.0
81.03415	8.4
82.01437	11.1
83.15121	0.9
84.52925	4.1
85.02869	4.4
85.53703	4.2
86.03661	2.0
86.52673	4.2
87.97751	0.8
88.02666	15.0
88.07587	1.6
90.52915	2.0
92.52647	3.6
92.94856	19.1
93.01898	8.0
93.02373	0.8
93.53455	9.0
94.52399	1.0
94.54261	0.9
97.98656	0.9
97.99179	12.6
98.52660	1.7
99.04418	1.7
99.53450	9.7
100.01874	1.2
100.02478	32.9
100.11938	0.9
101.00877	10.2
102.02390	14.6
104.52673	6.3
105.03365	4.2
106.06528	3.3
106.08612	1.2
107.53162	1.7
108.53960	1.3
109.02850	4.5
110.95834	1.4
111.02929	30.5
111.04222	5.4
111.53419	4.3
113.00841	1.8
113.53213	12.6
115.02420	1.8
115.96426	40.1
116.00157	3.9
116.01286	1.1
116.01925	16.6
116.02651	1.1
116.03484	1.0
116.07051	3.2
116.97178	3.4
118.01126	1.6
118.03512	9.6
119.01915	22.3
120.03443	7.0
121.02831	1.0
122.53694	15.3
124.02452	10.4
126.03986	0.9
127.02394	1.1
127.03835	1.2
131.01892	14.0
131.54181	4.0
133.03448	1.8
133.97458	7.8
134.01312	1.6
134.02953	51.8
134.04637	2.7
134.06000	7.5
134.07045	5.1
134.08043	9.4
134.09619	3.3
134.10466	1.0
136.02400	1.0
136.34135	0.9
137.02991	1.0
141.02647	5.6
142.03503	22.4
143.01884	6.4
144.05011	0.9
145.03429	3.6
152.03986	3.5
154.03453	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	134.0635
Annotation	4-Methylthiobutanaldoxime
Peak:m/z	Relative Intensity
56.04780	0.2
56.05039	4.4
56.65059	0.2
56.96570	7.5
59.99113	7.9
61.72401	0.2
65.83583	0.2
70.06585	0.4
71.04954	0.2
72.08141	0.4
74.02394	0.2
74.93832	3.6
78.00139	1.8
85.94547	0.2
88.02213	24.4
88.07603	0.3
92.94858	1.4
97.99162	0.8
99.75558	0.2
105.02464	1.6
106.03249	15.1
106.06583	0.6
106.07352	1.2
106.08649	0.3
106.37454	0.2
115.96443	3.7
116.05309	9.9
116.07065	1.0
116.97194	0.3
133.97438	0.5
134.06342	100.0
134.09624	10.5
134.10471	1.3
147.39827	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	134.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11407	1.0
51.91660	1.1
53.99347	1.1
73.56792	1.1
88.25137	1.4
91.05459	1.6
106.07340	2.6
116.07065	1.3
134.06004	5.1
134.07033	2.9
134.09647	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	134.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43328	1.3
72.12368	1.4
73.52137	1.4
134.09648	100.0
135.77263	1.5
140.84079	1.7
153.52032	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	134.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53381	0.5
83.90498	0.6
84.13646	0.5
91.05435	0.7
92.17744	1.1
103.58694	0.6
134.09647	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
54.28531	2.0
55.45818	1.7
61.42515	1.5
68.01460	2.0
106.36391	1.8
134.09644	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	134.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03295	1.7
73.82852	1.4
118.40732	1.8
134.08618	3.5
134.09650	100.0
151.87485	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
73.38119	0.4
91.05456	2.0
105.54865	0.5
117.99477	0.5
124.22288	0.5
132.33803	0.6
134.09651	100.0
143.00235	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	134.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.2
61.53486	0.4
61.57190	0.3
73.29752	0.5
74.02415	0.7
74.06070	0.6
74.93810	1.1
75.28095	0.4
79.05478	0.5
82.62856	0.5
91.05477	2.8
106.06606	0.7
106.07360	2.6
107.04919	0.6
108.34887	0.5
115.96380	0.7
118.06496	0.9
119.38821	0.5
134.06004	16.2
134.06900	3.8
134.09647	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
54.75827	1.9
64.78381	2.1
77.61496	2.0
96.93366	1.9
112.44199	2.1
130.20287	2.3
134.09654	100.0
154.43231	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	134.0964
Annotation	2-AI
Peak:m/z	Relative Intensity
62.69915	0.3
64.45808	0.3
64.89157	0.4
67.39135	0.4
70.60480	0.4
91.05453	3.0
104.73090	0.4
118.06512	0.5
126.12609	0.4
134.09653	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
52.94814	0.3
55.38868	0.3
56.96564	0.5
70.55637	0.3
78.82353	0.4
91.05483	3.2
96.21092	0.4
105.07048	0.6
106.06660	0.6
106.07333	3.0
119.07352	0.5
134.05965	3.4
134.06960	4.0
134.09648	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
56.96571	15.4
57.93558	0.4
61.95382	0.3
74.93837	5.4
91.05463	2.0
92.18623	0.4
92.94855	1.5
97.99181	1.6
105.07011	0.5
106.06653	0.5
106.07362	2.6
106.08681	0.4
115.96445	4.4
116.07063	0.3
116.97336	0.3
118.61168	0.4
128.41510	0.3
133.97466	0.7
134.06061	4.6
134.09647	100.0
148.94987	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	134.0965
Annotation	2-AI
Peak:m/z	Relative Intensity
54.15542	0.3
56.96560	1.8
57.32494	0.3
63.99874	0.3
69.43548	0.4
74.02458	2.5
74.93824	1.5
86.06059	0.4
88.03973	1.4
91.05463	2.4
106.06586	0.5
106.07360	0.8
115.96432	1.3
116.07044	0.6
118.06536	0.5
134.03288	0.3
134.06012	5.7
134.07024	1.7
134.09650	100.0
141.41238	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	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06349	0.1
54.98634	0.1
55.05498	0.1
56.96571	11.9
57.03434	0.1
57.97341	0.1
62.02451	0.1
64.79501	0.1
71.02983	2.3
71.04987	0.1
71.95255	1.0
74.93804	0.1
79.05494	0.8
80.03501	0.5
82.25041	0.1
82.53776	1.0
91.05473	0.4
91.54285	0.2
93.04508	0.1
93.07042	0.5
94.02643	0.1
95.04980	0.2
97.99160	0.1
98.97581	100.0
100.02485	0.4
102.02242	0.1
105.07010	0.2
107.04948	1.5
107.08586	2.0
109.06398	0.1
111.53482	0.7
112.02805	0.1
112.03526	0.8
113.12106	0.1
114.53011	0.1
114.54014	0.1
116.98613	75.2
117.06989	0.1
118.99086	0.1
120.53945	0.2
121.01656	0.1
121.02862	0.4
121.04079	0.3
128.98621	0.1
131.00168	0.2
132.49683	0.1
133.01608	0.1
134.99652	36.1
135.04402	1.8
135.05504	0.5
135.06535	1.0
135.08075	1.1
135.11688	0.8
140.00186	1.9
141.50212	0.1
144.03230	0.1
149.01196	0.3
153.00703	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.05719	0.3
53.03957	0.7
55.01876	0.4
59.04987	0.4
63.02372	1.0
79.05045	0.7
79.05494	16.7
89.03915	35.7
89.68281	0.4
91.05469	0.4
93.07022	1.9
95.04957	2.9
95.98029	0.5
98.97578	3.1
105.04521	0.7
107.04953	20.3
107.05688	0.7
107.08589	4.0
112.14701	0.4
116.98567	0.9
117.03369	29.8
119.36611	0.5
129.72357	0.5
135.04413	100.0
135.08026	6.1
135.09988	2.7
135.11681	1.0
136.94716	0.5
145.03976	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03948	0.5
55.01864	0.3
56.96570	0.3
67.05507	0.3
71.02989	1.0
78.82028	0.2
79.05496	11.6
89.03917	8.3
91.05499	2.7
93.07037	3.5
95.04974	1.9
98.97593	2.2
105.04504	0.6
105.07020	1.2
106.55295	0.3
107.04959	12.2
107.08600	6.3
109.06554	0.5
116.98602	0.6
117.03381	6.8
117.07015	1.2
119.06070	0.3
119.08569	0.5
127.20252	0.3
133.02818	0.4
135.04419	100.0
135.08031	6.7
135.10017	4.4
135.11641	4.1
145.03946	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.66627	0.3
53.03951	0.3
54.41650	0.3
55.01877	3.0
56.45239	0.4
56.51130	0.3
62.02451	0.7
63.21892	0.3
65.03936	2.0
66.74696	0.4
67.05502	0.9
71.02984	13.8
71.39559	0.4
71.58628	0.3
79.05492	31.5
80.03505	3.6
82.53779	5.1
83.82676	0.3
89.15110	0.3
91.05473	25.3
92.06262	0.4
93.07043	5.9
94.04565	0.4
95.04973	0.6
105.07030	19.5
107.04960	4.7
107.08591	64.8
109.06512	7.4
115.05442	4.4
117.07015	15.3
119.06058	5.3
124.05264	0.4
135.04550	3.0
135.08047	100.0
135.11649	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	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
55.01871	3.2
59.52183	0.4
62.02460	0.8
65.03944	1.7
67.05495	2.0
69.03424	0.6
71.02988	13.8
77.03938	0.4
79.05497	33.1
80.03511	4.0
81.07075	0.7
82.53786	6.3
89.19967	0.3
91.05481	23.5
91.54278	1.5
92.06261	0.5
93.07050	7.9
95.04948	1.6
101.78017	0.3
103.53307	0.3
105.07033	19.9
105.07736	0.7
107.04949	5.7
107.08595	56.7
109.06524	7.5
110.65195	0.3
115.05444	5.0
117.07014	14.9
119.06062	4.9
119.08559	0.6
135.04430	1.8
135.08052	100.0
135.11670	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	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
52.07124	0.4
53.42475	0.5
55.01872	3.9
61.98549	0.5
65.03934	2.7
67.05492	2.1
68.53037	0.5
71.02974	9.9
75.75758	0.5
79.05492	38.3
79.45567	0.6
80.03499	1.3
82.53780	5.0
91.05476	29.8
93.04527	3.9
93.07036	8.4
94.05293	3.5
95.04969	0.9
95.06087	0.7
105.07027	21.6
107.04942	3.2
107.08588	64.7
108.06871	0.6
109.06505	10.4
115.05435	6.2
117.07006	17.3
119.06056	6.4
119.08555	1.0
134.07147	3.6
134.72417	0.5
135.04504	1.3
135.05591	1.8
135.06592	6.3
135.08041	100.0
135.11688	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
55.01881	3.0
62.02451	0.5
65.03932	1.6
67.05507	2.4
69.03424	0.6
69.07574	0.3
70.11504	0.3
71.02987	13.3
74.84778	0.3
75.33855	0.4
79.05493	35.1
80.03501	2.9
81.07072	0.4
82.53774	5.7
91.05476	24.4
92.06254	0.5
92.17858	0.6
93.07032	7.3
95.04943	0.8
95.08641	0.4
99.09968	0.3
103.39205	0.3
105.04475	0.5
105.07031	19.3
107.04947	4.4
107.08591	56.0
109.06506	7.0
115.05447	5.9
117.07011	16.8
119.06058	4.8
119.08610	0.5
135.04407	1.8
135.08046	100.0
135.11644	5.5
143.19342	0.4
149.90736	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
55.01868	2.3
64.18217	0.4
65.03938	2.1
67.05498	1.9
71.02981	0.7
71.27619	0.4
79.05494	35.4
80.03503	0.5
85.45358	0.4
91.05476	24.0
93.07053	6.8
105.07033	21.1
107.04954	2.0
107.08590	56.4
109.06501	8.1
113.60589	0.6
115.05458	5.2
117.07011	15.4
117.54427	0.5
118.61050	0.4
119.04826	0.6
119.06063	5.2
119.08564	0.7
120.73203	0.5
124.91404	0.5
133.93298	0.5
135.08049	100.0
135.11662	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
55.01878	1.6
56.16570	0.3
57.36768	0.3
62.02451	0.4
65.03944	0.7
71.02586	0.4
71.02986	11.8
79.05496	8.2
80.03500	3.2
82.53780	4.0
84.76101	0.3
90.09555	0.3
91.05475	17.8
91.59068	0.3
93.07027	2.1
95.04938	0.5
105.07027	7.2
106.04176	0.5
107.04977	3.9
107.08589	32.6
109.06508	4.9
115.05447	18.3
116.06243	1.3
117.07013	23.7
119.06069	3.1
119.08587	1.3
133.06483	1.6
135.04480	3.4
135.08047	100.0
135.11589	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
59.57873	0.3
65.03965	0.8
71.02986	10.1
79.05488	4.6
80.03490	2.8
82.53779	2.8
83.88927	0.4
89.50900	0.3
90.67352	0.3
91.05475	14.9
91.06026	0.7
93.07050	0.9
105.07030	11.2
107.04950	1.4
107.08591	100.0
109.06515	6.4
119.06060	4.8
126.90343	0.4
135.04417	1.4
135.08046	20.1
135.11699	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05505	3.7
57.07056	1.2
69.07053	1.1
74.37965	0.6
74.70067	0.6
79.05494	8.6
80.50446	0.6
91.05475	16.1
93.07038	41.7
95.04945	1.4
105.07024	9.2
107.08588	100.0
109.06519	1.3
117.00757	0.7
117.07032	0.8
119.06113	0.9
119.08572	16.0
120.09356	4.4
135.11681	72.9
140.14107	0.8
147.09146	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
51.78026	0.2
53.03960	0.5
54.17593	0.3
55.05516	5.1
57.07071	0.5
59.89534	0.3
64.43269	0.3
64.43605	0.3
67.05507	0.8
69.07073	2.6
77.03911	0.6
79.05493	12.8
79.12388	0.3
81.07057	2.0
84.49458	0.3
91.05472	11.8
93.07041	55.0
94.07822	0.8
95.04965	1.8
105.04526	0.6
105.07004	5.1
105.07536	0.3
107.08592	100.0
109.06522	2.4
119.06043	0.8
119.08578	3.3
120.09353	1.2
133.10104	0.5
135.08058	0.7
135.11688	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	0.7
55.01867	0.8
55.05521	7.8
56.96566	0.9
57.07069	1.0
63.45469	0.5
65.03936	0.8
67.05511	5.0
69.03410	0.5
69.07064	5.3
71.02991	8.6
73.46821	0.5
75.22025	0.5
75.35216	0.5
75.44695	0.6
77.03917	0.8
79.05499	31.5
80.03500	2.3
81.06639	0.5
81.07065	5.2
82.53772	2.5
89.03915	11.2
91.05478	19.4
93.07042	71.4
94.06534	0.7
94.07787	0.5
95.04955	6.0
98.97610	3.8
105.04507	2.9
105.07038	9.4
106.07843	0.6
107.04951	14.8
107.08592	100.0
109.06515	2.8
109.89301	0.5
115.05433	1.1
116.98669	1.7
117.03376	9.1
117.07008	3.2
119.06026	1.3
119.08566	8.2
120.09368	1.0
134.99654	0.9
135.04427	42.4
135.05475	2.8
135.06526	8.8
135.08046	31.3
135.11688	76.6
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	o-Cymol
Peak:m/z	Relative Intensity
53.03960	5.6
55.01871	0.8
55.05518	6.8
55.10040	0.4
56.96553	0.8
57.07071	0.5
58.64308	0.4
60.47768	0.4
65.03927	0.5
67.05493	3.0
69.07064	3.5
71.02982	2.1
75.13287	0.4
76.77766	0.4
77.03941	3.5
79.05495	30.3
81.05273	0.5
81.07056	3.6
89.03916	4.0
91.05482	12.3
92.02618	3.1
93.07043	57.8
95.04974	17.5
98.97578	0.7
105.03397	0.6
105.04516	7.2
105.07030	4.2
107.04955	20.4
107.08595	66.9
109.06528	1.1
112.04690	3.3
117.03384	2.5
117.07017	2.2
119.06092	0.9
119.08556	3.2
120.02063	0.6
120.09329	1.0
135.04417	100.0
135.08040	10.0
135.11690	52.1
138.03047	0.5
142.38438	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.02271	0.3
55.01878	0.5
55.05527	3.2
55.87454	0.3
59.52216	0.4
62.02456	2.3
65.03947	0.6
67.02956	0.4
67.05513	25.4
69.07071	5.1
71.02992	27.3
71.53049	0.6
73.53252	0.5
77.03916	0.3
79.05502	28.8
80.03523	5.4
81.07066	11.6
82.53780	10.4
89.03983	0.4
91.05482	7.6
91.54281	1.3
93.04517	0.5
93.07047	52.1
94.04036	0.5
94.04597	0.5
94.06535	1.5
95.04991	2.6
105.07046	2.2
106.86003	0.3
107.04949	3.1
107.08601	40.9
109.06544	0.6
115.05424	0.7
115.60406	0.4
117.07030	1.9
119.06068	0.6
119.08583	0.5
125.42641	0.4
133.10110	0.6
135.04427	2.4
135.05592	1.2
135.06631	4.4
135.08067	19.7
135.11697	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	136.052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72454	0.7
58.02959	3.2
60.72527	0.7
66.04723	1.2
79.05499	27.7
80.05840	1.4
80.06280	25.8
80.79557	0.7
81.45523	0.7
83.03123	0.7
90.04199	0.8
90.04707	2.6
91.05505	1.5
94.04203	1.1
95.04956	1.6
104.68466	0.8
105.03410	1.4
107.04951	14.5
108.05755	19.4
108.08969	0.8
112.63889	0.9
118.04214	8.3
119.04927	3.1
119.36107	0.8
135.04466	5.4
136.02177	34.3
136.05190	100.0
136.06197	26.3
136.07518	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
63.22383	0.1
67.02988	0.1
69.46861	0.1
89.48885	0.1
91.05486	1.2
94.04036	0.9
100.12004	0.1
102.19733	0.1
109.05141	0.2
119.03555	2.3
119.04920	0.7
136.06183	100.0
137.04619	1.0
149.72519	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	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06650	0.3
51.95837	0.3
67.35047	0.3
74.10004	0.4
76.93396	0.4
94.04041	0.6
119.03529	1.9
136.02151	4.4
136.06183	100.0
137.04613	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	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
50.00836	0.4
53.43137	0.4
58.02962	1.9
58.43064	0.4
64.37962	0.5
65.03951	0.9
68.05037	2.0
72.02851	2.3
80.05775	0.5
83.53665	0.4
84.88776	0.4
86.56848	0.4
87.35594	0.5
91.05476	100.0
94.09916	0.5
95.04971	0.9
95.06080	2.5
96.06876	1.8
105.03374	2.8
105.06937	0.4
108.08952	0.9
109.07657	1.1
118.06532	76.2
119.04934	56.0
124.16802	0.5
136.02161	28.8
136.05045	1.8
136.06148	3.8
136.07561	26.4
136.08624	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	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
57.07074	0.4
61.69860	0.2
63.49392	0.2
65.03938	0.3
66.04719	0.4
67.05506	2.9
69.07052	0.3
79.05492	1.9
81.07058	8.6
91.05472	2.1
92.39030	0.3
93.07050	1.0
94.04188	5.7
95.04983	0.5
95.08605	9.5
107.04932	0.4
107.08582	0.3
109.06486	1.0
109.10141	2.4
122.03639	18.0
122.07339	0.3
137.02538	1.9
137.05974	100.0
137.09563	6.1
137.13222	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
66.04729	0.5
75.09910	0.4
79.05497	0.9
81.07034	1.0
91.05461	1.6
94.04176	6.4
97.28374	0.4
107.04979	0.7
122.03634	19.2
135.71304	0.4
136.36568	0.4
137.05965	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.94407	0.3
57.53575	0.3
66.04710	0.6
75.89762	0.3
79.05499	1.2
81.07052	1.4
91.05470	1.5
92.18430	0.7
94.04186	5.9
99.17729	0.4
107.04911	0.5
109.06541	0.4
119.04937	0.4
122.03639	20.9
137.05974	100.0
146.25362	0.4
146.53468	0.3
151.19212	0.3
155.34232	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
51.96511	0.3
56.25314	0.3
66.04723	0.5
79.05486	1.5
81.07065	0.4
88.01248	0.3
91.05472	1.8
94.04184	6.0
94.65861	0.3
95.66280	0.3
101.37052	0.3
107.04922	0.7
111.35674	0.4
113.25529	0.3
122.03643	18.0
136.63210	0.3
137.05975	100.0
142.24094	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.83893	0.2
55.01873	0.2
65.03954	0.4
66.04719	0.6
67.05513	0.4
79.05486	1.6
81.03392	0.5
81.07074	2.5
88.67667	0.3
91.05481	16.8
92.18481	0.3
94.04177	5.6
95.04964	0.7
95.08603	0.5
96.19394	0.3
103.82829	0.2
107.04941	0.6
109.06519	2.7
109.10150	0.4
119.04944	9.6
122.02739	0.3
122.03642	15.3
137.02542	2.1
137.05975	100.0
137.09518	2.3
144.97679	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
56.71856	0.2
59.30482	0.2
62.22825	0.2
65.03938	0.3
66.04721	0.4
67.05503	2.1
71.72855	0.2
79.05503	1.3
81.07056	2.0
91.05457	2.2
93.07038	0.4
94.04187	5.2
95.04986	0.5
95.08595	1.2
107.04955	1.3
109.06496	0.4
109.10164	5.1
119.08569	1.7
122.03641	18.4
122.07275	7.1
135.04420	0.3
135.08051	0.3
137.05977	100.0
137.09602	22.4
140.75589	0.3
155.86589	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	137.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04701	0.4
67.49890	0.3
68.71467	0.3
70.53893	0.4
79.05492	1.3
81.07043	1.3
83.15836	0.4
91.05445	1.9
94.04186	7.0
107.04929	0.8
109.06476	0.5
122.02733	0.5
122.03645	19.6
137.05943	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.40153	0.3
55.01867	0.4
55.05493	0.4
55.37208	0.3
57.07085	3.9
65.03933	0.5
66.04725	0.7
67.05510	5.8
67.51744	0.3
68.31313	0.2
69.07055	1.9
71.08588	0.3
79.05490	3.0
81.07059	25.0
83.08662	0.3
91.05479	2.6
92.77354	0.3
93.07034	1.9
94.04180	5.1
95.04949	1.7
95.08603	36.6
107.04967	0.5
107.08594	0.5
109.06498	1.7
109.10156	7.1
109.10838	0.5
119.04922	0.4
119.08569	1.3
122.03643	19.7
122.07276	1.4
122.70718	0.3
137.05975	100.0
137.09601	13.9
137.13246	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03950	0.5
55.01873	0.8
55.05519	4.8
57.03441	0.7
61.10370	0.4
65.03934	2.1
66.04700	0.7
67.05506	40.5
69.03417	1.8
69.07056	3.2
69.28275	0.4
77.03941	0.5
79.05491	5.2
81.03409	2.1
81.06581	0.6
81.07056	15.2
91.05473	16.4
93.07040	14.6
94.04182	6.5
95.04967	12.5
95.08017	0.8
95.08598	16.5
105.04517	0.4
105.07013	3.8
105.57554	0.4
107.04936	1.7
107.08593	45.3
109.06516	40.1
109.10155	60.9
117.07018	1.7
119.04978	0.5
119.06071	3.1
119.08569	20.0
122.03638	19.7
122.07254	3.4
135.04399	0.5
137.05975	100.0
137.09608	73.8
137.13229	0.6
148.15587	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.38952	0.4
57.95444	0.4
67.05178	0.5
67.05511	7.0
69.07047	0.4
79.05473	0.5
81.07037	1.8
91.05484	1.7
92.30177	0.4
93.07014	0.5
94.04187	0.7
95.04939	0.4
95.08593	3.1
107.04936	2.1
107.08598	0.6
109.06563	0.7
109.10153	18.3
109.10912	0.6
119.08574	7.2
121.06513	2.0
122.03636	2.6
122.06428	0.8
122.07284	24.4
135.08044	0.7
137.05983	17.6
137.09610	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.67669	0.2
53.03963	0.3
55.05516	1.6
57.07084	9.5
65.03947	0.3
67.05511	12.9
69.03436	3.6
69.07076	7.0
71.05000	0.4
71.08628	1.2
72.67853	0.2
73.09413	0.2
79.05497	5.6
81.03444	0.5
81.07060	98.4
91.05480	3.6
91.92509	0.2
93.07048	4.2
94.04170	1.4
95.04964	2.3
95.08605	100.0
107.08598	0.5
109.06528	2.7
109.10162	9.6
113.87876	0.2
119.04984	0.4
119.08553	1.8
122.03648	3.1
122.07285	0.4
135.11644	0.4
137.02408	4.7
137.03484	1.4
137.05986	24.5
137.07053	1.4
137.08040	0.7
137.09622	15.6
137.13254	37.4
137.93976	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	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.00287	0.2
53.03944	0.4
53.52530	0.2
55.05515	2.4
56.38768	0.2
57.06818	0.4
57.07082	9.2
64.24255	0.2
65.03930	0.5
67.05164	0.4
67.05505	10.3
69.07069	6.5
69.91247	0.3
71.08624	0.6
79.05495	5.9
81.03419	0.5
81.07059	79.4
84.82507	0.3
91.05457	0.9
92.18492	0.2
93.07048	3.1
94.04176	0.6
95.04973	0.5
95.08602	100.0
102.52321	0.3
105.52320	0.3
107.08596	0.3
109.06522	1.0
109.10155	8.0
119.08575	0.4
119.09467	0.2
122.03644	2.5
122.07332	0.3
127.03905	0.5
135.11694	0.3
137.02357	6.8
137.03482	1.6
137.05974	18.4
137.06969	0.7
137.09602	3.6
137.13248	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1373.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04956	18.1
97.06521	5.3
98.74476	0.7
99.04450	1.5
103.05467	0.8
105.03396	100.0
105.04508	3.8
105.07022	7.6
105.90462	0.6
107.04964	1.1
109.06522	12.0
111.08058	1.7
113.06004	7.7
115.04532	0.6
115.05434	3.8
115.18848	0.7
117.07019	10.4
119.04933	5.2
119.08533	0.8
121.06471	1.5
123.04426	7.3
123.08059	1.4
125.05988	9.5
127.07597	0.8
128.06212	3.7
129.07022	6.9
131.04895	1.2
131.08534	3.3
132.80676	0.7
133.06505	5.2
135.08032	1.0
137.05946	1.7
139.07541	4.2
141.05440	1.2
141.06982	6.7
142.07799	1.2
143.08568	5.6
145.06490	14.1
145.10091	0.8
147.08046	6.5
149.06001	1.3
151.07520	3.3
152.06116	1.0
153.07019	1.2
155.07167	1.3
155.08543	9.2
157.06422	5.7
157.10095	4.2
159.08051	7.4
161.05977	4.8
163.07516	2.7
165.06969	7.2
166.07800	2.7
167.08527	9.3
168.05800	0.8
168.09331	0.7
169.06477	5.0
169.10112	3.8
171.08046	6.6
173.05989	1.2
173.09644	1.3
175.07527	7.3
177.09062	1.2
178.07790	4.2
179.08536	9.0
180.09293	5.1
181.08601	2.5
181.10066	14.0
182.10922	1.1
183.08031	11.9
183.11671	4.3
185.05960	1.2
185.09586	5.2
185.13219	0.9
187.07555	4.5
189.09045	0.9
190.07793	1.0
191.08574	1.6
192.09331	4.6
193.08479	1.3
193.10107	14.8
194.10966	5.0
195.08041	5.9
195.11681	15.7
196.08803	1.0
197.05936	1.1
197.08038	1.4
197.09633	7.9
197.13237	1.4
199.07597	5.4
199.11224	4.8
201.09102	3.0
202.07750	1.1
203.08565	3.3
204.09344	5.5
205.08438	0.9
205.10196	7.5
206.10910	3.8
207.08028	1.6
207.11644	9.5
208.08788	5.4
209.09590	9.6
209.13222	10.6
211.07544	3.1
211.11166	6.6
212.08316	1.1
213.09108	4.3
213.12694	6.9
216.09360	1.2
217.10080	2.7
218.10899	5.1
219.08130	2.4
219.11697	15.5
220.08879	1.2
220.12553	1.2
221.09665	10.6
221.13184	6.1
222.10419	7.4
223.07588	1.5
223.11160	20.3
223.14703	2.2
225.09074	3.9
225.12758	5.4
227.10658	1.3
227.14146	0.8
229.10258	1.0
231.11652	2.8
232.08824	3.2
233.09688	1.6
233.13229	6.9
234.10381	2.7
235.11182	11.7
236.12004	3.6
237.09088	2.5
237.12689	18.4
239.10715	5.1
239.14331	1.3
241.12209	11.1
243.11769	1.1
246.10486	2.8
247.11186	6.8
249.09163	2.6
249.12714	7.4
250.09962	1.0
251.10687	3.7
251.14218	5.5
253.12221	12.0
255.13756	5.4
259.11166	1.0
261.12796	6.6
263.10715	3.8
264.11432	1.3
265.12201	22.2
267.10095	1.3
267.13730	4.2
269.15350	1.2
277.12296	7.1
279.13766	14.6
281.11731	3.3
283.13266	24.9
289.12122	3.8
291.13647	0.9
295.13303	20.2
297.14932	9.1
307.13245	20.4
313.14249	9.6
321.15146	0.9
325.14319	58.9
337.14212	2.7
343.15399	16.0
349.14005	0.8
353.15329	1.7
355.15430	7.2
361.16620	0.8
367.15424	16.5
373.16403	3.1
385.16403	25.5
415.17554	1.6
417.16675	0.9
427.17523	11.8
429.16882	1.4
445.18607	13.7
447.17990	9.7
487.18964	1.4
489.19037	3.9
507.20193	14.1
519.20520	0.9
549.21198	16.5
567.22406	0.9
609.23395	19.8
651.24384	1.2
669.25446	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1374.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04968	14.4
95.08607	4.1
101.35216	0.9
103.05474	4.1
105.03394	76.9
105.04518	4.8
105.07021	17.8
107.04936	2.0
107.08586	5.5
109.06512	2.0
109.10144	1.2
115.05444	1.7
117.07019	4.4
119.04945	13.6
119.08570	12.0
121.06498	11.1
121.10131	9.7
123.04410	1.5
123.08033	4.8
128.06221	1.9
129.06960	2.2
131.08559	5.1
132.58661	1.0
133.06482	11.9
133.10126	8.4
135.04396	1.3
135.08049	6.1
141.07062	1.0
142.07765	1.2
143.08562	5.4
145.06494	2.0
145.10098	4.7
147.08046	6.6
149.06001	6.4
149.09630	7.2
151.07523	2.3
153.07056	1.4
155.08537	4.1
156.09259	1.7
157.06485	1.4
157.10034	7.1
159.07988	7.3
159.11708	2.0
161.05966	4.4
161.09576	10.5
163.07538	1.4
165.05460	2.1
165.06990	2.2
166.07771	1.7
167.07118	2.2
167.08551	4.0
169.10092	8.4
171.08043	2.4
171.11676	6.0
173.09616	6.1
175.07553	4.4
177.09148	4.1
178.07771	3.9
179.07106	1.7
179.08458	7.4
179.10745	1.3
180.09335	2.4
181.06505	1.0
181.10095	6.4
182.08130	84.6
182.10788	3.4
183.08044	3.9
183.11653	8.3
185.09557	1.8
185.13269	1.1
185.45738	1.3
187.07503	2.4
187.11121	1.7
189.09146	2.0
191.08585	2.1
192.09357	1.6
193.10126	10.0
194.10834	7.0
195.08084	1.8
195.11700	9.9
196.12411	1.2
197.09613	6.3
197.13268	4.7
199.11195	2.2
201.09161	1.2
201.12735	1.2
205.10143	1.9
206.10861	9.4
207.11700	6.2
208.12410	1.5
209.09546	7.2
209.13145	10.6
210.10397	1.7
211.11200	7.4
211.14856	5.4
213.09093	1.3
213.12778	3.5
217.10168	1.3
219.11800	1.9
220.12473	8.7
221.09688	2.3
221.13219	6.1
222.10442	2.4
223.11198	9.4
223.14745	2.1
224.11790	3.0
225.09169	1.7
225.12738	4.8
225.16373	3.7
227.10799	1.7
227.14262	4.5
233.09686	1.7
234.10493	1.7
235.14874	6.5
237.12723	7.9
238.13448	2.3
239.10683	1.8
239.14281	7.9
241.12289	2.1
245.13345	1.5
247.11012	1.2
248.12003	5.1
249.12785	4.9
250.09805	1.2
250.13377	1.4
251.10606	1.7
251.14359	2.1
253.12238	1.0
253.15828	5.6
255.13756	1.9
257.11606	1.4
263.14322	10.0
265.12454	1.3
265.15668	1.1
266.13101	1.3
267.13855	5.4
269.11673	1.4
269.15375	1.1
273.12851	1.9
279.13785	1.9
281.15314	12.6
285.15024	1.6
287.12747	1.4
291.13779	7.1
297.14862	4.8
299.16428	4.1
309.14810	15.7
315.15897	1.6
327.15915	26.7
329.80029	1.0
345.16949	4.2
358.83878	1.1
369.16895	1.8
387.18018	8.2
431.18347	2.1
447.20215	1.6
449.19421	5.1
461.11011	1.0
477.36624	1.1
509.21707	100.0
569.23846	40.3
734.66669	1.1
750.31354	18.1
1374.52454	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	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
54.59534	0.1
67.94937	0.2
76.57060	0.1
78.03447	1.5
78.89124	0.2
79.04231	0.6
82.07368	0.2
84.77287	0.1
93.05750	0.2
94.06535	0.2
95.08557	0.2
96.04487	2.8
96.08937	0.5
97.98775	0.1
107.73359	0.1
108.04485	0.9
109.05235	0.2
110.06075	0.2
124.03943	1.2
138.05498	100.0
144.24805	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	139.039
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.00317	2.1
53.03962	0.2
55.01868	0.4
55.05507	0.4
56.96582	1.9
65.03944	3.6
67.01834	0.2
67.05494	1.2
68.99784	1.1
77.53586	0.2
83.04969	1.2
93.03394	2.7
93.07043	0.3
95.04949	0.9
95.08566	0.2
97.02882	0.4
111.04438	5.3
121.02870	7.8
139.03903	100.0
139.11211	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	139.039
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
52.35716	0.3
53.03939	0.5
53.34453	0.3
55.01877	2.3
55.05486	0.4
56.00620	0.3
56.96563	0.3
57.33495	0.3
65.03689	0.3
65.03951	4.8
67.01853	0.7
67.05507	5.4
68.99782	3.8
69.03449	0.4
79.01878	0.3
83.04977	2.8
86.92881	0.3
93.03402	7.3
93.24042	0.3
95.04971	3.3
97.02875	1.2
111.04435	12.1
121.02889	0.6
132.13445	0.3
139.03905	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	139.039
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
52.15113	0.3
53.03943	1.3
54.33813	0.3
55.01874	1.3
56.99668	0.3
57.01500	0.3
60.75715	0.3
62.02692	0.3
65.03944	3.8
67.01868	0.8
67.05507	4.7
68.99784	3.5
69.03410	0.5
71.01350	0.5
83.04964	1.8
86.05589	0.3
93.03394	6.4
95.04934	2.5
97.02897	1.5
111.04425	10.9
139.03893	100.0
148.12387	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	139.039
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
53.00319	2.4
55.01881	0.5
56.96557	0.5
65.03940	3.6
65.78312	0.2
66.79911	0.2
67.05508	0.6
68.99788	1.9
83.04980	1.0
88.77196	0.3
93.03406	2.3
95.04948	0.5
96.02114	0.4
104.94295	0.3
111.04440	6.3
112.48350	0.2
121.02871	4.1
139.03900	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03961	0.4
53.33027	0.3
53.64395	0.3
55.01865	1.5
55.05499	0.6
55.92231	0.4
56.96290	0.4
56.96568	9.9
65.03629	0.6
65.03945	14.5
67.01859	0.5
67.05498	2.7
67.79184	0.3
68.66515	0.3
68.99789	3.0
69.03462	0.3
70.58442	0.3
70.78611	0.3
71.26456	0.3
80.38468	0.3
83.04965	2.0
93.03402	31.7
95.04951	1.9
96.77036	0.4
97.02886	0.8
97.99216	0.4
111.04436	60.7
121.02856	0.9
121.10122	0.5
121.83755	0.4
128.60504	0.4
137.07483	0.4
139.03902	100.0
139.11160	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	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.75526	0.3
55.01881	2.3
55.05507	0.8
56.96572	0.6
59.73679	0.3
65.03947	6.2
67.01855	0.6
67.05512	4.0
68.99788	3.7
83.04984	3.1
91.20284	0.4
93.03407	10.7
95.04977	3.6
97.02879	1.4
103.70276	0.3
110.73559	0.3
111.04437	17.8
111.05212	0.6
121.02872	1.9
139.03902	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	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.01865	1.4
55.05500	0.4
56.96528	0.3
65.03941	3.4
67.01849	0.8
67.02505	0.3
67.05510	4.2
68.99792	4.0
69.00107	0.6
69.03424	0.5
83.04974	2.0
85.51196	0.4
89.61760	0.3
93.03402	6.5
95.04976	1.9
97.02861	1.5
99.00737	0.4
111.04439	11.1
121.02826	1.3
139.03899	100.0
141.66823	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	1390.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06527	2.0
99.04456	0.6
103.05482	0.2
105.03394	58.1
105.04531	1.9
105.07016	2.3
107.04961	0.2
107.08588	0.2
109.06525	4.1
111.04441	0.2
111.08066	0.8
113.06004	1.9
115.05460	0.9
116.06244	0.1
117.07011	2.3
119.04923	1.2
119.08558	1.0
121.06496	1.4
123.04420	3.1
123.08056	0.7
125.05986	2.9
127.07519	0.2
128.06194	1.1
129.06996	2.3
131.04939	0.7
131.08562	1.3
133.06480	1.3
133.10118	0.2
135.04466	0.1
135.08052	0.8
137.05952	1.5
139.07529	2.3
141.05464	0.6
141.06987	1.2
142.07809	0.1
143.08537	2.2
145.06467	4.0
145.10132	0.5
147.08058	1.6
149.05972	0.7
151.07544	1.0
152.06174	0.2
153.05638	0.2
153.07013	0.9
154.07838	0.2
155.07143	0.4
155.08545	2.7
156.09323	0.2
157.06487	1.7
157.10127	1.3
158.07289	0.1
159.08058	2.3
161.05962	1.6
161.09641	0.5
163.07532	1.2
165.05560	0.2
165.06947	1.9
165.09117	0.2
166.07791	0.7
167.08522	2.1
168.09314	0.1
169.06485	1.5
169.08676	0.2
169.10080	2.1
171.08034	2.7
171.11659	0.7
173.05988	0.6
173.09593	0.9
175.07545	1.6
177.09131	0.7
178.07730	0.9
179.07050	0.4
179.08588	2.2
180.09352	1.1
181.06578	0.7
181.08586	2.1
181.10155	3.8
182.07234	0.2
182.10912	0.1
183.08043	3.7
183.11652	1.3
185.06007	0.8
185.09589	1.9
185.13292	0.2
187.07529	2.3
187.11139	0.1
189.06946	0.1
189.09111	0.9
190.07829	0.4
191.07057	0.2
191.08603	0.6
192.09297	1.1
192.96144	0.1
193.07080	0.1
193.08640	0.4
193.10139	3.7
194.10973	0.9
195.08052	1.8
195.11682	4.6
196.08813	0.5
197.06017	0.2
197.08041	0.4
197.09615	2.3
197.13303	0.7
198.10432	0.2
199.07513	1.5
199.09489	0.2
199.11212	1.8
201.09093	1.6
201.12585	0.1
202.07857	0.5
203.06976	0.3
203.08652	1.2
203.10464	0.1
204.09325	1.7
205.08528	0.3
205.10188	1.8
206.07353	0.1
206.10951	0.9
207.08125	0.7
207.11676	3.6
208.08792	1.0
208.12473	0.6
209.09637	2.9
209.13216	3.2
210.10445	0.3
211.07591	1.7
211.11169	3.0
211.14772	0.2
213.09138	1.3
213.12724	2.4
215.06972	0.3
215.10751	0.5
216.09380	0.5
217.08568	0.1
217.10210	1.3
218.10872	1.5
219.08127	0.4
219.11729	4.3
220.08862	0.4
220.12558	0.4
221.09610	3.1
221.13173	1.9
222.10446	1.6
222.83748	0.1
223.07593	0.2
223.11179	6.2
223.14536	0.9
224.08379	0.1
224.12057	0.4
225.09135	1.9
225.12692	2.3
226.09856	0.2
227.10669	0.9
227.14314	0.8
228.09500	0.2
229.08284	0.9
229.10452	0.3
229.12305	0.6
231.08055	0.2
231.11699	0.6
232.08794	1.0
233.09741	0.9
233.13266	2.4
234.10397	0.9
235.11176	4.1
236.11906	1.0
237.09230	0.8
237.12733	6.8
238.09843	0.2
239.10634	2.4
239.14273	0.8
241.08568	0.2
241.12222	5.0
243.09998	0.5
243.11891	0.5
245.09677	0.6
245.13211	0.2
246.10378	1.4
247.11212	3.3
248.12021	0.6
249.09074	0.5
249.12729	3.4
250.09863	0.6
250.13808	0.1
251.10719	1.6
251.14316	2.7
252.11504	0.3
253.12227	3.5
254.12978	0.2
255.10197	0.6
255.13792	1.9
257.11832	0.2
259.11154	0.2
259.13486	0.2
261.12741	3.7
263.10712	1.4
263.14523	0.3
264.11469	0.8
265.09369	0.3
265.12219	8.0
267.10254	0.8
267.13837	2.2
269.11807	0.7
269.15247	0.8
271.13498	0.4
274.09857	0.2
277.12238	2.3
278.13065	0.1
279.13788	5.3
281.11765	1.0
281.14902	0.2
283.13278	5.3
284.14178	0.1
285.11612	0.1
285.14911	0.5
289.12234	1.5
291.13708	0.2
293.11902	0.1
295.13235	5.9
295.16586	0.2
297.14816	3.1
299.13052	0.2
301.14432	0.6
307.13239	5.8
313.14331	12.3
315.16006	0.5
321.15033	0.2
325.14325	14.6
337.14569	0.5
339.15872	0.3
343.15405	5.1
349.14246	0.2
353.15479	0.8
355.15451	1.2
367.15393	3.2
373.16595	0.3
385.16391	6.5
399.16061	0.2
403.17789	0.2
415.17642	0.4
427.17462	2.3
429.17172	0.5
445.18558	11.7
447.17914	2.4
487.19531	1.6
489.19092	0.8
505.20554	0.9
507.20157	3.4
547.21643	0.9
549.21204	11.3
567.22174	1.9
604.09186	0.2
609.23315	18.1
627.24091	0.7
669.25415	22.0
704.29108	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	1395.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06481	0.1
103.05433	0.0
105.03393	4.0
105.04401	0.1
105.06960	0.2
106.03674	0.1
107.04949	0.1
109.06446	0.3
113.05987	0.3
115.82307	0.0
117.06948	0.1
119.04901	0.0
119.08533	0.1
121.06474	0.1
123.04337	0.2
123.07991	0.1
125.05965	0.2
128.06149	0.1
129.06915	0.2
131.08514	0.1
133.06444	0.1
135.08025	0.1
137.05959	0.1
139.07489	0.1
141.06946	0.2
143.08495	0.3
145.06493	0.1
145.10010	0.1
147.07973	0.3
151.07466	0.1
155.08461	0.3
157.06453	0.1
157.10059	0.2
159.07970	0.2
161.05896	0.1
165.06895	0.1
166.07622	0.1
167.08459	0.3
169.10089	0.1
171.08014	0.1
171.11644	0.0
175.07523	0.1
178.07736	0.0
179.08479	0.1
181.08577	0.1
181.10109	0.3
183.07954	0.3
183.11595	0.2
185.09592	0.2
185.13162	0.1
187.03600	0.1
187.07504	0.1
192.09161	0.1
193.10132	0.3
194.10777	0.2
195.08015	0.1
195.11705	0.4
197.09525	0.1
197.13150	0.0
199.11148	0.1
201.09053	0.2
204.09274	0.1
205.10124	0.1
207.07889	0.1
207.11549	0.3
208.08704	0.1
209.09503	0.2
209.13177	0.3
211.07492	0.1
211.11206	0.4
213.09021	0.1
213.12723	0.1
215.10745	0.1
219.11633	0.2
221.09633	0.4
221.13234	0.2
222.10356	0.1
223.11125	0.4
223.14735	0.1
225.09004	0.1
225.12656	0.2
227.10706	0.1
227.14278	0.1
232.09015	0.1
233.09552	0.1
233.13222	0.2
235.11128	0.2
236.11775	0.1
237.09167	0.1
237.12677	0.6
239.10577	0.2
241.12119	0.2
246.10237	0.1
247.11111	0.2
249.12663	0.2
250.09776	0.1
251.10635	0.1
251.14241	0.3
253.12112	0.2
255.13744	0.3
261.12662	0.2
264.11227	0.0
265.12225	0.4
267.13589	0.1
269.15497	0.1
277.12286	0.1
279.13815	0.4
283.13287	0.2
289.12143	0.1
295.13315	0.2
297.14853	0.3
307.13382	0.3
313.14343	0.1
325.14359	0.6
327.14944	0.1
343.15384	0.2
347.12561	0.3
351.64706	0.0
365.13544	0.5
379.15103	0.1
395.14810	0.1
407.14676	0.7
425.15659	0.9
441.16391	0.1
455.17148	0.1
467.16791	0.7
469.16129	0.4
485.17828	0.9
487.17184	0.2
501.18967	0.4
503.16397	0.1
527.18744	0.2
529.18359	1.2
545.19928	0.8
547.19434	0.3
561.21234	0.2
563.18860	0.1
587.20911	0.2
589.20435	3.2
607.21472	0.4
612.23914	0.1
642.79260	0.1
649.22552	13.5
672.26447	0.1
673.26007	0.1
705.29968	0.1
706.29956	0.3
707.29620	0.2
709.24640	100.0
1395.49377	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30759	0.4
56.96573	12.5
58.56821	0.5
59.25422	0.5
65.40627	0.5
71.01778	0.5
94.93089	0.5
98.97583	100.0
102.14352	0.5
116.98618	31.8
134.99663	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77927	0.4
53.24813	0.4
56.96572	24.0
65.21416	0.4
70.62886	0.5
71.95242	0.8
74.09723	6.4
83.78762	0.4
92.18469	0.6
97.99250	0.5
98.97581	100.0
108.01540	0.8
114.08918	0.5
116.98616	34.2
119.01815	0.6
122.04327	0.6
126.02621	0.7
134.99673	5.8
140.00169	0.6
140.03380	1.8
140.05380	0.6
140.05862	0.7
140.06859	8.4
145.54715	0.5
145.57928	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	140.0706
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
55.39985	0.2
56.96562	1.5
57.93553	0.5
66.04305	0.2
80.04997	0.2
82.02933	0.5
86.09338	0.2
87.35070	0.2
90.74076	0.2
92.18459	0.5
97.05267	3.5
98.97591	4.7
98.98238	0.4
98.98450	0.2
108.81297	0.2
110.32011	0.2
112.04041	0.2
112.04755	0.4
112.07584	0.4
116.97242	2.4
116.98604	1.9
122.05981	0.3
125.04730	6.2
140.07063	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	141.0546
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
53.03944	1.0
55.05508	0.2
57.65664	0.2
61.80773	0.2
67.01857	1.1
67.05497	0.3
68.99774	0.9
71.04977	0.3
81.03417	6.8
81.72456	0.2
82.01442	0.2
85.02883	0.2
85.06544	0.4
92.17882	0.3
95.04971	2.6
97.38969	0.2
98.03657	2.0
99.04441	0.4
100.02460	0.5
107.05597	0.2
109.02882	5.1
109.80695	0.2
111.40392	0.2
113.05989	2.8
123.04405	2.3
126.03119	3.9
127.03896	1.8
141.05458	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	141.0546
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
53.03944	0.5
67.01859	1.0
68.99798	0.3
71.68585	0.2
73.06575	0.2
81.02981	0.4
81.03419	6.1
85.06551	0.2
85.37196	0.2
95.04973	2.7
98.03672	1.8
105.83546	0.2
108.02048	0.3
109.02876	6.0
113.05989	1.9
123.04417	1.3
126.03126	3.9
127.03898	2.1
141.05457	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76257	0.3
66.94418	0.3
70.07806	0.3
71.54211	0.3
82.01442	3.4
82.99849	6.9
83.01499	7.4
83.02260	0.3
90.36173	0.4
93.76337	0.3
98.34084	0.3
98.99339	0.3
100.02498	4.1
101.00883	71.2
101.02554	10.6
118.03522	0.5
119.01915	100.0
122.09740	0.4
124.02443	14.6
137.02957	12.2
142.03499	55.3
160.04536	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39315	0.6
70.62778	0.6
74.79863	0.7
78.67567	0.6
82.01444	4.7
82.99369	0.6
82.99821	5.1
83.01494	16.5
100.02463	6.4
101.00879	64.0
101.02540	20.2
119.01911	100.0
119.03609	4.9
124.02433	15.3
130.53978	0.7
134.36382	0.8
137.02953	10.7
142.03490	55.2
142.53578	0.6
160.04523	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	142.05
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.2
58.32831	0.2
68.05017	1.3
69.03389	0.2
70.06593	0.3
71.07665	0.2
72.94116	0.2
78.03445	3.1
82.03746	0.4
96.04501	0.4
101.03535	0.2
106.02921	1.7
118.96745	1.3
124.03947	0.7
138.20398	0.2
141.06999	0.4
142.04994	100.0
142.12302	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	142.0499
Annotation	Antibiotic MM 14201
Peak:m/z	Relative Intensity
55.96785	0.3
58.06591	0.3
60.18951	0.2
60.29458	0.2
64.88921	0.2
68.05012	1.4
69.03420	0.2
69.32915	0.2
75.12192	0.2
78.03451	3.2
78.62150	0.2
79.31761	0.3
82.03745	0.2
86.06039	0.4
96.04471	0.4
96.38549	0.3
100.98881	0.3
101.03419	0.2
106.02935	2.1
117.08753	0.2
118.96738	0.5
124.03941	0.9
131.93712	0.2
141.06982	0.3
142.04994	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	143.0856
Annotation	1-Methylnaphthalene
Peak:m/z	Relative Intensity
56.05037	0.4
56.83018	0.2
56.96571	18.6
58.50539	5.3
59.06121	0.5
60.04539	0.5
60.95850	0.5
61.00808	1.6
67.51070	11.4
69.03429	0.3
70.01335	19.5
70.06586	0.9
74.06076	0.3
76.51579	4.8
79.01858	100.0
79.52039	0.5
81.52129	3.1
84.04508	0.4
85.01847	0.4
85.02914	0.5
85.52079	0.4
86.02591	0.2
88.02374	47.7
88.52542	0.4
90.52638	16.3
91.02808	0.4
95.03146	0.3
97.02885	2.6
97.10120	0.3
99.53160	7.1
101.07151	1.0
101.09061	0.3
101.24371	0.2
102.03402	1.2
102.05560	0.5
102.09182	1.1
111.03931	1.0
115.05505	0.4
115.08670	0.4
125.02345	3.9
128.06213	20.4
141.06992	0.4
142.07486	0.3
143.03395	17.9
143.04524	0.6
143.08563	34.1
143.11734	0.9
145.06479	1.2
155.06020	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96596	0.3
58.38876	0.2
60.95885	1.7
75.85305	0.3
77.47462	0.3
84.01191	2.3
84.96026	3.3
84.99591	3.8
85.00937	0.3
85.01546	1.1
96.50575	0.6
98.06062	0.7
100.02426	0.5
101.00890	0.7
102.00976	1.8
102.02241	3.4
102.96871	9.9
103.00637	53.0
103.01267	3.6
103.02578	1.9
119.01897	1.7
120.01986	2.2
120.03279	0.4
120.97897	4.1
121.01655	100.0
123.02052	0.3
126.02180	14.3
132.49744	1.2
135.03217	0.3
138.98965	0.3
139.01692	0.6
139.02679	13.0
141.50256	0.4
142.03442	1.1
144.03210	51.6
162.04262	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96593	0.4
60.95875	1.5
62.06141	0.2
63.01357	0.2
66.28188	0.2
84.01200	2.4
84.96026	3.1
84.99597	5.6
85.01524	1.7
85.25705	0.3
98.97578	0.3
101.00879	1.4
102.00964	1.8
102.02239	3.7
102.96869	12.2
103.00639	63.3
103.01254	3.1
103.02494	2.0
113.00181	0.3
117.02090	0.3
119.01899	1.6
120.02008	3.3
120.03233	0.3
120.97906	4.4
121.01662	100.0
126.02183	14.7
126.03040	0.6
132.49734	0.3
138.03044	0.3
138.98924	0.4
139.02689	12.5
142.03456	0.4
142.63989	0.3
144.03223	50.6
162.04280	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.68390	0.2
56.05029	0.3
57.03432	0.4
57.07053	0.3
58.06609	1.8
60.04536	2.1
70.06586	1.8
71.04979	0.8
72.05328	0.3
72.08140	0.2
74.06073	0.3
79.58608	0.2
83.04978	0.3
84.04510	2.5
84.08118	0.5
85.02908	4.1
85.06526	0.5
86.06884	0.3
88.07658	0.2
92.18446	0.4
92.57390	0.2
98.06052	5.7
98.09690	1.8
102.05543	0.3
103.03948	0.3
103.05479	2.3
108.08907	0.9
113.02976	2.1
117.07016	1.4
126.03717	1.7
126.05503	1.4
126.09910	0.4
143.07315	0.5
144.03719	3.9
144.04794	19.5
144.06624	4.8
144.08081	100.0
144.10178	4.0
157.81294	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	144.102
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
51.25632	0.2
58.06587	0.3
59.95467	0.2
67.25545	0.3
70.06586	5.9
71.04982	0.4
84.04514	0.4
84.08143	2.9
85.02898	1.4
85.06564	0.3
98.06068	2.0
98.09688	100.0
103.00623	0.3
119.21391	0.2
121.01666	0.4
126.05485	1.6
144.03638	1.2
144.04802	0.9
144.06549	3.1
144.10193	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0647
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03954	0.4
55.01856	0.2
57.03433	0.4
60.45183	0.2
61.27981	0.2
61.39927	0.2
62.92999	1.3
63.12486	0.2
63.67622	0.2
63.80058	0.2
69.03420	0.3
71.04994	3.3
78.60349	0.2
79.77034	0.2
81.01522	0.3
81.03423	1.8
85.02906	1.7
89.03950	0.2
91.05470	5.1
97.02901	0.3
99.04443	12.0
103.95610	0.3
105.03381	3.4
105.07030	3.5
115.05442	17.6
116.06218	0.3
117.07006	100.0
119.97106	0.2
121.96638	5.0
127.03900	3.2
128.06204	0.3
130.07794	1.9
143.08557	0.4
145.05064	1.6
145.06474	50.4
145.10114	23.0
149.98654	0.2
155.06053	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	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
52.86777	0.2
53.03959	1.2
54.16642	0.2
55.01888	0.3
57.03447	0.4
62.92986	2.4
65.44661	0.2
67.48650	0.2
71.05001	3.1
81.01507	1.8
81.03419	1.6
85.02899	1.8
90.02031	0.4
91.05476	5.3
96.67987	0.2
97.02879	0.4
99.04446	10.7
103.05444	0.5
103.95628	0.4
104.05802	0.5
105.03387	4.0
105.07037	3.6
109.02872	0.3
115.05446	18.0
116.06223	0.4
117.07011	100.0
121.96632	7.3
127.03925	3.0
128.41603	0.2
129.07022	0.4
130.07785	3.0
143.08548	0.5
145.05051	1.9
145.06480	45.9
145.10117	26.4
155.06021	1.1
162.84628	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	145.0648
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
52.60955	0.2
55.56521	0.2
62.92988	5.7
69.50684	0.3
71.05009	0.8
72.00961	0.3
80.42630	0.2
81.01509	2.2
85.07648	0.3
90.02044	0.9
91.05469	1.5
99.04449	3.3
101.52821	0.3
103.05475	0.3
103.95586	2.3
104.05819	0.3
105.07048	3.3
115.05441	2.0
116.06231	0.3
117.07011	3.7
121.96632	26.9
127.03888	1.1
129.07047	0.4
130.07767	2.7
143.08594	0.5
144.05746	0.3
144.98227	1.1
145.06479	100.0
145.10118	26.4
155.00354	0.2
160.72473	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	145.0649
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
50.04022	0.2
50.62854	0.3
54.83990	0.3
57.23236	0.2
62.92980	1.5
67.05485	0.4
69.52406	0.2
71.05022	0.4
81.01499	1.2
83.27989	0.3
90.02012	0.6
91.05478	3.2
99.04448	2.0
100.99179	0.3
103.95617	0.6
105.07029	5.6
115.05444	3.3
117.07021	5.9
121.96636	6.9
127.03902	0.4
128.06233	0.3
129.07014	0.5
130.07806	4.1
143.08585	1.5
145.06487	100.0
145.10124	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0648
Annotation	2-Naphthol
Peak:m/z	Relative Intensity
60.60295	0.2
62.92994	0.3
78.04366	0.3
81.07115	0.2
90.01989	0.5
91.05473	2.7
93.58046	0.2
100.74320	0.3
103.95573	0.3
105.07018	2.7
115.05451	1.8
117.07006	3.7
121.96626	2.3
130.07768	2.7
143.08516	0.7
145.06483	100.0
145.10123	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	145.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77462	0.2
60.50551	0.2
62.92980	1.5
73.00897	0.3
81.01463	0.4
86.89404	0.2
87.24924	0.3
90.01965	0.4
91.05481	3.2
99.04456	1.1
99.23411	0.3
103.95612	1.1
105.07033	6.1
107.02385	0.3
115.05441	3.3
116.06209	0.5
116.61832	0.2
117.07021	6.3
121.96629	5.2
122.63827	0.3
130.07796	4.2
143.08557	1.7
145.06480	100.0
145.10118	42.4
148.31401	0.2
155.07866	0.3
158.70340	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01866	0.7
57.03430	0.4
62.92984	3.1
67.05510	0.6
69.03417	1.0
71.04984	5.4
71.67397	0.4
75.18622	0.4
76.95090	0.4
79.05487	0.4
81.03403	2.9
85.02892	2.6
91.05461	3.6
97.02875	0.9
99.04446	15.6
105.07019	12.4
115.05426	0.9
116.06158	0.4
117.07007	11.9
121.96642	10.0
127.03893	4.6
128.06218	0.8
129.06975	0.8
130.07785	8.9
139.71687	0.5
143.08545	2.8
145.04970	2.4
145.06483	4.0
145.10117	100.0
160.11227	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11010	0.2
57.04868	0.3
61.34143	0.3
62.92972	0.3
67.05485	0.5
71.04984	0.3
74.45210	0.2
81.01472	0.4
91.05480	7.3
92.18531	0.4
99.04437	0.7
102.82129	0.3
105.07027	18.1
105.77026	0.3
115.05460	6.4
116.06229	0.7
117.07015	17.1
121.96608	1.5
128.06215	1.2
129.07018	1.9
130.07785	11.4
143.08559	4.4
145.06488	33.2
145.10120	100.0
145.91145	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
57.03446	0.5
82.85711	0.3
90.48046	0.4
91.05471	5.6
91.49035	0.4
100.04781	0.5
117.05762	1.5
118.06539	100.0
141.59779	0.4
146.06010	33.4
146.08003	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
52.16830	0.3
56.05033	0.6
57.03440	2.6
72.04514	0.4
83.47639	0.3
86.06050	0.9
91.05485	3.0
100.04767	0.9
105.07031	0.7
106.07381	0.5
118.06534	8.2
118.08653	0.9
122.97002	0.4
128.04100	0.6
128.04958	7.9
136.89738	0.3
146.06003	100.0
146.08076	6.9
146.10461	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
50.67419	0.1
52.54110	0.1
54.60689	0.1
56.05030	0.3
57.03436	1.2
64.02991	0.1
66.73032	0.1
67.18456	0.1
69.85939	0.1
70.24823	0.1
71.78272	0.1
72.04525	0.1
86.06091	0.2
86.09705	1.5
91.05480	0.3
98.06100	0.1
100.04790	0.8
100.07648	0.3
104.05004	0.3
105.07048	0.2
118.06528	0.5
118.08647	0.5
121.96647	0.3
122.03376	0.1
128.07063	0.6
146.06010	100.0
146.08064	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.51489	0.3
65.03949	2.8
73.66884	0.3
91.04999	0.7
91.05477	39.5
119.04935	100.0
130.51218	0.5
147.04401	74.7
154.94279	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.74472	0.4
64.92821	1.0
65.03957	2.1
88.89008	0.4
91.05478	37.8
95.15133	0.3
98.01695	0.5
105.07054	0.4
109.47442	0.5
119.04935	100.0
123.96449	3.2
147.04401	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78080	0.3
52.98864	0.3
55.05519	0.5
56.43028	0.4
64.92815	7.9
64.95560	0.7
65.03951	2.4
69.03423	0.4
74.56914	0.4
83.01373	0.7
91.05479	38.0
92.18477	0.9
105.04530	0.5
105.07021	6.9
105.95394	2.9
106.07356	0.4
110.75484	0.4
117.07062	0.9
119.04937	100.0
119.08567	9.8
120.05595	0.9
123.96450	31.5
124.05043	0.5
126.11956	0.4
133.95912	0.5
145.10120	1.6
146.98022	1.7
147.04405	86.2
147.06734	2.1
147.08031	8.6
147.11694	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48370	0.3
55.65824	0.3
60.37298	0.3
60.68147	0.3
65.03944	2.6
70.23075	0.3
79.95245	0.3
84.04493	1.5
91.05476	37.9
96.06410	0.3
119.04935	100.0
123.96432	1.4
130.04980	0.5
131.91000	0.3
147.04399	78.4
147.11647	0.5
152.07358	0.3
152.48694	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67846	0.3
55.39253	0.3
64.83817	0.4
64.92803	0.7
65.03949	3.1
68.29442	0.3
69.97317	0.3
77.94876	0.3
84.04512	4.3
91.05478	50.5
103.05450	0.7
105.06982	0.6
118.06541	0.8
119.04935	100.0
119.08554	0.8
123.96452	6.2
129.03349	0.6
130.05002	3.6
147.04407	82.6
147.06348	2.8
147.11647	1.4
148.56067	0.3
165.05507	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.04611	0.3
54.20999	0.3
56.38434	0.3
57.24760	0.3
63.17214	0.3
64.77831	0.3
65.03951	2.8
67.65920	0.3
71.07234	0.3
91.05479	37.6
104.58395	0.3
119.04934	100.0
126.88708	0.4
147.04402	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.86912	0.3
52.53064	0.3
65.03936	2.8
91.05480	38.6
119.04939	100.0
126.51286	0.5
141.33493	0.4
147.04405	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.40392	0.5
55.05519	1.2
56.17679	0.5
58.83334	0.5
59.52853	0.6
64.92806	1.5
65.03944	1.4
65.64853	0.6
78.91780	0.6
84.04514	1.3
90.89774	0.6
91.05479	38.2
105.07027	16.8
105.95404	1.0
117.07045	1.0
119.04938	71.2
119.08576	23.0
123.96465	8.4
128.35831	0.6
130.05011	0.9
145.10130	1.3
147.04410	100.0
147.08051	21.4
147.11681	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.51907	0.4
54.59962	0.3
55.05497	0.4
60.39241	0.3
64.92808	0.7
65.03938	2.3
69.03420	0.6
74.25687	0.4
75.91701	0.4
78.64589	0.4
80.77904	0.4
83.04961	0.4
84.04515	8.5
84.08134	0.9
85.38586	0.4
87.50877	0.4
91.05482	28.3
94.23473	0.4
98.18944	0.4
119.04942	58.3
119.08567	0.7
123.96455	4.4
130.05011	5.2
147.04410	100.0
147.08081	1.7
147.11676	0.6
163.42709	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	147.0441
Annotation	Coumarin
Peak:m/z	Relative Intensity
53.92611	0.3
55.05507	0.3
64.92798	0.7
65.03938	0.5
65.19213	0.3
67.05486	0.4
84.04492	0.6
85.91614	0.3
86.51748	0.3
91.04906	0.5
91.05479	13.7
95.50960	0.3
103.05453	0.7
105.07026	9.2
107.04910	0.5
115.53663	0.3
117.07008	0.5
119.04935	8.3
119.08563	11.7
121.20600	0.4
123.96443	3.1
129.06966	0.6
130.05017	0.5
132.05675	0.7
145.10155	0.4
147.04401	100.0
147.08040	21.1
147.11676	21.7
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	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05023	0.6
58.58716	0.4
65.03935	2.2
69.03423	1.1
74.58418	0.5
83.04988	0.5
84.04507	58.1
84.08148	0.6
85.02901	0.7
87.04461	0.5
91.05479	27.4
99.04463	0.7
101.07150	3.5
102.05540	0.9
110.41589	0.5
113.79450	0.5
116.51778	0.5
119.04939	55.7
123.96432	2.8
128.95122	1.1
130.05000	40.8
131.05563	0.7
143.01936	0.8
147.04407	100.0
147.07697	2.3
147.11752	0.7
156.80338	0.5
161.03082	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	147.0651
Annotation	5-Methoxy-5-oxopentanoic acid
Peak:m/z	Relative Intensity
59.05005	100.0
60.10903	0.3
62.11897	0.2
62.83257	0.3
63.55558	0.3
64.92816	1.1
68.94621	0.2
69.03432	0.3
71.24805	0.3
84.04507	5.2
87.04462	13.8
87.10041	0.5
91.05476	4.7
101.06014	19.4
105.07027	0.3
105.95417	0.4
109.85271	0.3
115.03919	15.6
119.04938	8.5
119.08579	1.3
123.96448	4.1
129.05469	30.4
130.04971	3.3
141.30421	0.3
147.04398	15.4
147.05528	0.6
147.07988	1.6
147.11658	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	147.0651
Annotation	5-Methoxy-5-oxopentanoic acid
Peak:m/z	Relative Intensity
54.47668	0.3
55.05518	3.2
59.05004	100.0
62.25555	0.3
64.92818	0.4
66.71735	0.4
69.03435	1.6
69.07075	2.7
83.08620	7.0
84.04486	3.7
86.81196	0.3
86.87465	0.4
87.04463	21.2
87.08127	0.7
91.05470	5.6
101.06014	20.1
105.07046	0.5
111.08074	0.6
115.03922	26.9
119.04932	14.1
119.05721	0.6
119.08604	0.5
123.96476	2.6
129.05466	28.5
129.09103	0.4
130.04985	3.6
130.43288	0.4
147.04402	16.4
147.08124	1.7
147.11740	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	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.62277	0.5
55.01880	12.7
61.84499	0.4
61.92446	0.4
64.92788	0.5
65.03931	0.6
67.54120	0.4
69.03429	0.5
79.05486	2.4
89.01999	0.5
91.05477	27.9
93.07056	0.7
103.05457	2.0
104.06226	0.9
105.07030	10.3
106.07359	0.5
107.04927	2.4
117.07016	7.3
119.04929	8.6
119.08569	67.5
120.53638	0.5
123.96439	2.7
129.06990	13.7
132.05681	2.8
137.09615	3.9
145.10211	0.6
147.04422	8.0
147.08043	100.0
147.09093	4.8
147.11676	20.9
147.12848	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	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
55.01878	8.7
60.39558	0.6
64.92784	1.1
74.46423	0.7
76.87807	0.7
79.05477	1.5
91.05476	30.0
103.05456	1.0
105.07015	9.5
107.04968	1.4
117.06991	9.2
119.04937	16.2
119.08571	57.2
123.96402	5.3
128.06241	0.8
129.06993	15.9
132.05731	5.4
137.09573	1.3
147.04402	17.7
147.08046	100.0
147.11691	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	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.00265	0.6
55.01876	1.1
55.05511	0.6
64.92803	0.6
65.03916	0.5
69.03430	5.4
75.02624	0.6
75.92054	0.5
79.05498	5.5
91.05478	75.7
93.07043	2.6
103.05472	4.0
104.06227	2.6
105.07026	11.0
107.04953	2.8
115.05439	1.5
117.07015	22.9
119.04932	17.6
119.08572	83.9
123.96442	3.1
129.06978	7.1
129.44109	0.8
132.05717	4.2
135.63226	0.6
147.04401	14.9
147.08046	100.0
147.11678	23.9
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
52.23744	0.5
55.05520	4.6
64.92811	0.8
65.03903	0.9
67.05511	0.8
69.07043	2.8
76.71812	0.5
79.05479	1.3
81.07024	0.9
82.54683	0.6
84.04485	1.2
91.05480	27.8
93.07029	0.7
105.07029	60.0
107.08592	1.2
117.06976	2.4
119.04942	27.0
119.08572	54.3
123.96450	5.9
129.06956	1.0
132.05708	0.6
132.09312	0.9
145.10092	4.5
147.04408	36.0
147.08038	18.9
147.11679	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	1479.6273
Annotation	Unknow
Peak:m/z	Relative Intensity
103.05452	3.3
105.03378	2.0
105.07005	2.0
113.89021	0.9
117.06977	0.9
119.08573	1.2
128.06197	1.0
129.07007	9.0
131.04912	8.1
131.08548	1.8
141.06987	1.9
143.08543	3.3
147.07948	0.9
155.08620	1.0
157.10106	1.5
161.09657	1.1
165.06998	2.0
169.10107	3.3
178.07779	1.7
179.08534	11.4
181.10104	1.7
183.11670	1.6
191.08597	4.7
192.09343	5.4
193.10106	8.0
195.11754	3.9
206.10904	16.5
211.14851	1.4
219.11653	1.3
221.13251	34.4
239.14308	8.4
251.17970	1.0
279.17389	5.8
297.18350	1.3
303.13406	2.1
363.15741	1.2
364.15396	0.8
451.19070	6.0
451.24445	1.3
451.55426	1.0
511.20782	11.3
569.24915	5.2
629.18048	1.2
629.27332	21.4
633.23676	0.9
659.24805	0.9
751.30859	100.0
1141.23230	1.0
1300.33301	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	149.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69030	0.4
65.03947	6.6
82.88492	0.5
91.58831	0.5
93.03371	2.0
111.04418	1.1
121.02844	24.1
121.03948	5.4
149.02327	100.0
153.72304	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86533	0.6
65.03941	7.9
67.34586	0.6
67.88137	0.6
93.03405	0.9
121.02854	24.3
121.03967	5.6
122.76391	0.6
149.02332	100.0
149.08157	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	149.0598
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.02375	0.6
53.03946	0.8
53.04190	0.4
55.01856	3.4
55.41863	0.4
56.96547	2.6
57.03423	1.0
57.07063	1.0
59.04989	1.0
63.92034	0.4
65.03944	4.3
65.69319	0.4
67.05484	3.2
68.99761	2.2
69.03419	0.6
71.04992	6.4
77.03880	0.8
77.34886	0.5
79.05496	44.8
80.53999	0.4
81.03394	0.8
81.07044	0.7
84.04478	1.9
85.02883	0.9
85.04841	4.4
85.06545	8.2
91.05491	9.4
92.18481	0.5
93.03398	2.0
93.06136	0.6
93.07037	13.8
95.04971	7.3
95.08609	3.7
97.96806	0.6
98.97590	1.1
99.04458	0.9
103.02298	0.6
103.05467	60.4
103.07584	5.0
105.04493	2.4
105.07021	3.8
107.04955	76.7
107.08567	0.9
108.04466	4.7
108.05201	1.1
108.08107	0.7
111.04370	0.7
113.05997	3.1
113.09628	2.7
119.04929	1.0
121.02857	14.4
121.03980	4.0
121.06497	49.1
121.10119	2.4
126.02565	0.9
126.05477	2.3
131.04922	100.0
132.04443	0.7
132.05461	0.6
135.03059	0.7
138.02528	0.5
149.02350	63.9
149.03398	2.9
149.04893	2.7
149.05988	72.1
149.07098	10.4
149.08255	4.4
149.09515	7.5
149.10696	1.1
149.13210	1.0
167.05620	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	149.0598
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.03944	1.1
55.01874	4.5
56.96560	2.0
57.03431	0.5
59.50160	0.4
61.02925	0.7
65.03918	0.6
68.00267	0.8
68.99780	1.1
77.00768	0.6
79.05491	0.5
81.07072	0.6
84.04489	0.9
85.04834	3.3
85.06528	0.6
91.05477	8.3
93.06496	0.9
93.07040	12.4
95.04955	4.0
98.97578	7.8
103.05461	31.2
105.04513	0.6
107.04264	0.9
107.04948	19.5
108.04456	0.6
110.36527	0.5
111.04423	0.7
112.00985	0.6
112.99104	0.5
116.98636	0.8
117.01884	3.7
119.04984	0.6
121.02853	2.7
121.06496	62.7
126.02521	1.1
131.00117	0.8
131.04904	10.8
135.03029	0.7
149.02365	9.0
149.05971	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	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03964	1.1
55.01881	3.6
55.83851	0.2
56.96564	0.4
57.03449	1.2
57.07071	0.4
59.13030	0.2
65.03941	2.0
67.05511	0.6
68.99787	3.4
69.03442	0.6
71.04999	0.6
77.00799	0.3
77.03939	1.0
79.05499	1.1
81.03410	0.5
81.07067	1.4
85.02917	0.3
85.04861	2.0
85.06544	2.7
88.92998	0.3
91.05481	10.3
93.07042	14.9
95.04968	4.6
98.97589	1.2
103.05466	28.2
103.07601	1.9
105.04523	1.3
105.06967	0.3
107.04957	16.3
108.04457	0.5
111.04454	0.4
113.05994	0.4
117.01840	1.1
119.04961	0.4
121.02867	3.4
121.06504	68.1
121.10114	1.0
127.49229	0.3
131.04912	9.8
149.02365	12.2
149.05981	100.0
149.09642	1.9
151.85002	0.3
153.02728	0.3
158.78680	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	149.0598
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.29155	0.4
53.03938	0.9
55.01880	50.3
56.70680	0.4
60.39422	0.5
61.17303	0.4
62.38152	0.3
65.03951	2.2
67.05489	0.7
69.03437	0.6
69.07060	0.9
77.03920	0.9
79.04787	0.4
79.05493	7.2
81.07074	3.2
91.05482	13.1
93.03400	0.6
93.07038	28.3
95.04964	3.6
103.05466	45.7
105.04513	1.7
105.07030	8.3
106.07821	0.5
106.39836	0.5
107.04951	19.6
107.08587	12.7
108.04455	3.5
108.08107	0.8
109.06531	2.1
115.05379	0.5
116.06239	1.0
119.04875	1.1
119.08562	1.8
121.02859	7.2
121.03776	0.7
121.06503	56.1
121.10135	31.2
123.08073	1.6
129.06995	0.6
131.04924	100.0
131.08557	5.1
133.07617	0.6
133.10120	0.8
134.10963	0.4
149.02345	20.2
149.05978	84.5
149.09608	74.3
149.13243	14.8
163.73276	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.60453	0.6
53.03953	1.1
55.01878	1.0
55.05495	1.0
56.72346	0.6
57.07087	0.7
69.07059	3.2
72.68729	0.7
79.05500	7.3
81.07041	4.4
91.05482	9.6
93.07040	31.2
95.04961	1.2
97.42802	0.9
100.65885	0.7
103.05457	4.2
105.07032	15.3
107.04948	1.4
107.08591	30.5
108.04464	3.1
116.06249	0.7
119.08559	1.6
121.02866	3.3
121.06481	10.4
121.10135	66.0
123.08056	1.6
131.04922	4.1
131.08548	3.3
133.07590	0.8
141.00591	0.7
149.02359	14.1
149.03445	1.4
149.05074	1.1
149.05978	36.9
149.09607	100.0
149.13248	31.2
149.39847	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.31968	0.5
55.01871	1.1
55.05518	0.5
57.03432	1.1
66.09920	0.5
67.05445	0.6
69.03421	1.1
79.05497	11.9
79.75024	0.5
81.03403	2.6
81.07061	1.0
84.03460	0.5
91.05481	12.4
93.07046	26.2
95.04948	2.8
103.05492	1.8
105.07037	11.8
107.04952	5.0
107.08594	8.3
109.06483	0.5
116.06239	3.0
119.08582	4.7
119.94604	0.5
121.02883	1.2
121.06532	4.1
121.09291	0.9
121.10143	27.8
123.08077	1.0
129.06992	2.3
131.04926	0.7
131.08563	25.2
133.07631	0.7
149.02403	5.0
149.06018	4.9
149.09615	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03962	0.4
55.01876	0.8
59.40667	0.4
69.03416	0.9
71.01495	0.5
77.12979	0.5
79.05486	3.8
82.64487	0.6
86.24030	0.5
91.05476	10.2
93.07045	11.7
94.14867	0.5
103.05463	0.9
105.07023	11.0
106.07786	0.6
107.04993	0.6
107.08566	1.1
109.06535	2.0
115.05474	0.6
116.06219	3.5
119.08561	2.1
121.06507	6.6
121.10133	23.1
121.24208	0.5
123.08064	1.9
129.07037	1.9
131.08560	12.8
133.07582	1.2
147.08037	0.7
149.09615	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.01245	0.3
53.03942	0.4
53.48593	0.2
55.01868	1.5
55.05510	1.5
57.03443	0.3
67.05506	0.6
69.03447	0.7
72.60934	0.3
79.05501	10.9
79.65482	0.3
81.03426	2.7
81.07042	1.9
91.05477	9.9
93.07041	22.8
95.04960	2.0
103.05444	0.7
105.07032	10.8
106.07838	0.6
107.04956	6.6
107.08590	6.2
108.04444	0.5
116.06260	2.4
119.08571	3.9
121.02840	0.5
121.06518	2.9
121.10140	26.6
123.08054	2.0
129.07004	1.6
130.51291	0.3
131.04890	0.7
131.08562	18.3
133.07576	0.7
149.02351	3.9
149.05971	1.3
149.09616	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03963	0.9
54.03476	0.7
55.05521	4.5
57.07076	0.7
58.48018	0.4
63.72678	0.4
64.25253	0.5
65.03930	3.2
66.06682	0.5
67.02983	2.0
67.05505	5.0
69.07076	13.0
77.03920	0.6
79.05492	11.0
80.05028	0.6
81.04543	2.9
81.06583	1.0
81.07061	28.6
82.91853	0.5
83.08621	0.6
91.05482	8.6
93.03400	1.0
93.07045	86.1
95.04957	2.8
95.06089	1.3
95.08600	3.6
98.58157	0.5
103.05476	1.0
105.03377	0.6
105.04514	1.3
105.07047	2.7
106.04008	0.8
107.06100	1.2
107.08595	58.2
108.04490	6.9
108.05602	9.9
108.06844	1.3
108.08122	8.3
109.06443	2.2
111.04385	0.5
121.02851	12.4
121.03966	4.0
121.06446	1.3
121.10138	33.4
122.07140	11.9
126.05518	2.8
131.04929	3.5
131.08545	1.0
140.08186	2.5
146.34763	0.7
149.02344	50.9
149.05972	4.5
149.07135	2.9
149.08228	26.9
149.09587	9.4
149.13255	100.0
152.21448	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	150.058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08720	1.9
53.03955	4.8
55.01867	2.6
55.54895	1.9
56.96574	58.8
57.03440	44.0
57.96618	2.0
59.04990	2.5
61.93721	2.4
68.02647	8.9
69.03422	15.5
70.06577	2.2
70.99840	3.0
71.01346	5.8
71.04995	59.5
72.93781	14.5
73.02905	4.4
74.03683	3.5
78.52966	16.4
79.51913	17.2
81.03418	52.0
82.01451	28.6
84.52980	2.5
85.02900	19.7
85.53725	15.7
86.00925	10.6
86.02956	3.2
86.03689	15.9
86.52697	4.9
87.04452	10.6
87.53468	3.2
88.07635	2.7
88.52449	2.4
90.52934	16.3
90.94811	4.6
91.53726	4.8
92.52690	3.9
93.01875	3.4
93.53482	8.0
94.54222	9.1
95.00769	3.3
95.03438	26.3
95.04946	4.5
95.52184	3.8
98.52682	9.0
98.97591	16.6
99.04456	71.1
99.53463	36.8
100.00100	10.2
100.02482	87.8
100.05233	19.2
100.54241	4.9
101.00890	33.0
104.01260	2.8
104.01923	3.0
104.03966	3.8
104.52684	46.0
105.03377	15.5
105.53432	9.9
106.54236	9.9
108.04463	5.6
108.53994	2.6
109.02919	35.5
111.04387	3.7
111.53431	4.5
113.00874	5.3
113.53192	38.9
113.96377	13.9
113.98647	95.7
114.04017	12.9
115.02414	4.1
116.98621	11.2
118.01113	16.8
118.03529	21.5
119.01915	39.4
120.53967	34.0
122.06016	17.7
122.53694	21.8
123.01691	22.8
124.01610	2.9
124.02461	56.2
127.01555	5.3
127.03403	3.5
127.04269	6.7
128.01978	3.4
129.54478	53.0
131.01912	12.4
131.54233	12.1
131.96150	24.7
131.99698	100.0
132.05110	4.5
132.06580	3.2
132.10201	9.1
133.03462	9.2
138.04025	3.4
138.55014	35.3
141.02715	57.8
141.05347	3.2
142.03494	85.3
145.03447	14.9
147.55516	30.5
149.97197	17.2
150.00734	32.3
150.02621	2.4
150.05470	33.4
150.09134	18.6
150.11243	13.8
154.03477	14.4
156.05061	19.6
157.03452	13.5
159.03745	2.6
160.04562	5.5
167.01947	3.9
168.05025	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	150.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
56.05027	1.1
56.96566	0.8
57.03443	10.2
65.52204	1.3
66.52986	0.7
68.02647	3.3
69.03428	3.6
70.06564	0.9
71.04988	9.8
73.02900	1.2
78.52940	3.1
79.51908	4.0
80.00072	0.7
80.05009	5.1
81.03422	35.0
82.01438	5.2
83.04938	0.8
84.04494	2.8
84.52937	1.1
85.02887	4.7
85.53744	1.6
86.03694	2.8
86.52714	1.3
87.04472	1.0
88.07624	5.0
90.05533	0.9
90.52953	1.3
91.53697	0.9
92.54517	0.8
93.53472	3.2
95.03436	3.8
95.04962	19.6
98.52670	1.2
98.97601	1.0
99.04453	14.1
99.53464	6.0
100.00054	1.5
100.02483	17.5
100.05202	5.2
100.54238	1.8
101.00893	5.7
102.05540	0.7
104.07101	3.2
104.52666	6.4
105.03381	1.6
106.54203	1.6
108.04478	26.3
109.02859	12.1
111.02966	0.9
111.04477	0.9
111.53428	1.0
113.53214	9.3
113.96326	0.8
114.04008	1.4
115.02380	0.9
118.01122	1.5
118.03574	4.5
119.01910	4.2
120.53966	5.0
122.06027	100.0
122.53692	4.0
123.01687	4.2
124.02458	8.4
127.04184	0.7
128.01927	1.1
129.54492	10.3
131.01918	1.1
131.54231	1.5
132.06523	1.5
132.10234	3.3
133.03503	1.0
136.02434	0.9
138.55008	8.9
141.02722	11.8
142.03494	15.0
144.04883	0.7
145.03497	1.4
147.55540	8.0
150.05501	81.4
150.07553	2.3
150.09105	3.1
150.11205	7.1
154.03490	3.5
156.05051	2.7
157.03447	1.2
160.04668	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03951	0.9
55.01870	1.6
61.83986	0.4
65.03943	3.0
67.05505	5.5
77.03893	0.5
79.05495	0.5
81.07035	0.8
86.57171	0.4
91.05470	7.2
95.04978	7.7
95.08569	0.6
105.04517	0.8
105.07028	4.2
107.08575	0.6
108.02098	4.2
109.02871	0.6
109.06538	1.5
109.10146	0.5
111.04417	0.9
119.04955	6.3
123.04420	67.3
123.08027	1.7
133.02861	0.6
133.05547	0.4
133.06419	3.3
136.01550	0.7
141.05458	6.4
151.03897	100.0
151.05019	20.1
151.07494	10.7
151.11169	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	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
65.03924	1.1
79.05460	1.0
91.05477	87.7
92.18494	1.0
95.04962	13.3
119.04935	80.5
123.04446	3.5
136.05190	9.9
137.05975	5.3
151.03885	1.9
151.07535	100.0
161.87550	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	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.17429	0.7
56.21885	0.7
65.03934	1.5
67.05491	1.3
79.05503	1.7
91.05477	70.6
95.04971	15.1
105.07025	21.5
108.05698	0.8
119.04074	2.0
119.04934	60.8
123.04423	89.6
123.08052	1.4
133.06485	28.4
136.05212	8.5
137.05997	4.6
151.03929	26.8
151.04991	2.7
151.07532	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	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
55.05507	1.1
56.05027	0.5
56.25283	0.2
59.06120	0.3
67.05511	7.2
68.05031	4.9
69.03418	1.7
69.04552	3.5
77.99921	0.6
79.05489	0.6
81.07061	2.3
82.06569	0.4
83.04974	0.5
83.06129	2.1
83.09783	0.3
84.05621	1.4
85.07658	0.5
85.42850	0.3
87.00466	6.0
91.05468	0.5
92.17892	0.3
92.83189	0.3
93.04514	1.1
93.07021	1.6
95.04987	0.4
95.08601	20.6
96.00977	0.4
96.05617	0.6
97.07655	0.3
98.51247	2.8
103.05419	0.3
105.07046	3.6
105.19700	0.3
106.03674	0.4
107.04943	0.3
107.06059	0.4
108.05696	2.2
109.06445	1.1
109.07631	1.9
110.03528	0.6
110.07166	16.7
110.07951	0.6
111.07945	22.7
113.84972	0.3
113.96391	1.7
121.06419	0.3
123.04357	0.4
123.08064	29.8
123.64635	0.3
124.08717	5.0
131.97446	0.7
134.07094	2.6
141.05132	0.3
151.07541	100.0
151.09711	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	0.9
53.65102	0.6
55.01874	1.1
55.05508	1.9
55.29289	0.6
57.03440	1.0
57.07063	1.2
59.05013	0.8
65.03936	3.2
65.59937	0.6
67.05166	1.1
67.05505	22.3
69.03419	1.1
69.07051	3.4
71.04980	1.9
77.03930	1.5
79.05493	8.5
81.07059	62.8
91.04904	1.7
91.05481	50.8
93.07042	58.2
95.04966	20.8
95.08022	1.0
95.08601	18.2
105.07030	67.2
107.04989	0.8
107.08595	38.6
108.02078	3.1
109.05758	0.6
109.06509	34.4
109.10159	35.4
109.51344	0.7
117.07019	1.0
119.04942	23.2
121.10130	3.7
123.04421	22.8
123.08060	17.5
123.11692	25.8
131.08575	7.3
133.06494	8.4
133.10126	86.0
136.05185	4.4
137.05920	0.9
141.05447	1.9
142.75296	0.8
151.03894	47.8
151.05017	12.4
151.07544	39.5
151.11174	100.0
157.65024	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	151.1118
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
54.24744	0.4
54.41956	0.4
57.59442	0.4
59.92824	0.4
61.77008	0.4
67.05499	1.7
73.03725	0.4
79.05507	0.4
81.07061	4.4
91.05460	0.9
91.81200	0.5
93.07024	0.8
94.34854	0.4
95.04957	2.9
95.08604	2.1
105.07014	4.0
107.08582	2.2
109.06520	6.5
109.09570	0.5
109.10170	6.6
121.10174	0.9
123.08051	1.8
123.11713	2.1
133.10114	2.5
148.79347	0.5
151.11172	100.0
151.61282	0.5
161.81258	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.04463	0.3
54.12745	0.3
54.41674	0.3
55.01875	0.7
55.05323	0.3
55.05521	4.6
57.03429	1.6
57.07069	2.1
59.05000	0.7
65.03959	1.2
67.05505	18.5
69.03440	2.6
69.07065	3.0
71.04984	1.5
73.56991	0.3
77.03922	0.5
77.99926	0.5
79.05489	8.4
81.03418	1.8
81.07059	59.0
82.06189	0.3
83.04977	0.7
87.00451	1.7
88.26605	0.3
88.29609	0.4
91.05476	31.3
91.36541	0.3
93.07040	48.8
95.04965	15.9
95.08598	20.5
102.16328	0.4
103.05454	0.4
105.04511	0.8
105.07029	65.6
107.08591	34.9
108.05708	0.4
109.06516	41.8
109.10152	36.6
110.01286	0.5
110.03519	0.4
111.07939	0.7
111.26788	0.4
113.96349	0.6
115.05410	0.6
117.07011	0.6
118.07815	0.6
119.01772	1.8
119.04945	5.4
119.05819	0.4
119.06093	0.4
121.10136	4.1
123.04427	13.6
123.06382	1.6
123.08064	22.5
123.11698	26.2
128.02287	0.6
131.08554	7.9
133.06479	2.5
133.10121	87.8
136.05234	0.5
136.08788	0.5
137.02875	0.5
150.96880	0.4
151.03923	12.0
151.04956	1.1
151.05949	1.9
151.07574	15.0
151.11174	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	151.1119
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
50.82752	0.3
50.96524	0.3
52.17367	0.2
52.61948	0.3
53.11007	0.3
53.55136	0.3
54.56169	0.2
55.01872	0.6
55.05519	0.6
57.07083	0.5
62.67446	0.3
62.82846	0.3
65.03931	0.8
67.05502	3.9
69.03413	0.5
69.07071	0.6
79.05484	0.6
81.03421	0.4
81.07056	7.8
87.00449	0.4
91.05489	5.3
93.07064	3.0
95.04974	4.1
95.08606	3.1
105.07034	5.2
107.08599	3.5
109.06522	8.4
109.10162	6.3
119.04923	3.0
121.06529	0.5
121.10162	0.7
123.04421	8.8
123.08053	3.7
123.11681	3.0
131.08449	0.4
133.02951	0.4
133.10158	3.7
136.05188	0.6
136.08797	0.4
141.05466	0.4
151.03925	19.8
151.05020	2.4
151.07578	7.5
151.11180	100.0
153.15004	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.05506	0.9
59.04998	0.9
65.03947	0.5
65.82935	0.5
67.05508	6.6
69.03429	25.1
69.07058	4.5
71.04969	0.8
79.05475	1.3
81.07055	18.1
83.04971	0.6
83.64359	0.6
87.00457	1.3
91.04912	0.6
91.05474	16.8
93.07054	7.2
95.04967	7.7
95.08601	3.1
100.23006	0.5
104.15483	0.6
105.07024	6.8
107.08588	5.1
109.06514	12.8
109.10136	9.7
111.07964	0.9
119.04940	11.2
123.04420	100.0
123.07973	3.8
123.11692	13.2
133.02847	2.7
133.10133	4.3
136.05225	1.0
151.03903	56.5
151.04933	2.7
151.07545	17.2
151.11171	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.05441	0.5
52.38847	0.6
53.03986	0.6
54.19282	0.6
55.05513	1.2
57.07086	10.5
67.05511	15.1
69.07066	5.4
71.08617	5.4
75.28587	0.7
79.05495	1.6
81.07060	24.8
83.08607	0.8
91.05474	3.3
93.07030	3.8
95.04944	3.3
95.08607	82.2
105.07022	4.3
107.08577	4.9
109.06507	9.3
109.10159	73.7
111.07987	0.9
114.62334	0.7
119.04951	1.2
123.04425	7.4
123.08098	7.6
123.11697	10.2
131.42003	0.7
133.10123	3.5
133.40633	0.9
136.08832	4.3
151.03909	12.1
151.05008	1.4
151.07581	6.7
151.11180	100.0
151.14816	27.5
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
56.42369	0.2
60.73134	0.2
65.57608	0.3
72.13399	0.2
109.05107	0.5
110.03526	5.0
114.85870	0.2
118.89403	0.2
128.04555	1.4
132.35678	0.2
134.05981	1.1
135.03017	12.1
152.05672	100.0
153.04068	10.2
153.05275	0.4
158.20920	0.3
159.83446	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	152.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23444	0.2
56.96555	1.2
60.47223	0.2
73.81898	0.2
77.00764	0.3
79.05511	0.2
80.36569	0.2
81.95808	0.2
96.08125	0.5
97.99191	0.3
98.01273	1.3
98.97591	0.4
106.06550	0.5
107.01814	1.3
109.05124	0.5
110.03525	5.6
110.96841	0.6
110.97566	0.9
111.02045	0.5
119.97325	0.9
120.02568	1.7
124.07554	2.1
128.04561	1.6
128.97784	0.4
128.98674	0.4
129.03093	2.7
131.53291	0.2
134.06010	21.0
135.03024	10.9
136.01427	0.2
137.98381	0.3
138.03613	0.3
138.63596	0.2
152.05675	100.0
152.06976	7.7
153.04068	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	152.0707
Annotation	N-(Acetyloxy)benzenamine
Peak:m/z	Relative Intensity
53.01384	0.2
53.03899	0.2
54.92701	0.2
59.89787	0.2
62.19755	0.2
69.09407	0.2
74.73013	0.2
77.03906	0.3
79.05461	0.9
80.02547	0.2
81.05768	0.3
82.06536	0.2
95.04962	0.4
96.08136	1.5
106.06562	1.5
107.04946	0.5
109.05118	1.3
110.03520	5.0
123.06807	1.0
124.07579	5.7
128.04543	1.6
133.61024	0.2
134.06015	55.8
135.03020	9.5
135.04285	0.6
136.01433	0.2
150.05554	0.2
152.05698	100.0
152.07062	19.8
153.04073	10.0
153.05266	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	153.0546
Annotation	2-Hydroxyphenylacetic acid
Peak:m/z	Relative Intensity
51.62056	0.4
53.03940	0.7
55.01864	2.3
55.05495	0.4
55.93510	0.7
65.03943	4.0
67.05496	0.7
68.99784	1.8
69.03432	1.1
70.94257	7.0
70.95489	0.5
70.95863	10.7
71.04971	0.6
79.05495	15.8
81.03414	0.6
81.07043	1.0
83.04981	1.1
88.95301	0.9
88.96884	1.8
89.03922	0.7
91.05458	1.0
93.03399	9.6
93.07027	3.3
95.04952	5.4
97.02908	0.5
97.06525	2.9
98.00770	0.4
98.97581	1.8
105.04497	1.7
107.04951	66.1
107.08570	3.3
109.06535	0.7
109.10202	0.4
110.03648	1.0
111.04445	8.4
111.08066	2.5
111.96866	10.3
111.98495	4.1
125.02377	1.0
125.05991	15.8
125.06974	0.7
125.09641	0.8
129.97893	2.8
129.99521	0.6
135.04411	45.4
135.08072	2.2
135.11714	0.6
138.03085	0.6
139.02779	0.4
153.05461	100.0
153.07486	3.1
153.08905	3.5
153.12675	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	153.0546
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
55.05507	0.7
58.94883	0.4
61.50702	0.4
65.03937	3.1
67.05498	2.1
69.03419	1.1
69.07065	4.4
70.94238	2.3
70.95845	1.1
71.04981	0.5
77.03934	0.4
79.05494	4.1
81.07047	2.9
83.04973	0.8
91.05472	0.5
93.03419	5.2
93.07061	3.5
95.04964	5.4
95.08589	3.0
97.06520	1.9
107.04967	8.2
107.08587	6.0
109.10151	6.5
110.03662	9.0
111.04448	5.8
111.08068	2.3
111.96882	2.9
111.98446	0.8
123.04445	0.6
125.05969	5.9
125.09615	1.8
129.97823	0.5
135.04416	7.0
135.08003	0.7
135.11673	3.1
138.03117	22.9
153.01868	2.1
153.05464	100.0
153.09050	1.7
153.12700	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	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03939	1.8
54.91715	0.3
55.01874	1.3
55.05517	0.6
55.52416	0.3
58.29179	0.3
58.45736	0.3
60.35636	0.3
61.02019	0.3
65.03630	0.3
65.03949	6.5
67.01876	0.3
67.05493	1.4
68.99794	0.5
69.03423	0.8
69.07050	0.3
69.39451	0.3
70.94273	2.4
70.95850	2.0
71.05003	0.3
74.37092	0.3
76.09183	0.3
79.05495	5.3
81.07045	2.0
82.04219	0.7
83.04984	0.5
83.71948	0.4
85.02890	1.6
89.00260	0.5
91.05477	3.1
93.03400	14.1
93.07036	2.2
94.04189	4.4
95.04961	0.7
95.08578	0.7
97.06529	3.9
107.04939	0.5
107.08565	2.8
109.06510	0.4
109.10164	0.5
110.03651	2.2
111.04422	4.8
111.96891	3.0
111.98437	0.4
121.02077	0.6
121.02869	8.6
125.05991	17.5
135.11702	1.7
138.03102	0.6
153.05463	100.0
153.11330	1.4
153.12663	0.7
165.48695	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	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.91016	0.3
53.03941	0.7
55.01865	1.4
55.93497	0.3
57.03431	0.4
63.57984	0.3
65.03944	5.8
67.01857	0.6
67.05496	0.7
68.99780	0.3
69.03410	1.4
70.94256	4.0
70.95851	4.0
76.03439	0.4
78.90238	0.3
79.05502	3.8
81.07040	2.3
82.04191	0.5
83.04976	0.5
85.02899	1.6
88.95275	1.4
88.96877	0.4
89.00254	0.8
91.05481	2.6
93.02850	0.6
93.03405	11.9
94.04182	4.2
95.04955	1.5
97.06526	4.1
98.00758	0.5
99.70406	0.3
107.04944	1.5
107.08574	1.6
109.10141	0.7
110.03657	0.8
111.04442	5.2
111.08085	0.4
111.96865	7.2
111.98447	2.4
118.16005	0.4
120.47814	0.3
121.02844	5.8
125.05988	17.2
129.97922	0.8
135.04384	0.7
135.08060	0.6
135.11662	0.8
139.03902	0.4
153.05461	100.0
153.09081	1.5
153.11301	0.6
153.12724	1.5
171.85941	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	153.0546
Annotation	5-Hydroxy-2-methoxy benzaldehyde
Peak:m/z	Relative Intensity
53.03952	1.4
55.01867	1.5
55.05505	0.9
57.03434	0.7
57.07089	0.4
59.04994	0.6
59.48494	0.4
60.01419	0.4
63.54816	0.5
65.03628	0.6
65.03948	12.9
65.04263	0.4
67.01849	0.7
67.05515	3.5
68.99791	0.5
69.03413	2.3
69.07069	4.1
69.46964	0.4
70.94254	4.1
70.95863	2.6
71.04999	0.8
79.05492	8.4
81.07061	6.0
83.04983	3.6
83.08622	0.6
85.02885	0.9
88.95294	0.8
91.05482	4.2
93.03400	25.0
93.07040	23.6
94.04177	3.3
95.04970	5.1
95.08601	20.4
97.06536	7.3
100.51019	0.7
107.04955	1.8
107.08591	38.8
109.06523	1.9
109.10148	5.6
110.03665	4.1
111.04441	20.6
111.05213	0.8
111.08070	3.6
111.96855	5.7
111.98479	0.9
121.02863	5.8
125.05990	28.5
125.09599	2.4
129.97917	0.7
135.04388	1.7
135.08029	0.9
135.11694	21.4
138.03093	0.9
139.03946	0.4
140.82497	0.4
153.05463	100.0
153.09074	2.4
153.11472	2.1
153.12741	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	154.0624
Annotation	N-Dimethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
56.05877	0.2
65.03944	3.3
67.05490	0.3
68.99781	1.1
71.94072	0.5
81.03430	0.4
83.04968	1.7
93.03384	2.4
97.02888	0.4
102.53997	0.3
108.08143	0.3
111.04436	23.6
111.19118	0.2
121.02846	0.4
121.03976	1.9
126.05537	0.4
126.09144	0.3
136.03918	0.5
136.07581	2.1
139.03897	100.0
139.62378	0.3
152.45129	0.3
154.05042	1.7
154.06236	38.3
154.08560	6.8
154.12115	0.3
170.02943	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
55.74655	0.3
79.26593	0.3
81.07064	2.3
81.22344	0.3
83.08619	0.5
97.05261	0.5
97.26331	0.3
98.06063	1.1
98.09704	0.5
101.04016	0.3
108.08109	1.7
109.06511	2.8
109.11900	0.3
110.06028	1.3
114.38878	0.3
119.06006	0.3
126.09135	1.7
139.06288	1.4
154.08617	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	155.0467
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
55.88245	0.1
55.93523	0.1
57.07095	0.1
67.05512	0.3
70.15656	0.1
71.04978	0.1
72.93786	9.4
73.82185	0.1
81.07068	0.2
85.06544	0.1
90.94822	1.8
95.08628	0.3
97.06530	0.2
98.98461	100.0
109.02876	0.2
109.10143	1.1
113.07191	0.1
113.61105	0.1
113.96391	13.5
116.99527	1.1
121.35249	0.1
127.01556	6.4
127.03921	0.7
131.97412	2.5
153.11447	0.1
154.98987	0.2
155.03360	0.7
155.04622	0.4
155.05974	0.2
155.07071	1.0
155.08560	2.8
155.10590	0.2
155.12976	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	155.0703
Annotation	3,5-Dimethoxyphenol
Peak:m/z	Relative Intensity
53.02160	0.3
55.05511	1.6
59.04986	0.4
61.66111	0.3
67.05505	3.4
71.04990	6.8
72.93792	28.9
79.05447	0.3
81.03427	0.4
81.07055	2.1
85.06529	0.4
90.94827	5.4
93.03413	0.4
93.07022	0.5
95.04960	6.5
95.08604	9.3
97.06543	0.4
99.04446	7.2
100.43245	0.3
107.69652	0.4
107.70387	0.4
108.02089	0.4
109.02857	1.6
109.06534	0.4
109.10159	6.4
111.04442	1.3
111.08050	0.4
112.05233	2.3
112.90569	0.4
113.05980	0.8
113.96397	37.9
123.04409	6.0
124.05210	1.6
127.03926	3.2
127.07549	1.3
131.97438	9.0
137.02357	0.4
137.09608	1.2
140.04662	5.5
141.05460	2.0
154.99033	0.4
155.03587	2.5
155.07028	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	155.0855
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
53.03980	0.5
53.33523	0.4
54.31255	0.4
56.98140	0.5
57.83332	0.4
72.08131	0.6
72.93387	0.8
72.93789	21.8
90.94819	5.4
98.07190	0.7
102.50869	0.7
112.08720	2.1
113.96395	27.9
114.10278	0.8
115.05457	3.8
127.03887	3.1
128.06239	2.0
129.07002	4.3
129.85713	0.6
131.97427	7.8
138.06610	0.5
141.58263	0.5
145.06476	0.5
147.62097	0.5
153.07001	11.8
153.75818	0.5
154.07755	4.7
155.03397	2.9
155.08546	100.0
155.12875	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	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
51.82398	0.6
51.82663	0.5
55.15432	0.5
68.90210	0.5
74.09714	13.5
77.34728	0.5
78.27776	0.6
79.56952	0.5
90.04313	0.6
91.70902	0.6
96.96941	1.0
108.83504	0.7
112.05261	14.1
130.06296	11.2
135.56006	0.7
156.04207	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	156.102
Annotation	Scopoline
Peak:m/z	Relative Intensity
55.05515	1.2
57.03437	1.4
60.48968	1.3
60.73383	1.1
67.05500	1.7
69.07059	5.4
70.95853	6.6
72.93796	12.2
73.93829	5.0
77.38932	1.2
77.48290	1.2
79.05485	1.8
82.06590	2.8
83.08611	2.5
92.17862	1.7
93.07030	5.8
94.10570	1.3
95.08589	8.0
96.04485	16.3
96.08147	12.3
97.05288	12.7
97.06514	8.3
100.07609	8.2
109.06483	1.6
110.06041	34.7
110.07161	16.6
110.09686	22.1
111.08063	2.0
111.98473	7.8
113.96387	7.6
114.96526	6.7
115.03944	1.9
120.08083	2.9
121.06503	2.5
121.16770	1.3
125.08360	5.0
125.39465	1.3
126.09155	48.7
132.95834	20.2
132.97520	1.4
138.05531	9.0
138.09138	99.2
139.07597	2.4
150.34055	1.2
150.96884	10.9
156.03833	1.8
156.06644	3.7
156.08044	6.4
156.10191	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51451	0.1
54.98632	0.1
55.95779	0.1
56.96569	4.8
71.95283	0.5
81.03448	0.1
82.53841	0.1
98.97584	100.0
116.98615	30.6
126.02575	0.2
127.34528	0.1
128.02307	0.1
134.99655	4.6
135.03139	0.6
140.00217	0.8
144.03552	0.1
153.00731	0.1
158.01317	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	158.0812
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
52.24777	0.2
52.99895	0.2
54.03500	0.2
56.96577	1.0
58.81978	0.2
69.07063	2.3
70.06593	100.0
91.88941	0.3
95.53453	0.2
98.06074	0.6
98.09669	0.5
98.80976	0.2
98.96935	0.4
98.97585	16.8
112.07602	62.8
116.07087	28.0
116.98615	6.3
123.19828	0.2
123.75704	0.2
126.02689	0.2
128.07057	0.3
134.99644	1.6
135.03185	0.3
140.07056	3.7
144.03642	0.4
153.04161	0.4
158.06126	0.5
158.08127	6.7
158.11731	0.5
170.08223	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	158.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03714	0.1
56.96561	0.4
70.06273	0.2
70.06596	3.4
80.64384	0.1
84.01578	0.2
84.23367	0.2
89.03918	0.7
98.06036	0.7
98.09691	0.3
98.97586	6.4
100.07603	0.2
108.16995	0.1
112.07597	2.8
113.01848	0.1
115.05420	0.6
116.07088	1.2
116.98624	3.7
117.03348	0.4
118.91985	0.2
128.07076	0.8
130.06561	1.5
134.99670	2.0
140.07066	0.4
143.07312	0.4
143.08469	0.7
158.06169	2.6
158.09644	100.0
162.41980	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	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	9.8
57.03436	1.5
58.73758	0.7
58.89086	0.6
69.03403	1.1
71.04978	3.2
71.95267	0.7
73.02936	0.7
78.76426	0.7
81.03419	7.5
82.01446	3.9
93.53496	0.7
94.25359	0.7
98.97579	100.0
99.04433	5.0
99.53469	1.5
99.97916	55.5
100.02479	12.1
101.00871	1.0
104.52699	1.0
109.02872	3.6
113.06037	0.8
113.53194	4.4
116.98621	32.5
117.95965	1.6
117.98956	19.2
118.01724	1.1
118.03526	10.4
120.53966	1.1
120.62495	0.7
122.53685	1.3
123.01717	1.0
123.04050	3.7
124.02437	3.4
129.54472	3.5
134.99667	5.4
136.00026	3.9
136.02731	3.4
136.04533	1.2
138.54994	3.8
140.00095	0.8
141.02722	3.7
141.05075	9.6
142.03516	4.3
147.55507	5.4
156.05042	0.7
158.99669	1.2
159.06189	3.7
173.86140	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	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	9.8
57.03436	1.5
58.73758	0.7
58.89086	0.6
69.03403	1.1
71.04978	3.2
71.95267	0.7
73.02936	0.7
78.76426	0.7
81.03419	7.5
82.01446	3.9
93.53496	0.7
94.25359	0.7
98.97579	100.0
99.04433	5.0
99.53469	1.5
99.97916	55.5
100.02479	12.1
101.00871	1.0
104.52699	1.0
109.02872	3.6
113.06037	0.8
113.53194	4.4
116.98621	32.5
117.95965	1.6
117.98956	19.2
118.01724	1.1
118.03526	10.4
120.53966	1.1
120.62495	0.7
122.53685	1.3
123.01717	1.0
123.04050	3.7
124.02437	3.4
129.54472	3.5
134.99667	5.4
136.00026	3.9
136.02731	3.4
136.04533	1.2
138.54994	3.8
140.00095	0.8
141.02722	3.7
141.05075	9.6
142.03516	4.3
147.55507	5.4
156.05042	0.7
158.99669	1.2
159.06189	3.7
173.86140	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	159.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20638	0.8
53.03947	6.4
54.99703	0.8
55.01873	7.2
57.03433	1.8
59.04999	1.8
61.02927	15.3
69.03433	12.5
70.06594	1.2
71.00996	1.3
71.01356	30.3
71.05006	12.9
73.02930	1.2
75.04478	25.5
76.93366	1.7
81.03422	100.0
85.02912	11.5
85.06527	1.7
87.04475	16.2
89.06021	2.1
95.08613	1.6
97.06509	1.2
98.97572	2.4
99.04471	12.8
103.03940	18.8
103.05522	1.3
109.02136	1.1
109.02881	30.6
111.04454	2.4
113.02394	1.5
113.06009	8.4
114.56524	1.0
115.03914	4.5
117.95974	9.8
127.00252	1.0
127.03918	4.9
131.04930	2.2
131.08583	5.3
131.11772	2.0
135.96997	1.7
141.01852	8.7
141.05447	1.5
144.05721	1.8
159.02916	2.3
159.04379	1.7
159.06606	3.9
159.08104	8.0
159.09291	1.5
159.11711	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	159.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83834	0.6
53.03760	0.5
53.03965	6.7
55.01875	1.2
55.05500	0.9
56.96569	1.1
57.03429	3.1
59.01363	0.6
59.04995	2.8
61.02934	0.8
65.12736	0.5
67.05528	0.7
68.99795	1.4
69.03435	12.3
70.06582	1.4
71.01354	32.1
71.04992	8.3
71.06915	0.8
72.08152	1.2
73.02909	3.5
75.04482	7.1
75.36134	0.6
81.03421	100.0
83.01358	1.2
85.02907	10.3
87.04485	2.1
89.06004	1.3
95.04951	0.8
97.02906	1.0
98.09688	3.2
98.97602	7.3
99.00816	5.4
99.04468	6.3
99.10017	7.3
99.97939	3.2
103.03948	3.9
109.02879	29.2
111.04435	3.6
113.02357	4.1
113.04875	0.7
113.05985	4.7
113.07890	0.9
113.10742	1.0
115.03876	5.6
116.98607	2.6
117.01839	16.2
117.95978	2.6
127.00272	39.3
127.03944	5.5
129.54483	1.0
131.03407	1.5
141.01814	9.1
141.02629	0.6
141.05458	1.2
145.01308	18.2
145.02411	1.0
159.02881	16.9
159.06648	0.9
159.08020	1.0
159.12199	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	159.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80226	6.4
52.99089	5.4
55.60910	6.2
56.11169	5.8
56.96557	10.7
57.03435	6.5
69.03405	6.8
71.04972	6.9
81.03407	47.0
98.97579	100.0
99.04447	27.5
99.53474	9.9
100.00086	9.2
100.02474	28.2
104.23402	7.2
105.53454	7.5
109.02845	9.5
111.05544	29.3
113.53167	33.4
116.98604	42.7
117.99014	8.2
118.03487	10.7
120.53923	16.6
122.53685	10.6
123.01645	8.4
123.05526	34.9
129.54445	29.3
130.24983	8.2
134.99652	11.6
138.54964	17.2
141.02708	38.4
141.04987	7.6
141.06616	30.0
142.03459	14.8
147.55551	38.1
154.03438	8.3
156.05026	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	159.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80226	6.4
52.99089	5.4
55.60910	6.2
56.11169	5.8
56.96557	10.7
57.03435	6.5
69.03405	6.8
71.04972	6.9
81.03407	47.0
98.97579	100.0
99.04447	27.5
99.53474	9.9
100.00086	9.2
100.02474	28.2
104.23402	7.2
105.53454	7.5
109.02845	9.5
111.05544	29.3
113.53167	33.4
116.98604	42.7
117.99014	8.2
118.03487	10.7
120.53923	16.6
122.53685	10.6
123.01645	8.4
123.05526	34.9
129.54445	29.3
130.24983	8.2
134.99652	11.6
138.54964	17.2
141.02708	38.4
141.04987	7.6
141.06616	30.0
142.03459	14.8
147.55551	38.1
154.03438	8.3
156.05026	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	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03941	2.2
57.03445	0.6
63.22650	0.4
69.03430	1.2
71.01347	0.7
71.04983	2.2
75.76386	0.5
76.93329	0.6
81.03419	20.6
83.01331	0.6
85.02883	1.1
98.97603	0.7
99.04427	2.0
99.53362	0.5
102.95897	0.5
109.02882	8.1
113.05968	0.6
115.03935	0.6
115.05439	3.0
117.05753	5.8
117.95977	2.7
118.06541	1.3
130.06526	15.6
132.08086	66.2
141.01823	1.8
142.06508	13.6
159.09167	100.0
160.07570	8.8
178.41405	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.01929	0.4
53.03936	0.9
53.85579	0.3
58.53074	0.4
59.57171	0.4
67.05496	0.4
69.03425	0.8
71.04977	0.7
76.93358	2.5
78.48566	0.5
81.02978	0.6
81.03418	13.9
85.02882	0.9
87.18559	0.5
89.06000	0.6
91.05473	4.4
91.67255	0.5
94.94350	0.5
98.97557	1.0
99.04452	1.9
105.07032	7.3
109.02930	3.3
115.05443	2.3
116.06236	1.7
117.07013	23.2
117.95963	4.0
119.08578	5.0
127.03893	0.5
128.06198	0.7
129.06989	5.0
130.07771	2.0
131.04962	2.0
131.08560	29.3
131.11771	1.1
138.25481	0.4
141.01837	2.9
141.06932	0.8
142.60559	0.5
144.05675	2.3
144.09361	14.6
157.10162	1.5
159.04402	0.9
159.08066	19.7
159.11681	100.0
168.62186	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
62.04134	0.4
67.05507	0.5
69.03409	0.4
71.04987	0.5
75.23943	0.4
76.93366	4.0
81.03419	7.4
81.97719	0.4
84.79451	0.3
85.02907	0.4
91.05464	5.6
93.52486	0.4
94.94413	0.7
99.04475	0.9
105.07034	7.1
109.02869	2.9
114.01128	0.4
115.05444	1.7
116.06213	0.9
117.07003	10.9
117.95971	8.3
119.08592	4.0
128.06192	0.5
129.06981	4.3
130.07777	2.0
131.05051	0.7
131.08556	25.4
131.11792	0.7
135.97008	1.7
141.01828	2.8
141.06975	1.6
142.07779	0.7
143.08504	0.5
144.05714	1.6
144.09348	14.1
157.10101	2.8
159.08046	22.7
159.11679	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05498	1.1
70.37234	0.5
71.04969	0.6
76.93372	1.1
78.56535	0.5
80.06243	0.5
81.03426	5.9
91.05462	3.9
98.97659	0.7
105.07038	7.3
109.02876	2.2
117.06994	15.3
117.95975	4.5
119.08562	3.6
129.07010	2.5
130.07777	2.0
131.08562	22.5
131.11717	0.8
135.97014	0.9
141.01865	0.8
144.09337	11.4
157.10100	3.2
159.08087	10.4
159.11681	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
59.24330	0.3
67.05508	0.8
73.67405	0.3
76.93378	7.4
78.29675	0.4
80.43735	0.3
81.03420	1.0
87.36915	0.4
91.05475	5.8
91.43132	0.4
94.94401	2.5
97.48553	0.4
105.03893	0.4
105.07030	5.1
106.53343	0.4
109.02920	0.9
115.05473	0.8
116.06208	1.0
117.06268	0.6
117.07021	9.1
117.95984	16.5
118.06548	0.6
118.07366	0.5
118.96719	0.7
119.08579	3.9
126.11025	0.4
129.06976	5.8
130.07767	1.8
131.08574	24.8
131.11758	0.4
135.97008	3.3
141.01828	1.5
142.07823	0.7
143.08580	1.0
144.05779	0.6
144.09357	14.5
157.10121	2.5
159.08064	14.0
159.11688	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.64802	0.3
67.05503	0.9
76.93372	3.6
81.03406	0.9
91.05486	5.9
94.94400	0.6
105.07018	7.5
115.05438	1.0
116.06219	0.8
117.07017	12.0
117.95974	8.4
119.08567	5.3
129.07004	5.1
130.07813	2.6
131.08560	24.5
131.11781	0.5
135.97049	1.5
141.01813	0.7
141.06984	0.8
144.05711	0.6
144.09343	14.1
157.10088	2.7
159.08075	12.8
159.11681	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
60.55681	0.8
62.16065	0.8
66.03444	0.9
67.05480	0.9
69.20954	0.7
76.03976	0.8
76.93346	1.3
81.03413	2.0
89.19909	1.0
91.05470	2.1
100.36166	0.9
101.30583	1.1
105.07043	8.0
117.07043	8.7
117.95983	4.7
119.08553	4.6
120.56248	1.0
129.06989	4.0
130.07803	1.8
131.08565	22.6
131.11816	2.1
132.05589	1.7
133.11549	1.1
141.01805	1.4
144.09351	11.4
157.10126	3.7
159.06653	7.9
159.08047	6.2
159.11685	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	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32981	0.1
60.07410	0.1
73.82891	0.1
73.85542	0.1
74.38948	0.1
82.01432	0.7
82.99835	4.6
100.02473	1.3
101.00877	40.5
103.01270	0.1
106.78023	0.1
111.00432	0.3
118.03517	1.4
119.01910	55.8
121.02325	0.3
124.02443	28.0
133.03484	0.1
136.04553	0.4
137.02948	5.7
142.03490	100.0
147.05069	0.1
156.04991	0.1
157.73462	0.1
160.04536	18.5
165.05089	1.1
178.05591	1.0
178.84203	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	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03955	0.5
54.72754	0.4
55.05521	13.8
56.05045	3.8
57.04568	8.5
57.08147	0.5
58.48433	0.4
69.03415	0.8
69.07072	21.5
69.68953	0.5
70.06589	0.6
71.04977	0.7
72.73142	0.5
74.02445	0.8
74.07207	5.0
81.03426	2.0
82.03764	1.0
84.08150	2.4
86.06070	15.1
86.09688	0.6
87.04468	22.8
96.08132	100.0
97.06535	1.9
98.09635	0.5
100.07611	0.8
101.00877	5.1
104.07109	18.4
114.09167	73.4
118.08607	0.6
119.01917	7.6
124.02453	4.3
125.07116	8.1
130.54381	0.5
137.02983	0.6
142.03508	11.8
142.08640	26.2
142.09592	1.1
157.40860	0.5
160.04584	2.8
160.09680	47.9
160.10847	54.5
160.13379	2.2
171.17517	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	160.097
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
56.96556	1.4
57.03432	1.0
58.02963	0.4
68.05027	0.3
69.03409	0.3
70.06585	0.8
76.93353	0.4
82.03735	0.5
82.99822	0.3
86.06058	0.4
91.08031	0.2
96.04468	0.4
96.08105	0.5
98.09695	30.0
98.97577	1.2
100.02480	0.2
100.07610	0.2
100.97174	2.7
100.98000	1.6
101.00881	6.2
101.06025	1.9
101.21850	0.2
103.47525	0.3
110.03190	0.2
112.07619	0.2
112.48037	0.3
114.05535	0.3
114.09176	1.3
116.98648	0.3
117.42992	0.2
117.95983	0.3
118.96768	1.2
118.98210	1.4
118.99032	1.0
119.01917	22.1
124.02444	4.4
128.02283	0.2
132.06554	1.0
132.10196	0.3
134.99590	0.3
136.99158	0.5
137.00107	0.6
137.02931	3.8
142.03506	30.4
142.08641	3.3
154.96451	0.3
160.04556	5.7
160.06110	2.8
160.09689	100.0
165.05089	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	160.1333
Annotation	DL-2-Aminooctanoic acid
Peak:m/z	Relative Intensity
56.05041	0.2
56.96573	0.4
57.03440	0.4
57.05812	0.2
58.06604	2.6
67.54523	0.2
69.03455	0.2
70.06579	0.2
71.07365	0.3
72.08158	4.6
78.17574	0.2
80.24837	0.2
82.03772	0.3
84.04500	0.4
84.80220	0.2
86.06051	0.3
98.09675	1.6
98.97581	0.2
100.97192	1.5
100.97982	0.4
101.00883	3.5
103.47547	0.3
112.48084	0.2
114.12801	100.0
117.95950	0.3
118.06577	0.3
118.95985	0.3
118.96774	0.4
118.98209	1.0
118.99024	0.3
119.01908	9.8
124.02451	2.2
132.06546	0.3
132.10187	0.3
137.02956	1.8
142.03497	14.8
142.08638	0.8
154.96411	0.2
160.04558	3.2
160.06093	1.3
160.07401	1.5
160.09703	6.9
160.13318	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19757	0.2
56.96581	2.0
60.95852	1.3
73.10348	0.2
82.99845	1.4
83.01540	0.3
83.99918	1.4
86.89185	0.2
98.97575	1.3
100.02512	0.4
100.97198	0.4
101.00880	38.2
101.02582	0.9
101.95037	2.5
101.96259	0.2
101.97182	2.9
101.98386	0.3
102.00947	23.1
110.96799	1.2
116.98599	0.3
118.03534	0.3
119.01914	100.0
119.08590	0.3
119.96058	0.5
119.97315	2.6
119.98216	1.6
120.01996	49.8
121.01567	0.2
121.02367	0.5
124.02430	0.4
124.99124	0.5
125.02557	17.7
128.97815	2.7
131.48111	0.5
133.03459	0.3
137.02959	17.3
137.98323	3.1
138.03055	6.9
140.48634	1.7
142.03484	1.6
143.01819	2.6
143.03627	90.5
149.49084	0.6
157.05330	0.2
161.01436	0.4
161.02946	7.6
161.04666	19.0
161.09612	0.9
166.05246	1.3
179.03989	4.2
179.05740	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81819	0.2
56.77705	0.2
56.96571	1.0
58.33590	0.2
60.95861	1.1
68.09789	0.2
70.21136	0.2
72.81403	0.2
82.99834	3.0
83.01532	0.3
83.99934	1.2
98.97595	2.3
100.97186	0.4
101.00878	46.7
101.95020	1.0
101.97174	2.7
101.98402	0.2
102.00940	17.9
110.96765	0.3
112.00677	0.2
115.02431	0.3
116.98613	0.9
119.01910	100.0
119.95985	0.3
119.97341	0.4
119.98197	0.9
120.01993	33.1
121.02359	0.3
124.02412	0.5
124.99098	0.3
125.02552	13.5
128.97824	1.1
137.02951	14.8
137.98323	0.4
138.03058	3.9
140.27542	0.2
140.48619	0.5
142.03471	2.3
143.00175	0.9
143.01826	3.4
143.03624	60.7
161.01071	0.2
161.01440	0.3
161.02930	8.4
161.04646	10.7
161.06029	0.4
166.05209	0.5
179.04015	4.7
179.05562	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94742	1.0
53.03939	2.1
53.25351	1.1
54.78801	1.0
55.01858	6.8
55.02180	0.8
56.58286	1.2
69.03437	9.5
79.05477	2.2
81.03420	100.0
81.87025	1.3
91.05479	18.6
93.06509	2.2
93.07041	45.0
95.04926	6.9
103.05400	1.3
105.07030	39.7
115.05444	2.0
117.07074	1.9
119.04927	7.7
119.08568	9.8
120.05581	13.9
121.06367	2.7
128.06178	7.8
129.59305	1.2
131.08575	10.6
132.05634	1.4
133.06482	10.0
133.09186	1.9
133.10129	40.7
134.07140	5.0
138.06635	1.5
143.08554	17.6
144.05591	1.4
146.07246	6.2
161.08214	12.6
161.09584	98.1
161.13234	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	4.4
69.03431	8.2
79.05470	4.4
81.03419	100.0
85.58931	1.0
91.05484	17.1
92.18456	1.3
93.07046	43.4
95.04951	4.9
105.07021	24.2
117.06999	1.7
119.04934	8.5
119.08557	5.3
120.05582	6.3
121.06425	1.5
128.06200	6.3
131.08559	6.0
133.06461	7.0
133.10130	16.5
143.08556	12.6
146.07204	2.1
161.08244	5.2
161.09596	67.5
161.10957	2.4
161.13255	2.7
164.68677	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95598	0.7
53.03946	2.0
53.04168	0.7
55.01865	5.5
55.05508	0.9
69.03426	8.3
72.23179	0.8
79.05488	4.2
81.03419	100.0
89.87461	0.8
91.05473	15.0
93.07042	45.6
95.04964	7.3
104.06342	0.7
105.06358	1.0
105.07032	23.4
115.05455	3.4
117.06992	1.8
119.04895	6.2
119.08568	4.4
128.06210	6.0
129.38455	0.9
131.08572	6.3
132.05701	1.6
133.06464	6.7
133.10133	17.6
139.79846	0.8
143.08557	10.2
146.07211	3.6
155.47118	0.9
161.09601	56.1
161.13235	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01855	4.8
55.05512	1.3
57.96526	0.9
66.75612	0.8
69.03421	8.4
79.05483	3.7
81.03419	100.0
91.05476	18.1
93.07041	44.0
95.04961	8.0
105.07030	32.1
107.04949	1.3
115.05411	0.9
117.06984	3.4
119.04927	9.1
119.08507	6.6
120.05557	4.6
121.06382	1.3
128.06226	6.1
130.91231	0.9
131.08594	8.5
132.05696	1.2
133.06461	5.5
133.10124	23.8
143.08566	11.3
146.07245	1.7
147.64230	1.0
161.08319	2.8
161.09598	59.1
161.13225	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
54.06927	0.6
55.01858	4.3
55.05511	0.8
61.79708	0.6
67.05492	0.9
69.03433	7.8
79.05482	4.2
79.27872	0.7
81.03418	100.0
91.05474	16.1
93.07038	40.5
95.04977	6.7
105.07028	29.6
111.30255	0.9
117.06966	1.1
119.04959	8.5
119.08549	5.3
120.05594	1.9
128.06192	6.5
131.08560	4.5
132.05690	1.3
133.06499	6.4
133.09172	1.2
133.10123	19.8
141.97133	0.9
143.08562	10.0
146.07239	1.7
161.09596	53.9
161.13237	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
63.79970	0.4
78.93104	1.7
79.05469	0.9
81.03407	2.2
91.05490	4.7
93.07027	0.8
96.94088	0.4
105.07030	14.6
105.07726	0.8
105.61492	0.4
107.04903	0.6
117.06970	0.9
119.04920	1.1
119.08569	10.4
119.95695	2.3
120.05553	2.9
121.06400	2.3
128.06183	2.4
131.04883	0.5
131.08562	3.7
132.05672	0.5
133.06500	1.8
133.10123	76.1
134.07086	0.7
137.96825	0.7
139.45227	0.5
143.08572	6.1
146.07262	12.2
161.05942	2.8
161.09599	100.0
161.13217	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01888	6.7
61.30330	0.8
67.05489	1.0
69.03432	8.6
77.03942	1.0
77.46872	0.8
79.05482	3.6
80.89963	0.8
81.03423	100.0
91.05474	16.5
93.07040	44.9
95.04996	6.4
105.07039	24.3
117.07032	1.9
119.04932	7.3
119.08571	4.5
128.06248	9.7
131.08575	6.7
133.06470	5.8
133.10130	16.5
143.08553	10.8
146.07254	2.1
161.09602	55.8
161.13237	3.7
163.41252	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.15587	0.4
53.69086	0.6
55.05502	1.9
57.23610	0.4
60.49050	0.4
67.05510	0.6
69.03432	0.6
69.07045	1.2
75.06745	0.5
78.93099	2.1
79.05474	1.1
81.03400	2.3
81.07033	2.8
91.05486	6.8
93.04531	0.7
93.07059	3.4
95.04931	0.8
96.94151	0.5
98.93456	0.5
103.05479	0.5
105.07031	40.7
107.08530	0.7
115.05436	0.9
117.06994	3.0
119.04925	2.6
119.08574	62.8
119.95734	3.3
120.05564	2.3
121.06427	1.0
128.06215	2.8
130.07790	0.6
131.08578	3.1
133.06506	2.4
133.10126	52.0
134.07161	0.6
137.96735	0.7
143.08545	7.4
145.10161	4.7
146.07303	3.6
146.10918	2.1
159.11678	2.2
161.06000	4.7
161.08322	1.9
161.09608	42.9
161.13245	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
62.92209	0.7
67.05489	1.2
67.41956	0.8
68.51907	0.8
69.07063	3.5
75.11140	0.7
79.05479	3.9
81.07074	8.2
91.05476	10.3
93.07037	4.3
95.08588	1.7
97.83170	0.9
99.43298	0.8
103.05468	1.6
105.07033	49.6
107.08596	1.0
115.05455	1.6
117.06951	1.0
119.08579	51.1
121.10134	15.3
131.04903	0.9
131.08536	1.8
133.06525	6.1
133.10123	73.5
142.60847	0.8
143.08571	5.2
146.03627	3.5
146.07275	4.8
146.10904	1.5
159.11687	1.4
161.05963	21.7
161.09612	49.1
161.13246	100.0
168.34422	0.9
176.09756	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05502	4.3
69.07057	3.1
80.19706	0.7
83.08638	0.7
86.94250	0.7
91.05460	3.5
93.00726	0.7
105.07040	12.3
119.08572	100.0
121.10123	2.9
131.08583	1.0
132.18779	0.8
133.10133	19.8
144.66997	0.9
151.17244	0.7
161.05939	3.9
161.09592	3.5
161.13239	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.50196	0.8
55.05510	2.0
56.93906	0.7
57.72713	0.7
69.07060	3.3
91.05471	1.6
93.07032	1.5
105.07040	23.7
105.73014	0.9
107.08560	1.5
115.05436	1.1
117.07018	1.8
118.04135	1.0
119.08572	41.0
121.10140	42.8
128.06247	1.0
129.03520	0.8
131.08559	1.1
133.06583	1.4
133.10123	100.0
143.08641	3.3
145.09999	1.0
146.07295	2.0
146.10901	1.0
159.11716	1.4
161.05969	18.2
161.09610	29.6
161.13246	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1125
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
55.05283	0.5
55.05519	11.7
56.05047	0.5
56.96558	2.4
57.03429	1.9
58.06594	2.8
59.07369	0.8
60.07905	0.5
60.08171	10.5
71.04972	2.9
72.04505	2.9
73.02910	0.5
73.06165	0.8
73.06557	15.7
74.06063	0.7
75.48628	0.4
80.82106	0.5
81.03403	0.6
84.04501	7.6
84.08137	11.4
85.02904	5.4
85.51080	0.4
90.05557	14.9
94.02314	0.4
97.02909	0.6
97.96789	0.8
98.06063	3.6
98.97582	4.5
99.04440	1.9
101.00860	0.7
102.05533	2.0
102.09181	52.9
102.96867	1.0
103.00639	0.6
103.03943	16.7
109.02884	0.6
110.01232	2.2
116.07096	4.8
117.02013	0.9
119.01794	3.0
120.06538	0.7
120.97886	0.5
121.01624	0.5
126.02565	1.9
128.02335	3.8
130.04970	0.9
135.03107	3.1
137.76044	0.5
137.94862	0.4
140.65820	0.5
143.03690	0.6
144.02034	0.7
144.03558	3.9
144.06555	2.9
144.10156	0.9
146.12552	0.4
153.04128	2.7
162.07623	1.9
162.11243	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	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
69.03416	0.9
72.06733	0.6
77.03954	1.0
79.05498	6.9
79.50293	0.7
80.79663	0.7
81.03403	3.5
85.02905	3.4
89.03912	29.1
95.04980	1.0
97.02848	0.7
103.05473	6.4
107.04952	10.1
111.45902	0.7
116.96195	0.7
117.03367	41.5
125.08481	0.8
126.84150	0.7
130.06535	1.1
131.04927	17.1
132.08086	2.8
135.04413	89.1
145.02849	50.6
145.03864	2.0
161.85545	0.7
163.03888	100.0
163.07518	10.7
163.12285	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	163.0389
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
53.03944	0.8
53.61387	0.4
55.01873	0.5
57.03427	3.1
61.02924	1.1
62.98327	0.4
63.02361	0.6
69.03430	5.5
71.04982	0.9
72.42892	0.4
73.02912	0.9
79.05490	4.6
81.03412	9.4
81.07037	1.1
85.02396	0.7
85.02896	15.5
85.06538	2.0
88.32062	0.4
89.03909	21.0
91.05453	0.5
95.04964	1.2
97.02863	2.3
98.61511	0.6
99.04421	1.0
101.02358	0.6
103.05471	7.3
105.04478	0.5
105.05849	0.6
107.04951	11.7
109.02876	4.3
109.43564	0.5
117.03371	36.9
117.06970	0.9
121.10075	0.7
127.03888	2.2
131.04919	18.8
132.08031	0.6
133.07579	1.0
135.04410	76.9
136.61279	0.5
145.02837	40.0
145.03865	1.4
145.06480	2.0
145.07584	3.9
146.15747	0.5
161.00737	0.5
163.03880	100.0
163.07487	14.6
163.08659	21.4
163.11133	1.8
163.12302	2.8
169.18170	0.5
179.81013	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	163.0389
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
53.03944	0.7
57.03436	0.7
59.04982	0.4
61.02925	0.5
62.78803	0.4
64.37247	0.4
67.05487	2.2
68.99776	2.2
69.03409	2.5
71.02810	0.4
71.04998	4.0
73.02876	0.4
79.05495	4.8
81.03412	3.3
85.02894	6.6
85.06533	0.7
89.03932	3.9
91.05469	0.6
92.17875	1.0
95.04960	2.0
97.02880	0.9
103.05465	25.7
107.04954	11.6
107.08595	0.6
109.02874	1.0
109.10147	1.8
117.03369	6.1
117.06975	0.9
121.02810	1.8
121.06448	0.8
127.03908	0.5
127.11170	3.0
131.04922	71.7
132.08095	0.7
135.04413	36.8
135.08063	1.0
145.02838	8.2
145.06516	0.6
163.03888	100.0
163.07521	48.1
163.08603	2.1
163.11125	0.8
163.12317	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.30228	0.5
62.65694	0.6
63.02379	1.0
79.05484	3.9
83.78185	0.6
85.76315	0.6
89.03411	1.0
89.03917	23.3
92.17940	0.9
95.04955	1.0
101.48875	0.7
104.96617	0.7
107.04958	9.7
113.42583	0.7
117.03369	46.4
131.04889	0.8
135.04411	84.7
145.02847	46.2
145.03871	2.0
163.03889	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	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.80534	1.1
54.01942	1.3
55.01860	3.0
55.42040	1.3
57.03441	9.4
61.02938	11.8
69.03075	1.9
69.03420	25.1
71.04978	2.8
73.02901	7.9
79.05489	5.8
81.03419	9.3
81.07037	2.0
85.02385	2.8
85.02901	83.7
87.04458	2.6
91.05463	4.9
93.07022	6.3
95.04932	1.4
95.08568	1.9
97.02896	15.0
103.04812	2.5
103.05463	47.1
105.07011	9.0
107.04940	5.7
107.08598	13.0
109.02865	7.9
117.07027	3.2
121.06482	6.6
121.10132	7.6
125.50925	1.4
127.03890	7.5
131.04919	100.0
135.04424	20.6
135.08052	30.3
135.11646	3.2
145.06520	5.3
145.10106	7.2
163.03882	31.5
163.07521	85.2
163.09787	2.9
163.11136	27.4
163.14844	6.2
171.22636	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	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01877	5.0
57.03441	10.5
57.79459	0.3
61.02930	18.4
61.57362	0.4
63.63943	0.4
69.03431	31.0
70.95872	0.8
71.01340	0.7
71.04985	4.0
72.93768	3.2
73.02911	8.6
77.03907	0.4
79.05507	0.5
81.03413	16.6
83.01340	0.7
85.02905	100.0
87.04469	2.9
88.96877	0.9
90.94814	1.0
91.03943	3.1
97.02882	16.4
99.04414	4.9
101.02386	2.7
103.03925	0.9
103.05460	19.0
103.09544	0.5
103.64911	0.4
105.07024	0.5
106.06535	0.5
107.04955	1.0
107.08592	0.5
109.02872	11.1
115.03920	1.0
121.10092	0.6
122.51578	0.4
127.03914	8.5
130.06520	0.7
131.04919	61.3
132.08089	2.3
135.04420	2.6
135.05403	0.5
135.08109	0.8
144.99472	3.0
145.04994	0.7
145.06508	0.6
163.00537	2.4
163.03877	9.1
163.05122	1.3
163.07520	41.6
163.08565	1.5
163.11198	2.0
163.12311	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	163.0753
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
55.01873	1.4
79.05476	4.3
81.07063	4.8
91.05466	11.1
93.07045	1.2
95.04963	1.1
95.08587	0.7
100.75224	0.7
103.03424	0.7
105.07045	5.1
107.04922	3.7
107.08587	28.6
109.06503	1.3
115.05441	14.3
117.07014	25.6
119.06049	3.2
119.08575	0.8
119.97988	0.7
121.06512	8.7
121.10146	0.7
122.06004	1.1
122.07182	2.5
133.06462	2.8
135.04446	1.3
135.08046	100.0
145.06480	18.2
145.10201	1.0
163.03912	0.8
163.07524	42.5
163.11139	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	163.0753
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
54.03470	0.5
55.01878	5.7
56.43929	0.4
57.43346	0.4
57.49560	0.4
67.59301	0.5
77.38481	0.4
77.74969	0.4
78.99867	0.4
79.05495	1.9
80.13657	0.4
81.03439	0.6
81.04519	1.0
81.07023	0.7
84.28217	0.4
85.74571	0.5
91.05460	4.6
92.17879	0.6
93.07029	2.1
95.04940	1.8
95.06056	0.5
103.05473	0.6
105.07004	0.9
107.01303	1.7
107.04940	3.4
107.08602	6.5
111.10037	0.4
115.05450	3.7
117.07008	18.7
120.05568	0.7
121.02831	0.6
121.06489	21.5
121.10062	0.6
122.06232	0.6
122.07143	8.4
123.07950	0.5
135.04420	0.8
135.08043	29.8
136.08736	0.7
143.37218	0.4
145.06485	6.6
145.10155	0.6
146.82506	0.5
148.05188	0.9
163.07524	100.0
163.09761	6.0
163.11165	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	163.0753
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
55.01878	3.9
55.05531	0.4
58.60292	0.3
58.99852	0.3
65.03951	0.5
67.05531	0.3
69.03423	0.6
79.05495	5.2
81.03417	1.4
81.07059	2.4
89.03866	0.3
91.05482	10.7
93.07043	5.0
95.04971	1.6
95.08625	0.7
103.05473	0.8
105.07024	6.5
107.01319	0.5
107.04946	5.2
107.08593	25.6
109.06528	2.3
115.05452	14.0
116.06226	0.4
117.07017	27.3
119.06065	1.7
119.08572	1.6
121.06506	9.6
121.10157	1.9
121.95705	0.5
122.07157	2.0
131.04903	3.1
133.06485	2.1
135.04460	5.3
135.08051	100.0
135.11687	1.6
145.05307	0.5
145.06479	23.9
145.10179	2.7
163.03888	8.7
163.07529	54.5
163.11148	11.6
163.14838	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03947	0.6
54.73731	0.6
57.03432	3.1
60.59047	0.6
61.33360	0.7
67.36129	0.7
69.03425	1.6
73.27531	0.7
79.05490	7.1
81.03419	5.6
81.07025	0.8
85.02884	4.8
89.03901	4.1
91.05484	7.0
93.07024	3.2
95.04948	1.3
95.08591	1.1
101.02359	0.8
103.05467	36.7
105.04519	0.8
105.07014	3.5
107.04973	9.6
107.08575	9.2
109.02881	2.9
117.03349	5.2
117.07014	2.9
119.08559	1.3
121.02846	0.7
121.06463	1.3
121.10105	3.1
121.95737	3.3
130.06488	1.3
131.04927	100.0
132.08110	3.8
135.04416	60.2
135.08066	7.2
135.11644	1.4
137.10252	0.8
139.01793	1.3
145.02809	1.5
145.06471	4.1
145.07576	1.5
145.10094	4.0
151.58795	0.8
158.04192	0.8
158.32465	0.8
163.01787	3.1
163.03886	43.0
163.05069	3.9
163.07515	75.9
163.08620	4.6
163.11166	9.4
163.12320	4.0
163.14755	1.0
178.06258	0.7
181.02748	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03960	0.6
55.01862	0.4
55.77658	0.4
57.03426	1.5
59.68565	0.4
61.02938	0.7
62.74551	0.3
63.02388	0.4
63.84046	0.3
64.52735	0.4
69.03450	2.7
73.02917	0.4
77.03910	0.4
79.05511	2.9
81.03417	5.2
85.02905	5.4
89.03916	11.1
90.78326	0.4
95.04984	0.5
97.02885	0.8
99.04456	0.5
101.02361	0.5
103.05463	33.9
105.04503	0.6
106.06582	0.7
107.04971	4.3
109.02853	1.4
117.00520	0.4
117.03368	17.7
117.07004	0.4
127.03941	0.7
130.06523	0.9
131.04916	100.0
132.08084	3.0
135.04410	43.1
135.08058	0.6
145.01669	0.8
145.02841	21.9
163.03888	48.5
163.07523	69.1
163.12277	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	163.0753
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.98104	0.4
53.67893	0.4
54.03460	3.6
55.01875	5.3
56.05022	0.6
62.57787	0.5
63.23792	0.5
67.05470	0.7
68.05015	0.7
69.03427	0.8
79.05498	3.9
81.03425	4.5
81.04528	4.7
81.07057	13.0
82.05311	1.0
87.05431	0.5
91.05466	5.7
93.07033	8.8
95.04954	3.1
95.06097	3.1
95.08591	2.2
103.05463	0.7
105.03406	5.6
105.04501	1.2
105.07037	3.0
107.01283	2.5
107.04962	6.2
107.06086	1.0
107.07934	0.8
107.08588	11.9
108.05624	1.0
109.07615	0.6
115.05429	5.5
117.07008	21.8
119.05984	0.6
119.08558	3.8
120.05608	2.1
121.06497	27.0
121.10149	4.9
121.10956	0.5
121.95692	0.7
122.06152	1.9
122.07141	29.1
123.07934	2.4
131.04927	1.2
132.08102	0.6
133.06497	0.6
135.04424	2.3
135.08049	36.2
135.11681	2.8
136.08669	4.9
145.06470	7.2
145.10139	6.7
146.07144	2.1
148.05173	0.8
149.25540	0.5
163.03896	6.0
163.07530	100.0
163.09776	19.8
163.11177	32.8
163.14830	3.5
174.38245	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
62.11622	0.4
91.05462	0.7
93.07014	0.7
95.04934	0.3
103.04816	0.7
103.05466	12.5
103.06152	0.5
105.07043	0.4
107.08578	2.3
113.56596	0.3
115.05441	2.2
117.06265	0.5
117.07027	6.8
121.06463	0.4
121.10143	0.6
127.06372	0.4
131.04919	35.5
135.08060	3.3
135.11646	0.7
145.06488	1.0
163.07529	100.0
163.14818	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03941	0.2
57.49202	0.2
57.85501	0.2
59.01198	0.2
60.03789	0.2
73.78114	0.3
79.05495	0.5
81.07037	0.4
91.05458	0.6
93.07038	1.4
95.04932	0.3
95.08588	0.4
103.05463	36.6
105.07058	0.2
107.04975	0.3
107.08595	2.4
117.07002	0.5
119.08572	0.3
121.10134	1.1
121.26206	0.2
131.04919	100.0
134.52542	0.2
135.04366	0.5
135.08069	2.2
135.11662	0.6
145.06462	0.4
145.10147	1.0
163.03932	2.6
163.07526	66.2
163.11119	3.4
163.14777	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	163.0865
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03947	1.1
55.01864	1.3
56.96577	0.2
57.03442	2.7
61.02930	4.9
69.03430	9.6
71.01352	0.4
71.04992	1.7
71.17982	0.2
73.02914	2.6
79.05492	0.4
81.02980	0.4
81.03421	7.1
85.02905	29.1
87.04434	1.0
89.03892	0.3
89.13977	0.2
91.03943	0.4
91.05470	0.5
93.07035	0.3
97.02885	5.1
99.04446	1.6
100.21111	0.2
101.02375	0.9
103.05473	3.4
107.04949	1.3
109.02872	3.2
117.03386	0.4
117.07015	0.3
118.06546	0.3
121.01655	0.3
127.03890	2.4
130.06538	0.3
131.04924	7.7
132.08078	0.5
133.07613	4.8
135.04414	1.5
135.08035	1.0
144.95868	0.3
145.02838	0.3
145.05005	0.4
145.06537	0.5
145.07602	6.6
146.08415	0.3
163.03925	6.4
163.07549	5.4
163.08655	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.09324	0.4
53.03949	0.6
55.01858	0.8
55.05519	0.6
67.05509	0.7
69.03426	1.2
69.07056	0.6
71.05021	0.5
77.33360	0.6
79.05497	7.5
81.03430	25.3
81.07063	73.2
91.05478	4.7
93.07046	13.7
95.04956	3.5
95.06094	0.7
95.08594	3.3
103.05482	0.9
105.07060	4.8
107.04971	4.0
107.08591	11.9
109.06547	0.8
115.05440	2.1
117.07019	5.2
119.08571	10.8
121.06504	5.0
121.10143	8.0
121.95743	0.8
122.06045	2.1
122.07149	4.8
129.90320	0.5
130.07791	1.2
131.04907	2.4
133.03006	0.6
133.10101	0.8
135.08040	8.8
135.11670	7.3
136.08701	0.6
145.06500	2.0
145.10126	17.3
148.08873	0.8
158.75951	0.7
163.03918	4.7
163.07579	6.7
163.10010	3.6
163.11171	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.48621	0.5
50.78186	0.5
50.82512	0.5
53.03955	0.6
54.40598	0.6
55.05504	1.0
63.56008	0.5
67.05490	3.1
69.03425	1.3
69.07050	3.8
73.24686	0.7
79.05499	8.2
81.03423	28.2
81.07058	87.6
91.05483	6.7
93.07038	16.0
95.04960	4.2
95.06125	1.0
95.08595	7.8
95.34237	0.7
102.63166	0.6
103.05439	1.6
105.07024	4.7
107.04925	7.0
107.08588	27.3
115.05431	1.4
117.07011	8.2
119.08573	11.3
121.06499	3.5
121.10144	9.5
121.86117	0.7
121.95758	1.2
122.06335	0.7
122.07156	9.2
130.07704	1.2
131.04913	4.0
133.10132	0.7
135.04387	3.6
135.08060	9.0
135.11685	11.5
145.06468	3.5
145.07591	0.6
145.09071	1.1
145.10126	17.5
163.03917	12.4
163.07529	14.5
163.09966	3.6
163.11162	100.0
163.14789	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	163.1117
Annotation	Valerophenone
Peak:m/z	Relative Intensity
55.05504	0.9
60.70905	0.8
69.03424	1.6
69.07077	1.3
79.05042	1.1
79.05495	26.5
81.02981	0.9
81.03424	18.3
81.07062	54.3
83.04982	0.8
86.06896	0.8
91.05462	4.2
93.07046	16.8
95.04955	5.3
95.08567	3.5
105.03392	29.3
105.07028	7.1
107.04964	6.0
107.08595	15.8
109.06522	1.0
117.06999	6.2
119.08573	17.0
121.06520	6.3
121.10140	10.6
122.06026	86.7
130.07774	1.5
131.04922	1.0
133.10083	1.1
135.08032	3.7
135.11673	8.9
145.06436	0.8
145.10117	25.1
148.08807	0.8
163.03894	4.1
163.07549	1.8
163.11163	100.0
163.14828	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.61468	0.8
55.01856	3.9
55.05510	0.9
67.05496	1.6
69.03409	2.0
69.07038	1.0
76.87555	1.2
79.05487	11.1
81.03421	8.4
81.04529	4.2
81.07056	23.9
83.04897	0.9
91.05474	10.0
93.07041	22.1
95.04946	4.1
95.06075	1.6
95.08588	3.9
103.05453	4.4
105.07034	15.1
107.04952	6.9
107.08586	27.0
108.05595	1.0
109.06495	1.2
115.05395	2.1
117.06278	1.2
117.07008	18.1
119.08571	21.1
121.06508	9.4
121.09304	1.6
121.10129	34.8
121.95675	1.5
122.06038	4.1
122.07137	30.8
123.07925	2.1
128.06163	1.4
130.07788	10.9
131.04951	7.6
133.10107	7.9
135.04375	5.5
135.08046	21.0
135.11703	9.7
136.08693	2.2
143.08548	1.5
145.06450	5.3
145.10118	49.9
146.07208	1.3
158.00027	0.9
163.03882	14.5
163.06148	1.2
163.07538	29.7
163.09775	18.3
163.11134	100.0
163.14793	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.80201	0.7
52.56763	0.8
54.03458	1.1
67.05486	1.0
69.03426	1.1
69.07060	1.1
79.05502	6.2
81.03421	28.4
81.04527	1.4
81.07056	91.3
82.71655	0.8
91.05470	3.7
93.07040	9.6
95.04942	3.3
95.06055	0.9
95.08595	3.1
95.78461	0.7
105.03386	1.2
105.04458	0.9
105.07022	4.6
107.04914	1.9
107.08582	9.0
117.07005	3.7
119.08551	9.0
121.06477	4.0
121.10135	3.2
122.06027	4.4
122.07124	12.3
133.10158	1.1
135.08058	1.8
135.11694	6.1
136.08693	1.1
145.10103	17.1
163.03880	6.8
163.07539	6.2
163.09805	9.1
163.11150	100.0
163.14815	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
54.03482	8.4
55.01876	0.8
56.05042	0.8
66.03486	1.0
67.02966	0.7
67.05495	1.8
68.05028	3.1
69.03407	1.2
69.07075	1.3
71.13138	0.6
79.05507	7.6
80.05003	0.9
81.03425	13.6
81.04534	13.3
81.07056	11.4
82.05324	3.3
83.06102	1.2
91.05492	5.9
93.04523	1.1
93.06586	0.9
93.07055	13.9
95.04956	5.3
95.06079	9.4
95.08611	5.7
96.06865	1.3
97.07687	0.9
105.03345	1.5
105.04526	1.7
105.07027	6.8
107.04951	12.7
107.06054	1.1
107.08593	11.1
108.05631	1.0
109.07629	0.9
117.03352	0.7
117.07031	6.0
119.08578	16.8
120.05599	1.6
121.06477	3.7
121.07600	2.8
121.09377	0.6
121.10126	6.5
121.61622	0.7
122.03538	0.9
122.07147	76.9
123.07887	5.7
130.07779	1.8
131.04962	1.3
133.02930	0.8
135.04453	1.4
135.08020	6.5
135.11678	9.6
136.08705	12.0
140.08208	3.2
145.06496	1.0
145.10126	22.9
146.07133	7.1
163.03906	9.9
163.06161	1.6
163.07483	3.9
163.09776	43.9
163.11176	100.0
163.14803	3.5
170.16672	0.7
178.67409	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.39512	0.5
55.01884	3.7
55.05507	1.0
69.03440	4.3
69.07073	5.5
79.05489	8.0
81.07054	7.2
83.08613	1.2
91.05479	5.1
93.07040	13.8
95.04922	1.0
95.08618	5.6
97.02871	0.6
103.05461	13.0
105.07018	5.6
107.04941	9.1
107.08588	38.0
107.83566	0.5
115.05437	2.7
117.02037	0.6
117.03399	0.7
117.07005	12.6
119.08590	4.5
121.06492	5.6
121.10127	17.0
130.07762	0.9
131.04915	26.7
133.02856	2.6
135.04393	3.7
135.08051	8.4
135.11676	13.5
145.06483	5.7
145.10117	20.2
148.08838	0.6
163.03882	15.0
163.07529	44.3
163.11162	100.0
163.14806	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
54.13615	0.8
55.05286	0.9
55.05519	17.6
57.07081	44.5
59.05001	1.0
69.03428	1.2
69.07073	1.3
74.20487	0.8
75.95053	0.9
76.64083	0.8
79.05479	4.9
81.03394	1.0
81.07042	4.0
83.08599	4.6
83.66087	1.2
85.02905	1.0
89.06030	35.3
91.05492	1.4
91.10711	0.9
93.07039	7.0
95.04947	1.1
95.08591	1.6
101.09653	5.8
101.60023	0.8
103.05469	40.5
105.07034	3.9
107.04960	2.2
107.07053	5.4
107.08590	19.3
107.49345	0.8
115.05428	1.4
117.07001	6.0
119.08560	1.2
121.06454	1.0
121.10133	11.0
131.04922	94.0
133.02895	1.9
135.04402	5.9
135.08037	5.8
135.11659	7.5
145.06474	3.9
145.10117	5.1
163.03889	22.6
163.07530	100.0
163.11143	14.2
163.14778	10.3
175.85023	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	164.0707
Annotation	p-Acetaminobenzaldehyde
Peak:m/z	Relative Intensity
52.68591	0.2
52.98819	0.2
56.05037	0.2
60.04520	0.5
62.29498	0.3
64.78777	0.2
70.06797	0.3
72.08131	0.3
78.95253	0.5
82.01454	2.9
83.55610	0.3
91.05437	0.4
95.04906	0.6
100.02486	4.2
118.03458	0.9
119.97864	0.4
121.05118	0.5
123.04454	0.4
134.06009	4.7
136.04826	0.3
136.07570	3.2
137.04451	0.3
140.95221	0.4
141.02661	0.5
146.06035	1.0
146.08109	0.4
147.02998	0.3
147.06795	0.6
158.96283	0.4
164.05731	5.7
164.07039	100.0
165.04071	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	164.1069
Annotation	EPA
Peak:m/z	Relative Intensity
53.49901	0.9
58.01014	0.9
58.06345	1.2
58.06605	16.1
63.07433	0.8
65.12536	0.7
66.84473	0.9
72.04498	1.6
72.52040	1.0
77.31310	0.8
81.62836	1.0
82.01439	9.6
91.05480	71.1
95.04952	16.0
96.20463	0.9
100.02493	12.1
101.03290	0.9
118.03520	3.5
119.04935	54.0
123.04438	19.2
164.10696	100.0
184.72694	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	164.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03963	1.8
58.06603	9.2
58.06847	0.6
61.80905	0.4
64.07660	0.4
67.05508	0.5
72.04528	0.9
77.03941	2.0
82.01441	10.1
89.74821	0.5
91.05473	61.6
95.04962	68.4
100.02479	19.7
105.04514	1.9
118.03519	3.9
119.03673	0.5
119.04933	49.5
123.04420	100.0
134.09666	0.8
141.02788	0.4
146.08028	0.6
147.04420	0.4
164.10686	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1069
Annotation	EPA
Peak:m/z	Relative Intensity
53.03957	1.2
55.72994	0.2
57.94197	0.2
58.06607	14.2
65.03948	0.5
66.53854	0.2
67.05513	1.2
72.04512	3.8
77.03932	1.2
82.01442	6.3
91.05482	75.7
91.11320	0.2
92.17852	0.4
93.07059	0.3
95.04967	64.2
100.02481	17.0
103.05486	0.3
104.05823	0.3
105.04518	2.9
108.08974	0.3
118.03518	3.6
119.04942	63.1
123.04429	94.8
132.05266	1.9
134.09645	1.5
149.08379	0.4
152.54990	0.3
164.10703	100.0
173.47951	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	164.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06349	0.7
58.06605	12.3
65.03927	0.6
66.27831	0.5
69.35323	0.5
70.12868	0.6
72.04507	1.4
75.95866	0.5
79.13515	0.6
82.01444	0.7
84.36151	0.5
91.05479	85.2
95.04977	1.1
101.93535	0.6
119.04939	69.3
123.04435	1.2
164.10704	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	164.107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06350	0.9
58.06603	13.3
67.19146	0.8
70.04925	0.8
72.04496	1.7
79.28812	0.7
82.01425	1.6
91.05482	67.3
95.04967	13.1
100.02486	4.1
119.04944	54.1
123.04427	18.3
124.30778	1.0
126.67564	0.9
148.29524	0.9
164.10707	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	164.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
58.06606	12.8
61.45203	0.4
65.03944	0.8
68.35965	0.4
69.25262	0.4
72.04506	1.2
82.01450	6.0
91.05478	74.1
95.04965	32.6
100.02482	12.0
103.05486	0.7
104.05782	3.4
105.04479	0.9
118.03497	2.1
119.04936	63.9
123.04423	47.6
131.04915	1.1
132.05243	6.4
134.09645	1.0
149.08382	0.6
164.08014	4.4
164.10690	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	164.107
Annotation	EPA
Peak:m/z	Relative Intensity
50.48431	0.3
53.03946	0.5
54.21105	0.4
58.06602	13.5
60.07918	0.4
63.97842	0.4
65.03951	0.4
72.04511	2.9
77.03934	0.6
82.01452	7.1
84.57645	0.4
91.05477	77.1
94.02942	0.4
95.04964	24.2
99.10729	0.4
100.02483	15.1
104.05824	0.5
108.08933	0.8
109.81766	0.4
118.03504	3.4
119.04936	63.7
123.04426	40.1
123.05293	0.9
123.08030	0.8
132.05255	3.3
134.09615	1.6
141.70700	0.5
147.38887	0.4
164.04417	1.2
164.10696	100.0
166.31334	0.4
172.48033	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	164.1069
Annotation	EPA
Peak:m/z	Relative Intensity
58.06364	0.8
58.06604	13.4
59.94278	0.7
72.04492	1.5
72.28418	0.8
82.01433	1.7
83.27657	0.8
91.05482	62.1
95.04967	20.1
100.02496	1.8
118.03591	0.8
119.04940	48.4
123.04425	27.4
164.10699	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	164.1069
Annotation	EPA
Peak:m/z	Relative Intensity
58.06350	0.9
58.06604	14.2
60.58590	0.6
64.49413	0.6
65.03930	1.0
72.04499	1.3
78.43046	0.8
83.00031	0.6
85.70654	0.7
87.93592	0.6
91.05478	78.3
91.57439	0.6
103.05517	0.7
119.04934	67.2
123.04415	1.2
123.49200	0.6
134.09694	1.0
155.70724	0.7
159.94540	0.6
164.10701	100.0
180.98163	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	165.0546
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.19495	0.2
55.01848	0.3
55.05525	0.3
65.03925	0.5
67.05496	1.6
68.99743	0.3
69.03432	2.0
75.75120	0.3
79.05483	1.4
81.07043	1.4
91.05482	10.2
92.17947	0.6
95.04943	1.6
95.08587	0.3
100.02481	0.4
101.00869	1.4
103.05470	0.4
105.07030	8.7
107.04996	0.4
107.08567	0.4
109.06521	2.6
109.10178	2.4
111.32378	0.3
119.01920	1.4
119.04939	38.9
119.08584	3.0
121.06531	0.3
122.07252	0.3
123.04417	4.3
123.08054	1.5
124.02403	0.4
124.03954	0.3
133.02806	0.4
133.06493	7.7
137.05971	18.0
137.09616	3.5
142.03516	2.4
147.04407	100.0
147.08034	2.5
150.06712	0.4
165.01804	1.3
165.05470	33.6
165.09099	19.2
165.12769	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84992	0.3
65.03954	0.5
68.81870	0.3
86.73927	0.3
91.05470	9.0
106.42146	0.4
118.55539	0.3
119.04935	38.4
119.08683	0.4
121.83488	0.5
123.04395	1.6
133.06497	0.5
137.05988	10.2
147.04404	100.0
165.05464	25.4
165.06891	0.5
165.09163	0.4
167.37547	0.4
181.40811	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	165.0546
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
55.01863	0.7
57.03436	0.9
63.43163	0.7
65.63670	0.6
67.05514	2.5
69.03419	4.5
73.12190	0.6
79.05473	5.7
81.07050	1.7
82.01447	1.6
83.01525	4.2
83.05005	1.0
85.02882	1.0
91.05473	15.4
93.07022	3.7
95.04951	4.2
95.08593	4.5
96.05280	1.4
100.02478	5.5
101.00872	7.5
101.02549	13.7
105.07055	6.2
107.04947	3.1
107.08566	1.2
109.06540	2.8
109.10146	3.7
117.07069	0.9
119.01912	25.6
119.03595	4.0
119.04931	41.7
119.08572	13.1
121.10125	3.1
123.04428	6.1
123.08045	4.0
124.02435	3.5
124.03953	3.2
124.04864	4.2
133.02824	0.9
133.06548	1.0
137.03050	4.8
137.05972	18.6
137.07008	0.8
137.08688	0.8
137.09587	8.5
142.03496	26.4
147.04402	100.0
147.08035	8.2
156.31187	0.7
160.04579	4.2
165.01810	4.2
165.05469	47.2
165.06839	3.7
165.07748	1.4
165.09042	17.5
165.10175	1.8
165.11383	1.4
165.12741	2.6
165.13937	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	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
52.74609	0.3
53.03941	0.4
56.96570	0.5
59.39194	0.3
65.03913	0.4
69.03431	2.6
77.03897	0.5
81.03400	0.4
81.07050	0.3
82.99846	0.6
83.04961	0.4
85.02893	0.5
90.82249	0.3
91.05482	35.2
93.07039	0.8
95.04967	32.5
98.97578	0.7
101.00882	14.2
101.02620	0.5
103.05463	3.3
105.04508	0.6
105.07037	0.3
109.06540	2.5
109.11580	0.3
110.01276	0.7
110.97591	0.7
118.51054	0.3
119.01921	24.0
119.04940	51.1
121.06496	2.0
123.04426	100.0
124.02458	5.6
124.03971	1.6
137.02979	3.2
137.06013	3.5
142.03499	23.0
143.00218	0.3
147.04407	19.1
147.05402	0.7
152.83017	0.3
160.04506	2.4
165.05420	5.1
165.07483	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	165.0546
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
57.03416	0.2
58.48368	0.2
65.64386	0.2
66.04699	0.3
66.65236	0.3
67.05495	0.5
68.03220	0.2
68.99782	1.1
69.03426	0.5
69.25219	0.2
69.26969	0.2
74.20007	0.2
76.06051	0.2
77.03918	0.3
79.05486	2.2
81.03432	0.3
81.07056	1.5
82.01419	0.4
85.02886	0.3
91.05488	2.1
92.28982	0.2
93.07028	0.5
94.04196	0.4
95.04932	1.5
96.05291	0.6
100.02469	0.6
101.00872	3.1
101.02547	2.4
105.07005	0.6
105.32061	0.3
107.04948	3.5
107.08596	0.3
109.02891	0.3
109.06511	1.3
109.10128	0.5
112.40977	0.2
119.01917	6.3
119.03587	0.6
119.04938	2.4
119.08583	2.3
122.03636	5.8
123.04411	1.4
123.08044	0.6
124.02439	1.2
124.03941	0.4
124.04810	0.5
125.05984	1.3
135.04433	0.6
135.05496	0.3
137.02986	0.4
137.05977	3.0
137.09610	1.4
141.86555	0.3
142.03494	7.5
147.04410	7.8
147.08067	1.8
150.03081	2.3
153.42653	0.3
160.04573	1.4
165.05461	100.0
165.09052	3.1
168.04195	1.5
172.30315	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.38153	0.2
65.03925	0.9
88.32663	0.2
91.05479	6.7
95.04948	0.3
105.07024	0.7
118.55834	0.2
119.04935	27.7
120.10300	0.2
123.04422	1.4
130.48625	0.2
132.08743	0.2
133.06464	0.9
137.05980	1.0
147.04399	100.0
157.43422	0.2
165.05489	1.3
165.09108	0.3
171.64772	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.22797	0.4
62.79198	0.3
69.03403	0.6
79.05493	0.4
91.05473	8.1
97.72770	0.4
105.07025	6.0
109.06592	0.6
118.98129	0.5
119.04937	35.6
123.04420	1.8
126.42369	0.4
133.06485	6.9
137.05963	17.6
147.04402	100.0
159.72989	0.5
165.01781	1.4
165.05457	27.6
165.09094	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	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
55.01875	0.9
79.05476	5.7
86.68719	0.8
87.33736	1.0
91.05465	1.0
103.05430	4.2
105.07019	84.6
109.06514	3.2
113.26662	1.1
122.03653	1.1
124.05206	2.0
133.06476	100.0
137.05968	84.6
147.04333	6.6
150.06752	1.1
155.37790	0.9
159.22459	1.0
165.05417	1.4
165.09082	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
55.05504	1.4
69.07047	0.2
74.30567	0.2
77.03899	0.3
77.24028	0.2
79.05494	0.2
81.07038	0.2
89.45078	0.2
91.05469	1.7
93.07039	0.2
95.04955	1.1
95.86563	0.2
101.86866	0.2
103.05473	0.3
105.03388	0.5
105.07032	3.6
107.04965	0.2
109.06518	0.3
119.04933	3.5
119.08575	1.6
123.04418	100.0
133.06491	4.7
137.05957	5.4
138.08098	0.2
147.04405	10.7
147.08040	2.7
165.05495	1.7
165.09102	4.9
165.12729	0.8
169.48497	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	165.1274
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03936	1.4
55.05510	1.0
67.05492	2.8
69.03433	11.8
69.07056	2.8
79.05468	3.1
81.03407	11.9
81.07050	9.7
91.05463	6.3
92.05813	2.8
93.07023	2.2
95.04951	10.4
95.08583	8.8
96.05275	2.0
100.02452	2.0
101.02529	2.2
105.07013	13.2
107.08589	7.7
109.06509	14.6
109.10098	4.7
119.01878	7.6
119.04887	5.6
119.08562	9.2
120.05222	2.5
121.10153	5.0
123.04418	5.6
123.08085	10.2
123.11677	8.5
124.03935	2.0
124.04759	5.9
133.06520	9.7
137.05006	2.2
137.05989	56.9
137.09608	10.8
137.13220	1.8
142.03481	6.6
147.04424	12.6
147.11679	6.6
150.89122	1.6
151.32388	1.4
165.01779	1.7
165.05444	31.6
165.06949	10.8
165.09062	13.4
165.11160	9.6
165.12726	100.0
183.62560	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	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.98365	1.2
54.21978	1.1
55.05496	1.4
57.03425	1.4
57.07064	2.7
61.77034	1.2
65.33982	1.2
67.05507	11.6
69.03423	10.2
69.07058	2.7
71.26716	1.3
75.81390	1.7
79.05515	5.6
81.03396	2.7
81.07059	15.2
83.04971	1.9
91.05467	8.1
93.07049	1.8
95.04963	34.8
95.08611	17.8
101.76952	1.3
103.04613	1.4
105.07039	14.7
107.08591	30.5
109.06520	17.9
109.10155	2.3
117.06998	2.0
119.04927	6.4
119.08566	21.5
121.10130	7.0
123.04417	13.5
123.08049	30.3
123.11689	19.4
133.06502	7.0
137.05966	8.5
137.09590	6.4
137.13223	5.6
147.04427	20.3
147.08043	19.4
147.11705	8.1
148.42500	1.5
163.94464	1.3
165.01729	1.4
165.05452	11.9
165.09117	13.9
165.12732	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	165.1274
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03938	1.3
55.05514	1.5
55.39620	0.9
57.07077	1.7
64.34008	0.9
67.05492	1.9
67.12729	0.9
69.03431	10.5
69.07056	4.6
79.05486	1.7
81.03438	7.4
81.07042	7.4
91.05476	3.9
93.07038	2.0
95.04972	10.8
95.08588	7.5
96.05296	4.2
105.07007	5.2
107.08588	4.9
109.06518	9.4
109.10155	3.9
119.04938	1.3
119.08589	8.1
121.10103	3.8
123.04420	4.3
123.08051	11.9
123.11716	9.9
124.03983	1.3
124.04697	7.7
133.02887	1.5
133.06445	1.3
137.09546	3.0
137.13272	1.8
142.03523	1.8
147.04393	6.1
147.11682	4.9
165.05458	6.2
165.06744	1.1
165.09077	4.6
165.12735	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	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
50.25772	0.6
53.03966	0.6
55.05505	3.9
56.02302	0.7
57.07079	5.3
67.05177	0.9
67.05510	20.4
67.50877	0.7
69.03428	1.4
69.07076	6.1
71.08620	4.0
79.05493	2.5
81.06586	0.8
81.07060	21.3
83.08606	3.7
83.20494	0.7
85.10165	1.6
91.05477	3.8
91.99789	0.7
93.07035	2.7
94.20667	0.6
95.04968	2.9
95.08607	60.4
96.05297	2.7
96.98197	0.7
101.00842	0.6
101.02566	3.0
104.05624	0.6
105.07034	5.7
105.51736	0.6
107.08585	4.4
109.06482	3.3
109.10157	100.0
119.01904	2.5
119.04962	5.5
119.08582	4.1
121.10146	3.1
123.04406	4.8
123.08066	3.1
123.10810	1.3
123.11695	29.7
124.03929	3.4
124.04770	4.3
124.08499	0.8
133.02863	0.7
133.06470	2.8
137.05977	8.1
137.09608	4.9
137.13264	1.1
142.03500	3.0
147.04391	10.5
147.08049	1.6
147.11658	1.4
150.10397	1.6
162.06081	0.6
165.01790	1.2
165.05446	9.9
165.06975	28.6
165.09087	10.1
165.12737	36.5
165.16376	24.6
170.78264	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	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
51.02380	0.2
51.79383	0.1
74.52596	0.1
79.05497	0.3
91.05467	0.2
93.07039	1.1
102.77888	0.2
103.05466	5.3
103.06155	0.2
107.04950	3.2
120.08098	100.0
131.04915	2.8
132.86606	0.1
149.05980	0.8
152.28003	0.2
166.08591	1.6
180.29413	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	166.1226
Annotation	Hordenine
Peak:m/z	Relative Intensity
54.31446	0.3
59.42669	0.3
75.33341	0.3
75.83681	0.4
77.03961	0.4
77.92097	0.4
79.05497	12.7
84.01215	0.5
89.73891	0.4
91.05486	3.2
93.07043	3.3
95.04984	0.4
102.02222	1.9
103.05468	40.9
107.04936	0.5
113.96377	0.7
114.08018	0.4
119.01936	0.4
120.01978	1.9
120.05309	0.6
120.08101	20.5
121.06501	100.0
124.03948	0.4
124.07630	0.5
138.05496	0.5
142.96696	1.3
143.03645	1.8
148.04720	2.1
166.04890	5.2
166.08592	2.4
166.12262	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	167.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03403	0.4
63.73923	0.5
64.55574	0.4
67.45953	0.4
79.33426	0.4
84.01177	1.9
84.99589	7.8
102.00948	3.1
102.02202	3.2
103.00632	58.2
103.01274	3.7
112.62498	0.4
119.01884	0.7
120.01999	3.8
121.01655	80.6
126.02187	24.9
126.02898	0.5
139.01724	0.5
139.02689	9.1
141.39696	0.4
143.03571	2.6
144.03212	100.0
148.20920	0.5
162.04265	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	167.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03403	0.4
63.73923	0.5
64.55574	0.4
67.45953	0.4
79.33426	0.4
84.01177	1.9
84.99589	7.8
102.00948	3.1
102.02202	3.2
103.00632	58.2
103.01274	3.7
112.62498	0.4
119.01884	0.7
120.01999	3.8
121.01655	80.6
126.02187	24.9
126.02898	0.5
139.01724	0.5
139.02689	9.1
141.39696	0.4
143.03571	2.6
144.03212	100.0
148.20920	0.5
162.04265	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	167.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
56.96566	28.3
57.03445	23.8
59.04988	9.5
61.02919	8.2
65.03948	2.0
65.11727	1.9
67.05500	12.2
69.03415	13.9
71.01360	2.6
71.05003	18.9
73.02892	10.8
74.02419	3.8
75.02752	2.0
75.04480	8.1
81.03434	14.8
81.04543	35.9
83.04992	23.9
84.67031	2.0
84.95993	2.3
85.02896	10.2
85.06528	3.7
86.03678	2.6
87.04446	8.3
89.06004	4.3
93.07039	9.8
95.04959	4.8
97.02899	2.7
97.06529	2.0
97.96784	10.5
97.99165	3.4
98.97577	31.8
99.04477	22.0
100.05236	9.7
101.00822	6.6
103.00626	12.0
103.02341	10.3
103.40910	1.9
105.02032	2.1
107.04952	8.8
107.08592	3.9
108.01601	2.6
109.02895	15.7
110.01269	17.6
110.97564	4.6
111.04438	8.4
112.99119	2.5
113.06008	15.6
116.98595	14.3
117.02032	12.2
119.01837	14.4
121.01651	32.2
121.02866	2.5
121.06494	10.2
121.07629	2.1
121.10119	9.6
122.07146	44.4
123.05610	2.3
125.06029	3.4
125.07031	2.1
126.02573	39.7
126.06676	2.3
128.02283	8.4
128.98581	3.5
130.52560	2.6
131.00153	8.3
131.01842	2.7
131.07031	3.8
134.99646	3.1
135.03084	79.0
137.02881	2.5
137.53409	4.4
139.02768	3.2
139.03896	5.1
139.04907	2.5
139.07518	2.6
139.09793	50.7
141.05455	2.2
144.03613	100.0
146.53883	9.6
149.01186	3.6
149.02261	14.8
149.05942	3.3
149.07100	3.7
153.04147	40.8
155.54358	15.4
164.54936	2.5
167.02028	2.5
167.03363	9.7
167.05678	2.6
167.06950	7.8
167.09311	74.0
167.10632	3.4
167.11742	2.9
168.62598	2.1
170.65405	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.67430	1.4
54.25550	1.4
55.01859	3.0
55.05519	58.8
57.03435	2.4
57.07074	2.1
59.04998	9.0
60.28939	1.5
67.05486	11.3
68.44180	1.6
69.03422	17.7
69.07059	11.5
71.04977	3.7
71.71942	1.6
79.05486	3.1
81.07075	12.8
83.04981	100.0
83.08620	40.1
85.06532	10.6
93.07030	16.5
95.08600	9.3
95.75926	1.6
97.06523	7.8
97.10152	11.4
97.26748	1.6
98.50848	1.9
105.07022	2.4
105.86875	1.6
107.04975	3.3
107.08595	44.6
109.06525	3.1
109.10148	26.2
111.08084	34.5
112.08856	9.1
121.06474	3.2
121.10133	24.8
123.11693	16.1
125.09620	15.7
126.05547	1.8
129.64471	1.6
139.07602	2.0
149.05991	2.0
149.09604	7.3
149.13286	11.9
167.03416	13.4
167.07024	15.2
167.08527	23.2
167.10571	6.1
167.14307	72.9
176.29153	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	168.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96636	2.2
70.03653	1.8
152.06177	3.0
153.06958	34.0
163.57402	2.0
167.08534	51.5
168.08084	8.2
168.09329	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	169.0495
Annotation	480-66-0
Peak:m/z	Relative Intensity
54.40779	0.3
66.06547	0.3
67.01851	0.7
67.05496	1.4
68.99780	0.4
79.05471	0.5
81.07041	2.0
83.04957	0.4
83.06479	0.3
85.02906	0.4
85.06532	1.4
92.18410	0.5
93.03461	0.5
93.07003	0.5
95.04948	1.7
95.08578	2.0
107.08588	0.5
109.02882	0.4
109.06507	3.3
109.10149	1.6
111.04432	0.7
111.08064	0.8
122.90762	0.3
123.03565	0.6
123.04425	13.6
123.08039	1.4
123.11680	0.7
123.99621	0.3
127.03886	6.6
141.05412	0.4
141.06998	0.8
146.65294	0.4
151.03902	42.1
151.11169	1.5
154.07758	0.8
169.04948	100.0
169.10043	8.4
169.12248	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	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01858	0.2
55.05497	0.3
60.69477	0.2
67.05511	1.1
68.14404	0.2
68.99796	1.8
69.03420	0.3
70.06605	0.5
71.04974	0.4
71.06909	0.4
78.06047	0.2
79.05483	0.4
81.03428	1.2
81.07043	2.2
83.04974	3.4
85.02920	3.3
85.06554	0.3
91.05479	0.4
93.03398	0.4
93.07050	1.1
95.04974	0.5
95.08617	0.6
97.02911	0.3
98.03665	0.6
99.04465	0.6
105.07063	0.6
107.08598	1.0
109.02876	1.8
109.06525	1.4
109.10146	1.0
111.00799	6.9
111.04432	0.4
111.08079	3.4
117.00360	0.2
123.03580	0.3
123.04414	2.3
123.08071	1.1
123.11707	1.2
125.06071	0.3
126.03130	16.2
127.03898	1.0
127.07535	0.4
133.02907	0.5
141.05464	100.0
149.32796	0.2
151.03918	4.3
151.07579	0.5
151.11177	13.1
169.04951	58.7
169.09927	0.7
169.12267	3.1
169.14149	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	169.0495
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03946	0.3
55.01877	0.5
65.03934	1.7
67.05508	3.6
68.99756	0.4
72.59341	0.3
76.65289	0.3
77.03928	0.9
79.00796	0.4
79.05477	0.4
81.03411	1.8
81.07034	0.7
82.06581	2.0
83.04972	2.0
85.02888	2.1
93.03387	2.0
95.04964	15.7
95.08572	0.7
97.02902	0.4
105.03401	5.6
109.02882	2.5
111.04455	2.8
111.99487	0.3
114.96175	0.4
117.66322	0.4
123.04421	44.5
123.08069	0.6
125.02368	0.5
125.05959	1.3
125.10725	0.4
126.03150	0.6
127.03876	0.7
133.02846	100.0
139.03906	0.6
141.05457	2.2
141.07086	0.5
151.03899	22.8
151.11183	0.5
169.04959	13.9
169.06372	0.8
169.09753	2.9
169.12195	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	169.0858
Annotation	4-Ipomeanol
Peak:m/z	Relative Intensity
65.03945	13.6
67.05499	0.9
79.05495	1.2
80.06293	0.3
81.03431	0.3
81.07057	0.3
85.02898	0.2
91.05478	64.8
93.03400	24.4
93.07056	0.3
95.04965	11.3
95.08582	0.2
97.06516	0.2
105.04527	0.2
105.07033	0.3
107.04951	0.3
107.08611	0.3
108.05746	0.5
109.02893	0.4
109.06604	0.2
110.03666	3.2
111.04437	22.7
111.08048	0.4
119.04936	62.2
123.04418	1.3
123.08049	1.6
123.11729	0.4
125.05988	13.5
133.02859	1.3
136.05197	8.0
137.05962	4.3
141.05473	0.4
141.35857	0.2
151.03944	6.7
151.07535	100.0
154.02655	0.3
169.04964	5.3
169.07362	0.2
183.39185	0.2
184.22778	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	169.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92817	0.6
56.25363	0.6
66.22570	0.6
69.18008	0.6
77.33308	0.6
77.79512	0.7
84.03342	0.7
92.18443	1.0
128.06198	3.0
129.06961	1.2
141.06995	13.7
153.06989	3.9
154.07767	33.3
167.08522	5.2
169.04890	2.9
169.06436	3.3
169.10101	100.0
186.08704	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	169.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91528	0.2
59.06116	0.3
74.81409	0.3
84.08156	0.3
85.07647	0.3
85.27623	0.3
91.05460	0.3
92.39998	0.3
95.01758	0.3
110.07174	0.4
111.09218	2.2
115.05463	0.3
124.08673	0.3
128.06174	1.2
129.06955	1.4
135.22842	0.2
141.06979	10.2
143.08481	0.3
152.06197	0.5
153.07024	2.7
154.07768	25.8
167.08559	9.7
168.09187	0.4
169.04909	1.2
169.10106	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	169.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
55.09686	0.6
56.05019	1.3
57.91576	0.6
58.06600	0.6
59.06123	6.2
59.67999	0.5
68.05018	1.3
69.81143	0.5
70.06575	1.1
72.08119	3.2
73.21825	0.6
83.06077	2.6
84.05605	0.7
84.08146	8.2
85.07621	2.5
86.06040	1.5
86.09709	0.7
91.05471	1.1
94.06531	0.8
97.07625	1.3
98.07168	1.5
101.10681	0.6
109.02802	0.7
109.07619	1.1
109.10126	0.9
110.03210	0.8
110.07139	3.4
111.05556	1.4
111.09200	36.3
112.08685	0.9
113.00017	5.2
113.10756	1.0
113.96385	1.0
114.10237	1.3
123.11710	0.6
124.08665	3.1
125.10674	1.2
126.10236	3.7
127.11009	0.6
128.04320	0.7
128.06213	0.8
128.07080	1.0
128.08162	2.6
128.10704	0.7
128.11826	1.3
129.06996	1.0
133.10077	1.3
141.06955	8.3
142.13338	1.3
151.11169	0.9
152.08139	2.5
152.11787	2.8
153.06924	3.1
154.06581	1.1
154.07767	26.4
167.08546	12.5
169.04892	4.3
169.10071	100.0
169.14424	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	169.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
90.71304	0.3
91.03976	0.3
91.05487	0.4
95.40264	0.3
95.66566	0.3
128.06200	1.4
129.06984	1.9
141.06996	8.2
152.06204	0.7
153.06989	2.9
154.07776	23.3
155.06085	0.3
163.07492	0.3
167.08556	11.2
167.92393	0.3
168.03206	0.4
168.09129	0.4
169.04892	1.2
169.10112	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	169.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45983	0.3
54.70882	0.3
58.27750	0.3
59.81667	0.3
62.41136	0.4
63.37663	0.3
66.54683	0.3
69.95131	0.4
90.04000	0.4
111.09167	0.4
128.06226	0.8
129.06984	0.6
141.06993	12.1
152.06181	0.6
153.06995	2.5
154.07779	25.7
154.09044	0.8
167.08546	6.2
169.06421	3.0
169.10114	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	170.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
57.03426	0.5
68.99771	0.7
71.04672	0.5
76.59306	0.5
81.03425	5.8
85.02900	2.0
87.33541	0.5
91.57314	0.6
101.19657	0.5
109.02879	29.3
110.06016	2.8
115.05450	0.8
123.04399	0.6
124.04763	5.6
124.07587	3.1
127.03899	7.1
128.95082	2.0
129.05489	0.5
129.09138	0.9
137.03461	3.7
142.06508	0.9
142.08607	0.7
146.96138	0.8
152.07005	2.5
155.03381	100.0
170.05734	52.0
170.07887	4.5
170.09470	1.0
170.11749	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	170.06
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39737	0.5
81.07053	0.7
102.16096	0.5
109.97406	0.5
110.06017	0.8
115.05460	13.5
117.40536	0.5
124.07546	0.7
128.95090	2.4
142.06526	19.8
152.07050	2.1
155.03281	0.5
155.56905	0.5
160.07642	1.0
170.05997	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
50.22467	0.1
53.48830	0.1
53.65588	0.1
58.96524	0.2
60.54620	0.1
64.48012	0.1
72.07905	0.1
74.71278	0.1
80.27675	0.1
95.36382	0.2
96.08106	0.3
106.06496	0.2
110.97558	0.3
111.30579	0.2
111.76495	0.2
124.07563	2.5
128.98618	0.3
134.06009	34.2
152.07060	100.0
168.35258	0.2
170.08112	15.0
189.66588	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	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.10072	0.2
55.01867	0.8
55.05516	0.4
56.33974	0.2
57.61032	0.2
58.01838	0.2
59.20927	0.2
62.13276	0.2
65.03951	3.9
67.05506	1.0
68.02640	1.5
68.99791	1.6
69.03432	0.5
69.07069	1.0
71.01342	0.4
74.75154	0.2
79.01849	1.7
79.05479	0.5
81.03422	0.3
81.07064	0.4
83.04986	6.7
84.04503	2.8
91.05454	0.3
93.03406	3.3
93.07036	1.1
95.04988	0.3
95.08625	0.4
96.02106	0.5
97.02889	1.1
97.06551	0.4
107.08617	1.7
107.80896	0.2
109.10197	0.5
110.51692	0.2
111.04441	100.0
113.02396	0.2
121.02864	0.3
121.03996	2.7
125.02380	0.3
125.05941	2.4
125.09636	0.3
130.04991	2.3
133.02846	0.4
135.03369	0.9
135.11705	1.1
139.03905	34.1
140.04684	0.5
143.07094	0.4
143.08586	0.3
153.05479	1.5
153.12737	0.3
156.03987	1.0
156.09341	0.3
157.01358	0.3
157.04993	1.2
171.02950	0.4
171.06529	20.7
171.08099	1.0
171.11632	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
54.18543	0.2
55.01859	0.4
55.05513	0.6
57.03447	0.3
65.03946	3.3
66.96416	0.2
67.05511	0.3
68.02634	1.5
68.73890	0.3
68.99788	1.2
69.03418	1.6
71.04990	0.3
71.15739	0.3
75.66949	0.3
75.80399	0.3
79.01853	1.7
81.03414	0.3
83.04982	7.2
83.43814	0.3
84.04507	6.4
89.07183	0.4
92.17825	0.3
93.03395	3.5
93.07053	0.5
97.02890	1.4
97.06522	0.4
99.00878	0.3
107.08593	0.4
109.06511	0.4
111.04439	100.0
111.08064	0.7
115.05428	1.2
116.05790	0.5
121.02859	0.3
121.03984	2.5
125.06008	3.0
125.09602	0.4
128.06198	0.3
130.05003	3.9
135.76973	0.3
139.03896	37.5
143.04944	0.3
143.06952	2.4
143.08546	0.5
147.96974	0.5
153.05463	1.4
153.09045	0.4
156.03801	1.8
156.09370	0.4
157.04973	1.7
171.02968	0.9
171.04216	1.0
171.06502	29.0
171.08096	1.9
171.11710	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	171.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18543	0.2
55.01859	0.4
55.05513	0.6
57.03447	0.3
65.03946	3.3
66.96416	0.2
67.05511	0.3
68.02634	1.5
68.73890	0.3
68.99788	1.2
69.03418	1.6
71.04990	0.3
71.15739	0.3
75.66949	0.3
75.80399	0.3
79.01853	1.7
81.03414	0.3
83.04982	7.2
83.43814	0.3
84.04507	6.4
89.07183	0.4
92.17825	0.3
93.03395	3.5
93.07053	0.5
97.02890	1.4
97.06522	0.4
99.00878	0.3
107.08593	0.4
109.06511	0.4
111.04439	100.0
111.08064	0.7
115.05428	1.2
116.05790	0.5
121.02859	0.3
121.03984	2.5
125.06008	3.0
125.09602	0.4
128.06198	0.3
130.05003	3.9
135.76973	0.3
139.03896	37.5
143.04944	0.3
143.06952	2.4
143.08546	0.5
147.96974	0.5
153.05463	1.4
153.09045	0.4
156.03801	1.8
156.09370	0.4
157.04973	1.7
171.02968	0.9
171.04216	1.0
171.06502	29.0
171.08096	1.9
171.11710	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	171.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
57.03426	3.9
67.05499	11.3
69.07069	27.6
71.04983	10.6
72.08126	1.9
77.30354	1.9
79.05477	10.1
80.57310	2.0
81.07061	11.7
83.04967	4.3
83.08608	5.2
83.58205	1.9
84.04494	27.6
85.02901	4.7
89.07124	3.0
93.07025	22.5
95.08602	12.7
97.06534	8.3
99.06075	2.1
107.08591	20.9
109.10152	29.8
111.04431	8.6
111.08056	5.0
125.09600	4.8
127.71136	2.3
128.06206	10.3
129.07004	3.1
130.04999	22.8
135.11703	11.8
137.58981	2.1
143.08533	21.9
147.83072	2.1
153.09097	5.0
153.12766	3.8
156.09337	21.4
171.02881	11.0
171.04288	3.5
171.06665	3.8
171.08121	14.3
171.09926	100.0
171.11674	31.1
171.13748	2.5
171.14990	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	171.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02809	0.4
59.39991	0.4
75.49576	0.4
79.05505	0.5
80.15061	0.5
84.04510	5.5
89.07189	0.6
91.05482	0.5
100.63025	0.5
105.07008	0.6
115.05442	2.2
128.06207	8.0
129.07004	9.4
130.05009	3.2
130.07764	0.5
131.08537	0.5
137.00200	0.4
141.06982	4.2
142.07785	5.2
143.08554	32.4
155.06059	0.5
155.08556	2.9
156.09338	61.7
171.08049	12.5
171.11676	100.0
180.20030	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.96416	0.5
68.26634	0.5
70.07094	0.6
71.42995	0.5
72.12178	0.5
91.05492	0.7
92.17844	0.7
105.07012	0.7
115.05461	1.0
128.06221	4.4
129.06996	9.6
134.99304	0.5
141.06940	4.2
142.07762	3.8
143.08562	26.6
155.06104	0.7
155.08545	2.9
156.09340	67.9
171.08080	3.3
171.11679	100.0
179.05435	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.05515	0.5
55.16604	0.3
72.04488	0.5
79.05489	4.1
84.04501	8.5
89.07146	0.6
91.05481	3.4
91.96040	0.4
93.07026	2.2
105.07011	2.7
115.05466	1.9
128.06221	12.2
129.06995	13.6
130.05014	5.4
130.07796	0.7
130.12271	0.7
137.01051	0.5
140.07352	0.4
141.06995	6.5
142.07773	10.2
143.08557	52.6
155.08542	1.9
156.09344	64.1
171.08098	8.4
171.11679	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.78807	0.4
54.63057	0.4
61.46996	0.4
65.61697	0.4
70.10940	0.4
72.08131	0.4
79.05477	0.8
84.04507	9.7
92.90033	0.4
93.49637	0.3
105.07029	0.4
111.61738	0.4
113.10759	0.6
115.05466	0.6
128.06218	4.2
129.07025	5.6
130.05017	6.2
141.06993	4.2
142.07790	3.4
143.08568	23.0
154.09744	0.6
155.08551	2.1
156.09344	66.6
171.08104	3.3
171.11682	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	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
58.67660	0.7
66.56739	0.7
72.85396	0.7
79.05478	1.8
84.04520	9.6
85.80031	0.9
89.07119	1.5
91.05468	1.1
93.07051	1.6
105.07039	1.4
108.07153	0.8
116.69482	0.8
128.06256	9.9
129.06993	11.7
129.70450	0.9
130.05006	7.3
141.06981	6.3
142.07793	7.0
143.08557	49.8
155.08549	1.9
156.09337	63.7
171.08090	7.7
171.11670	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
84.04510	13.6
84.12466	0.6
89.07155	0.9
89.18777	0.5
91.05479	1.1
92.18495	1.9
92.78206	0.5
115.05445	0.9
128.06200	6.4
129.07036	6.2
130.04987	8.5
141.07011	4.5
142.07780	4.3
143.08565	25.5
155.08572	2.6
156.09341	64.8
171.08102	7.9
171.11673	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	171.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27440	0.8
51.50788	0.8
55.05497	1.3
56.19320	0.8
59.06113	1.2
70.06562	1.1
71.06101	1.2
71.47236	0.9
72.04488	2.4
72.08121	1.4
83.06080	1.0
83.08624	1.3
84.04504	52.3
85.07639	3.9
89.07121	4.9
91.05508	1.7
91.19491	0.9
98.81623	1.0
102.05479	1.1
111.09176	6.5
113.10741	5.5
126.10243	1.6
128.06207	1.3
128.11781	1.4
129.06984	14.5
129.11365	1.1
130.04091	1.8
130.04991	36.2
130.09727	1.1
138.84036	1.0
143.08562	19.7
154.09727	1.9
154.13379	3.9
156.09348	8.5
164.06693	1.0
171.02878	2.0
171.11649	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.43711	0.4
55.05503	1.0
55.33742	0.5
56.84960	0.4
57.03428	0.4
58.32841	0.6
67.05505	0.7
72.04523	0.7
79.05514	0.7
84.04507	24.9
88.25129	0.6
89.07149	0.9
91.05457	2.7
105.07015	2.5
115.05430	2.6
117.06987	2.2
119.01794	0.7
128.06210	6.0
129.07004	27.7
130.04999	19.0
130.07779	0.8
131.08473	0.7
131.41402	0.6
134.01376	0.6
140.15007	0.5
141.06978	1.0
141.50571	0.5
142.07797	2.2
143.08554	25.6
156.09331	15.4
171.08047	13.1
171.11678	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	171.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.9
72.04513	75.8
78.27066	0.7
83.08611	20.3
84.04485	3.2
89.07147	96.8
92.94836	0.7
96.03112	0.8
128.06219	1.0
129.07016	2.8
130.04922	2.8
141.06969	0.9
142.07750	0.9
143.08571	7.8
156.09338	17.0
171.07991	3.2
171.11710	26.6
171.14902	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	172.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31480	0.3
57.07081	4.7
60.04532	11.1
74.09702	1.9
77.05287	0.3
86.09710	0.4
96.77013	0.3
100.75806	0.3
112.64426	0.3
116.10728	25.6
130.05896	0.3
130.15916	22.6
157.09718	0.4
172.07474	0.5
172.12001	1.2
172.16954	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.86118	0.5
67.05486	0.7
81.07038	0.6
91.05508	5.3
104.98780	0.6
105.07031	12.5
115.05453	1.1
117.07002	8.2
119.08582	5.5
128.06204	1.2
129.07011	3.7
130.07826	5.1
131.08559	62.9
143.08572	8.6
144.09325	1.4
145.06348	1.1
145.10124	72.9
152.37491	0.7
155.08549	11.1
158.07271	19.7
158.10910	17.7
171.11707	1.2
173.06230	0.7
173.08482	1.9
173.09619	74.9
173.13257	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.79953	0.4
57.91025	0.5
59.54734	0.5
61.37829	0.5
67.05511	0.7
67.72602	0.7
73.33000	0.5
79.05482	0.7
81.07047	4.0
91.05467	3.2
105.07029	5.6
115.05393	0.9
117.07018	5.3
119.08600	5.9
123.49612	0.6
129.06998	2.8
130.07726	0.9
131.08559	58.6
143.08531	4.0
144.09331	3.5
145.06459	0.9
145.10117	25.9
155.08574	2.7
158.07277	5.1
158.10902	17.1
171.11725	0.9
173.05905	1.2
173.09648	18.7
173.13245	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	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74179	0.6
65.43040	0.6
67.05488	1.6
69.07043	0.8
72.93787	1.4
77.64481	0.8
79.05493	0.7
81.07050	5.4
83.08582	0.9
90.08031	0.7
91.05470	3.6
92.30254	0.6
93.06980	0.6
95.08563	0.8
105.07017	5.6
109.10155	3.3
113.05936	0.7
113.96383	3.2
117.06998	2.8
119.08579	6.2
120.02814	0.6
129.07005	3.1
131.08560	66.0
143.08551	3.6
144.09308	3.8
145.10117	22.5
148.21428	0.7
151.47292	0.7
158.10898	17.0
171.11633	1.2
173.05856	0.8
173.09622	4.6
173.13248	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
57.07044	0.6
62.89194	0.4
62.90879	0.3
67.05492	0.8
68.44077	0.3
70.10493	0.4
80.75378	0.4
81.07056	1.8
91.05476	1.7
98.70473	0.4
101.12510	0.4
105.07021	3.1
117.07006	2.4
119.08594	3.7
129.06973	0.6
130.07790	0.6
131.04941	0.8
131.08569	20.5
132.05577	0.5
143.08548	4.0
144.09326	3.3
145.10121	16.1
155.71964	0.4
155.87650	0.4
158.07224	0.9
158.10922	16.0
171.11716	1.7
173.08224	1.2
173.09653	11.4
173.13255	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.59501	0.8
55.93944	0.9
72.93777	1.5
77.18895	0.9
79.05479	1.0
81.07053	5.4
91.05476	4.0
93.07047	1.1
105.07035	7.7
109.10112	1.1
113.75545	0.8
113.96369	4.9
115.05364	1.0
117.07012	9.0
119.08565	3.7
122.77261	0.8
125.19515	0.8
129.06990	2.0
130.07758	1.2
130.91722	0.8
131.08562	100.0
131.92880	0.9
131.97430	1.5
137.13217	0.9
143.08533	4.7
144.09322	3.4
145.06458	3.2
145.10114	27.2
155.08578	1.3
158.07184	1.9
158.10913	13.0
172.82939	0.8
173.04549	1.7
173.05975	6.3
173.09627	18.0
173.13249	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.07089	0.6
57.34449	0.4
60.08008	0.4
67.05512	1.8
69.07068	0.5
71.05002	0.7
75.66476	0.4
79.05483	0.8
81.07059	3.3
81.74924	0.5
85.06532	0.5
91.05466	4.0
95.08598	0.6
99.04485	0.5
99.99830	0.5
104.71796	0.4
105.07030	7.8
109.10156	2.5
113.96407	0.7
115.05406	0.9
116.06283	0.7
117.06992	3.9
119.08572	3.5
129.07001	4.1
130.07790	0.8
131.08556	100.0
133.10081	0.5
143.08578	4.4
144.09296	4.7
145.06502	1.0
145.10110	16.3
149.31487	0.5
155.08505	0.7
158.07198	0.9
158.10910	11.8
171.11664	2.1
173.05937	4.5
173.09618	4.5
173.13237	78.1
194.69411	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	174.1125
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.05504	2.2
56.05036	3.5
57.03434	4.6
58.02939	1.0
58.06592	0.6
59.83854	0.4
60.04527	45.5
67.05508	2.7
68.05019	2.8
69.03429	1.0
69.07059	0.5
70.06591	8.2
70.95863	4.3
71.04984	1.1
72.04511	1.1
72.93774	0.6
73.05285	0.5
74.02412	0.9
74.06065	0.5
75.31736	0.4
79.05470	1.2
81.07052	2.5
81.26107	0.6
81.66863	0.5
82.06593	5.5
83.04978	0.5
84.04503	2.8
84.08155	3.9
85.02885	1.1
85.06546	0.6
86.00649	2.6
86.06058	3.2
87.04458	0.7
91.05485	0.7
93.07058	4.0
93.20776	0.5
94.06548	1.0
95.04955	2.0
96.04459	1.0
96.08113	1.1
97.02877	0.8
98.09692	2.2
98.97554	0.7
100.07605	0.9
102.03745	4.2
106.95129	0.5
108.08089	0.9
110.06030	3.6
110.09673	22.4
111.08052	3.1
111.98459	7.2
112.07599	1.0
112.28325	0.5
114.05515	14.4
114.09158	2.2
115.03934	0.9
116.07077	0.7
117.02058	0.5
120.08094	1.0
121.06530	0.6
122.48728	0.5
126.09120	0.9
128.05298	22.3
128.07048	9.7
128.10703	100.0
130.08636	1.1
132.06503	1.0
132.95830	12.4
138.05525	1.1
138.09109	4.4
142.03485	0.6
142.05045	0.6
146.06209	0.6
146.08089	3.9
150.96881	8.1
155.97394	4.6
156.06630	3.9
156.10178	30.5
173.98427	3.5
174.05817	9.1
174.07614	7.4
174.11243	67.8
174.14761	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	174.1278
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
54.00391	0.3
56.05030	0.6
57.03189	0.4
57.03441	8.1
57.07071	0.4
69.03419	0.4
82.06604	0.4
84.04472	0.5
86.06051	0.5
87.04433	0.4
91.05489	0.5
92.17938	0.6
106.06556	1.9
112.25381	0.4
117.05681	0.4
118.06541	6.9
118.26704	0.4
119.36340	0.4
128.07039	0.5
131.07268	0.7
132.06532	2.2
132.08084	21.2
132.09067	0.7
132.95804	0.4
133.05168	0.4
144.08098	3.7
145.08871	4.1
146.08112	5.6
146.09567	0.8
147.06630	0.4
158.09624	1.8
159.10429	6.6
174.07724	7.9
174.12764	100.0
194.73378	0.5
194.75060	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	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22849	0.4
55.25416	0.5
56.05036	0.6
57.03440	4.9
57.06827	0.6
57.07080	12.3
57.28515	0.4
58.06588	2.7
58.06871	0.4
60.04498	0.4
62.06098	12.0
63.89849	0.4
70.38713	0.5
71.08625	11.7
79.51703	0.4
80.83016	0.5
97.02855	0.6
110.65371	0.5
111.98457	1.1
128.07082	0.6
131.08664	0.6
132.06555	1.1
132.08957	1.7
132.95808	3.2
146.08093	3.1
146.10458	0.6
150.96887	2.7
156.17474	12.1
159.11356	0.5
173.98515	0.6
174.07838	4.1
174.13667	5.5
174.18524	100.0
189.83040	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	175.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49984	0.4
53.88912	0.4
70.19222	0.5
70.95841	2.5
71.95861	0.9
71.96205	0.7
72.93778	1.3
79.63660	0.5
85.01423	4.1
91.05460	0.6
95.34725	0.6
97.02882	4.8
98.03658	3.2
100.02464	2.1
101.00858	6.2
103.02443	11.0
111.04412	2.0
111.98447	3.0
112.98770	4.9
113.00923	0.6
115.02424	6.3
116.01907	5.8
118.03480	2.9
119.01906	23.7
119.08561	2.1
121.03481	4.6
125.02333	2.6
126.19842	0.5
127.02383	1.0
130.99811	1.1
131.01891	3.6
132.95813	8.2
133.03456	52.9
133.96022	11.3
133.97160	0.8
134.02950	12.8
136.04518	1.3
137.02948	5.8
138.00011	0.7
139.02441	0.6
139.03526	2.0
142.01089	1.0
145.03445	15.8
149.50826	1.1
150.96873	8.6
151.04514	13.8
151.05679	0.6
151.93849	0.7
151.97046	10.8
152.04030	0.8
156.97693	5.8
157.01666	0.7
157.02080	0.7
157.03419	8.9
157.04601	10.5
157.10190	0.7
160.02141	0.7
163.04510	3.6
165.98665	0.5
174.98732	5.9
175.04492	100.0
175.05698	5.1
175.14827	1.2
193.05553	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	175.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04782	1.6
56.05955	1.7
56.96569	3.3
60.05381	2.6
60.05654	42.1
64.11594	1.7
64.12076	1.6
65.49770	1.7
68.32912	1.7
70.06595	86.2
72.08155	3.8
79.80967	2.0
97.96802	7.6
98.97592	23.4
101.00896	8.1
103.02439	2.4
103.13627	2.0
104.81329	1.9
110.01822	2.5
112.08729	7.7
114.02661	2.0
115.02438	3.3
116.07089	34.9
116.98563	3.3
118.08636	46.8
119.01933	7.4
130.09781	17.9
131.00185	3.7
132.54124	2.5
133.03476	13.8
140.52078	2.7
154.55412	2.8
157.03473	13.5
158.09244	9.0
175.04468	23.6
175.05783	100.0
175.11888	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.27470	0.3
51.50547	0.3
58.27338	0.3
60.05640	0.3
69.03461	0.3
79.75401	0.3
79.80376	0.3
85.54974	0.3
90.24737	0.4
91.05494	1.4
97.02867	1.4
115.05445	13.3
116.06216	0.7
116.07100	0.3
117.05416	0.3
117.07003	4.8
119.08581	1.5
128.06198	0.5
129.07033	2.4
132.05649	1.5
132.95821	1.3
143.04916	5.7
144.05722	4.3
145.06450	0.4
147.08029	3.7
155.06090	0.6
157.06564	0.6
160.05182	44.1
171.99693	0.4
175.07532	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28362	0.5
60.05656	49.5
70.06594	100.0
70.68507	0.5
71.04971	0.7
72.08154	5.4
84.08147	5.0
92.17922	0.5
96.76946	0.6
97.07647	1.1
98.06055	0.6
112.08738	6.2
112.42707	0.6
114.10262	0.7
115.08692	0.9
116.07091	51.3
119.01905	0.6
122.83008	0.5
130.08684	2.3
130.09752	22.0
133.03432	1.0
142.01152	0.6
150.92220	0.6
157.10825	2.1
158.09239	16.1
160.02290	0.7
175.11897	53.1
175.14394	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
56.96577	4.0
57.03436	0.9
58.06608	0.7
60.05658	49.9
62.37009	0.5
63.92414	0.5
65.61227	0.7
67.37035	0.5
67.87511	0.6
70.06596	100.0
72.08155	6.4
84.08170	1.1
86.03718	0.5
88.36940	0.6
97.02870	1.0
97.96799	3.9
98.06054	0.6
98.97585	0.9
101.00892	1.2
110.97616	1.0
112.07627	0.8
112.08712	5.7
114.10287	0.9
115.08720	1.4
115.97830	1.3
116.07094	49.0
119.01910	2.6
124.84633	0.5
124.99125	0.8
128.98622	0.8
130.08769	1.2
130.09752	21.0
130.96625	0.6
133.03484	3.8
142.01109	0.8
143.00168	0.7
156.98050	0.5
157.03435	0.7
157.10785	2.6
158.08078	1.0
158.09258	14.1
161.03012	1.1
169.45880	0.8
173.39301	0.6
174.99094	1.4
175.04523	3.8
175.11900	48.2
194.98375	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.14004	0.4
53.24334	0.5
55.05516	5.1
57.07093	0.7
58.81971	0.5
67.05489	0.6
68.22915	0.5
69.07072	17.1
79.05480	0.6
81.07039	3.8
83.08611	2.7
91.05462	3.1
93.07046	1.3
95.08588	2.6
105.07027	13.1
107.08595	3.0
113.03052	0.6
117.06997	0.8
119.08572	57.1
121.02865	0.7
121.10126	1.3
131.08603	1.9
132.09308	0.7
133.10118	53.5
145.10114	3.1
147.11671	7.3
158.65820	0.6
160.05202	0.9
160.12460	1.4
173.13240	2.6
175.07568	6.2
175.14810	100.0
175.18875	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	176.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06902	0.2
56.01382	0.2
65.39683	0.2
72.04517	100.0
82.08658	0.2
82.24266	0.2
84.71904	0.2
92.17847	0.4
103.05485	0.4
104.07077	0.3
116.79776	0.2
119.34161	0.2
131.04932	4.0
134.09639	1.8
134.10535	0.2
135.08000	0.3
148.09708	0.5
176.10690	1.0
176.15295	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	176.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87643	0.3
72.04517	100.0
82.99896	0.3
92.00806	0.3
103.05486	0.4
104.70378	0.3
112.64958	0.3
131.04926	3.7
134.09662	2.0
135.40782	0.3
148.09715	0.4
176.10687	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	176.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52247	0.1
56.05038	2.2
56.35016	0.1
56.96561	1.0
57.03435	0.4
57.93556	0.1
68.90119	0.1
69.03414	0.2
70.06593	2.0
71.05004	0.6
72.04522	0.3
74.06081	9.7
75.94606	0.2
81.03413	0.2
81.75751	0.1
85.02878	0.3
86.09702	0.4
87.04494	0.3
88.07635	3.2
98.06102	0.2
98.97582	17.9
102.05605	0.2
104.07109	1.1
109.02819	0.2
112.11264	2.1
116.03402	0.2
116.07096	0.2
116.10717	2.7
116.97240	4.9
116.98608	9.0
117.05466	0.2
117.07327	0.2
119.33492	0.2
126.02592	0.7
130.12274	100.0
131.99525	1.1
134.08112	0.2
134.95934	0.8
134.99644	2.9
135.03091	0.4
140.00185	0.7
144.03621	1.0
146.53743	0.2
148.07547	0.3
148.09676	2.0
150.71381	0.2
152.96904	1.7
153.04172	0.6
157.97496	0.9
158.01277	0.4
158.08115	0.4
158.11797	0.9
175.98488	1.8
176.02328	0.2
176.06911	0.2
176.09230	0.8
176.12805	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	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81032	0.1
56.96576	4.3
62.83839	0.1
71.95274	0.4
78.24690	0.2
86.99288	0.2
88.75626	0.2
91.24612	0.1
93.21945	0.2
98.97585	100.0
99.97916	7.5
113.00883	2.7
116.98617	40.6
117.98943	3.2
121.01624	0.3
131.01898	4.8
134.99654	8.8
135.03180	0.9
136.00021	0.4
136.02438	0.7
140.00192	0.4
141.00502	0.3
143.27328	0.1
145.02853	0.2
149.02898	0.3
153.00697	0.4
154.03456	2.7
158.99655	0.7
177.00764	1.1
177.04121	1.2
177.57222	0.1
180.49622	0.1
189.81845	0.1
195.01688	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
52.57049	0.8
55.01863	1.3
55.05497	0.9
57.03428	1.5
58.66037	1.1
66.58168	0.9
66.62975	0.8
69.03422	2.2
71.73938	0.9
78.94981	0.9
79.05492	11.8
81.03419	4.1
81.07067	1.2
91.05478	53.5
93.06490	1.8
93.07033	27.3
95.04987	1.2
95.08606	3.4
100.46767	0.8
103.05431	1.5
105.07034	22.7
107.04936	5.1
107.08592	31.6
109.02950	1.2
115.05465	2.1
116.06239	13.0
117.07017	2.1
119.04915	2.1
119.08577	14.8
121.06494	4.8
121.10143	28.5
123.08083	1.5
129.07005	13.6
131.08557	90.7
133.06458	4.4
133.07574	1.6
134.07243	1.0
135.08043	5.7
141.42740	0.9
147.08046	11.8
149.05934	1.2
149.09615	43.6
159.08035	26.0
162.06735	6.2
177.09096	100.0
177.12663	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.20179	0.2
56.52785	0.2
64.62689	0.2
66.82304	0.2
67.05511	0.4
69.07067	0.4
79.05466	1.1
81.03410	1.6
81.07032	0.6
86.41524	0.2
91.05492	1.7
93.07055	1.8
95.08583	1.6
103.05455	0.5
105.07003	0.3
106.13673	0.2
107.08599	2.4
109.02895	0.3
109.10162	0.5
115.05415	1.2
116.06200	0.3
117.03357	0.6
117.07007	6.2
119.08613	0.4
121.06490	3.1
121.10129	4.4
122.44759	0.3
131.04849	0.3
131.08542	1.1
133.06473	0.3
133.10091	0.3
134.07240	0.9
135.04344	0.2
135.08034	1.7
135.11676	1.0
144.05716	0.3
145.02855	2.4
145.06496	1.3
147.08081	0.3
149.02306	0.2
149.05933	1.6
149.09613	1.0
149.13292	0.3
159.08031	0.4
159.11656	0.5
162.06741	6.7
163.32765	0.2
172.43442	0.3
177.05708	5.0
177.09090	100.0
177.12599	2.5
177.16383	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
64.28992	2.4
69.03438	3.5
77.35947	2.2
79.05486	5.6
81.03414	15.7
91.05483	19.2
93.07031	25.1
95.08591	2.7
103.05486	4.0
105.07026	16.0
107.04967	2.8
107.08585	22.6
109.72437	2.7
116.06219	4.0
117.03381	5.4
117.07000	16.4
119.08540	3.4
121.06479	13.9
121.10112	23.0
131.04909	3.3
131.08592	35.6
133.06476	4.4
133.10114	6.0
135.04346	2.4
135.08051	38.4
135.11682	3.3
136.02132	2.8
145.02823	14.6
145.06493	3.2
147.07941	2.5
148.47772	2.7
149.02348	10.7
149.05975	28.0
149.09616	34.4
159.08026	23.9
159.11700	11.2
176.45058	2.4
177.05461	56.5
177.09082	100.0
177.12633	19.5
177.16365	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	177.091
Annotation	5,6,7,8-tetrahydro-2-Naphthoic Acid
Peak:m/z	Relative Intensity
57.59749	0.2
67.58852	0.3
69.07066	0.3
79.05496	0.5
79.95378	0.3
81.03405	1.2
81.07046	0.6
82.04263	0.3
83.08565	0.3
91.05473	1.1
93.07040	1.5
95.08618	0.9
105.07038	0.3
107.08604	2.0
108.05560	0.2
115.05463	0.5
115.42886	0.3
116.06239	0.3
117.03331	0.4
117.07001	5.5
118.25700	0.3
119.08553	0.3
121.06507	2.7
121.10126	2.7
131.04936	0.3
131.08537	1.1
133.06519	0.4
133.10182	0.3
134.07285	1.8
135.07965	0.8
135.11688	0.3
144.05675	0.3
145.02811	1.9
145.06416	1.8
149.06003	1.2
149.09642	1.4
159.11664	0.4
162.06735	6.4
177.05788	2.9
177.09096	100.0
177.16296	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.06277	0.8
55.01878	2.1
57.03442	1.4
67.20377	0.9
67.88347	0.9
69.03411	4.7
79.05489	14.1
81.03412	5.2
81.07050	2.4
91.05477	50.7
93.06506	1.5
93.07039	29.3
95.04950	1.6
95.08601	1.0
100.36871	1.1
103.05496	1.2
105.04491	1.0
105.07029	24.6
107.04951	5.8
107.08593	34.2
109.06519	1.1
115.05463	4.0
116.06233	14.4
117.07010	3.7
119.04924	8.7
119.08567	18.5
121.06485	6.0
121.10133	34.3
123.08086	1.1
129.07013	14.5
131.08560	100.0
133.06464	7.6
133.07480	2.2
133.10077	1.1
133.53972	1.0
135.08058	4.3
147.07996	10.4
148.08841	1.1
149.09608	57.9
159.08061	11.2
162.06723	1.4
177.05606	1.2
177.09096	58.6
177.12738	2.2
177.99988	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	177.1274
Annotation	Montiporyne G
Peak:m/z	Relative Intensity
51.37212	0.3
55.01859	0.5
55.05497	0.6
67.05515	3.7
69.07043	0.9
71.04994	3.1
71.98570	0.4
73.11354	0.3
79.05460	2.3
81.03395	1.4
81.07068	4.2
83.04962	0.8
85.06519	2.0
91.05475	4.2
92.18520	0.7
93.07030	5.1
95.04953	3.4
95.08600	51.9
97.06530	3.9
105.07011	6.4
107.04949	0.8
107.08600	5.5
109.02845	0.5
109.06490	3.2
115.05450	0.5
117.07005	9.4
119.08578	6.6
121.06493	3.4
121.10121	5.4
123.08056	0.4
129.07037	0.6
130.07861	0.4
131.04935	0.6
131.08554	11.8
133.10132	4.9
135.08066	4.0
135.11679	3.8
144.09335	4.2
145.02843	0.6
145.06468	0.9
147.07961	0.4
149.05965	1.8
149.09616	1.5
149.13251	3.0
157.10135	2.0
159.11676	100.0
162.06784	2.5
162.10365	0.5
177.01910	0.5
177.05605	3.7
177.06871	0.6
177.09105	39.9
177.12721	46.9
177.16090	1.1
182.02156	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	177.1387
Annotation	1-Benzylpiperazine
Peak:m/z	Relative Intensity
53.02082	0.3
64.54198	0.3
68.99784	0.4
69.03415	0.4
70.06593	3.3
70.97347	0.3
71.03244	0.3
80.05016	2.8
81.03421	8.0
82.06572	1.4
84.08144	47.3
85.02878	0.3
85.03921	0.3
91.05449	0.4
94.06584	0.4
96.97910	0.4
99.04398	0.5
103.05457	1.3
105.06998	0.4
108.08117	16.3
108.08846	0.7
109.02849	1.5
117.03390	0.5
117.07026	1.8
120.08040	0.6
121.02846	0.3
121.06505	0.8
121.10128	0.5
122.09626	0.6
133.06552	0.3
134.09653	7.6
141.03874	0.3
145.02870	1.4
145.06433	2.3
149.02298	0.5
149.05981	7.6
149.09758	0.4
160.11192	4.8
162.03052	2.8
177.05367	12.6
177.06660	3.1
177.09052	4.0
177.13863	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	178.0498
Annotation	Isalexin
Peak:m/z	Relative Intensity
74.49414	0.3
91.05451	0.4
118.06464	0.4
132.08095	0.7
136.03900	1.3
136.07623	0.4
148.86012	0.4
162.09161	0.3
169.04451	0.3
178.04979	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	179.0338
Annotation	NINHYDRIN
Peak:m/z	Relative Intensity
51.02377	0.4
57.03444	0.4
58.51730	0.4
63.05964	0.3
67.05506	0.6
71.08372	0.4
77.03947	1.6
88.03059	0.3
93.80324	0.5
95.04982	2.2
105.03391	10.6
114.50738	0.4
118.25652	0.4
119.04951	0.5
123.04423	4.7
133.02847	100.0
138.21246	0.4
151.03903	20.2
161.02324	18.4
179.03389	42.8
179.08549	6.3
179.10579	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	179.034
Annotation	NINHYDRIN
Peak:m/z	Relative Intensity
53.81618	0.4
55.01873	0.8
55.93530	0.6
65.27462	0.6
67.05511	6.4
77.03922	2.3
79.05486	3.0
81.03421	2.3
81.07059	5.9
83.04973	2.7
83.08591	0.8
87.58189	0.6
91.05473	2.6
92.17931	0.7
93.07052	2.4
95.04948	2.8
95.06107	0.6
95.08614	4.4
97.06504	1.2
105.03383	10.7
105.04463	0.7
105.07050	2.0
119.08566	2.3
119.61897	0.5
123.04458	5.1
128.95093	0.8
133.02852	100.0
133.10123	2.2
137.08255	4.2
151.03908	20.0
153.16267	0.6
161.02339	19.4
161.05981	0.9
161.13281	0.9
161.20096	0.5
179.03397	54.4
179.09367	1.0
179.10701	0.9
179.12880	0.9
179.14258	6.6
191.74771	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	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
50.26097	0.3
51.30343	0.2
55.01870	2.3
60.53589	0.2
65.03946	0.5
67.05498	0.3
69.03426	0.5
69.07059	0.5
75.96805	0.2
76.61514	0.3
79.05480	1.2
81.07056	2.8
89.28069	0.3
91.05478	36.7
93.07039	2.7
95.04953	1.2
95.08581	1.9
105.07021	5.6
107.08578	2.5
109.02864	0.3
109.06544	1.9
109.10172	1.3
117.07040	0.5
119.04936	100.0
119.08567	6.3
121.10126	4.4
123.04436	2.2
123.08030	1.9
123.11736	0.3
125.05961	0.2
133.02814	0.6
133.06493	3.8
133.10114	6.3
135.11687	1.0
137.05969	8.6
137.09627	1.4
138.05505	7.2
147.04404	23.1
151.03928	0.6
151.07550	0.6
151.11180	0.5
160.07555	0.3
161.05952	4.0
161.09595	3.0
161.13240	3.9
161.52365	0.3
179.03374	7.4
179.07016	5.8
179.08575	4.2
179.10680	8.8
179.14229	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	179.0703
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
51.76933	0.7
52.92867	0.6
55.01880	27.4
65.03938	1.3
67.05492	0.9
79.05470	3.1
81.07066	1.0
91.05466	16.0
93.07045	1.5
95.04976	5.3
95.08563	1.1
103.05460	1.8
105.00110	0.8
105.07024	22.7
107.04967	1.4
107.08619	1.7
109.06535	1.6
109.10162	1.3
115.05468	3.3
118.04141	1.0
119.04936	45.0
119.08584	4.4
121.10137	0.8
123.04425	10.5
123.08079	1.3
128.95070	1.5
131.04901	1.0
133.06488	21.4
133.10123	6.8
135.04395	0.9
135.08064	1.3
136.05194	4.2
137.05989	3.0
137.09615	3.0
138.05461	1.0
146.03635	6.7
147.04404	100.0
151.03874	6.7
151.07545	3.6
151.11200	1.2
161.05974	50.4
161.09567	5.8
164.04663	1.7
179.03400	18.2
179.07050	47.8
179.08565	9.2
179.10602	10.3
179.14331	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	179.1066
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
55.89081	0.3
67.05480	0.4
70.09998	0.3
77.42027	0.3
79.05494	3.5
81.03439	0.5
81.07043	1.4
91.05444	2.3
93.07043	1.4
95.04939	0.3
95.08617	0.4
99.34711	0.4
105.07021	3.2
107.08591	8.5
109.06487	1.6
109.10168	2.6
117.07009	1.8
117.36707	0.4
119.04932	3.6
119.08566	1.3
131.08499	0.3
133.06473	0.8
133.10115	2.2
135.08044	100.0
137.06032	0.3
137.08189	0.5
137.09595	2.0
147.04405	0.7
149.09592	0.4
159.91362	0.3
161.06015	0.4
161.09605	3.3
178.07738	2.4
179.03378	0.6
179.07034	0.9
179.08546	27.9
179.10536	4.3
195.68457	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.13498	1.6
51.87903	1.7
55.01862	4.8
55.05505	13.9
55.93522	2.1
56.12494	1.7
63.95166	1.8
67.05510	51.6
68.03244	2.4
69.07053	3.9
79.05493	33.7
81.03413	8.5
81.07067	50.1
83.04551	1.9
83.04990	18.2
83.08614	8.0
91.05489	25.7
93.07054	25.3
95.04992	14.1
95.06104	2.5
95.08599	45.8
97.06532	18.2
105.03382	10.0
105.07022	16.8
107.08584	3.8
107.52220	2.1
109.06471	3.6
109.10162	9.0
111.08056	10.5
113.09597	3.9
119.08581	21.3
121.10132	4.7
123.04456	8.1
128.95088	10.8
133.02849	100.0
133.10132	13.5
135.11670	9.4
137.08217	9.9
147.04373	3.5
151.03893	13.7
151.75616	1.9
161.02316	20.7
161.13255	16.2
179.03401	60.9
179.07040	2.7
179.08545	2.8
179.10745	2.5
179.12845	4.4
179.14290	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64232	2.5
59.63595	2.7
64.28629	3.1
82.01415	2.9
97.99170	3.4
102.00964	4.9
116.01945	6.0
119.01923	2.8
120.02035	20.4
130.12932	2.9
134.03001	18.5
138.96423	14.1
144.03226	2.8
156.97462	79.3
157.03444	10.3
157.04593	12.5
161.98032	12.3
162.04364	3.3
168.48280	6.3
174.98540	25.4
179.99063	100.0
180.04054	5.4
198.00098	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70869	1.5
54.18197	1.4
55.01878	2.4
56.96574	63.2
57.03417	2.7
59.19110	1.4
65.03920	2.7
67.05494	3.5
68.99784	3.8
69.03423	8.5
70.06591	1.8
70.99543	1.8
71.62273	1.5
72.04523	2.1
73.25980	1.5
79.05496	1.8
83.04960	2.4
85.02905	20.7
91.05473	2.7
93.03381	2.5
95.04951	16.2
97.02859	6.7
97.96786	10.1
97.99213	14.7
103.97729	1.7
106.06522	1.9
107.04958	15.3
107.92682	1.9
110.06020	3.1
111.00795	9.7
111.04410	7.9
111.05541	1.9
112.07607	3.4
115.97804	3.6
116.00198	3.5
120.04453	1.8
120.08097	2.4
121.02878	3.1
127.03887	10.7
131.04935	2.8
134.06006	4.2
134.09659	72.4
137.05940	2.1
138.05518	2.7
138.09134	3.2
139.00298	2.0
139.03886	19.7
145.04895	3.2
148.04752	3.8
149.05948	2.7
152.07024	10.4
162.05511	2.1
162.07921	2.4
162.09071	19.9
168.88599	1.8
180.06384	100.0
180.08795	29.2
180.10191	35.5
180.13745	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	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92548	1.0
55.01890	3.6
56.96558	5.6
57.03438	2.4
61.02925	17.6
65.03936	8.0
67.05494	1.4
69.03431	18.6
73.02908	6.7
78.00438	1.1
81.03418	6.2
85.02907	100.0
87.04465	4.7
91.03960	8.8
93.03419	16.7
97.02892	23.6
97.99184	1.6
99.04446	2.7
107.04966	2.3
109.02885	9.1
111.04440	44.5
115.03956	1.4
123.04422	1.6
124.05268	15.9
127.03909	17.7
137.05980	21.9
139.03903	87.8
144.06580	1.8
145.04958	15.7
148.04752	1.3
152.04285	4.6
162.09125	1.7
180.03772	12.0
180.10066	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	180.0867
Annotation	D-Galactosamine
Peak:m/z	Relative Intensity
55.01860	1.8
56.96559	5.6
57.03433	4.4
60.04522	1.3
61.02672	1.2
61.02933	17.6
62.98361	0.9
64.12088	1.0
69.03434	14.5
71.04996	2.0
73.02911	8.0
80.81515	1.1
81.03416	5.0
82.25798	1.0
85.02905	100.0
87.04454	5.8
91.03962	10.7
93.03395	2.4
95.04922	1.1
97.02345	1.4
97.02901	20.2
99.04456	4.9
107.04943	6.9
109.02909	7.7
111.04449	9.0
117.83231	1.2
124.04734	1.7
127.03908	21.1
139.03902	15.5
144.06595	1.5
145.04990	14.3
148.04768	1.5
149.04543	2.2
152.04256	2.0
162.07689	1.8
162.09061	2.7
180.03775	2.7
180.07460	2.2
180.08794	20.4
180.10252	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	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
56.96567	18.0
57.03442	3.2
61.02914	10.3
66.88639	1.6
67.41856	1.5
69.03437	18.0
69.11955	1.4
69.61605	1.4
71.04983	2.1
73.02909	7.9
74.28836	1.8
79.05476	8.4
81.03423	6.4
85.02903	71.5
87.04443	2.3
91.03952	7.0
91.12399	1.6
94.70496	1.5
95.04948	7.2
97.02892	17.8
97.96761	1.6
97.99170	7.5
99.04461	2.5
99.25928	1.6
106.06528	12.6
106.07302	3.5
107.04953	100.0
108.04543	2.3
111.04415	3.1
111.22816	2.0
112.07607	2.5
117.09101	3.6
120.08099	3.3
121.02891	2.3
121.06538	11.6
127.03940	17.4
134.05995	30.2
134.06842	5.2
134.10472	2.2
138.05461	1.8
138.09151	8.7
139.03905	15.9
145.04958	11.5
148.04770	2.6
148.06056	1.6
149.05986	9.7
150.05470	2.3
152.07033	9.6
152.07954	9.0
155.37584	1.6
162.05455	7.3
162.09091	11.6
167.46907	1.6
180.03853	7.2
180.06476	66.0
180.08765	9.3
180.10036	23.0
180.13791	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	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92548	1.0
55.01890	3.6
56.96558	5.6
57.03438	2.4
61.02925	17.6
65.03936	8.0
67.05494	1.4
69.03431	18.6
73.02908	6.7
78.00438	1.1
81.03418	6.2
85.02907	100.0
87.04465	4.7
91.03960	8.8
93.03419	16.7
97.02892	23.6
97.99184	1.6
99.04446	2.7
107.04966	2.3
109.02885	9.1
111.04440	44.5
115.03956	1.4
123.04422	1.6
124.05268	15.9
127.03909	17.7
137.05980	21.9
139.03903	87.8
144.06580	1.8
145.04958	15.7
148.04752	1.3
152.04285	4.6
162.09125	1.7
180.03772	12.0
180.10066	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	180.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13593	0.4
51.66438	0.5
53.03930	0.5
56.05040	0.5
56.96571	13.1
57.03431	0.5
58.31908	0.5
60.05648	0.5
61.02888	0.5
68.05038	0.6
69.03429	1.2
73.02892	0.7
81.03425	0.9
84.08134	1.1
85.02908	10.2
86.03530	0.7
86.19805	0.6
93.03417	0.8
93.04529	0.6
95.04937	2.9
95.06088	4.1
97.02868	2.2
97.03994	0.6
97.96799	0.9
97.99154	1.3
105.96578	0.6
107.02430	3.0
107.04942	3.5
109.03950	0.6
110.06028	0.5
110.07167	4.9
111.04423	2.7
112.07619	0.6
112.08708	0.6
120.05524	0.7
121.02818	0.6
121.03977	0.8
124.04966	3.8
125.03455	4.4
127.03899	1.0
134.06004	2.2
135.04430	1.0
135.06651	10.9
137.04602	0.9
137.08235	0.7
138.05605	0.9
138.06599	7.4
139.03896	6.5
139.05023	0.7
139.06110	6.0
145.04895	1.2
148.04779	0.8
149.04590	14.5
151.06143	12.8
152.04457	1.0
152.05676	6.7
152.06915	1.4
152.09283	7.1
152.10466	0.9
156.07742	0.7
162.05443	2.2
162.07820	0.7
162.09108	2.8
163.03903	15.7
163.06064	7.3
165.06473	5.0
179.08049	0.6
180.03979	3.8
180.08795	100.0
180.10065	3.9
180.13855	3.0
181.07170	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	180.088
Annotation	3,7-Dimethylguanine
Peak:m/z	Relative Intensity
54.17777	0.4
55.53592	0.5
56.96577	4.8
66.25487	0.5
76.63354	0.5
85.02906	1.2
86.03527	0.7
93.04531	0.5
95.04991	0.6
95.06079	2.3
97.99173	0.9
107.02472	4.5
110.03494	0.8
110.07166	4.2
113.04589	1.3
121.03959	0.8
124.05054	3.6
125.03464	3.4
127.03903	0.6
134.05891	0.6
134.09691	2.6
135.06656	9.9
137.04556	0.6
137.08209	0.9
138.05664	0.7
138.06633	6.1
138.09058	0.6
139.03932	4.8
139.04987	0.6
139.06143	5.5
149.04572	13.3
151.06139	12.2
152.05693	6.6
152.06909	0.9
152.09285	6.4
155.83792	0.5
156.07663	0.7
162.07710	0.7
162.09052	0.9
163.06165	7.0
165.06451	5.6
170.50043	0.6
177.48207	0.6
180.08798	100.0
180.10069	3.7
181.07175	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	180.088
Annotation	1,3-Dimethylguanine
Peak:m/z	Relative Intensity
52.48052	0.2
56.96576	0.4
59.70131	0.3
63.22699	0.3
71.06115	0.4
77.20581	0.3
79.05485	2.8
85.02886	0.4
89.03560	0.3
107.04953	37.2
108.76334	0.3
110.03527	6.8
111.04478	0.3
120.08096	0.7
128.04626	0.4
135.03041	2.3
137.08237	3.4
139.03897	5.8
149.05997	2.8
153.04053	2.1
162.07785	0.6
164.14038	0.3
180.08798	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	180.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	52.1
66.43121	0.6
70.97478	0.6
79.05499	8.1
83.67931	0.5
92.70009	0.6
97.99187	14.6
97.99773	1.2
98.06015	0.8
107.04957	100.0
116.00229	3.1
117.22631	0.6
120.08082	3.6
121.35101	0.6
126.78231	0.6
133.12535	0.7
139.03873	1.2
142.92252	0.6
148.04767	0.7
149.05975	8.9
165.07022	2.6
180.06664	1.7
180.08046	3.4
180.09206	1.1
180.10370	1.4
192.02457	0.7
198.43469	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	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.7
60.36391	0.1
65.03941	0.3
74.99625	0.2
85.02895	0.2
91.05462	0.2
93.03383	0.9
93.07014	0.4
95.04952	1.0
96.70318	0.2
97.96819	0.3
97.99169	2.0
103.05464	2.9
106.99180	0.2
107.04971	0.2
110.06021	0.1
111.04430	1.5
116.00214	0.2
120.08094	100.0
121.06498	5.6
122.06930	0.2
123.04469	0.2
127.03841	0.2
131.04953	1.3
134.09593	0.2
135.08067	0.3
137.50710	0.2
138.05469	0.3
139.03889	4.4
148.04703	0.6
152.07062	0.3
162.05508	0.9
162.09145	0.9
163.07512	0.7
180.03841	0.4
180.06364	1.3
180.10097	4.2
181.92572	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	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34182	0.3
56.96563	0.6
64.23550	0.2
70.16238	0.3
71.56345	0.3
79.05495	7.7
81.03440	0.3
85.02892	1.3
95.04971	0.7
105.06989	0.7
107.04953	100.0
107.39934	0.3
110.03500	0.3
120.08096	2.6
134.70236	0.3
135.06639	0.6
139.03873	3.1
145.04964	0.4
149.04745	0.6
149.05954	9.5
151.06206	0.6
152.09332	0.6
162.09116	0.4
180.03735	0.3
180.06502	0.5
180.08807	10.5
180.10233	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	181.0859
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
55.01876	0.5
55.05507	0.4
56.96294	0.5
56.96571	9.2
57.93570	0.8
65.03954	0.4
65.52147	0.4
67.05480	0.6
76.96374	0.4
78.04715	0.7
79.05485	1.8
81.03413	0.5
81.07022	0.8
82.09773	0.4
83.04977	0.8
83.34765	0.4
89.51006	0.4
91.05467	3.0
93.07054	2.9
95.04959	2.2
95.08598	0.6
97.06531	1.6
97.99196	0.4
98.97577	100.0
99.99743	0.4
105.07056	0.5
107.04974	1.5
107.08580	2.8
109.06496	1.8
109.10182	0.4
111.04444	0.8
111.08020	0.5
116.97315	11.1
116.98607	60.7
119.08576	0.4
120.05733	0.7
121.06486	2.5
121.10140	5.5
122.03590	0.7
123.04398	2.0
123.08043	0.7
125.02340	0.5
125.05991	3.0
125.41300	0.4
134.99646	26.1
135.04425	1.7
135.08055	3.1
135.11668	2.1
136.05200	2.4
137.05963	6.6
137.09613	0.4
138.06747	3.6
139.03864	0.8
139.98798	2.4
140.00175	2.5
148.05179	24.9
148.06381	0.8
149.05943	0.8
151.03894	2.7
153.00677	2.5
153.05417	1.6
158.01221	3.0
163.01709	0.4
163.03853	1.8
163.07510	2.0
163.11153	4.6
165.05544	0.6
166.06255	5.8
166.07651	0.7
181.04996	3.1
181.08577	93.5
181.09950	3.6
181.11920	4.5
204.63904	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	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
56.96565	0.4
58.27337	0.1
61.41323	0.1
65.03929	0.1
65.19119	0.1
65.35706	0.1
66.04707	0.1
76.55076	0.1
76.97637	0.1
79.05492	0.5
79.24993	0.1
81.98383	0.1
85.02889	0.2
91.05476	1.2
93.07035	0.2
94.04180	1.7
95.04992	0.2
98.97578	14.3
103.05469	0.2
107.04945	0.7
109.06538	0.2
111.04375	0.1
111.43321	0.1
116.97223	0.6
116.98615	6.5
119.04942	1.9
121.06545	0.1
122.03644	4.7
122.06029	0.1
131.04918	1.0
134.99641	1.8
135.04416	0.6
135.06657	0.1
135.08038	0.3
135.09966	0.2
136.05186	0.2
136.07016	0.2
137.05969	100.0
139.03891	0.1
140.00191	0.2
151.07516	1.3
153.05475	0.1
158.01213	0.2
163.03862	0.7
163.07527	0.6
166.68884	0.1
181.01439	0.1
181.03271	0.2
181.04932	1.1
181.06296	0.1
181.09117	3.2
181.11885	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.05516	10.8
56.96563	11.5
57.07073	6.1
57.93568	2.4
63.31376	1.2
64.97802	1.0
67.05499	4.8
69.91203	1.0
79.05486	1.7
81.07058	4.6
83.04975	6.9
83.50906	1.0
85.06545	1.9
86.84737	0.9
93.07029	13.1
95.08582	9.3
97.06500	1.8
97.99187	1.3
98.97578	100.0
98.99466	1.5
107.08583	17.7
109.06532	4.0
111.04434	55.6
111.08065	4.6
113.05976	1.5
116.97231	26.0
116.98595	37.7
121.06467	3.9
122.07281	1.1
125.05978	26.7
134.99626	10.9
135.08049	15.3
135.11679	13.4
139.98738	7.1
140.00133	1.5
145.10126	13.7
153.06958	1.1
153.12688	1.8
163.11180	13.1
165.06989	4.1
166.07742	9.1
181.06480	3.9
181.10100	28.1
181.12225	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.37881	0.8
56.96556	1.5
57.07078	18.9
57.93558	3.9
58.02938	1.6
59.04984	1.3
59.06107	1.3
68.05054	1.2
71.06110	1.1
77.43828	0.9
79.05474	2.1
81.03403	1.2
81.07040	5.3
82.06597	1.1
83.04978	26.7
83.06087	1.2
85.06474	0.8
85.07585	1.0
93.07055	3.9
93.51427	0.9
95.04969	10.4
95.06062	1.4
97.06508	15.5
97.07637	4.0
98.07169	4.4
98.07793	0.8
98.96171	1.1
98.97583	25.2
99.05553	6.4
105.07005	1.3
107.05001	0.9
107.08586	7.2
111.09261	1.1
112.08712	1.1
116.97216	31.6
116.98564	12.2
117.06972	1.0
119.08595	1.8
121.06462	1.7
121.10145	9.7
122.07148	2.1
123.09211	3.9
124.08685	1.2
125.05986	66.8
134.99641	3.5
135.11687	6.4
136.08664	1.4
138.10208	3.6
139.03880	1.0
139.08656	1.5
139.09750	3.6
139.98778	6.6
140.08154	6.2
140.11880	3.2
145.10118	9.0
151.09808	1.2
158.01111	1.1
163.11162	100.0
164.08208	1.3
164.11850	1.4
181.10760	6.4
181.12206	42.3
181.14474	5.3
192.35066	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	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.82753	0.6
55.05516	0.9
56.05033	1.3
56.96545	1.1
57.03432	0.6
57.06820	1.0
57.07077	18.1
57.93557	3.5
58.02942	1.3
58.06605	1.0
59.04987	1.3
59.06126	1.1
60.76933	0.7
62.26195	0.6
68.05031	1.5
69.03463	0.6
69.04536	0.7
69.07075	0.9
69.46248	0.6
70.06586	3.0
71.39438	0.6
78.24876	0.7
79.05486	3.8
81.03423	2.8
81.07044	3.0
83.04500	1.2
83.04977	25.7
83.06059	1.3
85.07645	0.8
87.09177	0.8
92.18467	0.9
93.07013	3.6
95.04964	8.4
95.06089	2.9
97.06522	15.0
97.07636	3.8
98.07169	4.4
98.09705	1.1
98.96199	1.0
98.97579	15.9
98.98255	1.0
98.98473	1.1
99.05587	8.6
99.09138	0.7
105.07009	1.3
107.04951	0.8
107.08569	6.5
107.22678	0.6
109.07619	1.1
110.07181	1.6
111.09175	0.7
112.08710	1.1
116.97214	42.8
116.98524	9.2
117.07037	1.2
119.08584	1.3
121.06510	1.5
121.07603	0.8
121.10136	9.9
122.07152	4.1
123.05551	0.9
123.09180	5.5
124.08734	2.6
125.05982	71.0
134.99669	5.5
135.08011	1.0
135.11691	5.9
136.08745	1.2
138.06665	0.7
138.10249	4.0
139.07446	0.7
139.08737	1.1
139.09789	3.2
139.11035	0.6
139.98798	10.8
139.99846	1.0
140.08154	9.0
140.11813	3.1
145.10114	9.8
148.96225	0.7
151.09845	0.8
163.11157	100.0
164.08250	1.2
164.10423	0.7
164.11736	4.7
173.89041	0.8
181.10684	4.9
181.12241	38.8
181.14481	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	182.0578
Annotation	Phosphinothricin
Peak:m/z	Relative Intensity
53.97153	0.4
55.83042	0.5
63.97157	0.5
80.95799	0.6
100.11196	1.0
111.04492	0.6
118.19002	0.5
123.04422	0.7
136.07553	5.6
145.76395	0.6
147.04308	0.6
165.05463	0.9
182.05786	100.0
182.08052	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	182.081
Annotation	N-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.70203	0.3
56.96563	0.8
63.00120	0.3
65.99513	0.4
77.50426	0.3
91.05481	100.0
98.97586	3.4
99.97935	1.6
103.05460	2.1
106.06548	2.4
116.98618	2.0
119.04936	10.9
119.05742	0.6
134.99687	0.7
165.05531	0.5
166.07417	0.4
167.08559	6.4
181.06528	0.7
181.10258	0.5
182.04529	0.4
182.07254	1.8
182.10751	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	182.0812
Annotation	DL-o-Tyrosine
Peak:m/z	Relative Intensity
55.89568	0.4
57.41015	0.4
80.12164	0.4
80.63616	0.4
91.05475	100.0
95.20557	0.4
98.97579	2.0
99.97956	0.5
103.05441	2.9
106.06568	0.7
119.04927	10.7
134.59254	0.4
167.08505	0.7
182.08180	0.8
182.10570	0.8
194.71802	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	182.0813
Annotation	N-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
68.11047	0.4
91.05479	100.0
98.97577	3.9
99.97948	1.1
103.05484	2.0
104.57487	0.5
106.06570	1.1
116.97231	1.9
116.98572	0.8
117.98952	0.4
119.04943	11.6
141.05339	0.4
141.63058	0.5
167.08600	1.0
178.75484	0.5
182.00914	3.2
182.08170	0.6
182.10815	3.4
182.12376	0.6
194.27562	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.38681	0.4
56.71003	0.3
59.54726	0.4
61.33720	0.3
67.05485	0.5
76.65460	0.4
77.03922	0.5
79.05492	0.5
81.07057	0.4
91.05457	1.0
92.05830	0.4
93.07035	1.6
93.52483	0.4
94.07383	0.6
95.04970	1.0
98.97559	0.6
108.04498	0.9
108.08161	0.8
108.08920	0.8
122.06100	1.2
122.10450	4.4
126.05482	0.9
136.07573	100.0
140.07045	1.9
141.05429	0.6
154.05051	0.5
154.08670	0.8
164.07042	74.1
164.11507	3.0
182.02895	0.5
182.04446	0.8
182.08131	1.7
182.10716	0.8
182.12581	2.2
186.87466	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	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.88559	0.3
54.04353	0.3
60.01239	0.3
60.28565	0.3
60.41082	0.4
75.47681	0.4
79.13467	0.4
91.05479	33.0
95.04967	4.7
103.05455	0.6
109.06496	0.5
119.04935	28.5
121.06507	1.6
123.04421	42.6
136.07570	100.0
137.05998	0.6
147.04404	17.9
151.34946	0.4
154.07130	0.4
164.05675	2.3
164.06963	0.5
165.05453	26.2
182.06793	0.6
182.08121	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	182.1903
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
52.88236	0.3
53.50741	0.2
55.05522	5.2
56.96554	0.4
59.32383	0.2
72.40795	0.3
80.15678	0.3
83.08620	15.3
98.97561	1.7
99.97913	0.6
100.10591	0.7
100.11251	19.5
116.98604	1.3
117.98909	0.5
136.07581	0.4
139.86900	0.3
141.09113	0.3
164.07002	0.5
167.08487	0.6
182.08211	0.4
182.10721	1.5
182.19031	100.0
202.28845	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	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46908	0.1
75.95934	0.1
82.01440	0.6
82.99837	3.4
87.92694	0.1
88.98075	0.1
100.02475	1.4
101.00879	27.6
111.00438	0.1
118.03535	1.1
119.01911	38.1
124.02444	25.5
127.42176	0.1
130.14728	0.1
136.04575	0.6
137.02957	4.5
142.03493	100.0
160.04538	27.9
165.05096	1.2
178.05595	2.4
183.06197	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	183.0781
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
57.81075	0.1
59.98407	0.1
67.05515	0.2
71.86127	0.1
75.85954	0.1
81.07069	0.2
89.28587	0.1
91.60170	0.1
95.08611	0.2
98.98463	100.0
104.23164	0.1
115.28709	0.1
116.99501	1.1
121.10052	0.2
123.04423	0.1
123.11693	0.3
127.01558	26.5
137.09637	0.2
142.03450	0.1
154.59317	0.1
155.04671	7.1
155.08566	0.8
165.12805	0.2
168.09344	0.8
183.07887	1.5
183.11650	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	183.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98464	1.1
53.03960	2.0
55.01873	5.5
55.05507	2.9
56.96582	2.1
57.03446	1.7
57.26451	1.3
59.05003	3.1
59.84673	1.3
60.96819	1.5
67.05508	33.2
67.90736	1.5
69.03421	3.2
69.07081	2.3
71.04977	3.1
79.05499	84.2
81.03438	1.8
81.07066	18.2
87.85853	1.3
91.05473	35.2
92.18465	1.5
93.07046	29.7
95.04967	68.6
95.08614	28.3
97.06541	6.0
99.04435	5.7
100.97178	2.0
101.00877	2.9
105.03419	3.2
105.04492	2.4
105.07027	8.4
106.81607	1.4
107.04958	20.6
107.08589	11.8
109.02917	1.5
109.06527	7.5
109.10155	88.3
111.04465	3.5
117.06983	1.9
118.96753	18.5
118.99060	1.7
119.01952	14.3
119.08573	52.9
121.06474	2.0
121.10157	6.1
123.04419	42.0
123.08052	23.1
124.02456	3.0
125.05994	27.8
125.65469	1.6
133.02838	2.4
135.08061	3.3
137.02946	2.3
137.06003	8.0
137.09615	70.7
141.05496	2.5
141.98360	2.3
142.03474	35.9
147.08051	17.8
152.08374	5.3
153.09114	5.1
155.08543	3.0
160.04573	8.5
165.05505	1.9
165.09119	19.7
168.09325	5.3
183.06546	6.4
183.08279	4.4
183.10181	100.0
183.11710	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	183.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05503	1.5
56.96561	0.3
57.03422	0.5
57.11717	0.3
60.29516	0.2
66.89104	0.2
67.05518	2.1
67.05790	0.3
69.03420	0.4
69.97439	0.2
71.04980	0.6
75.29019	0.3
76.95972	0.3
77.03882	0.3
79.05499	2.8
81.07076	2.0
82.28033	0.3
83.04991	0.5
85.02885	1.3
85.06544	0.4
90.72365	0.3
91.05487	2.0
93.07079	2.1
94.04171	0.5
95.04946	1.9
95.08622	3.0
97.06511	1.1
98.56322	0.3
99.04446	3.1
101.00867	1.1
103.05470	1.1
105.03373	0.5
105.07027	27.5
107.04984	0.3
107.08627	0.4
109.06504	2.8
109.10150	1.9
111.04444	0.3
118.96741	1.9
119.01925	3.1
119.08575	4.0
121.06548	0.4
122.03645	3.1
123.04419	35.2
123.08045	2.9
124.02407	0.5
124.05247	0.4
124.07616	0.3
125.05963	0.6
127.07483	0.3
133.02821	0.3
133.06482	29.9
137.05972	100.0
137.09555	5.7
141.05452	0.6
141.06956	0.3
141.98418	0.3
142.03488	6.1
142.05791	1.9
147.08060	1.7
155.08600	2.0
160.04543	1.6
165.01917	1.6
165.09090	7.3
168.09369	0.7
183.02856	0.4
183.06564	0.7
183.07999	1.6
183.10146	2.1
183.11691	5.0
188.43716	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	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02383	0.5
52.82515	0.3
55.01874	1.1
55.05505	2.1
77.03912	0.5
79.05495	2.5
94.04192	0.6
95.04961	1.3
95.08564	0.4
103.05479	1.3
105.03399	0.4
105.07024	22.9
109.06531	0.4
109.10140	0.4
111.07503	0.3
119.08559	0.8
122.03606	2.7
123.04417	100.0
124.05128	0.6
133.06485	28.7
135.62128	0.4
137.05969	91.3
147.04449	0.3
147.08038	1.3
165.09099	6.2
183.10234	0.3
183.11697	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	183.1169
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
50.74918	0.7
52.66418	0.7
59.85031	0.8
64.55054	0.7
64.76204	0.8
70.63436	0.8
80.09923	0.8
89.42239	0.8
91.15948	0.8
96.97206	1.0
100.25880	0.9
115.05388	1.0
117.55408	0.8
118.96778	6.5
129.06967	1.0
131.30809	0.9
141.06984	3.3
142.07765	4.4
143.08554	1.1
153.06982	6.6
155.08551	24.6
167.08534	1.4
168.09335	35.2
181.10057	0.9
183.08214	8.6
183.11685	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	183.1169
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
71.34404	1.8
91.05463	4.1
92.05805	3.9
99.62148	1.8
118.96756	18.6
141.06931	2.4
141.98351	3.8
143.08595	2.0
146.35634	1.9
153.06960	2.0
155.08559	13.0
157.44270	1.5
165.06975	1.7
167.08572	3.0
168.09328	38.5
181.10185	3.6
183.08173	2.0
183.11679	100.0
188.04691	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	183.1167
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
52.04855	0.5
56.80449	0.5
58.38878	0.5
70.37753	0.6
74.05505	0.6
90.81723	0.6
91.05472	3.6
99.06757	0.7
105.07029	1.0
141.06967	4.2
142.07777	3.6
143.08557	1.2
152.06190	1.0
153.06941	4.8
155.08546	17.1
165.07018	1.1
167.08589	3.9
168.09332	49.2
181.10101	3.0
183.08110	3.9
183.11685	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	183.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95549	0.6
72.47288	0.6
76.57389	0.7
91.05484	5.3
98.68400	0.7
105.07017	0.8
111.72163	0.7
118.96786	1.4
128.02264	0.7
141.06985	3.8
142.07755	3.9
152.06169	1.4
153.07005	5.3
155.08548	20.5
155.09813	0.7
165.07019	1.0
166.07742	1.1
167.08580	5.8
168.09334	54.4
181.10080	2.8
183.08234	6.9
183.11691	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
118.96724	7.9
141.06984	2.6
142.07759	2.1
153.06973	5.6
155.08543	18.2
166.07570	1.1
167.08519	1.6
168.09338	27.6
181.10104	1.6
183.08122	10.3
183.11690	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	183.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71705	0.7
52.91494	0.9
57.37685	0.9
63.04970	1.0
68.18419	0.9
91.05446	1.3
91.59948	1.0
93.83628	1.1
98.43524	0.9
105.07068	1.6
115.17138	1.0
118.96747	5.5
119.09476	0.9
141.05949	1.2
141.06976	6.8
142.07800	2.2
142.99713	1.1
153.06952	2.4
155.08533	20.6
165.07001	1.1
167.08521	5.9
168.09314	50.9
181.10121	4.1
183.08055	6.6
183.11671	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	183.1169
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
54.57021	0.3
91.40320	0.4
115.13981	0.4
129.07019	0.5
130.99736	0.4
141.06993	10.6
142.07785	5.8
143.08583	2.4
153.06987	5.5
154.07813	0.5
155.08548	26.8
165.06903	0.5
167.08562	1.9
168.09344	25.3
181.10126	4.0
183.11697	100.0
198.69920	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	183.1169
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
55.05506	0.4
59.93105	0.4
69.80398	0.4
72.48615	0.3
89.34869	0.4
91.05461	0.6
97.07607	0.4
98.98437	0.4
105.07027	0.4
112.08738	0.5
115.05462	0.4
118.96764	7.3
124.02467	0.4
124.22029	0.4
124.42931	0.3
128.06209	0.6
129.06999	0.7
129.57346	0.3
141.06964	7.1
141.98305	1.5
142.07779	7.4
143.08557	2.5
144.48099	0.3
146.63098	0.3
152.06090	0.5
153.06973	6.0
154.07758	2.0
155.08546	26.9
163.14574	0.4
164.26773	0.4
165.06940	1.3
166.07709	1.6
167.08557	2.0
168.09329	35.8
181.10114	3.0
183.08220	5.6
183.11684	100.0
203.50084	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
59.93105	2.5
95.08513	1.9
113.76003	1.5
118.96767	18.6
119.01952	1.6
129.07069	1.8
141.06995	3.8
142.07785	3.1
143.08533	2.1
153.06984	10.6
155.08545	23.1
159.88763	1.6
165.06960	2.0
168.09335	33.5
179.75786	1.6
183.08055	18.9
183.11693	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
59.93110	0.4
85.57354	0.3
99.80431	0.3
105.07012	0.4
118.96751	6.1
128.06134	0.4
141.06989	7.4
141.98384	0.6
142.07788	4.4
143.08534	2.2
153.06999	4.9
154.07744	0.7
155.08543	22.1
166.07849	0.5
167.08545	1.9
168.09326	23.7
181.10156	4.2
183.11690	100.0
194.07576	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25758	0.6
56.96562	1.2
63.51118	0.5
82.39788	0.6
82.99829	2.8
101.00883	54.2
101.95057	0.7
101.97182	0.8
102.00954	7.2
106.96572	1.1
119.01914	100.0
120.01994	11.5
124.02429	8.4
124.99129	4.4
125.02588	6.6
137.02968	14.1
138.03067	0.7
142.03496	32.2
143.00154	3.1
143.02007	5.0
143.03632	33.9
160.04504	5.1
161.02948	20.1
161.04649	8.1
179.04048	8.7
179.05598	1.2
184.04587	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03095	0.6
53.22707	0.7
55.86512	0.6
59.22319	0.7
64.67548	0.8
75.02740	0.7
82.99841	3.8
83.99902	1.2
101.00882	53.4
102.00935	12.7
106.17612	0.7
112.83357	0.8
119.01914	100.0
120.01990	15.6
124.02422	5.3
125.02538	10.2
125.31771	0.8
137.02957	13.4
138.03020	0.9
142.03503	30.6
143.01999	5.2
143.03624	51.1
160.04575	3.1
161.02959	17.9
161.04636	10.1
179.04031	9.2
184.04623	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	184.0606
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
51.55350	0.2
56.96597	1.5
57.03449	0.3
60.08192	1.1
65.92655	1.2
80.94971	8.0
83.93687	0.6
86.09718	1.3
95.04975	0.3
96.04520	0.3
98.96040	0.4
101.00897	1.6
101.95055	1.1
101.97212	0.3
103.57485	0.3
104.10743	36.0
106.96577	0.4
110.06040	0.6
119.01913	7.8
119.96133	0.4
120.01978	2.6
120.04507	0.4
121.97568	12.6
122.06055	0.4
123.06832	0.3
124.05889	0.4
124.93879	4.1
124.99110	0.6
125.02497	1.1
128.97823	0.3
136.07570	0.4
137.02989	2.1
138.03081	0.4
138.05473	3.8
138.06375	0.3
138.09129	2.7
142.03470	2.5
142.04990	0.5
142.94937	7.1
143.00169	1.7
143.03610	6.5
148.03929	43.7
148.07527	0.6
156.10194	0.3
160.04572	0.4
160.95996	6.4
161.01215	1.6
161.02962	1.4
161.04707	1.5
165.96529	10.3
166.04985	100.0
166.08617	7.0
179.03963	0.6
180.55769	0.3
183.97580	5.0
184.06216	29.0
184.09671	15.0
184.13231	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	184.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52334	0.4
62.48708	0.4
68.99812	0.4
81.03439	2.0
86.09708	0.8
91.45949	0.4
96.45970	0.4
105.07047	0.7
106.07357	5.6
109.02880	13.1
120.04526	0.5
122.40505	0.4
125.00020	0.8
126.03156	2.3
127.03914	0.7
134.06833	7.9
137.05977	5.4
138.06323	18.0
138.07303	0.8
138.09114	4.6
141.05458	9.4
143.03381	0.8
151.05025	1.8
160.63005	0.4
166.08482	5.0
169.04953	100.0
184.07304	46.4
184.09145	0.5
184.09853	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	184.0735
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.14497	1.8
60.08160	14.7
60.95860	16.4
66.12815	2.0
71.07349	3.2
76.77607	2.2
86.09705	76.8
88.84952	1.8
98.98495	3.5
118.96777	10.0
119.97000	3.4
125.00000	60.3
143.03381	8.2
143.08151	2.0
156.09044	2.3
157.66388	2.1
169.09738	3.1
184.07341	100.0
184.09776	16.9
184.12042	3.3
191.86337	2.2
191.88492	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	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.01661	0.9
55.74607	0.7
60.07905	0.9
60.08169	13.7
60.95864	16.1
71.07344	1.2
86.09702	69.0
98.98439	3.8
101.98488	3.7
104.10756	1.1
118.96752	6.0
119.54983	1.2
119.96810	4.5
122.80265	1.1
124.99110	1.8
125.00002	51.4
141.98192	1.2
143.03387	8.7
177.82442	1.0
184.07333	100.0
184.09953	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.54553	1.0
54.20076	0.8
54.36848	0.9
60.05546	1.0
60.08174	14.5
60.52115	0.8
60.95839	1.3
71.07368	3.8
71.39887	1.0
76.03138	1.0
84.05103	1.1
86.09708	69.7
98.98438	2.2
104.10719	1.5
125.00007	60.5
143.03366	1.6
169.09808	1.6
184.07341	100.0
184.12071	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.18505	0.4
52.99115	0.4
54.93102	0.4
56.96571	0.6
60.07903	0.7
60.08169	13.4
63.28080	0.4
66.16420	0.5
70.06583	3.5
71.04987	0.7
71.07358	3.4
80.94955	1.0
82.99834	0.6
84.04502	0.8
86.09705	70.4
93.01829	0.5
98.98462	5.1
101.00880	6.2
104.10748	4.8
119.01915	10.7
120.02021	0.5
120.08083	2.1
121.97561	0.8
124.93900	0.6
124.99997	54.7
137.02890	0.6
138.05501	0.9
138.09105	0.5
142.03528	1.0
142.04991	0.5
142.94949	0.8
143.00169	1.0
143.01891	10.3
143.03610	2.1
144.03656	0.8
161.02960	8.0
165.96559	1.0
184.07336	100.0
184.09882	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	184.0969
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01869	1.1
57.07084	1.5
60.08158	1.8
67.05506	6.4
69.07064	1.5
70.06593	0.8
71.37543	0.9
81.07055	3.2
85.06548	1.1
86.09702	20.9
95.04958	16.7
96.05353	0.9
96.08120	5.1
101.00809	1.2
110.56333	0.8
111.89736	0.8
112.07548	0.9
113.05984	5.8
115.03104	1.2
119.01891	3.4
120.01959	1.2
120.05252	1.3
121.97557	1.4
122.03185	1.1
124.07578	100.0
125.00013	13.3
128.07082	0.9
138.05391	1.3
138.09120	1.6
138.12790	16.3
142.08618	9.5
143.03419	9.0
156.10284	1.6
160.96024	0.8
161.02902	0.9
165.96359	0.9
166.04939	3.2
166.08644	13.4
174.99989	0.8
184.07338	22.3
184.09700	65.5
184.13266	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	184.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28354	0.4
56.96566	9.2
57.03421	0.9
60.08156	2.8
60.43069	0.5
60.95809	0.5
64.12878	0.5
65.92633	12.2
67.05504	0.7
68.58763	0.6
69.03415	0.6
70.06593	0.9
71.04969	0.6
76.05874	0.6
77.54721	0.6
80.94965	53.4
83.93652	3.0
84.04486	0.9
84.96053	0.9
85.02882	0.9
86.03545	2.6
86.09687	5.1
92.18495	0.6
97.02876	1.0
98.95977	3.8
98.97568	4.1
100.07619	1.0
101.00874	21.8
101.95028	6.8
101.97175	2.3
102.00916	4.4
104.10741	100.0
106.95250	0.7
106.96558	3.8
110.97523	1.2
111.01997	0.9
113.04594	0.7
114.02979	2.6
115.02417	1.3
116.98653	1.0
117.03975	1.2
119.01911	80.9
119.96019	2.3
120.01966	13.3
120.08064	0.9
121.05647	0.7
121.97564	86.3
122.06003	0.6
123.04471	0.6
124.02479	4.2
124.03910	0.8
124.07616	1.0
124.93885	31.2
124.97590	3.1
124.99101	7.9
124.99965	0.9
125.02538	4.0
128.98605	1.0
129.03087	2.7
131.00154	0.7
133.03491	0.9
136.07571	8.3
137.02940	16.6
137.08325	3.2
137.97125	0.9
138.03043	1.4
138.05466	3.0
138.08211	1.7
138.09120	1.1
140.00931	0.7
140.05589	0.9
140.10660	0.8
141.06477	0.8
142.03493	27.5
142.94936	45.3
142.98645	0.7
142.99016	1.0
143.00165	15.9
143.01927	7.3
143.03632	32.4
145.01497	0.6
146.02164	0.6
146.99664	1.1
148.03903	1.0
148.07587	8.1
154.03760	0.7
156.08765	1.2
157.03421	2.7
160.04561	7.1
160.95979	43.3
161.01202	13.2
161.02933	18.2
161.04665	9.0
165.96523	69.9
166.04956	11.5
166.08614	55.5
167.06041	0.6
173.01131	1.0
175.04497	0.9
175.52997	0.6
179.02383	1.5
179.03949	10.9
183.97589	41.0
184.02924	1.3
184.04578	11.4
184.06358	47.4
184.09677	96.8
184.13237	3.0
185.02890	1.3
202.05602	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44079	9.8
51.23788	10.5
51.70567	10.4
60.97981	12.1
68.60641	11.7
69.60838	12.0
87.88919	13.1
93.17633	13.9
103.00650	18.1
107.41507	12.6
120.02010	14.3
121.01669	22.8
121.56582	14.5
144.03197	100.0
147.57996	13.5
152.36017	13.3
180.09924	12.6
181.25981	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	185.0445
Annotation	Fomecin A
Peak:m/z	Relative Intensity
56.96546	0.9
62.23012	0.4
65.03922	0.9
67.05492	0.6
67.21621	0.5
70.06577	0.9
81.03431	3.7
83.04978	0.7
83.55232	0.4
84.08152	4.4
93.03386	0.7
98.97570	0.5
99.04449	0.9
99.40742	0.5
104.95607	0.4
109.02869	9.1
111.04440	0.8
121.01574	0.5
121.02864	11.1
127.12276	2.0
128.14632	0.5
137.02373	4.5
139.03908	4.8
139.08633	1.0
144.03287	0.9
155.03403	9.4
157.03369	0.5
167.03383	100.0
167.08986	2.0
185.04448	71.2
185.09979	7.8
185.12679	4.2
197.99310	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	185.0809
Annotation	4-Hydroxy-3,5-dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
53.03941	0.5
58.26587	0.3
63.39563	0.3
79.05500	3.2
83.77219	0.3
91.05494	4.1
93.07041	5.1
95.04939	2.1
103.05464	1.6
105.04516	0.6
107.04954	27.4
119.04932	0.5
121.00801	0.3
121.06499	10.8
121.10091	0.4
135.04414	33.5
139.07549	1.1
149.05975	1.9
149.07059	0.9
152.04674	14.8
157.05009	0.6
157.10036	0.4
167.07022	100.0
170.10895	0.3
185.04425	0.7
185.05861	0.3
185.09459	0.6
185.13257	1.1
197.59140	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	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.05502	0.3
57.13242	0.3
58.73038	0.3
62.52140	0.3
65.03957	1.4
67.05505	0.7
68.99810	0.3
79.01864	0.5
79.05495	0.4
80.79982	0.3
81.07058	0.5
91.05469	0.4
93.03394	1.9
93.07047	1.7
95.04959	1.4
95.08629	0.4
97.06524	0.4
98.06062	0.4
107.08583	0.7
107.13088	0.3
110.03660	4.9
111.04453	2.8
111.08044	0.4
121.07613	0.5
121.10124	1.6
123.04395	0.4
125.05984	100.0
129.06932	0.4
135.05499	1.4
140.04684	0.4
142.05821	0.3
142.07753	0.6
143.08563	0.8
149.04306	0.3
149.07106	0.6
153.05449	23.7
157.08679	0.3
157.10107	1.6
167.08209	0.7
170.05392	1.9
170.10895	1.6
185.04439	0.5
185.06261	0.8
185.08076	18.6
185.09557	1.9
185.13235	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	185.0809
Annotation	2,3-dimethoxy-5-methylhydroquinone
Peak:m/z	Relative Intensity
51.46400	0.3
55.05498	0.6
55.69317	0.3
55.86900	0.3
57.03444	0.5
57.10083	0.3
65.81337	0.3
67.05465	0.3
69.03415	0.7
69.07062	0.6
71.04948	0.3
74.25927	0.3
79.05477	2.2
79.31628	0.3
80.69636	0.3
81.07063	4.0
83.04955	0.8
85.06525	0.5
91.05441	0.6
93.07011	2.4
95.04923	0.3
95.08589	0.7
97.02887	2.9
97.06515	1.5
99.04385	0.4
102.96859	2.3
107.04969	1.2
107.06069	0.4
107.08561	0.8
109.06515	1.9
111.08074	5.4
120.97946	0.8
121.00778	2.0
121.06464	1.6
121.07584	0.5
121.10130	0.6
123.08066	1.5
125.05984	17.7
125.09612	0.5
128.06195	0.4
128.37015	0.4
129.05464	0.6
129.06978	1.5
130.04591	0.3
137.07071	0.5
139.01796	2.6
139.07532	19.6
141.05458	0.4
141.07018	0.4
141.09070	0.5
142.07777	0.6
143.08560	2.0
144.06604	0.4
149.05994	0.5
149.07074	2.5
149.09599	0.4
157.10115	1.8
160.00780	0.3
162.03450	0.5
167.03345	0.5
167.06956	0.6
167.08218	0.7
170.05721	0.6
170.10889	2.9
185.08081	100.0
185.13274	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	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00325	1.2
53.51601	1.0
55.05526	1.9
55.70700	1.1
59.04994	7.3
63.59836	1.2
67.05495	1.7
69.07080	9.4
70.68064	1.3
71.04992	44.3
71.05383	1.7
74.35598	1.2
79.05489	9.6
81.07061	36.4
83.08665	1.6
85.02906	5.4
85.06538	2.0
91.05479	1.4
92.17886	1.5
93.07039	12.5
93.19958	1.3
95.08596	9.9
97.06532	9.0
101.42970	1.1
102.96842	1.9
104.99261	1.3
105.07037	2.7
107.04951	1.5
107.08596	9.9
109.10113	1.6
111.08068	2.3
121.06464	3.0
121.10136	100.0
123.11700	23.4
125.05971	17.2
125.09624	6.4
127.75641	1.1
128.06198	1.4
129.06975	1.4
139.11192	38.9
142.07791	4.7
143.08566	6.9
149.07101	2.6
149.09630	9.4
156.09358	1.8
157.10139	9.3
161.48839	1.2
167.03391	5.8
167.10693	20.1
167.14398	1.6
170.10899	9.6
185.04448	4.5
185.05867	1.3
185.09608	11.7
185.11716	13.2
185.13275	23.8
200.83929	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	185.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.4
78.42399	1.5
79.05495	2.6
81.07073	1.7
83.11448	1.1
91.05485	10.4
93.07049	33.5
102.96906	1.7
105.07021	10.4
105.52316	1.2
107.08633	1.4
107.26655	1.3
110.21571	1.3
112.56594	1.2
115.05437	2.1
117.07021	3.0
119.08549	3.0
120.96512	1.4
124.74729	1.3
128.06215	11.4
129.07016	24.4
131.08569	2.1
141.07033	5.6
142.07784	18.5
143.08568	48.0
144.09297	1.7
148.83943	1.2
155.08554	7.7
156.09357	20.0
157.10121	45.7
170.10890	36.9
185.06055	1.5
185.09709	10.6
185.13264	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.58380	0.8
55.05500	5.7
61.61549	0.8
68.21368	0.9
68.89445	0.8
79.05472	5.9
79.27341	0.8
86.99481	0.9
91.05469	11.7
92.21243	1.0
93.07038	31.7
102.96874	3.5
105.07005	13.2
107.08575	1.1
115.05447	1.7
117.02995	0.9
117.07059	7.3
119.08566	5.4
121.14075	0.9
128.06223	14.8
129.06993	35.3
131.08542	4.2
141.06975	9.0
142.07756	17.5
143.08549	58.1
144.09326	3.7
145.10170	1.1
155.08566	9.7
156.09328	19.7
157.10106	53.4
167.08517	1.0
170.07251	1.7
170.10909	23.5
176.00792	1.0
185.09683	16.9
185.13251	100.0
186.66075	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	185.1323
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.45551	0.6
55.05517	0.6
63.79182	0.6
67.46904	0.5
69.07045	0.5
76.10865	0.6
80.61428	0.5
85.80569	0.5
91.05473	0.5
93.07012	0.8
98.06036	1.2
102.96851	3.2
105.07027	1.2
120.96492	4.1
120.97861	1.0
121.66486	0.5
128.06194	3.1
129.06999	8.0
133.75212	0.6
137.07109	0.5
138.98842	0.6
141.06967	1.1
142.07774	10.8
143.08534	20.9
144.06509	1.0
144.09271	0.9
149.07100	0.8
155.08542	3.5
156.09337	6.1
157.06570	0.9
157.10120	30.8
157.59789	0.5
167.08334	0.7
169.10181	0.7
170.07150	0.8
170.10886	45.8
181.79790	0.5
185.09641	20.9
185.13237	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	185.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
57.07121	0.9
59.05014	0.8
60.95840	1.3
69.07063	3.8
77.41562	0.9
79.05488	5.6
81.07071	1.1
89.90536	0.9
91.05479	9.8
93.07038	32.1
98.06033	1.3
102.96851	7.3
105.07033	11.8
107.08567	1.8
111.04547	1.0
115.05434	2.3
117.07005	4.8
119.08569	1.9
120.96514	10.6
120.97901	3.9
121.00773	5.2
127.68098	0.9
128.06207	14.5
129.06989	34.4
131.08568	4.2
139.01860	7.0
141.06993	9.5
142.07779	23.1
143.08565	60.9
143.98065	1.4
144.02367	1.4
144.06549	1.0
144.09273	1.1
155.06004	1.0
155.08525	10.3
156.09344	18.4
156.65337	1.0
157.06456	1.2
157.10118	58.7
160.87334	0.9
167.08479	1.8
170.07256	5.6
170.10898	27.0
185.05994	1.4
185.09622	43.4
185.13258	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05495	0.6
55.16377	0.6
55.74643	0.5
57.07133	0.5
78.90710	0.7
79.05493	0.6
93.07050	1.4
102.96877	0.7
105.07044	0.8
119.08541	1.1
120.96530	0.8
128.06187	2.6
129.07004	6.4
141.06987	2.7
142.07773	9.2
143.08549	23.5
144.09395	0.8
149.07135	0.7
155.08546	5.3
156.09348	8.2
157.10117	34.3
170.10895	54.2
185.09673	13.1
185.13254	100.0
202.34758	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
52.69511	0.7
55.05511	6.8
63.73560	0.8
69.07047	1.3
70.06577	0.9
75.05533	0.7
75.09241	0.9
75.31992	0.7
79.05508	6.1
81.07012	1.2
82.36501	0.8
91.05460	11.4
93.07043	35.1
95.04932	1.6
95.08550	0.9
102.96860	1.0
105.07044	14.7
107.08598	1.9
111.09154	1.0
115.05432	1.9
117.07004	3.5
119.08548	3.3
120.96490	4.5
128.06210	15.1
129.06998	37.1
131.08539	6.0
141.06982	8.6
142.07773	18.5
143.08554	53.0
144.06538	1.6
144.09380	2.0
145.05109	0.9
149.07037	1.4
155.08597	9.2
155.09735	1.3
156.09361	19.9
157.10123	52.0
167.08296	1.8
168.11337	1.4
170.07275	1.1
170.10898	17.1
185.09576	12.0
185.13240	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05277	0.4
55.05503	3.5
69.07056	1.2
70.06570	0.5
79.05486	2.2
81.07048	1.9
91.05455	5.3
93.06491	0.9
93.07040	14.3
98.06010	0.7
102.96893	1.0
105.07030	6.7
107.08570	0.8
115.05413	1.3
117.07004	6.2
119.08544	2.1
120.96489	2.2
121.00518	0.7
128.06210	14.7
129.06992	32.6
130.01001	3.6
131.08542	2.6
141.06973	8.8
141.51813	0.8
142.07782	16.3
143.08557	42.6
144.09308	1.2
149.07120	1.0
155.06024	0.5
155.08525	8.2
156.09328	15.9
156.10533	0.9
157.10126	41.7
167.08426	1.3
170.10895	24.8
183.11671	0.8
185.09666	13.6
185.13249	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	185.1324
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.93918	0.8
55.05529	1.4
61.59222	0.8
66.54510	0.9
71.00119	0.9
71.13952	0.8
71.53772	0.8
78.00054	0.8
79.05491	0.9
81.05945	0.9
91.05463	1.5
93.07030	1.3
94.35468	0.9
94.68645	0.8
102.96880	3.6
105.07005	3.4
120.96532	1.2
128.06224	9.0
129.07016	12.7
141.07007	2.1
142.07784	21.4
143.08559	47.7
143.89127	0.8
144.09294	4.0
155.05991	1.4
155.08560	9.3
156.09314	10.7
157.10127	47.8
167.08417	1.7
170.07233	1.5
170.10910	44.2
185.09633	37.4
185.13251	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.73899	0.6
55.05510	1.0
57.03426	1.2
64.87049	0.5
66.40343	0.5
67.05511	1.0
69.03430	0.8
69.07068	6.1
69.75148	0.6
70.83696	0.6
71.04993	1.5
79.05475	4.0
81.07046	3.7
83.04964	1.3
85.02911	1.3
86.09689	1.5
91.05453	0.7
93.07047	5.3
95.04956	0.9
95.08582	3.2
97.06524	2.6
98.97612	4.9
99.04456	0.7
102.96891	1.4
105.07037	3.0
107.06075	0.8
107.08575	4.8
109.02830	0.8
109.06496	1.0
111.08114	2.3
113.06020	1.4
116.98627	1.0
119.06027	1.1
120.97903	1.4
121.00824	1.0
121.02856	0.8
121.06478	0.8
121.07618	1.3
121.10151	7.9
123.11674	1.3
125.02357	1.5
125.05989	1.2
125.09592	4.2
128.06184	4.8
129.06996	4.5
131.08467	0.7
137.07036	1.6
139.01762	0.9
139.07539	1.2
139.11163	4.1
141.06966	2.6
142.07738	7.7
143.08557	26.0
144.08076	2.5
149.07085	3.8
149.09573	2.7
153.04890	0.8
155.08504	4.0
156.09329	10.1
157.06511	1.3
157.10127	35.3
158.99644	7.0
167.03389	5.1
167.06931	2.1
167.08203	1.5
167.10661	3.5
170.10907	37.9
177.00676	1.4
185.04538	6.0
185.07169	3.0
185.09610	6.0
185.13242	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	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25824	0.7
57.03437	1.1
68.78954	0.8
68.85575	0.7
70.10387	0.7
71.04987	1.0
73.87733	0.6
81.03401	1.6
81.68082	0.7
84.04498	1.4
84.08131	3.1
85.02896	3.3
86.06068	0.8
87.44389	0.9
89.74882	0.7
89.96835	0.7
91.27232	0.8
94.06556	0.9
96.04391	0.8
97.00808	0.8
98.06036	1.7
98.09679	1.8
99.04427	2.0
102.24699	0.8
106.91692	0.8
110.57494	0.8
112.07630	1.0
114.05508	4.7
121.00767	4.2
122.05984	1.2
126.05516	5.7
127.03918	1.4
138.05515	0.9
139.01793	3.4
140.07059	4.5
140.14340	100.0
144.06558	0.9
144.94803	0.9
144.95848	1.1
145.04976	1.4
156.06549	1.0
158.08157	1.3
162.95792	1.3
163.01797	23.6
168.06544	1.1
181.02884	22.0
186.05389	0.9
186.07661	9.0
186.09048	1.3
186.11250	5.1
186.14885	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
52.94700	0.7
53.11176	0.7
53.93691	0.7
54.14415	0.8
55.01870	3.7
55.05509	1.5
66.91390	0.9
67.05502	1.9
69.03423	1.6
81.03412	2.3
81.07061	14.7
83.08628	9.4
85.02899	3.4
85.06548	3.9
85.94584	1.6
95.08645	1.1
97.02868	0.9
98.06046	4.1
98.09687	8.9
99.04386	0.9
99.08107	1.4
103.42033	1.0
108.08122	1.1
108.22062	0.9
109.06502	5.4
110.73426	1.0
126.09154	42.8
126.36835	1.0
127.03925	1.7
127.07529	2.0
128.04977	1.1
131.08559	1.9
141.09120	1.6
141.10185	1.6
145.10091	7.3
145.96660	5.8
146.06020	28.0
151.07559	1.1
151.08662	6.3
156.40752	1.1
159.08060	4.0
159.11656	5.2
163.97713	10.1
169.09712	100.0
172.08839	1.7
181.98724	1.6
187.03879	1.9
187.06006	1.5
187.07414	7.9
187.10939	16.9
187.14822	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10961	0.4
55.24269	0.3
57.48450	0.4
66.14409	0.4
66.70403	0.4
67.05495	0.6
87.33667	0.4
91.05462	0.5
95.08572	0.5
98.60582	0.4
105.07001	2.4
117.07025	3.1
117.08759	0.5
119.08577	4.9
128.06177	0.8
129.06969	2.8
130.07745	0.5
131.08566	6.5
143.08499	0.7
144.09331	13.8
145.06506	0.6
145.10127	5.1
157.10117	2.2
159.08017	1.7
159.11682	28.6
169.10074	1.8
172.08794	7.6
187.07726	3.0
187.11166	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16678	0.6
67.27559	0.5
81.07061	0.9
91.05481	1.1
93.07015	0.9
95.08634	0.6
98.55109	0.5
105.07005	2.5
112.52651	0.5
117.07005	4.9
119.08566	6.1
128.06181	0.8
129.07011	3.7
131.08562	8.8
141.07024	0.8
142.07782	0.8
143.08549	2.1
144.09340	11.6
145.06389	0.8
145.10112	11.5
157.10089	2.7
158.10796	0.9
159.08101	3.8
159.11682	33.9
169.10085	3.4
172.08809	10.2
172.12440	1.3
182.96213	0.6
187.07648	6.3
187.11174	100.0
187.14778	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	187.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48568	0.2
55.26191	0.3
56.05037	0.3
59.10658	0.2
62.06082	1.9
69.03430	0.3
72.04523	0.3
75.05598	0.3
81.03375	0.3
81.07043	1.1
85.02905	0.4
85.88171	0.3
85.88747	0.2
87.04459	0.6
91.05468	1.1
97.02867	0.5
113.06055	0.5
116.10707	0.7
117.06604	2.0
118.03743	0.4
118.07401	0.4
119.04930	0.3
121.02794	0.3
123.04369	0.3
131.08556	0.4
137.05966	2.0
141.06993	0.5
169.06387	0.4
169.13402	0.4
170.11729	0.6
187.04041	0.3
187.07530	2.4
187.14409	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.89270	0.3
57.07090	3.5
66.35617	0.3
81.07048	0.6
91.05473	2.3
92.18513	0.9
102.14047	0.4
105.07021	1.8
117.07011	2.2
128.06192	0.5
129.06982	0.8
131.08559	100.0
143.08572	0.5
145.06433	0.5
145.10118	34.0
158.10825	0.5
159.11670	3.3
169.10049	0.6
172.08760	0.6
172.12479	0.7
187.07513	1.7
187.11162	7.6
187.14812	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05511	0.6
67.05511	5.8
69.07063	2.5
76.57794	0.6
79.05485	3.4
81.07036	3.6
83.08591	0.9
91.05461	9.7
92.17880	1.6
93.07030	3.9
95.08574	3.4
98.16607	0.7
105.07011	9.3
107.08575	3.9
117.07008	8.3
119.08554	13.3
121.10132	4.5
122.96401	1.1
130.07841	0.7
131.08554	21.3
133.10092	3.3
143.08545	1.0
145.10114	51.1
159.08017	1.6
159.11681	16.9
169.10089	4.1
172.08821	2.6
181.41489	0.6
187.07570	3.6
187.11186	35.8
187.14799	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
59.06118	4.1
59.60872	2.8
74.04987	3.3
91.05451	7.2
105.07005	5.4
113.00015	7.7
119.08564	4.8
122.96451	4.6
126.48426	3.0
131.08542	28.1
145.10112	49.2
146.05939	4.0
159.11693	16.4
170.12909	5.7
187.07608	5.2
187.09737	5.9
187.11192	18.1
187.14803	100.0
205.17900	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.44047	0.4
52.47989	0.4
57.07059	1.1
67.05486	0.7
68.10821	0.5
81.07041	2.3
91.05482	0.7
95.08630	0.6
105.07062	3.8
117.07010	2.4
119.08572	6.9
126.65180	0.5
128.06235	0.8
129.06966	2.2
130.07761	1.2
131.08556	11.3
133.10132	0.9
134.52055	0.6
143.08546	3.5
144.09386	4.8
145.10123	100.0
157.10135	2.9
158.10904	4.3
159.08038	1.1
159.11696	19.2
169.10097	0.9
172.05174	1.2
172.08818	3.8
172.12489	4.8
187.07579	8.5
187.11195	39.7
187.14810	73.3
191.94405	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	188.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15799	0.2
65.03918	0.3
69.03405	0.3
73.05302	0.4
83.04989	0.2
84.04491	0.3
85.01125	1.1
86.06051	0.3
100.07599	0.3
103.02141	0.3
107.94609	0.2
112.02180	1.4
112.07567	0.3
119.04911	1.7
128.07069	0.6
140.01616	1.9
142.08607	1.0
142.12247	1.7
147.04382	4.3
158.02658	0.5
160.09630	1.2
170.02684	6.5
188.03754	100.0
188.09212	1.8
188.14853	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.23899	0.7
57.94160	0.8
58.06606	6.2
62.06077	3.7
67.05487	1.3
72.08138	1.6
84.04487	5.8
87.12366	0.8
89.28844	0.8
110.80555	0.9
115.05420	6.4
117.07014	1.9
118.06538	34.7
127.11201	1.0
134.10464	1.0
139.85515	0.7
141.36444	0.8
142.06506	18.9
143.07268	5.2
144.08078	23.1
146.06004	99.2
146.10349	1.1
147.04372	1.7
152.11513	1.0
160.09676	1.9
170.06000	100.0
188.07028	79.9
188.08884	3.0
188.10670	1.6
188.16428	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.78180	0.4
58.29290	0.4
66.11540	0.4
66.91855	0.4
76.44956	0.5
77.11866	0.4
91.05494	0.9
97.27661	0.4
115.05477	0.7
117.06998	1.8
118.06538	34.5
123.47919	0.4
133.06395	0.4
142.06540	3.7
143.07318	4.8
144.04410	0.8
144.08081	21.2
146.05998	100.0
151.19574	0.5
160.07622	1.0
167.55254	0.5
170.06000	8.4
188.07045	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
61.77485	0.8
74.05455	0.8
75.46255	0.9
77.45123	0.8
82.36486	0.9
88.96285	0.8
91.05472	10.1
95.08569	1.2
105.07001	4.1
107.04932	2.1
115.05482	1.0
119.04901	3.8
119.08577	3.7
121.06456	3.6
128.06204	4.2
129.06992	13.8
130.07736	1.2
131.04922	3.7
131.08572	4.8
133.06482	1.8
133.10123	4.3
142.10289	0.8
143.08467	1.3
144.05722	1.0
145.06544	1.3
146.07236	9.2
147.08038	1.6
147.11615	1.4
148.05173	12.0
156.09267	1.0
157.06479	5.5
159.08109	1.1
161.04628	1.7
161.05972	53.0
161.09598	61.2
171.08018	1.1
171.11736	1.4
174.06706	12.1
175.35406	1.0
189.05484	3.8
189.09090	100.0
189.12628	8.4
189.16365	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	189.1236
Annotation	gamma-glutamyl-isopropylamide
Peak:m/z	Relative Intensity
56.96566	3.2
60.08171	88.7
65.51777	0.7
65.83633	0.7
69.03435	1.4
70.06577	1.0
83.06102	3.2
84.04508	100.0
85.02895	4.1
86.09701	3.9
98.87484	0.7
98.97578	3.5
102.05535	4.4
106.96528	1.6
111.04430	1.1
126.09110	1.4
129.06578	0.9
130.05002	70.6
133.10196	0.9
143.11801	29.0
147.96904	3.3
161.10049	1.0
171.11537	1.0
172.09680	89.3
179.22166	0.8
189.09178	1.3
189.12355	20.4
199.37680	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23196	0.9
55.01860	2.5
55.05498	1.3
57.00372	0.9
57.26619	0.9
59.99195	1.0
67.05486	7.4
69.07038	2.1
71.94455	0.9
79.05489	5.8
81.07056	2.6
91.05475	40.6
92.17892	1.1
93.07071	8.1
93.36008	1.1
94.93416	1.0
95.04957	1.6
95.08603	1.3
96.39659	1.2
97.06494	1.4
105.07028	17.5
107.04937	2.0
115.72758	1.0
117.07021	5.9
119.04974	1.5
119.08562	9.3
121.06468	2.2
129.07005	20.5
130.07768	1.2
131.08583	1.5
133.06523	1.3
133.10129	13.7
136.23291	1.1
138.37016	1.1
143.08556	13.2
145.10117	22.2
147.08044	5.9
147.11626	8.7
156.09283	1.1
161.09619	6.1
161.13266	9.7
171.11668	43.2
189.06995	5.6
189.09117	7.1
189.12735	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
67.05499	1.2
69.03434	1.2
69.07063	1.8
79.05491	2.1
81.03420	11.9
81.07059	10.2
83.04980	4.2
91.05479	4.3
93.07037	4.3
95.04988	9.2
95.08607	14.2
98.51215	0.8
105.07029	19.2
106.90479	2.1
107.08604	12.1
109.06504	5.0
117.07020	1.3
119.04918	2.2
119.08594	17.2
121.06477	0.9
121.10167	2.2
123.02615	1.0
129.06967	2.3
131.08524	5.0
133.06497	19.7
133.10130	19.4
134.07263	1.1
135.76189	1.0
143.08568	4.6
145.10109	5.6
147.08049	19.4
147.11655	10.2
148.08743	1.6
156.09315	6.8
157.07738	1.0
159.11656	2.0
161.09596	3.8
161.13277	12.0
171.11646	12.7
174.10390	6.3
175.59372	1.0
189.07101	1.6
189.09120	4.6
189.12738	100.0
189.16396	15.1
198.07986	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.83015	0.6
58.80427	0.6
69.03423	1.2
69.07056	1.0
75.61879	0.8
78.99632	0.8
79.05489	1.4
81.03418	10.4
81.07058	7.5
83.04960	1.6
85.97063	0.8
91.05473	1.9
93.07030	4.1
95.04942	8.3
95.08596	8.3
105.07019	13.4
106.90478	4.2
107.04961	1.0
107.06080	1.6
107.08590	15.4
109.06499	4.9
110.49746	0.8
119.08574	13.7
120.14917	0.8
121.06469	1.2
121.10130	1.5
129.06952	1.9
131.08530	1.6
133.06493	17.4
133.10129	18.1
143.08530	5.3
145.10098	5.7
147.08034	11.2
147.11710	6.1
148.06053	0.8
148.08664	3.2
149.09500	0.9
156.09344	9.8
159.07864	1.0
159.11720	1.5
161.09589	3.6
161.13254	11.6
171.11684	15.8
174.10349	5.8
189.06990	1.6
189.11406	4.7
189.12740	100.0
189.16341	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
55.12093	0.7
67.05489	1.0
69.03423	1.7
69.07069	1.9
70.33753	0.7
71.06371	0.9
81.03413	10.7
81.07050	8.4
83.04977	1.8
86.58691	0.8
91.05467	3.6
93.07024	4.7
95.04955	7.9
95.08595	9.8
105.07027	13.4
107.04920	1.1
107.08579	15.5
109.06495	5.1
117.07072	0.9
119.04939	1.6
119.08567	16.8
121.06447	1.1
121.10107	3.6
129.06993	2.0
131.08551	3.6
133.06491	18.9
133.10115	18.3
141.07024	0.9
143.08565	4.2
145.10114	4.6
147.08026	11.7
147.11668	8.4
156.09332	9.9
159.08023	1.6
159.11711	1.8
161.09563	2.1
161.13220	14.0
171.11656	15.3
174.10382	9.6
189.12732	100.0
189.16328	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.2
56.98590	1.6
69.03419	3.7
81.07047	1.5
83.04990	2.2
85.91383	1.4
91.05477	3.8
93.07022	1.9
95.04961	1.7
97.06582	1.9
99.57308	1.6
103.84130	1.4
105.07029	13.2
107.08570	1.6
117.07011	2.1
119.08571	24.0
128.06145	2.2
130.04977	2.1
131.08556	8.1
133.10126	11.1
143.04890	1.7
143.08533	11.2
145.06425	1.5
145.10107	12.8
147.08028	15.1
147.11691	16.1
147.96837	2.2
156.09328	17.5
159.08066	3.1
159.11633	3.4
160.08846	2.7
161.05945	3.8
161.09608	11.0
161.13168	11.2
171.11676	35.9
172.03871	6.9
174.10390	14.8
189.05409	10.3
189.06831	4.7
189.09097	19.8
189.12726	100.0
189.16357	2.9
190.04980	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69918	0.7
67.05499	1.0
69.03420	2.0
69.07056	0.8
76.34498	0.8
76.66978	0.8
81.07035	1.6
83.04971	1.0
91.05437	3.6
95.08577	1.6
97.10201	0.9
105.07033	10.7
106.08519	1.0
107.08578	4.9
115.05473	1.0
117.07005	1.2
119.08572	18.5
121.10066	1.0
128.06197	1.3
129.07021	4.3
131.08553	3.6
133.06473	1.5
133.10106	10.4
143.08549	7.1
145.10114	13.3
147.08043	7.4
147.11693	15.3
155.08487	1.2
156.09329	30.1
159.08061	1.9
159.11682	9.6
160.08742	1.6
161.05986	3.4
161.09630	10.0
161.13213	4.8
171.11668	54.1
174.06728	4.0
174.10406	8.9
189.05412	3.7
189.09102	21.7
189.12723	100.0
189.16356	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05513	3.4
56.71924	1.1
67.05515	1.4
69.07076	11.7
69.70201	1.2
79.05483	6.0
80.82294	1.6
81.07060	10.2
83.08582	2.0
91.05486	25.0
93.07043	11.0
95.08600	20.7
105.07033	50.4
106.90520	1.6
107.08588	13.4
109.10150	5.7
113.06457	1.4
117.07008	2.2
119.08575	100.0
119.09428	3.5
121.10107	2.8
131.08546	6.3
133.10120	59.2
143.08551	3.1
145.10104	2.9
147.08058	9.6
147.11678	25.7
156.09288	2.1
160.12509	1.6
161.09627	7.4
161.13281	11.7
166.74202	1.6
171.11668	3.1
174.10365	6.2
189.05379	3.0
189.07065	5.8
189.09084	17.0
189.12755	46.1
189.16368	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
58.06610	0.8
75.04472	0.3
89.03924	0.5
90.42753	0.4
102.05546	1.7
116.04988	0.6
118.98874	0.4
125.32513	0.3
125.58906	0.4
130.96364	0.4
131.00198	0.4
131.04942	0.3
133.45609	0.4
144.04475	0.5
149.02344	5.9
162.05501	100.0
172.03918	0.6
174.67734	0.4
190.04994	47.5
190.08620	1.6
190.10760	1.6
190.12251	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	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
57.06821	0.7
57.07081	16.2
59.99105	2.1
76.61564	0.5
78.00152	23.3
84.08125	0.5
86.09693	8.2
92.01660	0.7
116.05244	0.8
121.02925	0.5
134.06345	40.9
145.40933	0.5
148.07915	2.8
149.02333	6.3
149.06018	0.5
166.70447	0.5
190.12592	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	190.144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
58.06607	16.8
59.04998	0.5
60.08167	0.9
60.55560	0.3
61.08492	0.6
65.03936	0.4
68.05031	0.4
69.07071	8.3
69.35645	0.4
70.06607	3.3
71.26960	0.4
72.79737	0.4
76.07645	0.4
84.04514	0.9
84.08151	2.0
86.01687	0.3
86.06054	0.6
86.09708	7.6
87.04408	0.5
98.09718	0.5
98.97585	2.1
102.05535	1.8
109.98943	0.6
112.07613	0.8
116.98614	0.6
126.12791	25.7
128.07150	0.7
128.10640	0.4
129.97922	0.4
130.04962	0.5
130.08638	0.6
130.96335	1.8
131.05247	0.6
134.99643	0.4
144.13838	100.0
148.97375	1.7
149.01299	0.6
149.02293	3.7
153.98001	1.3
153.99158	0.4
154.08672	0.4
158.12973	0.4
162.11249	0.8
169.92894	0.4
172.09703	0.9
172.13309	3.7
173.10107	0.8
190.05038	0.9
190.07117	1.6
190.08742	0.5
190.10814	5.3
190.12643	0.6
190.14372	16.0
190.16023	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	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20221	0.8
58.06609	5.7
61.48005	0.8
69.07062	1.8
70.06593	18.0
84.08139	3.9
85.85329	0.8
86.09705	7.8
93.18576	0.7
102.05536	3.6
112.31850	0.9
116.07099	6.5
117.45986	0.8
126.09096	0.8
126.12786	35.7
130.96275	1.4
131.04904	0.9
139.45630	0.7
144.13834	100.0
148.97356	1.2
149.02390	7.7
153.97827	1.8
159.06836	1.3
162.05511	1.0
162.11208	1.2
172.09747	1.2
172.13353	4.9
190.05005	4.6
190.08669	4.3
190.10863	2.9
190.14375	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66082	0.5
55.05515	3.0
56.05037	0.8
57.03447	2.0
57.07058	0.9
58.06606	3.5
58.22489	0.4
59.05022	0.5
60.76883	0.4
62.46315	0.4
65.56465	0.5
67.05508	18.9
69.03421	2.7
69.07069	39.2
70.06587	7.9
71.04984	2.2
72.04530	0.7
79.05479	1.2
81.03410	0.8
81.07072	4.6
81.21249	0.5
83.08660	0.5
84.04502	0.6
84.08136	3.2
86.06066	2.4
86.09698	3.0
87.10040	3.5
90.94750	0.5
91.05459	1.9
91.36169	0.5
93.07011	4.6
94.06568	1.8
95.04967	0.8
95.08600	30.0
97.06528	2.8
98.09682	1.9
99.04475	1.0
100.21398	0.5
102.05537	2.8
103.05521	1.1
108.08085	0.7
109.06514	0.6
109.10153	100.0
111.11713	15.7
112.07589	1.0
113.05989	0.7
113.09669	0.6
119.08575	6.6
126.12773	3.1
130.08632	2.4
131.04941	4.4
131.41919	0.6
132.10275	0.5
133.10524	2.3
136.11195	6.5
137.09613	29.5
148.97357	0.9
149.02333	2.5
154.12263	50.8
155.10675	7.1
164.83585	0.6
172.02702	0.7
172.09717	1.8
172.13310	65.7
173.11748	1.2
190.05006	2.9
190.06995	0.8
190.08699	2.7
190.10739	3.0
190.14374	31.7
191.94635	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	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
52.28107	0.5
55.01873	2.4
57.03428	3.8
59.52382	0.6
68.99773	3.0
71.01348	0.7
79.05489	2.6
81.07056	0.9
81.53016	0.6
91.05461	2.8
92.18481	1.0
93.07072	2.1
95.04955	4.2
95.08575	1.4
103.05409	0.8
105.07009	3.5
107.04949	3.5
107.08541	2.7
115.05452	2.4
117.07021	6.0
117.73216	0.6
121.06509	10.7
125.67721	0.6
135.04451	4.8
135.08055	8.2
145.06531	6.2
148.05176	0.9
149.06015	6.0
151.03922	2.7
163.07526	24.4
164.07944	0.7
173.05942	7.5
176.04698	1.0
191.07028	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	191.0702
Annotation	7-Ethoxycoumarin
Peak:m/z	Relative Intensity
55.01869	2.4
57.03433	3.3
63.29434	0.5
67.05494	1.2
68.99781	6.2
70.50508	0.6
71.52950	0.5
79.05501	6.6
81.07040	1.1
91.05479	5.4
92.18412	0.8
93.07020	2.5
95.04969	5.0
95.08588	2.3
97.94009	0.6
105.07033	4.1
107.04948	8.1
107.08569	2.7
109.06411	0.6
115.05412	1.4
117.07008	8.4
119.04942	3.3
121.02851	7.4
121.06493	11.3
123.04379	1.1
131.08563	3.6
135.04413	11.9
135.08055	9.6
137.02361	0.6
145.02846	0.9
145.06512	6.1
145.10133	1.3
149.02357	2.5
149.05962	6.0
151.03879	0.9
159.08005	1.0
160.24879	0.6
163.03888	17.6
163.07521	21.9
167.03397	16.5
169.64331	0.6
173.05949	7.1
173.13268	0.8
176.04660	1.2
191.03398	33.0
191.07025	100.0
191.10696	3.7
191.14272	3.2
197.48816	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05236	1.5
60.39562	1.6
67.05489	3.0
69.03423	13.5
69.07063	10.1
79.05490	3.4
81.07047	20.6
83.04971	9.5
83.08604	3.0
91.05475	6.9
93.07040	16.5
95.04910	2.1
95.08585	13.9
97.06532	7.6
105.07041	20.3
107.08586	39.3
109.06538	3.6
109.10160	2.2
119.08550	9.7
121.06499	16.2
121.10137	28.7
123.08056	7.8
131.08563	20.9
133.10123	48.6
135.08075	14.5
135.11691	4.2
137.09592	2.6
145.10085	13.6
147.11705	19.8
149.09615	34.5
149.13237	19.4
158.10922	9.7
163.14807	9.8
169.17430	2.3
173.13239	41.5
191.14302	100.0
211.35770	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.70897	1.8
55.05506	3.8
55.10302	1.8
67.05504	4.2
69.07064	3.4
71.04980	2.9
72.09866	1.6
75.62140	1.9
79.05486	4.2
81.07064	43.4
83.04978	4.1
85.06549	12.4
91.05484	16.3
91.05965	1.8
93.07046	20.4
95.04971	2.7
95.08602	19.9
97.06522	4.4
99.08115	2.2
105.07031	76.0
107.08595	37.0
109.06499	4.7
109.10155	4.2
111.08069	3.2
117.07016	4.4
119.08553	21.8
121.06534	4.7
121.10153	26.4
123.08056	4.7
129.06987	2.1
131.08563	100.0
133.10124	99.3
135.08034	11.9
135.11681	2.5
143.08568	2.5
145.10135	29.5
147.11679	34.6
149.09648	8.4
149.13258	21.4
158.10915	4.8
161.13264	11.1
163.11180	3.6
163.14828	22.7
171.11703	2.4
173.13249	72.2
191.12532	3.1
191.14302	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.04284	1.6
53.19226	1.7
55.05507	2.7
57.03429	3.9
60.61817	1.6
67.05488	7.9
69.03394	2.8
69.07075	12.7
71.04992	8.7
71.55522	2.0
79.05477	8.3
81.07057	16.3
83.04967	2.6
83.08591	2.3
84.83893	1.8
85.06527	3.1
91.05463	11.8
93.07027	15.3
95.04961	4.0
95.08601	12.5
97.06502	11.0
103.05478	3.1
105.07040	38.7
107.04897	2.1
107.08599	29.1
108.90445	3.3
109.06505	11.8
109.10155	18.5
111.02599	1.7
115.05429	1.9
117.07066	5.4
119.08576	21.6
121.06497	7.3
121.10125	29.2
123.08031	7.1
123.11650	4.0
131.04900	3.8
131.08553	52.3
133.10115	89.6
135.08075	25.0
135.11665	10.9
143.08536	4.1
144.09320	2.8
145.06464	2.4
145.10112	30.0
147.08014	1.9
147.11693	33.7
149.09595	10.9
149.13216	15.9
150.02773	2.6
150.10327	2.8
158.10959	13.3
159.08006	2.5
163.03841	2.6
163.07506	9.2
163.11208	6.7
163.14809	9.3
173.09554	3.4
173.13231	57.2
191.03334	3.6
191.07031	28.9
191.08731	3.8
191.10649	26.7
191.14299	100.0
191.17949	4.1
211.05663	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.03431	1.2
57.07069	1.0
57.42070	0.9
58.33257	0.9
61.40092	0.8
64.76550	0.8
67.05490	1.7
67.82260	0.8
68.45552	0.8
69.03431	12.8
69.07057	4.8
69.83940	0.9
70.53657	0.8
79.05487	6.2
81.07053	9.7
83.04966	2.2
83.08576	0.9
91.05480	2.2
93.07039	4.6
95.08620	3.4
105.07005	7.2
107.04951	5.0
107.08597	24.6
109.06479	1.5
109.10152	10.2
119.08614	1.3
121.06506	2.1
121.10134	17.4
122.07251	1.1
123.08071	3.7
131.08546	10.2
133.10126	100.0
135.08034	10.0
135.11699	3.4
137.09608	14.9
145.10110	5.0
147.11687	4.3
148.53531	0.9
149.09618	5.3
149.13251	17.4
158.10893	3.7
159.27792	1.1
163.14815	4.6
173.13249	24.1
191.14302	47.8
207.64787	0.9
211.82730	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.0
59.99548	0.7
67.05483	0.9
69.03432	14.6
69.07063	5.0
71.04957	0.6
72.72591	0.8
76.20104	0.7
79.05469	1.1
81.07051	2.3
83.04984	12.3
83.08617	1.1
91.05453	1.4
93.07013	3.3
95.08598	2.9
97.06526	1.7
105.07016	7.2
107.04923	1.0
107.08592	20.4
109.06487	1.5
109.10159	1.4
119.08568	5.8
121.06461	3.8
121.10135	12.1
123.08074	1.4
131.08571	10.1
133.10124	23.4
135.08032	16.1
135.11687	1.5
137.09598	1.5
143.08633	1.1
145.10117	7.1
147.11702	8.3
149.09656	5.8
149.13252	5.3
158.10889	5.9
161.09570	2.9
161.13251	0.8
163.14813	1.4
173.13251	19.4
176.11948	1.2
191.14299	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05506	1.0
67.05492	1.7
69.03423	7.5
69.07049	5.2
81.07045	6.7
83.04973	4.8
83.08588	1.8
91.05441	1.4
93.06999	2.1
95.04945	8.3
95.08586	12.7
97.06510	2.5
105.07019	5.2
107.08582	21.6
109.06503	2.5
109.10137	1.5
113.24655	1.2
119.08556	5.1
121.06470	10.0
121.10144	16.9
123.08060	1.2
123.11169	1.2
131.08524	8.3
133.10109	8.9
135.08041	13.1
135.11652	5.8
139.67191	1.0
145.10141	4.5
147.11636	12.8
148.08824	4.0
149.09601	9.5
149.13217	7.0
158.10918	1.5
163.14771	8.7
173.13240	17.5
191.14291	100.0
194.82364	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01835	1.2
55.05502	1.5
56.00784	1.2
56.53677	1.2
56.55214	1.3
57.35944	1.3
63.06516	1.3
67.05492	5.7
68.09398	1.3
69.03424	2.2
69.07058	2.3
71.04976	7.6
79.05474	2.4
81.07051	9.5
83.04975	1.6
83.08609	1.9
85.06531	5.5
91.05486	1.8
93.07014	6.5
95.04939	9.1
95.08584	10.8
97.06531	1.8
105.07044	10.5
107.04958	1.7
107.08586	22.6
109.06523	24.5
109.09457	2.3
109.10157	54.0
119.08587	4.8
121.06519	2.7
121.10143	20.9
123.08043	7.7
129.06847	1.4
131.08574	25.3
133.10121	28.0
135.08043	64.4
135.11652	5.8
145.10101	9.2
147.08064	1.9
147.11673	8.4
148.08861	2.2
149.09625	18.2
149.13235	9.0
158.10880	5.7
163.14796	5.6
173.13243	47.0
176.11986	1.7
191.08560	14.2
191.14299	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.01459	0.6
55.05513	1.7
57.07066	3.2
65.03928	1.6
66.04279	1.7
67.05491	3.2
67.93544	1.0
68.12759	0.7
69.07068	11.7
73.69930	0.7
76.39356	0.7
78.36227	0.7
79.05490	2.9
81.07061	5.3
83.08619	6.3
91.05442	0.9
93.07047	11.5
95.08021	1.2
95.08604	24.4
97.10168	3.0
103.66500	0.9
107.08595	18.6
108.01226	0.7
108.90434	2.9
109.09435	1.5
109.10150	25.7
111.83780	0.8
121.02841	4.1
121.10127	30.6
122.03188	7.7
122.04190	1.3
123.11655	3.1
135.08269	0.8
135.11684	42.0
147.11528	1.2
148.12386	0.7
149.02325	31.0
149.05914	0.8
149.08211	1.1
149.13243	17.2
149.93050	0.9
150.02670	100.0
150.06535	1.3
181.83694	0.8
191.08961	3.2
191.10689	2.5
191.12892	1.3
191.14362	1.9
191.17934	62.9
194.58318	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	192.0655
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
50.56367	0.3
79.05471	0.8
85.68324	0.3
86.21269	0.4
87.04445	0.4
91.05495	0.4
91.77000	0.4
103.05432	0.5
106.06550	6.8
108.08138	0.4
118.06533	3.1
131.97424	0.5
132.04457	0.5
132.95821	1.5
134.05989	0.8
134.10498	0.5
146.06021	0.6
146.10446	0.7
147.06738	0.5
150.96796	0.9
151.61458	0.4
155.97372	0.6
160.07524	0.5
164.07025	13.5
171.64615	0.4
173.98444	0.5
174.06398	0.4
174.13510	0.6
192.06538	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	192.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35749	0.3
63.97062	0.2
84.69347	0.3
109.01099	0.3
111.07920	0.5
119.04945	0.5
149.02943	7.5
150.03725	9.7
151.09755	0.6
152.47833	0.3
162.03679	0.4
163.04512	2.0
165.11179	0.3
191.08527	0.4
192.08403	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	192.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41520	0.4
72.04517	100.0
74.06080	7.1
84.03526	0.4
84.31876	0.4
91.05476	6.6
119.04926	7.3
133.08838	1.0
142.50159	0.5
148.11166	3.0
148.23224	0.4
169.78908	0.4
181.77940	0.4
191.08533	1.0
192.09386	3.7
192.10271	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	192.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04514	100.0
73.10306	0.3
73.54240	0.3
74.06065	6.1
91.05479	5.9
119.04928	6.8
144.72346	0.5
144.96111	0.4
174.68495	0.4
179.10368	0.4
192.10277	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	192.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04517	100.0
74.06086	7.1
74.96462	0.5
76.33748	0.5
91.05487	5.4
91.26329	0.5
97.09621	0.5
119.04940	8.8
128.98386	0.7
141.60934	0.5
142.41376	0.5
148.11099	0.7
188.26216	0.6
192.10289	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	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
51.44117	1.0
68.05016	1.8
69.27464	0.9
72.04528	0.9
74.06067	11.5
88.24271	1.1
91.05476	40.5
110.07186	1.8
117.05737	10.6
119.04933	40.5
132.08089	92.5
150.09131	100.0
151.09802	4.6
151.10980	1.2
165.11208	1.8
191.08580	1.3
192.02953	1.3
192.06566	1.7
192.10172	40.0
192.12410	5.8
210.64157	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	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
51.21126	0.6
55.62694	0.7
65.03953	1.1
69.31118	0.7
71.63081	0.7
72.04517	8.6
74.06079	10.5
87.04515	0.7
91.05477	32.5
92.18494	0.8
100.71483	0.7
105.06977	0.9
107.08565	0.7
117.05762	7.3
119.04933	33.2
119.05715	1.7
132.08081	79.5
148.93253	0.7
150.09134	100.0
151.09982	0.9
151.11230	1.5
192.06625	1.3
192.10274	37.2
192.12428	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	192.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85131	0.6
53.85257	0.5
55.05512	1.7
56.05026	1.7
56.96574	5.6
57.03411	0.8
58.06591	3.6
59.05007	9.9
60.04523	1.1
69.07050	3.2
70.06577	3.1
70.95847	1.1
72.93797	0.9
81.03426	1.2
81.07053	3.4
85.02901	1.1
86.06034	1.2
87.04496	0.8
90.94789	0.8
96.08118	1.6
98.09688	49.1
98.97590	6.1
100.07615	3.5
110.01289	0.9
110.95605	0.6
111.24557	0.7
111.98481	6.0
112.99119	0.6
113.98669	9.1
114.09156	5.4
116.10731	14.8
116.27940	0.8
116.73765	0.7
116.98632	1.0
119.95576	0.8
122.67100	0.6
129.03104	0.9
130.12250	1.2
131.97464	5.5
131.99664	5.8
132.10161	2.9
132.95836	12.6
134.11813	0.9
138.12784	3.4
149.01195	0.9
149.96071	0.8
149.97217	0.7
149.98438	1.0
150.96907	11.3
155.97427	10.5
156.10202	1.2
156.13829	30.5
156.57668	0.8
158.99622	1.0
173.98460	7.4
174.00793	1.1
174.14876	89.7
186.83990	0.7
191.99612	1.7
192.04840	1.2
192.06335	1.2
192.10435	1.2
192.12320	8.7
192.15945	100.0
195.61717	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	193.0495
Annotation	Anemonin
Peak:m/z	Relative Intensity
51.02387	0.6
51.83017	0.3
56.89842	0.3
67.05537	0.4
77.03937	0.5
79.05486	0.6
81.07047	0.4
82.89945	0.4
86.09471	0.3
88.96468	0.3
91.05460	4.4
94.04139	0.4
95.04953	0.7
95.08588	0.4
105.03385	8.5
105.07010	0.4
107.15050	0.4
109.10132	0.4
119.04924	3.9
119.87199	0.4
122.03616	1.8
128.96469	0.4
132.02071	0.7
133.02840	100.0
133.10135	1.5
137.02771	0.4
139.03889	0.5
146.97443	0.9
147.04411	4.9
147.06308	0.3
147.11708	0.6
150.03102	4.6
151.03870	6.4
160.06624	0.4
161.02316	47.4
165.04195	0.6
165.05469	10.3
169.98946	0.7
175.03886	2.3
178.02551	3.6
178.07765	2.3
193.04950	23.1
193.08521	1.3
193.10092	8.0
193.12036	0.7
193.15930	0.5
206.53661	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	193.0497
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
50.84290	0.2
57.48152	0.2
61.38040	0.2
69.59978	0.2
81.07024	0.3
86.34285	0.2
91.05446	0.3
92.17856	0.4
105.03383	0.3
105.07014	0.3
119.08548	0.4
128.96400	0.5
133.02826	1.2
133.06468	0.4
133.10121	0.5
133.32190	0.2
136.85609	0.3
146.97481	0.8
147.04460	0.4
150.03094	1.5
161.02374	1.9
165.05450	1.0
169.99057	0.5
175.03885	0.5
178.02611	15.9
178.07748	0.3
179.03432	0.3
187.65395	0.2
193.04965	100.0
193.15883	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	193.0497
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.62270	0.3
54.39317	0.3
59.88592	0.3
59.91421	0.3
63.64715	0.3
69.08900	0.3
79.05505	0.7
81.07053	0.8
90.73487	0.4
91.05454	2.0
93.07017	1.4
95.04932	0.6
95.08620	0.5
105.07030	1.7
106.04165	0.7
107.08604	0.5
109.06522	2.4
109.10129	0.5
119.04924	0.5
119.08557	1.8
121.06512	3.5
128.96394	0.7
133.10149	2.4
134.03604	0.4
135.04305	0.4
135.08044	0.4
135.11763	0.4
137.04988	0.7
137.05978	12.7
137.09624	0.5
146.97429	1.6
147.04448	0.3
147.08049	1.4
147.11665	1.2
149.05975	14.2
150.03146	0.3
151.11258	0.3
165.05467	3.7
169.98979	1.2
175.07526	1.3
175.11209	0.6
175.14844	0.4
178.02588	0.5
178.07803	0.7
193.04959	100.0
193.10117	3.7
193.12202	2.2
193.15848	1.2
213.02818	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	193.1013
Annotation	5H-dibenzo[a,d][7]annulene
Peak:m/z	Relative Intensity
52.68956	0.4
55.83448	0.4
71.04974	0.6
81.07039	0.5
91.05462	2.2
93.07050	0.7
93.17829	0.4
93.23800	0.5
95.04942	0.6
105.00030	0.6
105.07013	2.4
107.08584	0.7
108.00784	0.4
109.06536	0.9
119.08585	3.4
121.06497	0.6
123.08033	0.7
133.10156	2.0
135.08028	0.7
135.11717	0.6
137.05975	2.1
146.97420	2.1
147.08015	4.1
147.11678	2.1
149.02423	0.5
165.05458	2.6
165.06865	1.3
165.09132	0.5
169.98962	0.8
175.07492	6.2
175.11122	0.6
175.14804	0.6
178.07756	48.1
188.48627	0.5
192.09297	2.5
193.05042	6.3
193.08708	4.0
193.10117	100.0
193.12105	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	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05511	12.0
57.07080	3.1
67.05499	5.1
69.03417	11.3
69.07068	5.7
81.07066	16.4
81.93987	2.2
83.04969	15.1
83.08601	9.9
85.06552	3.3
89.29546	2.3
90.08275	2.1
93.07036	12.0
95.08610	39.5
99.08112	2.2
105.06989	5.4
107.08596	31.1
109.06513	11.3
109.09454	3.4
109.10157	62.8
111.08063	5.4
119.08573	49.6
121.10143	28.2
123.08047	29.9
123.11716	9.6
133.10120	34.8
135.11687	87.1
135.68201	2.7
137.09637	25.5
149.13248	18.1
151.11198	5.1
151.14832	11.4
172.01303	2.5
175.14835	39.1
193.10107	3.0
193.14104	3.6
193.15866	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	194.1175
Annotation	Corypalline
Peak:m/z	Relative Intensity
52.67996	0.3
57.29914	0.3
63.56220	0.3
79.05501	7.1
95.31940	0.3
107.04955	100.0
107.63616	0.4
134.09653	0.8
149.05974	11.6
177.09303	0.3
179.08568	2.0
194.11841	13.5
197.67439	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	194.1175
Annotation	Corypalline
Peak:m/z	Relative Intensity
52.80705	0.4
73.26566	0.5
79.05496	6.3
81.16295	0.4
89.74163	0.5
92.18513	1.2
107.04955	100.0
134.09671	1.1
142.56308	0.5
149.05957	10.1
179.08527	3.8
193.10175	0.5
194.11942	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	194.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08355	0.5
55.79091	0.5
55.93500	0.5
62.78833	0.5
63.10709	0.5
79.05495	6.4
105.07012	0.6
107.04951	100.0
129.22815	0.7
140.76573	0.6
149.05984	10.5
155.21306	0.6
156.37979	0.5
159.53920	0.6
163.97298	0.6
194.10118	1.0
194.11765	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	194.1175
Annotation	Corypalline
Peak:m/z	Relative Intensity
50.47739	0.4
50.47989	0.3
57.18192	0.3
66.81105	0.4
79.05499	6.1
92.17879	1.2
105.07058	0.4
107.04952	100.0
112.82817	0.4
134.09648	0.6
149.05983	10.3
157.01607	0.5
178.14587	0.4
179.08571	0.9
194.11856	11.9
212.55440	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	194.1175
Annotation	Corypalline
Peak:m/z	Relative Intensity
50.39296	0.4
53.63017	0.4
56.63552	0.4
58.94168	0.5
62.96898	0.5
63.39892	0.4
63.76634	0.4
79.05492	5.3
85.59704	0.5
92.18579	0.8
92.99106	0.5
107.04954	100.0
118.53300	0.5
149.05956	9.9
156.85826	0.5
194.11760	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	194.1173
Annotation	Corypalline
Peak:m/z	Relative Intensity
51.03881	0.5
62.62064	0.4
72.69460	0.4
79.05487	7.0
105.07036	0.8
107.04950	100.0
134.09666	0.7
149.05971	9.2
151.96346	0.5
176.99013	0.5
179.08505	3.6
194.11926	13.5
207.57259	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	194.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79572	0.6
59.65545	0.6
67.50269	0.7
70.05029	0.6
74.16534	0.6
75.50158	0.7
79.05489	4.5
92.17782	1.2
95.93195	0.8
107.04958	100.0
108.62013	0.7
134.09659	0.9
149.06003	9.9
152.34991	0.7
179.08455	1.1
194.11833	14.6
209.91733	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	194.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69931	0.4
54.12062	0.4
55.89909	0.4
57.29803	0.4
71.28415	0.4
79.05495	6.4
81.94477	0.4
84.26460	0.4
84.75245	0.4
89.76746	0.4
95.04941	0.4
107.04955	100.0
111.98507	0.6
118.10374	0.5
132.54095	0.5
133.48378	0.4
134.09674	0.5
149.05972	10.7
149.07054	0.8
194.11789	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
80.33475	0.2
91.05470	0.4
97.57549	0.3
99.77206	0.2
107.04949	0.9
109.38190	0.2
117.32157	0.2
120.08093	3.4
121.06498	100.0
122.13334	0.2
131.04956	0.4
142.82581	0.2
143.42567	0.2
163.07503	1.9
194.11751	2.9
210.64537	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	194.1177
Annotation	Corypalline
Peak:m/z	Relative Intensity
52.18454	0.3
52.80226	0.3
53.13008	0.3
54.46483	0.3
57.18531	0.3
57.71971	0.3
66.28255	0.3
73.40388	0.3
75.68270	0.3
79.05494	6.6
84.57065	0.3
96.70514	0.4
102.77283	0.3
107.04955	100.0
107.23256	0.4
122.26904	0.4
134.09669	0.5
149.05972	10.3
193.80322	0.4
194.11760	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	195.0865
Annotation	Methyl beta-D-fructofuranoside
Peak:m/z	Relative Intensity
53.03951	3.9
57.03439	3.2
58.38581	0.5
62.03408	0.7
62.81062	0.5
69.03426	5.3
71.04997	7.7
75.04475	2.6
81.03421	100.0
85.02896	13.2
99.04452	5.0
109.02879	57.8
113.05991	3.2
127.03922	4.7
141.05469	2.8
171.40643	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	195.1017
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
55.05506	1.6
57.03441	0.5
67.05515	1.2
69.03413	0.6
71.04990	0.8
71.94081	0.8
71.95244	0.5
75.04481	0.4
79.05499	2.6
81.03419	12.4
81.07046	1.3
83.01338	2.1
83.04977	4.2
85.02908	0.8
85.89819	0.3
91.05463	3.9
92.17879	0.7
93.07032	1.8
95.04939	0.5
95.08596	1.6
99.04411	0.4
103.24858	0.4
105.07010	1.8
107.04927	0.5
107.08595	7.1
109.02885	7.9
109.10145	0.7
109.98949	0.8
112.96693	2.9
115.05419	0.6
117.06997	2.4
119.08580	1.9
121.06514	0.4
127.03879	0.7
130.96291	0.8
130.97714	0.4
133.10149	0.3
135.08049	5.8
135.11710	1.3
139.11191	2.9
147.08014	0.8
148.97333	0.8
149.09604	1.4
153.06953	0.5
153.97899	0.7
163.07521	4.8
165.06978	1.5
167.08531	1.4
167.10622	0.8
171.98895	0.4
177.05482	0.6
177.09102	10.5
180.09312	4.9
195.10165	100.0
195.11722	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	195.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27697	0.2
52.03175	0.2
53.03948	0.3
56.50034	0.2
64.43217	0.2
66.37508	0.2
67.05484	0.3
67.05857	0.2
69.03424	1.0
71.04983	1.1
75.04475	0.2
79.05485	1.0
81.03416	13.9
81.07072	1.7
85.02905	1.3
91.05482	0.9
93.07037	1.8
93.68602	0.2
95.08600	1.4
97.06534	0.2
99.04440	0.4
107.08578	1.0
109.02874	9.1
109.98979	0.3
111.31058	0.2
111.56040	0.2
112.96716	0.2
115.05436	0.2
117.06992	0.3
120.86666	0.2
121.06451	0.3
121.10162	0.3
127.03899	0.5
130.96313	0.5
135.08066	0.5
135.11671	3.5
141.05466	0.9
141.06947	0.4
145.02876	0.5
148.97269	0.3
149.09621	0.2
149.13278	0.9
151.07535	1.8
152.06166	1.1
153.06995	3.4
153.97884	0.3
155.08545	1.5
159.11639	0.3
165.06978	40.0
166.07768	2.7
167.08539	10.7
177.05472	0.4
177.12759	0.5
178.07732	0.5
179.08533	5.4
180.09319	46.8
186.37096	0.2
193.10146	1.2
194.10727	0.3
195.08014	6.3
195.11678	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	195.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06282	0.3
57.31966	0.4
61.57302	0.4
65.62025	0.3
67.05505	0.6
69.03445	0.6
71.04980	0.5
71.94066	0.4
73.94792	0.4
81.02982	0.6
81.03425	12.0
81.03881	0.4
81.07053	0.4
85.02883	0.9
92.44121	0.4
93.07004	0.6
107.08549	0.8
108.05323	0.4
109.02882	7.4
112.96687	0.4
121.10170	0.8
130.96280	0.8
132.71399	0.4
135.11708	0.5
138.06624	1.7
149.09628	0.4
152.06166	1.5
153.07002	4.8
153.09062	0.5
153.97888	1.5
155.08554	1.6
165.06985	35.8
166.07785	1.8
167.08534	9.7
167.30479	0.4
177.05450	0.7
177.16412	0.4
178.07738	0.4
179.08585	4.3
180.09325	43.3
195.07961	5.4
195.11688	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
64.24377	0.3
65.02675	0.3
69.03414	0.5
71.04980	0.4
71.76591	0.4
78.16617	0.4
81.02924	0.5
81.03411	9.8
81.07061	0.4
85.02880	0.4
107.04949	0.5
109.02876	5.6
121.10072	0.5
130.96301	0.5
135.11644	0.4
149.13231	0.4
152.06172	0.4
153.06978	4.2
155.08524	1.4
165.06975	33.9
166.07713	1.7
167.07115	0.7
167.08539	10.8
179.08537	5.3
180.09325	45.2
193.10085	0.4
195.08057	6.1
195.11681	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52682	0.7
52.00992	0.8
52.54698	0.7
55.97929	0.8
56.70802	0.7
64.00958	0.9
67.05514	1.3
70.54285	0.9
71.04996	1.2
71.82709	0.9
71.94102	1.8
81.03425	28.3
82.77610	0.9
84.77777	1.1
85.02894	2.1
93.07059	1.3
107.04967	1.7
108.05286	4.6
109.02882	17.3
112.96703	1.9
120.45116	1.0
127.03956	1.1
135.11633	1.7
138.06677	1.1
149.13307	1.0
152.06198	4.2
153.06979	5.4
163.60136	0.9
165.06992	28.6
166.07739	2.3
167.08565	16.3
177.05470	1.3
179.08533	1.9
180.09326	35.7
195.08029	31.3
195.11693	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20996	0.3
55.47257	0.3
57.23325	0.3
61.02527	0.3
72.36594	0.3
81.03441	0.6
81.71111	0.3
82.33542	0.3
85.97885	0.3
107.08553	0.3
113.68685	0.4
141.07005	0.4
149.13208	0.5
153.06990	4.6
155.08475	0.7
158.94223	0.3
159.21666	0.3
165.06979	18.2
166.07787	2.2
167.08546	5.4
177.12741	0.4
179.08551	3.3
180.09326	26.4
194.10635	0.4
195.11685	100.0
203.79208	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	195.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54743	0.2
56.24144	0.2
59.24516	0.2
68.96329	0.2
71.44976	0.2
71.94083	0.5
71.95268	0.5
78.92170	0.2
80.16662	0.2
81.03428	3.1
109.02866	2.4
109.98959	0.3
112.96705	1.6
121.10139	0.3
130.96271	1.1
142.21156	0.3
143.03804	0.3
148.97322	0.5
152.06235	0.4
153.06969	3.5
153.97844	0.6
155.08609	0.3
165.06985	17.3
166.07809	2.3
167.08551	5.9
171.98938	0.4
178.07829	0.3
179.08569	2.5
180.09332	25.8
193.10100	1.0
194.10555	0.3
195.08041	5.3
195.11690	100.0
213.31726	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12247	0.5
55.31038	0.5
57.07069	1.1
64.34089	0.5
65.05060	0.4
71.94106	1.2
81.03416	6.7
90.94037	0.6
109.02865	5.4
112.96664	4.9
121.63831	0.6
152.06232	0.9
153.06975	5.1
153.97858	1.1
155.08527	2.4
163.98097	0.5
165.06981	24.3
166.07738	2.9
167.08546	11.8
179.08498	1.2
180.09323	35.2
195.08049	19.5
195.11681	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.78384	1.6
53.03950	3.0
55.01303	1.6
55.01860	2.0
55.05521	16.8
57.03438	7.3
61.24144	1.8
67.05172	2.8
67.05508	58.9
69.03421	8.3
69.07071	19.1
71.04980	10.8
71.94099	21.3
71.95238	6.8
79.05497	49.2
79.57605	1.9
81.03419	63.3
81.07059	100.0
83.04980	34.8
83.08604	10.1
85.02897	1.9
85.06535	3.4
87.04507	1.8
91.05473	31.1
93.07037	79.7
95.04970	15.7
95.08598	55.9
96.33992	1.8
97.06512	25.3
99.04474	2.6
104.02445	2.0
105.07023	15.1
107.04966	3.1
107.08602	29.1
109.02868	23.9
109.06491	9.5
109.10148	6.8
109.98878	2.5
111.08046	7.5
112.96702	41.8
117.07002	22.7
119.08577	3.3
121.06493	10.7
121.10128	12.2
127.03933	2.3
130.96265	3.7
130.97774	7.0
131.00044	4.2
131.08549	25.3
133.10130	29.0
133.90741	2.0
135.08029	9.1
135.11682	52.2
138.06682	3.3
149.09587	2.3
149.13255	24.6
151.11259	2.1
152.44981	1.8
153.97884	3.2
154.01538	2.4
159.11693	32.1
165.07007	12.6
167.08517	2.8
177.12721	20.6
180.09319	23.3
195.08665	9.6
195.11690	71.8
195.13788	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1493
Annotation	Tetrahydrocytisine
Peak:m/z	Relative Intensity
53.29253	0.3
55.29536	0.3
56.55734	0.3
57.03435	0.4
67.05504	3.2
67.30454	0.3
69.03425	0.7
70.06584	2.2
71.04980	1.7
79.05508	1.4
81.02984	0.5
81.03425	13.1
81.07053	5.9
85.02905	2.8
85.36579	0.4
85.92516	0.3
89.03871	0.4
91.04063	0.3
91.05459	0.4
92.56989	0.3
93.07024	1.8
95.04996	0.4
95.08605	0.9
97.06490	0.3
99.04484	0.3
105.07045	0.5
107.08584	1.4
109.02885	9.1
109.98945	0.7
117.03363	1.8
119.08572	0.5
121.06534	0.4
121.10090	0.5
123.08053	0.4
125.05996	0.5
126.09104	0.3
127.03887	0.6
130.96338	0.8
135.04457	0.5
135.08069	0.7
135.11670	2.0
137.09604	3.0
137.12006	0.5
145.02846	6.5
148.97368	0.7
149.05995	1.6
149.13274	0.6
150.06668	0.4
151.08664	0.4
153.97905	0.8
159.11700	0.4
163.04024	0.5
164.08334	0.7
165.05458	1.5
165.06972	1.7
171.98941	0.4
177.05446	8.9
177.12732	1.5
178.12250	0.7
180.07800	4.3
180.09349	1.7
195.02934	2.6
195.08711	1.2
195.10153	5.5
195.11792	5.0
195.14929	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.18053	0.8
55.01883	3.5
55.05519	12.2
57.03439	1.6
57.07075	2.2
67.05487	3.9
69.03428	8.0
69.07071	33.0
71.04989	10.3
76.08901	0.8
79.05489	5.0
81.03419	47.3
81.07061	30.5
83.04971	1.3
83.08629	13.6
85.02887	6.3
85.06542	8.6
85.10143	1.0
90.12349	0.9
93.07040	15.1
95.08601	45.6
97.10154	12.0
99.08087	45.4
105.07023	1.8
107.08588	38.6
107.09270	1.7
109.02869	32.3
109.10155	13.0
111.08086	14.6
111.11725	4.4
113.09644	7.1
118.33649	0.8
121.10135	59.9
123.11694	4.4
125.09625	35.8
127.03900	2.1
127.11226	1.0
127.53909	0.9
130.96262	1.1
135.11690	19.1
137.13260	22.0
139.11198	3.6
141.05470	1.1
149.13255	4.7
149.33998	0.9
151.07549	1.8
165.06998	1.8
167.08496	1.2
177.05464	1.9
177.16376	100.0
180.09366	3.3
195.08762	0.9
195.11728	8.4
195.13527	0.8
195.17442	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51378	0.3
51.58563	0.4
52.29615	0.4
53.53348	0.3
58.05218	0.4
61.79696	0.4
67.37928	0.4
72.93787	10.8
78.78038	0.4
88.39921	0.5
90.94833	2.8
91.05473	100.0
92.18616	0.5
103.05450	2.8
109.71927	0.4
113.96387	31.4
119.04935	14.0
119.66728	0.4
120.08090	21.7
131.96227	0.8
131.97417	10.0
135.54047	0.4
140.87384	0.4
154.97844	0.5
154.99031	0.5
165.23341	0.4
181.06450	0.9
181.10027	4.0
196.09883	8.3
196.12192	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	196.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91729	0.4
59.19724	0.4
66.72253	0.4
72.93784	20.8
85.57946	0.4
90.94821	5.1
91.05477	100.0
103.05457	2.9
113.96394	60.5
119.04939	12.4
120.08092	21.7
120.09412	0.5
127.03923	0.4
131.95268	0.5
131.96199	3.0
131.97443	17.5
144.29839	0.4
149.97188	0.9
154.97820	0.8
154.99043	2.4
155.03458	0.5
165.05470	0.5
171.39427	0.4
181.10115	2.9
191.81075	0.5
196.09903	8.7
196.12096	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	196.0969
Annotation	L-Tyrosine methyl ester
Peak:m/z	Relative Intensity
51.09669	0.2
75.91110	0.3
81.03430	0.5
81.94197	0.3
82.03749	1.6
83.67480	0.3
91.05477	100.0
98.17951	0.3
103.05466	3.0
110.03232	1.2
113.96378	0.4
119.04935	15.1
120.08097	20.8
127.67331	0.3
169.59032	0.3
196.09697	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	197.0961
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
51.34766	0.5
55.05500	0.7
70.95871	7.0
72.93771	1.4
82.02090	0.5
84.29035	0.6
90.94850	0.9
111.77362	0.6
111.98468	14.5
113.96365	4.4
114.94794	0.7
123.45780	0.6
128.06172	0.7
129.07001	2.7
129.99489	1.3
131.97398	0.8
132.95831	27.4
136.14685	0.6
141.06990	19.1
143.08572	1.4
150.96873	15.2
152.06190	1.0
153.06978	6.3
154.07758	21.4
155.08540	37.6
155.97408	22.8
155.98662	0.8
156.09341	1.3
157.10133	0.7
161.92761	0.6
165.41245	0.6
167.08539	10.1
168.09300	2.7
169.06322	2.0
169.10115	44.8
173.98470	14.6
179.08531	16.9
181.06360	1.9
182.07292	14.0
182.10892	16.8
197.09604	100.0
197.13248	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
51.52482	1.2
61.10037	1.3
70.95850	2.5
71.92769	1.2
76.61424	1.5
79.05495	1.9
79.08970	1.3
81.99689	1.3
87.98206	1.3
91.05487	2.7
93.07038	13.2
95.04957	3.6
105.07013	9.9
106.09326	1.3
107.08590	50.8
109.06491	2.7
109.10168	2.1
111.03271	1.5
111.08131	1.3
111.98459	13.8
118.57820	1.4
119.08556	2.6
121.06483	5.8
123.11658	1.9
132.95837	25.8
133.10127	54.2
133.11140	2.0
135.11696	52.2
136.84250	1.6
137.09613	5.7
141.75021	1.3
150.96898	9.1
151.11212	2.8
155.97417	21.1
161.09579	29.6
169.10146	3.0
173.98494	7.4
179.10663	100.0
182.11031	1.9
197.07816	1.7
197.11717	86.8
197.13313	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	197.1174
Annotation	Phenol A
Peak:m/z	Relative Intensity
54.92295	1.1
55.05503	1.3
56.89769	0.9
59.05008	1.2
65.72758	1.0
67.05486	1.5
69.04588	1.0
70.95857	2.0
79.05493	1.3
81.07040	1.4
81.64539	1.0
84.32921	1.1
91.05458	6.8
93.07056	11.3
95.04967	2.8
95.08640	1.2
100.35957	1.3
105.07050	9.2
107.08595	49.9
109.06493	4.5
109.10150	2.5
111.98476	12.2
119.08579	5.2
121.06458	5.0
123.04396	1.4
123.11677	1.7
125.05959	7.8
127.03926	4.3
132.95833	16.3
133.10132	52.7
135.08052	1.3
135.11697	52.9
137.05957	7.8
137.09618	5.4
150.96860	10.6
151.03856	1.8
151.11183	5.6
155.97447	14.4
158.44412	1.1
161.09616	32.3
173.98477	7.2
175.32558	1.2
179.10674	100.0
197.11720	67.9
197.12993	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05520	0.6
70.95852	4.9
72.93772	3.4
73.00999	0.5
88.96940	0.8
90.94829	0.6
91.05485	0.9
93.76453	0.5
105.07048	5.0
111.98474	13.8
113.96378	3.2
129.07008	1.2
129.99493	1.0
131.97487	1.0
132.66061	0.6
132.95828	17.5
133.10098	0.7
141.06982	3.8
143.08601	1.1
150.96881	13.2
151.03902	2.7
153.07011	0.8
154.07761	3.4
155.08545	21.8
155.97423	18.1
156.09352	6.1
157.10104	1.1
167.08551	6.9
168.09290	4.7
169.10114	18.0
173.98480	10.7
179.08560	2.4
179.10704	0.8
181.10161	0.9
182.07292	1.9
182.10913	34.9
183.07181	0.5
195.11674	1.0
197.09633	18.3
197.13261	100.0
202.17554	0.6
209.11977	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05499	1.1
63.34452	0.6
65.27532	0.8
70.95853	0.8
105.07021	1.6
111.98440	3.1
129.07051	1.1
132.95830	5.2
141.06987	1.9
142.07707	1.2
143.08527	3.3
150.96867	1.4
153.06992	1.5
154.07773	1.3
155.08549	35.0
155.97427	6.2
156.09349	15.7
157.10121	3.2
167.08615	5.7
168.09346	1.1
169.10120	33.7
173.98457	1.2
182.10922	27.9
182.74759	0.9
195.11707	0.9
197.09581	7.4
197.13260	100.0
208.70366	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
53.92514	0.6
54.32517	0.7
55.01865	0.9
55.05515	0.8
70.95863	12.2
71.82587	0.7
72.93774	6.5
79.47399	0.7
88.58752	0.7
88.96879	1.1
90.94806	1.6
95.83998	0.7
98.36025	0.7
105.06995	2.9
106.15733	0.6
111.98470	48.0
111.99249	1.6
112.16493	0.7
113.08245	3.0
113.96390	8.8
114.94741	1.5
114.96555	3.3
129.06973	1.5
129.99507	6.2
131.97394	1.7
132.95824	63.9
137.08156	0.8
141.06958	5.2
143.08536	2.8
149.16254	0.7
150.96880	36.0
153.01022	0.7
153.06940	1.7
154.07787	5.6
155.08514	36.9
155.97411	54.2
156.09349	7.7
167.08536	11.3
168.09303	3.7
169.10098	36.6
173.98474	29.8
179.08562	4.3
180.33775	0.7
181.10226	0.7
182.07222	4.7
182.10893	33.7
195.11615	1.0
197.00081	3.1
197.09604	41.0
197.13245	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05512	1.1
82.71846	0.7
92.62608	0.7
111.98479	3.7
132.95818	3.3
141.06999	1.2
153.06921	0.8
155.08548	32.2
155.88936	0.8
155.97449	1.6
156.09341	18.1
157.10074	4.1
164.44357	0.8
165.07056	1.0
167.08571	10.2
169.10118	34.6
182.10890	30.7
186.32246	0.8
197.13254	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	197.1324
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
55.05513	1.0
70.95869	2.2
72.93768	0.7
87.64233	0.7
89.17120	0.6
91.63823	0.6
104.01926	0.6
111.98481	6.1
132.95825	10.2
141.06982	3.0
142.07753	1.1
143.08604	1.0
150.96890	5.0
153.06941	1.1
154.07777	1.5
155.08528	33.5
155.97418	9.4
156.09344	16.4
157.10100	4.3
167.08557	7.3
168.09344	1.2
169.10106	30.1
173.98535	3.1
182.10902	28.3
182.12546	0.8
195.11700	1.5
197.09547	3.4
197.13255	100.0
211.56735	0.8
215.00865	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	198.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40149	0.5
53.14775	0.5
56.96559	2.9
58.06585	3.6
59.04982	3.2
59.07373	0.6
60.08170	8.9
61.93702	0.6
65.41055	0.5
65.59629	0.5
68.31613	0.6
70.95287	0.6
80.95000	0.7
85.08928	4.6
88.99179	0.6
92.18040	0.6
95.06083	12.0
97.96815	0.7
98.97572	1.1
100.11254	82.1
110.97498	0.7
115.55668	0.5
118.12289	100.0
119.97517	0.6
121.97496	0.8
124.99031	0.8
129.03067	1.0
132.95833	1.1
133.95982	0.7
143.00114	1.0
143.03687	0.7
154.13333	3.0
157.03432	0.9
174.99097	2.7
176.94182	0.6
182.49400	0.6
198.07950	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51855	0.8
51.67021	0.8
56.96564	1.2
79.97081	0.9
98.96932	1.6
98.97585	40.6
101.00870	2.2
116.01947	3.8
116.98636	12.1
119.01923	2.1
123.33745	0.9
127.63960	0.9
134.03012	4.3
134.99654	1.1
138.96413	12.2
139.96536	1.7
156.97473	100.0
157.97539	7.7
158.01297	1.2
158.02928	1.3
162.98215	1.6
174.98535	47.5
175.98462	1.5
180.97566	3.3
180.99144	22.4
198.98563	30.3
199.00275	5.9
216.99580	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	199.06
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
51.39309	0.5
55.01875	1.2
56.96561	0.7
57.03436	0.7
65.03903	0.7
67.05499	1.0
68.99793	5.0
69.03436	4.2
70.06593	0.9
72.08144	1.3
79.05469	0.8
81.03432	1.3
81.27989	0.6
82.06580	0.6
82.19862	0.5
83.04979	4.2
84.04522	0.6
84.08134	2.3
85.02896	1.0
85.06557	0.6
87.04442	0.6
93.37304	0.5
95.04958	5.1
96.14208	0.6
97.02882	12.8
98.97578	14.5
99.04436	0.8
99.05034	0.6
103.03917	0.6
107.04961	3.0
107.06040	0.8
109.02866	0.6
111.04435	10.1
112.07630	0.6
113.05996	5.7
115.03915	7.9
116.97251	5.1
116.98592	7.0
121.02840	0.9
123.04413	10.3
125.05986	2.9
126.02572	2.2
127.03916	4.2
131.99565	0.7
132.95911	0.6
134.99695	1.0
135.03119	2.3
135.04407	4.9
135.09143	0.6
139.03900	32.9
140.00131	0.9
144.03596	1.2
151.03894	43.3
152.96841	0.8
153.04298	1.2
153.05464	23.4
153.06613	3.4
155.54384	1.1
157.04987	1.1
157.97502	1.2
158.01205	1.3
163.03914	6.5
163.08653	0.6
165.94292	0.7
166.35632	0.7
175.98502	4.1
175.99940	0.6
181.04939	100.0
182.08167	4.9
199.04219	0.7
199.05969	20.4
199.07658	2.2
199.10858	1.4
199.14590	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	199.0602
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
52.62651	0.6
55.01868	0.9
59.04961	0.6
65.03944	0.9
67.05512	5.2
68.99790	1.2
69.03412	3.0
69.07067	1.3
71.04979	0.9
73.06495	0.6
77.03917	3.7
79.05497	52.3
81.03439	2.5
81.07064	7.4
83.04992	8.4
91.05468	1.2
95.04965	11.5
97.02870	3.1
97.06530	8.4
98.97585	24.3
99.04482	1.1
105.04494	1.5
107.04957	76.8
109.02897	0.8
109.06517	3.2
110.01281	0.7
111.02109	0.8
111.04441	13.6
115.03943	0.8
116.97223	11.9
116.98589	11.0
119.04948	0.8
123.04429	5.3
125.02357	9.8
125.05982	6.2
126.02554	0.7
127.03925	0.7
131.99524	3.2
134.95752	2.5
134.99673	1.3
135.04416	100.0
137.06004	2.5
138.06345	1.1
139.03902	5.0
139.06528	1.4
143.08549	0.8
144.03635	1.3
146.53792	0.7
149.02257	0.8
151.03902	4.4
152.96912	1.6
153.01851	5.2
153.05458	79.6
155.54425	1.2
157.04951	3.4
157.97467	5.2
158.01233	2.7
163.03897	3.8
163.08707	0.8
171.08105	3.0
175.98523	10.4
181.04953	60.7
182.08105	1.5
199.06013	53.6
199.07576	3.6
199.11098	0.9
199.14542	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	199.0603
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
53.03954	0.4
53.22729	0.2
54.98620	0.2
55.01878	0.3
56.96367	0.2
56.96577	3.8
57.44807	0.2
57.93560	1.2
67.05500	1.3
68.99776	0.5
69.03431	0.7
69.07066	0.6
70.06576	0.5
71.04995	0.3
74.25951	0.3
75.94604	0.5
77.03911	0.5
79.05495	11.9
81.03413	0.6
81.07069	2.2
83.04986	2.3
91.05473	0.3
93.03403	0.4
93.07037	0.4
93.95604	0.4
95.04961	3.4
97.02894	1.8
97.06517	2.5
97.99136	0.3
98.96198	1.9
98.97581	100.0
105.14884	0.3
107.04951	15.7
107.05682	0.5
107.08611	0.4
109.02831	0.4
109.06535	0.7
111.04449	4.2
111.98448	0.6
113.98449	1.5
115.03934	0.4
115.96368	0.3
116.97261	24.6
116.98607	62.2
117.06987	0.3
117.63217	0.4
119.12598	0.4
121.07608	0.4
123.04416	1.9
125.02348	1.6
125.05999	2.4
125.07077	0.3
126.02526	0.4
131.99541	8.5
134.95808	3.8
134.99652	28.1
135.03209	1.3
135.04405	23.6
135.08090	0.3
135.09068	0.3
137.05975	0.3
139.03880	3.2
140.00192	6.4
140.06946	0.4
141.05487	0.6
144.03609	1.3
146.53854	0.4
146.70282	0.3
148.96114	0.4
151.03876	3.8
152.96907	8.0
153.00636	2.8
153.04295	0.9
153.05449	20.8
153.10164	0.5
155.54395	1.4
157.04982	0.5
157.97487	8.7
158.01248	11.3
163.03854	0.5
163.08638	0.5
170.98012	0.4
175.98509	21.0
176.02211	2.2
181.01381	2.3
181.04948	14.6
181.09747	1.3
199.00159	0.4
199.04103	0.5
199.06003	14.5
199.07751	0.6
199.11249	1.6
199.14633	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	199.0966
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
53.03944	0.4
58.50534	0.3
59.22178	0.4
65.03939	0.5
69.07069	0.5
69.91771	0.4
70.92790	0.4
74.09713	0.6
75.09038	0.4
79.05503	0.4
89.92333	0.4
91.05472	8.6
93.07024	5.0
95.04958	2.9
98.97585	5.4
103.05458	1.8
105.07024	0.7
107.08575	0.5
109.06501	0.8
110.03648	0.5
116.97197	2.1
116.98595	3.7
119.04916	5.3
120.05714	2.4
121.06499	33.4
123.04392	0.8
124.05212	0.6
125.05990	11.1
126.02516	0.7
131.04965	0.5
131.99564	0.7
133.02826	0.8
134.99658	0.7
135.08000	0.5
137.05972	2.3
138.06747	0.7
143.08534	1.7
144.03593	0.5
147.04408	1.1
148.05179	3.8
149.06007	4.1
151.03888	6.5
152.96942	0.6
153.09082	2.4
157.10123	2.7
162.37161	0.5
166.06242	36.3
171.11661	0.8
175.98482	0.8
181.08585	100.0
188.55403	0.5
199.07603	0.7
199.09462	0.6
199.11069	2.6
199.14845	3.9
218.36594	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	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
61.30016	0.4
62.62544	0.5
69.03414	2.6
73.04664	0.5
80.65943	0.4
80.78048	0.4
92.17802	0.9
98.97597	3.9
105.07008	0.6
109.02838	0.5
115.96436	1.0
116.97235	5.5
128.06224	2.2
129.06998	3.2
131.99565	2.0
134.95888	0.7
135.03102	1.2
141.07024	0.6
143.08568	17.6
144.03613	1.0
152.96944	1.0
153.04153	0.9
153.07014	0.7
155.54390	1.1
156.09312	2.7
157.10130	5.3
157.97461	1.2
158.07271	1.0
165.07007	2.4
166.07780	7.1
169.06529	0.9
171.08018	3.8
171.11664	7.4
175.98489	3.7
181.10117	16.5
183.08037	0.7
184.08846	6.6
188.74673	0.5
199.07541	3.8
199.11185	100.0
199.14925	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	199.1117
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
52.49188	0.3
66.81014	0.3
69.03416	2.0
71.12232	0.3
93.07018	0.4
98.97586	5.3
100.08468	0.3
105.07001	0.6
115.05423	0.6
116.97249	3.2
116.98615	1.4
117.06986	0.4
128.06216	3.3
129.07002	4.2
131.99530	0.5
134.95811	0.5
141.06979	1.4
142.07758	2.0
142.73439	0.4
143.08557	22.2
144.03624	1.5
152.96945	0.5
153.04129	0.6
153.07028	1.4
155.08560	0.6
155.54456	0.4
156.09328	4.6
157.06544	0.7
157.09035	0.3
157.10155	6.8
157.97357	0.5
158.07228	0.8
165.06946	2.2
166.07761	6.3
169.06526	1.4
170.10840	0.5
171.08031	5.4
171.11679	8.6
175.98528	2.2
181.10109	16.1
184.08806	8.6
184.12425	0.8
198.10020	0.6
199.07550	8.0
199.11166	100.0
199.14801	10.4
203.79559	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	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
51.19228	0.3
53.66661	0.3
55.00192	0.3
57.07060	0.4
58.77093	0.3
69.03412	2.2
73.21030	0.4
102.09165	0.9
106.14250	0.4
118.21157	0.4
128.06207	2.6
129.06993	1.5
141.07025	0.5
142.07784	0.6
143.08556	18.3
148.88631	0.4
153.07065	1.3
155.08533	0.8
156.09349	2.2
157.06445	1.3
157.10165	2.7
158.07320	0.6
158.15379	7.1
165.06982	2.0
166.07770	7.7
171.08096	4.1
171.11676	7.1
181.10121	18.6
184.08800	8.9
199.07509	4.7
199.11176	100.0
207.43179	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	199.1481
Annotation	Vetivazulene
Peak:m/z	Relative Intensity
51.40381	0.6
51.56563	0.6
55.05515	1.0
56.96558	1.0
67.77795	0.6
69.07055	1.7
74.93810	0.6
79.05464	1.0
81.07042	0.6
83.70035	0.6
85.51350	0.7
93.07026	1.3
98.97572	8.2
105.07031	3.0
107.08552	1.2
115.96429	1.7
116.96526	0.8
116.97241	12.8
116.98594	1.7
119.08561	1.4
128.06180	1.6
129.06970	4.1
131.08528	3.5
131.99516	5.1
134.95857	3.0
135.03035	3.4
142.07764	3.2
143.08533	17.8
144.03604	4.7
152.96921	3.6
153.04156	1.1
155.08511	1.2
156.09305	3.4
157.10106	28.8
157.97429	4.5
169.10095	1.3
170.10873	1.3
171.11664	10.9
175.98553	9.1
181.09969	1.1
184.08832	0.9
184.12434	3.3
185.63695	0.8
199.07404	1.1
199.11176	11.5
199.14801	100.0
207.77783	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	199.1482
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
55.05511	1.0
56.96576	7.2
57.03430	2.3
57.07063	0.9
57.93570	1.7
59.21623	0.8
63.34057	0.8
71.04985	1.4
73.34789	0.9
73.45464	0.9
74.09704	1.5
74.93825	1.0
78.76041	0.9
79.05486	2.3
79.11588	1.0
84.88848	0.9
87.04465	1.3
93.07027	1.0
97.96795	1.7
98.97581	21.3
99.04427	3.6
105.06995	1.7
107.08555	1.0
108.01503	1.2
109.02816	1.0
110.01288	1.8
115.96413	5.0
116.96108	0.8
116.96402	1.1
116.97244	25.1
116.98566	9.1
117.02001	5.5
119.01780	1.6
126.02562	15.8
126.96736	0.9
128.02303	2.2
128.06200	11.3
128.52826	1.0
129.06996	7.6
131.99585	8.4
133.21669	1.0
134.95866	2.2
134.99612	1.7
135.03081	19.4
137.53261	1.6
139.98883	1.5
140.00166	2.0
141.06966	9.1
142.07794	9.9
143.08560	100.0
144.03619	33.6
146.53883	6.1
150.40909	1.0
152.96953	6.6
153.04140	9.9
155.07338	1.0
155.08527	6.9
155.54407	14.9
156.09341	54.0
157.10117	47.1
157.11435	1.4
157.97490	8.1
158.15361	3.7
164.54950	5.2
170.10896	2.3
171.11656	10.5
175.98521	23.6
181.09900	1.1
184.12450	1.6
185.10060	1.0
192.89122	1.0
199.11221	8.7
199.14809	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1805
Annotation	Cycluron
Peak:m/z	Relative Intensity
50.33755	0.4
55.05518	2.5
56.96568	0.6
61.78567	0.5
72.04523	7.2
74.09719	100.0
83.08618	6.1
96.91667	0.5
97.43712	0.5
98.97588	6.2
100.07616	30.7
116.97222	5.6
116.98609	1.8
117.10261	2.2
124.75111	0.5
126.02573	1.0
128.06252	0.5
131.99548	1.2
134.99646	0.5
135.03105	0.8
141.06990	0.7
142.07681	0.6
143.08571	3.1
144.03607	2.9
153.04106	1.1
155.54338	1.0
156.09322	1.2
157.10143	2.1
157.97452	2.0
158.07173	0.5
171.11700	3.1
175.98479	3.4
181.10121	1.1
184.08855	1.1
199.07541	1.0
199.11176	12.9
199.15114	4.7
199.18039	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58536	0.6
56.96566	1.5
60.27229	0.7
60.72234	0.8
69.65927	0.7
89.55235	0.7
98.97584	100.0
99.97912	5.2
112.97527	0.7
116.98618	30.1
117.79539	0.7
133.55304	0.6
134.99651	5.9
135.63506	0.7
140.00221	1.3
158.01212	1.1
158.99693	3.1
159.01576	0.8
169.88095	0.6
177.00742	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	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
56.96562	0.3
63.70414	0.3
68.25867	0.3
68.37959	0.3
69.07052	0.4
73.02930	0.4
74.48782	0.3
82.06602	0.3
83.07343	2.3
84.04501	0.7
84.08158	1.4
85.02891	0.6
93.69741	0.3
98.97591	3.5
111.10435	0.5
116.98625	1.2
119.01870	0.4
119.43544	0.3
126.09152	1.3
130.08627	0.5
136.06174	0.4
136.07567	2.9
140.03450	1.8
140.07056	0.3
152.04228	0.4
154.08708	4.8
154.12260	100.0
158.99675	0.5
159.02814	0.3
162.85999	0.3
164.07013	0.5
172.13263	0.5
176.98372	0.3
177.04202	0.4
182.04564	1.7
182.08080	1.7
182.11792	0.6
200.09134	2.4
200.12804	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2009
Annotation	Halaminol B
Peak:m/z	Relative Intensity
54.61838	0.7
57.07085	7.8
57.07292	0.8
58.08305	0.7
65.11914	0.9
67.02860	0.8
71.08613	2.1
72.78130	1.0
74.06067	5.1
76.93348	1.3
83.08629	1.0
88.07622	20.7
98.97572	1.3
102.09167	12.0
103.36318	0.9
116.10703	3.8
117.95971	8.2
131.08504	1.1
157.10109	1.1
158.10449	5.6
158.74171	1.0
159.08006	1.8
172.12093	1.0
200.09270	0.9
200.11569	3.8
200.15182	13.1
200.20088	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	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.01870	1.5
55.05496	0.8
56.27310	0.8
57.03429	0.8
59.30259	0.7
67.05494	1.2
69.07048	1.7
77.91943	0.7
79.05489	1.4
79.34244	0.7
81.03407	2.0
81.07045	7.6
91.05470	4.4
93.07036	6.7
95.04966	1.7
105.07034	11.2
105.45357	0.7
107.04971	0.9
107.08576	6.0
109.06498	1.7
117.07020	2.0
118.96745	3.6
119.08574	6.3
121.06517	3.4
129.06998	3.7
131.08560	25.4
133.10112	3.5
133.99049	1.5
141.06981	1.4
142.07762	2.1
143.08521	9.0
144.09334	1.3
145.06477	16.7
145.10120	24.1
146.07208	1.0
153.07018	0.9
155.08540	7.5
156.09363	1.0
157.10167	6.7
158.10883	4.5
159.08046	23.1
159.11716	12.6
159.48260	1.0
168.09344	11.1
171.07982	1.0
171.11664	1.4
172.08736	1.8
173.09647	6.6
173.13242	20.0
177.98053	3.5
183.11720	14.7
186.10422	9.2
201.12737	100.0
201.16367	11.4
220.53625	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	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.76183	0.9
55.01861	0.9
57.98404	1.1
67.05482	2.2
69.07062	4.4
79.05457	1.5
81.03409	2.8
81.07061	9.4
91.05453	5.6
93.07042	5.0
95.04932	1.6
105.07038	13.7
107.04942	1.8
107.08589	8.1
117.06996	2.2
118.96741	14.3
119.08550	8.6
121.06473	4.3
129.06970	2.8
131.08554	29.6
133.10120	4.7
133.99055	1.3
136.95415	2.5
141.06960	1.9
142.07780	2.8
143.08586	10.5
144.09311	2.0
145.06497	13.5
145.10110	24.2
146.07278	1.8
147.49014	1.1
154.96390	2.1
155.08521	8.4
156.09261	1.4
157.10144	8.3
158.10878	4.7
159.08040	24.3
159.11719	15.1
159.96994	5.1
168.09331	9.6
171.11673	2.3
173.09598	6.8
173.13220	21.8
177.98039	10.8
183.11668	16.3
186.10399	9.1
201.12726	100.0
201.16528	10.3
201.20404	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
54.80926	1.2
67.05512	2.1
79.05489	1.7
81.07063	8.9
83.66839	1.1
89.28320	1.5
91.05457	5.7
93.07052	9.7
95.08617	9.5
105.07022	11.6
107.08587	8.9
109.10127	2.3
117.07003	7.3
119.08566	21.0
121.06516	1.5
121.10148	4.1
128.06107	1.4
129.02005	1.2
130.07742	2.0
131.07658	1.9
131.08559	34.1
133.10107	24.6
143.08521	9.9
144.09296	3.0
145.06477	3.0
145.10115	61.6
155.08525	1.6
157.10106	2.7
158.10892	25.1
159.08083	11.2
159.11668	41.4
171.08055	1.5
171.11755	1.4
172.08777	11.5
173.09642	13.4
173.13243	100.0
183.11702	5.3
186.10399	38.2
201.09071	7.3
201.12737	98.6
201.16374	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.13649	0.6
55.01878	0.9
55.05497	1.2
58.34732	0.6
59.88672	0.7
67.00107	0.6
67.05492	8.3
69.03413	3.2
69.07049	1.5
71.04979	1.5
77.42800	0.7
78.56418	0.6
79.05476	2.9
81.07056	5.4
83.62350	0.6
91.05481	6.6
93.07040	9.5
95.04961	1.5
95.08594	28.7
104.81662	0.6
105.07022	8.2
107.08545	1.2
109.06509	1.5
109.09464	0.9
109.10156	15.7
113.05986	0.9
117.07011	2.9
119.08571	20.0
123.11678	4.0
128.06190	3.0
129.06976	3.1
131.07806	1.0
131.08551	23.9
133.10117	21.3
137.09607	17.2
141.06972	1.5
142.07768	0.8
143.08534	8.5
144.09348	3.6
145.06450	3.3
145.10118	28.7
147.08101	0.9
147.11629	1.5
155.08545	1.0
155.10629	2.7
157.10136	4.4
158.07225	3.3
158.10884	27.4
159.08025	10.8
159.11681	13.9
165.09106	1.6
168.09377	1.1
171.08015	2.5
171.11703	1.3
172.08824	11.7
173.05992	0.9
173.09631	14.9
173.13237	100.0
183.11549	5.1
186.10379	30.6
201.09068	3.7
201.12723	92.2
201.16356	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	201.1486
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
55.01866	0.9
55.05519	13.0
57.07080	1.5
59.04996	1.9
59.93132	0.7
65.03942	1.2
66.66169	0.7
67.05509	25.4
69.03416	4.6
69.07067	6.7
71.04987	5.2
77.99805	1.0
79.05482	1.6
81.07060	52.5
83.04978	1.5
83.08623	16.0
85.06523	7.2
91.05481	14.1
93.04357	0.7
93.07027	12.6
95.04978	1.3
95.08605	37.5
97.06536	1.0
99.08092	5.4
103.95460	0.9
105.07040	21.8
107.08580	9.8
109.06498	1.2
109.10146	14.7
113.06009	3.3
117.07004	1.9
118.96755	1.1
119.08585	16.0
121.10133	17.3
123.08045	1.1
123.11703	100.0
127.05434	1.7
128.06244	1.3
129.06978	1.0
131.08572	7.8
133.10143	1.6
137.09618	18.5
137.13187	6.2
141.06967	2.1
143.08583	1.3
145.06578	1.5
145.10143	10.4
147.11679	52.7
155.04906	3.1
155.10626	1.4
157.10170	1.5
158.10936	0.9
159.08058	1.3
159.11693	12.5
165.09117	1.9
165.12740	28.0
169.06496	1.2
173.09608	1.0
173.13235	9.4
183.04492	1.5
183.13806	4.5
186.06682	1.5
186.10365	3.2
201.05460	37.1
201.09059	11.5
201.12752	14.9
201.16420	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.26186	0.6
55.05510	0.9
57.07053	1.0
57.49174	0.7
67.05492	1.4
69.07056	3.4
71.48365	0.6
72.39729	0.6
76.37280	0.6
76.70553	0.7
79.05484	1.1
81.07060	6.6
83.08624	1.0
91.05442	2.7
92.17915	1.5
93.07033	6.2
95.08601	10.1
105.07027	7.8
107.08589	12.8
109.10146	4.2
117.07013	6.0
118.95982	1.2
118.96742	6.9
119.08567	10.6
121.10121	4.7
126.69354	0.7
131.08559	23.9
133.10114	6.3
133.99109	1.1
141.06934	0.8
143.08627	1.0
144.09259	0.9
145.06468	0.9
145.10115	42.3
154.96419	1.0
155.08527	1.5
157.10115	3.1
159.08028	1.2
159.11673	38.9
159.97041	1.6
167.15665	0.7
170.44115	0.8
171.11717	0.9
173.09596	1.6
173.13255	17.2
177.40862	0.8
177.98030	5.4
183.11678	0.9
186.13980	2.6
201.09065	3.4
201.12819	9.5
201.16368	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05511	1.0
57.07056	1.2
65.99370	0.7
67.05492	3.7
69.07053	3.8
75.38634	0.8
79.05482	1.7
79.35326	0.9
80.40463	0.8
81.07074	12.3
84.53329	1.0
91.05479	4.3
93.07038	13.4
95.08601	15.7
105.07022	14.4
107.08607	16.6
109.10146	6.1
112.10976	0.9
117.07008	5.8
119.08575	13.9
121.10129	9.6
131.08556	24.5
131.09477	1.8
133.10117	6.6
143.08556	3.7
144.09338	3.7
145.06535	1.2
145.10121	62.3
146.10886	1.9
155.08441	1.1
157.10123	4.2
158.10881	1.8
159.08009	1.1
159.11678	53.0
172.12444	1.0
173.09683	1.1
173.13251	16.4
183.11778	1.0
186.10403	1.4
186.13896	1.1
201.09015	4.6
201.12804	16.8
201.16379	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.70400	0.9
55.05502	1.2
57.07071	1.5
61.99485	1.0
64.10516	1.1
66.26967	1.0
67.05485	5.4
69.07050	1.5
79.05497	4.2
81.07058	9.5
91.05460	5.5
92.18490	3.1
92.19008	1.1
93.07037	10.7
95.08593	12.6
105.07030	16.8
107.08604	17.1
109.10136	5.1
109.84976	1.3
117.06998	10.3
118.96741	4.7
119.08607	15.6
121.10140	8.1
130.07750	1.4
131.08569	25.0
133.10103	10.3
143.08565	1.5
145.10120	61.2
146.10857	1.7
147.11702	1.9
157.10074	2.8
158.10944	1.7
159.11687	46.5
172.12476	1.3
173.09624	5.1
173.13275	12.7
177.98065	2.3
183.11606	1.5
186.10329	1.6
199.59583	1.2
201.09100	7.5
201.12698	14.4
201.16376	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.67451	0.7
58.35096	0.7
67.05486	1.3
69.07037	1.3
81.07045	4.3
81.13486	0.7
91.05499	1.3
92.17861	1.0
93.07045	4.9
95.08595	8.0
100.40085	0.8
105.07022	5.6
107.08614	7.3
109.10149	1.1
110.49390	0.8
117.07014	3.4
119.08567	7.3
121.10152	1.4
131.08566	10.5
133.10130	10.2
144.09329	3.5
145.10121	33.9
157.10147	3.2
158.10931	1.0
159.11690	86.2
171.11620	1.6
172.12460	1.1
173.09599	1.6
173.13272	12.0
183.11743	2.0
186.14018	1.9
199.15025	1.0
201.09146	3.8
201.12856	11.1
201.16393	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18269	0.2
52.24730	0.2
63.29722	0.2
82.99834	2.4
90.56939	0.3
99.32162	0.3
101.00879	49.8
119.01911	100.0
121.02332	0.3
124.02442	11.8
137.02951	12.1
142.03493	46.6
143.01883	3.4
143.03607	1.5
160.04547	6.7
161.02945	42.3
161.04485	2.0
165.05095	0.3
176.67148	0.2
179.02330	1.2
179.03984	27.8
184.04526	2.1
202.05540	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	202.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50611	0.8
54.23320	0.8
57.03429	1.4
58.00386	0.7
60.04508	1.3
61.74181	0.8
64.96371	0.9
65.82327	0.9
68.05000	1.0
70.06593	100.0
72.04510	2.0
84.04502	6.1
84.08148	2.0
85.02907	23.9
87.00830	4.0
90.05548	7.5
94.52506	0.9
96.04456	6.5
98.06049	2.3
101.00888	2.0
108.33009	0.9
112.03967	4.0
113.01599	2.0
113.02367	46.2
113.03150	1.6
114.05528	77.6
116.07093	7.9
119.01918	6.3
124.03947	4.5
125.02340	1.2
138.05504	32.3
138.09102	1.1
142.03497	2.1
142.04990	13.1
156.06549	76.1
156.10091	1.7
156.13774	6.6
160.06036	2.1
161.02942	2.2
166.04924	4.3
174.05486	3.6
179.03876	1.5
184.06049	22.5
184.07655	1.8
184.09618	7.5
184.13316	1.1
184.70245	1.2
201.17468	1.0
202.05408	1.4
202.07141	10.3
202.10724	5.4
202.12292	3.5
202.14244	9.3
211.81795	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	202.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.07066	8.3
65.30637	1.7
67.05499	3.1
68.35928	1.5
69.07059	9.0
69.07494	1.2
69.37813	1.5
69.63223	1.6
70.02937	7.8
71.74123	1.6
72.04520	13.8
73.02920	15.9
77.88210	1.7
78.40592	1.8
81.07044	1.7
84.04526	2.6
85.06532	7.5
86.09678	4.0
87.08114	6.0
87.10036	1.6
90.05545	2.4
93.06998	1.8
94.18330	1.6
94.59286	1.6
95.04961	14.5
96.08099	2.8
98.02412	39.2
100.03990	12.5
103.07557	2.1
110.09642	1.4
110.77981	1.6
112.07597	2.4
113.05967	6.5
114.05502	1.7
116.03433	23.6
118.34131	1.5
122.46899	1.8
124.07582	33.7
130.08574	2.3
138.12775	66.6
142.05038	2.6
142.08629	35.8
156.10182	2.5
156.13829	6.6
160.09673	7.9
166.08597	3.0
172.36700	1.4
174.11263	2.4
184.09700	37.4
184.13315	61.6
202.08844	4.0
202.10730	100.0
202.12250	5.3
202.14294	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1439
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
54.11476	0.4
55.05508	5.1
56.05029	0.5
58.34048	0.4
60.36576	0.5
62.01126	0.5
63.15368	0.5
67.14998	0.5
70.06600	5.6
73.06554	8.7
84.04487	0.7
84.08144	47.7
85.02911	8.3
88.76850	0.5
98.06010	0.6
98.97567	0.8
101.00870	2.6
107.04932	0.7
110.09665	0.6
113.02359	10.4
114.05505	3.3
116.27729	0.5
119.01894	5.5
119.96895	0.6
121.06491	0.8
130.08641	28.1
137.02936	1.0
138.05484	2.5
138.09180	0.8
138.12810	5.1
142.03503	2.2
142.08656	1.0
151.42863	0.5
156.06558	7.0
156.10275	4.1
156.13835	76.6
158.99599	0.7
161.01234	0.6
161.02921	2.5
166.08603	0.6
174.07680	0.7
179.03935	1.2
184.09674	2.6
184.13318	25.3
202.05016	0.6
202.10722	4.0
202.14380	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	202.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11658	0.5
57.07081	12.2
58.06579	1.3
58.06839	0.6
62.05836	0.6
62.06094	12.5
64.38176	0.6
65.79454	0.7
71.08617	3.6
85.10166	3.6
88.78889	0.6
92.17855	0.9
133.77452	0.6
145.10146	0.9
146.10474	2.8
160.12000	1.0
184.20578	10.3
190.28770	0.6
194.65814	0.6
202.07791	1.1
202.09550	1.2
202.12457	0.8
202.16725	7.3
202.21652	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	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
52.11658	0.5
57.07081	12.2
58.06579	1.3
58.06839	0.6
62.05836	0.6
62.06094	12.5
64.38176	0.6
65.79454	0.7
71.08617	3.6
85.10166	3.6
88.78889	0.6
92.17855	0.9
133.77452	0.6
145.10146	0.9
146.10474	2.8
160.12000	1.0
184.20578	10.3
190.28770	0.6
194.65814	0.6
202.07791	1.1
202.09550	1.2
202.12457	0.8
202.16725	7.3
202.21652	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	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
57.06830	0.5
57.07082	10.4
58.06585	2.0
58.99286	0.4
59.99217	0.5
62.06092	12.0
71.08627	3.6
80.39080	0.4
85.10165	3.0
98.06079	0.6
119.95717	2.6
119.96761	0.4
162.75540	0.5
184.20586	9.6
202.10716	0.6
202.12311	2.6
202.21652	100.0
213.90726	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	203.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
78.02588	0.6
101.00870	4.1
102.00944	7.5
119.01926	7.6
120.01995	16.1
125.02516	0.9
135.48824	0.6
138.03101	1.4
138.96405	12.7
139.02383	1.0
142.03503	1.3
142.59389	0.6
143.03613	7.5
144.02092	0.7
144.03204	0.8
147.96896	0.9
156.97462	60.7
157.03427	4.0
159.47739	1.0
161.02968	3.6
161.97998	11.8
162.03064	8.1
162.04311	2.3
166.97211	0.7
168.48288	3.6
171.00223	1.6
174.98505	16.5
179.99060	100.0
180.03970	4.6
185.02979	1.1
198.00122	29.3
203.00699	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06575	6.0
81.59222	1.1
84.80682	1.3
88.90587	1.0
104.80307	1.3
111.98947	1.1
116.07070	6.4
124.50755	1.3
163.62936	1.1
172.10864	1.4
197.03677	1.2
203.05251	100.0
203.15065	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	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
58.41436	0.9
67.05482	1.0
68.65718	0.9
91.05471	1.7
92.18505	1.6
93.98440	0.8
105.07010	1.3
107.08569	3.2
115.05457	1.6
117.06993	5.8
119.08547	1.9
128.06184	4.0
129.06973	1.9
133.06490	1.2
143.08543	6.7
144.05704	0.9
145.06474	3.7
145.10106	5.2
146.07262	6.4
147.04364	4.2
147.08046	7.6
157.06511	1.0
157.10062	1.2
159.04422	1.3
159.08034	1.7
160.05276	0.9
160.08817	5.8
161.06035	1.6
161.09601	13.1
162.06714	9.5
171.08031	5.2
172.08760	1.7
172.27007	0.8
173.09515	1.0
174.06763	2.1
175.03981	1.2
175.07553	34.4
175.11151	29.0
175.44545	1.0
185.09636	3.8
188.08342	5.5
203.03346	8.9
203.07153	6.3
203.10658	100.0
208.63873	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	203.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90864	0.4
55.05515	1.0
57.07082	8.3
63.22747	0.5
70.38141	0.5
74.09722	25.9
81.03428	2.6
81.07038	0.5
83.05003	0.9
83.06108	0.7
84.04510	49.5
85.02851	0.6
91.34387	0.5
95.08606	0.7
101.06017	1.2
101.07151	5.2
102.05534	2.8
105.07014	0.8
107.05006	0.5
111.04422	1.1
116.61320	0.5
118.80432	0.6
119.08608	0.6
129.05585	0.5
129.06595	1.1
130.05002	100.0
147.07635	4.8
157.10072	0.6
157.13358	7.1
159.18240	0.6
161.09613	1.0
175.07549	1.0
175.11241	0.6
186.11237	11.4
203.03542	0.6
203.05287	1.7
203.07028	4.0
203.10770	2.1
203.13937	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	203.1391
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.71512	0.5
54.79444	0.5
65.73459	0.6
86.09702	100.0
91.05425	0.8
103.05221	0.6
115.05455	1.0
121.02802	0.8
121.06488	0.7
121.64420	0.6
132.10196	88.7
133.26938	0.6
139.13089	2.7
143.04926	2.7
145.66400	0.6
147.04460	1.4
157.07579	1.0
157.13365	9.8
161.05959	0.7
171.04420	1.3
175.07558	5.1
185.13658	1.0
203.03296	2.8
203.05232	6.6
203.07050	8.0
203.13919	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.39392	0.7
57.07074	0.9
69.07065	9.0
81.07035	4.4
91.05456	4.7
93.07033	3.4
95.08564	5.1
99.96198	1.0
105.07034	22.6
107.08576	5.5
109.10163	2.9
119.08577	36.7
121.06448	1.4
121.10098	1.7
133.06494	1.6
133.10129	34.3
133.11142	1.2
145.10138	1.9
147.08041	1.2
147.11690	24.1
160.08806	1.2
160.12451	1.5
161.09575	1.3
161.13278	1.3
175.11362	1.2
175.14821	44.4
188.11990	6.0
203.14319	100.0
203.18034	3.9
210.79196	0.9
214.51527	0.9
222.46812	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.89863	0.7
53.03941	1.4
55.01871	0.7
55.05293	0.9
55.05521	15.6
57.07103	1.0
65.03937	1.8
67.05167	1.3
67.05503	22.2
69.03095	1.3
69.03431	22.9
69.07069	6.5
77.03928	0.8
77.91213	0.8
79.05495	11.5
81.07060	50.0
82.01691	0.9
83.04980	8.7
83.08613	1.4
91.05460	9.3
92.17918	1.4
93.07048	16.3
95.04968	15.5
95.08611	7.1
97.06509	4.3
105.07021	17.9
107.04928	2.1
107.08580	8.1
109.06519	24.4
109.10183	0.8
110.06599	0.8
111.08076	1.6
117.07001	4.2
119.04912	1.9
119.08572	49.4
121.10138	19.3
131.08542	4.0
133.06409	0.9
133.10123	71.3
135.08009	3.3
142.07767	1.7
143.08607	6.3
145.10103	13.3
147.08044	24.9
147.11661	13.3
149.09621	1.1
156.09273	1.7
157.10120	6.9
159.08054	1.7
159.11661	6.5
160.08855	1.9
161.09604	36.6
161.13243	63.5
170.10881	12.5
173.09602	7.7
173.13203	1.7
174.10393	4.7
175.11157	5.1
175.14815	30.2
185.13246	15.8
188.11946	20.5
203.06868	1.0
203.10593	4.7
203.14304	100.0
203.18045	4.1
223.61548	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
54.18075	0.9
54.98164	1.0
55.05513	1.8
55.40501	1.1
59.04989	2.1
63.29962	0.9
66.49112	1.0
67.05488	1.6
69.03442	2.0
69.07056	7.4
71.04987	2.1
79.05486	4.5
81.07065	11.9
83.04977	4.5
86.49989	1.1
91.05439	6.1
93.07037	10.4
95.04952	4.7
95.08598	5.8
97.06520	6.1
105.07035	19.3
107.08589	23.7
109.06508	5.7
117.06990	7.1
119.04954	1.3
119.08581	29.9
121.02763	1.6
121.06464	1.5
121.10127	13.0
123.08035	2.4
125.09637	2.0
128.06212	1.3
128.44786	1.1
129.06976	2.4
131.08575	8.6
133.06493	2.3
133.10127	24.8
134.05991	2.0
135.08014	2.0
141.06967	1.2
142.07729	2.4
143.08588	8.8
144.09319	1.1
145.10138	24.7
147.08037	15.1
147.11652	2.5
149.09602	1.7
149.17401	1.1
156.09381	1.9
157.07626	1.3
157.10159	15.6
159.11685	28.0
160.08791	2.1
160.12465	2.3
161.09627	19.9
161.13243	48.2
170.10907	21.2
173.09605	1.7
173.13280	6.8
175.07561	7.3
175.11171	7.4
175.14896	9.8
185.09641	1.4
185.13246	31.6
188.08368	1.5
188.11940	7.6
203.03473	3.3
203.05237	4.8
203.07050	6.6
203.10791	12.1
203.14314	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	203.143
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.52422	1.0
55.18117	1.0
58.10411	1.2
66.23795	1.1
67.05511	1.2
68.81004	1.1
69.07063	2.9
74.21400	1.1
81.07037	5.9
88.03429	1.3
92.17872	2.4
93.07055	2.2
95.08595	6.2
104.38965	1.2
105.07031	17.8
107.08582	1.9
109.10149	6.7
111.96850	1.3
119.04927	9.0
119.08577	12.3
120.96533	1.4
131.08583	1.6
133.10110	6.5
135.07890	1.5
142.07770	1.5
143.08554	62.3
145.10144	5.0
147.08011	2.4
147.10698	1.5
147.11742	9.3
157.10117	23.9
159.11690	10.9
160.08824	5.0
161.09578	1.6
161.13255	4.8
170.10884	3.0
175.14822	1.7
185.09698	1.3
185.13257	22.8
203.05173	1.3
203.10916	4.2
203.14313	100.0
203.17915	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05497	1.8
60.47179	1.0
67.05493	5.6
69.07064	10.7
79.05489	2.2
81.07062	27.0
83.08585	4.9
91.05465	5.6
92.18481	3.4
93.07031	12.8
95.08598	42.1
105.07026	21.3
107.08598	25.3
109.09461	1.4
109.10157	29.3
119.07859	1.6
119.08576	22.0
121.10134	17.3
123.11695	4.7
133.10129	27.5
135.11710	4.4
145.10078	1.6
147.11676	49.0
159.11630	2.2
160.12419	2.3
161.13240	21.5
166.88493	1.1
175.14799	7.4
179.59315	1.3
203.17955	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05498	4.6
62.72707	0.9
67.05484	7.0
69.07069	13.1
73.01065	0.9
73.19479	1.0
78.53151	1.0
79.05473	5.5
81.07058	27.8
83.08619	4.1
91.05460	12.2
93.07059	9.4
95.08598	23.1
95.99243	1.2
105.07021	29.3
107.08589	20.3
109.10137	21.9
115.04630	1.2
119.07751	1.6
119.08572	28.7
121.10111	11.5
123.11681	7.1
131.08560	1.6
133.06339	1.2
133.10107	35.8
135.11665	5.2
143.08614	1.5
145.10097	1.9
147.08049	1.8
147.11674	82.5
159.11667	5.5
160.12421	5.7
161.09554	1.3
161.13235	22.0
175.14784	4.5
185.13353	1.8
203.06998	4.0
203.10710	3.9
203.14304	13.5
203.17937	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	204.1232
Annotation	Acetylcarnitine
Peak:m/z	Relative Intensity
51.59103	0.3
52.95795	0.3
56.96571	0.3
57.03456	0.5
60.07864	0.5
60.08168	13.5
67.50910	0.3
73.32984	0.3
73.50902	0.4
85.02904	100.0
92.23357	0.3
94.65842	0.3
129.92979	0.4
144.10202	3.3
145.04967	10.3
204.12294	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	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
60.08175	12.3
63.50499	0.3
70.27940	0.3
70.95875	0.4
77.81208	0.3
85.02910	100.0
87.48528	0.4
97.98916	0.4
101.01750	1.4
135.03084	0.5
144.03627	0.4
144.10240	2.9
145.04970	9.0
153.04173	0.7
172.04906	0.6
204.05736	0.7
204.12317	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	204.1384
Annotation	Crotamiton
Peak:m/z	Relative Intensity
63.90328	0.2
79.00398	0.3
79.40670	0.2
82.83932	0.2
84.04481	0.4
90.44820	0.3
91.02234	0.2
96.04459	0.5
97.02857	0.3
112.57645	0.2
114.05512	0.3
126.05480	1.3
156.58395	0.3
174.09151	0.4
188.10680	1.5
189.11458	5.3
204.13829	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	205.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92452	1.2
56.96555	7.4
59.63238	1.1
60.08152	1.2
63.92933	5.7
67.56046	1.3
78.95278	26.6
82.99864	1.5
85.02906	14.4
86.03242	9.9
98.97581	8.0
100.99130	3.1
101.00874	27.4
108.67709	1.4
113.00895	1.3
115.40937	1.5
119.01905	21.3
119.97878	50.5
122.94220	14.7
127.02408	2.6
133.03453	5.0
140.95244	23.4
141.71826	1.3
143.01875	14.7
145.01723	1.6
145.03473	10.4
157.03487	11.2
158.96265	12.2
161.02953	21.0
163.02780	5.1
163.04509	13.9
163.96835	73.6
175.04520	8.3
181.05554	5.5
181.97878	27.1
187.04559	5.4
205.05573	100.0
205.06862	25.3
205.12640	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	205.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
101.00829	1.6
111.31955	1.4
118.88063	1.2
119.01877	1.4
140.49857	1.2
154.63699	1.4
187.68193	1.4
205.06871	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	205.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	0.4
55.05509	0.1
55.45523	0.1
57.07080	28.8
58.61747	0.1
59.52372	0.1
65.03940	2.2
67.05515	0.1
69.07075	0.3
72.93793	0.5
79.05494	0.1
81.07066	1.1
83.08623	0.1
85.70390	0.1
90.94820	0.2
93.03442	0.7
93.07038	1.0
95.08601	0.5
97.02869	0.1
97.10169	0.1
102.11791	0.1
107.08630	1.0
108.95837	0.1
109.10172	0.8
111.04419	0.4
113.96394	4.8
121.02860	6.4
121.03961	1.3
121.06511	0.2
121.10126	2.2
123.11697	3.6
131.08540	0.1
131.97441	1.7
135.11679	2.0
149.02335	100.0
149.13257	0.9
149.14273	0.1
154.99025	0.5
162.10307	0.1
163.11015	0.1
167.03377	0.5
177.12743	0.2
187.07513	0.1
190.04974	0.2
205.10422	0.1
205.12202	0.4
205.15868	0.1
205.19550	0.7
219.39520	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	205.0859
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
57.07065	0.7
57.85143	0.7
59.31275	0.7
79.05500	0.7
81.03388	0.8
91.05478	7.0
93.07025	4.6
95.08566	1.0
97.02866	0.9
105.07033	15.5
107.04939	1.1
107.08577	1.6
109.02871	0.9
113.96378	1.1
115.05392	0.8
117.06995	4.6
119.08556	5.0
119.97815	1.5
121.06495	5.0
121.10117	1.9
122.75365	0.8
128.06187	3.3
131.08563	15.7
133.06485	1.0
133.10088	3.0
135.08035	3.0
143.08534	3.8
145.06505	5.5
145.10107	4.5
149.02348	7.3
149.05934	1.5
149.09616	4.3
159.08032	13.5
159.11684	8.5
161.05972	4.0
161.09602	3.4
161.13248	1.4
163.07512	6.7
163.11118	1.8
163.96822	1.9
169.06638	0.9
177.05548	1.6
177.09091	18.5
187.07515	12.9
187.11171	4.6
190.06201	2.9
205.05026	3.6
205.08592	100.0
205.12019	10.2
205.15836	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	205.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35090	0.5
61.17491	0.5
62.94952	0.5
66.17673	0.5
70.58630	0.6
72.55323	0.6
91.05474	1.0
97.02889	0.7
115.05445	12.2
117.07021	21.5
118.06542	8.3
121.06508	2.5
129.06985	1.2
130.06528	0.7
131.04942	3.0
132.08119	3.5
142.06520	1.0
143.04926	2.7
144.05710	3.4
144.08070	10.0
145.06485	20.6
146.06001	45.0
147.08044	2.3
149.02396	0.6
149.05956	1.1
149.09648	2.3
159.09207	5.4
160.05182	24.2
161.05951	5.0
162.06734	1.1
163.07549	1.4
170.06029	3.3
173.05956	10.4
175.07538	100.0
177.05458	2.5
177.09100	17.8
187.07555	4.0
188.07062	42.6
190.06268	1.0
205.08559	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	205.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66948	0.6
54.13391	0.6
55.01876	1.7
55.06140	0.8
57.07073	1.3
59.55257	0.8
65.72074	0.8
72.93789	4.3
79.05497	1.0
90.94824	1.6
91.05474	3.6
92.17970	0.8
93.07025	1.6
105.07025	1.2
107.01292	1.6
107.04970	3.5
107.08593	3.8
109.10147	0.8
113.95614	1.6
113.96394	35.5
115.05453	3.1
117.07015	16.2
119.08614	0.8
121.06502	21.7
121.10122	1.1
131.97430	10.1
133.06514	1.0
135.08052	23.9
141.07028	0.8
142.25287	0.8
143.23781	0.8
145.06482	100.0
145.10161	2.8
149.02356	9.7
149.13300	1.4
154.99088	2.6
163.07535	89.2
164.07968	1.1
164.56546	0.8
181.97806	0.9
205.08571	20.5
205.10213	1.9
205.12280	3.2
205.14104	1.1
205.15936	1.2
205.19536	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.67403	0.4
56.85488	0.4
72.66408	0.5
74.02434	1.0
91.05482	0.8
98.24277	0.4
117.07016	0.9
118.06535	15.7
126.80605	0.5
130.06500	2.1
132.08073	7.4
142.06529	2.2
143.07304	2.2
144.08083	17.4
146.06000	100.0
159.09149	11.1
160.07562	1.2
170.06007	6.4
188.07056	84.4
189.34056	0.5
205.09709	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	205.1222
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.92406	0.8
79.05509	0.9
81.07037	1.3
90.92278	0.9
91.05463	8.1
93.07022	5.9
95.08607	1.1
103.05498	1.1
105.07032	22.7
107.08585	5.6
113.06014	1.4
113.96396	4.4
115.05433	1.1
117.07007	19.6
119.08572	46.2
121.06498	4.1
121.10109	3.8
128.06157	1.1
129.07016	2.0
130.07776	12.6
130.16887	1.0
131.08568	1.3
133.10101	1.6
135.08037	1.7
135.11690	3.7
137.26703	0.9
143.08566	6.1
145.06505	2.1
145.10117	100.0
147.08037	9.9
148.89064	1.0
149.02370	1.7
159.11707	6.2
161.09596	6.4
163.07527	1.3
163.11159	36.1
164.11504	2.0
177.12726	1.3
187.11176	5.9
190.07826	1.0
205.10170	4.1
205.12215	39.8
205.14143	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	205.1224
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
50.43058	0.4
65.94637	0.4
72.54899	0.4
73.24413	0.5
74.08066	0.4
81.03427	0.8
81.07045	0.9
83.08566	0.4
85.02936	0.8
87.95700	0.4
91.05476	4.5
93.07041	26.3
95.04964	1.8
95.08630	0.5
97.02889	0.6
105.07027	2.6
107.08595	2.2
109.06509	0.7
117.07056	0.5
119.08566	2.0
121.06496	100.0
121.10101	0.9
131.04877	0.8
131.08577	3.1
133.10100	0.7
135.08058	0.8
135.11642	1.0
144.09334	2.7
145.06509	0.5
145.10100	3.3
146.06030	0.4
147.11673	2.8
149.02357	0.9
149.06013	0.5
149.09581	0.7
159.04398	0.8
159.08025	1.1
159.11690	10.0
159.12898	0.8
161.09654	0.4
161.13300	0.5
163.11122	3.6
172.08833	0.7
177.09184	0.5
177.12776	1.9
187.11163	7.0
187.14709	0.8
205.04939	2.6
205.08658	1.8
205.12227	25.5
205.15831	2.5
205.17599	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	205.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79056	0.7
66.81113	0.6
67.05487	0.8
81.07024	3.0
91.05482	7.7
93.07047	7.0
95.04915	0.6
96.44243	0.6
105.07029	25.3
107.08594	5.4
113.05963	0.8
115.05435	1.4
116.06215	0.7
117.07009	21.4
119.08572	45.4
121.06471	3.8
121.10117	3.3
128.06181	1.2
129.06964	3.5
130.07771	15.9
131.08546	1.3
133.10092	1.0
135.08025	0.9
135.11719	6.2
143.08551	8.0
145.10117	100.0
147.08052	7.9
159.11720	5.6
161.09595	5.0
163.11160	41.0
163.12560	1.0
164.11501	1.2
169.10045	1.0
177.09117	1.1
177.12822	0.8
187.11192	4.9
205.10126	4.9
205.12201	37.1
220.88446	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	205.1225
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.02396	0.3
53.03955	0.5
55.01883	0.3
55.05531	0.3
55.86543	0.2
57.07072	0.3
65.03950	0.2
67.05497	0.3
69.03411	0.8
69.07081	0.2
74.93622	0.2
77.03923	0.8
79.05486	1.0
81.03422	0.5
81.07060	0.3
83.05012	0.3
85.02899	0.8
85.06548	0.5
86.93237	0.2
91.05480	7.7
93.07041	42.8
95.04967	2.9
97.02907	0.9
98.80953	0.2
99.04458	0.4
99.13490	0.2
103.05478	1.1
105.04523	1.3
105.07037	1.7
107.04991	0.4
107.08576	1.3
109.02879	0.9
109.06538	0.3
115.05740	0.2
117.07012	1.4
118.06512	0.3
119.04887	0.3
119.08575	1.3
119.97845	0.5
121.06501	100.0
122.94237	0.3
127.07605	0.3
131.04904	0.4
131.08559	1.7
133.06483	1.1
135.08060	0.9
135.11691	0.5
140.92931	0.2
144.08186	0.3
144.09352	1.1
145.06471	1.2
145.10120	1.8
146.05991	2.2
147.08032	0.4
149.02368	1.6
149.13257	0.3
159.08032	0.5
159.11690	3.8
161.05960	1.4
161.09579	0.3
163.11154	2.0
163.96819	0.5
170.22551	0.2
175.07440	0.3
177.05432	0.4
177.12810	1.6
181.97905	0.4
187.07513	0.5
187.11162	1.5
188.07065	1.8
192.04274	0.2
205.04979	2.0
205.06828	0.3
205.08578	1.8
205.12213	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	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.55767	0.2
54.28085	0.2
55.05510	1.4
57.07084	12.6
60.96448	0.2
65.03939	1.9
67.05509	2.1
69.07065	2.2
71.08650	0.2
72.93796	2.2
79.05495	3.0
81.07066	4.5
83.04926	0.3
83.08623	0.5
90.94829	1.2
91.05469	1.5
93.03414	0.3
93.07055	5.1
95.04953	0.4
95.08609	5.1
97.02881	0.4
97.06523	2.9
97.10174	1.4
105.06994	1.4
107.08594	4.7
109.06505	1.1
109.10146	4.6
111.04463	0.2
111.08027	0.4
111.11711	0.3
113.47539	0.2
113.96399	21.2
117.06976	0.6
119.08564	1.7
121.02858	6.5
121.03947	1.2
121.06513	0.6
121.10134	13.1
123.08058	1.0
123.11687	1.7
125.03266	0.3
125.63761	0.3
127.05894	0.3
131.08565	2.2
131.97444	6.1
133.10156	0.4
135.08028	0.5
135.11702	2.8
136.08762	0.4
137.09581	0.3
143.40485	0.3
145.10121	3.9
147.11662	0.4
149.02341	100.0
149.09627	0.5
149.13278	4.9
154.99071	1.9
159.11676	1.3
161.13280	0.5
163.11150	1.3
167.03294	0.3
177.12788	0.4
179.50462	0.3
187.14815	9.4
205.08762	0.4
205.12271	1.4
205.15884	19.2
205.19444	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.02400	0.5
55.05525	2.9
56.20881	0.5
57.07086	11.0
65.03957	1.0
67.05516	3.4
69.07069	8.5
72.93816	0.8
79.05506	3.8
81.07059	35.4
83.08601	4.1
91.05514	1.0
92.17894	0.5
93.07045	19.7
95.08601	14.9
97.10186	3.3
105.07038	0.9
107.08591	17.6
107.09259	0.8
109.10158	14.5
111.11720	0.8
113.96397	13.7
121.02857	5.0
121.04044	0.8
121.10143	92.2
123.11707	7.5
131.97456	3.0
135.11703	10.9
149.02341	100.0
149.13248	34.8
149.14445	1.0
163.14888	2.9
164.05673	0.6
205.19513	20.6
209.12247	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	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05515	3.6
57.07074	4.7
65.03939	0.6
67.05521	4.0
69.07074	10.8
71.08621	0.6
79.05505	4.7
81.07061	38.7
83.08614	3.7
90.57034	0.5
91.05502	1.0
91.22876	0.6
93.07049	26.9
95.08608	18.9
97.10157	3.9
105.07053	0.9
107.08595	19.7
109.10161	16.3
111.11749	0.7
113.57516	0.5
113.96399	7.7
121.02872	1.2
121.10143	100.0
123.11729	6.7
131.97427	1.2
132.27313	0.6
135.11702	15.6
149.02341	33.9
149.13257	33.6
149.14268	0.6
163.14825	3.3
205.19511	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
54.03028	1.9
55.05511	8.6
57.07069	10.0
67.05499	10.1
67.33783	1.9
69.07068	32.6
79.05498	3.6
81.07056	18.0
83.08601	10.0
93.07040	23.4
95.08606	29.6
97.10160	12.9
107.08596	39.6
109.10162	53.3
111.11758	3.2
121.10130	36.9
123.11712	42.4
126.17722	2.1
135.11693	68.9
137.13243	5.3
149.13249	92.8
163.14790	24.5
187.53046	2.8
205.19528	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	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05518	11.8
57.07093	9.3
60.60476	1.1
62.42512	1.1
67.05506	14.2
68.18519	1.2
69.06716	1.9
69.07062	22.7
71.08640	2.3
73.03009	1.1
79.05480	8.4
81.07059	31.7
81.07532	2.2
83.08604	11.7
84.72515	1.4
91.05486	2.1
93.07048	39.4
95.08018	2.6
95.08602	65.5
96.96146	1.3
97.10176	11.9
105.06988	2.3
106.86980	1.6
107.08583	44.7
109.09455	2.5
109.10153	57.2
111.11723	3.1
113.96372	11.7
117.07014	1.5
119.08550	3.2
121.06473	2.0
121.10143	45.4
123.11703	37.2
131.97414	1.8
135.11690	75.7
137.13237	6.8
145.10078	10.0
147.11670	5.2
149.02319	7.0
149.13251	96.4
159.11694	1.3
163.11089	3.8
163.14742	15.8
177.16368	1.8
187.11075	1.6
205.10112	9.7
205.12236	5.1
205.15962	3.1
205.19510	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	206.0449
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
50.33617	0.3
50.55882	0.3
56.96574	0.5
67.55732	0.3
69.85947	0.3
70.56692	0.3
71.24299	0.3
73.02933	0.4
80.30409	0.3
81.03384	0.4
91.05456	0.7
95.04990	0.4
101.00900	1.5
104.93573	0.4
105.03420	0.6
119.01923	7.4
124.02417	1.7
137.02951	1.6
142.02437	0.8
142.03494	15.2
144.13850	0.7
147.04312	0.4
150.05457	0.4
160.04526	2.0
164.97214	0.9
178.04987	100.0
188.09186	0.5
190.77855	0.4
192.93098	0.4
206.04482	49.9
206.11876	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	206.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02934	0.3
87.00832	3.0
93.07036	0.7
103.05472	6.0
108.00863	0.4
109.07808	0.3
118.06534	16.6
120.08100	100.0
146.06006	13.2
160.94511	0.3
163.60353	0.3
180.94048	0.3
188.07065	11.4
206.08124	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	206.1025
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01868	2.0
55.05511	1.5
55.88044	0.9
56.05035	1.0
56.65213	0.8
56.96556	1.5
57.03432	6.9
57.07067	0.9
58.06598	0.9
59.04989	1.7
60.04521	1.6
64.70025	0.9
67.05505	2.1
68.74821	0.9
69.03410	5.6
70.02947	5.6
71.01331	1.5
71.04664	1.3
71.04994	17.4
72.04517	25.4
73.02927	13.7
73.06548	1.3
74.06085	1.9
81.03416	5.3
83.05048	1.2
84.04510	8.3
85.02876	1.4
85.06527	4.4
86.03681	7.5
86.06037	1.1
89.06041	14.5
90.05553	100.0
90.22372	1.2
91.05467	6.8
92.18473	1.1
94.69075	1.0
95.05040	1.3
96.08126	2.6
97.02872	1.4
98.02422	16.4
98.03029	1.7
98.06054	1.6
99.04455	20.1
100.03962	10.4
100.05222	1.7
100.73205	1.1
101.00861	7.0
104.92509	1.1
109.02895	4.5
110.06068	7.4
114.05515	1.2
116.03445	12.9
116.07067	2.6
117.05477	2.3
119.01907	16.8
119.04904	3.7
119.97926	1.4
124.02440	4.6
124.07584	6.1
124.09554	1.0
127.03120	1.3
127.03992	1.3
128.02332	1.7
128.04073	1.7
128.07088	30.0
137.02925	1.9
140.07082	1.9
142.03505	34.4
142.08655	8.7
146.08119	13.4
147.63924	1.1
151.02275	1.2
152.07057	4.3
158.08107	1.4
160.04454	5.8
160.06017	1.5
160.09674	21.9
160.13319	8.9
167.03783	1.5
170.08128	28.4
178.04962	25.8
182.99591	2.3
188.09175	77.3
189.05858	2.4
199.04440	1.3
206.04428	13.9
206.08244	9.7
206.10234	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00130	1.7
73.37362	2.3
92.17857	2.9
93.75430	1.9
111.29099	2.2
142.03491	3.4
176.58907	2.0
191.08530	35.6
205.10127	12.1
206.10867	100.0
206.12820	3.5
221.38724	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	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85680	0.7
71.04990	25.9
89.46963	0.8
91.05476	22.9
98.53786	0.9
101.00870	5.2
107.43484	1.1
118.06535	70.6
119.01914	17.4
119.04932	36.9
124.02454	5.2
136.07573	100.0
137.02960	1.3
142.03477	34.3
147.04457	1.5
160.04620	6.2
165.05278	1.6
191.08551	5.9
206.10912	14.7
206.19121	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	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	23.0
84.15665	0.9
91.05485	19.8
99.79868	0.9
101.00887	8.8
107.67236	0.8
114.70473	0.9
118.06539	66.2
119.01918	29.0
119.04939	34.9
124.02451	11.0
136.07576	100.0
137.02977	2.1
142.03502	70.1
147.04424	1.2
160.04529	8.2
165.05231	4.2
191.08513	4.0
206.10699	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	206.1542
Annotation	Diethylpropion
Peak:m/z	Relative Intensity
57.03428	0.8
59.56814	0.5
60.52317	0.5
62.35596	0.5
67.05470	0.6
79.05490	2.5
81.07070	7.1
91.05491	0.7
94.06544	1.0
95.85257	0.6
96.70599	0.6
101.00869	3.8
105.07005	1.4
107.08621	1.1
110.06047	0.6
115.65464	0.6
117.07018	0.8
118.06490	0.9
119.01922	12.8
119.04868	1.1
119.08545	3.9
120.08103	0.6
121.10151	0.5
122.09657	3.6
124.02451	3.5
124.07601	5.5
125.08320	2.9
126.09178	1.3
133.10136	3.3
134.09651	2.4
136.07555	2.5
137.02965	2.4
137.08363	0.7
138.09145	40.1
142.03499	29.8
142.04622	0.9
147.04413	1.2
147.08009	1.0
148.07584	2.9
150.09138	10.0
150.12769	1.4
151.09926	16.8
157.20863	0.7
160.04578	2.5
161.13376	0.7
162.09143	9.3
163.09909	0.8
164.10718	4.5
165.05138	2.4
176.10712	3.3
177.11461	8.7
178.05046	0.7
182.81439	0.6
188.14279	0.9
189.12746	0.8
191.08540	3.8
191.12816	0.6
206.11023	11.8
206.15398	100.0
206.19096	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	206.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.5
55.71356	0.9
57.07082	1.7
58.54417	0.9
67.05505	3.9
67.45061	1.0
68.05816	1.1
69.07073	12.1
70.07406	6.3
79.05488	5.2
80.05816	3.5
81.07058	36.3
82.07396	20.2
83.08626	3.8
84.08998	1.3
90.32159	0.8
91.05516	1.5
93.07040	19.8
94.07378	23.7
95.08593	14.9
96.08927	14.5
97.10169	4.5
98.10519	1.2
101.00888	3.8
105.07021	1.0
107.08594	16.8
108.08926	16.9
109.10146	11.1
110.10474	13.3
113.96375	2.3
114.96548	1.0
119.01924	14.7
121.10140	61.0
122.10475	100.0
123.11664	7.2
124.02435	3.9
124.12042	8.5
135.11697	9.3
136.12035	18.4
137.02940	2.1
142.03494	36.0
149.13239	14.9
150.13586	44.6
160.04521	4.5
164.15178	3.7
165.05278	1.4
187.16776	0.9
206.10535	4.5
206.14047	1.0
206.19865	35.4
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	Unknow
Peak:m/z	Relative Intensity
50.96037	0.4
53.31134	0.5
55.01867	2.7
71.92143	0.5
74.16897	0.4
79.05471	0.6
80.04372	0.5
86.28428	0.5
91.05473	5.8
93.07037	0.8
95.04916	0.7
95.08579	0.6
102.29159	0.5
103.05462	1.0
105.07021	4.5
107.04952	6.2
107.08549	0.8
109.06532	0.5
111.04446	0.6
115.05447	3.6
115.07568	0.6
117.07024	0.7
118.04115	0.6
119.01894	0.5
119.04948	3.3
119.08559	3.2
121.06487	5.3
121.10130	0.7
123.04420	20.0
123.05308	0.7
123.08026	0.7
128.06221	1.8
129.06996	6.9
131.04881	3.3
131.08536	0.7
133.06491	4.7
133.10155	0.7
135.08046	1.2
137.02318	0.9
137.05963	1.8
143.04901	4.5
143.08603	1.0
145.06544	1.6
146.07271	4.6
147.04396	8.6
147.08035	7.2
147.11667	0.8
148.05164	3.9
149.05959	1.9
149.09622	1.1
151.07561	2.0
157.06467	3.2
157.72771	0.6
159.04387	0.9
161.05966	100.0
161.09586	20.8
163.07507	5.0
164.08325	0.5
165.05467	3.1
174.06761	3.2
177.05475	3.5
179.06992	7.0
179.10709	0.7
189.05537	3.3
189.09088	20.9
189.12737	0.9
192.09348	1.0
199.13603	0.5
201.25471	0.4
207.06499	11.2
207.08296	1.0
207.10097	12.2
207.11829	2.2
207.13911	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	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.96037	0.4
53.31134	0.5
55.01867	2.7
71.92143	0.5
74.16897	0.4
79.05471	0.6
80.04372	0.5
86.28428	0.5
91.05473	5.8
93.07037	0.8
95.04916	0.7
95.08579	0.6
102.29159	0.5
103.05462	1.0
105.07021	4.5
107.04952	6.2
107.08549	0.8
109.06532	0.5
111.04446	0.6
115.05447	3.6
115.07568	0.6
117.07024	0.7
118.04115	0.6
119.01894	0.5
119.04948	3.3
119.08559	3.2
121.06487	5.3
121.10130	0.7
123.04420	20.0
123.05308	0.7
123.08026	0.7
128.06221	1.8
129.06996	6.9
131.04881	3.3
131.08536	0.7
133.06491	4.7
133.10155	0.7
135.08046	1.2
137.02318	0.9
137.05963	1.8
143.04901	4.5
143.08603	1.0
145.06544	1.6
146.07271	4.6
147.04396	8.6
147.08035	7.2
147.11667	0.8
148.05164	3.9
149.05959	1.9
149.09622	1.1
151.07561	2.0
157.06467	3.2
157.72771	0.6
159.04387	0.9
161.05966	100.0
161.09586	20.8
163.07507	5.0
164.08325	0.5
165.05467	3.1
174.06761	3.2
177.05475	3.5
179.06992	7.0
179.10709	0.7
189.05537	3.3
189.09088	20.9
189.12737	0.9
192.09348	1.0
199.13603	0.5
201.25471	0.4
207.06499	11.2
207.08296	1.0
207.10097	12.2
207.11829	2.2
207.13911	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	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.01854	0.3
55.05507	1.3
55.67654	0.2
57.07071	0.3
63.30245	0.2
67.05512	2.1
69.03435	0.5
69.07052	0.6
71.05001	1.0
71.80553	0.3
71.94500	0.2
79.05482	0.6
81.07047	1.1
83.04964	0.6
85.06552	0.7
91.05478	7.6
93.07040	2.1
95.04963	1.2
95.08602	15.3
95.09209	0.6
97.06480	0.4
103.05464	1.2
105.07031	6.1
107.04956	2.1
107.08593	3.8
109.06536	1.2
109.10130	0.5
111.08047	0.3
113.05993	0.5
115.05429	0.5
115.25903	0.3
115.26754	0.3
115.96429	0.4
116.06236	0.3
117.07018	1.2
118.04163	1.2
119.04950	3.1
119.08581	8.2
120.02096	0.3
121.02850	1.2
121.06488	2.5
121.10120	3.2
121.97539	0.5
122.37442	0.3
123.08066	12.4
123.11690	1.2
128.06238	1.3
129.06996	9.5
131.04893	3.2
131.08585	3.0
132.05725	0.5
133.06424	2.1
133.10143	1.6
135.11670	0.5
137.05975	1.2
137.09622	1.6
137.13278	0.4
143.08595	0.7
145.06493	1.7
145.10144	0.6
146.03606	0.4
146.07257	4.6
147.04430	0.6
147.08040	10.6
147.11682	3.8
148.05179	4.2
149.09613	8.5
151.03818	0.5
151.07559	2.9
151.14796	0.4
155.06052	0.4
157.06485	6.3
158.07289	1.3
159.08069	0.5
160.08771	0.3
160.43330	0.3
161.05971	100.0
161.09598	24.2
161.13194	4.5
162.06760	0.4
163.07550	2.7
163.11113	0.4
165.05466	1.6
165.09108	0.7
165.12741	2.7
165.96539	0.6
171.11690	0.7
174.06760	4.7
174.10410	0.5
177.05466	0.3
179.07034	3.0
179.08476	0.5
179.10661	1.4
179.14355	0.4
183.97490	0.4
189.09097	33.0
189.12706	4.5
192.09393	1.5
207.06400	3.5
207.08116	1.4
207.10156	10.8
207.11757	3.1
207.13815	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	207.1017
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
59.03244	0.3
61.26568	0.3
63.18727	0.3
64.81737	0.4
67.05492	0.4
74.83119	0.4
75.54546	0.5
91.05458	2.4
93.07012	0.4
93.45950	0.3
105.07033	5.7
107.08588	0.7
115.96403	0.9
117.07013	0.4
119.04941	0.7
119.08506	0.5
121.06518	0.7
123.08060	0.6
129.07018	0.6
131.04967	0.6
131.08566	2.2
133.06409	0.5
133.10123	1.7
145.06462	0.9
146.07253	4.2
146.96338	0.4
147.08041	0.7
149.09653	1.7
159.08086	0.5
161.09605	46.3
168.32072	0.4
174.06741	3.8
179.06982	1.5
179.10652	0.6
189.09099	100.0
192.09344	7.9
207.10147	33.2
207.11763	10.3
207.13699	1.0
208.59773	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	207.1168
Annotation	1,4-Dimethylphenanthrene
Peak:m/z	Relative Intensity
51.32950	0.2
66.83912	0.2
67.96207	0.2
89.86655	0.3
96.11961	0.3
109.06510	0.3
115.05441	1.5
115.96446	2.0
117.48653	0.3
123.08044	0.3
127.42925	0.3
129.06987	1.2
135.08023	0.4
137.09605	0.7
143.03545	0.6
165.06995	1.4
166.07733	0.4
178.07724	1.7
179.08487	2.6
191.08516	2.7
192.09323	42.4
206.10722	0.6
207.11661	100.0
211.08614	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	207.1169
Annotation	1,4-Dimethylphenanthrene
Peak:m/z	Relative Intensity
71.48725	0.3
85.02885	1.6
95.08580	0.5
105.07009	0.5
107.08557	0.4
119.08536	0.5
123.11662	0.4
129.06961	0.7
133.10158	0.4
147.08002	0.4
161.05956	0.5
161.09560	0.4
165.06952	1.4
167.08461	0.6
178.07677	0.4
179.08508	2.0
189.09142	0.7
190.07780	0.4
191.08556	5.2
192.09322	62.2
205.10068	1.6
206.10811	0.4
207.11673	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05514	3.2
64.27306	0.9
67.05508	17.4
69.07054	4.8
71.04985	1.3
71.52105	0.7
74.74342	1.0
77.03927	3.8
79.05047	1.2
79.05492	35.9
81.07054	14.9
83.08634	0.9
85.06528	1.2
87.00444	0.8
91.05475	30.1
93.07037	100.0
95.04957	7.0
95.08575	4.1
97.06541	1.6
105.04496	1.7
105.07031	18.3
107.08585	9.3
108.73206	0.8
109.06539	1.4
117.07001	3.2
119.08559	10.8
121.06461	1.9
123.07999	1.9
127.07562	1.1
129.06992	6.8
133.10129	4.2
143.08559	5.1
144.57014	0.9
145.10141	8.2
147.07977	1.3
147.11674	57.7
153.43774	0.8
161.09607	3.7
161.13206	8.2
171.11673	20.6
189.12717	11.2
192.09459	1.6
207.11662	7.3
207.13794	22.6
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
53.90453	0.4
54.58841	0.3
55.05508	0.7
56.96561	0.8
62.23512	0.4
67.05506	4.9
69.03392	0.4
69.07050	2.7
71.04985	0.7
77.62543	0.4
79.05492	7.9
80.94965	0.4
81.03413	0.4
81.07052	3.7
85.06558	0.6
91.05475	8.1
93.07034	9.8
95.04964	0.7
95.08588	2.4
97.06546	0.5
105.04521	0.5
105.07016	9.5
107.08586	2.3
109.06536	0.9
109.10120	0.6
111.08035	0.5
115.96429	17.0
116.97194	1.6
117.06992	0.9
119.01903	0.7
119.04953	1.9
119.08568	7.8
120.02015	0.6
121.06461	3.5
121.10147	2.0
123.08036	1.7
124.99173	0.4
128.97797	0.6
128.98808	0.4
129.06985	3.5
133.10127	3.0
133.97464	3.7
135.08081	0.4
135.11714	0.5
139.07556	0.6
141.57724	0.4
143.00122	0.7
143.03584	3.1
143.08575	2.0
145.10124	8.4
147.04396	0.5
147.08047	1.8
147.11678	100.0
149.09639	1.7
154.56657	0.5
161.01236	0.6
161.09724	0.7
161.13226	5.6
163.06963	0.7
163.11137	0.6
163.57135	2.3
165.99162	0.7
171.11671	11.5
184.00175	1.9
189.12724	20.4
189.16371	0.6
192.09312	4.7
207.02827	0.5
207.08371	0.5
207.11716	7.8
207.13811	35.6
228.53072	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.85254	1.1
55.05513	1.3
67.05514	4.3
74.23505	1.2
75.27192	1.3
79.05487	6.3
81.07054	4.3
81.46324	1.2
90.43209	1.5
91.05455	7.3
93.07053	8.4
95.08597	5.2
101.17888	1.2
105.07032	7.0
107.08595	5.9
113.96387	2.0
115.96439	40.0
116.97214	2.3
119.08572	7.6
120.02024	5.0
123.08038	6.4
129.06953	1.8
133.10130	2.7
133.97458	9.0
142.03529	2.3
143.03632	7.1
145.10112	5.8
147.11678	100.0
149.09639	2.6
151.07494	1.4
161.09561	1.6
161.13257	6.2
165.99239	1.5
171.11671	10.5
184.00073	1.7
189.12692	16.3
192.09378	6.8
207.11745	14.1
207.13812	43.4
207.17513	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.23877	1.5
55.05535	1.2
58.43711	1.5
63.20522	1.3
67.05495	5.7
70.26342	1.3
71.04977	1.9
79.05492	12.3
81.07059	8.7
91.05482	11.0
93.07040	20.1
95.04935	1.8
95.08581	7.6
96.25310	1.3
105.07019	15.3
107.08598	5.8
109.10137	1.5
113.96374	1.6
115.96439	49.9
116.97224	6.2
119.01920	3.0
119.08556	10.6
120.02019	3.3
121.06522	2.7
121.10134	2.9
123.08044	5.5
129.06984	2.7
133.06438	1.7
133.10107	2.3
133.97472	6.9
135.11693	1.5
137.05981	2.8
139.03876	2.5
142.03534	2.3
143.03596	11.7
143.08597	2.3
145.10103	8.5
147.08011	2.2
147.11681	100.0
151.07494	1.6
161.09634	1.9
161.13269	9.8
165.05443	6.6
171.11684	12.3
184.00182	2.2
189.12727	17.6
192.09349	7.6
207.10097	7.7
207.11774	9.0
207.13808	37.9
207.17389	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.85658	0.7
53.03948	2.0
55.05504	5.1
63.18619	0.8
63.48096	0.7
65.03929	0.9
67.05509	20.0
69.07056	6.6
70.47608	0.7
71.04970	1.1
77.03939	1.9
79.05492	44.1
81.07059	16.7
83.04984	1.4
83.08622	3.3
85.06519	1.3
88.61603	1.0
91.05476	32.8
92.17562	0.8
93.07039	100.0
94.08959	0.9
95.04977	11.8
95.08607	9.3
97.10147	0.9
104.57899	0.8
104.64304	0.7
105.04517	3.3
105.07034	18.2
107.08592	9.8
108.07623	0.8
108.42097	0.8
109.06519	4.5
112.07153	0.8
115.96455	1.6
117.07020	1.8
117.93814	0.8
119.08566	13.9
121.06515	1.1
121.10148	0.8
123.08041	4.3
127.07534	1.4
129.07002	7.7
133.10130	7.6
141.09163	1.0
143.08536	5.4
145.10086	9.5
147.08031	2.0
147.11682	58.5
161.09596	4.0
161.13225	9.1
171.11676	24.5
189.12758	11.0
192.09352	9.1
199.47211	0.7
207.11668	16.7
207.13808	32.0
207.15704	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05503	2.7
55.38657	0.6
57.03440	0.9
57.07074	3.7
59.04993	1.4
59.93869	0.6
61.56526	0.7
65.03935	0.8
67.05178	0.9
67.05511	17.5
69.03414	3.8
69.07047	1.3
71.04991	3.9
78.96287	0.7
79.05470	1.7
81.07049	4.8
83.04990	3.2
85.02917	1.0
85.06544	8.2
91.05464	6.0
93.07040	9.9
95.04961	3.0
95.08604	100.0
97.06532	3.3
99.04439	0.9
105.07026	13.7
107.08592	19.9
109.06505	4.6
109.10141	5.1
109.83549	0.8
111.08130	1.0
113.06027	4.9
119.04948	2.9
119.08572	25.6
120.09331	1.7
121.06475	3.8
121.10134	16.0
123.04471	0.9
123.08057	63.5
123.11726	9.1
131.08563	4.3
133.06517	1.6
133.10139	4.7
135.08044	2.8
135.11676	6.4
137.09546	5.1
137.13246	0.8
139.07483	1.6
143.08563	2.7
145.10129	2.9
147.04390	1.0
147.08057	6.8
147.11688	17.4
149.09613	49.8
151.07513	3.1
151.14835	4.9
156.09343	1.3
159.11580	2.6
161.05980	15.0
161.09627	8.2
161.13229	28.1
163.07533	4.4
163.11147	4.8
165.09102	1.4
165.12749	11.5
171.11687	5.6
174.10364	3.7
175.03822	1.2
178.92599	0.8
179.14302	1.6
189.09091	4.4
189.12729	24.5
207.06526	1.6
207.13786	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.20571	3.6
57.03441	4.8
67.05495	20.4
69.03419	7.0
69.82719	3.9
79.05488	5.7
80.94983	5.4
81.07052	5.9
83.49207	4.0
85.06535	10.0
91.05472	9.1
93.07043	10.5
95.04937	6.5
95.08606	100.0
99.04459	4.8
105.07023	39.5
107.04977	4.1
107.08589	22.5
109.06528	7.5
109.10154	6.1
109.21862	4.2
115.96429	6.8
119.08595	48.8
121.06445	5.6
121.10151	25.9
121.97594	6.2
123.08077	80.0
133.10136	25.7
135.11742	5.7
137.09607	7.6
143.03627	9.9
143.08563	7.9
145.10103	5.5
147.04419	8.8
147.08015	27.5
147.11684	45.0
149.09616	79.6
151.07547	7.7
156.09309	4.5
161.01160	5.4
161.05974	23.6
161.09621	17.9
161.13258	37.2
165.09172	6.5
165.12791	16.8
165.96472	5.3
171.11667	5.7
179.07042	9.6
179.11815	15.8
189.09097	6.7
189.12767	52.2
189.16516	7.5
192.09335	23.1
207.02892	10.4
207.06395	30.0
207.10078	16.1
207.11691	35.3
207.13818	74.6
227.97366	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.41742	0.8
53.81096	0.6
54.20239	0.6
55.05519	8.7
59.05006	0.7
69.03428	22.5
71.35264	0.7
79.05482	1.7
81.07035	1.3
83.04971	1.1
91.05466	5.1
93.07027	4.0
95.08589	4.0
103.05442	0.8
105.07051	9.1
107.04957	4.7
107.08578	5.6
109.06519	6.3
109.10149	0.8
117.07007	0.8
119.04949	1.3
119.08592	6.6
121.06499	52.5
121.10114	5.0
123.08058	13.8
123.47523	0.7
124.76846	0.7
129.07007	4.0
131.04881	1.2
131.08571	1.4
133.06487	23.3
133.10132	2.9
135.08046	8.6
135.11720	1.3
145.10133	3.0
146.07280	1.9
147.08029	3.4
147.11697	3.6
148.05215	1.0
148.08850	0.9
149.09612	4.9
151.07553	1.5
160.08926	0.8
161.05968	66.1
161.09593	21.4
161.13211	0.9
163.11165	100.0
165.12767	1.1
174.06798	1.7
179.10777	0.9
189.09091	17.1
189.12709	7.7
192.09236	0.8
202.07352	0.8
207.10127	1.9
207.11900	1.6
207.13785	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	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
55.01881	3.9
55.05517	8.7
56.61624	3.0
56.78423	3.2
67.05508	50.7
67.28326	3.4
67.80834	3.7
69.07053	9.2
72.47672	4.2
76.79350	3.6
79.05494	38.9
81.03416	16.9
81.07071	51.3
83.04964	6.1
83.08633	8.5
91.05474	17.2
93.07041	49.4
95.04984	8.1
95.08609	63.3
105.07015	16.8
107.08593	29.6
109.06582	4.1
109.10148	18.0
114.08324	3.7
115.96437	100.0
116.97205	6.0
119.08594	16.4
121.10130	34.3
123.08051	8.2
127.14379	3.5
133.10155	16.7
133.97447	7.4
142.03401	4.0
143.03622	18.9
147.11691	37.3
148.08748	5.1
149.09584	5.9
161.13206	7.4
184.00142	5.4
189.12752	4.7
189.16420	4.7
207.13890	9.1
207.17450	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	208.0969
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.78701	0.3
52.78884	0.3
55.01884	0.5
57.03440	0.9
68.99796	0.7
69.56210	0.4
79.05508	0.9
79.86095	0.4
81.07040	0.9
81.25796	0.4
83.01353	0.5
83.74504	0.4
91.05484	1.8
95.04964	1.7
95.08575	0.7
96.89876	0.4
98.22924	0.4
105.07018	2.4
107.04938	0.7
107.08591	0.8
117.07003	2.0
121.06503	26.1
123.04453	0.9
124.04765	0.8
124.67587	0.4
135.04391	2.2
135.08067	3.9
136.07584	2.1
145.06512	3.7
147.04314	0.5
148.05130	0.4
148.12065	0.5
149.05984	7.3
150.09970	0.6
151.03909	0.8
161.05991	2.0
162.06323	2.2
163.07530	19.6
165.05460	1.6
173.05975	9.9
179.07019	5.6
190.08615	16.4
191.07028	100.0
208.09688	60.2
208.13503	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	208.0969
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.23232	0.5
60.04532	54.0
63.63377	0.4
65.20715	0.5
66.10709	0.5
77.03979	0.6
79.05509	10.4
90.33760	0.6
95.04981	0.6
95.08619	0.6
103.05463	1.2
106.06557	47.0
107.04958	100.0
121.06512	3.2
131.04929	43.0
144.03255	1.1
148.07565	25.2
148.12024	0.6
149.05994	7.8
168.87752	0.5
190.08629	3.7
208.06821	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	208.0968
Annotation	Corydaldine
Peak:m/z	Relative Intensity
51.01636	0.1
52.26433	0.1
54.30048	0.1
55.01865	0.2
55.05280	0.1
56.47966	0.1
57.03435	0.2
57.27420	0.1
64.71169	0.1
68.99793	0.1
70.06581	0.1
71.63080	0.1
77.03915	0.1
79.05481	0.1
81.07088	0.2
83.01360	0.1
84.04501	0.2
84.08144	0.5
85.08459	0.1
91.05480	1.1
93.07034	0.2
93.94817	0.1
95.04958	0.5
95.08609	0.2
105.03362	0.1
105.07018	0.2
107.04951	0.2
107.08636	0.1
108.42854	0.1
110.10505	0.1
115.05392	0.1
117.07011	0.6
119.08580	0.1
121.06497	100.0
134.09650	2.6
135.04431	0.6
135.08057	0.9
135.08945	0.1
136.07608	0.6
145.06473	0.7
146.05997	0.1
147.04396	0.1
148.04851	0.1
149.02345	0.1
149.06000	0.8
151.03911	0.1
161.05974	0.4
162.05386	0.2
162.09125	0.1
163.06154	0.2
163.07526	6.6
165.05478	0.5
167.07123	0.1
173.05962	2.0
173.75255	0.1
176.04474	0.1
179.06995	1.2
187.13370	0.1
188.07047	0.2
190.08615	3.4
191.07016	20.1
208.09691	12.6
208.13290	10.6
208.18813	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	208.0969
Annotation	Streptazolin
Peak:m/z	Relative Intensity
57.03440	50.2
60.40636	0.6
62.43787	0.7
69.40661	0.6
75.04411	0.7
77.90783	0.6
85.06540	62.6
121.06490	2.8
124.03940	20.7
173.14708	0.8
190.10854	1.5
208.09676	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	208.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76568	0.2
71.89120	0.2
91.05451	1.0
95.04964	0.3
105.03371	0.2
120.57092	0.3
121.06493	100.0
134.09656	2.5
135.78784	0.2
158.57117	0.2
163.07498	2.5
187.50056	0.3
208.13312	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	208.1332
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
59.41410	0.2
60.04279	0.2
60.04526	4.2
62.79061	0.2
68.17452	0.2
77.03941	0.3
79.05488	1.2
87.19383	0.2
93.07079	0.2
95.04912	0.3
105.03386	15.0
105.04457	0.4
106.06544	4.6
107.04255	0.5
107.04945	9.9
121.06493	10.8
123.04401	0.4
124.04745	1.1
131.04924	3.8
135.08089	0.4
136.07497	0.3
140.00142	0.3
147.04379	0.2
148.07526	2.4
149.05968	100.0
161.05904	0.4
162.06328	1.3
163.07532	3.4
173.05969	1.1
179.06985	0.5
190.08585	1.8
191.07021	11.7
191.74918	0.3
208.06729	0.5
208.09706	6.4
208.13298	10.5
222.59656	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	208.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12282	0.3
76.37409	0.3
91.05447	0.3
95.04947	0.3
111.25336	0.3
111.26242	0.3
121.06496	100.0
124.92952	0.3
134.09662	2.9
163.07591	2.5
179.41492	0.3
208.13319	10.1
208.15273	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	209.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03656	0.3
58.80428	0.3
62.79776	0.4
68.03948	0.3
70.37406	0.3
75.39153	0.4
82.81776	0.3
82.94843	0.4
98.25499	0.3
115.12672	0.4
115.19424	0.4
123.97471	0.7
124.06248	0.4
125.04597	1.3
126.93801	0.4
140.05707	0.4
144.94798	0.4
150.04144	5.0
150.05290	0.6
167.06758	100.0
167.96422	2.0
168.05157	2.0
172.72383	0.3
185.97525	0.5
191.06778	5.2
209.07813	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	209.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.3
59.54731	0.3
67.05476	0.3
69.07053	0.3
70.93833	0.3
71.02999	0.3
75.33412	0.3
79.05488	1.5
81.07030	0.7
83.04984	0.7
85.06556	0.4
87.55477	0.3
91.05476	13.7
92.17820	0.3
93.07040	2.7
95.04956	0.7
95.08574	0.5
96.08106	0.5
105.07009	5.0
107.04933	2.2
107.08583	2.5
109.06503	0.8
109.10081	0.3
111.08073	0.5
113.96316	0.4
117.07006	1.5
119.08572	8.4
121.06501	2.1
121.10127	2.7
122.06825	0.5
123.08046	1.7
125.09660	0.5
129.06960	0.7
131.04929	0.7
131.08556	0.6
132.05688	1.4
133.06468	2.1
133.10130	1.5
135.04353	0.7
135.08022	4.0
139.03879	0.6
142.70541	0.4
144.95836	0.7
145.06505	0.4
145.10146	0.5
147.08018	5.5
147.11708	0.4
149.09595	1.6
149.13251	0.6
151.03864	1.4
151.11139	0.7
153.05537	0.4
161.13235	2.5
163.07516	2.9
163.11147	1.4
165.07005	0.4
165.09105	3.6
167.08469	0.5
167.97542	0.5
173.05936	0.4
173.13226	0.7
176.04659	1.5
179.07069	0.4
179.08586	2.0
180.09241	0.4
181.04883	0.6
181.10101	1.4
189.90987	0.3
191.03419	1.4
191.06970	3.7
191.14253	1.4
194.02066	0.3
194.10883	3.0
209.04561	4.1
209.08087	10.0
209.11467	100.0
209.13171	6.7
209.15453	2.2
227.88928	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	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.03424	2.3
59.05013	2.2
67.05484	1.6
69.03423	3.0
69.07063	3.0
79.05479	7.1
81.07089	1.9
83.04974	3.1
91.05456	7.2
93.07029	18.4
95.04948	7.8
97.06512	2.0
105.07053	17.0
107.08595	51.6
109.06478	2.3
109.10149	2.0
111.04443	1.8
117.06996	2.5
117.95969	2.2
119.08559	17.3
121.06533	2.5
121.10134	100.0
121.11012	3.6
123.08089	3.8
125.09607	9.1
125.18951	1.5
131.08563	17.3
133.10144	15.4
135.08035	3.5
135.11681	37.7
137.09625	7.2
145.10126	26.8
147.07956	1.6
148.46623	1.9
149.09596	36.9
155.08582	2.0
161.09596	8.4
163.11148	31.1
165.07004	8.6
166.07770	11.4
167.08545	7.5
167.10805	2.0
179.08533	13.3
180.09293	3.1
181.10094	20.9
191.08606	1.9
191.10654	8.9
193.19818	1.6
194.07288	3.4
194.10913	15.6
209.07715	3.4
209.09668	75.7
209.11722	5.9
209.13280	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51398	0.3
57.03428	1.8
59.84731	0.3
68.15203	0.3
70.05070	0.4
75.04470	0.4
89.93277	0.3
95.04996	2.5
95.08593	0.6
107.04958	19.7
107.08590	0.6
109.77174	0.3
111.61955	0.3
117.95978	2.2
121.10162	0.4
121.73161	0.4
135.08054	100.0
165.06999	0.7
166.07779	0.8
167.08560	1.6
179.08563	2.2
180.09302	0.5
181.08707	0.4
181.10133	3.3
194.07288	0.6
194.10915	5.0
195.95218	0.3
209.04591	0.4
209.09610	7.2
209.11702	8.9
209.13310	10.1
209.15355	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	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87828	0.3
57.03429	1.9
57.56404	0.3
63.54709	0.3
65.25977	0.3
75.04496	0.5
79.44092	0.3
81.07035	0.6
95.04951	4.0
95.08607	0.6
107.04950	19.3
107.08582	1.4
108.38052	0.4
109.06502	0.4
115.76633	0.4
117.95984	5.7
121.10127	0.4
122.82421	0.4
126.97235	0.6
133.10126	0.4
135.08051	100.0
135.97012	1.3
140.95146	0.4
144.57402	0.4
144.95889	0.8
149.09703	0.5
165.12737	0.8
166.07794	0.6
167.97449	0.6
179.08591	0.8
181.10121	2.3
185.99829	0.5
191.14189	0.4
194.07286	0.8
194.10866	2.1
209.09618	5.5
209.11710	9.1
209.13336	5.3
209.15350	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
52.72987	0.3
56.80989	0.4
57.03432	1.6
59.30960	0.4
61.81792	0.4
66.32597	0.4
75.04487	0.5
79.28246	0.5
81.07064	0.4
83.04971	0.7
90.12630	0.4
91.13107	0.4
93.07037	0.5
94.84316	0.4
95.04974	3.0
103.09784	0.4
107.04948	17.9
107.08575	1.9
121.10123	1.0
122.65199	0.5
131.08575	0.5
135.08047	100.0
165.06955	0.9
167.08525	1.0
173.13248	0.9
179.08565	2.1
180.09433	0.5
181.10146	2.8
191.09547	1.0
191.14323	0.8
194.10887	4.1
209.09555	4.0
209.11702	12.3
209.13319	8.5
209.15324	1.0
209.20815	0.5
227.45058	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	209.1324
Annotation	trans-1,2-Diphenylcyclobutane
Peak:m/z	Relative Intensity
80.46282	1.2
80.69113	1.0
92.26314	1.1
140.75525	1.2
165.06956	7.3
165.12730	6.0
166.07751	1.8
167.08546	17.8
179.08521	21.0
180.09343	14.4
181.10098	12.6
194.10904	29.1
209.09615	5.7
209.13239	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	209.1324
Annotation	trans-1,2-Diphenylcyclobutane
Peak:m/z	Relative Intensity
51.97494	1.4
54.88783	1.5
55.70188	1.6
56.32850	1.3
63.16859	1.5
78.94759	1.7
89.56230	1.8
122.61092	1.7
158.59174	1.6
165.06964	6.6
166.07843	2.6
167.08553	15.3
168.09332	1.9
179.08516	26.7
180.09293	12.2
181.10104	14.9
194.10912	32.1
198.37523	1.7
209.09758	6.5
209.13248	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	209.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33200	1.9
63.68551	2.1
68.07293	2.3
87.96335	1.9
89.01009	2.2
140.65033	2.1
143.46703	2.1
145.62608	2.3
165.06984	7.9
166.07780	2.3
167.08540	19.3
179.08557	22.2
180.09383	14.2
181.10106	13.3
194.10919	29.6
209.09628	3.7
209.13237	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	209.1326
Annotation	trans-1,2-Diphenylcyclobutane
Peak:m/z	Relative Intensity
51.63708	0.2
64.58582	0.2
74.80923	0.2
81.07066	0.3
89.57970	0.2
98.06142	0.2
99.10431	0.3
103.27856	0.2
117.96020	0.5
129.07025	0.2
141.06970	0.4
144.95799	0.2
152.06175	0.3
153.06895	1.0
155.08553	1.1
165.07011	3.8
166.07794	1.8
167.07144	0.5
167.08554	13.4
168.09341	1.2
169.10168	0.3
178.07787	1.1
179.08563	19.6
180.09320	4.3
181.10120	9.9
192.62772	0.3
193.10098	1.8
194.10913	30.1
203.29361	0.2
203.56462	0.3
207.11731	0.5
209.13255	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	209.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10248	0.9
54.23875	1.0
55.00243	1.0
55.31752	0.9
61.17104	1.2
70.44412	1.3
79.05467	1.6
93.86845	1.2
97.37621	1.1
98.74744	1.2
107.08610	1.5
109.06490	1.8
114.51526	1.3
116.60509	0.9
123.08051	1.2
126.34579	1.2
135.08054	1.7
140.70425	1.1
148.54706	1.1
151.03165	1.1
151.11201	2.3
163.40694	1.1
165.06956	7.0
165.12784	2.2
166.07788	4.8
167.08553	17.6
179.08569	20.3
180.09311	12.7
181.10109	16.2
191.14313	2.8
194.10922	30.0
209.09999	9.9
209.13251	100.0
209.15167	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	209.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75127	0.3
66.91651	0.4
68.83886	0.4
71.89248	0.3
75.64819	0.3
88.32404	0.4
92.05801	0.5
121.06501	56.3
122.06833	100.0
134.09636	0.7
135.10045	3.2
159.89049	0.5
164.07877	2.3
174.96225	0.4
177.60382	0.5
209.13666	15.7
224.46211	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.01201	2.2
55.05521	21.0
56.96555	3.1
57.03448	3.7
57.07077	4.0
59.73630	2.4
65.97900	2.1
67.05495	5.3
69.03432	4.5
69.06791	2.1
69.07075	32.2
71.04994	14.9
79.05482	11.0
79.79952	2.7
81.03425	6.3
81.07057	47.5
83.01340	2.8
83.04987	21.4
83.08636	10.4
84.25568	2.4
85.06522	4.2
87.04453	17.2
91.05469	4.6
93.07037	38.0
95.04941	29.2
95.08599	24.5
96.08118	15.0
97.06530	31.4
99.04454	4.4
99.08113	3.0
105.07077	19.1
107.08584	54.7
109.06513	96.6
109.10136	31.5
111.04436	13.2
111.08046	4.0
115.07559	56.3
119.08561	13.5
121.02834	11.4
121.06482	6.3
121.10132	100.0
123.08055	20.3
123.11720	25.5
123.97485	3.2
125.09616	18.6
131.08577	6.2
133.10117	17.8
135.08054	12.2
135.11681	5.4
137.09631	15.5
139.11198	18.9
143.61847	2.5
144.94751	3.9
144.95795	19.5
145.10133	4.9
147.11684	16.3
149.09576	43.7
149.13261	16.8
151.11189	14.9
152.10626	2.7
153.09116	12.0
162.96913	4.9
163.11168	3.3
163.14767	5.6
165.12743	38.8
166.10777	2.4
166.12222	17.9
167.10635	4.9
167.14267	12.8
167.96330	5.7
167.97574	4.7
169.03621	3.0
172.27327	2.7
173.13254	5.8
191.07045	3.2
191.10622	3.1
191.14304	33.5
194.02191	2.9
194.10985	2.9
207.12465	3.1
209.04440	14.7
209.09750	3.1
209.11610	5.4
209.15218	82.1
216.49379	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.41333	1.8
55.05495	4.5
57.03434	8.6
67.05491	4.1
69.03405	3.6
69.07059	9.6
71.04977	12.0
79.05476	8.3
81.07041	21.5
83.04958	5.3
83.08619	8.8
85.06524	5.3
91.05480	7.9
93.07058	15.4
95.04962	73.6
95.08585	12.8
97.06516	32.5
99.04447	22.4
105.07028	15.0
107.08578	27.0
109.06517	100.0
109.10137	23.2
111.08064	11.5
117.06982	2.6
117.91165	2.2
119.08551	11.7
119.16235	2.2
121.06467	8.8
121.10116	31.0
123.08079	15.0
123.11652	3.9
125.09555	3.0
129.03159	2.2
131.08545	13.4
133.10130	61.5
135.08040	17.4
135.11678	10.4
137.09583	2.5
139.11177	2.2
145.10115	4.2
147.11664	3.3
149.09589	5.2
149.13243	16.1
151.07532	4.1
151.11179	19.9
153.09088	70.0
161.13240	3.4
162.06744	4.4
163.07516	10.8
163.14813	9.1
163.31595	2.1
165.05392	4.3
166.06239	8.7
167.08533	2.3
167.14232	2.9
168.07831	5.3
173.13223	30.3
177.09058	3.0
178.09892	38.3
179.07065	4.2
179.08539	10.1
179.14360	2.9
181.08580	25.4
181.10129	8.6
191.14304	56.4
194.09380	22.5
194.10927	10.3
208.55923	2.6
209.08078	7.8
209.11505	33.9
209.13300	28.9
209.15369	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	N-Benzyloxycarbonylglycine
Peak:m/z	Relative Intensity
56.42477	0.2
65.03938	0.5
66.47123	0.2
79.05483	0.3
82.45535	0.2
82.87151	0.2
84.87121	0.3
91.05475	100.0
103.05473	3.5
108.08200	0.3
108.08959	0.3
111.04440	0.3
112.04994	0.3
118.06528	3.5
119.04929	21.3
120.08048	0.3
121.06444	0.3
123.04400	3.5
124.03927	0.4
127.26201	0.3
133.06494	0.3
134.09653	4.6
136.07570	4.6
145.96681	0.4
147.04355	2.0
151.07581	0.4
163.97659	0.6
164.07025	2.2
164.10623	0.3
165.05402	0.3
169.04939	0.3
192.06563	0.4
210.07619	1.1
210.11238	12.7
210.15695	0.4
210.18506	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	210.1125
Annotation	Anhalamine
Peak:m/z	Relative Intensity
60.68071	0.5
91.05479	100.0
106.33593	0.3
116.30617	0.3
119.04941	11.3
120.08099	16.3
120.08910	0.7
131.85406	0.4
134.09651	1.4
134.65475	0.3
192.17474	0.4
210.11217	7.0
210.18512	4.1
220.36322	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	210.1125
Annotation	Anhalamine
Peak:m/z	Relative Intensity
51.30612	0.4
51.96101	0.5
58.70674	0.5
61.10794	0.6
63.32278	0.5
66.69276	0.5
91.05477	100.0
93.52200	0.6
103.05459	3.2
116.19268	0.6
119.04932	17.4
134.09644	13.9
210.11229	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	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15843	0.4
68.25965	0.4
68.80856	0.4
73.04955	0.5
91.05475	100.0
103.05474	3.3
119.04929	16.5
133.84450	0.4
134.09639	10.4
165.05682	0.6
182.10497	0.5
195.08052	0.9
195.11400	1.9
210.11279	21.8
210.13622	4.5
210.15651	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	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53965	0.8
59.42976	0.9
61.20111	0.9
65.24918	0.9
65.72797	1.0
83.49597	0.9
91.05480	100.0
92.18447	2.2
92.77605	1.0
93.09014	1.3
103.05465	2.4
119.04947	16.5
122.90840	1.0
134.09651	10.6
168.09004	1.3
180.08911	2.2
195.08006	2.0
195.11249	4.4
210.11243	22.8
210.13608	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	210.1488
Annotation	3-Tigloyloxynortropane
Peak:m/z	Relative Intensity
57.03476	0.6
57.07082	11.8
59.57192	0.6
66.30284	0.5
68.58697	0.6
69.07059	1.2
71.07347	0.8
81.07058	1.3
82.06580	1.2
83.01361	0.7
85.06512	1.0
91.05483	16.0
96.08119	1.4
97.02862	1.1
98.09702	1.4
107.08578	1.3
108.08112	15.0
109.06499	3.2
110.06042	100.0
112.07613	0.6
119.04012	0.6
119.04916	1.4
122.09640	1.1
124.07597	8.4
126.09154	3.0
132.14990	0.7
134.34279	0.7
136.07542	7.2
139.07585	0.6
145.96616	2.4
147.11794	0.8
150.09117	1.1
163.97745	3.3
164.14340	18.7
165.12733	1.4
174.12842	0.7
175.11307	0.9
182.15390	14.1
192.13832	27.6
193.12227	0.6
195.08029	2.4
210.10161	3.1
210.11507	2.1
210.14903	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	29.2
66.45480	22.8
72.01632	21.0
73.02893	28.7
74.65775	20.0
81.13572	22.3
103.84023	24.8
109.31512	24.0
112.89614	43.1
114.71736	26.3
116.24570	25.5
117.13860	31.0
153.99828	23.5
210.94099	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	211.0601
Annotation	5-Hydroxyferulate
Peak:m/z	Relative Intensity
67.05522	1.0
81.03397	1.2
83.04972	1.2
85.02910	11.0
91.05496	7.6
92.05812	12.4
96.18483	1.0
105.03345	1.1
109.02866	4.6
119.04933	1.3
120.05329	1.1
121.08430	1.1
123.04426	10.8
127.03921	4.0
137.05986	1.2
147.04391	11.3
151.02679	1.4
151.03897	36.9
155.02510	1.1
165.05463	15.0
169.04890	1.7
171.33928	1.1
175.03914	7.4
182.45329	1.1
193.04958	100.0
211.06003	41.1
211.09459	2.1
211.11325	4.4
229.75131	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	211.1117
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.05511	0.8
56.50601	0.5
59.46546	0.5
67.05472	0.6
69.03423	0.9
74.63055	0.7
81.07036	1.0
85.21593	0.6
91.05469	1.4
92.05823	0.6
93.07038	1.2
95.08572	1.2
105.07028	3.7
119.08587	1.0
123.08039	1.5
128.06253	0.7
129.07036	1.5
131.08627	0.6
141.06976	3.8
142.07768	4.4
143.08594	4.4
151.07516	0.9
153.07008	6.0
154.07706	0.9
155.07350	1.3
155.08545	26.9
157.10120	1.5
165.06984	1.1
167.08557	4.7
168.09334	18.4
169.10110	24.8
170.10870	1.3
170.12859	0.7
178.07726	5.6
181.06421	5.2
181.10104	6.6
182.10875	2.9
183.08073	3.9
183.11682	60.6
193.10124	18.3
195.08083	0.9
196.08806	16.6
196.12471	9.8
209.13206	0.8
211.07619	5.5
211.11174	100.0
211.14735	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1117
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.30771	0.4
61.27295	0.4
62.80856	0.3
65.98196	0.4
69.03413	1.1
81.07027	0.5
91.05454	0.6
103.15350	0.4
105.07005	0.8
116.44872	0.4
119.08527	0.7
119.95686	0.6
129.06992	0.5
141.06966	2.6
142.07736	0.9
143.08582	0.5
152.06194	0.6
153.06927	0.6
154.07831	0.6
155.08557	10.2
156.09247	0.5
165.06979	1.6
166.07550	0.5
167.08507	3.2
167.78998	0.4
168.09291	3.6
169.10091	8.1
178.07756	7.5
181.06439	5.5
181.10098	2.0
182.10957	0.6
183.08105	1.9
183.11711	10.0
193.10112	9.1
195.08069	0.5
196.08850	15.9
196.12448	6.9
210.10471	0.6
211.07631	5.0
211.11172	100.0
211.14694	25.1
223.62723	0.5
234.96828	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	211.1117
Annotation	Linderazulene
Peak:m/z	Relative Intensity
56.05829	0.3
63.04113	0.2
64.70673	0.3
67.76568	0.3
69.03420	0.7
89.36810	0.3
105.07030	0.5
105.07828	0.3
129.06978	0.4
131.08638	0.4
141.06976	0.6
142.07742	0.4
143.08487	0.3
153.06970	1.6
154.07838	0.4
155.08557	8.9
165.06955	0.7
166.07732	0.4
167.08549	1.5
168.09331	4.7
169.10110	4.6
178.07742	6.4
181.06493	4.2
181.10095	0.6
183.08031	1.9
183.11658	5.0
193.10114	7.6
195.08047	0.7
196.08830	15.4
196.12474	1.5
211.11163	100.0
211.14438	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	211.1118
Annotation	Linderazulene
Peak:m/z	Relative Intensity
66.89447	0.4
68.72227	0.4
69.03423	1.0
70.79189	0.4
88.09079	0.4
98.69691	0.4
141.07011	1.9
153.06963	1.6
154.07831	0.6
155.08559	8.1
165.07019	0.6
167.08557	0.6
168.09338	3.6
169.10114	1.7
178.07767	6.5
181.06474	4.4
182.07260	0.5
183.08063	2.1
183.11707	6.5
193.10139	8.4
195.08032	0.7
196.08856	17.6
211.11177	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	211.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80904	0.6
54.57584	0.6
57.35542	0.8
64.66125	0.8
65.80701	0.7
86.58935	0.9
91.05479	56.9
92.05809	100.0
103.05495	1.1
104.05795	3.6
119.04966	6.9
120.05277	17.7
134.09651	4.2
135.10014	13.2
194.06664	0.9
209.34300	0.9
211.11595	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
67.05495	1.8
69.07050	2.2
71.18893	1.0
74.45024	0.9
74.82402	0.9
79.05486	2.1
81.07059	2.3
91.05487	26.6
92.82337	1.1
93.07008	4.3
95.08600	2.0
103.24984	1.0
105.06466	0.9
105.07041	10.6
107.08585	1.8
117.07011	2.0
119.08578	13.5
125.77770	0.9
129.06989	5.2
131.08551	6.1
141.06964	7.4
142.07791	1.5
143.08583	12.8
145.10153	1.8
153.07034	1.4
154.07700	1.3
155.08545	28.4
156.09352	1.4
157.10121	5.0
167.08531	4.6
168.09315	8.8
169.10117	61.2
170.10822	3.6
178.60475	1.0
181.10124	10.9
182.10902	10.6
183.10054	1.8
183.11691	55.7
193.09991	1.3
196.08740	4.1
196.12471	21.8
211.11301	24.3
211.14804	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	211.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
55.05502	6.4
58.45295	0.8
58.53254	0.8
63.36073	0.8
67.05486	5.5
67.38292	0.8
69.03416	3.6
69.07056	6.1
71.04982	1.9
79.05502	1.9
80.94115	1.0
81.07065	8.5
83.04971	4.5
83.08601	5.3
85.06548	1.3
91.05480	20.0
92.05803	10.0
93.07026	4.9
95.08600	8.1
99.04456	1.1
99.08085	1.5
105.07034	12.0
107.08555	6.2
109.06503	1.3
109.10154	14.3
111.08993	0.9
117.06997	4.7
119.08569	12.3
120.05270	1.5
121.10108	1.3
123.08034	1.2
123.11709	1.7
128.06200	2.2
129.06992	4.9
131.08534	5.8
133.10101	7.9
135.10040	1.1
135.11691	8.7
137.09563	1.4
139.34814	1.0
141.06958	12.0
142.07764	2.0
143.08560	12.5
145.10114	1.3
151.14844	1.4
153.06888	3.8
154.07758	2.1
155.07381	1.5
155.08557	34.9
156.09305	1.8
157.10120	6.1
158.66212	1.0
167.08540	11.7
168.09323	16.6
169.10118	51.2
170.10893	1.9
175.14783	4.0
178.07727	4.9
181.06419	4.8
181.10107	12.4
182.10858	9.5
183.11690	64.6
193.10144	17.3
193.15808	2.0
195.08054	1.3
196.08868	14.7
196.12480	19.5
211.07657	4.2
211.11218	74.4
211.14796	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	211.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
67.05486	1.6
69.07068	1.8
79.05513	1.3
81.07052	6.9
91.05474	18.3
93.07007	1.3
95.08628	1.6
105.07023	9.1
107.08577	2.0
117.06969	1.5
119.08557	11.8
129.06985	2.3
131.08562	1.9
133.10168	1.1
141.07002	8.5
143.08557	12.7
145.10100	1.2
153.06969	1.0
154.07777	2.3
155.08543	28.8
156.09216	1.1
157.10126	3.9
167.08565	4.2
168.09366	9.9
169.10123	53.0
170.10970	2.0
171.11778	1.0
178.07791	1.3
181.10152	8.0
182.10896	9.8
183.11681	44.0
187.24026	1.1
193.10173	7.9
196.08817	8.6
196.12505	18.4
197.29366	0.9
211.11243	39.4
211.14819	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	211.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93111	1.4
54.14372	1.1
57.20935	1.1
59.35702	1.2
73.72692	1.1
74.54994	1.5
74.58517	1.2
78.46638	1.2
81.07064	2.1
89.26799	1.3
91.05466	15.8
92.05817	11.0
93.07054	3.0
95.08591	5.5
105.07025	7.5
109.10139	2.0
113.48113	1.2
117.06982	1.7
119.08576	6.4
120.05281	1.6
123.08060	1.2
129.06990	5.3
131.08534	2.2
133.10101	1.7
135.10001	2.5
140.88733	1.4
141.07014	7.6
142.07732	1.9
143.08574	7.0
153.07031	2.3
155.08534	32.3
156.09375	1.7
157.10159	2.0
167.08572	2.7
168.09332	12.9
169.10112	40.0
170.10982	1.3
173.93092	1.3
178.07872	4.8
181.06467	2.7
181.10143	9.9
182.10847	6.5
183.08101	1.5
183.11691	34.3
193.10094	14.0
196.08798	17.1
196.12439	17.3
211.07852	2.8
211.11197	100.0
211.14777	81.7
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	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.98353	2.0
55.05510	15.1
57.03427	3.7
59.04989	9.6
64.32041	2.4
65.87341	1.9
67.05497	19.2
69.07059	28.4
69.70184	2.0
71.04987	45.6
79.05486	9.0
81.03433	2.3
81.07059	39.4
83.04971	2.6
83.08621	22.0
85.06516	11.4
91.05458	10.8
92.05795	3.2
93.07044	36.0
95.04904	3.5
95.08601	99.2
97.06525	26.6
97.10145	3.3
99.04422	15.0
99.08080	12.4
105.07008	16.4
107.08586	40.4
109.06488	13.8
109.10152	52.2
111.08061	5.3
115.07534	21.6
119.08568	43.3
121.10123	31.9
123.04417	2.3
123.08066	15.4
123.11696	67.3
125.09612	8.6
133.10126	58.6
135.11684	100.0
137.09622	20.7
137.13223	4.0
139.11186	2.5
141.09081	4.7
141.12746	4.2
143.08594	3.0
147.11627	4.1
149.13243	19.0
151.11220	3.1
153.12704	15.4
155.08545	13.4
155.10680	3.5
163.14813	4.9
169.10100	22.5
175.14813	74.0
181.15820	3.0
182.10899	3.3
183.11661	12.1
193.10155	2.4
193.15889	48.7
196.08875	4.0
196.12436	4.4
211.11316	20.4
211.14815	46.8
211.16930	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05516	7.1
56.51199	0.7
57.07066	3.4
59.04996	2.0
60.53650	0.7
67.05507	10.8
69.03427	6.0
69.07066	11.8
71.04987	4.5
74.75453	0.8
79.05508	1.1
81.07051	17.7
83.04966	12.8
83.08617	6.6
85.06544	4.5
91.05460	1.4
93.07047	7.9
95.04973	1.6
95.08022	1.4
95.08599	35.9
97.06496	1.5
97.10153	1.8
99.08075	4.2
105.07021	4.6
107.08588	20.7
109.06515	10.5
109.10151	100.0
111.08075	4.7
111.64438	0.8
113.09621	1.7
119.08566	23.1
121.10136	11.4
123.08054	12.5
123.11701	10.8
125.09655	1.3
133.10121	19.4
135.11691	81.0
137.08615	1.4
137.09608	19.7
137.46725	0.8
139.11107	1.1
149.13234	5.3
151.11169	12.1
151.14803	12.1
153.12723	3.2
165.16385	3.3
175.14818	21.3
193.15849	17.1
211.16954	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.55390	1.2
53.44194	1.3
53.56760	1.2
55.01855	1.8
55.05506	11.0
57.07070	2.2
62.84872	1.2
65.03960	1.6
67.05502	14.1
69.03419	2.2
69.07068	15.0
71.04989	13.4
73.02909	1.4
77.13873	1.3
79.05490	9.0
81.07047	39.1
83.04970	16.7
83.08621	12.5
85.06544	13.5
91.05469	20.6
92.05805	14.3
93.06493	2.8
93.07035	35.1
95.04974	2.0
95.08600	50.3
97.06528	6.3
99.04424	2.1
99.08098	34.7
105.03354	1.7
105.07031	22.0
107.04927	2.8
107.08584	59.8
108.04509	2.1
109.06499	9.7
109.10151	46.0
111.08087	16.1
115.07544	2.0
119.08566	46.2
120.05315	1.7
121.06495	2.2
121.10123	20.0
122.06810	2.2
123.04403	2.6
123.07166	2.7
123.08063	8.0
123.11690	14.8
125.09639	16.3
133.02823	5.9
133.06488	2.5
133.10120	35.8
135.11685	96.8
137.05940	2.3
137.09608	12.9
141.08984	1.5
147.07973	2.5
147.11700	11.3
149.13274	7.1
151.03923	2.0
151.07518	3.1
151.11205	6.7
153.12717	6.3
155.08566	2.6
155.10646	8.0
161.02266	2.9
163.14795	100.0
163.60564	1.4
165.05473	2.2
165.12700	2.2
169.10103	5.8
175.11333	2.1
175.14793	50.2
181.10255	1.8
181.15819	5.6
183.11656	2.4
193.04970	3.3
193.08449	2.2
193.10191	1.8
193.12126	3.1
193.15862	25.8
196.12495	2.3
197.51704	1.6
211.07770	1.6
211.11266	8.8
211.13084	2.3
211.13675	2.2
211.14807	17.2
211.16928	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60355	0.5
60.69482	0.5
62.99446	0.6
63.71284	0.5
84.38515	0.6
135.01434	1.1
136.02184	4.6
153.11954	0.6
165.97836	14.2
167.99359	100.0
194.00940	79.9
194.02754	1.2
194.10341	0.9
197.09482	0.9
212.01979	82.1
212.11577	5.8
212.15140	2.7
223.12170	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	212.0919
Annotation	CJ 14877
Peak:m/z	Relative Intensity
67.36095	0.4
69.03436	0.7
73.71731	0.4
81.03423	18.4
81.32310	0.4
82.60033	0.5
85.02917	2.0
91.97348	0.4
99.04443	1.0
109.02881	23.2
110.97598	0.4
127.03912	3.1
134.06024	3.0
141.05519	0.7
148.07532	0.8
149.05945	2.0
152.07065	15.1
153.05434	1.7
166.08620	15.0
176.07050	5.5
194.08121	100.0
195.08672	4.5
212.09163	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	212.1182
Annotation	Trp-P-1
Peak:m/z	Relative Intensity
50.01268	0.4
61.08225	0.5
68.82547	0.5
77.03915	0.7
81.03393	2.3
81.07079	0.8
82.07380	0.6
82.99828	0.5
85.02889	0.6
85.12347	0.5
92.04980	2.0
94.06565	42.4
95.04961	1.0
96.08944	0.7
107.08587	0.6
108.08923	0.7
109.02863	3.6
110.10474	0.9
119.06058	60.4
120.08967	0.5
125.09547	0.5
126.09907	0.7
134.10434	0.7
135.11609	0.6
136.12012	2.5
147.96851	0.6
148.23064	0.5
164.15157	1.1
166.08459	0.7
176.15041	0.6
195.09164	21.6
212.11812	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.56105	0.4
61.02626	0.5
61.02929	9.1
65.03944	1.1
67.05515	0.5
70.12907	0.5
74.80238	0.4
75.28949	0.4
77.03900	0.5
79.05496	9.6
83.42480	0.5
86.50057	0.5
88.07690	0.5
91.05455	2.3
93.03397	7.5
95.04954	0.9
98.74155	0.4
103.23091	0.5
104.12266	0.4
105.04524	0.6
107.04951	22.5
108.02113	0.6
110.03660	18.5
111.04433	7.2
119.04923	0.8
121.06510	7.6
122.03632	2.3
123.04384	0.5
124.05173	0.6
125.05988	63.4
133.02841	10.2
135.04413	30.3
137.06000	3.0
141.05484	0.8
149.05974	23.2
150.03110	7.7
151.03903	100.0
151.04910	4.5
153.05458	17.0
162.03091	0.6
163.03883	8.1
165.05461	47.7
167.07028	15.3
177.05453	20.7
181.06477	1.1
195.06519	15.3
210.89510	0.5
213.05531	1.5
213.07581	6.4
213.09052	1.0
213.12704	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	213.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.7
69.03429	3.8
72.42657	2.1
79.05496	14.5
83.05003	2.1
90.64909	2.4
91.05489	4.8
93.03388	8.8
93.07025	3.7
95.04974	3.4
95.08620	3.0
97.06576	2.5
99.04440	2.6
105.03383	2.4
105.07021	8.2
107.04961	25.6
107.08594	18.2
107.32433	1.9
109.06516	8.5
109.10175	2.2
109.68970	1.9
110.03680	22.3
111.04441	10.1
121.06501	15.8
121.10106	10.1
123.08088	2.6
125.05988	70.3
130.96310	4.9
131.08577	8.7
133.02846	11.1
134.03743	1.9
135.04411	35.1
135.08038	11.4
137.05983	9.6
137.08321	3.0
143.08495	3.1
143.75398	2.0
148.97330	2.2
149.05988	31.2
149.09605	12.1
150.03113	10.9
151.03903	100.0
151.04959	5.6
153.05446	20.6
153.09053	2.2
157.10167	6.7
163.03976	8.3
164.82849	2.1
165.05469	56.7
167.07019	22.8
171.08012	2.0
171.98880	2.4
177.05450	25.2
177.09091	10.8
195.06496	26.6
195.10146	4.5
198.10352	2.3
213.05635	4.6
213.07555	13.7
213.09241	5.1
213.11104	9.3
213.12894	16.7
213.16187	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	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
52.73066	0.3
53.03934	0.4
54.54416	0.4
57.05350	0.3
69.03453	0.7
70.06586	0.5
72.08141	1.1
77.03929	0.8
79.05477	1.1
80.40442	0.4
81.07040	0.5
86.09685	1.8
91.05487	6.2
93.07039	22.0
95.04949	1.9
95.08580	0.7
97.06527	0.7
105.04523	0.7
105.07019	2.6
107.04923	2.1
121.06500	73.1
123.08045	0.7
125.02325	1.9
125.05949	1.9
131.04913	2.2
133.06563	0.6
134.03633	0.8
135.04413	0.8
139.07562	2.4
149.05975	100.0
151.03903	2.0
151.07512	0.5
153.05438	1.0
165.05415	0.5
167.07042	2.0
177.05519	1.7
180.07736	0.7
195.06522	38.8
208.64902	0.5
213.05717	0.9
213.07542	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	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
54.06265	0.9
57.03430	1.1
59.04979	1.8
61.04202	1.0
72.08118	1.7
79.05466	7.4
81.07064	2.4
86.09675	2.3
91.05482	9.7
92.18451	1.5
93.07033	11.3
105.07031	9.4
107.04913	5.4
107.08592	61.4
109.06523	1.4
109.10149	2.5
117.07014	21.9
119.08568	27.0
121.06491	4.6
121.09317	1.7
121.10137	35.0
123.08026	2.0
126.09114	1.5
126.87641	1.2
130.96344	1.4
131.08554	24.5
133.10118	2.3
135.04347	2.1
135.08054	31.4
137.09560	1.7
139.11102	1.6
142.41962	1.2
147.08040	29.6
149.09610	45.5
151.07549	2.1
151.11115	2.0
153.09071	9.3
157.10109	1.8
159.08057	9.7
165.09103	36.9
167.07016	1.4
167.10652	2.1
177.09088	100.0
195.10187	12.1
213.09193	4.1
213.11176	90.7
213.16313	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	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01877	0.8
69.16022	0.5
79.05476	2.4
81.07029	0.6
83.01335	1.1
91.05460	0.8
93.07043	1.8
95.04942	0.9
103.05463	10.5
105.07037	9.9
107.04937	10.2
107.08593	2.1
117.06997	0.5
119.08547	0.6
120.05679	0.6
121.10155	0.5
122.64555	0.5
123.04383	1.8
124.05203	0.5
124.19311	0.5
131.04970	0.9
133.06529	0.5
135.08051	40.3
139.03893	1.9
139.07513	1.0
147.04274	0.4
149.09642	0.8
151.03949	0.6
152.04750	1.1
153.05479	1.0
154.06212	2.5
163.07535	17.2
165.05415	0.5
165.53973	0.5
167.07019	100.0
177.09148	1.2
180.07762	4.4
185.09578	0.8
195.10153	18.0
213.05260	3.3
213.09096	1.5
213.11180	4.6
213.12968	0.8
213.16399	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
71.78087	0.3
79.05482	1.2
83.26645	0.2
91.05460	1.2
91.56422	0.2
95.04974	0.4
103.05469	1.4
104.06252	0.4
105.03388	0.3
105.07049	3.3
109.06619	0.3
120.05762	1.2
121.06480	2.8
132.05728	0.5
133.02878	2.1
133.06500	3.7
134.07257	1.5
135.04396	1.8
135.08015	2.6
137.05975	1.4
137.09557	0.6
143.08533	0.4
147.04485	0.3
147.83537	0.3
148.05193	2.3
149.05994	4.7
150.06757	8.1
151.07541	2.8
152.08357	0.5
157.06454	0.3
157.10109	0.7
161.06017	0.4
162.06801	2.3
163.07556	2.6
164.08331	13.3
165.05463	23.7
165.09032	2.3
171.11678	0.5
174.85504	0.3
180.07803	50.8
185.13292	0.4
195.10159	100.0
213.05458	0.5
213.11073	2.4
213.12802	1.0
213.16394	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	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.9
55.31349	0.7
67.05494	0.9
69.07046	4.4
72.00594	0.7
79.05482	4.7
81.07052	3.5
82.57241	0.7
83.08610	1.6
87.98377	0.7
91.05486	10.4
92.17897	1.5
93.07038	7.5
95.08604	4.3
105.07044	11.0
107.08595	6.1
109.10136	3.5
117.07018	1.7
119.08594	12.3
121.06564	0.9
121.10154	10.9
126.28487	0.7
128.06206	3.3
129.07002	18.8
131.08540	7.5
133.10143	8.9
141.06973	3.0
142.07796	5.2
143.07529	1.2
143.08569	29.1
145.10132	6.0
147.11647	1.8
155.08539	3.4
156.09331	3.4
157.10120	38.6
159.11716	1.3
165.06989	0.9
169.10136	3.1
170.10919	10.1
171.08049	3.3
171.11679	40.0
180.09428	1.4
183.07915	1.0
183.11765	3.1
184.12433	1.3
185.09604	4.8
185.13237	8.3
195.11746	2.6
198.10341	3.3
198.14026	3.8
213.05557	7.6
213.09441	9.1
213.12914	30.9
213.16373	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.26702	0.8
50.95842	0.8
55.05513	4.5
57.07075	1.1
65.88314	0.8
67.05489	1.3
69.03427	1.2
69.07070	9.5
71.04985	4.7
79.05491	1.4
81.07049	14.7
83.08621	10.9
85.06520	2.3
93.07040	11.8
95.08604	31.4
97.10152	6.4
99.08097	17.8
107.08596	32.3
109.10123	8.0
111.08057	14.9
113.09640	4.3
121.10133	58.1
125.09613	8.8
135.11714	13.2
137.13246	10.2
139.11191	1.4
149.13261	5.6
164.94783	1.0
177.16370	100.0
195.17422	11.8
206.81282	0.9
213.09119	1.3
213.12753	4.9
213.16515	2.3
213.18480	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	214.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.6
58.02954	1.5
66.51788	0.8
68.75517	0.8
71.08610	1.3
74.09706	0.8
88.07616	4.4
90.90385	1.2
90.94811	1.6
102.09195	9.7
107.91696	0.8
116.10702	3.6
117.32583	0.8
124.96721	0.9
131.92979	6.6
139.29848	0.9
149.94048	9.9
149.96025	2.1
172.97604	0.9
214.10927	1.6
214.13081	1.6
214.21651	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	215.0702
Annotation	4-Formyl-1-methoxycarbonylazulene
Peak:m/z	Relative Intensity
54.20179	0.7
54.77948	0.6
60.79585	0.6
62.53683	0.7
81.07046	0.9
95.04938	0.7
105.06983	1.0
106.26914	0.9
107.08599	1.2
117.06991	1.0
119.03552	0.7
119.08543	1.4
131.08603	2.6
131.97446	0.8
133.10127	1.6
141.06998	1.1
144.05670	3.7
145.06410	0.9
145.10109	3.1
155.04924	12.4
157.06422	0.8
157.10130	1.6
159.08023	4.4
159.11676	3.5
169.06474	0.8
169.10045	1.3
172.05164	8.2
173.09671	1.0
173.13245	2.8
182.41997	0.9
183.04405	37.4
184.05165	8.7
187.07530	53.0
187.11113	1.1
187.14862	3.0
191.48409	0.9
197.05942	0.9
197.13251	3.0
200.04674	17.4
215.07011	100.0
215.10544	4.5
215.14281	13.0
215.17854	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	215.1066
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
55.01867	0.6
60.31739	0.8
61.56612	0.6
70.72411	0.6
83.04926	0.7
91.05485	1.3
93.07059	1.2
105.07006	3.1
111.81631	0.8
117.06975	1.5
119.08588	1.7
120.15350	1.0
122.81430	0.7
128.06184	1.6
129.06969	1.9
131.08568	5.3
132.95815	0.8
141.06979	16.1
142.07777	27.8
143.08508	6.0
145.06494	1.5
145.10109	4.9
154.07753	14.8
155.08542	25.6
155.09807	1.0
156.09387	7.5
157.10149	1.6
159.08038	9.3
159.11662	6.2
165.67867	0.7
167.08415	1.1
169.10109	100.0
170.10869	8.3
171.08040	1.7
171.11714	1.8
172.08864	3.4
173.09648	13.0
173.13264	1.2
182.10924	0.8
187.11148	8.6
187.14835	1.5
197.09642	7.0
197.13281	1.6
200.08261	3.6
215.10669	77.0
215.14165	21.2
215.17749	1.2
215.25575	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	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.82018	0.7
55.05512	1.8
57.03435	1.3
62.61642	0.7
67.05514	1.0
69.07079	0.9
79.05479	1.4
81.03429	1.8
81.07059	7.9
84.71458	0.9
91.05465	4.6
92.17917	1.1
93.07030	5.6
95.08601	9.4
105.07018	9.8
107.04953	4.6
107.08591	5.7
109.06525	1.3
115.05387	0.8
117.07002	3.9
119.08595	11.1
121.06496	6.8
129.06984	1.6
131.04942	2.1
131.08574	17.9
133.06474	6.6
133.10139	3.6
135.08104	1.0
141.41339	0.9
143.08574	12.9
145.06506	6.2
145.10118	21.4
147.08061	8.8
155.08575	7.5
156.09337	1.0
157.10127	6.0
159.08057	17.6
159.11716	6.9
167.08482	1.1
168.09341	1.5
169.10147	7.1
171.11729	3.8
173.09619	14.8
173.13214	15.2
182.10931	6.0
185.13362	1.2
185.38393	0.9
186.10432	1.2
187.11195	1.4
187.14844	8.7
191.99635	1.1
197.13277	13.2
200.12091	1.2
215.10710	4.8
215.14313	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	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.41314	1.5
67.05505	41.0
69.14800	1.5
74.09695	1.9
85.41505	1.7
86.35010	1.6
95.04964	86.9
99.88278	1.6
105.06992	3.2
119.08566	49.4
121.10138	9.7
131.08536	3.7
131.52765	2.0
132.95844	1.9
133.10123	100.0
145.10114	16.7
156.09264	2.1
157.10114	8.2
159.08055	3.7
159.11684	9.7
169.10110	6.7
171.11656	10.5
172.08833	3.6
172.12491	2.4
173.09647	11.6
173.13223	3.1
182.10881	7.4
185.13272	2.7
186.10423	1.6
187.11180	8.9
187.14786	17.7
197.09552	2.8
197.13309	11.3
200.11940	10.8
215.07034	1.9
215.10822	22.7
215.14301	87.0
215.17926	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	216.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39452	1.5
65.19319	1.5
82.01432	2.3
89.26686	1.6
98.89405	1.8
100.02467	2.3
101.00886	27.4
111.95342	2.2
112.02464	10.6
113.00854	3.0
118.03506	2.7
119.01914	55.8
126.04002	33.0
130.03505	25.6
131.01900	33.4
137.02887	7.6
141.73235	1.7
144.03920	3.5
144.05064	100.0
148.04485	2.0
149.02904	4.0
154.03488	8.7
156.01411	19.3
162.06122	8.7
170.02966	49.5
172.04616	4.3
173.02942	8.6
174.02483	31.5
175.04556	3.7
179.99066	8.6
188.04030	28.0
190.05690	1.8
191.04018	2.7
192.03528	3.0
193.10222	1.9
198.00151	21.6
199.00870	12.2
216.01390	6.4
216.03513	46.9
216.05438	4.3
217.01936	10.1
234.04495	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	216.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99887	1.2
56.96561	2.3
58.06605	14.2
63.94503	1.1
73.56763	1.2
74.09718	68.9
74.65234	1.0
84.06937	1.3
89.82570	1.3
93.88464	1.4
95.68177	1.2
98.97582	40.8
100.07595	6.3
116.98646	8.6
125.61755	1.1
142.01718	3.0
160.02882	2.4
174.04381	7.7
175.05225	2.2
216.05429	100.0
234.06496	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88248	0.3
57.07083	4.1
58.06357	0.5
58.06606	9.5
71.08612	1.5
72.08138	2.3
76.07646	8.4
85.10159	0.7
133.92937	0.3
140.22545	0.3
174.30083	0.4
198.22137	3.4
209.97072	0.3
216.23212	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	217.0682
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
61.20009	1.8
65.76448	1.7
67.53952	1.8
69.32758	1.7
102.79036	1.9
125.23061	2.1
183.95071	2.0
205.10835	2.0
217.06816	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	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
97.27860	2.3
135.81308	2.1
166.16478	2.2
217.06807	100.0
218.16666	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	217.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71381	0.6
61.01448	0.7
61.30411	0.9
61.31030	0.8
63.11795	0.8
79.16368	0.9
101.00856	1.5
107.67956	0.9
114.85793	0.8
145.03456	2.2
156.97531	6.5
174.98544	1.4
198.98515	5.9
200.45322	1.0
216.99561	3.5
217.06830	100.0
230.99365	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	217.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18693	0.5
63.17068	0.5
65.02061	0.5
69.03400	0.8
74.04440	0.5
83.05022	0.5
85.02926	0.5
93.63478	0.5
98.37035	0.6
111.04458	0.9
159.16101	0.5
199.07675	0.8
217.04979	2.3
217.06889	22.5
217.10475	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	217.1588
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.98264	0.9
55.05511	1.4
61.77556	1.1
67.05514	1.2
69.07058	7.6
70.86077	1.0
81.03413	8.5
81.07049	5.7
83.04965	1.3
83.08584	1.0
91.05473	4.6
93.07034	6.3
95.04959	2.5
95.08591	7.4
97.06519	1.7
104.84455	1.4
105.07037	13.3
107.08574	11.0
109.06525	7.2
109.10129	3.8
117.07017	2.2
119.08585	19.5
121.06490	2.7
121.10110	4.4
123.08021	1.2
123.11710	6.0
128.06241	1.6
129.06953	1.3
131.08586	14.7
133.06456	4.6
133.10110	13.0
135.08064	5.1
135.11678	6.7
143.08545	6.9
145.10132	18.7
147.08035	14.9
147.11676	9.5
149.09537	1.4
157.10130	17.6
159.07945	1.2
159.11664	10.9
161.09637	12.5
161.13280	2.5
170.10857	1.4
171.11655	6.2
173.13260	6.3
174.10410	2.3
175.11160	6.6
184.12509	1.6
187.14859	14.7
189.12836	2.7
189.16388	14.5
199.13155	0.9
199.14818	40.7
217.15871	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	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
55.05497	1.9
55.83192	0.8
57.91942	0.9
68.10361	0.8
69.07058	5.9
70.10594	0.8
74.60572	0.9
79.05488	3.4
80.29370	1.0
81.03400	5.7
81.07062	7.1
83.08595	1.2
91.05451	4.7
93.07051	6.6
94.69392	1.1
95.04929	4.6
95.08601	11.6
105.07027	16.0
107.04906	1.2
107.08588	8.4
109.06498	5.8
109.10132	4.3
111.08047	1.2
117.07014	3.8
119.08579	18.0
121.06479	4.8
121.10127	4.3
123.08112	1.5
123.11687	3.9
129.06979	2.2
131.08566	12.6
133.06453	3.9
133.10126	14.4
135.08025	5.0
135.11668	5.1
137.09541	1.1
142.07811	1.7
143.08528	7.9
145.10126	19.0
147.08046	18.9
147.11673	11.9
149.09570	1.6
156.09256	1.4
157.10100	16.6
159.11674	17.4
161.09595	16.8
161.13200	3.6
171.11667	9.1
173.13293	6.6
174.10364	3.6
175.11220	8.2
175.14850	1.4
184.12474	1.7
187.14842	12.5
189.12671	1.3
189.16365	15.7
193.20418	1.0
199.14804	20.7
217.08524	1.9
217.10320	1.5
217.12337	3.9
217.15854	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	217.1586
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
54.54809	0.7
55.05519	1.3
55.12249	0.7
57.07061	0.8
57.13431	0.7
66.59156	0.7
68.18770	0.8
69.07057	4.7
79.05498	0.7
81.07052	1.6
83.08626	1.2
91.05500	1.2
93.07041	1.4
95.08598	1.5
105.07045	6.9
107.08611	1.8
109.06551	1.0
109.10152	1.0
109.19157	0.8
117.06984	1.5
119.07751	1.3
119.08570	23.9
121.06555	1.1
123.08002	1.2
129.06984	1.1
131.08557	22.1
133.06487	0.9
133.10117	4.7
135.08061	3.7
143.08545	4.0
145.10136	7.2
147.08038	11.5
147.11649	1.5
149.09572	0.9
157.10121	6.0
159.11671	4.4
161.09610	6.1
171.11656	1.8
173.13217	4.2
175.11201	1.7
175.14847	0.9
187.07516	0.8
187.14816	3.9
189.16406	4.5
199.14796	12.2
217.10161	4.4
217.12341	2.9
217.15868	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	218.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08119	0.4
55.05519	28.6
55.16262	0.4
55.34591	0.5
62.34992	0.4
83.04981	100.0
90.77856	0.5
92.17951	1.1
115.08442	0.5
118.06541	8.7
158.50499	0.5
218.11873	8.2
218.15396	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	218.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05522	28.2
82.92709	0.3
83.04986	100.0
91.05476	0.5
92.18604	0.6
103.56207	0.3
118.06530	8.3
119.13805	0.4
136.07562	0.7
141.62009	0.4
179.20387	0.3
191.76581	0.4
212.88358	0.4
218.11819	8.0
218.16081	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	218.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72585	0.4
53.03943	0.8
55.05519	33.3
55.06995	0.4
83.04981	100.0
91.05479	0.9
92.75958	0.5
118.06538	8.0
136.07588	0.8
182.01218	0.4
203.08504	0.8
218.11926	6.1
218.15353	0.5
238.99005	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	218.1178
Annotation	Glutethimide
Peak:m/z	Relative Intensity
61.86576	0.4
64.08913	0.4
78.95918	0.5
83.85660	0.4
87.88966	0.4
95.08689	0.4
108.61995	0.5
112.02425	0.4
126.29809	0.5
132.08064	1.7
135.92664	0.5
145.45589	0.4
153.93596	0.5
168.65939	0.4
188.07037	0.8
189.07886	4.5
190.08635	50.3
200.52946	0.5
218.11771	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	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33189	0.2
56.96575	0.6
57.03447	1.7
58.06624	0.3
60.08167	8.7
77.92115	0.2
81.03409	0.3
85.02908	100.0
98.97588	22.7
116.98616	10.6
128.01782	0.3
129.09987	0.3
132.95869	0.4
134.99660	3.6
140.00214	1.3
140.98462	0.3
144.10220	2.5
158.01271	1.6
158.99640	1.2
159.06522	10.4
176.02280	0.3
176.99158	0.4
177.00703	2.2
194.99817	1.1
195.01781	0.5
200.02304	0.4
218.07013	0.3
218.13847	24.1
218.15369	0.9
224.50955	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	218.1389
Annotation	(plusmn)-Propionylcarnitine
Peak:m/z	Relative Intensity
50.44397	0.3
56.96561	0.4
57.03448	1.3
60.08166	8.1
71.78033	0.3
83.70188	0.3
85.02905	100.0
98.97581	16.0
100.45623	0.3
105.72221	0.3
116.98612	7.0
119.06396	0.3
134.99611	1.3
140.00182	0.5
144.10199	2.5
158.01263	0.4
158.99629	0.5
159.06509	11.4
177.00703	1.5
195.01727	0.4
200.04178	0.3
200.12787	0.3
218.13853	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59003	0.4
57.07086	3.5
70.06599	6.2
71.08634	3.4
78.23495	0.5
88.07629	14.8
102.09164	4.0
106.08679	10.2
114.24268	0.4
125.76952	0.4
130.77792	0.4
174.18465	0.8
179.60916	0.4
200.20070	8.7
218.21144	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	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59579	0.3
57.07080	3.5
58.58855	0.4
65.89017	0.4
69.07041	0.4
70.06595	6.5
71.08636	3.3
77.04699	0.4
88.07634	15.9
91.01427	0.4
92.18498	0.6
102.09185	5.8
106.08664	11.4
147.02704	0.4
174.18478	2.1
192.83435	0.4
200.20081	10.0
218.21144	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23687	39.4
54.84138	41.9
56.67397	42.1
57.62126	44.2
59.93499	46.0
64.10291	40.7
64.71220	39.7
74.21574	43.0
130.03073	48.3
171.38795	48.5
183.76932	46.4
219.02718	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03477	0.7
55.01868	2.0
56.66150	0.7
61.02679	1.1
61.02931	18.5
71.01353	35.4
75.04482	59.7
87.04464	22.0
89.02396	10.8
94.33682	0.8
101.05991	1.2
103.03942	82.7
113.08981	0.9
131.03413	14.6
148.28325	0.9
159.02878	100.0
187.02356	11.3
219.04990	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
64.14384	1.6
72.13337	1.4
91.05489	2.3
91.94173	1.3
93.34638	1.3
105.15025	1.3
115.05497	1.9
116.06178	1.7
127.70480	1.5
129.06999	23.4
131.04909	2.8
131.08568	25.6
137.05945	2.6
141.06981	18.7
144.05688	2.6
145.06529	1.5
157.06496	18.2
158.07300	11.3
159.08043	22.8
160.05186	2.2
161.09660	2.3
167.80659	1.4
169.06451	14.2
170.07283	6.5
174.06746	69.7
175.07518	14.6
185.56770	1.3
186.06769	12.7
188.08356	2.7
189.09096	93.9
191.10698	3.3
195.47061	1.5
201.09106	43.1
210.79601	1.3
216.26590	1.5
219.10158	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	219.1017
Annotation	Toxol
Peak:m/z	Relative Intensity
55.05523	1.6
69.03394	1.6
71.04968	6.8
75.04471	2.4
81.03425	20.1
85.02845	2.1
85.15163	1.4
91.05482	6.1
93.00396	1.5
93.07033	2.3
99.04419	6.6
103.05411	1.7
105.07034	5.6
107.08591	5.9
109.02843	9.8
109.03517	1.5
115.05389	2.4
117.06965	2.0
119.08577	1.5
121.10153	1.6
128.06171	2.7
129.07001	22.1
131.04872	3.0
131.08562	32.5
133.10063	2.4
135.08054	3.4
137.05984	2.6
141.06992	18.9
143.08521	2.6
144.05629	2.1
145.06474	2.3
145.10124	2.2
157.06441	19.5
158.07248	9.5
159.08044	26.8
159.11626	3.0
160.05119	3.1
161.09540	2.7
161.13174	1.8
163.07521	3.6
169.06493	13.4
170.07227	3.0
173.06064	2.0
173.09503	1.7
173.13235	6.4
174.06744	56.9
175.07578	12.7
177.12675	1.9
186.06714	11.9
188.08318	2.2
189.09099	100.0
191.10608	3.5
191.14240	3.1
201.05249	1.6
201.09091	41.3
201.16344	7.7
219.03017	1.9
219.06757	17.4
219.10120	87.5
219.13560	22.0
219.17352	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.30137	0.9
68.08114	1.0
79.05511	1.2
81.03408	1.3
89.30449	1.1
89.47510	1.0
91.05479	2.4
92.98763	1.0
95.08598	1.6
96.89635	1.1
97.68188	1.0
105.07016	2.4
109.02885	1.6
109.10163	1.2
115.05397	2.0
119.08553	5.0
121.10133	1.3
128.06175	2.6
129.06998	26.1
131.04926	2.5
131.08572	33.2
133.10153	1.7
134.66409	1.4
137.05980	1.5
141.06975	21.2
144.05724	1.9
145.06485	1.7
145.10127	2.3
146.07286	1.7
157.06490	18.0
158.07278	10.8
159.08052	25.0
159.11674	4.5
160.05156	4.6
161.09602	7.1
162.06664	1.9
163.07513	2.5
169.06480	12.5
170.07260	6.7
173.09624	1.7
174.06757	62.2
175.07541	34.9
177.09099	1.9
186.06752	14.6
188.08336	2.6
189.09100	100.0
191.06947	2.0
191.10634	5.6
201.09102	44.3
201.16412	4.6
213.87054	1.2
219.10152	99.1
219.17334	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	219.1338
Annotation	Ser Leu
Peak:m/z	Relative Intensity
57.90400	0.6
60.04530	100.0
60.60127	0.5
71.04942	0.6
80.28767	0.5
81.03397	3.6
83.97623	0.7
85.02895	1.4
86.09705	78.4
87.05601	5.2
87.06024	0.6
91.05467	0.6
95.37514	0.6
98.97594	0.7
99.04456	0.7
101.11738	0.5
109.02839	2.4
126.60053	0.5
128.10742	4.3
132.10196	62.9
173.12845	27.7
177.12671	0.6
201.12350	6.8
219.13461	14.9
225.93826	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	219.134
Annotation	Lysopine
Peak:m/z	Relative Intensity
51.28603	0.8
53.13388	0.8
55.05509	4.2
56.96566	8.9
72.08154	24.1
73.06548	9.0
75.27795	0.9
79.62180	0.9
80.87971	0.9
81.03414	5.1
81.48965	0.9
83.06101	26.5
84.04501	100.0
85.02886	6.6
86.03207	1.3
86.62624	1.0
90.09186	97.4
95.04919	1.1
98.97585	18.4
99.97919	1.9
102.05520	3.7
109.02866	4.7
115.00654	1.9
116.98637	6.8
129.06602	16.7
130.04990	72.9
135.08144	1.1
136.93103	8.3
140.98611	1.6
141.00053	0.9
154.94153	11.1
155.00111	1.7
155.11798	1.6
156.10194	7.8
158.99620	5.8
159.02896	1.6
172.95319	9.7
173.01193	1.2
173.13037	1.1
177.00653	5.2
177.04247	1.5
182.99666	1.8
190.96304	1.3
194.17453	0.9
201.00664	4.2
201.12328	50.6
202.10715	17.5
204.09523	1.2
219.01758	3.9
219.05066	1.2
219.13451	31.1
219.17352	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	219.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46681	0.9
54.40917	0.9
55.05513	2.1
56.05041	1.1
56.96558	6.5
57.03443	1.1
57.88515	0.8
60.36657	0.8
71.01333	1.2
71.05005	1.4
72.08157	25.0
73.06562	10.2
74.91679	0.9
75.04478	1.4
81.03426	11.5
83.06102	28.9
84.04504	99.8
85.02887	6.7
86.03217	2.0
90.09187	100.0
92.04964	0.9
94.73766	1.0
98.97580	13.2
99.04434	1.2
99.19075	1.0
99.97913	2.4
102.05521	5.6
103.03954	2.1
109.02870	6.8
110.97559	1.1
116.98621	6.9
129.06598	20.2
130.04999	75.6
136.93147	4.0
140.98573	1.5
141.05519	1.5
151.09459	1.1
154.94165	6.3
155.00214	1.3
155.11803	4.5
156.10204	10.3
158.99644	5.3
159.02875	2.0
172.95244	5.5
173.01134	1.4
177.00716	2.2
182.99725	1.5
184.09746	1.0
187.05597	1.0
191.14348	1.2
198.97182	1.1
201.00717	4.7
201.12338	52.9
202.10704	17.3
219.13458	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.39688	0.8
54.13253	0.9
55.05509	1.2
63.36271	0.9
67.05488	1.4
69.07055	2.4
70.00652	1.0
79.05483	2.1
81.03423	1.3
81.07054	11.1
81.70489	0.8
83.07867	1.1
91.05450	2.0
93.07030	7.9
95.08589	8.3
97.06526	1.4
105.07041	11.0
107.08607	9.0
107.66531	1.2
109.06585	1.0
109.10158	5.1
119.08559	8.6
121.06480	1.0
121.10152	7.8
123.08068	1.6
131.08551	5.1
133.10144	7.2
135.08029	1.3
135.11685	6.5
143.57266	1.0
145.10103	10.6
147.11732	1.7
149.09668	1.7
159.11684	12.4
161.13263	7.1
163.11104	1.8
173.13229	6.6
175.14810	3.6
189.09029	1.3
201.05244	0.9
201.16396	13.9
203.14311	23.3
204.09319	5.7
219.08179	1.2
219.11832	10.1
219.13881	3.4
219.17438	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	219.1744
Annotation	Isopetasan
Peak:m/z	Relative Intensity
54.22424	1.1
55.05503	1.9
57.07074	1.4
59.04979	1.3
67.05481	2.8
69.07076	12.2
69.12057	1.1
71.04988	1.4
80.15222	1.3
81.07067	11.4
83.08617	2.6
91.05441	1.9
93.07043	10.6
95.08602	31.7
105.07034	10.6
107.08590	14.8
109.06499	3.1
109.10165	28.9
113.09624	6.3
113.45472	1.4
119.08601	15.9
121.06486	2.0
121.10139	23.4
123.08039	2.7
123.11678	8.5
123.33857	1.3
131.08562	7.1
133.10098	11.4
135.08038	7.8
135.11661	14.0
137.09627	1.9
145.10135	13.3
146.76530	1.4
147.11665	8.3
149.09616	3.1
159.11668	11.2
161.13257	11.8
163.11188	12.1
173.13211	5.6
175.14816	2.2
177.12753	7.9
177.16322	1.5
177.45599	1.3
191.14308	100.0
191.17918	24.3
201.16357	25.2
219.11679	5.7
219.17421	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(-)-Lepidozienal
Peak:m/z	Relative Intensity
56.66169	0.6
57.07091	0.7
58.39371	0.5
59.63441	0.5
67.05484	0.8
67.66074	0.5
69.07064	5.2
81.03422	11.7
81.07059	5.3
83.08607	0.8
91.05492	1.1
93.07018	3.1
95.04967	6.9
95.08591	9.3
97.06506	1.0
104.21758	0.6
105.07044	4.4
107.08580	4.8
109.06505	1.0
109.10172	5.8
115.39299	0.6
119.08577	5.1
121.10127	4.9
123.08048	3.0
123.11718	5.6
125.13251	1.3
131.08521	2.3
133.10141	2.6
135.08057	1.0
135.11691	2.9
137.09599	1.4
137.13260	4.5
144.62280	0.6
145.10104	5.8
147.11687	0.9
149.09583	2.3
149.13231	1.3
159.11687	3.9
161.13254	6.4
163.11174	2.3
163.14754	2.6
173.13312	1.0
175.14786	1.3
189.16356	0.8
191.17947	0.9
201.16333	8.8
217.25951	0.5
219.11800	4.8
219.17430	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.07343	1.1
53.22396	1.1
53.80710	1.1
55.05508	2.9
57.03436	1.4
57.16018	1.2
67.05235	1.0
67.05510	15.4
69.03428	2.0
69.07060	10.4
71.04984	2.6
75.54536	1.2
77.03854	1.3
79.05472	9.6
81.03408	2.6
81.07054	26.9
83.04967	1.9
83.08596	1.8
85.06535	5.2
91.05470	17.1
93.07036	26.2
95.04955	6.4
95.08611	33.7
97.06509	9.4
105.07029	29.3
107.08594	27.6
109.02871	3.3
109.06487	2.2
109.10155	22.4
111.08062	6.4
115.05418	5.1
117.06982	7.6
119.08590	19.8
121.06493	3.2
121.10138	21.8
123.04380	3.4
123.08025	5.5
123.11643	5.7
125.02335	2.1
125.09605	2.3
128.06192	2.7
129.06985	12.9
131.08563	41.6
133.10123	25.1
135.04349	1.6
135.08038	5.7
135.11691	16.3
137.09576	2.5
141.07004	14.3
143.08533	2.9
144.05742	2.4
144.09216	1.8
145.06424	2.7
145.10126	32.5
147.11664	8.7
149.09595	6.3
149.13222	3.2
151.03903	100.0
157.06464	13.8
157.10081	2.3
158.07219	9.8
159.08044	22.5
159.11690	39.1
161.09671	2.5
161.13251	21.6
163.07526	6.0
163.11140	7.7
165.05396	2.6
169.06493	10.8
170.07242	2.5
173.05928	2.4
173.09473	1.7
173.13232	18.2
174.05353	2.2
174.06763	39.3
175.07526	7.2
175.14854	10.7
177.05411	6.2
177.09006	2.0
177.12714	6.7
177.16319	2.1
178.07729	5.3
186.06746	8.9
188.08281	2.0
189.07193	3.2
189.09093	71.5
190.07736	2.6
191.08542	6.7
191.10666	6.5
191.14305	6.2
191.17874	3.1
201.09061	27.3
201.12862	5.3
201.16386	47.3
203.08556	14.8
204.09344	61.6
219.06772	2.6
219.10046	66.0
219.11703	98.4
219.13795	9.5
219.17410	88.8
219.19012	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03966	2.6
55.05510	4.9
57.03446	2.1
61.64118	1.8
67.05504	3.7
67.91144	2.0
69.03419	2.9
69.07076	8.4
71.04983	4.1
72.13130	2.2
79.05491	9.8
81.03413	13.9
81.07056	24.0
81.13137	2.1
83.08609	9.1
91.05470	10.2
93.07039	20.3
95.04970	3.9
95.08595	30.9
97.06537	4.8
99.08089	2.4
99.75385	2.3
105.07031	37.1
107.08578	31.0
109.02883	8.8
109.06490	4.7
109.10154	34.6
111.08072	8.6
117.07004	3.9
117.33100	2.0
119.08569	41.3
121.10104	26.7
123.08061	5.1
123.11648	3.3
129.06995	13.0
130.07724	2.1
131.08578	30.6
133.10158	21.3
135.08035	5.0
135.11674	18.8
137.09608	3.2
141.06992	10.4
144.64178	2.4
145.10121	50.7
146.07350	2.0
147.11679	17.4
149.09589	9.4
157.06480	10.0
158.10829	2.3
159.08055	13.1
159.11676	72.3
161.09543	3.3
161.13216	31.5
163.07501	3.1
163.11163	9.6
163.14803	2.7
168.68221	2.1
169.06390	3.6
173.09689	3.3
173.13255	17.7
174.06750	23.6
175.07515	13.4
175.14793	9.7
177.09036	3.8
177.12721	4.2
181.33862	2.1
186.06770	3.5
189.09076	49.8
189.16399	4.3
189.32347	2.4
191.10666	2.4
191.14369	3.2
191.17946	15.2
201.05443	3.2
201.09103	17.8
201.12682	3.7
201.16359	49.8
219.06511	26.2
219.10081	45.9
219.11969	4.1
219.13812	28.9
219.17422	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.92654	1.4
55.05513	10.6
57.03436	1.4
57.07068	1.6
65.12939	1.4
67.05512	15.9
69.07066	17.1
71.04985	2.5
72.67664	1.5
79.05476	11.4
79.66805	1.5
81.07057	37.4
83.04966	2.9
83.08595	3.6
85.06532	2.2
88.07626	1.8
91.05460	10.9
93.07047	37.4
95.04950	9.6
95.08601	49.0
97.06524	10.7
97.10108	1.5
105.07025	34.7
107.08585	35.6
109.02868	2.1
109.06511	5.3
109.10152	43.2
111.08057	6.5
113.80048	1.5
117.06997	8.6
119.08572	32.3
121.06501	6.9
121.10136	27.1
123.08099	10.2
123.11681	8.6
125.09632	3.3
129.06978	6.7
131.08568	26.2
133.10117	24.5
135.08034	9.1
135.11684	20.8
141.06967	3.0
145.10126	48.6
147.11661	14.1
149.09622	7.3
149.13286	6.7
151.03885	3.4
157.06491	2.5
157.10147	2.0
158.10899	1.8
159.08055	10.0
159.11667	55.2
161.13242	20.3
163.11165	6.0
169.06506	5.3
172.12512	2.1
173.13258	21.6
174.06696	11.3
175.14828	20.4
177.12785	2.2
177.16364	2.7
186.06721	2.6
189.09085	23.1
191.17943	2.9
201.09058	9.0
201.16374	65.7
201.20384	1.6
204.09283	6.9
219.09798	20.6
219.11720	15.7
219.13829	8.1
219.17432	100.0
219.21451	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.63210	1.4
55.05502	8.6
67.05488	11.0
68.01576	1.5
69.07065	14.5
71.05001	1.4
74.43410	1.8
74.56189	1.3
76.84073	1.8
79.05479	9.0
81.06648	2.0
81.07057	37.6
83.04969	3.0
83.08610	2.3
91.05464	11.5
92.18530	2.6
93.07046	30.8
95.04964	14.7
95.08612	41.7
97.06497	7.4
105.07034	38.1
107.08598	36.2
109.06495	8.2
109.10144	33.1
111.08031	6.2
112.38125	2.0
117.06999	7.0
119.08578	33.4
119.86262	1.6
121.10138	30.3
123.08044	8.0
123.11707	6.2
129.06982	3.2
131.08554	24.1
133.10107	23.4
135.08031	3.0
135.11700	16.1
137.09637	2.6
141.06982	2.6
145.10120	52.2
147.11656	17.6
147.66222	1.8
149.09598	3.5
149.13254	3.7
151.03885	26.9
157.06424	2.2
159.08040	7.0
159.11691	48.8
161.13245	30.4
163.07454	1.9
163.11171	8.8
163.14740	2.0
169.06494	1.8
173.09692	1.6
173.13245	16.2
174.06676	6.9
175.07524	2.5
175.14827	17.7
177.05495	5.8
177.12791	3.4
177.16362	2.3
189.09119	13.0
191.14207	1.8
191.17940	6.6
201.09120	4.0
201.14507	2.8
201.16379	63.0
204.09300	8.8
219.09833	17.5
219.11720	14.8
219.13803	11.1
219.17426	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.00497	1.5
52.85748	1.6
55.05503	7.7
57.07063	1.8
61.23434	1.7
63.45566	1.6
67.05511	12.6
69.03422	2.0
69.07039	9.6
70.57645	1.4
71.04979	1.8
78.43018	1.5
79.05498	11.4
81.07053	30.1
83.04961	2.6
83.08613	2.7
85.06520	2.1
91.05484	9.1
93.06609	1.6
93.07040	27.0
95.04916	2.6
95.08039	1.6
95.08603	36.1
97.06501	3.5
97.10179	2.4
105.07029	33.2
107.08582	30.7
109.06476	6.8
109.10146	39.6
111.08089	9.6
117.06248	1.7
117.07003	9.6
119.08577	24.3
121.10140	29.9
123.08060	3.7
123.11681	8.9
125.09598	3.7
131.08577	23.4
133.10117	20.6
135.08031	2.4
135.11688	20.4
137.09578	3.7
145.10120	39.2
145.11230	3.0
147.07974	1.6
147.11714	14.5
149.09569	3.4
149.13240	8.7
159.11678	41.8
161.13278	23.0
163.11159	10.2
173.13275	12.9
175.14821	2.8
177.12741	7.5
189.09009	2.7
191.17973	6.0
201.16368	70.3
219.10036	2.6
219.11888	3.0
219.17422	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05502	3.7
67.05499	6.7
69.07047	10.3
71.04963	2.5
71.94904	1.4
75.42403	1.6
76.89995	1.7
79.05475	9.1
81.07057	25.2
83.08601	2.1
84.82712	1.4
85.06571	1.7
91.05485	3.7
92.17872	3.4
93.07027	19.2
95.04953	1.6
95.08601	33.9
97.06510	2.1
102.13384	1.7
105.07025	22.8
107.08598	25.3
109.06530	6.6
109.10167	15.6
111.08047	3.7
117.06992	5.8
119.08573	25.8
121.10116	19.8
123.08048	7.5
123.11707	3.2
125.09588	2.8
131.08565	17.1
133.10115	24.0
135.08075	3.0
135.11694	21.9
137.09697	3.0
145.10103	37.5
147.11667	11.2
149.09584	3.3
149.13304	2.6
151.03888	3.1
159.11673	30.0
161.13231	20.3
163.11168	8.8
173.13249	16.4
174.06755	1.7
175.14778	19.3
177.16403	3.6
189.16418	1.8
191.17967	7.0
201.16373	73.5
219.10130	6.6
219.11887	3.3
219.14059	2.7
219.17430	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	219.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39688	0.8
54.13253	0.9
55.05509	1.2
63.36271	0.9
67.05488	1.4
69.07055	2.4
70.00652	1.0
79.05483	2.1
81.03423	1.3
81.07054	11.1
81.70489	0.8
83.07867	1.1
91.05450	2.0
93.07030	7.9
95.08589	8.3
97.06526	1.4
105.07041	11.0
107.08607	9.0
107.66531	1.2
109.06585	1.0
109.10158	5.1
119.08559	8.6
121.06480	1.0
121.10152	7.8
123.08068	1.6
131.08551	5.1
133.10144	7.2
135.08029	1.3
135.11685	6.5
143.57266	1.0
145.10103	10.6
147.11732	1.7
149.09668	1.7
159.11684	12.4
161.13263	7.1
163.11104	1.8
173.13229	6.6
175.14810	3.6
189.09029	1.3
201.05244	0.9
201.16396	13.9
203.14311	23.3
204.09319	5.7
219.08179	1.2
219.11832	10.1
219.13881	3.4
219.17438	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	219.1744
Annotation	[1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde
Peak:m/z	Relative Intensity
55.05520	0.9
55.87338	0.8
56.12577	0.8
57.07035	0.9
60.17350	0.9
69.07063	9.5
70.96254	1.0
72.07414	0.9
79.05510	0.9
81.03424	30.3
81.07037	6.4
83.08630	3.1
91.05450	1.0
93.07049	4.2
95.04962	8.2
95.08597	8.7
105.07017	4.0
107.08576	5.2
109.06526	2.5
109.10142	6.3
116.83841	1.1
119.08545	4.7
121.10132	5.9
123.08057	1.9
123.11654	1.2
125.13271	8.2
131.08542	2.0
133.10081	1.4
133.12793	1.0
135.08015	2.4
135.11642	4.4
137.09625	8.4
137.13222	1.3
145.10114	5.4
149.09604	5.2
149.13310	1.2
159.11670	4.5
161.13242	10.1
163.11180	1.1
163.14828	1.7
175.14793	1.8
183.19612	1.2
189.16335	1.3
201.16426	9.5
219.17430	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	219.1744
Annotation	Occidol
Peak:m/z	Relative Intensity
63.15228	2.8
65.77612	4.6
69.07038	19.2
75.33597	3.1
79.05494	3.0
81.03399	18.7
81.07044	6.4
85.91245	3.7
87.04352	3.4
93.07011	6.8
95.08588	18.2
105.07000	14.4
107.08569	17.0
109.02923	4.0
109.10162	17.2
119.08546	14.6
121.10124	7.9
131.08566	7.0
133.10121	18.5
135.08018	7.1
135.11708	8.7
137.09612	7.6
145.10104	28.8
147.11720	3.7
149.09596	6.6
159.11703	19.6
161.13295	7.5
175.14694	3.5
191.17885	4.1
201.16418	30.0
203.08481	13.4
204.09320	34.0
219.09972	5.9
219.11670	78.6
219.13737	26.9
219.17422	100.0
236.36719	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	219.1742
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.05503	4.3
55.99718	1.0
57.07063	2.0
67.05499	10.2
69.03422	2.4
69.07043	5.4
70.84322	1.0
71.04996	1.1
73.11912	1.1
79.05489	11.9
81.03408	6.0
81.06644	1.7
81.07058	26.7
83.08604	2.7
85.06510	1.5
91.05477	13.0
93.07040	23.9
95.04956	1.8
95.08598	10.6
96.52494	1.1
97.10115	1.9
105.07007	7.2
107.04940	4.8
107.08588	15.3
109.02870	1.3
109.06484	9.2
109.10129	7.2
117.06995	5.9
119.01836	1.3
119.08562	8.2
121.06486	18.4
121.10107	9.9
123.08035	1.6
123.11711	4.5
131.08540	13.3
133.10094	5.2
135.08049	19.5
135.11665	6.3
137.13217	6.0
145.10132	11.4
147.11633	2.5
149.13225	4.4
151.11205	1.8
159.11699	13.4
161.13246	4.8
163.11157	4.9
169.66141	1.2
173.13200	1.8
175.14769	1.3
177.12692	2.2
189.09033	1.7
191.17915	4.7
201.16359	6.5
219.09843	1.5
219.11594	6.5
219.14183	8.5
219.17419	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	219.1745
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
52.81433	0.5
55.05505	0.7
63.20264	0.5
67.05508	0.6
68.31980	0.4
69.03439	0.6
69.07066	4.7
77.24155	0.5
79.05472	0.7
81.03420	8.2
81.07056	1.2
83.08627	0.6
91.05461	0.8
93.07022	2.3
95.04974	4.4
95.08611	4.3
97.06528	0.6
105.07010	3.7
107.08562	3.0
109.02894	0.6
109.10133	2.9
112.04626	0.6
119.08557	4.1
121.10126	3.5
123.08022	1.0
123.11701	0.9
125.13306	0.9
131.08600	1.7
133.10121	2.8
135.08035	1.2
135.11684	2.3
137.09619	0.8
137.13258	0.6
145.10086	2.6
147.11613	0.8
149.09634	0.8
159.11673	2.7
161.13283	4.8
163.11182	0.8
163.14798	0.9
173.13170	0.7
175.14830	0.9
177.12746	0.6
189.16357	0.9
191.14265	0.7
191.17899	0.8
201.16360	4.4
203.14307	18.4
204.09352	2.5
219.08101	0.9
219.11873	6.7
219.13857	2.7
219.17438	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	220.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14120	39.8
70.06584	100.0
73.02870	62.6
85.88454	35.1
87.70625	42.8
88.86134	45.1
95.14069	41.9
109.02904	49.2
110.73294	44.4
126.33568	48.5
168.24434	57.2
202.10741	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0969
Annotation	Trolline
Peak:m/z	Relative Intensity
55.20989	0.9
56.04784	1.2
56.05044	32.0
57.07067	1.7
57.82389	0.8
68.99786	1.3
74.06080	12.7
85.69260	0.9
91.05483	10.6
103.05464	1.1
103.07140	1.0
114.42115	0.8
117.05758	5.8
118.06538	1.2
119.04932	9.9
119.07260	1.0
132.08086	97.4
132.29129	0.9
134.09659	14.0
136.07570	4.1
150.09134	20.2
160.07581	4.9
165.73405	0.9
178.08629	38.4
192.10197	12.0
202.08656	2.0
205.09874	2.0
220.09706	100.0
220.12125	10.1
232.66830	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	220.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	34.2
56.91159	0.7
74.06077	10.9
79.05453	0.8
81.44570	0.8
90.21753	0.7
91.05484	8.2
93.47813	0.9
103.05463	1.9
117.05742	1.8
119.04923	7.7
132.08075	79.3
134.09644	9.9
139.54509	0.9
147.12233	0.8
150.09123	18.5
160.07520	3.1
174.09113	1.3
178.08624	29.6
178.10066	1.5
181.17406	0.9
192.10175	8.4
202.08607	1.9
204.09229	0.9
205.09802	7.0
209.02972	1.1
220.09691	100.0
220.12115	12.5
220.17781	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	220.0969
Annotation	Trolline
Peak:m/z	Relative Intensity
50.96125	0.9
52.28465	0.8
56.04778	1.4
56.05038	28.1
68.78640	0.9
74.06065	10.6
91.05462	5.4
103.05452	1.6
106.09857	1.0
117.05733	4.6
119.04894	6.2
132.08081	79.9
134.09647	11.7
143.62184	0.9
145.28169	0.9
150.09152	14.6
157.52817	1.4
160.07576	1.6
174.27567	0.9
178.08620	33.3
178.10999	1.2
192.10205	9.6
194.36703	1.0
202.08598	4.4
205.09731	1.5
214.85664	0.9
216.42903	0.9
220.09679	100.0
220.11906	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	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.03429	4.2
57.07071	3.8
59.04988	4.3
67.05508	1.9
69.07045	4.1
70.02948	1.5
71.38118	0.8
72.04508	11.8
73.02907	1.9
82.02570	1.0
85.06550	14.3
86.09694	1.6
87.08093	2.1
90.05553	100.0
92.18481	1.5
95.04945	4.8
96.08141	0.9
98.02417	15.5
100.03965	2.2
103.07604	10.0
113.05986	1.6
116.03432	9.0
124.07568	16.1
136.06187	28.2
140.15504	0.9
142.08659	9.1
150.95956	0.8
160.09627	1.5
166.08684	1.6
174.11267	1.7
184.09682	19.9
192.06609	6.9
202.10757	22.1
220.06133	1.4
220.11856	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1191
Annotation	trans-Zeatin
Peak:m/z	Relative Intensity
55.05476	0.4
56.96573	0.5
57.03439	6.5
57.07072	0.7
61.60906	0.4
62.56855	0.3
64.00854	0.3
65.31730	0.3
70.06583	0.4
70.77761	0.4
71.04975	2.0
73.06509	0.5
81.03416	0.9
84.02306	0.3
84.04490	2.2
85.02911	0.4
85.06041	0.8
85.06538	19.7
86.09679	2.1
97.02882	0.5
98.97554	0.5
108.01781	0.5
109.02869	0.9
136.06183	52.1
147.04347	0.8
148.04874	0.4
155.04607	2.8
156.13770	0.7
160.05977	0.9
164.05185	1.0
167.10802	0.4
174.05647	0.8
174.14864	3.6
192.06503	2.0
192.78717	0.4
202.10805	1.5
205.09717	0.4
220.11914	100.0
220.37796	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	220.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.3
57.03440	1.8
60.49319	0.8
61.02929	4.1
82.61009	0.8
83.08624	34.1
84.04533	1.3
85.02908	31.0
100.11237	13.0
102.05540	14.5
103.03933	6.7
118.12289	100.0
123.04411	1.1
137.17142	0.9
179.03368	1.4
192.06529	1.6
202.14348	25.2
213.26308	1.0
220.09738	1.4
220.15445	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1543
Annotation	Miglustat
Peak:m/z	Relative Intensity
55.05511	12.9
57.03430	1.1
59.04992	1.1
61.02911	5.4
65.31484	1.0
68.59361	1.1
83.08146	1.9
83.08617	29.0
84.04491	4.3
85.02458	1.8
85.02913	33.2
89.32948	1.1
96.94122	1.2
100.11262	16.0
101.09645	1.8
101.12611	1.1
102.05531	20.8
103.03938	6.3
118.12283	100.0
119.75169	1.1
132.04515	1.2
179.03439	2.4
202.14375	27.7
217.88385	1.1
220.15433	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
50.91273	0.3
52.41832	0.2
52.80810	0.3
55.21114	0.3
60.16326	0.3
88.00977	0.3
90.46190	0.3
101.81181	0.3
106.17369	0.3
118.06506	1.5
121.25683	0.3
132.08005	0.3
133.08920	0.5
133.31253	0.4
136.72165	0.3
160.11984	0.5
162.09148	1.9
174.13564	0.3
176.10692	0.6
176.14323	14.9
177.11513	1.2
190.09622	0.3
190.12254	0.7
220.16943	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	221.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53611	5.1
54.07335	5.0
91.08683	5.3
91.73151	5.8
104.10740	100.0
112.28013	4.8
221.02586	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	221.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35166	0.5
56.96560	3.8
98.97582	100.0
100.99155	1.0
104.10728	2.6
116.98607	18.3
134.99704	1.0
135.32393	0.6
143.00063	0.7
157.00925	1.4
161.01196	13.9
164.14833	0.6
171.85295	0.7
176.01797	0.8
179.02257	23.4
179.03745	1.2
197.03343	4.3
221.03325	12.7
230.10188	0.7
239.04433	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	221.0807
Annotation	6,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
52.34803	0.2
53.15207	0.2
57.28566	0.2
58.77100	0.2
63.50495	0.2
81.07031	0.5
91.05495	0.3
91.36617	0.3
93.06993	0.3
95.08585	0.5
105.07048	0.4
109.06538	0.3
109.75744	0.3
114.25082	0.2
119.08540	0.6
121.06467	0.3
129.57982	0.3
133.10124	0.5
137.72302	0.3
147.11688	0.5
157.37221	0.4
161.09583	0.3
175.07556	0.4
175.11150	0.4
175.14757	0.3
177.05441	4.9
178.07697	0.3
179.08504	1.1
180.87346	0.3
191.08479	0.3
192.09299	0.3
193.10233	2.0
203.10692	0.3
203.18013	0.3
205.04938	1.4
206.05721	30.1
206.10802	3.0
221.08047	100.0
221.13385	13.8
223.76514	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	221.0809
Annotation	5,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
53.00569	0.2
73.32732	0.3
74.91920	0.3
77.93532	0.3
85.68024	0.2
116.99309	0.3
178.06332	3.1
179.08606	0.5
181.10036	0.3
191.08540	0.5
193.10211	0.6
206.05701	3.7
206.10919	3.7
221.08078	100.0
221.13072	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	221.092
Annotation	Jasminine
Peak:m/z	Relative Intensity
119.70228	0.5
123.05531	1.1
124.03960	1.1
143.08545	1.0
145.06467	0.8
171.08028	3.1
175.05013	1.0
175.07529	2.9
176.05807	13.7
177.06587	26.5
177.09013	9.5
178.08652	0.9
203.08379	0.5
203.10666	4.8
221.09203	100.0
221.11377	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	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
54.35718	0.4
56.96561	0.4
63.98079	0.5
82.02920	0.9
85.06558	0.9
92.17809	0.6
94.06540	3.4
98.97559	0.8
104.05028	0.7
107.04932	0.7
121.58730	0.6
121.87914	0.5
130.06517	44.1
132.04439	24.7
136.06209	3.8
137.06595	1.6
138.33069	0.5
147.09177	1.0
148.07539	1.2
157.06528	1.0
157.07596	34.9
158.05995	75.0
161.05965	1.0
162.05527	0.7
175.08653	100.0
176.07002	2.3
185.07101	1.2
186.05513	2.4
203.08199	16.0
204.06503	5.3
221.09225	25.4
221.12178	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.94487	0.4
56.24276	0.5
67.20561	0.5
79.53577	0.5
82.02924	0.6
88.88321	0.6
91.05472	0.7
94.06564	3.1
95.01340	2.6
96.98167	0.5
99.04462	0.5
101.06019	2.2
103.05439	0.6
104.39155	0.6
105.07019	0.6
107.04971	0.6
115.05440	0.8
129.05458	1.0
130.06523	47.3
131.05002	0.9
132.04446	20.2
133.06523	0.8
138.05475	0.6
141.05518	0.7
147.07982	0.7
148.07574	3.2
148.26997	0.6
157.06345	1.4
157.07616	35.1
158.06009	68.6
161.05998	1.0
163.07542	1.1
175.05139	2.3
175.08665	100.0
176.07103	1.3
186.05499	2.9
191.06985	0.7
203.08208	12.6
203.96280	0.6
204.06580	3.7
216.25424	0.5
221.04538	2.6
221.09271	25.5
221.12654	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	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01888	11.1
57.07089	1.0
59.83678	0.8
63.04293	0.8
67.05518	8.9
69.03408	1.6
69.07047	2.1
73.02922	27.0
81.07040	4.7
83.04967	3.5
87.04468	21.1
91.05470	4.5
93.06994	3.8
95.04971	12.0
95.08584	3.7
97.06526	1.5
97.14769	0.9
105.05470	1.8
105.07061	11.4
105.84158	1.0
107.04930	1.7
107.08592	2.3
109.06500	4.1
109.10173	3.1
110.73489	1.0
111.04469	1.2
111.08065	1.3
115.05392	4.0
117.07006	10.1
119.08554	12.2
121.06490	2.1
121.10125	4.2
128.06195	6.1
129.06979	1.5
131.08533	1.6
133.06461	2.0
133.10133	13.7
135.08105	3.5
135.11632	1.1
137.05952	4.3
137.09645	1.6
143.08537	12.3
145.06502	6.8
145.10106	4.4
146.07256	5.8
147.08043	9.6
147.11632	1.4
149.05966	1.3
149.09590	2.4
159.07951	1.4
159.11655	1.3
160.05180	1.9
160.08800	4.8
161.05922	5.5
161.09622	14.0
161.13225	4.0
162.06734	10.3
163.07588	1.2
164.08307	1.4
165.09088	4.2
171.08073	3.8
173.13181	1.4
174.06776	1.2
175.07535	100.0
175.11159	17.8
175.14796	6.2
177.09106	43.9
185.11317	1.0
188.08313	4.9
197.39854	1.4
203.10648	31.8
203.14301	5.9
221.08052	4.0
221.11702	50.3
221.15050	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	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.04105	0.3
53.77922	0.3
64.07834	0.3
72.79987	0.3
80.04682	0.3
80.90804	0.4
89.82211	0.3
91.05462	0.6
103.66211	0.3
105.07021	0.6
109.80099	0.3
115.05403	0.6
117.07031	2.3
128.06212	2.2
128.14391	0.4
129.07030	0.4
131.04926	2.2
131.08542	0.6
131.56995	0.3
133.06476	0.4
135.07973	0.5
137.05981	2.6
142.07623	0.4
143.04904	1.3
143.08563	6.4
144.05659	0.4
145.06476	3.5
146.05896	0.3
147.04382	0.4
147.08105	0.4
151.07521	3.6
153.07031	0.4
159.08031	2.8
160.05194	0.5
161.05968	1.5
161.09563	0.5
162.06725	2.7
163.07538	4.2
163.63499	0.3
171.08029	9.9
174.06741	1.7
175.04201	0.4
175.07530	12.2
175.08954	0.6
177.09093	100.0
188.08304	0.7
189.09061	0.4
189.55344	0.4
191.10693	0.4
203.10628	12.6
212.67755	0.4
221.04442	1.2
221.08121	1.2
221.11679	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	221.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.7
56.96575	1.2
67.05497	1.5
67.87215	1.3
69.07102	2.1
81.07069	2.8
82.73061	1.1
85.75994	1.2
95.08638	7.2
97.06557	2.2
98.23838	1.3
101.49963	1.2
105.07066	2.8
107.08605	7.0
109.10178	5.0
119.08612	4.9
121.10218	2.6
123.11746	2.0
133.10178	6.4
135.11752	1.5
147.11723	6.0
157.16573	1.2
161.09706	2.0
161.13347	1.6
162.16595	1.3
177.16432	2.2
178.06335	6.9
178.07762	2.5
179.08649	8.3
187.25250	1.2
188.46701	1.4
191.07132	1.9
191.08635	4.6
192.09454	7.4
193.10165	9.9
203.18045	2.9
205.10324	1.5
206.10907	51.0
221.09830	6.3
221.11745	11.3
221.13393	100.0
221.19089	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	221.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98960	0.3
55.05513	0.4
63.01806	0.3
65.12383	0.3
68.51170	0.3
80.98661	0.3
129.06976	1.4
165.06958	0.5
178.07707	1.5
179.08521	5.3
180.09341	1.7
191.08528	5.1
192.09305	5.7
193.10132	7.6
205.10112	2.2
206.10886	63.5
215.56366	0.4
221.13220	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
54.66745	2.3
55.05509	6.1
56.54573	2.7
64.76817	2.9
67.05525	2.5
67.99606	2.5
69.03436	5.8
69.07066	4.8
74.04941	2.5
81.07050	19.7
83.04993	25.5
91.05476	6.0
93.07014	15.6
95.08593	16.8
103.45507	2.5
105.07001	25.3
107.08599	23.4
109.06506	15.8
109.10157	12.0
114.78285	2.7
119.08566	55.2
121.10139	23.9
129.06990	3.4
133.10121	83.2
135.08070	4.5
135.11661	13.1
137.09586	22.5
143.08578	4.3
145.10126	3.8
147.08015	22.4
147.11667	10.9
149.09564	3.7
151.11182	55.9
157.10071	3.4
161.09595	21.4
161.13232	54.0
163.11169	3.8
165.09090	81.5
168.57590	3.1
170.10881	3.2
173.13196	12.0
175.11159	11.6
175.14784	18.5
185.13306	6.9
190.13481	5.8
191.08545	4.9
191.14268	21.3
193.10080	5.5
199.08281	2.8
203.14308	14.6
206.10898	28.5
221.09761	6.2
221.13213	64.2
221.15359	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03951	1.3
55.05516	10.3
57.07083	2.0
67.05499	6.6
68.68720	1.4
69.03447	11.9
69.07077	13.0
71.05002	1.5
72.51858	1.3
73.06919	1.3
79.05486	9.1
81.07059	16.2
83.04984	22.8
83.08604	2.0
85.06493	2.3
87.44442	1.5
91.05459	9.9
93.07050	12.4
95.04964	3.3
95.08603	20.5
97.06525	1.7
105.07037	26.5
107.08594	26.5
109.06525	10.2
109.10155	16.9
111.08120	5.6
119.08577	61.0
121.06506	2.9
121.10139	20.4
123.08049	9.3
123.11691	6.5
125.09593	2.0
131.08501	5.5
133.06482	2.4
133.10126	67.9
135.11713	13.5
137.09607	15.5
143.08565	2.7
145.10109	6.2
147.08073	17.4
147.11720	14.9
149.09641	5.5
151.11166	45.5
151.12294	2.4
157.10130	2.6
159.11670	3.6
161.09587	13.0
161.13252	51.9
163.11205	3.6
163.14836	6.8
165.09102	67.3
165.12799	2.2
170.10870	5.9
173.13217	2.5
175.11218	9.7
175.14827	21.5
177.12772	2.4
178.07738	2.7
179.08575	1.6
185.13251	7.0
188.12006	2.2
190.13522	10.6
191.08617	2.4
191.14293	16.6
192.09329	2.1
193.10152	8.4
193.15930	1.8
203.14436	13.8
203.17926	17.1
206.10870	20.0
221.09904	12.2
221.13229	51.8
221.15373	100.0
221.18651	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.68264	1.4
55.01883	2.1
55.05506	7.9
56.81159	1.6
57.07087	1.9
67.05497	8.4
69.07063	12.2
74.73663	1.8
74.74048	1.6
79.05498	12.1
81.07051	15.9
83.04971	3.0
83.08648	1.9
89.52036	1.5
91.05471	25.7
93.07056	19.0
95.04974	3.4
95.08595	16.0
97.06506	3.1
105.07035	50.3
106.86841	1.7
107.08583	14.7
109.06506	7.2
109.10142	2.7
117.06969	2.6
119.04901	2.1
119.08585	53.7
121.06508	3.3
121.10162	5.8
123.04412	2.5
123.08035	9.5
129.07042	3.8
131.08542	2.5
133.06453	3.2
133.10152	27.7
135.08066	2.5
143.08549	7.5
147.08011	12.1
147.11673	3.9
149.13097	1.8
151.07559	7.8
154.18935	1.7
157.10091	3.1
159.11703	15.9
161.09607	11.0
161.13248	100.0
165.09102	12.6
175.14799	21.8
179.08488	3.2
179.10667	3.9
185.13231	15.0
186.56949	1.7
191.08568	3.7
192.09267	2.4
193.10124	3.4
193.15891	22.4
203.14294	27.0
206.10890	18.0
211.27943	1.9
221.09702	3.5
221.13239	50.4
221.15384	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05495	7.7
57.03437	2.3
57.07063	3.3
65.78683	1.6
67.05480	4.4
69.03395	10.6
69.07034	10.5
72.70147	2.0
81.07032	12.4
83.04980	17.5
83.08615	2.1
91.05460	3.2
93.07000	8.5
95.04933	4.8
95.08572	9.3
105.07053	16.4
107.08555	11.7
109.06488	11.8
109.10106	9.4
111.08002	2.5
119.07766	2.5
119.08573	51.3
119.23403	1.8
119.64680	2.1
121.10134	21.2
123.08051	4.1
129.06987	2.2
131.08551	3.2
133.06493	3.0
133.09213	3.1
133.10121	63.3
135.07990	3.3
135.11671	3.7
137.09601	17.8
145.10106	3.6
147.08022	18.3
147.11705	3.0
149.09596	2.5
151.11168	40.8
157.10107	3.8
159.11655	3.9
161.09576	15.5
161.13225	42.2
163.11107	4.5
165.09099	54.9
170.10954	4.6
173.13182	3.8
175.11128	8.6
175.14772	14.5
177.09024	14.6
185.13170	7.9
187.06618	1.9
188.11995	2.9
190.13481	3.9
191.14349	16.4
203.14287	10.5
206.10817	12.5
221.13170	20.6
221.15292	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.52815	1.9
54.08377	1.9
55.05513	4.9
57.07055	2.1
62.44913	1.9
64.35661	2.0
67.05508	3.5
69.03420	13.5
69.07053	5.4
72.82346	2.1
79.05475	5.1
81.07077	16.9
83.04983	17.1
85.02884	2.4
85.06535	3.8
89.13177	2.3
91.05492	5.4
92.17879	4.7
93.07024	14.5
95.04966	4.0
95.08594	12.6
97.02888	2.5
105.07034	31.6
107.08617	17.1
109.06509	9.8
109.10161	13.7
111.08080	4.5
117.07003	2.3
119.07783	2.5
119.08582	54.3
121.06477	3.7
121.10155	24.3
123.08076	4.2
131.08597	2.5
133.06450	3.1
133.10120	58.0
135.08034	3.5
135.11685	9.3
137.05959	3.0
137.09621	15.2
143.08585	4.6
147.08064	15.1
147.11690	13.1
151.03931	5.3
151.07492	5.6
151.11151	33.4
153.05438	9.7
159.11693	4.5
161.09604	16.6
161.13234	52.6
163.11150	5.3
165.09106	55.4
170.10921	3.8
175.11137	4.5
175.14818	15.4
177.09109	5.5
178.15735	2.4
179.07016	10.2
179.08562	3.1
179.74797	2.7
185.13245	9.5
190.13712	2.7
191.14284	14.2
203.14316	21.7
206.10826	21.9
221.09673	4.3
221.11397	3.4
221.13235	32.3
221.15369	100.0
221.17287	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.63842	1.3
52.57195	1.3
55.05491	8.1
57.07059	1.6
59.04991	1.9
61.10104	1.6
66.58030	1.5
67.05491	3.0
68.81329	1.5
69.03429	14.6
69.07040	7.6
79.05476	10.0
79.21478	1.8
81.03373	1.6
81.07060	17.6
83.04549	2.3
83.04973	22.4
83.08582	1.3
91.05464	12.5
93.06992	10.0
93.26464	1.5
95.04911	2.6
95.08583	7.2
95.43774	1.6
97.06488	1.8
105.07038	16.6
105.07605	2.2
107.04974	1.8
107.08585	15.2
109.06497	12.9
109.10156	11.6
111.08052	8.7
117.06944	3.0
119.07780	2.3
119.08572	53.8
121.06438	2.3
121.10133	19.0
123.08004	7.8
123.11720	2.8
131.08517	2.4
133.06448	2.4
133.10118	46.0
135.07991	3.6
135.11682	7.3
137.09579	21.1
143.08572	7.6
145.10129	6.8
147.08040	86.3
147.11661	8.3
149.09587	3.7
151.07481	3.5
151.11156	34.4
153.05473	5.4
157.10114	2.5
159.11642	3.1
161.09633	13.6
161.13234	43.0
163.11150	3.0
165.09105	35.5
170.10851	2.9
173.13216	3.9
175.07410	2.5
175.11157	9.3
175.14839	13.4
177.09093	81.6
177.12614	1.9
179.06931	7.5
185.13234	3.5
188.08170	2.3
190.13512	2.9
191.14320	19.4
203.10579	3.6
203.14334	15.2
206.10820	6.7
221.11526	3.3
221.13260	9.7
221.15326	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	221.19
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
52.89045	1.4
55.05501	7.7
56.96556	1.7
57.03446	1.7
57.07063	10.1
59.04987	1.6
59.81401	1.3
61.18393	1.3
62.92635	1.3
67.05508	15.7
69.03403	1.8
69.07069	22.4
71.04985	2.8
71.08593	1.8
79.05486	8.0
81.07059	59.5
83.04970	8.9
83.08624	13.4
85.06546	1.6
91.05476	19.1
93.07037	29.8
95.08601	81.2
97.06508	12.3
97.10145	10.3
105.07021	36.7
107.08592	48.2
109.06508	2.9
109.09447	2.5
109.10153	55.7
111.08072	6.2
111.11709	3.2
119.08573	43.4
121.10142	43.4
123.11703	24.9
125.09594	3.8
133.10136	39.9
135.11716	18.0
137.09653	3.1
137.13203	8.6
139.11188	2.8
144.76813	1.5
147.11684	74.6
149.13242	9.5
151.11169	6.1
161.09586	2.7
161.13228	29.7
163.14832	24.2
164.42986	1.6
165.12761	17.8
175.02785	1.7
175.14832	15.9
177.16400	22.8
179.08565	2.8
179.14291	3.1
180.35562	1.6
192.09377	1.9
193.10060	6.3
203.14297	2.4
203.17955	71.7
206.10916	17.0
221.04369	5.7
221.07777	1.9
221.09605	3.2
221.13391	41.0
221.15398	7.3
221.18980	100.0
233.76353	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.94551	2.9
54.05686	2.3
55.05512	12.1
57.07080	3.1
58.39206	2.5
61.36117	2.4
65.58529	3.1
67.05495	14.5
69.07084	26.2
69.97200	2.7
71.04982	5.7
81.07067	42.1
83.08598	13.4
86.59624	3.3
91.05472	12.6
92.18534	3.4
93.07046	26.1
95.08601	93.6
97.06533	6.9
97.10168	12.4
105.07043	32.7
107.08595	60.5
109.10146	57.4
111.08035	4.1
111.11726	3.4
119.08556	45.9
121.10139	42.1
123.11728	21.3
125.09616	11.0
133.10130	43.8
135.11621	20.2
137.13210	6.3
147.11685	85.4
149.13228	6.0
151.11143	6.7
161.13231	37.3
163.14798	24.5
165.12747	3.9
168.40134	3.3
175.14734	6.5
177.16319	21.3
184.39630	3.0
191.17836	3.3
193.10167	3.3
195.69298	3.5
203.17952	85.0
206.10851	19.9
221.09685	10.5
221.13280	41.9
221.19000	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	221.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94551	2.9
54.05686	2.3
55.05512	12.1
57.07080	3.1
58.39206	2.5
61.36117	2.4
65.58529	3.1
67.05495	14.5
69.07084	26.2
69.97200	2.7
71.04982	5.7
81.07067	42.1
83.08598	13.4
86.59624	3.3
91.05472	12.6
92.18534	3.4
93.07046	26.1
95.08601	93.6
97.06533	6.9
97.10168	12.4
105.07043	32.7
107.08595	60.5
109.10146	57.4
111.08035	4.1
111.11726	3.4
119.08556	45.9
121.10139	42.1
123.11728	21.3
125.09616	11.0
133.10130	43.8
135.11621	20.2
137.13210	6.3
147.11685	85.4
149.13228	6.0
151.11143	6.7
161.13231	37.3
163.14798	24.5
165.12747	3.9
168.40134	3.3
175.14734	6.5
177.16319	21.3
184.39630	3.0
191.17836	3.3
193.10167	3.3
195.69298	3.5
203.17952	85.0
206.10851	19.9
221.09685	10.5
221.13280	41.9
221.19000	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	221.19
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
51.34803	1.2
51.95740	1.2
55.05505	6.4
57.07051	2.1
59.05005	25.6
60.30389	1.2
62.50468	1.2
63.44407	1.2
67.05485	9.2
69.07062	17.9
71.04958	1.6
79.05478	2.9
81.07064	26.8
83.04987	1.4
83.08611	9.5
87.08103	15.6
91.05482	2.6
93.07043	13.6
95.08604	35.4
97.06524	1.7
97.10149	7.0
105.07027	16.7
107.08582	28.3
109.10160	26.8
111.07994	1.7
119.08573	17.6
121.10124	17.2
123.08029	2.2
123.11707	24.2
125.09626	24.0
133.10143	22.6
134.07106	1.3
135.11700	24.5
137.09641	5.8
137.13243	5.6
147.11697	33.7
147.43907	1.3
151.11145	11.6
151.19890	1.5
156.96944	3.3
161.13231	10.0
163.14812	25.6
165.12708	3.5
175.14818	5.6
177.16425	8.0
203.17929	29.9
206.10846	2.2
212.95146	1.5
221.13321	5.9
221.15454	3.0
221.18999	100.0
230.23039	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	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38998	0.9
98.97591	6.3
116.98625	1.1
119.01931	0.8
123.91255	0.8
138.96411	17.9
156.97470	100.0
157.97629	1.3
174.98520	39.8
179.98956	2.3
180.97466	3.9
180.99159	6.3
198.00098	1.0
198.98532	36.9
199.00323	3.1
216.99574	25.3
222.00139	1.1
243.00269	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	222.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07578	1.4
63.18644	1.5
74.68721	1.8
82.27451	1.5
86.09702	26.6
111.75338	1.7
112.00874	1.6
115.75492	1.6
162.94527	18.4
222.01958	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	222.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71511	0.6
54.49382	0.6
56.96556	3.1
59.57732	0.5
70.76839	0.6
74.35552	0.7
98.97585	100.0
110.35893	0.7
116.98617	43.7
134.99634	10.6
140.00185	9.5
158.01244	9.4
179.08533	4.7
192.09171	0.9
193.10081	3.3
194.10768	2.7
207.08051	7.5
207.11359	5.6
221.09595	3.8
222.07994	1.3
222.10387	37.4
222.13664	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	222.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.6
64.01826	0.5
78.85993	0.5
79.58338	0.5
98.97583	100.0
116.98616	39.0
134.99654	10.0
140.00166	10.2
158.01256	10.5
179.08521	4.1
186.36877	0.5
192.08817	0.6
193.09952	2.7
194.10614	1.0
207.08083	7.2
207.11263	5.9
211.59543	0.6
214.26556	0.5
221.09587	3.0
222.10382	36.6
222.13628	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	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.64604	0.3
60.04543	2.2
73.98150	0.3
74.50384	0.3
98.97582	6.5
103.05458	10.3
116.98608	2.5
125.35498	0.3
131.04916	50.4
137.05971	5.1
145.06532	0.4
148.07501	0.7
161.08240	0.4
163.07524	32.0
176.07095	1.6
177.09077	1.3
178.09470	2.1
180.10176	2.8
185.09422	0.3
189.07802	3.2
190.08606	3.2
192.14420	0.3
204.10243	2.3
207.08942	6.5
220.54922	0.3
222.11234	100.0
222.18530	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	222.1127
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.49076	0.7
56.96558	1.6
60.04511	2.7
62.48520	0.6
70.06605	0.7
71.05007	0.7
98.97577	28.2
103.05467	12.2
116.98617	12.7
126.23514	0.7
131.04919	56.2
134.99641	3.6
137.06004	5.5
138.09105	0.9
140.00165	2.8
148.07561	1.1
152.05704	1.7
158.01216	2.8
159.06331	1.6
163.07535	32.6
176.07071	2.8
176.08998	3.4
176.10580	1.2
177.09151	0.7
180.10153	3.4
189.07832	3.5
190.08583	2.9
194.04404	1.7
195.02458	0.7
198.96860	0.8
204.10185	3.1
207.08852	9.5
222.04019	1.6
222.07626	2.5
222.11240	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	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
50.49370	0.5
60.04512	0.8
85.79034	0.5
87.03731	0.5
98.97582	12.0
103.05457	9.2
116.98653	4.1
130.26169	0.5
131.04918	48.1
137.05959	4.5
140.00160	0.7
141.78355	0.5
148.07578	0.6
161.08382	0.6
163.07536	30.3
176.07043	1.0
177.09116	0.7
180.10168	2.7
189.07861	2.4
190.08627	2.8
198.24640	0.5
204.10207	1.1
207.08963	5.4
222.11246	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	222.1126
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.81238	0.5
60.04515	2.1
60.53147	0.6
73.43697	0.6
74.33819	0.5
77.10185	0.6
98.97561	3.6
101.56264	0.6
103.05470	12.2
109.02834	0.6
109.30400	0.5
116.98600	2.3
131.04922	60.2
137.05963	6.2
142.08778	0.6
145.06401	0.5
148.07526	0.9
159.83757	0.6
161.08289	0.7
163.06146	1.3
163.07526	39.0
172.07690	0.6
175.07524	0.7
176.07048	2.3
177.08987	0.8
180.10172	5.4
189.07813	2.3
190.08630	2.9
201.09271	0.5
204.10210	3.4
207.08884	6.7
222.11237	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	222.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66264	0.2
56.96576	0.4
58.96959	0.3
59.26551	0.3
61.30058	0.3
62.33452	0.2
62.89872	0.3
68.22956	0.3
81.17020	0.3
95.12229	0.3
98.97581	17.0
116.98604	6.2
119.08550	3.0
119.09966	0.3
131.04869	0.4
134.99683	0.6
135.08069	1.6
137.09598	4.4
139.99142	0.3
140.00221	1.9
140.39481	0.3
147.09187	0.5
149.09644	0.3
149.13235	1.9
158.01207	1.0
161.09515	0.6
177.12733	100.0
222.11087	0.6
222.13794	0.6
222.18492	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83663	0.4
58.25158	0.4
60.19453	0.4
73.31612	0.4
86.05933	0.4
91.05506	0.7
98.96925	0.7
98.97585	20.1
116.98611	7.2
119.08572	2.9
131.04900	0.7
133.10075	0.7
134.99684	1.8
135.08049	2.3
136.92018	0.4
137.09599	4.2
138.13036	0.4
140.00206	2.0
148.65221	0.5
149.09630	0.6
149.13243	2.5
154.10304	0.4
158.01236	2.1
161.09595	1.8
177.12741	100.0
205.29245	0.4
222.11189	0.7
222.13712	0.5
222.18530	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49494	0.3
56.68083	0.3
56.96582	1.4
62.52197	0.2
64.29096	0.3
67.09467	0.3
89.26808	0.3
91.05444	0.5
98.97583	46.8
116.98618	26.9
119.08582	2.6
133.10164	0.5
134.99661	9.7
135.08086	1.9
137.09637	3.7
140.00186	4.2
142.10425	0.3
147.45624	0.3
148.82584	0.3
149.09673	0.5
149.13249	2.4
153.00693	0.6
158.01253	6.7
161.09645	1.6
163.07581	0.4
177.12737	100.0
181.05057	0.4
207.08089	1.0
207.11548	0.5
217.54741	0.3
222.10532	1.7
222.13660	0.6
222.18506	19.5
222.21857	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	223.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	6.1
64.18913	0.2
65.03942	0.3
67.05501	0.2
72.48211	0.2
78.54085	0.2
79.05530	0.2
81.07060	0.5
83.04967	0.3
91.05457	0.2
93.03310	0.2
93.07014	0.3
98.97584	3.5
99.97884	1.0
105.07063	0.3
116.98620	1.4
117.07014	0.3
117.98895	0.2
121.02860	1.9
121.03647	0.2
121.03928	0.2
129.06985	0.3
131.08583	1.2
134.99657	0.5
136.00032	0.2
141.00555	0.2
149.02333	100.0
155.08525	0.9
158.01257	0.3
165.06963	1.2
166.07735	0.5
167.03407	1.1
167.08580	1.5
169.10098	0.5
179.08524	2.4
180.09276	1.5
181.10109	8.5
182.10942	0.4
183.11630	0.3
193.10133	5.9
194.10866	3.7
195.11676	4.8
208.08817	1.1
208.12451	10.1
223.11443	5.9
223.14810	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	2,4,5-Trimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
52.20798	0.5
61.90035	0.5
67.05509	0.7
67.84386	0.7
69.03398	0.7
77.38044	0.7
79.05460	2.7
91.05448	1.5
93.07009	3.3
95.04935	1.1
95.08614	0.8
95.71178	0.7
98.97597	5.0
103.05422	1.2
105.07037	7.7
107.04900	0.9
107.08568	2.6
109.06480	2.7
110.64986	0.7
111.08056	1.5
112.05488	0.8
116.98565	3.4
117.06948	1.2
117.98844	0.7
119.08568	1.2
121.06487	7.0
121.10087	1.3
122.07279	0.8
123.08031	1.0
131.08577	1.3
133.06473	1.7
133.10103	1.5
134.07259	1.0
135.08058	10.5
137.05966	1.6
137.09607	1.7
137.33481	0.8
143.08507	1.0
145.10083	0.9
149.05971	6.7
149.09590	1.2
150.06754	4.9
153.10634	0.7
159.11639	0.9
161.05901	0.9
161.09581	1.3
163.07533	14.4
163.08727	1.2
163.11055	1.1
164.08220	0.9
165.05434	2.5
165.06912	0.8
165.09106	2.8
167.06953	1.6
167.08394	1.1
178.06221	1.1
179.10655	6.0
181.10080	1.6
187.07796	0.7
191.06978	0.7
192.07805	24.1
193.08589	37.0
194.10867	1.0
195.11589	2.8
196.07281	1.3
205.08464	4.6
205.12135	1.6
208.08607	1.6
208.12390	1.6
223.09581	100.0
223.13179	8.2
223.14767	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	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
55.05514	1.4
56.96559	0.5
64.19217	0.3
67.05486	2.5
69.03416	0.3
69.07048	1.7
76.50726	0.3
79.05482	1.9
81.03426	4.8
81.07042	2.3
81.74342	0.3
83.04975	0.4
83.08607	2.0
91.05460	0.9
92.18542	0.4
93.07018	1.9
94.04163	0.6
95.04967	7.6
95.08575	1.6
96.15004	0.4
98.97584	11.8
99.97918	3.9
105.07023	0.5
107.04953	3.4
107.08582	1.6
109.06493	0.8
109.10097	0.4
111.08075	0.6
116.98612	7.9
117.07077	0.5
117.98911	1.8
119.36143	0.3
121.10118	0.6
123.08099	0.7
131.08527	0.7
134.99626	2.4
135.11662	0.4
140.00188	0.9
141.00507	0.4
145.10110	0.5
158.01242	1.6
159.01611	0.6
163.11157	0.5
167.08517	0.4
180.09280	0.5
187.11160	0.6
195.11653	0.6
205.12212	1.7
223.11386	4.7
223.13260	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	223.133
Annotation	Annuionone B
Peak:m/z	Relative Intensity
55.05483	3.1
59.23783	1.4
60.07273	1.2
67.05482	2.8
67.33148	1.3
69.03392	1.5
71.68349	1.4
77.72861	1.4
81.07033	2.0
83.04986	55.3
91.05426	2.0
93.07049	25.8
95.08601	24.2
97.06515	1.7
98.97561	11.0
99.97874	1.9
105.06990	2.0
107.08572	2.8
109.10142	2.5
111.08080	54.7
116.98567	8.4
117.98985	1.9
119.08544	9.9
121.05740	2.0
121.06497	31.1
121.10103	3.0
123.08028	6.5
131.08502	2.3
134.99580	1.9
135.08055	7.2
135.11674	11.8
137.09621	10.1
139.07544	22.4
140.00098	1.4
145.10110	3.3
147.08000	8.6
149.05946	2.0
153.09015	2.1
159.11693	21.6
161.13170	2.2
163.07423	2.4
163.11171	14.1
165.09113	26.2
167.06944	2.5
168.98058	1.9
177.09155	2.0
177.12793	12.2
180.09244	1.9
181.10115	2.6
181.12163	21.3
187.11192	21.3
193.10056	2.1
195.11671	6.7
195.13721	9.8
205.12207	34.3
208.08818	1.7
208.12357	2.8
223.09460	2.9
223.11267	9.6
223.13203	100.0
223.14818	5.2
223.16866	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	223.148
Annotation	Unknow
Peak:m/z	Relative Intensity
74.52904	0.5
98.97565	1.1
105.07001	0.9
117.07006	2.4
129.06975	0.6
131.08585	4.6
143.08617	0.6
155.08568	0.7
165.06966	3.0
166.07770	2.9
167.08553	7.5
168.09297	0.9
169.10068	2.4
178.07906	0.7
179.08560	6.9
180.09322	4.4
181.10117	28.7
182.10861	1.4
193.10127	20.6
194.10890	9.0
195.11673	14.8
195.13298	1.0
207.11575	0.8
208.08926	0.9
208.12453	30.9
210.23862	0.6
223.11165	7.0
223.14799	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	223.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09429	0.4
51.86856	0.4
57.07071	3.3
60.75359	0.5
80.55801	0.5
81.07055	0.8
91.05477	0.8
98.97588	8.1
99.97910	1.2
105.06985	0.7
116.98611	4.2
117.07033	1.2
117.99001	0.7
121.02804	0.6
131.08530	4.5
131.64691	0.6
134.99675	0.7
140.00157	0.6
148.53700	0.5
149.02342	59.7
153.07031	1.1
155.08549	2.0
160.54308	0.5
165.07004	3.5
166.07777	3.0
167.03325	0.7
167.08557	6.5
169.10095	3.0
178.07758	2.0
179.08545	7.9
180.09314	6.3
181.10124	26.6
182.10898	0.9
193.10139	21.2
194.10921	9.5
195.11693	16.6
207.11639	0.6
208.08844	2.7
208.12468	34.7
223.11505	14.0
223.14810	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	223.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.6
67.05482	0.7
71.77969	0.4
81.07063	0.7
93.07033	1.5
95.53924	0.4
98.97594	5.5
99.97962	1.5
105.07017	0.8
107.08586	0.8
111.08046	0.5
116.98603	2.4
117.06996	0.9
126.89247	0.3
129.07016	1.4
131.08582	4.7
134.99643	0.7
136.41370	0.4
138.13182	0.3
140.00226	0.5
141.06923	0.5
143.08546	2.1
149.02354	3.3
153.06966	0.9
155.08511	2.2
158.01218	0.4
165.06989	2.4
166.07758	2.5
167.08574	5.9
168.09375	0.6
169.10130	2.0
178.07784	0.9
179.08559	8.0
180.09277	3.5
181.10114	26.8
182.10857	1.6
193.10115	21.5
194.10912	10.4
195.11699	12.1
206.10765	0.7
207.11646	0.7
208.12454	33.4
221.13026	0.4
223.14809	100.0
236.09338	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	223.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99158	0.5
61.99568	0.6
81.07049	1.5
91.05424	1.0
93.07043	0.8
98.97566	4.3
99.97901	0.9
101.84110	0.7
105.07024	0.9
114.42575	0.7
116.98602	1.2
117.07012	0.9
129.07047	1.0
131.08568	4.0
134.99701	0.8
143.08594	2.5
153.06990	0.9
155.08568	2.6
159.48178	0.6
162.03711	0.6
165.06996	3.4
166.07796	3.9
167.08548	5.7
174.64798	0.7
178.07755	1.3
179.08539	9.8
180.09297	3.3
181.10106	30.4
182.10928	0.7
183.19846	0.6
193.10152	20.4
194.10918	12.1
195.11685	16.5
204.78064	0.7
208.09152	0.9
208.12463	45.5
223.11162	10.8
223.14809	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	223.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62124	0.9
53.06387	0.8
68.64687	0.8
79.05495	1.7
81.07049	4.2
83.71826	0.9
91.05466	4.0
93.07028	17.5
95.04973	1.7
98.97569	11.1
99.97925	3.3
105.07012	4.4
108.62290	0.9
108.95120	1.1
111.08096	0.9
111.67392	0.9
116.98616	4.1
117.06985	1.3
117.29477	0.9
128.06187	2.0
129.06993	5.7
131.08527	9.0
134.38960	0.8
141.06993	1.3
143.08548	22.8
145.10100	7.7
153.07002	1.5
155.08510	2.1
157.10135	1.1
164.78484	0.9
165.07007	5.3
166.07794	5.5
167.08562	9.0
169.10127	2.0
179.08542	12.4
180.09271	7.6
181.10115	40.2
182.10966	1.8
193.10135	16.7
194.10912	15.2
195.11676	18.3
208.12469	22.2
208.31065	1.0
221.13200	1.0
223.11191	6.7
223.14818	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	223.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43015	0.9
54.82221	1.0
56.93381	1.1
59.73302	1.0
62.86151	1.1
72.37699	1.1
76.65150	1.0
79.05463	1.3
81.07070	1.2
85.30332	1.1
93.07024	2.3
95.08631	1.4
98.97602	10.8
99.97913	2.9
116.98589	6.2
118.00715	1.2
129.06999	1.7
131.08548	5.1
143.08559	5.9
143.53239	1.1
143.76453	1.4
153.06982	4.6
155.08517	2.0
165.07028	11.4
166.07745	6.0
167.08514	10.5
169.10092	1.8
179.08574	11.4
180.09282	8.9
181.10106	38.2
182.10904	1.5
193.10118	15.3
194.10899	13.1
195.11690	28.6
208.08829	7.2
208.12466	22.0
223.11345	26.8
223.14787	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	223.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17972	0.3
57.07073	0.4
58.91354	0.3
67.98124	0.3
68.90399	0.4
74.01838	0.3
75.42051	0.3
75.52562	0.4
79.05486	0.4
81.07027	1.6
82.30284	0.4
88.85542	0.4
91.05430	0.5
91.80348	0.3
93.07038	0.6
93.11069	0.4
95.08594	0.5
98.11487	0.3
98.97572	7.5
99.97911	2.3
105.06989	0.7
106.99815	0.4
116.98628	3.2
117.06987	1.8
117.98922	1.5
129.06975	0.5
131.08565	3.0
134.99631	1.4
135.55861	0.4
143.08521	1.5
145.10135	0.4
153.06999	0.7
155.08557	1.7
159.01604	0.4
165.06990	1.6
166.07779	2.8
167.08545	5.3
169.10094	2.2
178.07690	0.6
179.08540	7.1
180.09344	2.9
181.10106	28.7
182.10886	1.9
192.09337	0.4
193.10103	19.9
194.10902	9.7
195.10060	0.4
195.11667	12.2
207.11540	1.4
208.12456	31.7
221.13168	0.6
223.14806	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	223.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80806	0.5
54.35939	0.5
57.35585	0.5
91.05477	1.0
92.58649	0.6
93.07035	0.8
98.97584	1.1
105.07016	0.8
111.52330	0.5
115.52863	0.6
116.98542	0.6
117.07049	0.8
124.72569	0.5
129.07021	0.9
131.08556	5.7
153.07126	0.8
155.08524	0.8
165.06926	2.2
166.07770	3.1
167.08563	6.7
169.10109	2.3
178.07779	0.8
179.08574	7.2
180.09338	2.6
180.16530	0.6
181.10104	24.5
182.10869	0.9
193.10118	21.8
194.10858	7.6
194.90407	0.7
195.11676	13.8
202.46217	0.6
207.11734	0.7
208.12454	33.9
221.13150	1.8
223.14806	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	223.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44230	0.9
59.62228	0.9
65.98943	1.0
67.05489	1.7
69.07057	1.5
69.14958	0.9
75.07980	1.1
75.71636	0.9
79.05489	1.2
81.07066	4.3
83.04979	1.7
85.98573	1.0
91.05471	4.6
93.07041	14.4
95.04961	1.7
95.08565	2.4
98.97587	45.7
99.97948	11.4
105.07030	4.5
107.08591	2.6
109.25557	1.0
111.08100	1.5
116.98615	24.7
117.98944	6.5
119.08593	1.1
128.06190	1.6
129.06985	2.5
131.08566	6.3
134.99663	8.4
136.00148	1.3
140.00203	4.4
141.00522	1.2
143.08563	20.0
145.10104	4.7
153.07054	1.4
154.30458	1.1
155.08560	6.9
157.10176	1.2
158.01270	5.2
159.01585	1.4
165.07014	7.1
166.07712	8.3
167.08577	14.2
168.09325	1.3
169.10083	1.9
179.08531	15.4
180.09294	8.8
181.10115	44.0
182.10861	4.3
193.10126	15.6
194.10945	15.5
195.11700	27.2
205.12364	1.3
208.08786	2.2
208.12462	19.1
223.11208	9.9
223.14832	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	223.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42449	0.6
79.05469	1.0
105.07043	0.9
117.07011	1.5
122.15897	0.9
129.06981	0.9
131.08563	4.1
152.69426	0.7
165.06981	1.1
166.07755	1.4
167.08534	5.0
169.10135	1.0
179.08583	7.2
180.09340	3.0
181.10109	23.3
182.10916	1.3
193.10129	22.8
194.10866	7.6
195.11681	14.1
207.11517	0.9
208.12474	34.3
221.13286	1.4
223.14812	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	223.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62832	1.0
79.05481	1.1
81.07044	1.2
91.05455	7.6
93.07035	1.9
98.97555	6.2
99.97902	1.5
103.21801	1.1
103.84525	1.1
105.07012	8.2
107.08612	1.8
115.05443	1.5
116.98595	1.9
117.06993	2.8
125.83644	1.0
129.06960	1.5
131.08498	7.0
137.91933	1.3
141.07059	1.4
143.08536	2.0
153.06940	5.5
155.08586	2.1
156.93738	1.2
165.06972	13.1
166.07741	7.4
167.08539	15.7
179.08507	10.0
180.09317	14.5
181.10098	37.1
193.10130	17.2
194.10887	11.9
195.11676	31.0
205.10107	5.6
208.08855	18.9
208.12445	18.4
212.54434	1.3
222.13620	1.4
223.11229	60.4
223.14775	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	223.1692
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
52.44314	2.0
54.47050	2.2
55.05506	14.6
57.07065	4.2
62.20023	2.1
67.05492	10.6
69.03430	6.1
69.07069	35.2
79.05494	11.6
81.03412	3.3
81.07059	28.2
83.04969	14.0
83.08617	13.2
85.06549	25.9
91.05481	3.8
93.07050	27.0
95.04984	5.3
95.08603	31.3
97.06515	3.6
98.97593	5.6
99.08144	2.6
105.07014	5.4
106.51916	2.5
107.08605	38.7
109.06503	29.9
109.10149	22.0
111.08112	18.9
113.09641	14.0
119.08567	10.5
119.45403	2.5
121.02842	2.7
121.06490	10.5
121.10140	89.8
123.08047	18.0
123.11711	19.5
125.09583	4.4
131.08521	3.2
133.10129	6.3
135.11650	19.0
137.09613	44.1
139.11201	3.8
145.10101	11.2
147.11682	11.8
149.09619	100.0
149.13246	4.1
151.11162	55.6
159.11774	4.0
161.13258	3.0
163.11131	12.2
163.14796	21.4
165.07047	4.1
165.12726	15.9
180.09328	14.0
181.10147	14.6
187.14801	4.6
193.10176	5.9
194.10852	2.8
195.11688	21.7
205.10309	3.4
205.15915	18.9
208.08855	11.3
208.12503	10.4
223.07651	3.1
223.11339	46.4
223.14781	33.4
223.16949	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.05508	10.7
57.03446	4.2
57.07074	5.6
67.05496	13.5
69.03415	13.4
69.07063	30.1
74.86280	2.7
79.05479	10.8
81.03416	4.2
81.07063	22.7
83.04978	11.2
83.08607	11.2
85.06541	24.4
91.05470	5.0
92.93899	2.8
93.07015	23.0
95.04948	4.4
95.08603	32.3
97.06535	4.1
97.10159	3.5
98.97594	5.6
105.07022	11.6
107.08599	49.3
109.06524	28.7
109.10144	27.8
111.08101	21.3
113.09666	9.2
116.98642	3.7
117.07008	2.4
119.08582	11.3
121.06496	14.3
121.10144	77.4
123.08041	13.3
123.11703	14.4
125.09627	4.6
133.10115	13.8
135.08041	11.7
135.11722	21.0
137.09625	49.5
139.11139	3.0
145.10153	19.4
147.08113	3.0
147.11664	15.3
149.09604	100.0
149.13281	3.2
151.11169	59.8
159.11635	3.6
163.11116	12.5
163.14824	27.6
165.06984	6.2
165.12698	6.5
167.08569	6.0
172.12488	3.2
179.08606	5.6
180.09373	6.8
181.10117	19.4
187.14851	3.1
193.10126	12.2
195.11740	22.8
205.15881	23.6
208.08806	6.2
208.12410	11.8
223.11320	33.5
223.14781	50.4
223.16936	74.6
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	(Z,Z)-farnesol
Peak:m/z	Relative Intensity
55.05511	5.1
58.14145	2.4
67.05511	6.0
69.07069	24.1
74.04619	2.5
81.07049	16.0
82.65289	2.7
83.04986	3.1
83.08610	11.8
88.04182	3.0
91.05425	3.0
93.07024	14.0
93.62234	2.7
95.08606	55.7
97.10162	12.1
98.97596	39.9
99.97905	13.4
107.08588	18.2
109.10156	53.5
111.11700	14.8
116.98598	25.5
117.98939	3.7
121.10134	14.2
123.11673	27.7
127.27724	2.7
129.26466	2.8
134.99673	5.7
135.11714	26.4
137.13249	3.5
140.00154	3.1
149.13263	31.4
158.01215	4.8
159.01608	3.0
167.08556	10.9
179.08533	12.9
179.17938	3.8
180.09169	4.6
181.10081	26.9
193.10136	18.4
194.10915	10.9
195.11703	17.9
205.12245	3.0
205.19484	37.2
208.12460	29.4
223.11369	27.5
223.14836	100.0
223.16913	7.8
223.20596	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
57.82547	0.6
60.04530	55.3
77.04110	0.5
91.05479	100.0
103.05460	2.3
104.75253	0.6
106.06542	5.1
118.06531	10.3
119.04935	24.4
133.41243	0.6
136.07574	27.8
140.72940	0.5
147.04407	5.2
148.07538	0.7
165.05482	2.5
174.33606	0.6
178.08502	8.9
182.08139	6.9
224.09355	2.6
228.90134	0.6
243.22653	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	224.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45782	0.4
65.03941	0.5
91.05482	100.0
94.30151	0.5
101.62234	0.5
119.04932	13.0
123.57825	0.5
132.83885	0.5
134.09654	12.3
144.46530	0.5
157.34695	0.5
158.04996	0.6
166.83362	0.4
186.84073	0.5
193.13924	0.5
224.12793	13.9
224.14833	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	224.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52656	0.4
65.03954	0.7
91.05480	100.0
93.37975	0.4
119.04933	12.9
130.34427	0.5
134.09656	14.5
206.69470	0.4
212.63353	0.5
224.12813	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
52.75782	0.4
52.80080	0.4
54.66631	0.4
55.38145	0.4
58.06598	2.2
67.06342	0.5
68.10419	0.5
80.80338	0.6
91.05478	8.4
103.05463	5.5
105.07031	12.0
107.04953	2.7
118.06488	5.4
119.04993	0.8
120.08098	17.4
120.76957	0.6
120.82405	0.5
128.06262	1.0
131.04930	3.7
131.08565	0.6
137.06015	0.5
143.08601	2.3
160.11203	100.0
178.12254	83.6
179.55779	0.6
182.99641	0.6
199.67516	0.5
206.08217	0.6
206.11797	8.4
207.18291	0.5
218.78554	0.5
224.09259	1.3
224.12820	31.7
224.16243	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	224.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25876	0.2
56.70103	0.3
60.04528	0.4
70.87952	0.3
73.09214	0.3
91.05479	100.0
104.31280	0.3
107.04949	0.3
111.92524	0.3
115.08436	0.3
119.04938	12.1
119.05749	0.6
119.08569	0.4
121.02865	0.4
133.85930	0.3
134.09659	12.5
151.07512	0.4
172.49106	0.3
183.10211	0.5
224.12791	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77122	0.1
51.50961	0.1
53.03762	0.1
67.04215	0.2
78.16844	0.2
82.99812	1.8
83.21570	0.2
98.04637	0.2
100.02485	0.2
101.00875	33.0
114.94480	0.2
119.01910	100.0
120.01915	0.2
121.02338	0.2
124.02438	13.0
133.03444	0.2
137.02951	17.3
142.03490	73.8
143.01906	3.0
143.03624	1.1
156.05054	0.2
160.04536	11.8
161.02940	49.1
161.04605	2.9
165.05054	1.7
174.07275	0.2
179.03995	33.1
183.06218	0.2
184.04530	6.3
184.06148	0.3
202.02655	0.3
202.05539	2.8
203.19753	0.2
225.07037	0.3
225.09012	0.3
225.13834	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	225.0756
Annotation	Spiromassaritone
Peak:m/z	Relative Intensity
50.48352	0.6
53.03951	0.9
54.30214	0.7
69.03419	0.7
79.05472	4.7
81.03430	1.3
81.07036	1.1
85.02905	35.6
91.05473	6.7
92.18538	1.5
93.07027	1.3
95.08589	1.4
99.04433	1.4
103.05426	1.8
104.12369	0.8
105.03377	11.3
105.07027	6.9
105.07608	0.9
107.08570	3.7
109.06479	1.8
109.10108	0.9
113.02357	8.1
113.06005	0.9
113.47163	0.8
115.05448	1.1
119.04931	3.3
120.05663	0.9
121.06503	1.8
121.10125	3.3
123.08023	3.0
123.11701	14.4
125.09622	1.9
131.04921	6.9
135.08047	5.1
137.02353	1.3
147.04402	12.8
148.05157	3.6
149.05968	3.2
149.09584	3.1
151.07530	9.4
155.08540	1.7
157.10118	4.3
163.07529	19.4
167.10654	1.5
175.03880	7.3
177.05411	5.3
179.07034	6.6
181.06581	0.8
181.10121	1.0
182.10788	1.0
183.11635	1.6
193.04994	1.2
196.08775	0.9
197.13268	1.4
203.60684	0.8
207.06525	31.2
207.11794	1.6
207.13739	16.3
210.10287	1.2
225.07555	100.0
225.12558	8.3
225.14722	3.5
225.16502	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	225.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.0
57.03428	1.0
59.04961	0.8
67.05510	4.4
69.03431	12.3
69.07067	3.8
71.04974	6.0
79.02110	1.0
79.05486	1.9
81.07043	7.2
83.04975	7.4
83.08611	1.5
85.02882	1.1
85.06549	1.6
87.04472	12.6
91.05481	5.3
92.05812	1.3
93.07010	7.2
95.04947	2.1
95.08589	10.4
97.06546	2.0
99.04449	18.1
105.07002	6.3
107.08589	12.9
109.06509	5.4
109.10151	6.5
119.04971	1.5
119.08573	9.2
121.10137	14.9
123.08050	10.0
123.11718	5.1
125.05978	2.3
125.09599	1.5
131.08546	1.4
133.06488	1.2
133.10037	1.1
135.08034	2.2
135.11674	4.8
137.09602	7.9
139.11188	30.8
143.08568	1.2
145.10107	1.4
147.07971	1.4
147.11658	10.8
149.09610	11.5
151.03851	0.9
151.07542	5.9
151.11145	4.1
155.08554	1.0
159.11623	1.6
161.09595	1.6
161.13242	6.6
163.11171	6.4
165.09076	3.9
165.12738	4.1
167.10657	5.1
169.10103	1.6
171.11649	1.6
177.12733	3.8
181.12112	5.8
183.11690	2.2
183.13782	4.9
189.12715	10.2
192.09384	1.0
195.11661	1.2
195.13873	0.9
197.13225	1.6
207.06526	1.5
207.13782	23.9
210.10442	1.3
225.10950	100.0
225.14738	11.6
225.16475	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	225.1274
Annotation	Navenone B
Peak:m/z	Relative Intensity
55.64402	0.6
56.29247	0.6
58.64800	0.6
69.03428	6.0
70.97377	0.7
79.05483	0.8
81.03409	8.2
81.07040	1.1
85.02911	0.7
91.05492	1.0
95.04951	0.9
95.08595	4.7
105.07011	1.3
107.08575	2.7
109.10098	0.8
119.08573	1.6
121.10184	1.4
123.08034	1.2
131.08496	0.8
133.06464	0.8
141.06967	4.3
142.07776	12.6
143.08449	0.9
147.11716	1.0
155.08549	10.0
156.09337	1.7
157.10118	100.0
165.06868	0.9
166.07672	1.1
167.08521	1.6
167.10706	0.9
168.09326	1.3
169.10147	5.7
181.10083	5.1
182.05028	1.0
182.10922	9.5
183.08014	1.2
183.11693	9.0
189.12720	1.1
192.09322	3.8
195.08076	4.7
195.11685	1.0
196.08765	1.5
197.05838	1.2
197.09647	1.5
197.13261	21.4
207.11752	8.2
210.10352	12.0
219.44063	0.7
225.05595	1.2
225.12738	50.2
225.16351	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	225.1273
Annotation	Navenone B
Peak:m/z	Relative Intensity
57.70640	0.6
61.42713	0.7
69.03413	3.9
69.03754	0.8
69.07059	0.7
81.03414	3.7
81.07035	0.9
83.04971	0.8
85.02879	0.8
92.17858	0.9
93.07027	3.3
95.04955	1.1
95.08598	1.2
96.08913	0.8
105.07024	3.5
109.06534	0.9
115.05480	0.9
119.08559	3.0
121.10098	0.9
123.11644	1.0
128.06120	0.9
133.10144	1.2
141.06949	3.8
142.07755	7.2
143.08540	3.0
153.06976	0.9
154.07809	1.6
155.08553	16.9
156.09355	3.3
157.10123	49.3
165.06987	2.6
166.07800	0.7
167.08548	4.6
168.09309	4.7
169.06444	1.0
169.10107	17.7
171.08034	3.6
171.11734	1.2
179.08559	3.6
180.09308	1.0
181.06436	3.8
181.10101	5.6
182.07248	0.7
182.10896	13.7
183.08084	6.4
183.11673	14.8
191.08598	0.9
192.09312	10.1
195.08044	10.5
195.11807	2.9
196.08813	9.0
197.09608	7.0
197.13249	32.1
207.08238	1.0
207.11716	18.3
210.10397	25.5
210.13972	1.2
225.09068	5.7
225.12737	100.0
225.16106	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	225.1273
Annotation	3,4-Diphenyltetrahydrofuran
Peak:m/z	Relative Intensity
51.60792	0.5
55.05510	0.8
63.18741	0.6
67.05502	0.7
69.03426	1.4
86.03778	0.6
101.61497	0.6
105.07020	3.3
113.52241	0.6
119.08628	0.7
129.07036	1.0
129.80469	0.6
133.06480	0.9
141.06932	2.7
142.07750	4.0
143.08525	2.7
145.06404	0.9
153.06917	1.3
154.07758	1.0
155.08557	14.7
156.09338	2.5
157.10115	16.5
165.06960	3.2
167.08572	4.6
168.09314	3.0
169.10106	11.4
171.08067	0.7
179.08514	3.1
180.09274	0.7
181.06438	3.0
181.10101	6.0
182.07236	0.9
182.10907	11.9
183.08032	7.2
183.11690	9.2
184.08838	1.2
192.09358	7.1
195.08031	6.9
195.11673	3.5
196.08826	9.6
196.12488	1.2
197.09599	8.3
197.13255	24.6
207.11694	15.9
207.13651	1.0
210.10382	21.1
225.09087	4.2
225.12723	100.0
225.16370	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.13612	1.2
54.19714	1.5
55.05493	2.3
67.05502	3.8
69.03445	4.3
69.07041	3.2
71.04983	6.8
73.00451	1.5
79.05495	6.8
81.07073	11.9
85.06529	6.7
87.54712	1.5
91.05476	7.6
93.07035	21.9
95.04951	1.7
95.08603	11.1
97.06519	7.4
99.04444	6.0
99.08087	1.8
105.07024	40.9
107.08594	75.1
109.06535	15.6
109.10158	12.8
119.04928	2.1
119.08580	35.1
121.06506	19.5
121.10132	32.6
123.08061	6.7
123.11681	1.7
125.09509	1.6
131.08563	10.6
133.10167	4.8
135.11612	1.7
137.09619	50.5
143.08554	9.6
145.10126	8.2
147.08064	13.0
147.11682	48.4
149.09612	54.3
149.13203	14.7
151.03862	2.3
156.09354	6.0
159.11687	19.5
161.09596	3.7
161.13248	42.0
163.11183	2.8
165.12727	7.8
167.10654	52.7
171.11676	17.3
177.12732	26.0
189.12738	30.7
207.13788	100.0
225.14668	2.9
225.16599	2.5
245.19148	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	225.1961
Annotation	Cuscohygrine
Peak:m/z	Relative Intensity
52.02005	0.7
52.92690	0.7
53.16032	0.6
55.05505	3.9
55.65556	0.8
57.70148	0.8
61.04056	8.5
69.07057	1.0
70.71119	0.8
81.01858	0.8
81.07013	1.0
81.17645	0.8
83.08623	11.2
91.05457	0.9
92.05795	1.1
95.08609	1.1
100.11252	55.8
101.95009	5.0
105.07064	1.2
123.11665	0.9
141.06842	1.2
143.11789	14.2
155.08559	7.3
157.10121	1.4
167.08543	1.6
169.10130	7.3
181.10098	1.4
182.10936	3.5
183.08051	1.1
183.11674	3.7
192.09363	3.2
195.08073	1.7
196.08824	2.0
197.09650	3.3
197.13261	10.0
207.11723	6.4
210.10362	7.7
225.09048	4.8
225.12675	37.6
225.14380	2.0
225.16481	7.0
225.19588	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	226.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25855	0.2
54.68507	0.2
55.69533	0.3
91.05476	4.0
91.75346	0.3
102.96883	2.9
104.04965	0.4
105.03345	0.3
120.97884	1.3
138.98982	0.4
148.02156	54.0
189.04872	0.4
226.06844	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	226.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
65.03944	0.5
79.05493	10.6
95.04951	1.8
102.96886	1.0
105.03352	0.8
105.04425	0.5
106.82217	0.4
107.04952	42.8
120.05584	56.5
125.05980	0.5
127.07971	0.5
152.46573	0.4
154.06508	0.5
155.07291	1.0
180.08078	0.9
181.08852	0.6
183.06805	7.6
184.46300	0.4
187.98906	0.5
197.08321	0.8
203.97060	0.4
226.09735	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	226.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96824	0.5
58.70270	0.4
58.72535	0.5
62.06097	80.0
71.13381	0.5
73.76671	0.5
78.25321	0.6
91.05481	100.0
103.05450	2.2
106.12310	0.6
107.04956	0.6
108.07493	0.6
114.09186	0.6
119.04944	14.4
122.22151	0.5
198.25908	0.5
226.10718	6.8
226.19130	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	226.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11886	0.3
56.96565	0.5
58.98474	0.3
63.78817	0.3
69.03405	0.3
73.50351	0.3
85.02910	0.8
88.07627	6.9
91.05517	0.7
97.02874	1.6
98.97578	0.5
105.03372	0.5
107.04946	0.8
110.03543	0.5
119.04925	0.4
122.03644	0.7
128.04533	0.8
128.98654	0.4
135.04477	0.4
137.05972	100.0
151.03905	7.1
151.05040	0.5
151.07524	0.5
151.11226	0.3
152.07094	0.5
163.07587	0.8
170.99738	0.4
180.06509	0.5
181.08540	0.5
191.07481	0.4
194.03349	1.8
194.08345	0.4
196.56157	0.3
203.03868	1.7
209.12839	0.3
219.01875	1.1
219.06503	0.3
226.10950	0.6
226.14372	21.1
227.99469	1.3
243.01794	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	226.1802
Annotation	Adalinine
Peak:m/z	Relative Intensity
55.01878	2.2
55.05521	16.1
55.68288	1.0
57.06860	0.8
57.07080	12.5
58.06592	1.7
58.21555	1.0
58.84197	0.9
59.44181	1.1
67.05501	13.1
69.07065	21.7
70.06580	1.6
71.04974	2.1
71.08607	7.7
72.08140	6.2
78.10786	1.2
79.05485	9.9
81.07056	40.1
82.06583	2.1
83.04975	1.3
83.08619	44.4
84.08126	3.0
85.06556	2.3
85.10164	2.1
86.06046	5.4
86.09711	1.3
93.07045	17.6
95.08607	32.6
96.08092	5.0
97.06488	10.2
97.10165	27.6
98.09700	1.3
99.08095	1.8
100.07599	8.0
102.96869	2.0
103.68424	1.1
107.08596	24.8
109.10149	6.0
110.09657	6.9
111.08080	8.5
111.11694	1.2
113.73141	1.1
114.09156	6.0
121.10120	25.4
123.11674	2.3
124.11213	13.1
125.09615	5.7
128.10704	1.9
131.08585	5.2
135.11688	5.4
137.13126	1.4
138.12794	9.0
139.11159	1.3
142.12238	2.7
142.28960	1.1
145.10124	1.9
149.13173	1.4
156.17509	1.6
163.14790	38.4
173.13219	8.3
180.17470	70.0
181.15869	9.5
182.61612	1.2
190.15871	4.9
191.14175	1.9
198.18451	10.7
208.16933	7.0
209.15288	1.5
226.18015	100.0
227.16495	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	226.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.7
65.97958	0.9
69.64458	1.0
70.06577	6.2
72.08154	94.2
78.39524	1.0
79.88055	1.0
82.06556	1.3
84.08183	1.4
100.07619	5.5
108.49390	1.0
110.06052	13.5
110.09675	48.6
112.07584	4.3
114.06778	1.1
122.06037	1.8
123.04408	1.4
127.12316	20.4
138.09137	100.0
140.10707	46.0
155.11778	12.3
157.13370	15.5
161.19133	0.9
180.10208	8.1
185.04344	1.5
209.16446	23.0
226.07254	2.1
226.10602	4.0
226.19125	56.3
237.07140	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	227.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88425	1.9
62.98269	4.0
65.17416	2.4
65.65676	2.3
77.13306	2.5
83.98132	2.5
98.97655	2.8
121.01699	3.0
124.01598	4.8
168.00583	58.1
227.05304	5.6
227.07918	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	227.0913
Annotation	Inflatin C
Peak:m/z	Relative Intensity
55.01877	0.6
55.05528	0.4
57.03447	0.3
58.76165	0.3
67.01865	4.9
67.05512	0.7
68.79150	0.3
69.03407	0.6
69.07083	0.5
71.04986	0.7
73.21105	0.3
75.17935	0.3
77.92268	0.3
79.05485	0.6
81.03395	0.5
81.07059	0.6
83.04974	0.6
84.08143	0.4
85.02899	5.1
86.09699	1.4
91.05492	0.6
93.07039	0.6
95.04955	0.8
96.08121	2.8
97.02898	0.7
97.06561	0.4
99.04443	5.9
101.02382	2.1
105.07027	0.7
107.04975	0.5
107.08589	0.7
109.02882	0.7
109.06525	1.3
109.10178	0.7
114.09145	1.4
117.07007	0.4
121.06491	0.6
121.10062	0.5
123.04457	0.6
124.05202	1.7
125.02347	3.8
125.09599	0.5
127.03925	1.3
135.08075	0.3
137.05972	18.8
145.10092	0.5
149.09612	0.4
157.10095	0.4
163.07494	0.7
165.05450	1.9
167.07048	1.3
171.11775	0.4
173.13235	0.4
181.08588	2.0
183.06516	100.0
184.09993	3.7
191.14449	0.4
209.08035	3.6
209.16588	0.4
209.39104	0.4
227.09116	43.1
227.17560	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	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
51.48225	0.6
54.93980	0.7
55.05499	0.7
61.75106	0.7
69.03413	3.5
69.07064	1.3
86.93516	0.8
95.08596	1.7
107.08566	1.0
109.10156	4.1
112.17936	0.9
128.06210	1.3
129.07004	4.0
141.06955	1.1
142.07835	1.0
143.08562	23.3
149.13242	1.2
153.06995	1.7
156.09331	1.8
157.10081	3.8
158.07251	1.3
165.06982	5.0
166.07814	13.1
167.08435	1.5
171.08034	20.0
171.11693	9.2
181.10106	31.9
183.08017	1.5
184.08488	9.1
184.10228	9.9
185.09592	7.1
191.08507	3.6
194.07298	7.8
197.05952	1.5
198.10405	7.2
199.11171	100.0
209.09592	20.7
212.08298	14.3
227.10657	92.5
227.14177	2.9
227.17932	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	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
53.53197	0.9
69.03417	5.1
75.39237	1.1
92.81223	1.2
96.92018	0.9
125.45203	1.2
128.06224	1.4
129.07005	4.5
133.10193	1.4
141.06966	1.6
142.07784	1.7
143.08572	27.1
153.06989	4.4
156.09279	4.0
157.06487	1.1
157.10126	5.8
158.07281	4.4
159.08115	1.2
165.07047	4.8
166.07765	12.8
167.08588	1.7
169.06458	1.7
169.10173	1.6
171.08061	21.1
171.11685	14.6
181.10107	32.5
183.08041	2.3
184.07407	1.4
184.08731	9.5
185.09583	9.3
191.08540	1.9
194.07281	6.1
197.06038	1.6
197.09668	2.1
198.10374	5.7
199.11179	100.0
209.09584	24.1
209.13165	1.3
212.08290	15.3
227.10674	99.7
227.14166	14.8
227.17920	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	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
51.89773	1.0
69.03423	3.2
80.86317	1.3
129.06985	3.0
141.07002	1.5
143.08560	20.1
153.06969	1.3
157.10088	1.6
158.07304	1.9
162.75064	1.5
165.06999	2.6
166.07732	9.7
169.06558	2.1
171.08047	18.9
171.11671	7.7
181.10135	29.0
184.08832	12.7
185.09627	6.7
191.08551	1.6
194.07249	8.5
197.06001	1.4
198.10385	5.4
199.11165	100.0
209.09612	19.6
212.08276	13.0
227.10645	86.6
242.87801	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	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
52.75928	0.6
55.01863	1.0
55.05501	0.9
69.03409	2.9
69.07065	1.3
79.05466	1.0
80.60574	0.7
81.07048	3.0
83.04984	1.0
86.09640	0.7
91.05493	0.9
93.07030	3.7
95.04976	1.3
98.97543	0.7
105.07016	3.3
107.08608	1.4
109.89757	0.6
112.69088	0.7
117.06990	1.5
119.08568	3.7
121.06450	1.1
128.06219	1.7
129.06995	4.6
130.07719	0.7
131.08536	3.8
133.06505	0.9
133.10112	2.9
135.08110	0.8
141.06975	3.3
142.07770	3.7
143.07497	1.1
143.08537	13.8
145.10100	1.3
147.08022	0.7
149.09605	0.7
153.06982	2.6
155.08540	5.3
156.09331	19.5
157.06442	1.2
157.10115	14.2
158.07361	1.0
159.07996	1.6
165.07028	4.4
166.07765	3.7
167.08536	6.4
168.09286	1.3
169.06465	1.4
169.10106	3.8
170.10901	1.5
171.08012	9.9
171.11655	24.1
172.08794	0.9
172.72188	0.7
179.08536	10.5
180.09351	2.6
181.10098	14.1
183.08034	3.0
183.11687	3.1
184.08749	12.7
184.12453	1.5
185.09622	14.7
185.13254	3.7
194.07231	1.2
194.10867	9.4
197.05957	1.0
197.09630	3.1
198.10374	7.6
199.11154	43.1
199.14839	7.2
209.09642	9.4
209.13210	16.2
211.11276	0.7
212.08284	23.2
212.11757	6.9
222.01944	0.7
227.10667	100.0
227.14226	82.0
227.17545	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	227.1068
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.29294	1.7
69.03418	4.5
72.89318	2.3
75.91718	2.5
76.53594	2.3
88.55235	2.2
93.07099	2.7
95.08581	2.7
97.10128	3.1
97.62161	2.2
126.05628	2.2
129.06998	4.8
138.39699	2.7
143.08549	29.1
145.10117	5.7
146.12201	2.3
153.06900	2.2
157.10132	10.8
165.07004	2.8
166.07771	14.9
171.08038	19.7
171.11749	23.7
181.10095	33.8
184.08601	5.0
184.10106	25.7
185.09535	4.2
185.13248	10.8
186.07788	3.0
191.08563	3.0
194.07262	9.5
197.05882	2.7
198.10434	10.6
199.11177	100.0
209.09628	22.5
212.08263	13.9
227.10649	94.9
227.14186	5.1
227.17870	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	227.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99460	0.9
69.03411	6.7
98.28923	1.1
119.08584	1.0
128.06119	1.4
129.06941	1.5
131.08582	1.0
141.06989	1.2
143.08543	20.8
153.06926	1.6
156.09343	2.5
157.10129	5.7
158.07266	2.0
165.06967	6.0
166.07787	12.0
169.06468	1.8
171.08034	19.9
171.11673	11.5
181.10110	30.8
183.07915	1.4
184.08728	16.4
185.09592	7.4
185.13211	1.3
185.78180	1.0
191.08536	2.6
194.07289	5.9
197.05928	1.6
198.10382	6.7
199.11171	100.0
209.09570	22.0
212.08269	17.6
212.11702	1.0
227.10661	89.2
227.14044	8.7
227.17993	4.4
239.25044	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	227.1065
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
52.99460	0.9
69.03411	6.7
98.28923	1.1
119.08584	1.0
128.06119	1.4
129.06941	1.5
131.08582	1.0
141.06989	1.2
143.08543	20.8
153.06926	1.6
156.09343	2.5
157.10129	5.7
158.07266	2.0
165.06967	6.0
166.07787	12.0
169.06468	1.8
171.08034	19.9
171.11673	11.5
181.10110	30.8
183.07915	1.4
184.08728	16.4
185.09592	7.4
185.13211	1.3
185.78180	1.0
191.08536	2.6
194.07289	5.9
197.05928	1.6
198.10382	6.7
199.11171	100.0
209.09570	22.0
212.08269	17.6
212.11702	1.0
227.10661	89.2
227.14044	8.7
227.17993	4.4
239.25044	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	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
57.63354	1.3
58.27914	1.0
69.03399	5.6
71.04989	2.6
75.07258	1.1
85.06525	1.4
90.07735	1.2
93.06991	1.7
94.40659	0.9
95.04971	2.5
95.08565	1.4
95.85872	1.1
99.04433	9.4
107.08549	2.4
109.10114	1.3
115.05288	1.0
119.04920	1.1
121.10101	1.7
123.08067	4.5
128.06137	1.4
129.06992	6.7
133.10094	1.8
141.06950	4.8
143.08556	27.0
146.90100	1.1
151.11131	1.5
153.07036	2.3
155.08519	2.3
156.09280	5.1
157.10149	8.1
158.07170	2.4
165.06969	4.7
166.07759	15.8
167.08554	2.0
169.06470	2.3
171.08066	19.4
171.11667	11.3
172.08818	4.3
179.08571	1.0
181.06613	1.6
181.10103	34.5
183.08054	2.5
183.13855	1.3
184.08647	11.0
184.10194	2.1
185.09599	10.7
185.13190	1.6
191.08527	1.6
194.07237	7.4
194.10855	1.1
197.09688	1.5
198.10400	7.9
199.11159	100.0
201.63794	1.0
209.09604	23.0
212.08318	19.0
227.07077	2.4
227.10649	98.2
227.14165	18.7
227.17873	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	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.85126	0.3
55.01249	0.3
67.05471	0.4
68.06257	0.4
100.32761	0.4
143.08536	0.5
157.10124	0.8
158.07196	0.4
169.06448	0.6
171.08049	0.6
171.11595	1.7
181.10146	1.0
184.10001	6.7
194.07176	0.7
199.11121	3.9
209.09630	0.6
209.13161	0.5
211.07501	5.2
212.08298	5.9
225.09126	0.8
227.10658	100.0
227.14308	5.3
227.17950	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	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
69.03432	6.2
97.10105	0.9
105.06982	1.2
128.06163	1.5
129.06995	1.4
131.89250	0.7
132.90878	0.9
138.69206	0.8
141.06999	1.5
143.08557	18.9
156.09270	1.2
157.06482	0.8
157.10114	3.6
158.07262	3.2
165.06918	4.4
166.07817	10.9
167.08522	1.4
169.06462	1.7
171.08057	16.5
171.11629	8.7
181.10114	31.8
183.08063	3.9
183.11520	0.9
184.08528	10.0
184.10208	13.2
185.09564	5.9
186.10402	0.7
191.08528	3.8
194.07292	9.7
197.06039	1.2
198.10394	6.9
199.11172	93.7
209.09607	22.5
212.08316	14.4
227.10657	100.0
227.13904	8.1
227.17918	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	227.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94515	0.4
57.58630	0.4
69.07029	0.6
79.05517	0.5
93.06982	0.7
95.08597	0.6
107.08587	0.5
109.06498	0.6
123.04348	0.6
125.05964	0.8
151.03926	0.9
163.01820	1.8
163.07596	0.6
181.02966	0.5
181.10130	0.7
183.03102	0.5
183.53169	0.6
184.09956	6.6
209.13312	0.6
227.12518	100.0
227.17551	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26758	0.5
55.01862	0.6
55.05515	0.9
57.03439	0.7
67.05492	1.4
69.07048	2.5
71.04974	6.3
79.05510	0.8
81.07055	2.6
83.04979	0.9
83.08612	1.1
85.06538	2.4
91.05490	1.5
93.07032	4.9
95.04955	22.9
95.08601	4.5
97.06541	4.5
99.04459	9.7
99.08097	4.9
99.73337	0.7
105.07001	3.0
107.05019	0.9
107.08587	7.9
109.06515	6.0
109.10120	3.0
114.09125	0.9
117.07047	0.8
119.04922	1.0
119.08568	4.1
121.06476	3.3
121.10103	7.6
123.08038	1.1
123.11712	1.2
125.09586	3.0
127.07528	3.1
129.07018	0.9
130.66313	0.6
131.08586	1.0
133.10115	12.6
135.08037	4.4
135.11681	1.1
136.05180	1.2
139.11211	1.6
143.08553	1.1
145.10103	0.9
147.04373	1.3
147.08057	3.5
147.11638	3.9
148.05173	4.4
149.09622	3.3
149.13252	1.6
151.07529	4.2
151.11166	0.9
153.05493	1.6
153.09093	8.4
157.10158	3.2
162.06754	2.6
163.07494	5.9
163.14803	2.2
165.05466	2.9
166.06224	11.9
167.07108	2.2
168.07793	7.8
171.08032	1.0
171.10167	1.4
171.11613	1.5
173.13200	4.8
177.09100	4.1
178.09860	34.3
179.07063	5.2
179.10658	2.9
181.08575	100.0
183.13704	0.8
184.09982	0.8
191.14217	4.6
194.09366	17.2
194.11032	1.1
209.11711	28.9
209.13646	1.1
209.15349	3.5
227.06956	2.6
227.10675	3.0
227.12746	5.6
227.14346	3.6
227.16447	7.0
227.18105	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	227.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45397	0.8
62.64503	0.8
69.07084	0.9
81.07034	2.2
91.05452	1.1
93.07022	1.9
93.66112	0.9
95.04996	1.9
95.08599	2.0
105.07040	4.3
107.08598	1.7
119.08559	6.4
121.06455	3.6
131.08530	2.2
133.06516	9.9
133.10112	1.1
142.07855	1.4
143.08591	9.7
145.06483	1.5
145.10094	3.7
155.08549	1.3
156.09360	1.7
157.10094	11.3
159.07973	1.4
159.11717	1.7
167.08507	2.0
169.10089	2.2
170.10866	1.4
171.08017	6.6
171.11684	14.8
172.08784	4.1
181.10147	1.7
183.11638	1.9
184.09988	11.2
185.09607	6.0
185.13208	6.4
194.10931	2.1
197.09593	2.4
197.13287	1.3
198.10304	1.1
199.11130	1.1
199.14847	7.0
209.13286	6.6
212.11920	7.8
227.10629	3.8
227.14297	100.0
227.17717	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	227.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38041	0.6
52.23420	0.6
66.84318	0.6
67.05482	0.6
69.07076	5.8
73.06515	0.6
78.39830	0.6
79.05502	4.9
93.07016	3.3
95.04951	2.5
95.08561	0.7
96.07531	1.2
96.08125	29.5
96.08740	1.2
97.06515	3.8
107.08600	0.8
107.71161	0.5
113.02348	1.2
113.10758	6.2
114.09160	24.8
114.67788	0.6
115.07520	1.3
121.06469	2.3
123.04439	0.8
123.08013	0.7
127.07539	0.8
127.19965	0.7
135.08046	3.2
137.09634	0.7
139.07516	2.7
163.01872	0.8
163.07491	3.5
167.07001	1.2
181.08557	2.2
184.09935	2.9
185.08096	5.1
209.08092	1.0
209.16475	18.4
227.17525	100.0
233.13335	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	227.1756
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
52.26636	0.4
54.71455	0.5
55.05510	1.1
56.05046	8.0
56.96572	1.3
57.03434	1.1
58.06599	0.8
61.54938	0.5
69.03416	0.6
71.05000	14.4
73.06556	1.3
73.99888	0.6
82.06584	1.3
84.07655	0.9
84.08142	22.3
85.02887	1.0
86.06049	3.4
97.02928	0.9
98.09686	0.6
98.97579	8.6
100.07607	1.3
105.75995	0.5
109.02888	0.8
110.06035	9.9
110.09675	5.6
110.97559	2.2
112.07581	3.9
112.99162	0.6
114.05499	1.1
116.98624	2.3
118.98035	0.5
119.01837	0.6
121.01640	1.2
126.09122	1.3
128.10718	74.8
128.57176	0.6
128.98537	1.0
133.04941	0.6
134.99567	0.5
137.75220	0.5
138.09143	63.4
139.09735	0.8
140.10709	100.0
157.13365	27.1
158.08153	4.0
158.99641	0.7
161.02756	0.6
167.02100	0.7
168.87486	0.6
170.03383	2.3
170.99596	1.0
184.09912	2.8
185.03047	0.9
186.04376	0.6
195.00034	0.7
201.00726	1.0
209.03181	0.8
226.98216	0.5
227.10060	5.1
227.14046	8.0
227.17534	42.3
231.02000	0.6
235.14790	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	227.1754
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.13880	0.3
55.05499	0.4
69.07068	7.4
73.06535	0.6
79.05497	3.6
93.79566	0.3
96.08128	30.8
97.06504	1.7
99.92443	0.3
113.10757	6.8
114.09160	24.2
115.07552	0.9
132.86832	0.4
144.34772	0.4
165.28938	0.3
184.09972	0.4
209.16469	17.2
210.14774	0.4
227.17529	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	227.2004
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
53.39709	3.2
53.83114	3.6
55.05518	39.3
56.96551	4.2
57.07080	42.9
67.05502	22.2
67.63325	3.7
69.07066	100.0
71.04964	5.0
71.08627	26.6
79.05491	7.0
81.07050	41.3
83.08627	49.6
85.10171	10.0
93.07035	21.1
95.08575	47.6
97.06500	9.5
97.10150	46.3
104.14500	4.1
107.08583	20.8
109.10136	27.2
109.23705	4.4
110.51916	4.2
111.08049	9.7
111.11720	15.9
121.10130	28.0
123.11701	4.1
125.09629	23.7
129.07011	4.0
135.11681	39.2
139.11177	18.6
143.08531	5.3
149.13205	6.6
153.12671	7.4
157.10193	5.2
166.07756	4.2
171.11684	7.8
181.10065	9.0
184.09958	52.1
185.13156	8.9
186.18576	20.1
191.17940	40.5
199.11172	25.6
209.09616	5.4
209.18964	16.7
227.10612	24.9
227.14430	19.0
227.17896	18.9
238.93385	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	228.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00427	1.1
55.05519	17.4
58.85533	1.1
59.05002	1.1
59.54332	0.9
69.03422	6.7
82.94871	1.0
83.04498	2.1
83.04982	60.5
83.08618	26.1
85.06530	2.3
89.59756	1.3
100.11239	7.3
110.06026	4.3
111.04436	100.0
118.12286	79.3
118.13139	2.5
128.07059	1.2
170.13318	1.0
185.10429	1.8
210.14888	15.2
228.16008	11.3
249.42972	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	228.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.5
64.90287	0.8
70.74831	0.9
83.04494	2.1
83.04981	61.8
83.08617	23.2
85.06527	1.6
100.11253	6.6
110.06046	1.9
111.04438	100.0
118.12283	96.2
125.11230	1.2
129.27974	1.3
167.46088	1.1
203.17488	1.0
210.14949	4.4
228.16002	14.2
228.23248	2.3
229.62877	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	228.2322
Annotation	Halaminol C
Peak:m/z	Relative Intensity
57.07062	4.0
67.49446	0.6
70.66698	0.7
71.08611	1.4
88.07634	6.0
95.08588	0.9
95.68156	0.8
101.84436	0.7
102.09157	4.8
105.36208	0.7
113.06581	0.7
116.10686	3.4
130.12239	0.8
149.76796	0.9
161.09451	0.7
185.10284	1.0
228.23203	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	229.1069
Annotation	Depdecin
Peak:m/z	Relative Intensity
53.03944	7.9
55.01855	2.7
55.05516	17.5
57.03444	24.3
57.07079	1.9
60.08153	2.4
61.02919	2.3
64.10726	1.6
66.57008	1.8
67.05494	9.7
68.56481	1.7
69.03426	88.4
69.07047	4.4
70.06580	17.0
71.01341	3.9
71.04980	22.9
73.02894	7.5
75.50793	1.7
79.05470	4.1
81.03415	28.1
81.07034	3.8
83.05005	13.4
84.08129	2.2
85.02401	2.2
85.02900	52.7
85.06531	17.2
86.09682	1.9
91.05460	9.0
93.07037	13.4
95.04954	9.1
95.08596	3.8
97.02893	30.1
97.06508	7.2
98.97566	1.7
99.04457	16.6
103.03914	1.8
103.76875	2.1
105.07020	3.4
107.08563	2.5
109.02865	10.5
109.06499	11.9
111.04435	10.4
111.08040	1.9
114.05563	2.2
117.06985	2.8
119.08566	3.2
119.79396	1.7
121.06481	10.0
121.46300	1.8
123.08021	7.0
124.07561	3.2
127.03886	50.7
129.05441	9.1
142.08623	24.7
145.04965	3.0
145.96681	3.0
147.08040	7.0
151.07573	3.5
163.07452	1.9
167.07018	2.5
170.08011	2.6
187.97707	3.4
205.98799	4.4
211.09671	3.7
229.10654	4.2
229.15450	100.0
229.17729	4.0
242.99573	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	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
55.05503	0.6
67.05497	1.0
81.07056	0.9
93.07011	0.7
95.08611	0.8
102.11626	0.5
105.07004	0.7
109.10167	0.7
128.16852	0.5
129.06998	0.6
131.08565	1.1
133.10130	0.7
143.08540	0.6
144.05675	0.6
145.06543	0.5
145.10081	0.6
155.08557	0.8
157.77092	0.5
159.08041	4.6
159.11682	0.8
169.06299	0.5
171.08051	0.6
171.11624	2.2
185.13202	0.6
187.07530	44.6
201.12769	0.7
205.98717	1.1
211.11165	2.0
212.04704	0.6
212.06535	9.7
229.06888	4.3
229.08528	3.4
229.12219	100.0
229.15886	4.2
229.23453	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	229.1223
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
50.60287	1.2
53.03948	1.8
53.25885	1.4
61.97350	1.4
63.38401	1.5
69.03428	20.3
69.15150	1.4
69.68923	1.3
72.49637	1.3
74.83991	1.4
83.04958	2.3
91.05442	2.1
93.07018	3.6
95.10628	1.6
109.02888	16.8
119.08560	2.9
121.06492	9.8
131.08539	6.8
133.10114	9.1
143.08496	2.9
145.06490	2.1
145.10159	7.0
155.08549	2.1
157.10126	3.7
158.10948	10.9
158.12080	1.8
159.08028	6.0
159.11673	11.5
165.03625	1.7
168.09311	2.9
170.10883	6.2
171.08084	2.1
172.08844	1.9
173.09637	38.2
173.13251	42.7
173.48460	2.0
183.11667	11.6
186.10442	21.2
187.07507	1.8
187.11174	58.6
196.08861	3.0
201.12750	70.3
211.11208	15.6
214.09879	6.4
229.12238	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	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03940	3.0
55.05500	2.9
56.32799	1.2
60.75238	1.2
61.65224	1.3
67.05493	1.7
69.03435	21.7
74.32333	1.3
79.64770	1.2
81.07058	1.6
83.04974	8.1
83.08601	5.9
84.92361	1.1
85.06501	2.5
91.05476	1.5
93.07032	7.5
95.04921	1.7
95.08594	2.8
105.07020	5.3
107.08588	2.4
109.02892	16.0
109.10174	13.8
117.07001	1.5
119.08560	5.4
121.06480	7.2
121.10136	1.6
123.11699	7.2
125.09610	2.0
127.11154	6.4
130.45236	1.3
131.08525	6.0
133.10130	8.1
135.08099	1.6
135.11694	3.2
143.08607	4.3
145.06467	1.5
145.10101	10.4
145.20610	1.4
149.13318	1.5
155.08554	1.8
157.10066	2.9
158.10860	9.3
159.08040	7.2
159.11775	9.8
167.14308	5.7
168.09332	1.3
169.12143	5.2
170.10847	5.6
172.08792	6.0
173.09601	35.7
173.13235	45.2
183.11678	8.7
185.13237	1.7
186.10411	18.3
187.11163	56.6
196.08864	5.5
201.12737	52.5
211.11235	11.3
211.16856	15.5
214.09859	2.6
229.12231	100.0
229.15904	6.2
229.19633	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	229.1547
Annotation	Leucylproline
Peak:m/z	Relative Intensity
55.93515	0.3
56.57236	0.4
60.88923	0.4
61.67196	0.4
67.48361	0.4
69.07059	1.8
69.78485	0.4
70.06593	21.0
72.08152	0.9
81.07082	0.5
84.04530	0.6
86.09708	70.0
91.05478	0.5
93.00117	0.4
116.07091	100.0
116.92120	0.4
118.06548	2.1
123.04350	0.5
133.06523	1.5
139.23763	0.4
141.06940	0.7
142.06586	0.4
144.08072	1.0
144.53879	0.4
146.06000	6.6
146.35150	0.4
151.03915	1.9
155.08607	0.4
165.09123	3.0
167.07013	5.6
169.04962	2.4
170.06010	0.6
173.06007	0.5
176.48256	0.5
183.04527	0.5
187.97736	0.5
188.07069	4.1
193.08594	1.7
197.06000	0.7
201.05405	0.8
201.09041	0.6
211.07759	0.5
214.06526	0.5
229.04945	2.9
229.08635	2.1
229.12062	0.6
229.15453	14.1
246.59854	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	2.4
58.24051	0.4
60.08162	5.0
70.06215	0.7
70.06587	13.6
76.56612	0.4
87.14962	0.4
92.17910	0.5
95.49923	0.5
104.08255	0.4
114.05525	1.9
124.07564	2.9
142.08627	21.0
170.08078	0.7
205.42438	0.5
229.15459	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	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.81263	0.3
56.13684	0.3
58.06601	2.7
60.08175	4.5
70.06217	0.5
70.06593	12.1
76.58089	0.3
79.24763	0.4
80.68920	0.4
88.20156	0.4
89.77684	0.4
93.50258	0.3
110.49847	0.3
111.13246	0.4
113.02610	0.4
114.05496	2.1
116.07078	0.4
124.07585	2.9
140.74290	0.4
142.08632	25.2
170.08116	2.0
229.15457	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44725	0.7
55.05528	1.0
65.60529	0.8
67.05493	1.9
69.07076	1.0
75.91412	0.7
79.05491	3.8
81.07070	11.7
83.08622	1.4
91.05452	1.7
93.07037	14.7
93.66388	0.8
95.08102	1.0
95.08612	17.8
97.10168	1.0
105.07043	9.6
106.76226	0.9
107.08594	13.0
109.10152	6.5
119.08586	22.2
121.10133	12.3
123.11671	3.8
124.35217	1.0
124.79488	0.8
131.08546	6.2
133.10124	15.6
135.11710	15.9
136.62764	0.8
144.25706	0.8
145.10143	8.3
147.11678	13.4
149.13229	4.8
159.11700	15.9
161.13213	1.4
173.13254	17.3
187.14792	3.4
201.16423	3.3
218.94594	0.9
229.12241	1.2
229.19510	100.0
245.87990	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	230.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04522	7.4
85.84238	1.1
101.00909	2.2
106.96239	1.0
119.01903	1.8
119.03551	0.9
121.84180	0.9
124.02439	1.8
134.03030	2.0
142.03494	14.9
143.03654	1.8
144.06738	1.3
158.06680	1.2
160.04581	7.1
166.03500	28.3
167.03680	2.1
184.04558	100.0
185.03203	1.0
185.04614	9.1
188.04112	2.1
188.05792	6.9
202.05576	19.7
206.05081	1.5
206.06955	2.1
211.22823	1.0
212.03996	1.6
212.05835	1.7
230.05028	27.8
230.06956	5.0
231.05338	1.5
248.06212	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	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.6
56.96572	23.4
58.75662	1.7
60.08172	14.3
69.92804	1.4
70.06574	7.1
72.04533	1.5
72.08171	1.9
82.02945	2.0
83.67484	1.5
86.06112	2.8
86.09698	1.6
87.81439	2.0
89.14275	1.6
98.06038	1.7
98.97577	100.0
100.07600	2.6
112.05117	1.7
116.98613	50.7
118.41196	1.5
128.98602	2.5
129.03098	1.6
129.11040	1.5
131.00139	1.8
134.48271	1.5
134.99648	16.4
137.02982	1.5
140.07031	1.7
141.07451	3.0
142.05486	1.8
142.08607	7.5
143.08974	10.5
160.06490	2.0
166.95592	1.7
170.99535	2.1
184.09685	10.4
188.02243	6.2
188.10283	26.1
189.00671	9.7
189.04390	19.8
206.06989	3.3
206.98912	3.6
207.01849	3.0
207.05373	10.1
212.02409	2.3
213.09837	12.8
224.08257	2.7
230.03252	1.9
230.06984	12.0
230.10152	6.9
230.15779	46.2
230.18469	5.3
248.08047	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	230.1538
Annotation	Neopellitorine A
Peak:m/z	Relative Intensity
58.63987	0.3
65.87434	0.3
83.04971	1.5
92.17795	0.8
92.25190	0.3
122.64387	0.3
131.08568	5.2
143.08475	0.5
145.10104	0.8
156.08057	0.7
157.06616	0.4
157.09993	0.5
169.10062	0.4
171.07982	0.7
174.09160	3.5
185.09573	0.6
185.13249	6.3
212.14334	0.4
213.12720	6.3
230.15385	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	230.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27730	0.3
53.94152	0.3
58.06596	2.1
59.06953	0.3
59.71226	0.3
60.08168	3.9
61.08485	2.0
70.06593	8.7
71.06927	4.7
73.38199	0.4
74.90617	0.3
99.09114	0.4
103.01846	0.3
104.49169	0.4
110.59134	0.4
114.05531	0.7
115.05842	0.7
124.07563	1.5
125.07904	1.9
142.08629	9.6
143.08989	16.3
155.14662	0.3
170.08141	0.5
171.08467	1.6
230.15797	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	230.1901
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
52.00959	0.2
59.89397	0.2
64.32112	0.2
64.80207	0.2
77.92020	0.2
92.17933	0.3
93.74917	0.2
102.94617	0.2
113.69430	0.2
126.04330	0.2
128.73698	0.2
130.06587	0.2
137.19946	0.2
158.09673	0.2
173.11984	0.3
186.12709	0.2
187.13493	2.1
214.15860	1.8
215.16614	1.1
230.19019	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	230.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00959	0.2
59.89397	0.2
64.32112	0.2
64.80207	0.2
77.92020	0.2
92.17933	0.3
93.74917	0.2
102.94617	0.2
113.69430	0.2
126.04330	0.2
128.73698	0.2
130.06587	0.2
137.19946	0.2
158.09673	0.2
173.11984	0.3
186.12709	0.2
187.13493	2.1
214.15860	1.8
215.16614	1.1
230.19019	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	230.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92166	0.5
52.76803	0.5
70.06584	9.0
74.66771	0.5
83.08578	0.5
84.08118	1.1
92.18510	1.1
93.06986	0.5
93.37549	0.6
95.08601	1.0
97.34054	0.5
109.10148	0.8
119.08572	8.6
135.77037	0.5
186.12857	0.6
200.14323	14.4
201.15077	6.8
202.15866	1.1
206.33147	0.5
230.19012	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	230.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	9.7
58.06583	1.5
62.05827	0.7
62.06092	9.5
63.42448	0.8
71.04087	0.7
71.08632	6.3
85.10168	2.8
89.17526	0.8
163.85541	0.7
181.60426	1.0
212.23737	8.6
230.24777	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	230.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06829	0.5
57.07078	11.8
58.06588	3.4
62.06092	10.5
64.36449	0.4
71.08622	7.6
71.63246	0.5
72.30357	0.5
79.83055	0.4
85.10182	4.1
112.37944	0.5
119.47378	0.5
125.75083	0.5
195.40506	0.5
206.59818	0.5
212.23749	9.2
230.24773	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	230.2478
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
53.14421	0.4
55.65340	0.4
57.06833	0.5
57.07085	10.9
58.06601	2.3
60.42586	0.4
62.06095	10.4
71.08634	6.6
85.10168	2.4
130.34747	0.6
156.49681	0.5
212.23726	9.6
230.24786	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	230.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68798	0.6
57.07082	11.6
58.06584	2.7
62.05822	0.7
62.06092	11.0
71.08621	7.5
74.15856	0.5
75.13985	0.7
77.77445	0.6
85.10176	3.1
98.52355	0.7
139.05203	0.8
191.54410	0.7
212.23720	10.1
230.24777	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	230.2478
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.06829	0.5
57.07080	10.5
58.06596	1.1
60.79787	0.5
62.05841	0.6
62.06097	11.4
66.22675	0.5
71.08636	8.3
83.87129	0.5
85.10179	1.3
86.23130	0.5
92.02887	0.6
92.18501	1.9
110.47245	0.6
176.03917	0.6
185.06599	0.5
196.68861	0.6
212.23744	8.8
217.98442	0.6
230.24785	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	230.248
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.07063	4.5
58.06603	85.3
62.05820	0.7
62.06089	11.2
68.30443	0.6
71.08611	4.5
73.95435	0.6
85.10152	0.9
127.29655	0.8
138.47438	0.7
159.98228	0.9
167.34570	0.7
212.23734	6.8
230.24767	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	230.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10960	0.6
55.01682	0.6
57.07081	10.5
57.32462	0.6
58.06598	2.2
62.06092	10.1
62.66523	0.5
71.08632	7.5
85.10166	2.9
92.18544	0.6
109.34891	0.6
123.66809	0.5
123.98416	0.5
137.81972	0.6
154.16457	0.6
156.42125	0.6
170.70708	0.5
212.23753	9.7
230.24777	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	231.0651
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
52.64567	0.3
57.74229	0.3
59.11639	0.3
61.61361	0.3
66.60264	0.3
67.01862	0.4
95.04944	0.8
105.03391	29.8
105.07021	0.5
111.01482	0.4
153.01820	100.0
171.02849	0.4
185.05991	1.4
193.68604	0.4
213.05411	2.0
231.06508	33.9
231.13898	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	231.1379
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
54.44611	1.1
55.05500	6.6
57.86580	1.1
67.05492	3.2
69.07062	3.0
79.05481	6.8
81.07050	8.1
83.04981	1.3
84.42181	1.4
91.05470	7.3
93.07047	14.8
95.08575	8.8
97.06534	2.3
103.05434	1.5
105.07030	17.5
107.08599	13.4
109.02876	1.6
109.10094	1.4
111.08076	1.5
112.57645	1.4
115.05470	1.9
117.07023	11.9
119.04888	2.9
119.08586	12.7
121.10126	8.6
123.08105	1.8
129.06972	7.5
131.08562	31.5
133.06508	9.4
133.10101	10.6
137.05959	2.5
139.07492	2.6
141.06889	1.3
142.07817	2.1
143.08574	21.6
144.09308	1.8
145.06468	1.5
145.10120	35.6
147.04413	10.0
147.08031	3.3
147.11685	6.1
149.05969	7.1
156.09274	1.6
157.06412	2.1
157.10132	22.3
158.10857	1.9
159.08029	7.7
159.11679	18.2
161.05974	27.2
161.09579	7.9
163.07495	2.9
170.10968	1.6
171.04333	1.7
171.08037	5.9
171.11661	5.6
172.08838	2.3
173.09633	2.8
173.13277	9.7
175.07544	18.1
175.11186	3.3
175.14792	7.3
178.60648	1.3
179.07025	5.3
185.05911	2.0
185.09682	2.7
185.13246	39.7
186.70947	1.4
186.98184	1.4
187.11115	1.6
187.14818	21.3
189.09096	17.0
189.12679	1.5
195.11749	1.8
197.45427	1.3
201.12785	11.3
201.14392	1.7
203.14297	12.8
213.05414	3.1
213.12730	24.1
214.04628	1.4
216.09416	1.6
220.09599	1.3
231.06505	42.6
231.10153	2.8
231.13792	100.0
231.17393	3.1
249.32455	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	231.1379
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
55.05493	2.6
61.67380	2.3
67.05490	4.7
69.07059	3.8
71.05021	2.0
79.05495	7.9
81.07051	8.3
83.04980	3.9
90.00199	2.2
91.05457	13.3
93.07024	11.8
94.49139	2.6
95.04962	8.9
95.08588	12.9
97.06502	2.5
105.07019	18.7
107.08604	12.6
109.06516	10.3
117.07046	4.1
119.08578	22.2
121.06503	13.2
121.10140	15.7
123.08080	8.1
128.06201	4.9
129.06999	11.1
131.08543	11.5
133.06508	3.7
133.10107	26.6
135.08032	13.1
136.08846	9.5
137.09587	3.5
142.07764	12.0
143.08549	27.4
145.10143	12.4
147.08014	22.6
147.11597	2.4
149.09633	5.3
155.08545	4.2
156.09351	5.2
157.10104	28.0
159.08191	3.3
159.11658	10.3
161.09599	24.5
165.06903	3.0
165.65417	2.4
169.10167	3.1
170.10930	21.9
171.08034	9.1
171.11667	10.9
173.09645	3.3
174.10283	2.5
175.07439	2.5
175.11166	8.7
175.14908	7.9
180.09337	4.8
185.13261	28.9
187.11168	9.5
189.09196	3.5
189.12781	2.5
195.11700	5.3
198.10385	12.2
201.12752	2.5
203.14323	16.5
213.12744	23.7
216.09381	3.7
231.11694	5.7
231.13753	100.0
242.53091	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	231.1703
Annotation	Val Ile
Peak:m/z	Relative Intensity
55.05516	7.0
57.05818	0.3
60.87899	0.2
72.08154	100.0
81.07052	0.4
86.09697	4.8
97.02966	0.3
109.06508	0.4
125.06068	0.4
132.10194	4.2
137.06026	0.3
153.05458	0.4
162.05504	0.2
163.59488	0.3
185.16566	1.1
190.04999	0.4
217.45689	0.2
231.06355	1.8
231.11937	1.5
231.16991	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	231.1702
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
54.42035	0.3
55.01881	0.3
55.05524	2.8
69.03428	0.5
69.07065	0.5
72.08154	34.4
85.02893	0.4
86.09704	100.0
97.06535	0.4
118.08627	2.9
128.21454	0.3
128.52388	0.3
132.10173	1.4
153.01868	1.6
153.05466	0.3
161.06004	0.4
163.03909	1.2
185.16489	2.6
213.05405	0.3
228.94432	0.3
231.06532	2.5
231.10170	0.5
231.16988	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	231.1744
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
55.01860	1.5
55.05506	1.4
57.07065	2.2
58.98941	1.3
64.06350	1.3
67.05491	2.1
69.07048	2.8
79.05474	3.0
81.07069	21.2
83.04948	3.1
91.05473	17.2
93.07054	14.0
95.04957	1.8
95.08112	1.4
95.08607	21.7
97.06511	6.3
101.25069	1.2
105.06994	8.1
107.04945	13.0
107.08599	24.0
109.06489	8.4
109.10159	16.6
119.08578	12.6
121.10141	15.1
123.08056	4.9
123.11707	22.1
129.06953	5.4
131.08511	5.7
133.06451	5.4
133.10152	14.7
135.07988	2.8
135.11696	90.1
137.09589	2.2
137.13242	24.2
143.08496	6.2
145.10139	18.0
145.97321	1.4
147.07999	6.7
147.11647	2.8
149.09547	2.2
149.13182	8.2
157.10126	16.9
157.64752	1.6
159.11621	5.9
161.09547	6.3
171.11661	10.9
173.13164	1.9
174.07820	2.2
175.11098	8.3
175.14699	1.5
185.13245	5.3
187.14804	4.4
192.62163	1.5
198.68254	1.5
203.63138	1.4
213.16376	33.9
225.81235	1.6
231.06433	3.1
231.11536	3.3
231.14865	19.5
231.17352	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	232.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72314	0.4
55.51458	0.5
59.04973	1.7
69.03423	0.7
70.53194	0.5
83.50826	0.5
95.32129	0.6
101.04322	0.5
101.06023	0.6
113.05996	70.9
124.18059	0.5
129.05479	0.7
138.87234	0.6
173.08075	100.0
177.69594	0.5
214.05766	0.9
232.06863	2.6
232.15419	29.5
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
57.03458	0.5
60.08167	7.9
65.79624	0.3
70.39068	0.3
71.04987	1.6
85.02906	100.0
97.12019	0.4
106.59078	0.4
112.27306	0.3
144.10193	1.7
173.08078	10.9
173.09404	0.4
216.61896	0.4
232.15425	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	232.1697
Annotation	Metazocine
Peak:m/z	Relative Intensity
51.55244	0.6
55.05497	0.6
67.05508	1.7
69.07057	1.1
79.05482	1.4
80.05010	6.4
81.07072	5.5
82.25339	0.8
83.08609	0.8
88.89750	0.7
91.05433	1.2
91.79309	0.7
93.07051	5.9
95.08606	6.9
96.04487	8.0
105.07012	4.3
107.08597	8.4
108.04476	24.9
109.10150	10.1
110.06061	5.4
119.08533	5.4
121.10123	3.4
123.11700	17.7
124.07581	14.4
133.10115	5.9
135.11705	11.2
136.07568	4.4
138.09142	7.2
141.64267	0.7
147.11659	3.7
148.07550	1.2
149.13257	5.8
150.09096	5.9
152.10651	3.5
162.09120	4.4
163.09898	1.5
164.10684	4.7
167.62143	0.7
175.11165	0.8
175.14754	3.8
176.10667	10.6
187.14832	1.3
189.16351	6.2
190.12250	1.7
203.14334	1.2
204.17480	1.6
232.16942	100.0
242.69144	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	232.1696
Annotation	UNDEC-2-ENE-8,10-DIYNOIC ACID ISOBUTYLAMIDE
Peak:m/z	Relative Intensity
58.18840	0.5
68.84825	0.4
69.07076	3.4
75.16439	0.4
80.84951	0.5
87.42522	0.4
96.04466	2.5
105.07020	2.1
107.08559	0.6
124.07592	0.9
131.08571	1.9
133.10085	0.9
136.07574	0.9
138.09135	0.5
148.07547	1.1
150.09149	3.3
150.49709	0.5
158.09685	0.7
159.08043	0.8
162.09105	4.8
162.47324	0.5
163.09912	3.2
164.10701	5.1
175.35118	0.5
176.10677	8.1
181.66989	0.5
187.14838	1.7
190.12253	1.1
197.17101	0.5
204.13811	0.9
204.17494	0.8
214.74274	0.5
215.14282	2.0
220.40314	0.5
232.16946	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	232.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84781	0.4
56.17838	0.4
65.06146	0.5
65.54206	0.5
75.98010	0.6
80.05028	2.3
81.07040	2.7
82.02864	0.5
83.11812	0.5
83.44070	0.6
92.18509	1.2
93.07044	1.1
96.04472	3.3
100.69636	0.5
107.08629	0.6
108.04482	17.3
108.08070	1.2
109.10155	1.2
121.10107	0.8
122.05999	0.9
123.11705	26.4
131.08539	0.7
136.07588	8.1
149.13242	4.3
155.58514	0.6
162.09021	0.9
176.10687	1.3
232.16946	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	232.1696
Annotation	alpha-Pyrrolidinopentiophenone
Peak:m/z	Relative Intensity
53.45464	0.4
59.19453	0.3
69.07060	0.5
69.48669	0.4
91.05489	0.6
94.02901	1.6
96.04482	0.8
105.06997	1.0
105.57043	0.4
108.08059	0.6
118.06554	0.5
119.08565	2.4
121.10117	0.6
122.06033	0.7
123.11705	3.2
133.10124	0.5
136.07570	8.4
148.07591	0.4
149.13214	0.6
150.09129	0.7
156.90396	0.4
159.86200	0.4
162.09071	0.7
164.10628	0.6
166.94339	0.5
176.10699	0.8
200.34309	0.5
214.15895	0.6
232.16943	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	232.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34774	0.7
56.05041	8.0
57.07073	7.0
71.08627	6.8
74.06075	25.0
78.97106	0.6
88.07628	67.3
90.71359	0.6
100.41815	0.7
102.05529	6.2
102.71429	0.7
105.09075	0.8
112.24522	0.7
116.07085	0.9
120.06579	9.4
154.13075	0.7
186.18513	54.6
214.18079	6.5
232.06744	2.7
232.14191	3.0
232.19063	100.0
237.28305	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	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08141	47.9
79.12119	50.5
87.33908	51.9
91.49152	56.0
92.18458	73.2
95.67896	46.4
111.17202	61.0
116.34898	49.7
217.08420	61.7
217.74080	58.8
233.04239	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04552	15.9
61.44851	17.1
64.17219	21.8
74.13657	21.7
76.91556	19.1
88.17575	21.5
91.40776	19.8
115.58891	19.1
180.95404	21.5
213.38510	19.2
233.04225	100.0
245.69919	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	233.0808
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01859	10.0
56.76888	1.5
67.15656	2.2
71.01328	2.8
72.95934	2.1
73.02910	2.6
79.05518	2.1
81.03402	8.9
84.37017	2.0
86.09695	2.6
91.05451	3.7
97.02911	23.3
103.05454	15.5
115.05432	4.6
117.06981	4.7
121.06446	9.2
122.01806	1.8
123.04375	2.8
123.96712	2.0
128.06207	4.6
129.06969	12.6
131.04916	47.3
131.08525	13.6
131.79327	2.2
132.95799	4.4
137.05981	19.6
141.05453	3.0
141.06990	20.5
143.04858	2.1
143.08533	2.7
144.05638	3.2
145.06454	11.4
145.10201	1.9
147.04395	8.5
147.08015	2.8
149.04865	3.9
149.05975	86.8
149.96124	2.5
157.06447	13.7
159.07980	25.0
161.06003	21.5
163.03888	11.3
163.07465	11.4
165.01825	9.5
165.05446	28.7
165.08553	2.3
169.06496	15.9
173.05937	17.4
174.06761	21.2
175.07520	13.2
177.09023	13.9
185.05974	4.5
187.07486	45.4
189.05453	9.5
190.06209	2.3
190.98746	2.7
191.07010	9.4
191.97154	3.2
197.05969	11.6
203.07042	17.0
205.08566	19.9
205.13408	2.7
215.07010	32.6
233.04419	5.1
233.08041	100.0
233.12875	3.8
254.33589	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	233.0808
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
50.42079	0.8
50.87110	0.8
68.21821	1.1
71.31731	0.9
71.32195	0.9
76.56137	0.9
78.58778	0.8
85.83844	0.9
94.77847	1.0
101.16940	1.0
115.05403	3.3
117.07008	2.2
129.06982	9.8
131.08531	1.7
143.04915	1.7
144.05710	0.9
145.06474	5.3
151.03923	1.7
157.06502	8.0
157.57387	0.9
158.07271	1.9
160.05176	11.1
172.05188	1.4
174.06775	17.4
175.07533	100.0
177.09032	1.5
181.81827	1.0
187.07535	33.0
189.09099	17.7
195.59653	0.9
201.05513	1.4
205.08582	1.0
215.07030	9.3
233.08104	26.0
233.15445	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	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
56.63798	1.3
59.04972	1.1
69.03419	2.7
69.07045	1.3
79.05469	2.3
81.07024	1.8
83.04976	1.3
83.98491	1.2
85.06517	1.8
88.27592	1.2
91.05453	9.0
93.06509	1.6
93.07034	33.1
94.78258	1.1
95.04910	2.6
95.08603	1.2
97.06501	2.9
105.07024	14.9
107.04890	1.4
107.08557	3.0
117.06998	9.7
119.00854	1.2
119.04877	1.4
119.08563	15.1
121.05636	2.2
121.06487	66.8
121.10020	1.7
128.06157	1.5
129.06937	2.6
130.07787	1.4
131.04933	4.5
131.08575	10.5
133.06429	1.8
133.10139	2.5
135.08018	5.9
135.11658	6.5
141.07039	1.3
143.08542	2.2
144.09285	6.5
145.06454	7.9
145.10124	23.1
147.08003	1.7
149.05916	6.4
156.09293	1.2
157.10097	1.8
158.07216	1.8
158.93466	1.3
159.07985	5.5
159.11671	56.6
163.11159	16.8
169.10063	8.0
172.08795	12.2
173.09605	14.6
177.12691	2.1
179.08455	2.5
181.71263	1.6
182.07278	2.4
187.11154	27.3
191.10555	6.5
197.09549	7.6
205.12213	10.8
215.10637	28.6
218.10887	1.5
233.11649	100.0
233.15446	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	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
55.01863	1.7
55.05509	2.0
56.04085	1.2
59.24693	1.3
59.74470	1.3
66.91413	1.4
67.05490	2.6
69.03412	3.0
69.07037	3.1
71.04962	2.8
79.05487	1.8
81.07046	2.8
83.04945	2.4
91.05464	13.1
93.07036	35.4
95.04924	7.1
95.08590	1.7
97.06544	2.4
105.07015	12.4
107.04931	2.3
107.08584	5.8
109.02847	1.3
115.05428	2.3
117.07001	12.5
118.52108	1.4
119.08575	18.4
121.06491	63.1
121.10109	5.7
123.04365	1.6
128.06143	1.8
129.06238	1.3
129.07010	19.8
131.04906	2.9
131.08582	17.6
133.10124	5.8
135.08011	8.9
135.11676	6.7
141.06963	1.8
143.08482	2.0
144.09352	5.6
145.06470	12.0
145.10092	22.0
147.08086	2.2
147.11723	2.1
149.05981	8.0
149.09566	1.7
151.03874	2.0
154.07751	2.2
157.06438	10.7
157.10124	3.0
158.07195	5.5
159.08022	10.6
159.11674	56.6
160.05099	1.7
161.09592	1.7
163.07472	1.7
163.11143	18.8
169.10088	9.2
172.08780	8.7
173.05943	3.5
173.09630	14.6
173.13246	7.8
174.06737	14.6
175.06018	1.7
175.07507	35.9
177.09012	3.3
177.12663	2.2
179.08549	1.5
187.07491	13.3
187.11179	28.3
189.09071	10.9
191.07002	1.7
191.10645	7.6
197.09586	8.3
205.12277	11.4
215.07005	2.1
215.10608	23.5
215.14247	1.8
233.08212	20.4
233.11681	100.0
233.15044	12.1
233.18890	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05046	10.7
57.03435	1.7
57.95620	0.3
58.06606	3.8
58.48747	0.3
74.06082	100.0
75.44159	0.3
84.04502	3.9
85.02917	0.4
86.09706	22.5
101.07138	1.8
105.22873	0.4
119.01946	0.4
132.10204	21.0
132.95868	0.7
142.12346	0.7
143.11807	0.6
169.13388	2.5
183.09485	0.4
187.14439	11.1
191.97192	0.7
215.13930	4.4
233.14960	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	233.1535
Annotation	3-Desoxo-achalensolide
Peak:m/z	Relative Intensity
54.81403	1.2
59.04984	5.0
64.42883	1.1
67.05489	3.0
67.15795	1.1
69.03425	14.7
69.07051	6.9
79.05475	6.7
81.07056	18.7
81.81506	1.2
83.04957	1.5
83.08601	1.6
85.06526	1.7
87.04454	1.4
91.05441	7.0
92.06243	1.9
93.07036	22.9
95.04971	7.2
95.08588	13.7
97.06512	4.8
99.04447	1.7
105.07016	17.6
107.08589	20.9
109.06501	5.2
109.10157	5.6
117.07006	2.1
119.08571	42.6
119.57555	1.3
121.06499	10.6
121.10134	18.2
123.08051	2.9
125.09701	1.3
131.08563	15.7
133.10117	21.5
134.10899	20.5
135.08009	6.6
135.11661	1.6
145.06512	1.8
145.10094	20.7
147.11687	2.5
149.09604	5.2
149.13066	1.8
155.08589	1.3
157.10104	2.7
159.08014	7.8
159.11667	25.1
161.13187	2.4
163.11150	6.6
163.14833	1.6
169.10072	1.5
171.11578	2.7
173.09583	10.1
173.13252	6.0
175.07613	1.5
175.11098	2.1
177.09137	2.7
177.16353	6.4
187.11156	2.4
187.14821	25.2
189.12740	1.6
191.10762	1.5
197.13242	13.0
205.15862	9.4
211.91516	1.4
215.14258	22.5
215.18152	1.3
218.11121	1.8
233.15326	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	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.05502	8.0
57.07070	1.4
58.22520	1.2
67.05495	6.0
68.15961	1.2
69.07043	9.1
79.05494	3.2
81.07053	13.4
83.08602	5.9
91.05463	9.7
93.07057	10.8
95.08620	24.2
105.07024	36.5
107.08595	11.6
109.06502	5.0
109.10175	22.9
115.05407	1.2
117.07004	1.5
119.08558	17.1
121.06470	1.3
121.10110	7.0
123.08031	5.2
123.11649	2.4
125.05876	1.8
125.09669	1.3
131.08553	17.4
133.10127	21.3
135.08090	2.4
137.05954	8.6
139.07527	1.7
143.08594	1.7
145.06480	3.1
145.10104	15.0
147.11670	14.6
149.05972	26.9
149.09581	6.7
151.07520	12.4
153.09074	6.3
159.08105	2.8
159.11664	6.9
161.13229	5.2
163.07529	21.4
163.14786	1.8
173.09569	3.1
173.13272	1.5
175.11107	2.9
177.09099	22.3
177.16328	2.7
187.14813	19.9
189.16368	5.9
191.10638	8.3
205.15887	2.7
215.14316	20.5
218.10846	2.3
222.71741	1.5
233.09518	1.7
233.13290	6.2
233.15332	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
54.97453	0.6
55.05502	3.8
57.07074	1.7
67.05508	1.5
69.07069	9.2
79.05475	2.9
81.07063	10.1
83.08623	15.5
91.05476	9.3
92.57568	0.7
93.07031	10.4
95.04958	1.3
95.08595	7.8
97.06510	1.3
98.60269	0.9
99.84625	0.7
105.07024	11.4
107.04950	0.9
107.08600	7.4
109.06492	3.1
109.10148	8.1
117.07011	3.3
119.08574	12.5
121.06493	4.3
121.10114	4.6
123.08058	2.5
125.05998	9.2
129.07007	0.7
131.08556	6.3
133.10106	8.7
135.04390	1.4
135.08054	11.7
135.11694	1.0
137.05974	7.1
137.09586	3.4
139.07515	4.6
145.06473	1.4
145.10104	11.2
147.08063	1.2
147.11679	5.5
149.05971	5.1
149.09595	4.1
151.07539	18.4
157.10170	0.9
159.08026	2.6
159.11708	5.5
161.13290	0.8
163.07541	36.0
165.09108	32.4
169.72523	0.7
171.11588	1.2
173.09601	6.9
173.13293	1.6
174.06647	0.9
175.07588	0.9
175.11189	3.4
177.09090	24.8
181.08661	1.5
182.10751	0.7
187.11157	1.0
187.14806	16.4
189.16451	1.5
191.10684	17.8
197.13205	1.5
199.90297	0.8
205.15912	3.0
206.66679	0.7
215.14287	20.1
218.10869	0.7
233.15344	100.0
233.87137	0.7
236.07541	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	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.05491	1.3
55.42295	1.0
55.81318	1.2
57.07079	1.2
67.05492	7.1
68.53253	1.0
69.07062	2.3
69.98487	1.0
79.05477	6.3
79.97550	1.0
81.07063	15.5
83.08607	2.0
91.05474	5.6
93.07025	6.8
95.08601	24.5
105.07021	14.0
107.04888	1.2
107.08584	9.8
109.06520	4.2
109.10162	22.0
117.06988	2.0
119.08572	12.5
121.10133	6.4
123.08037	6.1
123.11669	7.3
125.05942	1.7
131.08565	11.6
133.06552	1.2
133.10124	16.9
135.08038	4.5
137.05942	1.6
139.07497	6.0
145.10159	12.2
147.11662	8.0
149.05984	4.9
149.09575	6.3
151.07501	18.8
153.09067	5.3
153.34409	1.1
159.08028	2.3
159.11627	2.4
161.09518	1.2
161.13280	1.6
162.57800	1.0
163.07512	8.5
165.09096	2.2
173.09557	2.1
173.13133	1.3
177.09076	22.2
187.14813	19.7
189.16304	2.2
191.10670	5.0
197.13251	1.6
205.15884	2.3
215.14319	21.5
216.36095	1.1
233.15323	100.0
233.17358	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	233.1536
Annotation	alantolactone
Peak:m/z	Relative Intensity
57.07072	0.5
58.17393	0.5
59.81423	0.5
69.07057	3.2
75.17494	0.5
81.07060	0.5
83.10595	0.5
91.05444	1.2
93.07015	0.6
95.08585	3.1
109.10164	0.9
119.04951	3.9
123.04402	0.8
131.08566	1.2
135.08015	0.9
137.05974	38.3
144.61584	0.5
145.06453	2.0
145.10103	0.5
151.07523	8.3
159.08043	2.5
163.07512	2.9
173.09650	0.8
177.09117	2.3
197.13152	1.7
203.31206	0.6
215.14284	2.1
233.15350	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.05523	1.5
57.07073	1.4
58.56047	1.2
67.05488	5.5
67.43468	1.3
69.07043	2.9
73.87530	1.2
81.07072	15.2
83.08613	1.9
91.05445	3.0
93.07018	6.5
95.08612	20.3
105.07028	12.2
105.07632	1.4
107.08592	7.8
109.06477	2.4
109.10165	16.6
119.08569	10.7
120.03024	1.3
121.10135	3.2
123.08030	6.1
123.11697	8.0
125.06001	1.9
131.08513	7.0
133.10117	14.5
135.08017	1.9
135.11652	1.6
137.05972	6.1
139.07558	3.1
145.10118	10.4
147.11636	9.1
149.09612	2.4
151.07529	15.5
153.09074	4.9
156.22591	1.5
159.07910	1.7
159.11610	2.5
163.07500	6.6
165.09132	1.7
173.09615	3.0
177.09113	19.1
187.14806	14.6
189.16415	1.6
191.10663	6.3
205.15826	2.8
215.14285	15.1
218.10851	2.0
233.13216	8.9
233.15332	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
55.05515	5.8
55.40981	1.2
55.99984	1.3
57.07081	2.0
66.03488	1.5
67.05500	15.2
69.07052	5.5
71.04973	2.5
75.91235	1.4
79.05486	27.7
81.07063	19.5
83.08613	2.8
84.84933	1.4
85.06522	3.0
91.05460	10.1
93.07029	38.4
95.08590	17.2
97.06516	3.4
99.08063	1.9
105.07010	10.0
105.41951	1.3
107.08592	28.1
109.10139	6.9
111.08064	3.6
111.50071	1.6
117.07005	3.0
119.08530	10.4
121.10136	29.3
123.08055	1.9
123.11674	5.9
131.08546	14.8
133.10118	21.0
135.11685	45.8
137.09572	6.4
145.10121	19.0
147.11681	12.3
149.09610	2.0
149.13263	24.2
151.11087	2.1
156.81874	1.4
159.11659	15.3
161.13220	3.4
163.11288	1.6
173.13226	14.8
175.14912	1.5
187.14783	5.9
189.00052	1.5
189.16364	1.8
215.17926	61.3
233.13568	3.8
233.15335	5.2
233.18977	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	234.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27959	0.4
60.80170	0.4
72.04514	100.0
74.06095	1.1
89.04584	0.4
119.04942	1.1
134.09650	6.8
153.57341	0.5
192.10199	13.5
219.11816	0.7
234.13936	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	234.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18722	0.4
52.56931	0.4
59.15615	0.4
71.69505	0.4
72.04515	100.0
73.37935	0.4
74.06080	1.2
75.58029	0.5
83.83330	0.5
85.48970	0.4
91.05482	0.7
116.37706	0.6
134.09645	7.8
137.27666	0.5
171.47925	0.5
184.18579	0.5
192.10191	12.7
192.11755	0.7
193.31790	0.5
219.11737	2.4
234.14067	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	234.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12226	0.5
59.75436	0.5
65.17729	0.5
65.66305	0.5
68.05032	6.1
69.03409	0.5
70.06574	0.9
80.05003	1.1
81.07050	2.4
83.06110	4.0
85.91460	0.5
87.81400	0.6
93.05750	0.7
95.06087	100.0
96.08128	25.4
98.86362	0.6
99.08090	3.5
108.08115	34.9
131.04935	3.3
135.09238	0.6
136.06172	25.7
146.09637	9.1
150.05489	1.3
153.53877	0.6
161.10670	0.9
162.10297	2.5
163.12325	2.3
173.10753	2.7
176.07169	0.6
188.11864	0.9
190.13387	90.6
193.04915	1.0
215.27849	0.6
216.12454	0.8
234.07664	3.0
234.13704	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91047	0.3
55.05517	0.5
57.03437	1.4
81.07050	3.5
85.08296	0.4
104.59525	0.4
127.02847	0.3
127.62638	0.3
132.80251	0.4
134.85812	0.3
136.06178	100.0
137.04578	0.4
137.05913	0.4
141.41753	0.4
190.10817	0.8
234.13469	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.2
69.01499	0.5
69.07063	11.5
70.06573	0.7
71.04985	1.9
71.46893	0.5
82.06571	0.8
99.08091	100.0
105.00673	0.5
107.04951	5.9
117.14346	0.5
128.07056	1.8
136.06198	4.0
156.06523	0.5
174.07664	2.4
177.94177	0.5
187.74466	0.4
202.10901	5.1
230.88162	0.5
234.13554	41.2
247.54898	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	234.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96339	0.8
60.00870	0.9
62.80656	0.8
71.08634	40.1
86.88958	0.9
91.05472	14.6
99.08099	20.4
118.06534	55.0
119.04933	36.0
128.98595	1.2
131.01686	0.9
136.07578	100.0
162.07991	0.8
204.09076	1.3
219.08037	2.1
219.11649	7.1
234.10146	3.5
234.13666	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	234.1488
Annotation	Thalictroidine
Peak:m/z	Relative Intensity
59.78815	0.8
71.08630	41.3
72.04518	21.1
91.05483	17.8
99.08094	16.8
102.39656	0.9
118.06541	59.7
119.04939	35.9
119.05767	0.9
119.06820	1.0
134.09576	1.0
136.07578	100.0
140.06468	1.0
192.10246	1.5
219.08089	1.0
219.11674	7.2
232.99931	0.9
234.10318	1.4
234.14230	11.6
234.22327	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	234.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
54.71860	0.6
55.40088	0.5
63.43637	0.5
71.08630	36.4
81.78598	0.6
82.59091	0.5
91.05472	16.4
99.08088	19.5
110.97601	0.6
116.10689	0.7
118.06532	55.0
119.04932	33.7
127.21165	0.6
128.98582	0.9
136.07570	100.0
146.99599	0.6
154.42935	0.6
182.49944	0.5
189.42702	0.6
219.08037	1.3
219.11369	0.6
233.09503	0.7
234.08191	0.5
234.10313	5.2
234.15057	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	234.1853
Annotation	Tebutam
Peak:m/z	Relative Intensity
58.79118	1.0
69.07056	1.1
70.81359	1.2
71.08619	2.0
95.08595	2.4
96.04494	64.0
107.08005	1.1
110.97545	1.2
118.06561	1.5
119.04972	1.8
128.98616	1.3
136.07549	7.4
150.07349	0.9
152.10704	2.3
219.11623	1.4
234.18524	100.0
234.22232	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	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59294	0.5
53.77084	0.6
56.05032	8.0
57.07076	5.5
58.06610	5.7
63.63557	0.7
65.25920	0.7
68.05017	0.8
70.15562	0.5
71.08628	6.3
74.06078	11.8
76.58369	0.7
77.41251	0.7
84.53767	0.7
85.71341	0.7
86.05984	0.7
88.07628	10.1
91.02930	0.6
92.17796	0.7
92.91841	0.7
104.07084	0.8
118.08636	5.6
120.37682	0.6
122.08144	8.9
146.62769	0.7
186.18513	72.4
216.19563	1.6
234.20616	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	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	8.4
57.07062	4.5
58.06610	6.1
60.04522	1.1
60.27465	0.5
71.08617	4.6
74.06084	9.9
88.06689	0.7
88.07638	8.1
118.08633	4.0
122.08154	8.1
177.34473	0.9
186.18512	63.4
188.15189	1.2
216.19499	1.2
220.87308	0.8
234.20619	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	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	7.6
57.07076	5.0
57.78909	0.6
58.06608	6.6
60.04528	0.8
69.07061	0.6
71.08627	4.5
74.06084	9.6
86.06065	2.1
88.07626	9.5
104.07110	0.6
118.08661	6.2
120.55155	0.6
122.08122	10.3
160.12015	0.6
167.07095	0.5
186.18524	63.6
216.19525	1.4
225.13837	0.6
234.20624	100.0
249.07014	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	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04803	0.6
56.05040	8.3
57.07082	5.9
58.06609	6.3
60.04517	1.1
60.35371	0.5
62.57685	0.5
68.05034	0.6
71.08624	3.4
74.06085	11.6
86.06086	0.9
88.07639	11.7
118.08656	5.0
122.08139	10.5
124.81046	0.6
132.76167	0.6
186.18526	71.1
216.19530	2.8
234.15703	2.9
234.20631	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	235.06
Annotation	ANHYDROBRAZILIC ACID
Peak:m/z	Relative Intensity
74.11254	0.5
77.95019	0.4
95.08582	0.9
103.35120	0.5
116.30887	0.6
119.08625	0.6
123.62873	0.5
129.07034	0.5
133.10080	0.7
136.75362	0.5
139.84654	0.6
151.03934	0.8
161.05954	2.4
175.11157	0.9
189.05461	23.2
189.09042	0.9
192.04178	1.1
205.04866	3.6
206.05750	7.3
207.06567	1.1
217.04945	11.6
217.15840	0.6
235.05995	100.0
235.16936	3.2
256.36975	0.5
256.69446	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	235.06
Annotation	HOHPDA
Peak:m/z	Relative Intensity
52.29841	0.8
54.45074	0.6
55.01875	9.2
55.73654	0.7
57.19501	0.8
59.63091	0.7
71.01365	1.6
90.03661	0.8
90.93424	0.9
91.05482	1.6
97.44920	1.0
105.07037	11.1
107.04934	1.9
115.05460	1.8
119.04916	5.7
121.02846	1.5
123.00759	6.1
131.04939	3.4
133.06474	25.2
135.04369	3.1
143.04933	0.9
147.04422	12.4
161.05960	26.3
163.03770	1.0
171.04372	18.8
171.05641	1.3
175.03885	5.9
189.05458	70.6
200.04665	1.3
217.04944	99.2
235.05989	100.0
253.20111	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	235.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07378	0.5
66.28385	0.6
74.09710	1.6
75.10029	3.9
82.25884	0.6
82.99827	1.4
98.97564	4.2
101.00881	19.9
104.10709	1.1
113.00877	0.7
115.02444	1.4
118.08653	37.6
118.11497	1.1
118.12299	29.3
119.01098	1.2
119.01911	19.2
119.04246	0.7
119.92527	4.0
121.67132	0.7
127.02396	3.5
133.03462	4.4
139.02402	11.9
143.01903	14.8
145.03452	5.5
157.02214	1.5
157.03467	40.8
161.02965	18.2
172.11783	0.7
175.04494	13.1
187.04501	1.6
193.05580	11.3
211.06619	4.0
217.05714	24.7
235.06612	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	235.0966
Annotation	GTRI-02
Peak:m/z	Relative Intensity
51.14927	1.6
57.07064	2.4
65.36424	1.6
69.07014	1.8
79.05437	1.7
81.07038	2.8
91.05448	2.7
93.07033	3.1
95.08548	4.1
104.30523	1.7
105.07011	4.3
107.08572	4.6
109.06521	2.0
109.10117	2.3
115.05495	1.8
117.06988	4.4
119.08537	3.0
121.10116	2.8
123.11702	2.1
128.06201	3.7
129.07021	30.3
131.04840	10.3
131.08527	13.0
133.10109	4.1
137.05981	41.0
145.06496	16.2
147.04388	4.0
147.07991	3.0
147.11656	4.0
149.09593	2.2
157.06485	70.3
159.08003	8.3
160.05011	2.7
161.05951	3.3
161.09601	3.0
161.13216	2.5
163.07452	11.2
173.05972	3.7
173.13069	2.5
174.06758	23.6
175.07532	65.6
175.11107	3.8
176.08167	2.6
177.09038	8.7
177.12672	3.2
179.07037	2.2
181.05002	20.3
185.06015	16.7
186.06656	9.8
189.05389	8.9
189.09090	61.3
189.12694	2.5
189.16220	2.3
190.06221	19.5
191.06941	10.6
199.07446	8.8
202.06276	23.6
205.06779	3.0
205.08594	67.3
207.10138	2.2
217.08582	100.0
217.15817	4.5
235.02303	3.6
235.06079	14.9
235.09555	98.8
235.13112	6.6
235.15007	3.5
235.16934	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
52.85398	0.2
55.57487	0.2
65.06845	0.2
65.08368	0.2
65.38716	0.2
69.07027	0.3
72.73615	0.2
81.07037	0.2
92.18523	0.4
93.07030	0.3
95.08577	0.3
105.07056	0.3
107.08598	0.4
109.06490	0.2
119.08596	0.5
121.06491	0.3
126.04812	0.2
133.06436	0.4
133.10109	0.3
135.08136	0.3
147.08022	0.5
147.11682	0.4
151.03905	0.3
157.10052	0.2
161.09599	0.3
170.61212	0.2
175.07553	0.3
175.11142	0.5
177.05432	0.3
179.07166	0.4
189.12726	0.3
190.06198	0.4
191.07021	4.5
192.09384	0.3
205.04964	0.4
207.11688	0.4
217.12207	0.4
217.15828	0.4
219.06543	1.2
219.29404	0.3
220.07297	32.3
235.09627	100.0
235.13400	2.6
235.59691	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	235.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03388	0.7
83.02771	0.5
88.24660	0.6
91.82861	0.6
93.07008	0.8
99.14844	0.6
105.07022	2.6
107.04936	6.6
110.80184	0.5
119.08540	0.7
129.06978	0.8
133.10150	1.1
143.08562	1.1
153.06987	3.6
153.23779	0.6
156.75104	0.6
165.06966	3.0
166.07611	0.6
178.07771	6.9
179.08536	10.8
181.10094	0.9
189.16356	0.9
190.61372	0.6
191.08508	7.2
192.09323	27.4
193.10103	15.5
194.10815	0.6
195.11852	0.6
198.80528	0.6
202.07742	4.2
205.06450	2.9
205.10127	2.6
206.10905	4.2
207.08223	0.9
207.11674	27.7
217.10110	7.2
217.15791	0.8
219.08051	2.5
220.08833	30.6
220.12329	11.4
235.11166	100.0
235.14726	29.6
235.16901	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	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.00651	2.2
51.62416	2.1
52.12209	2.3
55.61191	2.5
55.68348	2.2
69.03410	6.5
69.07072	5.6
69.32635	2.4
74.70695	3.4
79.05492	3.2
81.07047	11.5
83.04977	38.2
91.05480	5.1
93.07041	15.8
105.07018	18.0
107.08604	26.1
109.06514	18.4
119.08599	26.1
121.06510	12.8
123.08064	13.1
125.05958	14.9
128.47673	2.5
131.08563	3.4
133.06491	6.2
133.10153	11.4
134.30750	3.0
135.08041	13.8
136.08865	16.5
137.05971	3.9
137.09613	15.0
145.10078	3.0
147.08009	24.7
147.11697	30.8
149.09668	4.4
151.07538	10.0
156.09323	6.1
159.07916	2.8
161.05978	11.7
161.09621	11.1
161.13193	19.1
171.11668	17.4
173.13249	3.8
174.10408	4.4
175.07542	20.5
175.11140	48.4
179.06935	5.6
188.08327	4.5
189.09180	5.1
189.12732	59.0
191.14310	4.8
192.09358	4.5
199.11278	4.1
202.09845	11.0
205.10071	3.4
207.11681	15.8
207.13725	4.9
217.12204	33.3
220.08833	4.3
220.12375	17.5
235.11073	37.9
235.12936	100.0
235.15199	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	235.1328
Annotation	alpha-Phenylcyclohexylglycolic acid
Peak:m/z	Relative Intensity
50.37287	3.0
54.99901	3.1
55.05503	3.8
67.05494	4.2
69.03425	6.0
69.07070	7.0
81.07064	7.4
83.04984	42.5
91.05477	13.4
91.56464	3.8
93.07033	19.3
95.08572	5.1
99.04440	4.2
105.07034	26.2
107.08579	32.5
109.06500	18.6
109.10118	3.7
119.08574	39.4
121.06519	7.3
121.10130	6.5
123.08068	6.6
125.05960	5.9
131.08522	6.9
133.06474	15.2
133.10092	19.6
133.76695	4.0
135.08058	16.8
136.08821	15.2
137.09654	26.2
137.80418	3.3
138.10402	3.5
143.08493	7.1
145.10120	6.6
147.08043	25.9
147.11665	45.6
151.07538	6.9
156.09370	4.1
161.05974	17.9
161.09624	12.8
161.13274	33.8
171.11678	25.2
173.13292	5.3
174.10359	6.4
175.05231	3.7
175.07506	20.8
175.11189	57.6
179.07019	3.9
188.08470	5.9
189.12735	62.7
202.09959	15.3
207.11711	5.7
217.12115	34.5
220.12473	22.8
235.11072	17.6
235.13011	100.0
235.15176	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
55.05486	4.0
62.94754	1.7
67.05467	10.4
69.03403	4.1
69.07072	13.4
70.52790	1.9
71.04948	3.9
71.98040	2.0
76.96632	1.7
79.05443	8.1
81.03336	1.8
81.07049	18.8
83.04974	29.1
83.08576	2.1
88.82785	1.7
91.05419	10.6
93.07021	19.2
95.04897	3.3
95.08612	15.1
97.02810	2.4
97.06502	6.1
99.04407	4.5
105.07025	24.8
107.08596	29.8
109.06516	19.5
109.10117	7.4
117.06942	2.9
119.08564	34.4
121.06403	12.5
121.10071	12.1
123.07973	10.2
123.11675	2.5
125.05972	13.5
131.08575	5.3
133.06508	14.7
133.10107	22.8
135.07953	12.6
135.11638	4.5
136.08841	17.7
137.09572	14.0
143.08464	8.6
145.10089	7.5
147.08047	14.2
147.11681	30.7
149.09528	7.4
151.03743	2.6
151.07428	11.1
156.09293	4.6
157.10054	4.3
158.10803	2.4
159.07916	2.3
159.11555	2.7
161.05867	7.9
161.09528	11.4
161.13246	20.8
171.11688	18.3
173.13167	7.6
174.10252	8.8
175.07550	19.2
175.11151	37.3
175.14714	3.8
176.60922	2.1
177.12654	1.8
179.06969	3.8
179.10486	2.5
188.08220	3.9
189.08942	7.3
189.12755	52.1
191.14198	3.1
192.09251	4.0
193.08461	3.7
193.10048	3.8
199.11011	4.4
199.14706	2.6
202.09746	10.6
207.11574	7.8
217.12189	30.9
217.15735	4.0
220.08675	4.3
220.12329	9.4
235.11005	21.3
235.13109	100.0
235.16672	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	235.1327
Annotation	alpha-Phenylcyclohexylglycolic acid
Peak:m/z	Relative Intensity
55.05505	2.6
67.05484	5.4
69.03411	3.3
69.07043	2.9
71.04965	3.3
79.05476	7.4
81.07068	17.2
83.01344	1.6
83.04986	34.3
83.08604	1.7
85.06536	1.4
91.05456	7.5
93.07040	14.4
95.04959	2.3
95.08613	10.0
97.02826	1.5
97.06490	2.4
99.04422	5.9
105.06464	1.3
105.07044	19.8
107.08587	28.2
109.06506	17.4
109.10117	3.4
111.04394	1.8
119.08564	29.4
121.06477	8.0
121.10114	8.9
123.08075	12.4
125.05939	9.9
125.09576	1.7
129.06989	2.6
131.08527	8.7
133.06493	14.8
133.10107	20.4
135.08037	10.1
135.11687	6.1
136.08795	13.5
137.05922	3.3
137.09575	9.4
138.10374	3.5
143.08521	3.1
145.10080	3.4
147.08047	17.3
147.11685	31.5
149.09561	2.3
151.07530	13.7
156.09293	3.0
157.10146	5.8
159.08002	2.0
160.08788	3.2
161.05946	8.7
161.09564	9.9
161.13217	19.3
163.07454	1.7
171.11687	13.2
173.09631	1.6
173.13237	6.6
174.10362	7.0
175.07491	14.6
175.11159	38.3
175.14705	12.3
179.06976	7.8
187.18855	8.3
188.08296	6.5
189.09105	6.2
189.12720	50.8
191.14244	3.3
199.11165	5.5
202.09779	10.8
217.12236	29.4
235.11247	5.3
235.13251	100.0
235.16910	8.0
235.20949	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	235.1695
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.39738	2.3
52.79687	2.3
52.90685	2.3
55.05516	5.3
57.07060	3.6
64.62501	2.7
67.05498	21.4
68.26867	2.4
69.07068	3.9
79.05490	26.8
81.07058	13.5
91.05456	27.1
93.06444	3.4
93.07042	100.0
95.04957	3.9
95.08600	15.5
105.07043	12.8
107.08580	20.9
119.08607	12.3
121.10157	38.2
121.23462	2.9
123.08051	3.3
125.20041	2.6
126.84780	3.3
131.08530	4.8
133.10146	15.6
135.11710	6.2
144.86247	2.8
145.10268	3.3
147.11644	3.9
161.05995	3.1
175.14804	4.4
189.16391	4.3
192.09377	11.5
193.10156	3.7
199.14796	5.6
207.11713	11.7
208.02794	2.8
217.15906	10.2
220.08804	4.5
220.12433	3.6
221.13055	3.2
235.11322	27.3
235.14799	17.1
235.16968	52.6
235.20497	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	235.1691
Annotation	(3R,4R,6S)-3,4-Epoxybisabola-7(14),10-dien-2-one
Peak:m/z	Relative Intensity
55.04818	1.0
55.05503	5.8
57.07076	12.7
58.37151	1.0
67.05498	2.9
69.07063	36.6
69.61988	1.3
79.05475	8.3
79.79316	1.2
81.07047	6.7
82.46529	1.1
83.04957	1.3
83.08617	9.8
91.05454	7.7
93.07028	21.1
95.08585	12.1
97.10173	11.7
105.07031	2.8
106.25918	1.4
107.08594	39.5
109.10155	11.5
111.04414	10.1
111.08081	4.8
111.11705	1.6
119.08562	10.2
120.43282	1.2
121.06424	1.5
121.10120	6.1
123.04411	2.9
123.08009	1.5
123.11700	26.1
125.05969	4.3
125.09612	7.2
125.13248	2.6
133.10112	14.8
135.08032	1.6
137.05957	2.7
139.07526	10.9
147.08037	5.7
147.11679	5.5
149.13237	18.0
151.07545	5.1
153.09105	8.1
157.89287	1.3
161.09599	5.6
165.09120	8.0
175.11162	1.6
179.10677	6.1
189.16364	17.6
193.10091	2.3
199.14946	1.5
207.11729	1.8
217.15817	9.2
220.12465	5.9
235.11258	2.2
235.14757	29.0
235.16936	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	235.1692
Annotation	CHEBI:66502
Peak:m/z	Relative Intensity
50.05948	0.7
55.05503	1.1
57.03430	0.9
67.05487	4.3
69.07051	3.9
71.04990	1.0
72.43467	0.7
73.21349	0.7
79.05477	1.5
81.02968	1.3
81.03413	22.0
81.07065	7.2
83.08582	1.2
85.06527	1.3
91.05440	1.0
93.07041	5.5
94.02929	0.7
95.04958	12.7
95.08590	9.8
97.06532	1.4
105.07043	7.5
105.15633	0.8
107.08591	9.0
109.06514	9.2
109.10130	4.7
111.08052	1.3
117.06981	0.9
119.08598	9.3
121.06498	4.9
121.10136	7.0
123.08047	1.0
123.11696	9.3
129.06932	1.0
131.08525	1.8
133.06508	0.8
133.10147	9.9
134.31863	0.7
135.08028	1.7
135.11679	8.9
137.09569	1.1
145.10094	5.3
147.08066	12.3
147.11670	8.0
149.09587	3.8
149.13243	0.9
157.10107	6.7
159.11646	5.1
161.09596	6.9
161.13264	7.5
163.11185	1.6
165.06955	1.2
166.47913	0.9
171.11649	1.3
173.13312	2.7
175.11151	4.3
175.14767	0.9
177.12782	0.9
179.08479	1.1
189.12752	1.0
189.16377	9.1
191.08543	1.2
192.09303	9.5
193.10141	1.7
199.14778	10.5
205.06570	1.3
207.11685	12.3
217.10161	1.1
217.15837	20.0
220.08809	8.1
220.12361	1.5
235.08794	1.2
235.11194	39.7
235.14923	5.0
235.16898	100.0
235.20760	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	235.1693
Annotation	Confertifoline
Peak:m/z	Relative Intensity
50.14901	0.6
62.92866	0.5
66.22143	0.6
69.07085	5.1
70.59833	0.6
81.07068	1.1
83.08618	1.2
93.07048	1.0
95.08591	3.6
105.07021	0.7
107.08575	3.6
109.10155	2.6
119.08574	7.2
121.10120	3.6
130.18440	0.7
133.10135	3.1
135.11748	0.8
139.07553	0.8
147.11670	8.0
149.13268	1.2
153.09045	0.7
161.13293	2.2
179.10727	0.7
189.14771	1.0
189.16350	10.7
209.66823	0.6
235.16925	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	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.53613	4.5
55.05510	9.3
57.07082	5.4
67.05500	40.7
69.07054	28.7
79.05477	9.6
81.07054	21.4
82.13937	4.8
83.04967	34.5
83.08621	7.1
85.01245	5.1
88.05729	4.7
91.05432	10.1
93.07032	32.7
95.08582	50.0
105.07030	36.8
107.08585	53.2
109.10145	34.2
111.04439	42.6
119.08544	62.2
121.06508	8.4
121.10152	29.6
123.11710	23.2
131.08583	8.0
133.10100	53.9
135.11639	7.9
137.09613	9.0
139.07515	6.6
143.08607	7.7
143.32146	6.1
147.08031	21.4
147.11696	13.0
149.09641	5.2
149.13313	9.7
157.10043	9.2
161.09590	11.9
161.13268	12.2
165.09119	7.6
171.11696	6.6
175.11200	5.3
175.14760	10.1
177.12724	5.8
189.16338	49.2
193.09831	6.6
199.14868	10.9
207.11668	8.1
217.15875	29.8
217.19615	6.6
220.08752	7.9
220.12471	13.1
235.11147	24.8
235.14775	32.0
235.16824	100.0
235.20576	10.0
235.22676	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	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
55.05506	9.6
57.03444	3.2
57.07077	18.5
57.61998	1.8
66.55508	2.0
66.86730	2.2
67.05507	70.0
69.07072	17.7
71.04989	2.3
71.08634	11.1
79.05500	16.7
81.07061	100.0
83.05021	2.4
83.08615	11.4
85.06543	12.7
85.10206	2.8
91.05471	19.1
93.07043	21.6
95.08604	87.5
97.06512	7.4
97.10168	3.8
99.08082	11.0
105.07027	14.6
107.08597	11.8
109.10156	37.7
109.10841	3.5
111.08064	4.2
113.09645	8.8
119.08564	21.0
121.10122	14.5
123.08069	3.6
123.11696	26.6
133.10130	31.3
135.11691	25.5
137.09668	2.5
137.13251	25.2
139.11140	2.3
147.11708	25.1
149.13248	8.4
151.11205	2.3
151.14827	11.0
161.13272	17.3
175.14856	9.7
192.09346	4.5
193.10172	2.3
206.25784	2.2
207.11607	3.4
217.19510	60.7
220.08791	3.1
220.12505	13.7
228.63350	2.4
235.11295	21.1
235.15031	17.0
235.16920	8.5
235.20551	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1281
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
52.06705	0.5
56.90129	0.6
77.49511	0.6
88.16278	0.7
107.07327	2.9
108.08132	1.5
109.98945	1.0
136.07603	1.0
139.06305	4.4
152.07066	6.3
153.97884	2.5
162.09151	5.8
163.09949	8.6
164.10715	16.6
190.12276	4.3
192.13829	54.3
218.08833	0.9
218.11926	0.8
220.05000	0.6
236.12810	100.0
236.16696	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	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19412	0.3
52.15226	0.3
56.85332	0.3
56.96561	0.4
56.99249	0.3
57.03440	3.7
58.06601	8.7
59.07380	3.8
60.04543	0.3
60.08162	5.3
68.79156	0.3
71.04992	0.7
73.02899	0.4
74.28486	0.3
75.04494	2.7
77.42812	0.4
81.03410	2.9
82.01783	0.4
85.02887	2.2
86.06112	0.4
87.04472	4.9
93.05473	0.4
97.02867	0.5
98.97575	0.5
100.05182	0.4
100.48412	0.4
103.53919	0.4
105.05489	0.7
109.02868	2.5
131.07014	2.3
144.10191	0.5
154.59425	0.5
178.04897	0.5
218.07156	2.2
236.14911	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	236.1645
Annotation	Huperzine W
Peak:m/z	Relative Intensity
52.65551	2.1
55.05509	4.6
57.07076	18.0
69.36393	2.6
72.77452	2.4
81.07049	5.6
83.08617	14.4
91.05461	3.1
93.07025	6.6
95.08564	2.7
96.04490	2.7
105.20540	2.9
107.08575	3.4
109.98927	3.7
120.08105	11.8
129.16966	2.9
130.96379	6.4
131.10416	3.3
136.07578	4.4
138.09207	3.2
148.07607	3.5
149.11998	3.8
153.97961	8.0
162.09134	17.5
163.09927	38.0
166.08659	20.3
171.98956	3.5
176.14322	91.5
191.16644	37.5
204.13879	11.7
214.15915	2.6
219.16116	9.8
236.16521	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	236.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05571	0.4
62.46436	0.4
63.74472	0.5
69.07055	1.0
70.07387	0.7
75.22579	0.5
81.07030	0.5
84.08914	0.6
90.42020	0.5
93.07044	0.6
95.08591	3.2
95.16518	0.5
96.08921	2.0
103.04443	0.6
105.06987	0.6
106.07322	0.5
107.08583	1.9
108.08931	2.5
109.10136	1.2
110.10491	0.7
113.02413	0.5
119.08536	2.7
120.08900	4.3
121.10098	2.3
122.10451	2.7
133.10133	1.1
134.10419	2.4
136.11989	0.8
147.11687	1.8
148.11992	3.0
154.09366	0.7
162.13605	0.9
166.09401	0.5
190.16708	11.6
218.16005	0.6
236.17249	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	237.0758
Annotation	FRAXIDIN METHYL ETHER
Peak:m/z	Relative Intensity
51.21143	0.2
55.64513	0.1
56.51821	0.1
59.12164	0.1
67.05503	0.2
81.03403	0.3
81.07053	0.2
93.06967	0.2
94.14768	0.2
95.08603	0.3
100.61691	0.2
100.93961	0.2
104.22162	0.2
105.07020	0.3
107.08601	0.3
119.08558	0.5
121.10165	0.2
123.00826	0.3
123.11729	0.2
135.11780	0.2
145.06471	0.2
154.97633	0.2
159.11592	0.2
161.13350	0.2
163.11150	0.3
165.06810	0.2
166.07704	0.3
167.08492	0.3
175.67781	0.2
177.05481	0.3
177.12697	0.2
179.08568	0.4
181.10080	1.0
191.06992	0.4
194.10930	0.7
195.11664	1.2
201.16356	0.2
204.09393	0.2
205.04973	1.0
207.02963	0.4
207.11642	0.2
209.13220	1.1
219.11766	0.3
222.05225	16.7
222.10336	1.0
222.13901	0.4
237.07565	100.0
237.16632	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	237.087
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01879	0.4
56.96572	1.6
56.96806	0.2
58.32407	0.2
59.05005	0.3
61.02919	1.2
67.61295	0.2
68.99780	0.2
70.98108	0.4
71.01354	11.0
71.04977	0.2
73.02918	0.4
74.02441	6.3
75.04491	2.2
79.89357	0.2
81.03409	2.8
84.08114	0.3
85.02900	1.1
87.04440	0.4
92.18575	0.3
97.02902	0.3
98.97579	0.9
99.04458	0.3
101.02384	0.9
103.03950	4.9
107.03278	0.2
109.02886	2.2
110.07162	0.4
111.00814	0.2
113.02349	1.0
116.03420	0.3
117.01839	1.5
118.06518	0.3
123.04441	0.2
127.00279	0.8
128.04962	1.2
129.01822	0.6
130.06505	0.5
131.03406	9.5
132.04454	0.5
133.04970	1.1
141.01837	1.6
143.03403	0.4
145.01312	0.4
145.04976	1.9
145.06609	0.2
146.06006	100.0
148.03896	0.4
149.05920	0.3
157.04962	2.6
158.05997	1.1
159.02882	14.6
163.06047	0.3
172.97565	1.0
173.04527	0.4
173.07092	0.8
175.08702	0.5
190.98624	2.1
191.05481	0.9
191.08138	1.0
192.06564	0.5
219.01767	1.0
219.05032	1.4
219.07677	2.5
237.02802	0.6
237.08734	5.8
237.12933	0.3
237.15291	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	237.1122
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
50.67949	4.4
55.05511	6.3
59.05003	37.9
64.31355	4.9
65.12579	4.6
71.56858	4.7
78.87612	6.8
81.03404	10.9
81.07060	11.3
82.99619	5.1
85.02914	58.7
85.16158	5.0
86.90968	5.3
91.05487	7.3
93.07030	21.2
93.19120	5.0
93.35432	5.8
95.08605	24.0
97.06513	7.2
98.97567	36.0
103.05433	8.2
105.07055	10.2
107.04956	5.7
107.08580	27.7
109.02850	7.9
109.06439	8.0
120.34158	5.6
121.06483	14.0
121.10160	8.9
131.04912	33.7
131.08571	7.3
131.96036	6.7
133.06422	6.9
133.10106	13.6
135.04372	7.6
135.08063	36.7
137.05975	25.7
145.10117	25.4
149.09615	36.4
153.09106	9.9
154.97661	6.9
157.10066	7.3
159.08014	23.6
161.05956	20.8
163.07542	53.1
173.09605	37.1
173.13329	9.1
177.09105	53.1
181.10141	9.8
191.06996	21.3
191.10664	21.6
195.11656	23.5
201.09131	9.3
201.12846	5.6
202.25539	5.5
209.11417	6.5
209.13339	11.0
219.10178	100.0
219.13762	9.3
222.14061	8.7
237.03922	26.6
237.07422	43.2
237.11047	95.7
237.16571	56.4
237.18529	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	237.1233
Annotation	Phe Ala
Peak:m/z	Relative Intensity
58.73000	0.1
59.25909	0.2
67.05484	0.2
69.03048	0.2
72.91260	0.2
74.02428	2.2
81.03411	1.0
81.07050	0.2
91.05492	0.3
93.07040	0.4
103.05490	1.6
105.07024	2.7
109.02881	0.4
118.06551	0.7
120.08096	100.0
131.04904	3.9
133.40953	0.2
134.09665	0.7
137.05971	0.3
149.09595	0.2
151.03900	1.2
164.07042	6.2
188.06026	0.2
191.11821	0.5
192.06448	0.3
209.06400	0.4
214.03851	0.2
237.05730	0.2
237.09312	0.4
237.12360	5.0
237.16046	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	237.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32370	0.5
51.92581	0.5
53.55436	0.4
56.01403	1.1
56.96570	1.0
63.03638	0.5
70.02953	23.5
72.04523	2.7
74.02448	4.8
79.05482	2.5
81.03410	2.7
91.05405	0.7
98.02414	100.0
98.97571	3.5
103.05459	2.9
105.07030	98.8
105.17048	0.5
106.06553	31.1
109.02890	2.3
114.05523	3.7
116.03447	87.1
116.98658	0.7
118.06551	4.5
124.99081	0.6
131.04924	42.6
143.00165	3.5
158.99669	2.5
160.07552	2.0
163.07527	3.3
177.00682	0.8
178.08617	25.0
202.08643	1.1
203.76140	0.6
219.01775	1.2
219.08249	0.7
220.09691	10.6
237.02806	20.5
237.08897	2.4
237.12531	6.0
255.03825	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	237.1273
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
57.12378	0.8
59.18900	0.9
62.86907	0.9
131.08496	1.1
165.06972	1.4
167.08519	2.2
179.08577	6.8
180.09309	1.5
181.10112	5.8
182.07315	1.1
193.10136	1.6
194.10898	7.3
195.08055	3.8
195.11726	1.8
196.08882	2.0
203.08546	1.3
204.09354	3.9
207.08012	3.9
208.08876	2.2
208.12451	1.2
209.09604	1.2
209.13220	6.9
219.11697	5.8
221.09685	1.4
221.48639	1.1
222.10352	22.0
237.12727	100.0
249.79645	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	237.1273
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
53.03938	0.5
58.36333	0.4
69.03428	0.8
81.03397	0.4
81.07056	0.5
92.18465	0.5
95.08606	0.7
105.03427	0.5
105.07022	0.7
123.11736	0.5
131.08522	0.6
131.96114	1.7
153.07010	1.0
155.08540	0.8
165.06998	3.0
166.07729	1.8
167.08580	4.8
168.09358	2.5
169.10165	0.5
178.07890	0.9
179.08539	7.0
180.09344	2.6
181.10104	18.3
189.06898	0.5
191.08530	0.8
192.09369	0.5
193.10158	2.5
194.10887	7.0
195.07941	0.7
195.11679	7.7
196.08879	0.5
203.08612	1.0
204.09390	7.6
207.08028	2.3
207.11621	1.0
208.08865	0.6
208.12335	0.5
209.09647	2.7
209.13248	17.4
211.29863	0.4
219.11723	7.3
221.09564	0.7
222.10387	14.9
222.13959	2.1
237.12744	100.0
237.16205	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	237.1274
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
57.03410	0.4
59.82277	0.4
69.03418	1.1
81.03391	0.6
91.05484	0.6
93.07037	0.7
103.05470	3.8
105.07024	0.9
107.04987	0.5
107.08543	0.6
116.31802	0.5
117.07018	2.8
129.07024	1.9
131.04912	14.8
131.08543	0.7
141.07028	1.1
145.06516	2.5
153.06976	0.6
155.08525	0.9
158.07191	0.5
163.07529	23.1
165.06981	3.6
166.07808	2.5
167.08539	6.5
168.09383	0.9
169.10081	0.8
178.07777	0.8
179.08534	8.1
180.09337	3.5
181.10109	14.5
181.11566	0.7
188.04028	0.5
191.08594	1.0
193.10144	4.3
194.10881	7.9
195.08061	2.5
195.11670	6.2
196.08864	1.0
203.08543	1.0
204.09348	6.6
207.08057	3.0
207.11694	1.1
208.08817	1.6
208.12413	0.6
209.09702	2.4
209.13245	12.7
219.11676	9.8
221.09549	0.6
222.10384	16.4
222.13902	0.9
237.12778	100.0
237.16147	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	237.1273
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
54.56488	0.5
60.45786	0.5
60.62762	0.5
66.34147	0.6
69.03394	0.8
75.65331	0.6
93.06989	0.6
99.08768	0.7
117.06992	3.9
129.07005	1.5
142.07721	0.6
145.06470	4.7
155.08577	0.8
165.06973	4.2
166.07733	1.2
167.08537	6.6
168.09355	2.2
178.07825	1.4
179.08542	9.8
180.09341	4.5
181.10083	14.0
193.10072	5.5
194.10902	9.2
195.08051	2.4
195.11656	3.2
196.08820	1.0
197.09717	0.7
203.08554	1.0
204.09319	10.1
207.07999	4.0
208.08826	0.7
209.09720	2.4
209.13226	11.6
219.11632	10.8
222.10382	17.7
223.44991	0.6
237.12721	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	237.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19384	0.6
62.39952	0.6
63.26524	0.6
63.32629	0.5
81.07044	1.6
84.51181	0.7
91.05480	1.3
92.17908	1.5
93.07053	1.1
95.08605	1.6
95.15337	0.7
105.07021	1.0
107.08601	3.0
109.10166	1.3
119.08569	1.3
121.10122	1.5
122.28566	0.7
123.11735	0.9
129.06984	1.1
131.08574	3.0
134.33748	0.8
134.49355	0.8
135.11688	0.7
143.08508	1.5
145.06422	0.8
145.10092	1.6
149.13245	0.9
149.22250	0.7
155.08633	1.1
157.10188	1.2
159.11671	1.5
165.06985	4.8
166.07800	1.1
167.08560	6.4
169.10106	1.0
179.08534	8.2
180.09305	4.2
181.10117	13.3
193.10194	4.8
194.07294	0.9
194.10901	10.7
195.08061	3.2
195.11705	12.2
196.08878	1.6
201.16313	1.1
204.09348	4.4
207.08089	2.9
207.11671	5.2
208.08827	3.4
208.12518	4.4
209.09633	4.5
209.13205	14.2
219.11639	5.9
221.09648	2.4
222.10403	22.2
222.13918	8.0
237.09346	6.8
237.12735	100.0
237.16284	24.7
245.47292	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.05482	1.0
67.05502	1.0
69.07066	1.4
81.07030	1.5
83.01321	0.9
92.17861	1.3
93.07017	1.5
95.08572	1.0
105.07008	1.0
107.08533	2.9
113.98597	0.6
114.21375	0.6
117.06989	0.7
119.08525	2.8
121.10097	1.4
125.09550	1.3
131.08522	4.1
131.96074	3.2
133.10074	1.1
135.08000	1.6
140.08200	0.8
144.09277	1.2
145.10101	1.3
149.97107	2.6
154.97701	1.6
159.11639	5.2
161.13214	0.9
163.11128	0.9
165.06972	0.7
165.09003	0.8
167.08447	1.0
169.08517	0.7
169.10007	0.8
172.98755	2.5
179.08487	1.4
180.09283	0.9
181.08615	2.2
181.10057	1.5
182.82602	0.7
193.08513	1.1
193.10045	1.0
194.10771	2.7
195.11693	6.1
207.11714	1.3
208.09149	1.1
208.10912	19.8
209.13228	5.5
219.11723	0.7
219.13570	0.7
222.10219	4.0
222.12225	1.3
222.13942	3.3
237.12633	18.9
237.14729	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05513	6.1
57.07069	1.9
57.13313	1.5
62.73777	1.3
63.02485	1.5
67.05521	5.9
69.03426	8.1
69.07079	15.7
71.04982	6.9
72.61102	1.3
76.05921	1.4
79.05480	3.0
81.07056	20.4
83.08621	2.8
91.05481	6.0
92.18469	1.6
93.06500	1.5
93.07030	15.9
95.08603	29.8
97.06509	2.2
97.10153	3.4
99.04449	1.7
105.07050	11.0
105.16534	1.4
107.04952	2.4
107.08587	20.3
109.06517	2.4
109.10164	21.3
111.08062	2.4
119.08585	10.2
121.10149	20.0
123.08057	7.4
123.11706	100.0
131.08542	6.0
133.10097	7.5
135.08028	6.0
135.11703	18.4
137.09587	5.9
137.13322	1.7
143.98143	1.5
145.10109	7.7
147.11717	3.8
149.09604	5.8
149.13269	6.4
159.11671	8.8
161.13237	3.3
163.11168	3.1
173.13303	2.3
175.14803	6.9
177.12711	1.9
177.16327	6.7
179.08493	1.8
181.10094	2.0
189.16446	2.7
191.17993	6.4
193.10019	2.3
194.10904	2.1
195.11688	6.6
201.16330	11.0
207.17339	3.6
209.13245	6.5
219.17458	20.1
222.10286	3.2
222.14066	2.9
237.09148	2.0
237.12804	17.2
237.16353	11.2
237.18434	38.6
244.22942	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.55135	1.6
53.61286	2.0
54.25056	1.6
55.05500	13.4
57.07068	8.5
67.05499	17.8
68.34953	1.5
69.07066	36.4
71.04976	4.8
77.72167	1.9
79.05480	15.8
81.03388	3.2
81.07053	64.7
83.04977	3.0
83.08610	5.0
85.06553	2.4
91.05453	12.2
93.06507	2.7
93.07043	47.2
95.08028	4.0
95.08598	80.3
97.06499	8.8
97.10131	8.5
99.08092	2.6
101.05997	2.5
105.07037	34.6
107.07861	2.3
107.08591	57.4
109.06505	11.6
109.10152	52.5
111.08047	9.8
114.29706	2.0
117.07020	10.6
119.08571	36.7
121.06470	2.4
121.10129	49.6
123.08075	7.9
123.11703	11.0
125.09610	4.3
131.08553	25.0
133.10127	32.3
135.07974	3.4
135.11682	39.8
137.09624	15.6
145.10117	47.8
147.11694	15.5
149.09604	3.5
149.13277	26.1
151.11171	4.6
153.12735	2.5
159.11667	34.6
161.13240	23.4
163.11166	16.0
163.14760	7.7
166.07849	2.1
173.13184	17.8
175.14793	36.6
177.16370	16.5
179.08594	2.3
181.09996	3.6
181.12212	10.1
189.16406	4.6
191.17924	13.5
194.10939	2.7
195.11601	4.7
201.16359	64.9
209.13263	4.0
219.11653	3.6
219.17422	59.3
222.10336	4.1
237.12788	39.9
237.16435	11.2
237.18478	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	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05502	5.6
56.10215	2.2
57.07089	4.2
59.04994	2.5
60.74539	2.4
61.02932	4.7
62.43677	2.2
67.05515	9.4
69.03410	4.0
69.07069	30.1
71.04984	3.9
74.62846	2.3
79.05473	5.5
81.03417	3.0
81.07072	38.1
83.04964	5.6
83.08064	2.3
83.08617	12.0
91.05479	4.1
92.17849	4.0
93.07055	26.5
95.04982	5.0
95.08607	67.5
97.06506	4.4
97.10158	6.5
98.79170	2.7
99.04480	2.7
100.04204	2.7
105.03365	10.2
105.07039	32.7
107.08591	54.0
109.10159	42.7
113.05982	3.1
117.07004	3.4
119.08567	42.1
121.06580	3.6
121.10138	51.8
123.08044	12.2
123.11703	88.5
131.08571	16.8
131.96121	3.5
133.10130	24.1
135.08095	3.7
135.11682	28.1
137.09666	5.6
137.13216	4.1
142.91719	3.4
145.10126	29.2
147.11667	11.5
149.09595	12.0
149.13228	16.3
159.11685	13.7
161.13252	19.1
163.11154	15.0
163.14812	3.3
166.07813	3.0
173.13287	5.3
175.14799	22.0
177.16386	98.2
181.10109	11.0
181.12070	3.3
189.16370	13.2
191.14336	3.5
191.17969	14.8
193.10081	3.6
194.10970	4.0
195.11775	20.9
201.16357	48.3
207.11711	10.8
208.12404	5.5
209.09634	2.9
209.13264	12.6
219.17422	55.9
222.10495	5.4
222.14079	15.3
230.61856	2.8
236.18222	3.0
237.08974	4.7
237.12785	48.2
237.16357	45.3
237.18526	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	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
50.11081	1.9
55.05508	10.9
64.07839	2.2
65.03966	2.7
67.05490	11.7
68.95574	2.5
69.06769	2.8
69.07073	35.1
71.04996	47.7
79.05491	4.3
81.07059	26.9
83.04976	4.8
83.08617	18.3
85.06556	4.1
91.05473	5.3
93.07036	14.8
95.04953	11.6
95.08600	59.8
97.06555	4.0
97.10170	12.6
99.04465	3.9
105.07038	20.8
107.08597	38.4
109.06547	3.8
109.10158	86.1
111.08103	4.1
113.05990	2.9
113.09628	3.0
119.08584	45.2
119.13473	3.0
121.10152	57.3
123.08053	14.8
123.11708	87.5
125.09605	2.7
131.08559	11.3
131.96185	2.7
133.10133	24.9
135.08115	19.6
135.11696	92.3
137.09648	11.4
145.10141	26.7
147.11673	30.2
149.09634	27.2
149.13272	16.1
151.11230	4.4
151.39806	2.6
159.11665	19.6
161.13234	27.2
163.11179	25.2
163.14825	14.9
167.08537	4.8
173.13249	4.2
175.14780	18.5
177.12738	12.1
177.16394	46.2
179.08498	3.8
181.10110	6.3
189.16354	10.7
191.17934	45.8
193.10217	5.4
194.10915	5.1
195.11699	23.3
201.16377	34.7
201.49931	2.4
207.11697	9.4
207.17448	5.7
208.12471	3.1
209.13277	15.1
219.11754	2.5
219.17435	63.9
219.19406	3.7
222.10417	12.9
222.14023	6.3
237.07468	4.7
237.12752	41.7
237.16348	45.4
237.18520	100.0
237.20972	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	238.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25072	0.6
61.69827	0.7
63.13559	0.5
70.95844	0.6
100.24026	0.7
101.39929	0.6
104.62516	0.7
105.64162	0.6
111.98494	2.8
118.33649	0.6
132.04433	1.5
132.95815	3.3
136.06177	1.0
146.09746	1.2
150.96887	1.5
155.97395	6.3
160.03911	11.2
173.98477	3.9
177.04190	72.2
186.27966	0.6
192.06543	87.1
213.33185	0.7
223.04718	14.6
238.07069	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	238.1071
Annotation	Funebral
Peak:m/z	Relative Intensity
57.03188	1.1
57.03444	18.6
63.29556	1.2
70.79805	1.0
70.95799	1.4
74.06079	75.1
74.81691	1.0
80.25503	1.0
91.05476	100.0
92.16159	1.1
103.05461	1.6
106.06558	9.0
108.90640	1.1
111.98473	1.8
118.06557	10.6
119.04932	39.0
132.95786	4.0
136.07578	16.5
147.04401	17.6
150.96843	1.4
155.97423	8.3
162.09274	1.2
165.05408	1.8
182.08109	22.6
183.93904	1.3
192.10214	7.3
208.77524	1.2
221.07977	1.3
223.10966	1.9
237.61612	1.1
238.10899	2.9
238.13026	1.8
238.16797	1.4
242.92093	1.0
253.44841	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	238.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.9
70.56363	0.4
70.59745	0.4
70.60123	0.4
74.06079	100.0
87.52753	0.5
91.05476	54.7
92.17813	1.2
102.30799	0.5
103.05470	2.4
111.98511	3.0
119.04935	10.0
120.08110	2.7
128.64046	0.4
132.08116	1.0
132.95860	3.0
139.06816	0.4
147.04427	0.6
150.09186	2.8
150.96904	1.9
155.97427	6.3
173.98492	3.2
192.10188	0.9
196.09769	1.0
210.13684	0.6
223.10973	0.6
238.10834	1.6
238.13141	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00522	0.7
61.46355	0.7
65.03947	0.8
74.06081	1.9
75.29952	0.7
91.05477	21.8
91.55595	0.7
93.27798	0.8
103.10966	0.8
105.07018	1.0
111.98428	1.5
119.04933	100.0
120.08092	52.4
132.08075	4.5
132.95821	3.5
133.06459	3.4
134.09721	0.9
147.04396	93.0
155.97386	7.6
165.05457	1.9
173.98521	1.0
187.44521	0.8
189.05383	6.1
191.31461	0.9
196.09657	6.7
198.26823	1.0
200.56319	0.8
207.06502	5.1
212.34834	0.8
238.10727	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96828	0.5
68.80223	0.4
70.95854	2.7
71.29610	0.4
72.93793	0.8
74.06087	0.5
79.05496	8.8
81.03403	0.7
81.07032	0.6
87.00804	2.1
91.05454	1.9
94.02876	0.5
95.04973	0.9
95.06059	2.5
103.05459	1.8
103.48618	0.4
104.03403	0.5
105.07027	5.5
106.06554	74.8
107.04951	11.0
109.02867	0.5
111.98473	10.5
113.03513	0.5
113.07102	2.3
113.96376	0.7
114.94775	0.5
117.05761	0.7
119.07291	3.5
120.08076	0.6
129.99509	0.6
130.06525	1.0
131.04889	1.9
132.04459	6.5
132.08087	79.3
132.95831	13.2
135.04411	22.5
135.08035	5.7
136.06187	12.7
142.04959	0.5
148.07492	0.5
150.09065	0.5
150.96892	8.3
152.07027	0.9
155.97406	20.7
161.93990	0.5
173.98468	13.4
174.05560	1.8
177.58649	0.5
178.08647	4.0
192.06558	37.0
192.10187	100.0
220.06042	0.6
220.11882	5.3
238.07126	1.7
238.10699	4.5
238.12930	8.3
238.15477	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	238.1073
Annotation	Cotarnine
Peak:m/z	Relative Intensity
51.50566	0.6
54.81918	0.6
58.51973	0.6
62.60499	0.6
65.82014	0.6
69.07058	6.0
79.05491	1.2
84.04494	1.7
92.17867	0.8
96.04475	0.9
96.89464	0.7
97.06525	8.2
98.06011	1.7
112.03957	25.7
122.01959	0.7
122.10417	1.2
124.03951	1.1
125.04784	0.8
126.05498	8.4
127.07491	1.0
132.95793	1.4
137.05978	4.0
140.02332	1.1
140.03426	47.9
141.04199	14.1
142.04990	100.0
150.96918	0.8
152.03412	4.2
154.04979	57.3
155.97443	4.6
173.98430	1.0
182.04501	1.4
220.09677	1.2
238.10735	62.2
238.16782	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38309	0.3
56.00072	0.2
56.85796	0.2
67.18420	0.3
70.95869	0.5
79.05495	10.0
90.05554	47.1
91.05479	0.3
92.18459	0.4
99.46930	0.3
101.39939	0.3
105.07009	0.6
106.06569	2.0
107.04955	100.0
111.98489	3.9
112.57397	0.3
118.06569	0.4
120.08045	1.9
132.95830	4.4
135.04405	0.4
136.79091	0.3
149.05980	5.0
150.96913	2.2
155.97421	7.3
173.98474	3.7
174.12747	1.9
177.62909	0.3
178.08630	3.8
192.06581	1.2
192.13893	1.6
201.43706	0.3
203.07068	1.1
220.09680	1.5
238.10803	1.7
238.14433	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	239.0437
Annotation	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate
Peak:m/z	Relative Intensity
56.96565	4.0
63.16741	0.1
70.06586	0.3
84.27685	0.2
98.97581	100.0
100.11255	0.2
100.99165	2.1
101.11570	0.8
110.97565	0.2
111.02066	0.2
116.98615	26.4
118.08648	0.8
119.00197	2.2
122.91424	0.2
124.80676	0.2
124.99126	1.2
131.00137	1.2
134.99652	4.3
140.00200	0.4
142.03839	0.2
143.00188	2.0
149.01225	0.4
153.00580	0.2
155.00154	0.4
156.92744	0.3
158.99644	1.9
161.01204	19.6
173.01224	0.3
174.93866	0.2
177.00716	0.4
179.02261	37.8
191.02168	0.3
197.03323	11.2
198.06183	0.3
202.03929	0.3
207.05347	0.2
219.16960	0.2
221.03314	42.2
239.04382	15.4
257.05386	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	239.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
56.97419	2.0
57.03437	3.4
67.05489	4.2
69.03437	2.9
69.07066	2.3
70.97013	2.3
71.04980	3.4
73.02916	3.6
79.05486	9.5
81.07038	4.6
89.06010	2.6
91.05479	17.1
93.07026	5.7
95.04926	3.3
95.08574	4.5
103.05481	13.6
105.05521	2.4
105.07028	38.2
107.04952	62.2
107.08613	4.9
109.10147	4.6
111.08086	2.7
115.05469	4.4
117.07003	14.8
119.08577	10.9
121.06493	22.6
121.10180	2.8
123.04404	4.3
123.08060	2.4
131.04916	10.5
131.08551	4.5
133.06473	37.6
133.10088	11.9
135.04419	17.3
135.08072	20.9
136.05180	5.6
137.05991	71.8
138.06758	21.8
143.08528	5.2
145.06511	10.6
146.07211	2.5
147.08038	13.6
148.08867	5.1
149.05974	5.8
149.09648	2.7
150.06798	2.8
151.07623	5.5
160.08865	3.5
161.05936	3.6
161.09593	12.2
163.07532	100.0
164.08347	9.6
165.09105	27.0
171.07974	2.9
175.07533	89.5
175.11174	20.3
175.14890	3.7
177.09079	10.7
179.07001	10.8
180.07770	22.2
181.08617	11.3
182.09378	33.2
188.08336	3.0
189.09070	3.1
193.08562	21.7
203.10634	30.5
203.14246	3.2
209.11765	10.4
217.58582	3.0
221.11752	12.8
224.10414	15.4
239.12709	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	239.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05502	1.0
58.37208	1.1
65.42149	0.9
67.05504	1.1
69.03410	1.2
79.05496	0.9
81.07034	1.9
91.05475	3.7
92.16792	1.0
93.07050	1.7
105.07025	5.9
109.06509	5.6
114.34354	1.0
117.06972	1.3
119.08564	3.9
128.74695	1.0
129.06992	4.8
130.41154	1.0
131.08563	4.3
132.95808	2.4
133.06483	4.1
139.22992	1.0
141.06985	1.9
143.08569	8.4
145.06454	1.9
147.08046	8.0
150.96861	1.0
155.08517	6.1
155.97383	4.7
156.97707	2.3
157.06505	2.3
157.10104	1.3
159.08044	2.2
167.08574	1.3
169.10068	9.7
179.08572	3.9
181.10088	2.0
182.10960	1.7
183.08095	1.7
183.11725	5.8
193.10129	5.3
195.08031	2.0
195.11639	4.3
196.12547	1.5
197.09616	7.4
197.13280	4.8
206.10930	12.1
209.09610	5.8
210.10432	5.3
211.11143	4.7
211.14789	5.9
221.13263	18.2
224.11864	12.4
239.14299	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63435	0.6
54.80597	0.7
55.05519	1.7
58.50885	0.7
63.85910	0.7
67.05532	0.9
67.13749	0.6
69.07033	1.3
79.05492	1.6
81.07037	3.2
83.04968	1.3
91.05465	1.4
93.07027	4.5
95.04993	0.7
95.08583	1.5
102.42568	0.7
105.07019	5.5
107.08591	1.2
109.06492	1.6
119.08566	3.6
121.06457	1.2
128.06145	0.8
129.06993	3.3
131.08557	5.0
133.06487	1.7
141.06981	3.1
142.07751	0.8
143.08565	6.3
145.06493	1.4
145.10092	6.9
147.08061	2.8
153.05437	4.0
153.06850	0.9
155.08527	9.5
157.06430	0.9
157.10129	4.7
159.08011	1.7
165.07001	4.0
166.07614	0.8
167.08571	4.4
168.09322	1.3
169.10118	19.6
171.11847	0.9
178.07755	1.5
179.08549	8.3
180.09372	3.9
181.10136	8.3
182.10866	3.9
183.08063	3.8
183.11690	12.3
191.08594	4.7
192.09239	6.0
193.10152	7.8
195.08104	1.8
195.10138	1.9
195.11714	12.9
196.08720	1.1
196.12431	5.9
197.09671	9.5
197.11389	0.8
197.11716	0.8
197.13268	11.1
206.10887	17.5
209.09654	3.8
210.10347	6.6
211.11234	3.3
211.14792	17.1
221.13249	25.1
224.11880	9.2
239.10439	3.7
239.14301	100.0
239.17784	7.2
241.33916	0.7
243.08246	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	239.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.2
57.07089	1.1
58.58514	0.8
60.53636	0.9
61.17109	0.8
67.05524	1.4
67.58199	0.9
69.03408	1.4
69.07060	1.5
70.51007	0.9
81.07059	4.7
83.04993	1.1
83.08616	1.1
91.05452	2.0
93.07042	3.8
95.08573	2.5
105.07015	6.5
107.08581	1.5
119.08572	10.3
128.06178	1.2
129.06985	2.3
131.08556	4.4
133.06514	1.2
133.10161	3.5
141.07005	3.8
143.08578	6.8
145.10091	4.0
147.08002	1.1
153.07039	1.1
155.08539	16.2
155.97430	1.5
156.97694	1.7
157.10069	7.1
159.07977	1.7
165.07021	4.7
166.07780	1.3
167.08554	5.3
169.10121	29.6
171.11674	3.7
178.07764	1.2
179.08572	5.0
180.09303	1.5
181.10085	7.9
182.10858	4.8
183.08057	4.7
183.11711	20.4
191.08571	2.4
192.09311	1.3
193.10168	6.5
194.10970	1.7
195.11714	11.1
196.08884	2.3
196.12460	6.7
197.09628	12.0
197.13264	13.9
205.10194	1.4
206.10895	11.1
209.09660	5.7
209.13185	7.0
210.10324	4.8
210.13918	1.6
211.11241	10.0
211.14764	15.9
221.09647	2.2
221.13196	14.9
224.08372	1.5
224.11906	13.1
224.15334	1.3
239.10745	14.0
239.14291	100.0
239.17941	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	239.143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03387	1.7
81.07035	2.4
91.05429	2.2
93.07024	6.5
105.07019	6.1
109.06505	2.2
117.06973	2.0
118.42435	1.2
119.08572	5.9
121.06517	1.5
128.06247	1.7
128.35829	1.2
129.06996	8.6
131.08528	5.0
133.06453	1.4
141.06967	1.4
143.08543	7.7
145.06459	5.2
145.10124	6.1
147.08075	17.1
155.08521	7.8
157.10130	5.3
165.06955	2.1
167.08534	4.4
168.09361	1.4
169.10123	15.0
178.07719	2.2
179.08572	8.0
180.09250	1.7
181.10107	5.7
182.10834	2.1
183.08072	4.7
183.11676	7.3
191.08614	6.0
192.09230	4.6
193.10095	5.0
195.11676	12.4
196.08850	1.4
196.12524	2.9
197.09695	8.8
197.13254	7.6
206.10893	20.3
209.09590	2.5
209.13229	1.7
210.10425	6.0
211.11157	5.5
211.14804	11.3
221.13226	28.9
224.12029	8.5
239.14282	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71941	0.8
55.05523	1.2
62.66211	0.9
65.52305	0.9
67.48853	0.9
69.03450	0.9
77.90379	0.8
79.05511	1.1
81.07059	2.0
82.16763	0.8
83.04973	1.2
93.07032	4.4
98.60955	1.0
105.07029	5.9
107.08612	2.2
109.06503	1.2
117.06976	1.1
119.08553	2.1
129.06992	1.8
131.08583	4.5
138.07802	0.9
141.06999	4.6
143.08571	5.6
145.06506	1.9
145.10106	4.4
147.08060	2.2
155.08556	9.3
157.10068	2.0
159.08037	4.3
165.06953	1.7
166.07727	1.2
167.08517	4.7
168.09306	1.7
169.10112	14.9
179.08546	8.5
180.09311	3.8
181.10109	6.1
182.10895	2.2
183.08008	2.1
183.11722	9.9
191.08553	3.9
192.09383	7.5
193.10175	5.0
195.08116	1.6
195.11725	10.9
196.08916	1.7
196.12459	4.5
197.09608	5.6
197.13251	8.2
205.10402	1.0
206.10927	17.0
209.09564	1.9
210.10393	5.9
211.11172	3.9
211.14807	16.1
219.02824	0.9
221.13246	21.4
224.11925	6.3
230.73166	1.1
239.14291	100.0
255.47787	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07066	2.2
84.49024	1.9
88.16965	2.0
92.17852	2.3
93.07042	2.7
105.07021	3.5
118.01746	1.9
119.08558	3.1
129.06993	4.7
131.08620	2.6
143.08585	8.6
147.08089	9.2
155.08528	4.4
159.08008	2.1
169.10120	10.0
179.08571	2.2
181.10188	3.0
183.08151	2.4
183.11729	8.6
184.08803	2.1
193.10118	4.1
195.07927	2.3
195.11673	3.4
196.12457	3.5
197.09662	12.7
197.13370	3.1
206.10983	11.1
209.09760	2.1
210.10490	7.5
211.11147	4.1
211.14851	7.4
221.13307	10.0
224.11954	13.0
239.10710	3.1
239.14314	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	239.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15360	0.7
53.61480	0.7
59.86104	0.8
79.05487	0.8
81.07088	0.8
88.08469	0.7
91.05448	1.0
105.07088	2.2
107.08543	0.8
112.98737	1.1
119.08556	3.0
132.95840	3.4
133.06476	1.2
136.04897	0.7
141.06950	1.6
143.08557	1.2
147.08093	1.2
155.08542	5.1
155.97401	3.4
156.09247	0.9
156.97655	3.9
157.10120	2.0
165.06987	1.0
166.07710	1.1
167.08553	1.8
168.09229	1.6
169.10114	12.1
171.11751	1.2
173.98439	1.3
174.98705	1.4
178.07878	1.2
179.08514	1.5
180.09416	0.9
181.06464	0.9
181.10172	3.4
182.10957	1.3
183.11720	9.4
185.09694	1.1
193.10083	5.6
195.08076	3.7
195.11694	4.3
196.08820	5.7
196.12440	5.2
197.09636	9.6
197.11133	0.9
197.13220	6.0
206.10922	6.2
209.09564	6.0
209.13271	1.1
210.10329	6.6
211.11169	12.4
211.14816	11.3
221.09669	3.2
221.13254	13.3
224.08308	5.3
224.11928	20.7
239.10654	36.8
239.14296	100.0
239.18059	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	239.164
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
54.66250	3.1
54.97688	3.1
55.01862	13.6
55.05522	33.3
57.03439	6.7
57.07068	6.7
67.05510	42.3
69.06735	4.6
69.07072	86.4
69.30312	3.1
71.04984	6.7
71.08626	3.5
73.02905	5.4
79.05502	28.1
81.03420	4.6
81.07054	50.4
83.04961	13.9
83.08604	15.1
85.02905	30.8
87.04452	7.8
91.05488	30.4
93.07035	38.1
95.01311	19.3
95.05009	26.5
95.08607	46.7
97.06516	22.1
97.10133	12.5
99.04446	39.2
101.02365	17.9
105.07030	44.8
105.62347	3.4
107.08582	18.3
109.02917	4.2
109.06509	16.4
109.10152	20.7
111.04449	22.6
111.11668	4.5
113.02345	14.1
115.03936	5.0
119.08571	62.6
121.10143	27.6
123.04395	19.6
123.08073	13.3
123.11659	6.1
125.06011	5.7
129.06960	5.1
131.08559	13.1
133.06506	13.3
133.10159	32.7
135.08047	5.3
135.11682	7.5
137.05959	12.5
137.09596	13.7
139.07536	4.5
139.11166	16.6
141.05463	3.7
143.08559	16.4
145.10132	7.2
147.08047	6.9
147.11673	3.6
151.07590	12.9
155.08546	15.1
157.10149	16.0
159.11705	14.2
161.09663	4.4
161.13251	40.5
165.09122	7.8
168.09296	4.4
169.10133	30.1
175.14824	41.0
177.75932	3.5
179.14343	22.3
181.10133	4.5
182.11011	3.2
183.11682	29.6
185.13237	13.5
193.15877	17.7
195.11740	13.5
196.12552	7.3
197.09698	12.6
197.13217	35.3
203.14279	22.7
209.09596	3.4
209.13243	4.5
210.13896	4.3
211.14806	7.5
220.10847	3.3
221.13234	11.6
221.15384	42.2
224.11823	3.8
224.15451	4.8
227.28847	3.3
239.14378	67.4
239.18175	100.0
241.13826	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	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
56.96555	1.0
57.07082	1.6
57.07370	0.6
61.92130	0.7
67.05498	1.7
67.95629	0.6
69.07064	6.3
79.05489	2.8
81.07045	4.1
83.08620	1.2
91.05482	4.1
91.92619	0.7
93.07037	1.1
95.08585	4.0
105.07024	7.8
107.08599	21.2
109.10137	2.7
117.07069	0.8
117.59444	0.7
119.08585	4.6
121.10139	1.4
129.06941	1.0
131.08572	4.8
132.95827	1.1
133.10130	3.8
133.95964	0.8
141.06992	2.9
142.07826	1.5
143.08548	4.9
145.10124	45.0
150.96866	1.0
154.07770	1.5
155.08551	18.2
156.09340	1.7
156.97620	1.1
157.10127	7.9
159.11681	9.1
167.08588	1.6
168.09326	3.9
169.10124	25.4
171.11627	5.1
173.98460	1.0
179.08574	9.6
181.06435	5.4
181.10139	8.1
182.10924	4.8
183.08165	1.0
183.11685	37.2
184.12462	2.8
185.13206	0.7
193.03903	0.8
195.08055	1.5
195.11707	4.8
196.08887	1.4
196.12486	6.7
197.09596	15.9
197.13263	26.7
206.10893	1.1
209.09584	1.2
209.13266	3.9
210.14063	2.7
211.11234	1.4
211.14861	7.3
221.13292	1.7
224.12015	1.3
224.15569	5.7
239.10774	1.4
239.14281	34.5
239.17950	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	239.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06813	0.6
53.19264	0.6
54.56830	0.5
55.05516	7.4
57.07071	1.3
66.48757	0.6
67.05509	1.6
69.07053	3.5
70.95854	0.8
71.19736	0.6
71.23738	0.7
81.07056	4.3
83.08617	4.8
91.05431	1.2
93.07045	1.4
95.08595	14.6
97.10162	1.5
105.07029	8.2
107.08562	0.7
109.10164	7.8
111.98468	3.3
114.97898	0.7
119.08550	5.8
125.46514	0.8
131.08530	5.1
132.95831	4.5
133.06470	1.5
133.10156	1.7
141.06956	1.1
142.07794	1.2
143.08551	10.8
145.10106	6.1
146.98184	0.8
150.96880	1.8
151.97150	1.0
155.08557	28.2
155.97437	5.2
156.97676	6.5
157.10127	13.1
167.08583	1.4
167.98552	0.8
168.09326	3.2
169.10112	52.3
171.11667	3.9
173.98471	2.9
174.98735	5.1
181.10129	4.5
182.11032	1.2
183.08090	1.3
183.11700	36.3
192.93437	0.8
195.11765	5.6
196.12437	6.4
197.09593	5.8
197.13264	22.1
206.10968	2.9
209.13226	4.0
210.10359	1.2
210.14090	2.9
211.11267	1.4
211.14906	7.2
221.13226	7.7
224.11850	3.4
224.15517	6.3
239.14282	35.9
239.17946	100.0
249.38849	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	239.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36156	0.5
51.49969	0.5
55.05505	0.6
57.07065	0.8
57.20905	0.4
60.86198	0.5
68.05406	0.5
69.07040	1.0
81.07034	3.9
88.95755	0.6
91.05465	0.8
91.92924	0.7
93.07021	1.3
95.08578	3.2
105.07016	3.2
105.81606	0.7
107.08585	2.8
109.10143	0.7
119.08567	2.9
123.43520	0.6
129.07028	0.6
131.08536	3.7
133.10126	2.7
141.07028	1.1
142.07784	0.7
143.08502	4.1
145.10115	6.2
147.11691	0.9
155.08546	15.0
156.09320	1.2
157.10098	4.8
159.11699	4.2
165.52365	0.7
167.08493	1.2
168.09319	1.4
169.10123	11.3
170.10954	0.8
171.11641	3.6
181.10114	5.3
182.10880	2.8
183.08110	0.7
183.11685	24.2
184.12460	1.1
185.13310	0.8
195.11691	3.3
196.08803	0.7
196.12437	7.1
197.09624	3.0
197.13237	22.3
206.10765	0.8
209.13298	3.0
210.14014	2.5
211.11267	0.9
211.14813	5.8
216.06728	0.7
221.13225	0.9
224.11949	2.6
224.15576	7.2
239.14388	14.8
239.17920	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	239.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18988	1.8
55.05510	14.2
57.07080	100.0
67.05506	33.0
69.07067	23.5
71.08631	68.9
71.96236	2.4
81.07050	41.1
83.08611	23.6
85.10168	35.6
93.07015	3.6
95.08033	2.9
95.08604	58.0
97.10164	11.1
109.10149	22.2
131.08603	2.3
132.95784	2.7
137.13106	2.4
148.67839	2.3
155.97418	3.3
169.10103	3.2
173.98405	2.8
183.11737	4.5
195.11806	2.5
197.13171	3.0
222.43019	2.8
239.14285	20.1
239.17937	8.2
239.23643	2.1
243.40727	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	240.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
77.03935	0.4
91.05485	1.6
95.04962	2.9
98.97604	1.4
100.72514	0.3
105.03395	100.0
116.97223	4.3
118.06544	10.9
119.04971	0.5
122.05997	0.5
131.99579	1.9
134.95877	1.6
152.96906	0.7
156.48640	0.3
157.97458	3.1
175.98502	6.1
176.02307	0.3
182.27472	0.3
240.10139	8.4
240.12152	0.4
240.14561	0.8
240.18260	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	240.1018
Annotation	Muricatisine
Peak:m/z	Relative Intensity
50.55659	0.3
52.63176	0.3
53.03945	0.5
53.73476	0.3
57.46883	0.3
58.33625	0.3
59.58229	0.3
68.12162	0.4
73.01057	0.3
77.03925	0.5
91.05486	0.9
92.17782	0.4
95.04962	3.4
105.03392	100.0
109.55697	0.4
116.97215	0.6
118.04002	0.4
118.06542	10.9
119.04968	0.6
122.06004	0.5
175.98495	0.5
226.27353	0.4
240.10109	7.1
240.14731	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	240.1017
Annotation	Muricatisine
Peak:m/z	Relative Intensity
51.02376	0.3
53.03949	1.2
71.69695	0.2
77.03924	1.4
79.92884	0.2
91.05464	1.8
93.94974	0.2
95.04961	3.4
98.97584	0.6
105.03391	100.0
116.97215	1.5
118.06538	11.3
119.04951	0.6
122.06020	0.6
131.99559	0.4
145.06244	0.2
152.96880	0.3
157.97443	0.4
169.10088	0.3
170.10475	0.5
175.98486	2.0
184.11996	0.4
196.12131	0.4
197.13063	0.5
198.09906	1.2
198.13660	0.6
207.11307	0.4
212.15230	1.0
222.13631	0.5
225.12486	0.5
240.10147	5.7
240.14629	6.7
240.18361	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	240.1018
Annotation	Muricatisine
Peak:m/z	Relative Intensity
53.03957	1.1
61.66732	0.2
65.38280	0.2
69.61309	0.2
72.74221	0.3
76.63657	0.3
77.03938	1.1
91.05482	1.2
92.18473	0.4
95.04972	2.7
105.03391	100.0
118.06532	10.6
119.04961	0.7
122.06043	0.4
125.35543	0.3
162.75894	0.3
168.79980	0.3
240.10139	8.0
240.14647	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	240.1019
Annotation	Muricatisine
Peak:m/z	Relative Intensity
51.02387	0.3
53.03955	0.4
53.75590	0.2
77.03908	0.4
78.19123	0.3
91.05483	1.2
92.35720	0.3
95.04976	3.0
98.97586	0.6
100.23864	0.3
105.03390	100.0
116.97215	2.5
118.06544	11.8
119.04919	0.5
121.37224	0.3
122.06035	0.7
131.99487	1.0
134.95824	0.4
157.97424	2.4
175.98546	3.0
240.10156	6.8
240.14845	0.5
241.41173	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	240.1018
Annotation	Muricatisine
Peak:m/z	Relative Intensity
53.03946	0.7
62.34425	0.3
77.03946	1.1
84.90504	0.3
91.05473	1.9
95.04967	3.6
95.76769	0.3
96.23101	0.3
98.97569	0.5
105.03391	100.0
116.97221	4.0
116.98579	0.3
118.06532	11.7
119.05007	0.4
122.06061	0.7
125.96452	0.3
131.99568	0.6
132.12685	0.3
134.95833	0.6
152.96967	1.1
157.97462	3.0
175.98553	5.1
184.12054	0.4
240.10092	5.4
240.14632	1.3
240.18239	2.6
249.23177	0.3
255.96658	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87433	0.4
74.17462	0.5
80.43864	0.4
82.89499	0.4
84.04505	1.1
121.06504	0.9
126.05494	0.7
138.05496	100.0
139.06381	0.5
139.07524	2.0
141.37955	0.5
152.03455	1.9
152.07069	2.4
166.04979	11.7
170.04442	6.0
194.11751	21.4
201.12888	0.6
204.10245	3.7
206.29950	0.5
222.11232	28.3
240.12418	0.8
240.14708	0.5
240.18347	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23648	0.6
51.52703	0.6
53.03226	0.6
55.05494	0.9
72.71421	0.8
72.71889	0.7
81.07059	3.2
92.18492	1.6
98.97595	0.8
112.03974	5.2
116.97224	1.0
119.28356	0.7
131.99573	0.8
137.06010	0.8
140.03419	6.2
141.04198	2.9
142.04990	100.0
157.97444	0.9
175.98561	1.7
185.01978	0.8
189.42792	0.8
205.08556	0.8
222.11057	0.8
223.09637	1.5
240.12363	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20557	0.5
57.07064	1.3
67.05502	6.5
70.06553	0.9
71.04981	0.7
72.08121	0.8
75.74261	0.5
79.14882	0.5
83.05694	0.6
84.08122	1.2
85.02888	0.8
85.06043	1.2
85.06540	23.7
88.57274	0.5
91.05479	0.9
92.18480	0.5
95.04942	2.3
98.97548	3.2
107.04948	2.6
108.04484	1.2
109.11284	0.5
110.06033	55.8
112.87363	0.5
113.96408	0.6
116.01705	0.6
119.04957	0.9
124.03931	2.3
125.13145	0.6
129.01863	1.9
129.10199	2.9
132.95810	1.3
135.04378	2.3
137.05928	0.8
138.05490	2.2
144.95862	0.6
147.04436	2.0
153.05414	2.3
158.99602	2.1
175.98534	0.6
177.05464	2.3
179.07050	1.0
180.06474	2.1
194.08084	2.7
194.11755	36.8
195.06435	1.0
199.00497	0.9
199.05995	3.3
208.04907	0.6
216.97710	0.6
222.07657	2.2
222.11127	0.8
223.06000	5.5
240.06549	2.9
240.08754	7.7
240.12267	100.0
245.21701	0.5
259.02570	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94003	0.3
63.35976	0.3
70.32814	0.3
72.10337	0.3
79.05498	0.3
81.07076	2.3
96.04503	0.4
112.03965	4.4
126.05503	1.2
138.05475	0.3
140.03429	6.1
141.04218	2.2
142.04994	100.0
146.96315	0.3
161.36981	0.3
180.06667	0.3
219.08450	0.3
240.12277	24.0
241.02254	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43211	0.4
71.69218	0.4
81.07053	2.5
107.20652	0.4
112.03971	4.0
126.05528	0.6
140.03438	6.0
141.04175	3.7
142.04994	100.0
240.12294	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04145	0.2
78.03447	0.4
81.07051	1.9
96.04504	1.0
112.03957	3.7
126.05486	0.4
140.03444	5.9
141.04219	3.1
142.04996	100.0
175.98486	0.4
176.82768	0.2
183.11746	0.3
222.11337	0.3
240.12296	26.4
240.14343	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	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20557	0.5
57.07064	1.3
67.05502	6.5
70.06553	0.9
71.04981	0.7
72.08121	0.8
75.74261	0.5
79.14882	0.5
83.05694	0.6
84.08122	1.2
85.02888	0.8
85.06043	1.2
85.06540	23.7
88.57274	0.5
91.05479	0.9
92.18480	0.5
95.04942	2.3
98.97548	3.2
107.04948	2.6
108.04484	1.2
109.11284	0.5
110.06033	55.8
112.87363	0.5
113.96408	0.6
116.01705	0.6
119.04957	0.9
124.03931	2.3
125.13145	0.6
129.01863	1.9
129.10199	2.9
132.95810	1.3
135.04378	2.3
137.05928	0.8
138.05490	2.2
144.95862	0.6
147.04436	2.0
153.05414	2.3
158.99602	2.1
175.98534	0.6
177.05464	2.3
179.07050	1.0
180.06474	2.1
194.08084	2.7
194.11755	36.8
195.06435	1.0
199.00497	0.9
199.05995	3.3
208.04907	0.6
216.97710	0.6
222.07657	2.2
222.11127	0.8
223.06000	5.5
240.06549	2.9
240.08754	7.7
240.12267	100.0
245.21701	0.5
259.02570	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	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.3
74.34544	1.9
78.94124	1.6
82.94537	2.8
85.29740	1.9
92.17740	1.6
98.97581	100.0
101.00912	2.5
116.98611	54.5
119.01896	10.4
134.99643	21.5
140.00160	4.4
143.01918	2.4
153.00601	2.0
157.03482	8.4
157.97565	7.7
158.01253	12.1
158.99605	2.2
163.04524	2.4
175.04491	6.6
175.98637	3.7
176.02177	2.1
177.00688	14.6
183.26392	2.0
195.01773	2.4
198.98460	1.9
199.98697	4.2
200.07672	14.0
204.25290	1.8
205.05547	8.5
217.99670	4.3
218.08749	7.4
223.06543	13.3
241.03256	24.9
249.45206	1.7
259.04367	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	241.1184
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
50.44543	0.2
58.06597	3.1
66.38236	0.2
70.06588	0.2
73.73249	0.2
74.26765	0.2
76.75338	0.2
83.21667	0.2
84.08109	1.6
92.91160	0.2
105.72311	0.2
106.96684	0.2
110.79095	0.2
118.80626	0.2
128.10715	1.6
134.05986	1.3
136.07552	2.2
144.10201	0.3
152.07036	0.8
154.08701	0.2
163.08649	2.4
163.49263	0.2
164.07047	100.0
165.78593	0.2
181.09702	6.9
182.08115	1.3
191.06723	0.2
196.09685	2.7
206.08144	0.2
223.10757	7.8
241.11917	4.8
241.15442	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1222
Annotation	Micrandrol B
Peak:m/z	Relative Intensity
53.70549	0.7
56.11670	0.6
61.49071	0.9
62.78128	0.6
64.00562	0.7
67.05491	0.9
74.51689	0.7
77.36680	0.6
85.04324	0.7
89.43031	0.7
91.05476	0.8
93.06992	0.7
95.04951	3.3
98.97569	0.8
103.64002	0.7
105.03358	1.5
105.07024	0.9
106.03716	1.4
111.06024	0.8
111.06795	0.7
121.06466	0.9
129.07034	1.0
143.08481	2.7
145.06467	3.0
146.07298	5.7
157.10138	1.7
159.08009	4.8
165.06982	2.8
167.08505	1.2
169.10054	1.0
171.08086	1.1
171.11673	3.4
173.09566	1.0
180.09305	1.6
181.10121	1.3
184.08757	1.4
185.09599	6.8
185.13222	3.0
195.11674	4.8
197.09590	1.5
197.79224	0.8
198.10393	3.5
199.07501	1.1
199.11166	7.0
199.14752	0.9
211.11172	1.1
212.08282	1.5
213.09261	0.9
213.12746	9.4
223.11137	7.6
226.09892	4.3
241.12216	100.0
241.15727	9.3
241.19345	1.9
241.34210	0.8
243.29572	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52669	0.3
55.05511	1.5
59.05005	7.7
69.07057	1.5
81.07062	0.7
83.04498	0.5
83.04977	9.8
85.02907	7.0
95.08588	1.7
97.06505	5.5
97.10155	3.0
99.08087	21.1
101.06007	0.6
105.07011	0.6
107.08527	0.3
110.03465	0.4
113.05977	0.4
119.08611	1.3
121.06531	0.4
121.10121	0.6
123.08076	1.5
125.05984	0.6
131.08585	0.5
133.10106	0.7
135.08066	0.4
135.11728	0.5
137.09561	0.4
139.07582	0.4
139.11174	6.5
141.09102	5.6
143.08557	0.7
155.10635	0.4
157.10118	1.4
163.11163	2.9
164.07054	0.4
167.08563	0.4
169.10158	0.5
171.11700	0.8
181.12213	100.0
183.10175	6.3
183.11661	0.7
185.13219	0.6
193.10194	0.4
195.11739	0.4
199.13255	5.4
199.14912	0.6
208.12425	0.4
213.12759	0.4
213.16457	0.4
223.14885	0.6
228.67297	0.4
241.08696	1.3
241.12100	1.8
241.14130	20.3
241.19507	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	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05504	2.3
56.14244	0.5
57.20714	0.6
57.55079	0.5
65.03941	1.1
67.05518	1.3
67.44530	0.5
69.03426	0.9
69.07051	0.7
79.05508	4.5
81.03402	0.6
81.07047	2.5
82.26381	0.5
83.04961	1.1
85.06531	0.6
91.05481	9.7
93.07036	9.5
93.96968	0.6
95.04958	1.5
95.08636	4.5
98.97588	1.0
99.04475	0.6
105.07035	9.5
107.08593	100.0
109.06528	6.3
109.10203	0.9
111.08084	1.4
119.06072	2.5
119.08581	8.0
121.06500	3.7
121.10111	4.0
123.08052	9.6
125.05972	0.7
131.08554	1.4
133.06474	5.8
133.10147	1.1
135.08047	4.1
135.11661	2.9
139.07533	4.0
149.05975	0.7
149.09631	1.1
149.13231	5.7
151.07542	17.5
159.11697	7.6
161.09651	0.6
163.07521	1.2
163.11151	3.2
167.07034	7.0
167.78027	0.6
177.12709	6.0
181.08569	0.8
185.13231	0.9
195.13867	2.3
205.12233	6.1
213.16435	0.7
223.13255	8.7
223.15262	0.8
241.10480	7.4
241.13966	0.9
241.15863	3.3
241.19655	0.7
242.58348	0.7
253.66301	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20907	0.2
58.06599	4.8
59.36102	0.2
64.28309	0.2
70.06590	0.2
84.08140	3.0
98.09687	0.3
107.54325	0.2
128.10733	2.3
134.05954	0.8
136.07559	2.2
140.07042	0.3
144.10262	0.3
152.07050	1.2
163.08687	1.3
164.07048	68.3
181.09673	4.2
181.11125	0.3
182.08145	1.0
196.09654	3.4
223.10754	5.3
241.11563	3.1
241.15446	100.0
256.29968	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	4.8
63.43980	0.3
70.06587	0.4
74.71834	0.3
84.08155	3.2
98.09716	0.4
100.11236	0.3
102.63567	0.3
109.93120	0.3
111.01000	0.3
128.10719	3.4
134.17023	0.3
137.24580	0.4
144.10268	0.4
155.54231	0.4
158.99747	0.3
196.09668	3.6
217.70129	0.4
241.15462	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06594	4.3
70.06568	0.3
72.67294	0.3
84.08121	2.7
87.19864	0.3
98.09674	0.4
98.30835	0.3
101.43629	0.2
106.09785	0.3
128.10699	2.4
136.07564	0.5
144.10158	0.4
163.08626	0.3
164.07039	14.5
181.09717	1.1
182.08054	0.3
195.11971	0.2
196.09650	2.6
223.10803	0.5
241.15440	100.0
249.94078	0.3
257.80762	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	241.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.5
57.03432	3.5
57.46179	1.5
62.58796	2.1
67.05497	2.4
69.07065	4.4
71.04960	1.6
74.66076	1.8
79.05508	3.5
81.07047	11.4
83.04967	8.9
83.08617	7.9
91.05457	4.0
93.07040	16.7
95.08627	7.1
97.06464	2.4
98.97645	1.9
105.07036	14.3
107.08577	8.8
109.10167	2.5
110.23148	1.9
117.06993	2.3
119.08579	18.0
121.10124	3.8
129.06964	7.6
131.08568	9.6
133.10138	19.1
135.08038	2.2
143.08562	26.6
145.10092	11.4
147.08063	2.8
149.09631	2.8
155.08513	9.8
156.09334	2.0
157.06468	10.8
157.10153	21.7
161.09645	2.0
165.07002	2.4
166.07787	4.0
167.08601	3.5
169.10127	12.5
171.08017	2.5
171.11722	17.2
173.09636	2.1
179.08562	7.7
180.09196	2.4
181.10083	25.2
183.11702	7.8
185.09631	7.7
185.13239	8.8
194.10936	7.2
195.11633	13.4
197.13226	15.8
199.11160	7.7
199.14819	9.0
208.12550	4.4
211.14815	4.5
212.11807	2.4
213.12755	2.9
213.16397	11.9
223.14853	33.0
241.12212	12.4
241.15860	100.0
241.19460	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1587
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
51.70018	1.0
52.06874	1.0
55.05508	6.7
57.03424	1.8
63.59594	1.1
67.05505	2.4
69.07077	9.2
71.04975	1.6
79.05482	1.4
81.07069	11.2
83.04957	6.4
83.08624	2.8
85.06528	15.7
91.05466	4.9
91.51300	1.2
93.07044	22.7
95.08600	20.9
97.06484	1.5
97.10159	1.7
99.08085	2.7
105.07022	13.4
107.08602	8.5
108.35996	1.1
109.10139	10.9
111.08079	1.8
112.16936	1.3
112.76453	1.1
117.06995	2.0
119.08585	16.0
121.06467	5.1
121.10104	2.7
123.08041	5.3
123.11713	10.2
128.06204	2.8
129.07019	5.9
131.08542	14.2
133.10097	8.9
135.11679	1.9
141.06938	1.7
141.12747	2.2
142.07744	2.1
143.08549	23.7
145.10147	9.2
147.08012	8.7
149.13203	2.2
149.21150	1.5
153.06940	4.0
154.43034	1.3
155.08542	10.2
156.09409	1.6
157.10106	15.3
159.08023	4.5
159.11696	2.2
161.09601	2.3
165.06976	5.9
166.07770	5.5
167.08557	8.9
168.09303	1.7
169.10072	11.6
170.07275	2.3
171.08046	2.6
171.11621	14.5
173.09496	1.7
179.08553	7.5
180.09273	5.1
181.06548	10.2
181.10117	26.1
182.07301	4.8
182.10930	5.1
183.08028	2.1
183.11668	7.1
185.09592	10.1
185.13292	5.7
193.10118	8.3
194.10909	5.7
195.08055	2.1
195.11688	20.4
197.13271	29.2
198.06807	4.9
198.10355	1.3
199.07692	1.5
199.11229	10.3
199.14767	5.7
201.04684	1.4
208.12531	8.9
209.14024	1.4
210.06812	1.8
212.11923	2.0
213.09138	12.3
213.12715	8.3
213.16382	7.2
223.11172	5.2
223.14835	39.8
223.16861	2.0
226.06233	1.7
226.13411	2.3
241.08612	31.3
241.12323	18.3
241.15854	100.0
241.19524	5.4
241.21634	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	241.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83094	0.5
65.93391	0.5
66.26540	0.5
74.09530	0.5
79.05495	0.8
81.07045	1.1
91.05462	1.3
93.07005	3.2
95.08585	0.8
105.07013	3.6
107.08583	4.7
107.42163	0.5
119.08581	6.9
121.06518	1.0
121.10131	0.6
131.08557	2.2
133.10126	2.6
135.08015	2.9
141.22447	0.6
143.08524	2.4
145.10092	0.9
147.07997	0.6
157.10077	4.7
158.85725	0.6
159.11618	0.7
161.09669	0.9
171.08069	0.9
171.11740	1.3
180.94215	0.6
185.09628	5.6
195.11649	0.7
199.11212	1.4
200.12114	0.9
211.11180	1.2
213.16353	3.1
223.14737	0.6
225.12784	0.7
226.13509	24.2
241.15848	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	241.1586
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
55.05507	2.4
55.34996	1.0
57.03418	1.3
59.57385	0.9
66.37708	1.0
67.05493	1.9
69.07056	4.5
79.05475	2.5
81.07053	4.9
83.08662	1.0
87.55524	1.1
88.51752	1.1
91.05456	5.6
92.18524	1.9
92.34546	1.0
93.07038	13.4
95.04954	2.2
95.08593	9.0
97.06545	1.7
98.97551	5.6
105.03392	13.0
105.07020	17.5
106.03719	12.2
106.61220	1.0
107.08561	9.4
109.06523	1.6
114.98313	1.2
116.97211	4.4
116.98618	1.8
117.07003	1.5
119.08574	39.3
121.06492	1.6
122.00780	1.0
128.06187	1.5
129.06999	6.5
131.08577	7.5
133.06525	1.1
133.10120	5.7
135.08034	1.9
142.07739	1.9
143.08569	25.7
145.10109	7.3
147.08052	5.0
155.08557	13.1
156.09315	1.4
157.06506	10.1
157.10114	16.8
159.08159	1.5
159.11676	4.4
161.09593	1.9
166.07802	1.7
167.08562	7.5
169.10109	14.4
171.08055	7.9
171.11659	16.3
173.09637	2.3
175.98511	2.0
176.98618	1.2
179.08528	2.2
180.09267	2.4
181.10130	15.8
182.10896	1.8
183.11778	8.5
185.09619	11.6
185.13240	6.1
192.61363	1.2
193.10165	4.2
194.10910	6.2
195.11717	10.3
197.13290	8.0
199.07446	1.6
199.11180	9.1
199.14789	6.6
208.12483	6.7
211.14772	10.2
213.12708	5.6
213.16368	11.9
223.11301	1.8
223.14833	23.4
226.13533	4.8
228.08516	1.2
241.12410	9.2
241.15846	100.0
241.19508	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	241.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94228	0.8
81.07035	1.0
87.38627	0.7
91.05478	0.8
93.07008	3.3
105.03371	4.9
105.07020	2.9
106.03720	3.6
107.08576	5.2
119.08580	7.1
129.06937	0.9
131.08469	1.0
133.10086	3.0
135.08035	4.5
143.08504	1.7
145.10040	0.9
147.08034	1.1
157.10144	5.5
163.35539	0.7
170.43491	0.7
171.11681	1.3
179.44470	0.8
181.10057	1.2
184.08817	0.7
185.09605	5.0
199.11145	1.6
211.11237	1.3
213.16415	2.9
225.12695	1.0
226.13493	26.7
241.15842	100.0
248.35219	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	241.1586
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
52.02233	0.2
55.05504	1.1
57.73159	0.2
67.05492	0.9
69.07055	1.2
79.05485	1.1
80.48061	0.2
81.03407	1.4
81.07057	2.7
83.08597	1.1
85.06512	0.4
91.05488	0.6
93.07043	2.2
95.04951	1.3
95.08606	3.0
98.97559	1.6
105.07027	3.3
107.08599	2.1
109.06470	0.5
109.10134	0.5
113.77512	0.3
115.05445	0.3
116.98618	0.6
117.07040	0.5
119.04913	0.2
119.08585	6.6
120.80601	0.3
121.06450	0.5
121.10143	0.9
129.06970	1.5
131.08563	2.6
133.06461	0.4
133.10129	4.2
135.08058	2.6
141.07007	0.4
142.07761	1.2
143.08537	4.4
145.06497	1.0
145.10106	3.8
147.08017	2.0
147.11647	1.0
155.08525	2.1
156.09315	1.9
157.06548	0.3
157.10109	10.2
158.10892	0.6
159.08023	1.9
159.11679	3.6
161.09622	0.4
165.06999	0.3
166.07730	0.3
167.08502	0.5
169.10110	2.6
170.10843	0.4
171.08075	2.2
171.11667	11.0
173.09578	1.5
173.13257	11.1
179.08597	0.5
181.10104	5.1
182.10893	0.6
183.07980	0.9
183.11717	2.4
184.12369	1.0
185.09602	7.3
185.13266	4.9
193.10146	1.5
194.10918	1.0
195.11739	2.6
197.09564	1.7
197.13269	3.4
198.10378	3.1
198.13834	1.0
199.11148	4.6
199.14832	4.5
200.11917	0.4
207.20525	0.2
208.12439	3.2
211.11151	1.1
211.14767	2.5
212.11847	0.4
212.15273	0.3
213.12712	1.1
213.16374	4.4
223.14806	8.1
226.13336	7.4
226.16933	0.9
240.14709	0.3
241.15843	100.0
241.19394	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	241.1585
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.43969	0.4
53.76290	0.4
57.67781	0.4
58.94128	0.4
61.66373	0.5
64.14181	0.4
67.94924	0.4
69.07043	0.5
69.94965	0.4
70.75364	0.5
72.73095	0.4
79.05471	0.7
81.07053	1.2
83.54006	0.4
91.05470	2.8
92.17832	0.5
93.07063	3.8
95.08601	1.2
98.97563	2.8
105.03376	3.0
105.07011	3.3
106.03705	3.0
107.08583	3.9
116.98637	0.7
119.08585	8.5
121.06532	0.8
121.10165	0.5
129.06926	0.5
131.08548	2.5
133.10120	3.3
135.08070	4.0
142.07782	1.0
143.08528	3.7
145.10078	2.1
147.08037	1.8
156.09328	0.5
157.10114	7.6
159.08055	0.8
159.11702	1.2
160.36732	0.6
161.09590	0.6
167.08490	0.6
169.10106	1.0
171.08060	2.0
171.11615	5.2
173.09575	0.9
173.13261	3.5
175.98523	0.8
181.10115	2.3
183.11635	0.5
185.09593	5.4
185.13194	2.2
193.10158	0.6
195.11542	1.7
197.13261	0.9
199.11159	2.9
199.14786	1.1
208.12489	1.9
211.11156	2.4
211.14737	0.5
213.12675	0.9
213.16391	4.2
223.14774	2.4
225.12657	0.6
226.13493	22.4
237.19417	0.6
241.15845	100.0
241.19623	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	242.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32816	0.3
53.51302	0.2
53.85821	0.3
61.53755	0.3
65.07853	0.3
67.97118	0.2
69.40671	0.3
70.06605	1.3
72.47825	0.3
73.02934	0.4
80.05022	1.3
80.79578	0.3
84.08160	1.6
86.09708	0.4
88.07648	1.4
90.64640	0.3
96.04485	0.6
106.02921	1.5
108.96912	0.3
124.03954	100.0
129.10274	0.5
162.40735	0.3
171.14917	0.6
180.39777	0.3
215.13808	0.4
242.06581	17.7
242.09972	2.3
242.15573	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	242.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	5.7
58.06606	14.1
67.07063	1.0
71.62994	0.9
72.08141	4.3
74.09705	5.8
84.08144	1.8
96.40701	1.1
98.09689	4.6
98.97585	44.1
99.97919	1.9
100.11236	3.8
103.68983	1.1
104.10744	1.2
109.61691	1.0
116.98618	18.0
117.99010	1.2
118.08687	1.3
133.18028	0.9
134.99615	1.8
144.16681	1.0
158.43054	1.1
159.06816	0.9
161.01210	1.4
177.07707	1.1
179.02251	4.1
182.99725	1.7
190.35684	1.1
190.98720	1.4
196.99229	1.0
198.04462	1.8
200.02159	1.2
200.05919	7.9
200.07675	2.1
201.00755	5.4
201.07843	17.8
218.06927	2.2
219.01891	5.2
219.08916	10.6
221.53625	1.0
224.04349	1.2
241.44374	1.0
242.01785	2.3
242.06982	100.0
242.15807	5.1
249.15675	0.9
260.08060	35.9
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
52.68628	0.3
63.64335	0.3
70.06576	0.3
70.29113	0.3
80.04994	0.7
87.68069	0.3
99.17473	0.3
106.02911	1.8
112.03712	2.4
112.79637	0.3
119.03374	0.6
123.04404	0.5
124.03949	100.0
129.10205	0.3
153.05264	2.0
158.60512	0.3
179.07066	0.5
182.11748	0.4
196.09747	1.6
210.08614	0.5
224.08897	2.6
242.06610	16.6
242.10030	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	242.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27352	0.3
56.15142	0.3
58.06596	3.1
59.06932	0.7
70.06580	0.4
78.09662	0.3
84.08128	1.4
85.08453	1.3
104.95110	0.3
109.70291	0.3
113.56451	0.3
128.10692	0.8
129.11035	2.0
155.04630	0.5
164.07088	1.9
165.07419	6.2
167.98970	0.3
192.57397	0.3
196.09576	0.5
197.10016	2.6
201.48076	0.3
239.91765	0.3
242.15788	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	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87409	1.5
55.49639	1.4
56.96556	6.1
73.41457	1.3
84.96035	9.4
98.97592	22.8
101.00890	1.9
103.89243	1.3
116.98611	9.4
119.01930	8.6
120.02082	1.5
120.22674	1.3
134.99719	1.7
142.03499	1.7
152.60304	1.6
160.04582	7.2
164.98642	2.0
177.00989	11.1
179.00211	2.2
182.99625	10.2
185.77101	1.8
190.84912	1.4
197.01210	2.0
201.00848	13.3
202.01082	2.5
215.02243	2.2
217.04195	2.1
219.01968	36.7
220.02103	24.8
220.04126	2.5
225.00699	3.0
243.01939	24.6
261.03030	100.0
261.05768	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	243.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24963	2.6
54.17772	2.5
69.03460	2.6
146.91367	2.9
159.04384	7.3
169.06509	6.4
173.05957	7.2
186.64877	2.7
187.07623	3.5
197.05972	28.5
215.06958	26.5
225.05487	4.8
243.04721	100.0
243.06647	56.2
243.10310	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	243.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33352	4.4
57.03445	6.8
62.27439	4.5
65.11151	4.7
84.56013	4.1
103.66811	5.4
105.07053	7.2
106.97084	5.6
110.84866	4.9
115.38056	6.2
119.08514	7.2
123.04414	59.6
131.04926	4.9
133.06512	8.4
133.10144	5.5
137.05870	4.9
143.08607	5.9
147.04442	5.5
149.02379	37.3
151.07533	8.8
154.24706	5.4
159.04359	5.8
169.06477	20.4
170.62486	5.0
171.08078	37.5
173.06013	5.9
197.05965	55.8
197.09712	6.3
199.07594	7.4
215.07053	39.3
221.10632	6.6
225.05389	9.8
243.04448	100.0
243.07036	60.4
243.10204	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	243.0652
Annotation	Moracin M
Peak:m/z	Relative Intensity
55.05493	0.6
62.15451	0.4
65.03928	0.5
65.12733	0.4
68.99755	0.5
71.01303	0.5
72.94016	0.5
73.53775	0.4
81.07026	0.9
84.04523	3.6
84.17694	0.5
86.09703	4.1
87.24162	0.5
91.05453	0.5
93.06994	0.8
95.04909	0.6
95.08555	1.1
97.06462	0.5
105.06978	0.6
107.04916	2.8
107.08580	1.0
109.10159	0.6
119.08569	1.1
120.04408	0.6
121.02864	5.8
121.10098	0.9
123.04385	0.7
123.08035	0.8
125.09565	0.5
131.08539	0.8
132.10155	2.3
133.10115	0.8
135.07964	0.5
137.07059	1.7
141.06956	0.6
145.06496	0.6
145.10112	0.6
147.04378	2.0
147.08037	0.7
147.11674	0.9
149.02330	87.4
159.08034	0.7
161.09596	0.5
167.03345	0.9
169.06415	3.2
171.11676	0.8
173.05984	0.7
183.11555	0.6
187.07501	2.0
197.06004	5.6
197.13023	1.1
207.13870	0.6
215.07007	100.0
225.16362	0.8
243.06499	48.0
243.13690	1.8
243.17430	3.3
243.21120	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	243.0864
Annotation	Genipinic acid
Peak:m/z	Relative Intensity
51.49248	2.1
55.01876	4.5
55.25398	2.0
57.03441	32.5
61.02933	57.1
67.05513	5.4
69.03412	2.4
71.04979	10.6
73.02924	4.5
74.46931	2.6
77.61055	2.2
79.05503	4.3
81.03423	4.5
81.07043	4.0
83.01340	4.5
85.02901	4.7
85.06543	11.4
91.03959	23.2
93.07020	5.0
93.17482	2.1
95.04958	26.4
97.06532	78.2
105.07005	2.9
107.04951	4.9
109.06526	27.5
111.04408	3.0
113.06004	36.0
117.06999	3.0
121.06464	3.5
123.04440	32.0
123.08062	10.0
125.05994	10.8
133.06500	5.4
135.07976	4.0
137.05960	31.3
141.05441	10.1
149.05971	3.3
151.07544	33.9
153.05458	13.1
155.07034	35.2
163.07506	3.8
167.07048	19.6
169.06508	5.2
169.08557	4.9
179.06998	14.9
181.08582	38.2
197.06090	11.1
197.08070	88.7
215.07190	6.0
215.09053	7.2
225.05550	3.2
225.07587	16.1
243.06444	23.8
243.08656	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	243.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97004	0.7
54.29707	0.7
57.03191	0.9
57.03442	17.5
70.84216	0.7
74.72292	1.0
75.04472	7.2
88.54411	0.7
105.07023	12.9
119.08504	1.5
121.06521	0.9
121.10170	1.2
123.04422	100.0
133.06494	25.6
149.02312	1.2
149.06010	3.0
151.07536	39.8
157.18022	1.0
159.08018	1.4
161.05962	4.2
163.07564	1.7
169.08691	1.5
169.10011	0.8
173.05966	1.9
179.07016	1.6
183.11694	1.1
189.09131	0.9
197.01129	1.0
197.05951	7.3
197.08044	3.8
215.07069	4.6
225.05511	1.5
243.06500	20.4
243.13910	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	243.1381
Annotation	Methyl 5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
54.55160	0.8
55.05508	1.0
55.55231	0.8
56.96563	3.9
57.03429	1.2
67.41540	0.8
68.03543	0.8
69.03424	1.6
71.05019	0.7
72.16782	0.8
72.38985	0.7
81.03420	8.3
84.96011	1.2
85.02905	1.4
93.07019	1.3
95.04945	1.2
105.07030	3.4
112.23491	0.9
117.07074	0.9
119.08593	1.5
128.06201	2.1
129.06999	5.3
135.55531	0.9
141.06963	6.2
142.07779	19.5
143.08566	9.9
144.09271	1.5
145.10098	6.1
153.06966	2.0
154.07668	1.9
154.08788	1.5
155.08537	27.1
156.09361	8.1
156.63303	1.0
157.10124	100.0
159.11707	3.7
165.07008	5.8
166.07765	6.4
167.08583	10.8
168.09296	6.7
169.10132	22.5
171.08044	3.7
171.11685	5.0
173.05620	1.3
180.09343	4.0
181.10132	16.2
182.10902	28.5
183.08109	1.2
183.11711	12.6
192.09386	2.1
195.11696	5.0
197.13255	27.9
199.11234	6.5
207.11749	6.5
210.10294	1.5
215.14320	1.3
225.12755	7.0
227.69461	0.9
243.13795	81.4
243.17020	3.0
253.94659	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	243.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49568	3.2
55.01863	5.0
55.05507	26.9
57.03430	19.5
57.07075	15.4
61.02922	7.8
65.66400	3.6
67.05515	34.2
68.07058	3.1
69.03429	16.6
69.07066	72.0
71.04983	8.0
71.08620	8.9
73.02908	8.1
77.78846	3.2
79.05484	24.2
79.32606	3.8
81.03407	33.3
81.07047	66.2
83.04978	19.6
83.08614	15.2
84.42958	3.8
85.02888	14.4
85.06570	4.8
85.10165	6.1
91.05463	13.8
93.07045	48.6
95.04949	18.4
95.08582	42.4
97.02917	4.8
97.06524	8.6
97.10167	6.2
99.08071	17.1
103.03959	6.7
103.78716	3.7
105.07063	38.6
107.04948	9.2
107.08601	30.5
107.47660	3.6
109.06523	14.9
109.10164	30.2
111.04434	9.1
113.09594	6.4
115.03928	5.5
117.07024	5.5
119.08562	28.0
121.06515	5.0
121.10119	22.3
123.04456	4.1
123.08052	5.0
123.11713	26.2
128.42183	3.8
129.07065	5.0
131.08575	17.7
133.04977	4.8
133.06497	5.1
133.10123	20.3
135.07986	4.6
135.11667	20.2
137.13225	4.7
143.08545	17.0
145.10110	23.4
147.08093	7.6
147.11693	17.1
149.02341	38.5
149.99451	5.0
151.11174	6.8
153.12758	14.6
155.08580	16.1
157.10162	8.4
159.11641	16.4
161.09456	4.1
161.13258	5.6
163.11093	6.4
165.12724	14.6
169.10118	16.0
169.12259	4.3
171.11681	7.5
173.09634	15.0
173.13252	9.5
182.10881	4.7
183.11694	22.7
185.13249	9.2
187.11101	5.1
187.14778	8.0
189.12819	5.7
195.13672	6.1
197.05937	6.3
197.13271	19.0
199.14803	7.7
201.12622	6.9
201.16325	8.7
206.67792	4.6
207.13849	15.1
215.07045	42.0
215.17934	7.8
225.14581	5.3
225.16463	22.2
243.06458	40.3
243.10193	19.5
243.13892	38.8
243.17651	100.0
243.21036	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	244.0605
Annotation	Isokokusagine
Peak:m/z	Relative Intensity
73.86675	0.2
80.60258	0.1
88.71211	0.2
92.17950	0.2
112.84615	0.2
154.05003	0.3
170.06001	0.3
179.04710	0.2
188.06952	0.3
216.07352	0.4
226.04915	0.3
244.06038	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	244.0929
Annotation	Cytidine
Peak:m/z	Relative Intensity
64.82471	0.2
70.06579	1.0
72.08141	1.4
84.08123	0.4
91.38268	0.2
95.02446	1.4
112.05086	100.0
134.55972	0.2
166.09784	0.3
173.51442	0.2
226.11986	0.5
226.19055	0.3
244.07112	0.5
244.16484	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	244.118
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69335	1.0
66.24290	1.4
66.38269	1.1
67.32005	1.1
69.98746	1.4
79.05495	1.8
79.60111	1.2
83.01321	2.4
91.05477	21.4
93.07028	8.4
105.03395	1.4
107.08601	2.5
113.05981	1.3
117.06995	11.4
119.08559	14.7
121.06498	10.2
123.04415	1.5
133.16927	1.3
135.08046	18.8
137.09599	1.6
139.07582	4.9
145.06514	11.4
149.05981	9.3
151.03879	2.6
155.03470	2.1
163.07512	34.6
165.09088	6.1
167.03322	2.0
167.07062	1.5
173.06001	2.3
181.08533	5.3
191.07024	100.0
209.08089	44.1
211.25180	1.2
224.71222	1.3
227.09145	31.2
244.11780	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	244.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86750	0.9
57.48176	0.9
65.85014	0.9
67.05521	6.3
79.05495	15.0
81.07057	100.0
83.08630	5.4
90.86448	1.0
91.05473	26.8
91.06001	1.1
94.38894	1.0
95.31367	1.0
105.03410	1.3
109.06528	9.9
118.06538	60.5
119.04935	42.9
120.96572	1.2
126.09155	2.2
136.07570	97.2
145.22131	1.0
179.97859	2.0
194.37848	1.1
203.12053	0.9
227.44766	1.1
244.13319	30.2
244.17154	1.4
244.26508	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	244.1907
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.05507	6.5
56.56738	1.2
57.07066	6.1
58.91170	1.2
65.26308	1.1
67.05496	5.9
69.07063	10.8
71.08616	3.2
73.38937	1.5
79.05490	2.7
81.07051	20.5
83.08624	20.9
85.63173	1.4
86.06031	2.1
93.07037	9.0
94.74413	1.3
95.08596	17.5
96.08147	1.6
97.06525	6.6
97.10162	14.4
100.07631	7.0
107.08590	15.6
109.10158	2.1
110.09738	1.4
111.08058	3.2
114.09180	2.2
121.10125	11.2
124.11198	1.9
128.10683	1.7
131.08513	2.5
135.11699	2.3
138.12764	2.0
139.99454	1.4
163.14804	22.1
173.13249	6.3
176.63277	1.7
177.85051	1.3
180.17470	36.4
181.15871	9.6
190.16125	1.3
198.18527	9.1
208.16948	6.0
226.18004	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	244.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23267	0.3
57.07077	3.7
58.06354	0.5
58.06605	10.0
71.08620	2.4
72.08131	2.4
76.07645	8.8
79.36449	0.3
85.10210	0.4
85.12213	0.4
113.30133	0.4
139.00896	0.4
162.66068	0.4
174.76837	0.5
207.57387	0.5
209.89003	0.4
226.25267	3.7
244.12459	0.9
244.26344	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	244.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.0
58.06316	0.4
58.06604	10.9
70.75842	0.3
71.08633	2.6
72.08157	2.2
76.07640	9.5
85.10196	0.4
92.18565	0.6
93.16135	0.3
130.33095	0.3
133.29005	0.3
136.67920	0.3
202.58290	0.3
226.25250	3.1
234.52727	0.3
244.26329	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	244.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	3.6
58.06609	9.6
71.08620	2.5
72.08153	1.1
76.07643	8.0
85.10170	0.7
91.07082	0.6
97.54673	0.4
112.79041	0.4
175.43758	0.5
226.25237	3.4
244.26346	100.0
245.80838	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	244.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	3.5
58.06602	10.6
71.08620	1.9
72.08127	2.4
75.22636	0.4
76.07639	7.9
76.22942	0.4
83.73098	0.4
85.98275	0.4
110.54585	0.4
127.79461	0.4
132.98975	0.5
200.23723	0.5
226.25284	4.0
244.26335	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	244.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95277	0.3
53.65585	0.3
56.78815	0.3
57.07079	4.9
58.06351	0.4
58.06606	9.2
64.95464	0.3
69.42830	0.4
71.08621	1.5
72.08145	2.8
75.28205	0.3
76.07642	9.0
76.78690	0.4
81.37665	0.4
85.10157	1.5
91.59768	0.4
111.87245	0.4
125.62341	0.4
128.66199	0.4
138.91325	0.4
146.20561	0.4
155.49718	0.3
169.23824	0.3
189.12813	0.3
189.95688	0.5
226.25273	4.0
244.26335	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	245.0445
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
53.84016	0.2
59.63662	0.2
65.31956	0.2
67.45541	0.2
68.87000	0.2
72.10291	0.2
72.66631	0.2
86.09690	0.2
88.97413	0.2
107.37391	0.2
115.05479	0.3
147.94475	0.2
151.03928	0.3
162.61519	0.2
189.05458	0.5
199.03937	1.2
204.45418	0.3
217.04904	0.5
245.04440	100.0
269.96777	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.0
68.84137	1.3
69.03415	1.8
82.99876	1.5
90.40358	1.6
90.50752	1.3
95.41050	1.4
97.02890	3.4
98.97586	26.3
99.04445	1.5
101.00875	18.1
102.96857	7.5
106.28517	1.3
109.02837	1.9
113.00849	2.7
116.98600	10.4
119.01912	33.2
120.97890	2.3
124.54140	1.4
127.02408	3.0
127.03894	9.6
131.01923	10.0
137.03006	5.4
139.02394	2.8
143.01892	47.4
145.03447	14.1
147.01515	1.6
155.01840	9.9
157.03471	30.6
161.02950	73.7
167.01907	9.0
169.03435	6.2
171.05040	1.7
173.02966	19.0
175.04526	11.6
177.80177	1.4
181.03471	3.4
185.01312	3.7
185.02933	66.1
187.04543	11.9
191.03961	1.5
197.02936	15.8
199.02852	1.5
199.04465	12.5
203.02338	4.1
203.03990	39.1
204.05061	3.5
209.02954	2.4
215.03938	10.5
217.05545	2.5
219.04051	1.5
221.01736	7.0
221.05020	4.8
222.02026	1.6
222.06116	2.1
227.02216	2.2
227.04010	25.6
233.05136	2.1
244.98213	3.0
245.05064	100.0
245.11978	2.1
263.02856	24.5
263.06070	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	245.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95004	0.7
55.01876	3.0
75.69141	0.7
81.07048	1.1
86.09713	1.2
88.91439	0.8
93.07030	0.9
97.06515	6.2
100.32650	0.7
105.07040	0.8
107.08558	0.9
109.06542	0.8
112.58764	0.7
118.06512	1.6
125.09581	0.8
127.03947	0.9
130.06508	3.7
132.08087	29.4
140.19669	1.0
142.03204	0.8
142.06538	4.2
156.08040	1.9
156.12238	0.9
157.07616	3.3
158.08479	2.4
159.09167	100.0
160.07568	8.2
170.06013	1.3
181.07698	1.3
182.06036	1.1
183.09137	1.5
184.07568	15.1
185.07094	40.9
189.99216	0.8
197.08104	3.5
199.08734	0.9
199.11240	1.3
200.07007	8.3
201.10214	11.4
217.12326	0.8
227.08145	31.3
227.17982	1.0
245.04475	1.3
245.09346	17.1
245.11688	2.4
245.15617	1.4
245.18999	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	245.0955
Annotation	2-Hydroxychrysene
Peak:m/z	Relative Intensity
50.01025	1.1
51.66293	1.1
53.03910	1.0
55.05504	5.5
65.03936	5.9
67.05476	1.1
68.56551	1.0
69.03432	1.6
70.34764	1.0
80.57221	1.0
83.04987	13.6
84.04546	1.2
84.07652	1.7
84.08141	39.9
85.02894	1.1
86.99049	1.7
87.02702	1.3
91.05431	1.3
92.38585	1.0
96.08112	2.3
97.01118	1.9
97.02862	1.4
99.02681	39.9
101.06041	1.1
108.08116	2.4
109.02892	1.2
113.04166	2.0
116.00925	1.2
116.01678	9.9
116.05272	1.2
125.04203	39.8
127.03878	1.5
127.05781	1.4
130.04967	1.5
142.06854	43.8
142.08618	4.1
144.01141	2.1
153.03653	1.6
162.02177	6.3
170.06351	1.3
199.03979	1.2
199.09023	2.0
199.18097	1.6
228.06819	7.9
245.04381	20.3
245.09563	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	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
55.01865	1.5
56.80507	1.4
63.45272	1.3
67.05502	2.7
69.03419	6.6
81.03403	2.2
82.29858	1.6
83.04966	11.2
87.30147	1.5
91.05447	2.4
92.17824	1.7
93.07005	1.4
95.04967	2.6
105.07028	2.8
107.04958	6.5
107.08582	3.1
109.02902	2.0
109.06494	2.0
119.08549	3.6
121.06464	2.4
127.11171	2.9
131.08569	3.3
133.06456	7.4
133.10115	2.2
135.04437	2.5
135.08060	11.1
141.68266	1.7
143.08615	5.5
145.10031	2.0
147.07988	2.9
147.11580	2.2
148.08842	1.8
156.09352	10.6
157.10123	3.3
159.07997	1.9
159.11673	1.7
161.05939	13.4
161.09586	2.7
163.07422	2.5
166.07846	1.6
171.11687	13.1
173.09576	2.3
174.10341	1.7
175.07570	3.2
175.11172	9.5
176.08325	3.0
177.09088	1.5
177.12706	2.3
181.10085	6.4
184.08820	3.3
185.09607	7.1
187.07613	2.3
187.11244	6.1
188.08247	2.4
189.05406	2.9
189.12718	11.2
199.07352	2.0
199.11163	29.8
202.09882	3.2
203.10661	15.3
209.09692	3.2
212.08316	9.8
217.12234	22.9
227.10674	46.4
229.52069	1.6
230.09451	3.1
245.04396	1.9
245.08035	3.7
245.08928	3.1
245.11711	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	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
51.23800	0.9
52.18292	0.9
53.62677	1.0
55.01868	4.7
56.40187	0.9
64.99591	1.1
67.05491	1.3
68.99805	1.1
69.03413	5.2
70.76547	1.2
79.05491	1.2
81.07074	1.2
83.04980	13.4
86.54567	1.2
91.05472	2.3
92.39939	1.1
93.07045	2.6
95.04326	1.1
95.04933	4.1
95.08569	1.2
105.07067	8.1
107.04893	1.6
107.08564	4.3
109.02868	1.3
117.07014	1.1
119.04935	1.7
119.08610	4.3
121.06525	2.1
121.10129	1.2
123.04454	2.7
131.08568	1.5
133.06479	9.6
133.10083	2.8
135.08098	10.0
143.08607	4.0
147.08026	5.8
148.08769	2.3
151.03903	8.2
152.69308	1.1
156.09328	6.3
157.06525	1.4
157.10107	4.3
159.08057	2.5
159.11688	2.0
161.05971	10.3
161.09647	5.1
169.06474	1.2
171.11678	11.4
175.07510	9.7
175.11182	11.1
176.08183	1.6
181.10138	2.2
184.08795	7.1
185.09637	5.7
187.07530	1.6
187.11169	2.2
189.05458	2.2
189.09087	1.5
189.12737	10.5
197.15355	1.8
199.07524	1.3
199.11197	27.7
202.09930	2.0
203.07036	1.9
203.10683	14.0
209.09712	1.2
212.08276	12.5
217.12221	21.5
227.07095	1.3
227.10677	41.0
230.09311	2.4
245.04445	100.0
245.07947	7.9
245.11674	85.6
245.15489	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	245.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74273	0.8
51.61346	0.8
55.05518	1.8
56.05017	6.1
59.67070	0.8
71.04636	1.2
71.04993	32.5
73.06538	3.4
96.08406	0.9
102.05552	2.1
102.09158	1.1
103.63992	0.8
110.09675	4.4
112.05112	3.1
113.03484	3.8
113.05408	1.5
119.42472	0.9
124.39716	1.0
128.03381	1.1
128.10715	61.5
130.04973	5.0
146.56157	0.9
156.06561	6.0
158.08116	100.0
159.04848	1.0
175.10779	40.9
185.02930	1.0
245.04926	1.1
245.14943	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82700	0.2
59.19718	0.2
63.75955	0.2
67.05486	0.3
69.07072	7.4
83.04976	0.3
86.09704	100.0
87.99947	0.2
95.04945	0.2
107.04939	0.3
107.08624	0.2
110.41133	0.2
132.10150	1.8
151.03894	0.9
199.14883	0.3
199.18100	0.3
245.04449	3.5
245.08139	0.5
245.13519	2.7
245.18565	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	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
69.03419	0.4
83.04967	2.9
85.06544	1.9
86.09705	100.0
123.04423	0.6
132.10210	3.4
134.61000	0.4
136.35185	0.4
151.03923	1.3
197.68097	0.3
199.18108	1.3
245.04526	1.5
245.08191	1.9
245.12187	0.7
245.15244	0.5
245.18561	4.7
251.26205	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
57.07090	3.3
59.00803	1.7
67.05507	21.3
69.07061	13.0
70.83602	1.9
73.44445	2.3
79.05496	17.3
79.16232	2.1
81.07056	29.8
83.08619	4.1
83.33936	2.2
86.91283	1.9
91.05482	19.8
93.07041	21.7
95.08597	30.8
105.07060	14.6
107.08611	19.8
109.10154	8.4
119.08559	25.4
121.10137	34.0
123.11693	4.7
133.10120	33.5
135.11702	12.0
147.11690	27.0
149.13245	10.9
151.14890	2.9
161.13239	33.0
163.14784	18.2
168.16570	2.6
175.13464	2.6
175.14810	21.7
177.16350	3.1
189.16423	8.2
240.04192	2.1
243.64049	2.2
245.15297	3.7
245.22638	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	246.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31857	0.7
55.05239	1.1
55.05516	26.9
59.93599	0.7
62.46312	0.7
82.06570	3.3
83.04979	100.0
85.03172	0.8
91.05468	3.3
97.27484	0.8
98.79308	0.9
118.06516	9.2
118.80177	0.8
136.07616	0.9
141.89532	0.9
199.67299	0.9
218.11775	12.8
231.11472	6.1
246.11111	10.7
246.13788	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	246.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	32.1
83.04981	100.0
91.05483	1.0
100.27701	0.5
118.06530	10.8
136.07616	0.6
216.09392	0.7
218.11725	13.6
231.11629	12.0
244.80606	0.5
245.13110	0.7
246.11179	3.7
246.13956	10.9
263.13889	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	246.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52290	0.9
55.05514	12.5
58.78730	1.0
67.05526	1.3
71.08627	1.7
71.50774	0.9
81.07057	1.7
83.04491	1.7
83.04980	36.9
83.08624	27.1
85.06561	1.9
93.07025	1.5
95.08601	40.2
100.11258	6.0
102.05558	1.3
109.10168	5.7
110.06106	3.4
111.04438	95.7
118.12284	100.0
119.08577	5.4
123.08047	14.3
137.09610	19.8
142.56207	1.2
144.10124	1.4
147.08055	6.7
151.07520	1.3
162.44518	1.2
165.09099	24.7
183.10132	25.7
193.08595	1.4
210.14949	5.7
211.09654	34.6
228.15927	34.2
228.18001	1.8
229.10721	6.2
246.04678	1.9
246.08359	1.5
246.17023	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	246.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15051	1.5
56.72637	1.5
59.99306	1.5
67.75113	1.4
86.94007	1.4
87.08972	1.4
102.19893	1.6
113.41452	1.5
116.73193	1.7
168.34837	1.4
168.39754	1.6
215.08556	2.4
216.09383	11.3
217.10193	2.3
231.11662	92.4
245.13229	3.7
246.13998	100.0
265.44150	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	246.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
102.47419	1.2
128.69128	1.4
170.07024	1.6
171.08037	36.6
185.09642	5.1
215.08702	1.8
216.09366	14.1
229.12221	27.9
229.75687	1.7
230.10916	1.8
231.11664	78.8
231.98552	1.5
245.13193	8.3
245.57083	1.4
246.13994	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	246.1699
Annotation	alpha-5-C-(3-Hydroxybutyl)-hyacinthacine A2
Peak:m/z	Relative Intensity
51.87370	0.5
54.75781	0.6
55.05518	11.9
59.04984	1.4
67.05476	0.6
83.04980	40.9
83.05471	1.5
83.08613	21.9
85.06546	4.0
90.58273	0.6
100.11242	6.4
101.09647	1.1
103.66998	0.6
110.06052	3.5
111.04435	93.5
113.20319	0.6
118.12283	100.0
125.09701	0.7
139.73738	0.7
139.99295	0.7
144.10144	2.3
210.14917	8.5
215.24182	0.6
225.51115	0.7
228.15923	34.9
246.17050	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	246.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90945	0.4
56.96573	0.3
57.03431	0.3
57.07092	2.0
60.08168	5.6
65.15590	0.3
77.56398	0.4
80.44334	0.4
85.02908	100.0
87.25412	0.4
114.09142	0.5
144.10210	1.7
150.72571	0.4
157.01617	0.3
169.22350	0.4
174.28043	0.4
177.65114	0.3
187.07909	0.5
187.09634	16.3
246.04799	8.9
246.16989	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
53.68012	0.3
57.07072	1.8
60.08171	5.9
72.00177	0.4
80.22845	0.3
82.49746	0.4
84.53743	0.4
85.02905	100.0
85.35468	0.4
100.11266	0.6
122.19724	0.4
140.07925	0.5
144.10187	0.9
187.09654	14.7
212.36113	0.4
246.04785	13.5
246.16988	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68928	0.3
57.07078	4.1
58.72145	0.3
60.47937	0.4
70.06599	5.9
71.08640	1.4
71.23399	0.4
85.10160	1.0
88.07631	13.1
102.09177	4.8
106.08661	10.4
143.74121	0.4
202.21684	1.0
228.23225	9.9
244.02248	0.4
246.24265	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	246.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13742	0.5
51.57135	0.4
57.01218	0.5
57.07072	3.8
70.06585	6.7
71.08619	1.3
80.70100	0.6
85.10158	0.7
86.15092	0.4
88.07625	13.6
92.17883	1.0
102.09191	4.4
106.08668	10.1
117.81445	0.5
157.77429	0.6
228.23225	7.2
246.24252	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	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10818	0.4
53.57028	0.4
55.60219	0.3
56.55074	0.4
57.07063	3.2
57.44940	0.4
62.03550	0.4
62.06089	0.5
67.84548	0.5
69.43949	0.4
70.06588	6.3
71.08622	0.9
71.49725	0.5
85.10154	0.6
88.07627	16.4
93.84913	0.5
102.09190	3.5
104.17428	0.5
106.08665	9.7
119.28226	0.5
128.29593	0.5
146.47121	0.6
197.14688	0.6
202.21594	0.9
228.23206	8.4
246.24254	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	246.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16764	0.5
53.80268	0.4
56.86830	0.4
57.07076	3.6
70.06584	6.1
71.06052	0.5
71.08616	2.2
85.10128	0.5
88.07632	16.7
102.09159	4.5
106.08675	9.5
109.65845	0.5
155.92491	0.5
182.94019	0.5
188.56389	0.5
202.21660	0.9
228.23209	10.0
231.11636	3.1
246.14093	3.9
246.24260	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	246.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49360	0.4
50.75777	0.4
56.92290	0.4
57.07075	5.0
70.06595	6.5
71.08598	2.0
85.10176	1.0
88.07628	12.6
94.13229	0.4
102.09164	4.8
105.61295	0.5
106.08659	9.1
110.79985	0.4
202.21680	1.9
228.23210	8.1
246.24258	100.0
265.85883	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	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.9
70.06587	6.0
71.08620	0.8
85.10165	1.7
88.07632	13.0
94.71014	0.3
102.09190	3.5
103.75923	0.3
106.08672	9.5
137.52596	0.4
139.69044	0.3
202.21648	0.7
228.23224	10.6
246.24263	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	247.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	37.5
59.80415	8.2
62.53008	7.3
63.88958	7.4
71.01361	8.3
71.04980	11.9
74.63280	7.9
76.07020	10.0
81.03419	33.9
85.02897	13.2
85.97491	8.5
86.03681	60.6
86.09695	9.8
90.26791	8.0
99.04444	12.1
100.05225	41.4
109.02901	35.7
123.58855	7.5
127.03079	10.3
131.91400	8.0
157.03410	14.5
167.05391	10.2
172.04736	9.7
181.05167	9.1
182.99609	36.1
190.05841	10.7
197.06644	17.1
201.00697	14.3
206.07071	100.0
215.07576	93.0
235.06546	34.5
247.02124	50.5
247.07870	54.5
253.07732	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	247.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08123	20.0
75.74561	9.1
84.04503	9.1
91.33057	8.4
103.65510	9.2
162.91917	8.7
169.37367	8.5
212.86842	9.7
214.37395	12.2
215.07556	18.8
247.02293	70.8
247.07779	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	247.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.12973	0.3
55.05518	45.9
65.60473	0.4
72.57922	0.4
74.72378	0.4
76.33433	0.4
83.04981	100.0
84.05308	2.0
89.54587	0.4
158.21886	0.5
176.13097	0.5
180.43892	0.4
203.08514	0.7
217.10175	3.9
218.11037	0.6
219.11960	1.6
232.12431	8.8
232.88380	0.5
247.11214	1.6
247.14793	18.6
252.76891	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	247.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
54.93058	0.5
55.05518	51.0
55.41293	0.7
69.30776	0.5
83.04978	100.0
86.08885	0.6
95.08614	0.7
149.40080	0.5
184.03191	0.6
208.48657	0.6
219.27271	0.6
229.08630	0.6
232.12389	0.7
247.11029	2.6
247.14861	1.3
247.20450	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	247.0966
Annotation	Hassanon
Peak:m/z	Relative Intensity
50.23651	0.6
50.40517	0.7
51.37907	0.7
55.01867	3.3
55.98276	0.7
57.56555	0.7
57.60293	0.6
66.11995	0.7
68.99783	3.5
69.83514	0.8
70.26607	0.6
73.02905	1.6
73.06570	0.9
81.09268	0.8
89.85429	0.8
96.51892	0.8
107.04986	1.2
108.55277	0.7
111.00813	6.4
115.05468	1.8
117.07038	1.1
123.04395	0.8
129.06964	0.9
131.04904	0.9
131.08594	0.9
135.04385	1.0
137.02327	1.8
137.05942	1.6
141.07016	7.4
143.04897	4.0
145.06456	4.9
147.08066	1.5
155.04889	1.1
157.06517	1.8
159.04385	0.9
159.08051	1.8
160.05190	1.7
160.06676	0.8
161.06029	1.7
163.03891	7.3
163.07573	3.3
169.06453	14.0
171.04385	8.9
171.08076	1.2
173.05960	6.1
174.06799	1.6
175.07530	16.9
176.04713	0.8
177.09099	3.0
183.04384	3.1
183.08073	2.6
185.05995	1.8
186.06802	1.9
187.03941	1.0
187.07506	6.6
189.09190	1.2
191.06992	1.6
191.10689	0.8
196.05244	1.1
197.05939	10.1
198.06737	1.3
199.07523	9.4
201.05487	14.8
201.09062	15.6
203.07018	22.7
205.08492	1.1
211.07559	2.9
214.06213	1.2
215.07098	0.9
217.08580	1.4
219.06606	1.4
219.10107	1.8
229.04980	18.0
229.08546	20.7
229.46404	0.7
247.06006	100.0
247.09607	14.4
263.72226	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	247.1289
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05516	4.5
56.05049	1.0
56.96545	0.7
72.08155	100.0
83.04993	0.9
84.04504	64.9
99.04457	0.6
102.05528	3.5
118.08649	57.9
127.03938	0.7
130.05009	17.6
132.17709	0.6
142.05051	0.8
156.10175	9.2
184.09671	27.8
200.80890	0.6
201.00731	1.0
229.11859	0.9
230.10216	12.9
247.06075	1.3
247.12874	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	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
55.98919	1.6
59.47793	1.7
67.05485	1.7
67.15830	1.7
69.03424	13.3
69.07034	3.6
79.05461	3.7
81.07008	9.5
81.57254	1.8
83.04999	15.8
85.52475	1.8
90.87350	1.7
91.05441	3.9
93.06973	11.0
95.04910	2.2
95.08566	2.4
97.02866	4.3
97.06488	5.3
105.07019	15.0
107.08600	13.3
108.87193	2.2
109.02815	10.1
109.06437	8.6
111.04404	2.4
117.06960	3.8
119.08585	16.3
121.06501	13.1
123.07990	6.9
128.06093	2.1
131.08565	14.6
133.06506	5.8
133.10045	9.6
135.08066	22.5
137.05959	3.7
137.09531	4.3
142.07771	2.4
143.08583	16.8
144.09285	3.5
145.06427	4.4
145.10118	17.1
147.07928	7.0
147.11557	2.2
149.05942	3.8
149.09540	11.9
151.11096	3.0
155.08470	2.9
157.10010	11.9
158.10869	2.9
159.08025	16.7
159.11682	31.3
161.05864	8.4
161.09558	4.0
163.07558	24.2
163.11124	2.6
168.09293	3.0
170.10762	4.2
172.08783	7.8
173.03004	1.8
173.09584	23.6
173.13232	31.3
175.07433	9.2
177.05434	2.2
179.06938	8.1
183.11664	15.1
185.09557	3.3
185.13277	15.3
186.10284	11.8
187.07443	10.8
187.11165	65.0
189.08910	9.1
191.07031	23.7
196.08818	3.1
201.05415	2.2
201.12750	57.1
203.14438	5.8
205.04970	2.5
205.08423	8.0
205.12099	4.2
211.11049	11.5
217.10051	2.2
219.13750	4.4
229.04721	7.8
229.12209	67.8
232.12326	8.2
247.06134	21.5
247.13098	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	247.1329
Annotation	Aquatolide
Peak:m/z	Relative Intensity
50.19869	1.5
54.13776	1.5
57.07071	2.8
66.10427	1.6
67.05485	2.1
69.03418	3.1
69.07050	8.0
74.18899	1.5
75.85260	1.7
79.05466	9.0
81.07063	37.0
82.95798	1.8
85.06538	2.6
85.62318	1.6
88.74680	1.8
91.05446	10.6
93.07011	11.0
95.04936	2.6
95.08575	3.9
97.06490	9.0
105.07011	26.6
107.08561	10.6
109.06520	15.9
109.10157	3.0
111.08050	7.2
115.05416	1.8
117.06966	3.7
119.08592	16.3
121.06468	10.8
121.10119	3.0
123.04391	4.1
123.08036	9.9
125.05983	2.4
128.06166	2.2
131.08589	14.2
133.06459	8.7
133.10075	7.9
135.08038	15.4
137.05984	27.4
137.09605	2.9
139.07504	4.0
142.07742	3.5
143.08537	17.2
145.06447	3.9
145.10085	7.3
147.08017	3.7
149.05956	14.0
149.09578	6.8
151.07520	9.3
157.10030	11.1
159.08005	12.4
159.11688	14.0
161.05937	8.9
161.09579	12.9
161.13139	1.9
163.07524	30.8
165.09042	7.2
168.09262	3.4
169.10071	2.7
170.10956	2.4
173.06003	3.3
173.09549	2.9
173.13229	11.9
175.07498	2.6
177.05449	7.4
177.09079	27.5
179.06975	10.3
183.11696	15.3
185.09584	2.5
185.13251	18.1
187.07507	30.2
187.11137	16.3
189.09094	2.6
191.07007	7.8
201.05449	3.8
201.09068	10.3
201.12721	29.2
203.14278	2.3
205.08586	57.2
205.12187	19.5
211.11148	9.2
219.13722	7.0
229.04842	7.3
229.08665	2.9
229.12199	44.5
243.20020	1.9
247.05968	33.4
247.13214	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	247.133
Annotation	Fischeric acid
Peak:m/z	Relative Intensity
57.75793	3.2
59.57599	3.2
69.03413	17.1
76.66033	2.4
79.05481	3.1
81.07033	2.7
82.91088	2.7
83.04974	17.4
83.51360	3.0
91.05502	4.0
93.07039	4.9
95.05007	2.6
97.02900	3.6
105.07025	3.7
105.29884	2.5
107.08593	10.6
108.96781	2.6
109.02879	11.0
109.06518	10.1
119.08581	10.6
121.06493	10.2
121.10111	4.9
131.08586	3.5
133.10181	4.7
135.08080	25.0
137.09576	3.9
145.06462	5.9
145.10121	4.4
147.08086	3.5
147.89479	3.1
149.09567	21.2
157.10118	3.0
158.10980	3.8
159.08034	14.9
159.11633	29.5
163.07544	29.0
163.11148	3.3
165.09071	4.5
170.10881	4.6
172.08771	12.9
173.09610	22.5
173.13249	34.2
183.11627	9.4
186.10385	20.4
187.11179	100.0
191.07002	31.7
196.08675	3.5
201.12743	51.2
205.12189	5.2
211.11160	11.4
219.13719	4.0
229.12242	63.3
247.13228	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.01910	2.6
55.01870	7.3
55.05497	4.7
58.00173	3.0
60.72791	2.8
67.05499	11.7
69.03416	16.5
76.89845	3.1
79.05471	7.5
81.07068	5.4
81.34353	3.2
83.04980	24.4
83.74793	3.4
91.05478	12.7
93.07034	7.2
95.04969	30.2
95.08601	3.3
97.06528	11.8
105.07039	38.4
107.04942	4.1
107.08582	16.9
109.06523	24.9
109.10117	3.6
111.04436	13.4
117.07022	7.3
119.08561	24.8
121.02826	3.9
121.06483	14.4
121.10130	5.4
123.04427	3.7
123.08044	35.0
126.63972	3.2
128.06201	5.0
131.08566	21.2
133.06473	4.6
133.10136	7.3
135.08087	21.8
136.68700	2.9
137.02319	3.9
141.06961	3.7
142.07750	4.9
143.08617	10.5
144.09317	3.2
145.06464	11.8
145.10086	27.1
147.08037	15.7
147.11649	6.5
148.08800	4.1
149.09583	6.3
151.07555	3.9
155.08592	6.3
156.09294	10.5
157.10132	19.8
158.07246	4.6
159.08026	25.9
159.11632	31.4
161.09610	20.1
163.03935	4.0
165.09088	16.5
168.09346	6.8
171.08078	4.9
171.11700	7.0
172.08868	13.0
173.05913	6.0
173.09569	19.8
173.13174	20.9
175.07506	4.6
175.11180	18.9
183.11752	17.5
185.09621	5.4
187.03983	3.3
187.11159	25.1
189.09099	17.5
189.12756	3.6
196.08861	4.5
199.11191	32.1
201.05481	13.0
201.12769	34.8
203.10684	7.3
205.12296	4.9
211.11180	20.1
217.12279	16.1
229.04936	35.9
229.12202	27.9
247.05981	100.0
247.13239	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Populene A
Peak:m/z	Relative Intensity
50.54786	0.8
52.29580	1.0
52.87941	0.8
54.27317	0.8
55.05511	0.9
66.07565	0.8
70.90263	0.9
71.58083	0.9
84.36250	1.1
84.47250	1.1
104.13400	0.9
131.08574	1.4
141.07007	1.6
145.06477	46.9
159.08043	57.3
166.63165	0.9
187.07532	100.0
187.11121	17.4
191.15993	1.1
201.12767	7.7
205.08597	23.7
205.12202	4.1
217.10126	1.9
229.12248	5.7
232.12445	6.0
247.05956	1.1
247.12892	18.2
247.15195	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	248.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82028	0.5
67.02389	0.5
67.27180	0.5
72.17746	0.6
88.84552	0.6
109.06516	0.7
137.09628	2.8
143.57002	0.6
169.09976	0.5
169.33847	0.5
192.09323	0.7
193.10049	0.9
198.08141	0.6
203.08495	2.2
205.10091	0.9
206.10875	1.2
207.11794	1.1
207.13744	2.0
218.10881	10.7
219.11626	5.5
220.12387	1.0
232.12505	0.7
233.13223	84.0
247.14861	3.6
248.15562	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	248.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94820	1.3
71.08636	31.2
74.20476	1.3
91.05482	15.1
99.08082	11.9
105.07053	1.6
117.05738	8.5
119.04934	11.4
121.03071	1.5
132.08090	91.7
148.01930	1.6
150.09142	100.0
198.24913	1.4
218.07275	1.5
233.09612	1.5
233.13260	6.2
248.11926	3.0
248.16534	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1644
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.86106	0.8
58.30159	0.9
64.13158	1.0
71.08630	27.2
91.05478	11.9
99.08089	15.0
106.33169	1.0
117.05742	10.1
119.04927	11.7
132.08089	100.0
134.75337	1.1
150.09137	97.4
233.09570	4.6
233.19704	1.3
248.11871	6.1
248.16455	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19632	1.4
53.02956	1.2
55.05513	37.4
55.98635	1.3
63.32760	1.8
67.05499	1.5
67.56987	1.5
69.03452	1.9
69.07065	20.7
71.01376	2.0
71.04999	16.1
76.99432	1.5
81.03025	1.4
83.08620	100.0
85.06545	1.7
87.13887	1.5
88.03995	5.4
89.02372	2.9
95.08630	1.9
100.11240	15.8
101.09646	9.5
112.07604	1.5
113.05980	6.6
118.11474	2.9
118.12281	60.4
123.04405	1.8
144.10196	36.9
159.90112	1.5
165.68416	1.7
170.11662	5.1
179.36836	1.6
181.45216	1.5
187.78101	1.6
188.12784	11.7
202.05821	2.0
207.13754	3.0
212.16440	23.4
230.05296	3.7
230.17494	67.5
248.06282	25.0
248.13055	1.7
248.18517	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74036	1.0
55.05519	37.6
55.60070	0.9
56.19450	1.1
56.69163	1.0
59.05003	7.5
60.62011	1.0
67.05512	1.8
69.07072	21.7
71.01367	1.8
71.04995	15.9
80.16658	1.0
83.08623	100.0
85.06522	1.7
88.03987	5.7
89.02386	4.5
94.45329	1.1
95.04982	1.8
100.11271	15.1
101.09657	10.5
112.07603	2.5
113.05995	6.2
118.11477	2.5
118.12288	55.3
130.08647	2.1
142.12306	1.4
144.10205	43.3
147.11703	1.1
170.11765	5.9
176.54291	1.3
186.14899	4.8
188.12761	11.0
194.15549	1.7
195.35815	1.2
212.16454	29.5
230.17499	92.7
248.06335	5.5
248.16412	3.7
248.18562	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45024	40.3
51.78499	38.7
56.13827	42.3
59.85878	36.0
64.72392	45.0
93.13802	50.6
101.54300	49.0
116.14672	43.0
220.33508	45.3
249.03665	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36355	44.3
51.43781	38.1
62.41522	44.4
72.08137	81.2
84.84417	52.9
101.11460	49.8
170.50706	51.2
178.07585	52.0
249.03702	100.0
256.45126	53.1
268.62344	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08685	1.7
56.62344	2.0
56.96563	9.2
58.52380	1.8
64.72951	1.7
65.23460	1.6
92.18433	2.2
98.97579	34.4
101.00882	62.3
113.00880	3.4
116.98595	3.1
119.01918	90.2
124.99139	11.0
127.02425	7.6
131.00201	3.8
131.01920	13.9
134.99585	2.1
137.02989	12.1
143.00203	14.8
143.01894	81.6
145.03474	15.9
152.99658	2.9
157.03497	7.4
158.99672	2.5
159.01357	15.2
161.01521	4.4
161.02953	100.0
168.98074	2.4
170.99614	2.3
171.01349	9.3
173.01212	16.8
173.02950	9.3
174.00177	3.1
174.99223	2.4
177.02412	26.5
178.00473	2.4
183.00761	7.8
184.04477	2.4
185.01201	11.3
185.02852	4.3
186.99190	4.4
187.00978	7.4
187.99916	2.9
189.00783	3.4
189.02446	35.5
191.02327	2.5
191.03949	8.3
192.01187	3.4
196.01479	22.7
201.02475	10.9
202.01509	2.5
203.02306	4.5
203.04015	3.1
205.00137	3.2
207.03497	7.4
208.04512	2.0
219.03542	3.5
230.98128	2.9
231.01743	11.9
231.03555	7.7
240.02338	12.5
248.99371	2.7
249.02676	7.8
249.04787	30.4
266.46902	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	249.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21558	1.4
55.05505	2.2
61.63287	1.8
63.27530	1.3
67.05492	3.5
69.03400	1.4
69.07074	2.1
71.04987	9.5
71.08637	26.7
79.05493	2.8
81.03398	2.8
81.07052	6.7
83.08645	1.5
85.02927	2.2
91.05482	3.8
93.07039	8.7
95.08585	3.3
96.16531	1.5
99.08104	14.7
105.03374	3.5
107.08586	6.4
109.10172	4.0
115.05466	4.1
116.74733	1.6
117.07038	8.3
119.08582	2.7
121.10128	8.8
123.05545	7.9
127.11194	12.7
129.06989	3.3
131.04900	6.4
131.08543	11.3
133.06502	2.2
133.10141	3.7
135.11687	2.5
143.04935	2.0
145.06468	20.4
147.08063	2.8
149.09627	2.7
151.07613	2.9
157.06517	1.9
157.10138	2.5
159.04411	11.2
159.08070	9.6
159.36983	1.7
161.09659	2.8
173.05971	100.0
175.07561	8.9
176.04716	20.9
185.05934	2.2
185.13239	1.8
187.07521	25.2
189.05447	2.5
190.06306	2.3
191.07037	74.8
201.05482	2.0
203.07019	47.7
203.14389	2.9
213.05515	2.8
217.12794	25.1
231.06514	7.9
231.13861	3.6
249.07527	64.4
249.15927	76.4
249.18532	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	249.0757
Annotation	(-)-2,3-Dihydrocitromycin
Peak:m/z	Relative Intensity
53.03957	8.2
69.03432	17.8
69.59222	0.6
71.04996	1.3
79.05480	3.1
81.03421	94.3
95.04954	3.6
97.02882	7.5
99.04453	5.8
105.03392	100.0
109.02878	38.9
123.04392	5.2
127.03918	6.8
147.19658	0.7
234.14400	0.8
249.07559	46.6
249.14642	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	249.0757
Annotation	(-)-2,3-Dihydrocitromycin
Peak:m/z	Relative Intensity
50.93047	0.6
53.03742	0.7
53.03954	8.5
69.03423	16.0
71.04974	3.5
79.05479	3.3
81.03417	88.6
85.02876	1.3
88.23598	0.8
93.07019	1.2
95.04972	4.7
97.02873	5.7
99.04447	7.3
105.03388	100.0
105.06997	1.2
107.75073	0.8
109.02872	39.7
119.08530	1.3
123.04442	6.1
127.03893	4.1
131.08511	1.1
133.10153	0.9
145.10141	1.4
157.10078	1.6
159.11757	0.8
185.13327	1.3
189.64738	0.8
206.10896	1.1
207.11647	1.3
220.70728	0.8
221.13367	1.0
231.13776	1.8
234.10345	1.6
234.14064	1.0
249.07547	37.8
249.10101	1.8
249.12708	8.4
249.14548	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	249.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12474	0.6
72.04517	15.7
72.08154	1.0
85.02915	0.9
91.05451	1.5
98.97565	0.8
101.39135	0.8
109.02885	1.2
117.05793	1.5
118.05010	23.1
118.06502	9.9
132.08086	71.9
143.07286	1.0
144.08092	14.9
146.06006	83.0
159.09193	4.8
160.07600	1.1
169.32397	0.7
170.06007	4.2
175.07602	1.5
185.07091	4.2
188.07060	100.0
189.71593	0.8
203.08282	1.0
203.11806	3.6
230.89149	0.8
232.06070	0.8
244.67542	0.7
249.12376	15.7
249.15736	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	Periplanone B
Peak:m/z	Relative Intensity
54.31872	0.4
55.51744	0.5
58.99386	0.5
61.78634	0.5
63.07232	0.5
65.28368	0.5
69.07066	0.7
81.07063	1.0
84.46422	0.6
85.06517	3.2
92.17902	0.9
93.06965	0.7
95.08597	1.3
105.06979	0.8
111.08063	5.2
113.81325	0.6
119.04898	0.9
121.10201	0.7
123.04403	2.7
131.08531	1.4
133.06454	1.4
137.05959	16.0
140.68658	0.6
143.08540	2.7
145.06480	1.5
145.10081	0.8
147.04367	1.1
147.08018	4.2
149.06024	0.7
151.07530	1.3
157.06427	0.7
157.10123	1.1
161.05891	1.3
161.09550	0.9
163.07468	1.2
170.10869	0.8
171.08054	1.0
175.07526	5.5
177.16722	0.7
185.13315	1.5
189.09090	2.6
189.12695	0.9
213.12682	3.9
249.14821	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	249.1593
Annotation	Pindolol
Peak:m/z	Relative Intensity
52.83760	0.6
55.05502	1.5
60.31180	0.6
60.34186	0.7
67.05495	3.2
67.09797	0.6
70.43616	0.6
71.04990	0.8
71.08629	44.6
73.82491	0.7
79.05463	1.3
81.07040	1.6
89.88114	0.8
91.05463	1.1
93.07026	3.2
94.51842	0.7
95.08602	1.8
99.08090	21.5
100.90095	0.8
107.08588	1.5
109.06504	0.7
109.10151	1.3
117.07095	0.9
119.08576	1.6
121.10130	1.7
123.05552	12.4
127.11182	28.5
133.10059	1.4
135.11656	1.2
147.08112	0.9
157.10054	1.0
189.16397	0.8
203.14415	0.8
205.84959	0.7
231.17311	1.0
249.15976	100.0
249.18286	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	249.1596
Annotation	Pindolol
Peak:m/z	Relative Intensity
50.83376	0.4
67.05498	1.3
69.03423	1.2
71.27721	0.5
74.32065	0.5
75.93946	0.6
81.03408	0.8
81.07058	0.7
81.53403	0.8
85.06544	1.1
91.05447	0.8
92.18494	0.7
92.36817	0.5
92.85415	0.5
93.07027	0.6
95.04985	0.9
95.08597	8.8
96.08914	5.9
103.05423	0.6
105.03391	0.9
105.07042	0.8
106.07346	0.9
107.08594	3.9
108.08900	3.2
109.06516	0.8
119.08562	3.5
120.08887	2.4
121.10120	1.0
122.10387	1.8
123.08035	3.4
124.08378	2.7
124.12051	0.6
131.04909	3.0
135.11699	0.8
138.09969	0.7
147.11639	1.0
148.09979	1.1
148.12027	3.1
149.05986	0.6
149.09612	5.4
150.09967	8.0
161.10719	5.7
161.13274	0.7
162.11458	5.0
162.13591	3.3
165.09184	0.6
165.12814	1.0
166.13106	2.7
175.10831	0.7
187.12346	0.7
188.13042	0.9
189.12714	1.2
190.13095	5.2
199.15549	0.6
203.15436	41.4
207.13768	3.0
208.14128	12.1
231.14905	100.0
249.15961	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07053	1.1
82.57078	0.8
88.64019	0.8
93.07026	0.9
95.32767	0.8
105.07040	11.7
107.08623	1.4
119.08582	6.0
128.06233	1.1
129.06996	4.8
142.07771	3.6
143.08565	14.2
149.78564	0.9
155.08434	0.9
157.10136	14.4
165.06912	1.0
169.10141	1.5
171.56448	0.9
178.07797	1.1
179.08548	5.0
181.10072	1.1
191.08604	0.9
192.09377	9.4
193.10132	16.3
194.10902	4.5
195.11662	1.0
205.10153	4.0
206.10915	10.5
207.11711	26.1
208.12524	1.3
219.11659	13.7
220.12463	11.1
221.13257	13.8
234.10385	1.6
234.14040	26.8
249.12729	9.9
249.16380	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	249.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63257	0.4
56.54975	0.5
60.04945	0.4
69.07063	1.1
76.66904	0.5
76.67372	0.4
79.05492	0.4
91.05452	0.9
102.30620	0.5
105.07024	2.3
107.08599	2.1
119.08523	0.7
129.06972	2.8
143.08562	2.5
155.08539	2.6
157.10118	2.0
170.10887	0.8
171.11670	0.6
178.07964	0.5
179.08511	2.6
181.10132	0.8
191.08557	0.7
192.09331	5.9
193.10127	12.1
194.10938	2.1
195.11673	0.9
205.10181	3.4
206.10939	5.7
207.11673	25.2
208.12424	1.2
219.11684	15.7
220.12488	9.6
221.13257	9.4
232.12604	0.6
233.13206	1.1
234.14014	25.6
249.16362	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	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.37383	2.6
55.05503	14.4
65.36193	2.7
67.05497	23.9
67.89378	2.6
69.07066	24.2
71.04984	3.9
72.16607	2.0
76.41730	2.3
79.05489	65.9
81.07044	26.3
83.08605	12.9
83.09442	2.3
91.05460	25.4
93.07036	100.0
95.04965	5.1
95.08604	31.1
97.10084	2.5
105.04463	2.7
105.07020	24.2
107.08588	49.8
107.54941	2.4
109.06507	3.0
109.10165	10.6
117.07047	4.1
119.08570	21.2
121.10136	72.0
129.07008	4.9
129.64534	2.3
131.08534	4.5
133.10121	26.9
135.11694	31.4
137.05933	4.8
137.09639	2.8
143.08511	5.5
145.10059	5.3
147.11679	19.2
149.09624	2.5
149.13309	12.0
157.10123	6.1
159.11685	4.9
161.09608	4.5
171.11598	2.6
176.09447	3.5
185.10118	2.7
189.16362	4.4
206.10925	4.1
206.41702	2.9
207.11679	12.6
213.16324	5.2
219.11674	4.6
220.12466	5.3
221.13237	4.8
231.17386	4.4
234.14055	18.8
249.12669	5.0
249.16313	40.8
249.18523	60.7
249.69221	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
54.44161	1.4
55.05511	14.0
56.59245	1.5
56.74933	1.5
62.24832	1.6
62.95238	1.8
67.05508	23.0
69.07065	21.3
71.04985	2.0
73.51854	1.6
76.55661	1.6
79.05048	2.7
79.05490	70.2
80.08958	1.4
81.07050	37.6
83.05001	2.2
83.08591	9.3
85.06534	3.2
86.18003	1.9
91.05477	25.3
92.17803	3.2
93.07034	100.0
95.04963	3.3
95.08595	29.7
98.95827	2.0
101.06034	2.3
105.07038	26.4
107.08588	54.5
109.06519	2.6
109.10155	15.0
119.08551	21.0
121.10130	58.0
129.06975	3.2
131.08534	8.3
133.10123	32.4
135.08003	2.5
135.11679	52.7
136.63678	1.9
143.08528	2.4
145.10089	8.4
147.11676	33.4
149.09596	3.1
149.13214	14.1
157.10028	1.7
159.11609	2.8
161.09555	6.8
161.13214	4.0
171.11646	8.0
175.11122	3.2
179.08408	2.1
179.10648	2.3
189.12683	3.5
189.16356	10.7
193.12189	2.9
206.10875	3.1
207.13762	4.0
213.16325	8.7
216.09427	2.3
221.13313	2.9
231.17386	9.9
234.10289	8.8
249.09064	3.4
249.12711	39.4
249.18454	84.5
250.37296	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	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05516	3.3
57.03417	1.6
59.79441	1.3
60.26529	1.2
67.05501	31.7
69.07062	7.9
79.05489	40.6
81.07056	31.2
83.08618	17.0
85.06522	2.0
91.05470	24.2
92.18542	1.9
93.07039	65.1
95.04964	1.7
95.08601	30.8
97.06507	2.0
99.08117	3.4
105.07021	9.4
107.07935	2.4
107.08596	38.6
107.09277	3.1
107.36037	1.4
109.06448	1.9
109.10139	10.6
111.08084	3.1
117.07014	2.7
117.25052	1.5
119.08569	17.9
121.06364	1.4
121.10137	94.5
123.08035	3.4
123.14304	1.4
125.09606	2.6
131.08577	10.3
133.10115	20.1
135.08051	3.4
135.11691	32.3
137.09615	20.4
145.10115	3.2
147.11667	10.2
149.09615	10.2
149.13327	2.3
151.11156	10.3
153.09076	8.6
157.10039	2.1
161.40923	1.4
163.11220	2.4
167.10652	2.4
171.11671	2.4
177.26976	1.5
181.12386	1.6
185.08475	1.4
187.14833	1.8
192.09262	1.5
193.10170	3.3
194.92946	1.5
203.17978	6.0
206.10924	3.0
207.11627	5.9
213.16402	11.0
219.11667	7.2
220.12492	2.6
221.13205	3.5
221.19063	1.5
231.17494	10.8
234.13962	14.9
249.12758	9.1
249.16278	33.4
249.18512	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	249.1848
Annotation	Madolin L
Peak:m/z	Relative Intensity
55.05484	0.4
57.05990	0.3
61.01773	0.4
67.05496	1.6
69.07066	0.5
79.05478	0.5
81.07034	1.6
93.07028	0.8
95.04409	0.6
95.04969	11.9
95.08591	1.6
97.06497	0.7
100.61954	0.4
105.06996	1.5
107.08567	1.6
109.06503	2.1
115.93089	0.4
121.06511	0.7
121.10118	0.5
123.04397	2.4
123.08004	0.5
123.11726	0.4
131.08562	0.7
133.10089	0.8
137.05977	6.1
137.09589	0.5
161.09637	0.4
211.77417	0.4
234.13713	0.7
249.18471	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	249.1848
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
57.07077	24.8
63.28599	1.0
64.32085	0.9
87.58070	1.1
100.29693	1.1
103.08857	1.0
114.04512	1.1
116.38453	1.0
133.08406	1.1
137.05974	15.2
151.50114	1.1
193.12233	80.0
197.72865	1.0
209.90234	1.0
249.12958	3.1
249.18480	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
54.95479	5.6
55.05497	11.1
57.07092	7.4
65.03944	14.5
66.67036	7.2
67.05498	13.6
69.07069	64.1
79.05491	43.8
80.17104	6.1
81.07038	34.5
82.48071	6.5
83.08607	29.4
91.05474	9.5
93.03372	27.4
93.07049	58.9
95.08601	37.6
97.06515	26.6
97.10159	9.5
105.07019	13.5
107.08617	83.6
109.10151	38.7
113.14893	7.0
119.08582	46.5
121.06533	8.5
121.10137	44.2
123.11703	42.1
125.05978	78.4
131.08577	7.6
133.10104	57.4
137.05920	9.3
139.07539	9.3
147.08008	26.8
147.11685	15.7
149.13263	42.9
151.07477	7.5
153.09090	10.2
159.11627	7.6
161.09538	12.1
189.16460	49.8
199.14861	24.9
217.15895	28.6
249.16312	10.0
249.18481	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	250.1437
Annotation	Peyophorine
Peak:m/z	Relative Intensity
55.05523	1.1
57.88510	0.6
57.89063	0.6
59.69438	0.6
64.06916	0.7
67.05503	1.3
71.08634	54.8
90.84348	0.8
99.07487	1.2
99.08097	28.0
124.03923	10.5
127.11192	28.9
142.49263	0.8
156.14279	0.7
250.14363	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	250.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77799	0.6
65.18721	0.5
67.50188	0.6
80.25832	0.6
83.55909	0.7
91.05397	0.6
95.22574	0.6
123.58825	0.6
129.06961	1.4
130.07843	0.5
157.10121	0.8
179.08545	4.8
180.09361	0.7
192.09329	0.7
193.10130	10.0
194.10898	5.1
195.11685	0.9
206.10902	3.4
207.11670	15.9
208.12476	12.1
209.13248	5.7
220.12444	8.0
221.13225	17.8
222.13985	5.9
235.14798	96.0
249.16457	4.5
250.17134	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	250.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81693	0.6
57.50011	0.5
73.55083	0.6
89.60551	0.6
90.63439	0.6
90.64086	0.6
129.06995	1.1
143.08527	0.9
147.23849	0.6
167.05434	0.7
167.08455	0.8
179.08519	6.3
181.10075	1.1
183.83463	0.6
192.09311	0.8
193.10114	10.9
194.10878	3.6
195.11707	1.2
205.10219	0.9
206.10883	3.4
207.11656	13.2
208.12431	9.1
209.13213	6.4
220.12468	6.9
221.13220	14.1
222.14020	5.4
235.14783	87.5
249.16432	4.0
250.17123	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	250.1801
Annotation	N,O-Didesmethylvenlafaxine
Peak:m/z	Relative Intensity
57.33153	0.5
61.30169	0.7
64.11784	0.7
67.07182	0.6
67.72736	0.7
74.56958	0.6
80.05035	1.2
81.07034	1.2
84.04501	7.7
93.07052	1.2
95.08607	1.1
96.04482	2.9
107.08566	0.9
108.04475	16.9
108.08105	0.9
109.10157	1.6
109.38667	0.7
110.06039	3.3
112.03241	0.8
112.03972	15.9
121.10177	0.8
122.06045	0.7
123.11697	18.8
124.07598	2.9
136.07588	4.9
138.09148	0.9
149.13214	9.7
150.09180	1.6
158.83218	0.7
162.09137	4.6
164.10690	2.5
167.14282	1.0
176.10675	2.4
191.90108	0.6
232.16951	24.0
233.48050	0.7
250.17999	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	250.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33865	3.6
57.13974	3.7
63.17224	4.3
65.89477	4.2
72.08152	7.5
74.51801	4.0
85.20991	4.2
89.95087	4.1
94.92999	9.8
96.92815	19.0
98.97595	9.0
124.99088	5.2
157.01759	5.0
161.01469	3.7
179.40884	4.7
233.03305	4.4
250.97174	100.0
251.04320	20.9
269.05417	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34179	0.6
53.78233	0.6
55.34591	0.6
56.96565	5.9
72.01742	0.7
74.76940	0.6
90.97777	0.7
98.97584	100.0
103.35016	0.8
112.99120	4.1
116.98622	17.9
128.98607	5.4
131.00162	24.9
134.99678	1.1
143.00154	5.5
146.99638	4.5
149.01216	17.1
155.00078	5.5
161.01210	4.7
167.02269	3.1
169.62704	0.8
173.01184	1.6
191.02258	21.3
209.03328	37.8
227.04405	3.8
251.04358	23.9
269.05490	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	251.055
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
55.14621	0.3
59.05012	2.3
63.43679	0.3
69.45863	0.3
79.05500	0.3
81.06976	0.3
82.19751	0.3
83.47053	0.3
83.88265	0.3
90.27694	0.4
107.08540	0.6
121.02863	0.6
153.01814	6.0
177.05449	5.2
192.04181	5.3
205.04947	22.5
210.15681	0.4
233.04362	0.5
251.05478	100.0
254.41905	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	251.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53519	0.8
64.47716	0.8
70.02938	4.5
72.04512	0.8
81.04545	11.8
83.69439	0.7
91.89328	0.8
98.02417	17.1
102.09183	3.3
105.07042	14.1
108.05627	1.8
112.16158	0.7
114.05527	1.9
116.03458	13.5
118.43755	0.8
120.08101	100.0
122.07148	16.9
123.07931	9.0
124.08709	7.7
127.55491	0.9
131.04939	7.5
134.09665	9.3
163.03865	1.7
164.07098	4.1
178.08563	3.3
191.07132	0.9
206.12833	1.1
220.09662	1.1
223.15517	13.7
233.10217	1.6
233.15523	1.1
233.28256	0.9
248.87387	0.9
251.05368	1.4
251.15031	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41005	0.9
70.02969	1.7
74.02453	3.6
76.10893	0.9
81.04093	1.4
81.04547	34.1
98.02419	14.0
102.09176	11.1
105.07024	10.7
107.06116	0.9
110.07185	1.7
116.03452	10.7
120.08103	67.9
122.07148	51.2
123.07940	24.9
123.87559	1.1
124.08707	24.7
131.04936	6.4
134.09653	18.8
142.14775	0.9
164.07095	5.5
165.10170	1.7
168.64226	1.0
184.61720	1.2
206.12900	5.6
223.15532	55.7
241.81950	1.2
243.72748	1.1
251.15051	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	251.1642
Annotation	Sch 725434
Peak:m/z	Relative Intensity
56.86341	0.6
58.37743	0.7
58.54718	0.7
72.29438	0.9
85.05331	0.8
86.88964	0.8
93.07006	1.1
95.08575	4.5
105.07063	1.3
107.08576	1.9
119.08569	15.3
121.10101	3.7
125.05941	0.8
131.08516	1.3
133.10115	9.5
135.11690	1.0
145.10118	8.6
147.11661	4.1
159.11670	3.2
161.13329	1.0
163.07518	0.9
187.14828	13.8
189.16403	1.7
205.15915	3.5
223.59047	0.8
233.15483	0.9
251.16386	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	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05515	27.4
57.03426	4.2
67.05508	86.4
69.03419	4.6
69.07073	26.9
71.04978	5.2
79.05494	52.4
81.07062	100.0
81.70067	2.9
83.04964	4.2
83.08629	25.1
85.06530	5.5
91.05492	59.7
92.18610	6.4
93.07047	54.5
95.04968	5.2
95.08600	85.3
97.02883	6.7
97.06534	24.9
97.10141	6.8
98.98468	15.2
99.08076	5.1
101.06002	11.8
105.07034	27.9
107.08589	47.7
109.06534	7.5
109.10148	45.7
111.04403	5.3
111.08080	15.3
117.07016	14.8
119.08553	40.3
121.06528	3.9
121.10132	55.1
123.08041	5.1
123.11696	3.9
129.06989	12.7
131.08551	43.5
133.10118	49.3
135.08072	7.3
135.11703	38.3
137.09615	12.8
137.13280	3.6
143.08551	5.2
145.10100	44.4
145.96629	5.3
147.08060	15.9
147.11691	23.4
149.09619	23.4
149.13271	6.4
151.11197	7.4
155.08501	6.4
159.11641	24.1
161.13321	5.1
163.11165	3.5
163.97755	3.9
169.10106	12.2
171.11678	35.2
173.13219	39.8
186.99315	5.6
187.11227	4.5
187.14796	45.5
189.12689	14.7
195.11702	3.8
197.13261	42.0
205.15782	4.4
207.13800	5.3
208.12469	4.1
209.13341	5.3
215.14293	57.0
215.17969	17.7
223.14722	3.3
233.15356	75.4
233.19052	13.0
236.11987	6.4
251.10635	4.5
251.14185	18.0
251.16023	33.8
251.20111	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Lychnosalicifolide
Peak:m/z	Relative Intensity
51.68476	1.2
52.19539	1.2
53.42873	1.3
57.03429	1.3
62.23799	1.1
67.05482	5.9
68.04440	1.2
69.07037	6.7
79.05490	2.4
81.07069	11.1
91.05452	2.8
93.06984	7.9
95.08633	11.3
97.06490	9.3
97.10116	2.0
105.06981	6.6
105.07668	1.5
107.08532	8.8
109.10188	9.7
111.08023	1.5
111.11652	5.9
117.06931	1.8
118.08276	1.4
119.08521	7.6
121.10135	12.4
123.11687	12.7
125.09583	2.4
131.08502	6.2
133.10085	6.9
135.04376	1.8
135.07962	6.0
136.46356	1.5
137.05904	3.0
137.13202	3.0
139.07463	1.5
139.11209	15.7
143.08412	1.9
144.32791	1.4
145.10112	10.6
147.08029	2.2
147.11646	10.2
149.05949	5.9
151.07521	1.5
159.11635	2.5
161.13219	1.9
163.07491	3.3
163.11060	1.5
173.09558	2.7
176.24825	1.6
177.08987	5.7
179.08208	1.9
181.10095	1.6
187.14818	13.6
189.16229	1.8
195.11526	2.9
205.15785	7.1
209.13181	5.5
215.14157	8.1
223.14766	1.8
233.15385	10.6
251.10527	5.1
251.16278	100.0
262.13345	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	251.164
Annotation	Lychnosalicifolide
Peak:m/z	Relative Intensity
55.46567	1.7
55.99039	1.9
56.26551	1.6
57.07079	4.4
61.02791	1.6
65.42249	1.7
67.05487	7.9
67.83679	1.6
69.03425	2.5
69.07047	4.1
79.05489	3.6
81.07060	18.5
83.08573	2.2
91.05458	11.3
92.18517	4.0
93.07030	18.9
95.04947	3.2
95.08585	37.5
105.07020	16.9
107.08579	22.0
109.06488	2.7
109.10148	16.0
111.04405	2.7
113.05974	3.7
116.70666	1.8
119.08572	11.7
121.10130	42.1
122.10930	10.8
123.11701	15.3
125.20293	1.8
129.12126	1.9
131.08542	14.7
133.06517	2.7
133.10133	13.3
135.04416	4.4
135.11676	2.2
137.05980	2.7
139.11223	2.3
145.06458	2.0
145.10062	19.9
147.11707	10.0
149.05945	13.9
149.09561	2.8
151.07542	7.0
157.10153	2.0
159.08031	3.2
159.11664	3.5
163.07520	9.1
165.06999	2.7
167.08548	2.4
169.10144	7.8
171.94078	1.9
177.09108	18.1
179.08559	6.6
180.09372	4.4
181.10083	11.2
187.14832	21.9
191.10649	3.6
192.09358	2.6
193.10130	8.7
194.10925	4.6
195.08099	2.3
195.11656	17.4
205.10077	3.1
207.11633	3.6
208.08830	7.9
208.12401	7.5
209.09607	14.6
209.13148	15.0
215.14259	9.3
218.11023	3.2
221.09717	7.5
222.10326	7.6
223.11203	23.8
223.14810	11.8
233.09615	3.5
233.13248	6.8
233.15359	3.8
236.08186	6.9
236.11949	32.2
247.59331	1.9
251.10666	61.6
251.14195	84.0
251.16461	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	251.1793
Annotation	Aikupikanyne A
Peak:m/z	Relative Intensity
55.05501	1.2
57.07057	4.3
65.40074	0.6
65.44051	0.7
67.05499	1.7
67.46516	0.7
69.07043	1.0
70.30399	0.7
71.46310	0.6
79.05485	0.7
83.08620	3.4
90.43802	0.7
91.05458	1.0
95.08588	4.0
98.72511	0.8
105.03394	1.4
105.07050	1.1
107.08572	4.0
109.10151	1.5
117.07049	0.9
119.08508	0.9
129.07034	1.3
131.08543	3.0
143.08556	1.3
145.10086	3.8
155.08546	4.5
157.10097	4.9
165.06964	5.9
166.07753	1.2
167.08543	8.0
169.10101	3.6
171.11678	3.0
179.08534	5.2
180.09328	4.3
181.10118	13.3
183.11716	1.9
193.10114	8.8
194.10893	7.0
195.09991	1.6
195.11690	33.8
196.12492	1.6
197.13243	1.1
207.11620	10.7
208.08754	0.7
208.12486	9.2
209.13232	42.6
210.13922	1.1
221.09702	0.8
221.13202	12.2
222.14006	8.0
223.11247	1.2
223.14778	8.4
236.11906	4.4
236.15547	16.0
244.19684	0.7
251.10672	4.7
251.14256	15.9
251.17932	100.0
261.19843	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	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03928	2.8
53.28553	2.6
53.50086	2.4
55.05506	18.9
58.28098	2.5
60.40752	2.4
67.05169	4.0
67.05507	83.4
69.07076	25.0
79.05499	42.8
81.07059	100.0
83.08617	30.3
86.06249	2.9
91.05492	21.8
93.07045	46.4
95.08603	97.3
97.06516	19.3
97.10154	17.5
105.07024	7.4
107.08596	53.1
109.06530	4.2
109.10154	54.0
111.08089	5.8
119.08568	13.1
121.10137	55.1
123.08118	3.6
123.11681	7.5
125.09653	4.1
131.08572	4.8
133.04338	3.8
133.10121	33.1
135.11711	34.7
137.09630	7.0
139.11185	4.5
145.10110	6.7
147.11722	5.3
149.13240	14.7
159.11642	5.7
173.13281	5.7
188.74867	3.7
215.17960	20.7
233.18988	18.4
244.87917	3.5
251.14333	5.8
251.17766	4.4
251.20074	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.04124	2.7
50.53321	2.7
51.15842	2.3
55.05501	13.7
67.05502	88.1
69.07067	24.1
70.81775	2.4
73.31688	2.6
79.05479	42.5
81.06586	3.9
81.07056	100.0
83.08613	45.3
89.74457	3.1
91.05463	27.5
93.07038	54.5
95.08585	95.2
97.06512	30.2
97.10152	5.4
105.07015	12.6
107.08597	35.9
109.10140	44.6
111.08077	29.9
114.22630	2.8
114.90769	3.1
117.06928	3.5
119.08549	19.0
121.10130	78.1
123.11690	14.0
131.08533	5.4
133.10114	41.1
135.11685	39.5
139.11171	3.5
145.10110	6.3
147.11681	11.2
149.13242	11.6
151.11185	6.5
159.11694	11.3
188.95584	2.7
195.11711	3.9
215.17892	31.6
233.19028	19.1
236.11943	5.0
251.14301	13.7
251.17783	6.3
251.20050	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61123	0.3
63.57596	0.3
70.02937	0.5
87.00818	2.3
87.83990	0.4
92.17896	0.4
103.05490	2.7
104.03442	0.4
107.04948	0.4
118.06539	6.9
119.04893	0.5
120.08101	100.0
122.64941	0.4
131.04959	0.7
136.06187	2.0
146.06018	17.6
163.75310	0.4
166.08621	2.1
170.18768	0.4
179.28366	0.3
188.07066	24.2
192.06462	1.3
193.00349	0.4
199.95671	0.4
206.08118	51.1
234.07623	1.5
251.06265	0.4
252.08694	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	252.1091
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
51.56358	0.2
54.39927	0.2
59.32566	0.2
71.04980	0.9
73.02901	1.0
76.81915	0.2
81.03423	0.2
96.24989	0.2
99.04469	1.7
117.05489	4.6
118.95567	0.2
119.03568	0.3
136.06183	100.0
252.10916	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	252.1227
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
57.18766	1.7
71.04993	22.3
88.07625	32.1
91.05472	67.1
106.06551	2.8
118.06541	4.2
119.04932	100.0
134.09613	13.4
136.07579	9.2
147.03290	3.9
147.04408	83.3
153.86842	1.9
165.05469	2.8
182.08083	26.2
183.09540	2.1
189.05371	2.8
207.06573	3.0
240.59204	2.2
252.12398	23.9
252.14697	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	252.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77412	0.9
81.00975	1.0
91.05476	17.0
119.04937	100.0
133.06494	4.1
134.09628	15.0
147.04398	83.2
149.48964	1.0
150.35400	1.5
165.05441	1.8
170.89885	1.1
189.05476	4.1
192.64189	1.1
207.06563	4.6
210.11209	1.8
212.31190	1.3
252.12289	20.2
252.14658	2.3
252.18269	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	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91623	1.3
57.03438	2.5
67.05492	2.6
81.07070	1.6
82.07368	1.6
83.87859	1.7
88.07081	3.0
88.07626	86.3
91.05480	53.9
117.00610	1.6
119.04933	100.0
119.08495	1.5
120.08047	6.1
131.00175	2.5
132.08134	2.0
133.06462	2.6
134.09628	19.8
145.96672	3.0
147.04399	93.0
149.01169	2.1
165.05356	1.9
187.97664	2.0
189.05408	6.2
196.09633	3.0
205.98802	12.1
207.06491	2.4
210.11372	1.8
220.10381	1.9
252.12398	24.4
252.14731	4.7
253.44890	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	252.1231
Annotation	3097C2
Peak:m/z	Relative Intensity
58.63876	0.7
64.87996	0.8
75.41241	0.8
90.40697	0.9
91.05470	15.3
96.61223	0.9
119.04935	100.0
133.06476	3.7
134.09660	15.3
147.04401	99.3
165.05470	4.1
189.05457	5.2
207.06595	5.7
210.11183	2.0
252.12285	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	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.7
59.91194	1.7
63.74847	1.7
71.04995	34.1
88.07629	55.6
91.05481	100.0
93.99980	1.8
106.06541	7.3
115.79049	1.7
118.06524	7.8
119.04935	59.1
129.86015	1.7
134.09651	1.9
136.07559	13.9
147.04387	39.7
149.23138	1.7
182.08112	36.4
196.06065	7.1
200.21925	1.6
205.98763	6.9
206.11783	3.5
224.09258	2.6
252.12444	13.1
252.14610	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	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39460	0.3
67.44528	0.3
81.07063	2.0
94.04073	0.4
98.50855	0.4
119.04942	1.5
126.86404	0.4
133.22392	0.4
136.06180	100.0
146.09682	0.4
147.04388	3.0
148.04796	0.5
170.00493	0.3
234.13474	22.0
252.14520	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54081	3.7
55.20025	3.4
58.34387	3.4
62.70957	3.8
75.90041	5.1
92.70439	4.3
110.90316	4.7
183.31581	4.4
199.32480	4.6
253.00812	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	253.0707
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
51.69426	0.6
55.01858	2.8
57.03428	0.9
61.02929	6.7
65.03934	0.8
67.05495	1.2
68.64832	0.6
69.07054	0.9
69.81841	0.7
71.04966	3.7
76.28004	0.7
79.05479	0.8
81.03400	0.8
81.07050	0.9
83.08605	0.9
85.02888	8.7
87.04443	1.0
91.05468	2.6
93.07018	3.4
94.10973	0.6
95.01308	3.2
95.04944	1.1
95.08591	4.4
97.06519	4.3
97.19555	0.7
98.73687	0.7
99.04440	1.2
105.07007	1.4
107.04986	1.3
107.08585	1.3
109.06540	1.0
109.10116	3.0
111.00777	3.0
111.08050	0.9
117.06995	0.7
118.19707	0.8
119.04892	3.2
119.08577	0.9
120.05299	1.6
121.02859	100.0
123.08087	1.2
125.33571	0.7
133.06448	1.6
134.09546	0.8
135.08038	1.2
136.06184	3.6
137.05821	1.4
137.09587	2.9
147.04408	10.6
148.04730	3.4
151.28755	0.8
157.10110	1.3
158.77243	0.8
161.05930	0.8
164.96404	0.7
165.05490	1.4
175.02472	1.0
175.03886	20.9
175.11159	1.0
177.45863	0.7
182.10742	0.7
189.05458	9.8
189.12729	0.9
193.04948	27.7
205.04953	23.0
217.04929	9.9
217.12230	1.0
221.12270	1.3
235.05911	3.2
235.13239	2.9
253.07024	35.6
253.12425	1.3
253.14835	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	253.097
Annotation	CHEBI:68112
Peak:m/z	Relative Intensity
55.13363	0.3
67.05473	0.5
68.53818	0.3
78.22607	0.3
79.05463	0.3
81.07004	1.2
88.68977	0.3
91.05479	7.1
93.07012	0.5
95.08542	1.4
104.04996	0.4
105.07011	0.6
107.08531	0.3
109.10055	0.6
119.08520	0.7
128.19301	0.3
129.06871	0.4
131.08553	0.4
133.10046	1.1
143.08582	0.6
145.10092	0.6
147.11670	1.2
155.08545	1.8
157.10085	1.3
159.11673	1.2
165.06969	0.4
167.08504	0.4
169.10164	2.5
171.11679	0.6
173.13184	0.4
175.05009	100.0
179.08553	0.4
181.08388	0.3
181.10062	0.7
182.10820	0.5
183.11673	3.7
185.13239	0.5
192.09293	0.7
193.10149	0.7
195.08084	0.5
195.11717	0.6
197.09595	0.7
197.13281	4.0
207.11681	0.6
209.09604	0.6
209.13292	0.5
210.06770	0.5
210.10379	0.6
210.14133	0.5
211.11205	1.4
211.14803	1.9
220.12575	0.4
223.11159	0.6
224.12032	0.5
225.12787	2.6
225.16360	1.5
235.11209	0.8
235.14951	0.7
238.13556	1.2
253.09750	40.4
253.12218	5.6
253.15897	12.2
253.19537	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	253.1069
Annotation	CHEBI:70192
Peak:m/z	Relative Intensity
93.07010	1.4
95.04984	1.0
95.08604	2.0
105.07050	1.8
107.08594	1.8
117.07035	1.3
119.08559	1.7
121.06496	1.1
121.10130	4.9
123.08057	0.8
128.06226	1.1
129.07011	6.9
131.08580	4.4
131.39871	0.8
133.10129	3.9
137.05974	100.0
143.08589	1.4
145.06471	2.0
145.10188	1.1
147.08080	0.9
147.11655	1.5
150.81523	0.8
155.08549	1.0
157.06474	15.8
159.08034	1.3
161.09613	1.0
161.13237	1.0
167.04971	1.1
169.10114	1.3
174.06750	4.7
175.07515	1.3
175.14833	0.9
183.11650	1.3
185.06018	0.9
186.06699	1.0
189.09093	24.4
189.16368	1.1
191.07001	1.6
191.08640	1.3
192.09239	0.9
193.10098	2.9
195.08058	1.0
197.09573	1.1
197.13264	3.5
199.07509	4.7
199.14702	1.1
202.06320	1.0
205.08444	1.0
207.11703	4.1
210.10480	1.8
211.11211	3.9
217.08554	13.4
217.15866	1.2
225.12679	4.7
235.09567	46.6
235.16949	1.5
238.09737	1.4
246.68672	1.0
253.12369	15.9
253.17882	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	253.1221
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
50.87522	1.0
55.01857	1.6
55.05528	1.2
59.85331	1.0
60.41508	0.9
69.03423	1.7
71.13498	1.0
71.27948	1.0
91.05484	1.9
91.63643	1.1
105.07040	1.9
107.04924	1.4
119.08566	1.4
129.06920	1.6
131.08553	1.4
141.07001	4.9
141.18860	1.2
143.08542	2.5
145.06555	1.5
153.06982	1.3
155.08591	9.7
156.09288	1.9
157.06537	1.6
157.10097	1.5
159.08078	1.6
165.06978	5.4
166.07726	2.0
167.08566	4.0
168.09291	1.7
169.10081	13.2
171.08023	1.2
173.05974	1.1
174.47185	1.2
178.07736	4.9
179.08519	5.8
180.09326	5.0
181.10100	9.5
182.10889	6.7
183.08083	5.8
183.11646	11.5
185.13304	1.1
191.08530	4.4
192.09309	20.6
193.10112	6.4
194.10811	1.1
195.08028	5.7
195.11719	5.2
196.08823	6.5
197.09674	7.6
197.13278	10.3
205.10117	2.4
206.10887	2.4
207.08078	1.3
207.11693	20.9
208.08865	6.0
209.09592	9.8
209.13179	1.2
210.10399	13.6
211.07793	1.5
211.11183	22.9
220.08853	8.1
222.10362	1.7
223.11200	4.9
224.11842	1.7
225.12692	31.0
235.11212	16.7
238.09944	7.6
253.12234	100.0
253.15825	19.1
253.19377	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	253.1223
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
51.13443	1.6
55.01862	2.0
63.38421	1.5
67.05510	2.4
69.03419	7.3
69.07040	2.8
71.41785	1.4
79.05491	1.8
81.03456	2.1
81.07047	1.8
85.27485	1.5
85.35197	1.7
91.05477	8.4
93.07045	9.3
95.04955	2.3
105.07014	6.8
107.04960	2.2
107.08573	1.9
119.08558	6.8
121.06489	4.2
121.10146	2.3
121.52875	1.9
131.08516	1.9
133.10150	2.6
141.06996	3.5
142.07729	2.6
143.08563	4.1
145.06506	3.5
153.06992	2.6
155.08565	27.2
156.09273	2.7
157.10156	9.4
161.05937	6.7
165.06970	10.3
166.07748	16.2
167.08536	9.1
168.09363	8.6
169.10081	15.7
171.08080	3.4
171.11592	2.7
178.07805	2.8
179.08534	7.5
181.06407	2.3
181.10100	29.9
182.10915	10.5
183.08020	11.1
183.11684	20.5
191.08638	2.6
192.09299	21.4
193.10138	28.0
195.08049	14.9
195.11693	7.5
196.08838	10.0
197.09616	12.1
197.13249	26.0
202.07614	2.0
207.11679	29.8
209.09567	14.3
210.10423	25.5
211.07617	2.6
211.11179	22.7
211.14717	2.9
217.10204	1.7
220.08829	7.7
223.11172	3.6
225.09200	3.5
225.12720	54.8
235.11166	11.2
238.09927	10.9
238.13513	2.0
248.93996	1.9
253.08412	3.3
253.09172	3.0
253.12234	100.0
253.15732	15.7
253.19421	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	253.1221
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
61.33293	1.1
67.05509	1.4
69.03418	1.3
89.29122	1.3
91.36600	1.2
117.07008	1.8
129.06923	1.8
141.07018	1.5
145.06439	1.5
146.07253	2.2
152.22694	1.6
153.10516	1.2
155.08539	6.6
156.09268	1.2
159.08000	1.6
165.06996	2.2
167.08528	1.3
168.09317	1.7
169.10118	9.6
178.07777	5.8
179.08598	10.0
180.09303	2.2
181.06454	1.6
181.10107	1.6
182.10916	3.0
183.08018	4.8
183.11690	5.6
191.08652	1.3
192.09251	10.3
193.10146	5.8
195.08136	9.2
196.08804	7.3
197.09590	11.4
197.13277	6.0
202.07719	1.7
207.11665	14.0
209.09596	5.4
210.10344	13.4
211.11177	39.4
217.10162	1.3
220.08820	5.2
223.11197	2.3
224.11937	1.4
225.12733	64.3
235.11172	15.8
238.09834	8.0
253.12216	100.0
254.03233	1.4
273.90094	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	253.1224
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
53.45712	0.5
55.05500	0.5
57.07051	0.5
67.05487	0.9
69.03413	3.7
69.07037	0.6
75.52671	0.6
76.47351	0.7
77.43966	0.5
81.07046	1.4
82.62544	0.6
83.08612	0.7
89.38711	0.7
92.17901	1.4
95.08605	0.7
100.42397	0.6
105.07036	1.5
110.28228	0.6
117.06988	1.1
141.06956	3.0
142.07912	0.6
143.08585	1.0
145.06511	2.4
145.10112	1.3
146.07245	1.3
153.06989	1.0
154.07759	0.8
155.08534	7.8
155.80157	0.7
156.09270	1.2
157.06577	0.7
157.10075	0.9
158.07225	0.7
159.08148	1.2
165.03915	0.6
165.05379	0.6
165.06956	2.8
166.07713	1.1
167.08531	3.4
168.09291	2.4
169.02348	0.7
169.10109	8.1
171.11653	0.8
178.07693	5.7
179.08568	6.7
181.10132	2.9
182.10918	3.0
183.08060	3.6
183.11700	5.8
184.08795	0.8
191.08609	0.8
192.09354	6.6
193.10095	5.4
195.08061	4.9
195.11674	0.9
196.08827	7.3
197.09572	13.4
197.13240	9.4
207.08449	0.6
207.11694	14.3
209.09558	4.8
209.13342	0.9
210.10403	12.1
211.11165	32.4
211.14784	2.8
212.08472	1.0
217.10101	2.3
220.08833	4.6
223.07440	0.7
223.11174	1.0
224.11980	0.7
224.15781	0.7
225.12730	60.6
225.16209	1.6
235.11205	12.5
235.14758	0.7
238.09959	9.1
253.12215	100.0
253.15694	3.8
253.19443	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	253.1223
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.01852	1.1
55.05505	0.7
58.90016	0.8
60.82248	0.8
61.79465	0.8
64.15304	0.7
67.01886	0.7
69.03407	1.7
69.07040	1.6
79.05487	1.4
81.07071	1.8
92.18515	2.0
95.08633	1.1
105.07014	1.1
109.10190	1.4
141.06970	1.3
143.08514	1.0
145.10141	1.3
153.06987	1.2
155.08572	6.6
159.08095	1.1
159.11685	1.5
163.97762	0.9
165.06937	1.3
167.08601	1.2
168.09349	1.1
169.10152	6.9
178.07753	2.2
179.08539	7.2
181.10127	1.8
181.56303	1.1
183.08034	1.8
183.11687	6.7
192.09363	7.1
193.10110	5.9
195.08072	4.4
195.11707	1.7
196.08769	7.6
197.09634	12.0
197.13298	7.5
202.07761	1.2
207.11705	11.1
209.09587	1.9
210.10419	12.6
211.11186	34.6
211.14751	4.5
212.08382	1.3
217.10080	1.8
219.08044	0.9
220.08823	4.6
223.11095	1.1
225.12743	62.9
235.11226	9.7
238.09814	7.6
247.71703	1.0
253.12219	100.0
253.16026	8.2
253.19507	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1224
Annotation	6-Hydroxy-7-methoxy-1,2-dimethylphenanthrene
Peak:m/z	Relative Intensity
50.91205	1.2
54.14939	1.1
55.01880	1.9
56.75061	1.2
56.96562	1.2
57.54951	1.3
69.03412	1.7
71.73947	1.3
81.03422	17.3
81.07066	1.7
85.95998	1.3
91.05497	6.3
93.07024	2.6
95.04952	3.0
95.91986	1.4
105.07042	3.2
115.56506	1.6
119.05005	1.5
129.06967	2.8
131.08566	35.6
132.96390	1.4
133.06471	2.2
134.09656	11.6
141.07002	2.2
143.08514	6.5
145.06531	1.6
146.34222	1.5
153.07050	2.0
155.08536	17.8
157.10103	3.3
159.07986	2.9
165.07002	2.8
166.07768	2.3
167.08551	3.6
169.10130	10.5
171.08012	2.9
176.92819	1.4
178.07785	1.9
179.08478	3.2
180.09343	1.9
181.10118	12.4
182.10907	9.8
183.08049	9.7
183.11661	7.8
185.09578	1.7
189.00729	3.2
192.09325	18.3
193.10234	10.0
194.08777	1.5
194.10802	1.6
195.08037	8.7
195.11746	2.5
196.08820	5.6
197.09642	7.6
197.13232	13.2
201.06537	1.7
207.01720	2.1
207.11700	25.3
209.09546	13.6
210.10379	16.3
211.07578	6.1
211.11212	9.5
220.08826	6.3
223.07600	2.0
223.11165	1.8
225.12740	39.7
235.11139	15.6
238.09851	7.4
242.06844	1.5
253.12187	100.0
254.81642	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	253.1223
Annotation	Effusol
Peak:m/z	Relative Intensity
55.01869	3.9
55.05527	1.4
57.03417	1.0
57.07045	0.9
57.87339	0.8
63.89498	0.9
66.13624	0.9
67.05512	1.0
69.03416	1.7
69.07055	1.4
79.05472	1.3
81.03408	1.4
81.07045	4.6
83.04956	1.1
91.05439	2.2
93.07023	9.7
95.04948	1.8
95.08585	4.1
98.49079	0.8
105.07052	6.7
107.08616	1.8
109.10138	2.3
117.07001	1.1
119.04955	1.8
119.08572	5.4
121.06501	2.3
121.10166	4.0
129.07005	1.3
131.08546	1.8
133.06467	2.3
133.10123	2.3
141.06999	1.7
142.07755	1.5
143.08559	2.0
145.06480	8.8
145.10069	1.5
147.04393	2.3
155.08551	12.8
157.06502	1.8
157.10121	2.2
159.08060	1.3
159.11668	1.1
160.05133	1.3
161.05928	1.3
161.13268	1.1
165.06923	3.8
166.07771	2.3
167.08562	3.7
168.09375	1.0
169.10115	8.2
171.08040	4.3
171.11757	0.9
173.05965	6.1
175.14804	1.4
179.07050	3.5
179.08591	4.9
180.09346	1.1
181.06500	1.8
181.10060	7.0
182.10922	6.2
183.08057	12.9
183.11668	4.8
192.09348	16.6
193.04996	1.4
193.10095	5.9
194.07422	1.2
195.08017	10.2
195.11723	4.0
196.08824	6.8
197.05994	1.7
197.09657	9.4
197.11668	1.2
197.13235	11.4
202.07805	1.2
205.06499	1.9
207.11676	15.5
208.08875	1.0
209.09561	7.2
210.10399	12.9
211.07558	10.2
211.11194	9.3
212.08405	1.2
217.10083	1.8
217.15897	1.1
219.08144	1.4
220.08829	15.1
223.11201	2.1
224.08286	9.6
225.09114	3.8
225.12697	23.9
235.02312	1.2
235.05962	1.1
235.11160	43.5
235.16940	1.8
238.09862	7.8
253.12224	100.0
253.19707	2.1
273.30142	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
55.05500	2.7
57.03452	2.1
61.02918	2.8
69.03417	8.8
73.02892	1.7
73.06554	100.0
80.47850	1.5
81.03413	3.0
85.02906	59.5
91.07591	3.5
95.43484	1.5
97.02875	8.7
97.72767	1.4
99.04451	3.3
103.58817	1.5
107.07278	2.3
109.02898	2.5
124.08694	2.7
127.03905	11.1
134.09665	7.0
143.08643	1.7
145.04955	8.0
146.47943	1.8
225.17162	1.9
253.11998	7.7
253.16112	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12033	0.9
54.20246	0.9
55.01859	1.6
55.05509	5.7
57.03439	2.7
57.06519	1.0
59.06121	1.1
61.02926	8.3
61.70136	0.9
69.03436	14.6
71.04982	1.4
73.02916	2.2
73.06552	38.4
79.05479	1.8
81.03411	4.8
84.08137	1.2
85.02901	100.0
87.04470	1.7
88.03999	10.9
91.03946	2.5
91.05503	1.6
91.30405	1.2
97.02882	24.3
98.97569	2.0
99.04494	2.3
103.03948	1.4
105.06567	8.7
107.04278	1.3
107.04954	24.6
107.35497	1.1
109.02861	13.4
119.04908	2.1
120.08103	11.7
123.04424	1.3
127.03892	22.5
136.07561	4.9
137.05984	1.8
145.04964	20.9
147.04390	4.3
149.06000	1.6
155.04620	1.4
163.05989	2.0
165.05450	2.0
177.36662	1.2
179.07051	2.6
193.09691	1.3
205.09816	1.4
207.11290	5.2
235.10777	2.2
253.08841	1.7
253.11726	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.3
56.96571	1.8
57.03439	3.2
58.68571	2.0
60.26182	2.2
61.02919	3.0
69.03419	13.5
69.13439	2.0
71.04972	2.3
73.02915	4.0
73.06557	54.4
73.94168	2.3
75.11649	1.9
81.03426	4.3
82.99506	2.4
84.08140	3.3
85.02386	4.1
85.02904	100.0
86.49181	2.1
95.08592	2.6
97.02878	20.2
98.97550	3.2
99.04441	4.4
107.04936	3.1
109.02856	11.0
113.23621	2.0
120.08102	67.9
121.05087	3.3
127.03902	17.6
136.06168	41.9
137.06606	49.3
145.04961	12.5
191.97693	2.0
207.07614	2.7
207.11432	2.3
235.09647	4.4
253.08685	2.7
253.11800	11.6
253.15588	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	253.1434
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
53.03917	0.7
55.01875	9.5
55.05495	6.0
57.03422	4.3
67.05177	1.0
67.05505	24.2
69.03398	5.4
69.07070	7.5
71.04984	1.0
79.05499	9.7
81.03389	1.9
81.07059	24.7
83.04999	6.4
83.08605	1.7
85.06510	3.8
91.05477	26.5
93.07027	12.3
95.04945	2.2
95.08572	4.2
105.07026	19.8
107.08590	25.2
109.06460	3.7
109.10147	46.5
113.05981	1.5
119.08548	3.6
123.11691	10.3
127.07479	2.0
133.10124	64.5
143.08466	0.9
148.04713	0.9
151.11169	28.6
161.09583	4.0
169.12212	4.6
179.10583	1.3
195.11613	1.4
197.11501	1.1
207.11635	1.4
210.10324	1.1
211.14847	1.5
225.12669	1.9
253.12154	5.8
253.14272	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	253.1434
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
50.47568	0.9
54.01366	0.9
55.01878	6.9
55.05517	6.8
57.03425	6.1
61.14483	0.9
67.05507	27.6
69.03414	3.8
69.07066	9.6
71.04971	1.9
74.22274	0.9
79.05494	12.6
81.03403	5.4
81.07058	25.0
83.04974	8.1
83.08599	4.1
85.06514	3.9
91.05483	28.8
93.07050	13.5
95.04939	6.2
95.08604	7.8
97.06508	2.4
97.10159	1.0
99.04446	1.7
105.07034	23.2
107.08597	24.2
109.06484	2.3
109.10149	40.4
110.62180	1.1
113.05992	1.4
117.06966	1.2
119.08555	4.6
123.11687	9.6
127.07558	1.8
128.06221	1.1
129.11353	1.0
131.08510	1.2
133.10127	63.2
133.11151	2.1
135.08035	1.1
143.08545	2.2
151.11185	25.8
161.09593	6.7
161.13330	0.9
165.06831	1.1
169.12204	3.8
179.10649	3.8
183.11763	1.4
185.13548	1.0
197.09616	1.6
197.13330	1.9
207.11621	2.1
211.11168	1.9
217.19386	1.2
221.11154	1.4
225.12682	6.8
235.11047	1.5
238.09792	1.7
253.12102	11.4
253.14314	100.0
253.19531	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	253.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05516	1.0
57.07068	0.6
67.05502	2.1
69.03420	0.8
69.07055	2.6
69.97833	0.5
79.05508	1.0
81.07067	2.0
83.04989	0.8
91.05466	1.0
92.63326	0.4
93.07070	1.6
95.04972	0.6
95.08595	2.1
97.06531	1.9
98.98438	0.6
105.07022	2.9
109.10166	1.0
117.07005	1.0
119.08574	3.0
121.06512	0.7
121.10144	0.6
123.08099	1.0
123.33755	0.5
129.06989	1.1
131.08566	1.0
133.06549	1.9
133.10135	1.9
141.06967	1.9
142.07785	0.7
143.08548	3.7
145.06445	0.9
145.10097	2.6
145.48395	0.6
148.17064	0.5
153.06956	0.7
155.08548	9.3
157.10109	3.1
159.08109	0.9
159.11708	1.0
161.09663	0.5
165.06908	1.0
166.07864	0.6
167.08546	2.9
169.06512	0.5
169.10103	11.0
169.11429	0.6
171.08057	2.7
171.11729	2.6
173.09660	0.7
178.07777	0.7
179.08566	2.8
181.06503	0.8
181.10121	5.7
182.10944	3.4
183.08026	5.8
183.11668	11.9
185.09563	1.2
185.13266	0.9
192.09364	3.7
193.10124	6.5
194.10939	1.0
195.08018	4.6
195.11691	8.6
196.08728	3.7
196.12434	4.0
197.09599	8.8
197.13263	9.1
199.11148	0.6
205.10086	1.1
206.10898	2.3
207.11676	10.1
208.08864	0.7
208.12552	0.8
209.09618	8.6
209.13168	3.9
210.10387	9.7
210.14014	6.3
211.07539	2.0
211.11186	19.4
211.14671	6.0
212.11848	0.7
220.08858	2.9
220.12450	5.5
223.11183	14.0
223.14740	1.0
224.08366	0.7
224.11961	3.9
225.09140	1.8
225.12743	19.9
225.16273	10.2
235.11211	9.0
235.14816	8.5
237.12831	0.6
238.09949	8.0
238.13498	15.8
253.12241	56.8
253.15863	100.0
253.19421	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	253.166
Annotation	Hexazinone
Peak:m/z	Relative Intensity
56.96559	2.7
59.21709	2.1
59.43093	2.0
60.04521	3.5
67.05502	2.4
74.24306	2.1
81.04540	23.7
86.09724	4.3
88.27930	2.2
88.73444	2.3
103.10188	2.2
104.10736	15.6
105.07012	2.8
110.07165	9.6
119.04975	2.4
120.08097	3.7
121.52556	2.5
122.07154	32.7
123.04462	3.1
124.08717	60.5
127.94172	2.6
131.08595	2.8
147.04454	3.2
169.10115	2.9
171.11674	2.7
177.11270	3.3
189.00710	5.4
189.12907	2.8
192.09302	4.8
195.78569	3.2
197.13243	3.9
204.45570	2.4
207.01706	2.9
207.11661	4.9
225.17116	60.9
235.11107	4.3
253.12581	19.8
253.16544	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	253.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30319	0.7
55.05493	0.8
56.91785	0.7
57.07082	32.4
65.06297	0.6
65.93671	0.6
67.05494	1.2
69.03411	0.8
69.07080	1.8
69.11960	0.8
79.05498	1.0
81.03413	1.8
81.07066	1.5
86.09616	0.7
91.05492	0.8
93.07039	1.0
95.04978	7.7
95.08604	1.9
97.02892	17.9
98.98478	0.8
99.04454	5.9
105.07056	1.9
105.34226	0.8
107.08585	3.6
109.10175	1.6
113.06000	3.1
116.43462	0.7
119.08608	1.8
121.10123	1.1
123.04427	16.8
131.08607	1.4
133.10129	5.5
137.09631	4.2
139.07497	0.9
141.05470	68.7
142.16418	0.8
143.08565	1.3
145.10158	3.5
147.11676	0.9
151.11168	7.1
155.08574	4.2
157.10159	1.3
159.11690	3.4
167.08595	0.8
167.73286	0.9
169.10133	9.6
171.11693	4.5
178.07648	0.9
179.08672	1.3
179.10663	26.8
181.10112	1.4
182.10912	3.3
183.08078	1.6
183.11674	12.6
185.13229	2.8
192.09276	1.6
193.10194	1.5
195.08076	0.9
195.11726	1.4
196.08806	1.2
196.12521	1.1
197.09785	4.6
197.11719	100.0
197.13292	10.3
207.11743	3.5
209.09656	2.8
209.13243	1.3
210.10402	3.2
210.13986	1.2
211.11159	13.0
211.14720	6.4
224.11946	0.9
225.12727	18.3
225.16408	3.7
235.11218	3.3
238.10004	1.5
238.13629	1.2
238.17117	1.2
253.12251	31.4
253.15726	8.4
253.17728	8.8
253.19522	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	253.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20581	1.9
55.05521	3.6
58.54012	2.1
60.10540	1.9
63.66504	1.8
67.05511	3.4
69.07059	5.1
81.07064	5.1
82.56103	2.2
82.58738	2.3
83.08607	8.9
83.10577	2.3
88.05730	2.1
91.05456	2.8
95.08597	15.6
105.06998	4.4
109.10159	14.0
119.08572	14.7
121.10149	2.9
123.11701	3.5
131.08527	3.8
133.10101	4.6
143.08556	9.8
145.10107	13.8
147.11742	2.7
155.08560	11.1
157.10104	11.8
159.11671	4.7
162.24115	2.4
168.09367	2.3
169.10118	21.8
171.11649	9.0
183.11696	26.7
183.36302	2.5
195.11784	3.9
196.87146	2.2
197.13223	30.0
209.13269	2.9
210.14030	4.3
211.11177	3.3
211.14708	18.6
253.12158	5.3
253.15811	8.1
253.19475	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	253.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.1
57.07072	1.6
58.27334	0.6
60.08338	0.7
63.62793	0.9
65.65634	0.8
67.05496	4.2
69.07060	7.2
79.05494	1.2
81.07069	6.3
83.08605	4.2
91.05478	3.4
93.07047	3.7
93.83497	0.8
95.08599	10.7
97.10136	1.5
102.27776	0.9
105.07026	14.4
107.08573	5.9
109.10169	9.3
117.06999	1.4
119.08566	15.4
121.10134	3.6
123.11667	2.0
131.08537	6.7
133.10135	8.8
141.06985	1.5
143.08559	11.8
145.10112	18.0
146.81453	0.8
147.11713	5.7
155.08551	18.4
156.09317	3.6
157.10114	16.7
159.11656	10.0
161.13309	1.1
165.06992	1.0
167.08588	1.6
168.09363	1.9
169.10103	26.1
170.10875	1.1
171.11690	11.7
173.13318	3.0
181.10100	2.0
182.10915	5.6
183.11691	29.9
184.12361	1.2
185.13298	3.6
193.10110	4.0
195.11699	8.0
196.12479	5.6
197.09691	0.9
197.13255	34.4
207.11868	1.6
209.13271	4.6
210.14015	7.5
211.11186	5.6
211.14822	35.4
220.12558	1.1
223.14810	2.0
224.15547	3.2
225.12715	1.3
225.16304	7.3
233.31061	1.0
235.14780	1.6
238.13472	1.2
238.17195	4.3
253.12323	8.7
253.15906	18.4
253.19511	100.0
253.27090	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	253.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.4
65.45198	0.9
67.05502	4.0
69.07062	5.0
71.43790	0.8
74.52813	0.9
79.05504	1.1
81.07050	5.4
83.08609	3.9
91.05467	3.7
93.07028	4.1
95.08621	10.2
98.98450	3.8
105.07030	10.5
107.08604	3.5
109.10155	6.5
117.07004	3.9
119.08547	8.6
121.10154	2.1
123.11701	1.9
131.08551	6.1
133.10115	9.5
141.07030	1.6
142.07811	1.2
143.08566	7.6
145.10124	13.6
147.11691	5.0
151.85872	0.9
155.08536	17.0
156.09279	1.4
157.10112	9.6
159.11713	8.7
161.13277	1.7
167.08536	3.8
168.09332	1.6
169.10112	25.8
170.10939	1.4
171.11655	10.5
172.52597	1.2
173.13252	2.1
179.08525	1.0
181.10147	5.0
182.10881	2.4
183.11671	20.5
184.12392	1.1
185.13289	4.4
192.09326	2.1
193.10127	4.1
194.10890	1.2
195.11626	5.8
196.12515	3.9
197.09615	4.3
197.13264	28.9
207.11754	3.4
209.09570	1.7
209.13272	4.2
210.10399	2.1
210.14069	6.0
211.11211	9.1
211.14815	16.3
220.12459	1.9
223.11171	2.1
223.14763	1.3
225.12704	5.5
225.16393	4.9
235.11182	3.6
235.14815	4.1
238.09720	1.3
238.13577	4.1
238.17239	1.4
253.12236	20.2
253.15887	28.7
253.19508	100.0
253.27205	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	253.2161
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.05519	28.9
57.07076	23.7
67.05508	58.1
69.07069	56.8
71.08627	20.4
75.82847	3.0
76.02326	2.5
78.85487	2.4
79.05494	10.6
81.07056	100.0
82.07412	2.9
83.04955	10.4
83.08631	34.0
85.06560	4.8
85.10176	15.7
91.05479	15.9
93.07065	21.3
95.08607	97.8
96.08940	4.6
97.06518	6.5
97.10165	31.8
99.08096	3.2
103.59584	2.8
105.07018	16.5
107.08588	17.8
109.10152	54.9
111.08080	4.2
111.11737	12.4
119.08585	23.8
120.05284	3.8
121.10160	21.1
123.08063	3.0
123.11668	21.1
133.10114	34.6
135.11670	14.6
137.01453	2.6
137.09627	5.1
137.13231	16.0
147.11644	21.0
149.13234	4.2
151.11159	4.3
151.14819	4.4
155.14203	4.2
161.13248	19.9
165.12640	2.8
175.14795	3.7
177.16457	2.6
183.11639	4.2
191.17937	3.5
193.19490	39.5
207.11844	2.7
210.13799	3.4
211.11176	14.2
212.20836	2.7
217.19516	52.5
223.11285	3.2
224.12070	2.9
225.12666	10.8
235.20540	39.5
253.12196	26.0
253.15916	20.9
253.19392	3.2
253.21649	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75410	1.3
53.99176	1.3
61.02931	3.1
64.01023	1.7
71.01340	4.0
74.03422	1.6
75.04489	18.8
75.93800	1.6
87.04466	8.3
89.02364	2.2
103.03931	25.2
120.72723	1.5
131.03374	8.5
159.02878	74.2
187.02374	2.5
197.06088	1.6
203.60234	1.7
219.04987	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21713	1.4
54.33621	1.5
56.96583	2.1
60.04524	8.5
69.03467	1.9
70.06608	1.6
71.01356	41.5
75.04470	11.0
81.03408	6.6
98.06032	2.8
103.03950	24.1
109.02845	6.8
111.00796	2.4
113.02369	3.9
116.03423	2.6
117.01848	6.9
126.05500	1.7
127.03889	2.0
129.01831	2.6
131.02412	2.4
131.03403	54.6
133.05029	2.8
141.01862	9.5
145.01328	3.7
145.04956	11.3
157.04956	18.4
159.02888	100.0
163.05968	2.1
163.07555	1.8
168.98131	1.8
176.05638	1.8
186.99190	2.6
190.08694	2.5
191.05537	14.0
195.08626	2.5
208.14525	3.7
219.04999	55.9
230.98311	3.4
254.10101	2.5
254.14943	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	254.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.8
56.96577	1.5
60.04515	4.8
65.03933	1.2
67.05507	1.7
70.06592	32.2
71.04993	76.4
81.03406	6.2
88.07635	11.3
91.05456	2.2
93.03418	1.4
93.07100	1.3
95.04958	16.4
97.02901	4.4
99.04450	5.5
101.02373	6.7
103.05502	2.3
105.07030	4.8
107.04982	1.4
109.02874	7.3
110.06027	2.7
117.86636	1.3
120.08099	48.9
120.08917	2.4
121.02861	48.5
121.06468	2.0
125.02347	34.7
131.04922	4.2
131.63335	1.2
132.08139	1.7
138.05495	36.8
139.03934	5.4
143.03380	5.2
148.07542	1.6
149.06004	5.6
152.05624	1.5
154.08600	2.1
156.06535	5.0
160.11182	2.0
163.07567	4.8
166.08632	6.5
166.98973	1.1
167.03372	12.7
172.11223	1.9
185.04399	5.1
186.99150	2.0
190.12242	20.3
190.55487	1.1
191.07004	19.5
199.60094	1.2
205.00264	1.3
208.09802	10.7
208.13309	93.4
218.07997	1.7
219.06520	36.4
230.98170	4.7
236.09225	9.8
236.12825	6.7
237.07581	30.7
239.37013	1.1
248.99239	1.3
254.10234	100.0
254.13849	70.4
254.16008	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	254.1174
Annotation	Clathryimine A
Peak:m/z	Relative Intensity
56.11689	0.3
58.08372	0.4
64.36094	0.4
77.03929	0.6
84.04099	0.4
91.05479	5.5
95.04970	3.2
105.03391	100.0
117.05756	4.7
117.94069	0.4
119.04932	4.0
132.08084	28.6
136.07585	2.5
137.38936	0.4
147.04440	0.4
198.13710	0.6
199.30479	0.4
209.04224	0.5
212.11452	0.6
212.15056	0.5
239.13943	0.5
254.11714	23.7
254.15778	4.4
254.19717	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	254.1387
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
57.97925	0.9
60.04514	1.3
65.77608	1.0
70.06598	8.4
71.04992	90.2
74.07083	0.9
74.95043	0.9
79.05494	1.1
81.03393	1.5
88.07629	13.6
91.05485	2.3
92.51722	1.0
95.04969	1.5
99.67400	1.0
103.05448	4.4
105.06998	5.1
107.04926	2.0
109.02866	4.1
115.65131	1.1
120.08100	56.1
121.02853	5.4
122.07153	2.2
124.08719	1.9
125.02357	4.5
125.09083	1.5
131.04941	1.9
138.05501	2.1
149.05977	2.7
160.11172	1.5
165.19562	1.4
166.08617	7.5
172.11212	2.3
190.12251	23.4
191.06981	1.8
193.58429	1.1
194.08078	1.2
207.64522	1.0
208.09801	2.3
208.13313	100.0
219.06520	4.1
226.17387	6.2
236.09076	2.1
236.12802	7.7
237.07523	3.8
254.10265	13.0
254.13860	79.5
254.16847	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	255.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
56.96555	7.0
57.03427	6.3
58.06591	2.4
58.74950	1.2
59.07373	1.9
60.08168	51.6
61.04026	2.0
67.04251	20.9
67.67583	1.4
67.88729	1.2
69.03417	3.4
71.04987	1.7
73.02888	3.0
74.50700	1.3
74.98512	1.3
81.03411	3.2
85.02886	9.3
86.03678	2.6
87.04446	1.9
97.02854	2.5
98.97590	1.6
100.05198	1.5
100.99158	2.2
106.02894	1.7
109.02871	3.2
110.01244	1.5
110.07156	5.5
110.97511	1.9
112.95429	1.4
115.03928	2.0
116.28111	1.4
123.05549	100.0
125.01694	98.3
133.04924	1.8
133.07520	1.5
135.03102	2.5
141.01178	1.7
142.02754	1.5
144.03629	3.2
151.03217	1.7
152.02769	91.5
152.06981	1.5
156.07605	3.4
158.99643	2.1
161.02718	1.5
163.04332	2.5
166.04958	1.4
168.02290	11.7
168.03493	2.6
173.01183	2.4
175.03951	1.5
177.04128	1.6
177.10194	8.9
190.98593	3.1
193.09755	2.2
194.10620	2.1
196.01802	5.6
196.10791	7.2
208.99666	1.7
211.10114	55.1
214.05965	6.1
219.07489	2.0
222.05724	6.4
223.06500	18.9
232.07054	11.9
233.03343	1.6
237.03992	1.8
237.08678	5.9
251.04401	7.1
255.09108	93.1
255.13214	41.9
255.17633	2.3
269.05426	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	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.3
55.01888	1.8
56.96575	2.2
57.03442	8.7
59.04991	0.4
61.02914	1.0
61.04049	0.5
61.63265	0.2
64.50158	0.2
69.03430	4.9
69.27247	0.2
71.01353	2.4
71.04996	2.5
73.02917	3.7
74.88124	0.2
75.04478	0.3
78.03458	0.3
80.05011	0.4
81.03418	4.2
82.49723	0.2
83.05017	0.3
84.96010	0.5
85.02901	5.3
86.03685	5.6
87.04452	2.7
90.72843	0.2
96.04501	0.3
97.02898	1.0
97.96806	1.9
98.97571	1.9
99.04453	3.1
100.05233	3.9
100.99178	0.3
101.05997	0.3
106.01817	0.4
106.02906	3.6
108.01516	0.5
109.02884	5.2
110.01260	1.2
110.07162	0.4
110.97581	1.4
112.99139	0.5
114.35410	0.2
115.02306	0.5
115.03925	1.6
116.01239	0.4
116.98615	0.3
117.02051	1.4
119.01784	1.0
120.01579	0.2
122.03114	0.5
123.05547	100.0
124.02821	0.3
124.99133	1.1
126.02506	2.6
127.03911	2.5
128.02271	0.4
128.98590	1.0
129.02031	1.1
130.02835	0.5
131.00146	1.0
131.01808	0.5
133.04961	2.2
135.02112	0.6
135.03062	3.2
136.99124	0.3
137.01796	0.3
138.02565	1.1
139.01529	0.3
141.02045	0.3
141.05531	0.4
142.02811	0.3
143.00169	1.7
143.01836	0.5
144.02550	0.9
144.03603	6.2
144.04683	0.3
144.98166	0.3
145.03378	1.3
146.02310	0.5
146.99657	0.3
147.03113	0.4
150.02556	0.6
151.03325	0.4
152.02409	0.3
153.03067	0.9
153.04169	2.6
154.03883	1.5
155.00163	0.9
156.03694	0.3
157.01735	0.4
157.03452	0.4
158.99719	1.2
159.03110	1.0
160.03909	2.0
161.01224	0.3
161.02837	0.3
162.03642	0.3
163.04405	1.5
164.03391	1.4
166.03865	0.6
167.04681	0.4
168.03639	0.5
169.04390	2.6
170.03418	1.0
170.05161	0.2
172.04921	1.0
173.01247	1.4
173.02686	0.3
175.04340	1.2
176.05202	1.2
177.00710	0.3
177.04170	1.3
178.04910	2.2
179.03870	0.9
179.05655	0.3
180.03622	1.0
182.99689	1.6
183.04170	0.3
184.00424	0.3
184.04909	1.3
185.01274	0.5
185.04022	0.3
185.05713	0.5
186.04706	0.4
189.04129	1.9
190.98621	0.5
192.04642	0.3
197.01180	0.4
198.04655	2.5
199.02872	0.3
201.00728	2.6
205.05527	1.5
207.05167	2.1
208.99643	0.5
214.05960	9.5
215.02348	1.2
216.05722	0.4
219.01877	0.3
223.06483	27.8
223.99895	0.3
232.07014	25.9
233.03239	2.0
234.57362	1.3
235.14859	0.3
239.07977	0.3
243.57684	0.3
251.04375	8.7
255.09888	0.5
269.05420	6.6
274.03647	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	255.1228
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
51.50775	1.0
53.11829	1.2
55.01874	10.6
55.05519	3.2
57.03426	1.6
67.05500	6.3
69.03386	1.5
69.07070	13.9
71.04984	1.7
73.02880	1.5
76.65211	1.4
79.05475	9.6
81.07066	3.3
83.01341	15.2
83.04969	10.4
85.02897	2.5
91.05496	3.2
92.18523	2.6
93.07030	2.9
95.04964	7.9
95.08608	5.4
97.06523	3.2
101.02378	17.5
105.07018	7.7
107.04961	30.4
107.08584	5.7
109.06512	2.0
109.10149	7.8
111.04439	5.6
113.06003	9.0
117.07015	5.7
119.08570	11.2
121.06474	2.2
121.10095	5.2
125.06003	14.3
131.08569	9.0
133.10150	1.5
135.08052	6.3
135.11693	3.2
137.05995	15.7
137.09637	2.3
139.03905	52.5
143.06982	3.1
143.08556	3.0
145.10109	20.2
147.11684	2.0
149.05969	7.6
149.09641	8.8
155.08539	2.0
155.10666	5.4
157.04947	5.3
157.10162	6.6
159.08067	5.6
159.11678	2.5
161.13248	1.6
163.11172	24.1
165.05522	3.0
165.06935	1.3
171.11714	3.2
173.09558	13.1
177.09106	9.4
181.10161	1.8
181.12271	1.5
183.06532	24.3
185.09576	1.6
185.13208	1.5
191.10666	53.3
193.05365	1.3
195.06522	20.8
195.11713	5.3
197.08066	2.5
199.11087	1.9
199.14874	2.9
201.09172	1.8
209.11700	10.3
210.14636	1.4
213.12685	1.8
213.16356	2.9
219.10156	60.0
219.17393	1.9
227.14563	1.5
227.17868	1.7
230.11166	1.3
237.11203	100.0
237.16403	2.4
240.15155	2.4
255.06580	11.3
255.11992	29.5
255.17390	23.7
255.21078	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	255.1226
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
53.03960	3.5
55.01880	3.8
55.05519	45.2
55.47395	1.5
67.05489	3.3
69.03427	3.4
69.07069	16.5
71.04986	3.3
79.05494	2.4
81.03420	35.5
81.07072	13.4
83.04990	12.7
83.08623	73.1
85.06551	3.0
87.08084	6.5
91.05482	2.2
93.07024	15.2
95.04963	2.3
95.08603	3.2
97.06552	3.0
98.97553	1.7
99.04471	4.2
99.08076	2.1
105.07014	8.0
107.08600	3.1
109.02881	100.0
109.06470	2.5
110.03666	6.5
111.04428	10.5
111.08060	9.0
117.06985	2.0
121.06488	3.0
127.03913	44.8
129.09109	10.0
131.08516	3.3
135.08066	3.1
137.05962	4.3
159.11714	2.4
163.11203	2.4
169.10152	2.2
173.13132	1.8
181.06546	2.0
201.12753	2.3
237.11061	11.9
237.14832	2.6
255.06532	10.1
255.12215	72.7
255.21042	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	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01875	2.0
55.05517	20.3
57.03443	15.9
65.53918	1.5
66.67929	1.2
69.03418	2.0
69.07056	3.0
75.04479	5.4
77.03920	1.7
77.92727	1.4
79.05497	2.4
81.03407	16.3
81.07040	3.0
83.05006	1.7
83.08626	31.7
84.30577	1.6
85.06505	2.2
91.05479	11.1
93.07050	7.4
95.04961	2.6
103.05473	25.7
105.07043	1.6
107.08553	1.5
109.02877	42.3
109.06509	3.3
110.03674	14.3
111.04423	3.2
117.81958	1.5
119.04945	21.2
121.06505	11.7
123.04434	20.4
123.05270	2.5
123.08062	2.2
124.05216	3.3
127.03875	15.2
127.74563	1.6
129.09077	3.1
131.04924	100.0
133.10223	1.8
135.04472	2.6
135.08044	3.7
137.05974	28.6
138.06764	41.2
139.05077	2.6
148.05141	2.0
150.10324	1.8
151.07520	11.7
159.11711	2.0
163.07529	27.8
166.06238	41.4
171.08061	1.9
177.05444	2.3
179.07057	3.6
181.06931	2.1
181.08601	23.4
223.07570	3.2
227.06924	2.9
237.11069	2.4
237.14867	2.5
255.06660	15.1
255.12114	24.6
255.21289	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	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.33138	1.2
58.48593	1.4
67.29323	1.2
67.38036	1.2
68.99784	2.0
72.70273	1.2
79.05508	1.8
81.07040	8.4
81.07462	1.2
92.18558	3.9
108.72882	1.3
109.06519	15.3
111.08109	1.6
117.06991	1.8
143.08575	1.5
145.06479	8.1
146.07303	9.7
147.08055	1.6
157.06450	3.2
157.10063	1.8
159.08049	12.8
165.06998	1.5
167.08578	5.5
171.07947	2.3
173.09653	1.5
173.76360	1.3
181.06490	2.1
181.10190	2.4
183.11697	1.5
185.06009	5.6
185.09668	2.3
187.07487	2.6
193.10063	2.1
194.10806	1.7
195.11748	6.7
197.09558	2.7
198.10410	2.6
199.07472	4.8
199.11211	6.7
204.09422	1.6
204.15198	1.3
209.09621	1.5
209.13223	3.1
211.11200	6.2
212.10204	1.3
212.11900	10.0
213.05423	5.2
213.09180	2.2
213.12721	10.0
222.10542	2.6
226.09827	3.0
227.06949	2.3
227.10663	5.7
227.14270	9.5
237.12749	12.7
240.11469	8.2
246.11784	1.5
255.06543	28.9
255.13802	100.0
255.17285	5.4
255.21114	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	255.1379
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.05513	1.4
57.03432	2.4
61.75755	0.9
67.05493	2.5
69.03395	1.1
69.07050	2.3
79.05490	3.9
81.07046	6.1
83.04986	1.7
83.08606	1.3
91.05477	5.0
93.07024	2.2
94.23885	0.9
95.04958	2.0
95.08590	7.1
97.10141	1.2
103.05472	4.0
105.07025	6.3
107.08604	5.1
109.06508	2.2
109.10175	3.7
117.07013	2.2
119.04941	2.3
119.08553	8.3
121.06474	2.3
121.10099	4.0
128.06209	1.3
129.07034	1.7
131.04918	13.9
131.08585	7.5
133.10127	6.1
135.11670	1.3
137.05971	98.1
140.50340	1.1
141.07109	1.2
143.08562	6.5
145.06488	2.0
145.10097	7.9
147.08017	4.1
147.11710	5.4
153.07037	1.3
155.08524	2.6
157.10136	13.0
159.08054	6.1
159.11700	7.8
161.09450	1.7
161.13255	4.3
163.07495	12.3
165.06927	3.9
167.08560	8.9
169.10052	7.5
171.08020	4.5
171.11674	8.6
173.09644	1.0
173.13293	4.9
178.07855	1.3
179.08574	5.9
180.09315	6.1
181.06409	1.4
181.08633	1.9
181.10036	10.1
183.11693	4.3
185.05843	1.1
185.09576	9.2
185.13275	7.8
187.14775	1.6
193.08632	1.2
193.10106	9.1
194.10918	6.3
195.08014	2.6
195.11696	7.3
196.08755	1.6
197.09648	4.8
197.13309	1.6
198.10452	1.5
199.11211	5.4
199.14815	9.9
204.09309	2.5
208.08714	1.8
209.09671	2.0
209.13252	9.0
211.11168	8.8
212.11971	3.9
213.09145	1.8
213.12749	5.2
213.16322	2.1
219.11719	5.3
222.10364	13.4
226.09818	1.7
227.10652	2.3
227.14272	9.7
227.17921	4.4
237.12753	20.3
237.16417	3.6
240.11382	2.3
255.06517	5.4
255.10187	5.4
255.13777	100.0
255.17386	16.1
255.21045	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1376
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.05497	1.7
57.33871	0.8
58.40181	0.7
67.05480	1.0
69.03410	1.3
69.07041	1.3
79.05455	1.0
81.07031	4.9
83.04953	4.7
91.05437	1.9
93.07027	1.6
95.04928	2.9
95.08563	1.9
96.71886	0.9
97.06506	1.2
105.07000	3.1
107.08574	2.9
107.80334	0.8
109.06496	4.1
109.10157	1.0
117.07019	1.5
119.08564	8.3
121.06477	4.3
129.06989	3.2
131.08559	1.8
133.10104	1.3
135.08069	1.2
141.07025	1.0
143.08546	5.0
145.06458	1.4
145.10104	3.8
147.07997	1.8
147.11671	3.2
153.06953	1.3
155.08542	4.7
156.09354	1.0
157.10141	6.8
159.08006	6.2
159.11671	3.2
165.06975	1.6
167.08551	5.7
168.09279	0.9
169.10085	3.9
171.08003	6.3
171.11656	5.0
173.09619	0.9
173.13199	1.3
179.08517	4.6
180.09329	3.4
181.10081	7.0
183.11665	3.3
185.06041	1.0
185.09608	7.1
185.13216	7.2
193.10129	4.7
194.10887	6.8
195.08003	1.9
195.11644	5.8
197.09570	5.0
197.13283	3.2
198.10396	1.9
199.07515	1.0
199.11160	4.8
199.14813	7.0
204.09305	3.9
207.08008	1.7
208.08781	1.2
209.09579	3.2
209.13246	9.6
211.11130	9.9
212.11900	3.6
213.09070	5.4
213.12694	8.8
219.11690	4.2
222.10341	12.6
225.09123	0.9
225.12711	1.4
226.09892	1.0
227.10631	4.8
227.14250	8.1
227.17960	0.9
237.12689	18.4
237.16252	1.0
240.11472	1.7
255.13757	100.0
255.17383	9.6
255.21019	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.6
57.03448	49.0
67.05173	2.9
67.05511	79.8
69.03400	2.1
69.07066	23.7
71.01340	3.9
71.04988	4.2
78.63436	2.3
79.05051	3.5
79.05497	78.9
81.03397	11.6
81.07059	39.6
83.04975	27.9
83.08588	8.1
85.06530	2.7
90.09902	2.1
91.05482	23.8
93.07043	98.3
95.04977	11.3
95.08594	13.3
97.06553	25.6
97.10186	17.6
99.08060	2.9
102.23845	2.2
105.07024	5.4
107.08596	65.1
109.10166	12.8
111.08036	3.0
117.06994	8.0
119.08573	17.3
121.06521	3.2
121.10148	15.0
131.08583	2.5
133.10123	10.8
135.08101	2.6
135.11699	100.0
137.09570	2.5
145.06555	2.2
145.10133	23.2
148.45830	2.4
163.11168	15.5
181.12253	14.7
191.52776	2.6
193.10191	3.7
199.07719	2.5
222.56970	2.2
225.33237	2.3
255.06526	8.7
255.13649	12.0
255.15848	82.9
255.20827	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	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.34488	2.2
51.60906	2.2
55.05531	22.1
57.03444	52.4
57.07088	3.5
67.05509	71.6
69.07067	29.5
71.04988	6.1
75.38377	2.3
79.05503	70.9
81.03414	4.3
81.07056	37.9
82.61090	2.5
83.04984	24.9
83.08621	12.4
84.20131	3.2
85.06536	4.7
91.05494	22.2
93.07046	93.1
95.04980	5.5
95.08595	17.3
97.06539	21.3
97.10197	18.7
107.08603	52.1
109.10138	11.3
116.77597	2.4
117.07017	5.1
119.08579	15.5
121.10160	10.0
125.09637	4.8
135.11697	100.0
137.09602	3.9
145.10147	19.8
150.95416	3.0
163.11209	12.2
181.12268	13.8
199.91429	2.9
203.16078	3.0
211.11140	3.2
237.12669	3.0
255.06325	4.4
255.13649	14.5
255.15942	72.2
255.21138	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06828	1.8
55.01878	2.7
55.05519	22.3
57.02481	1.8
57.03187	2.7
57.03442	44.8
57.07075	3.8
57.19673	1.7
62.06930	2.2
67.05180	3.9
67.05508	81.8
69.03409	2.2
69.07066	23.8
71.04984	5.8
73.15229	2.2
79.05495	70.4
81.03403	10.5
81.07056	44.1
83.04980	27.7
83.08617	9.2
85.06560	4.5
86.91529	2.4
91.05491	30.4
93.07040	98.3
95.04949	5.8
95.08606	8.7
97.06532	18.1
97.10166	20.3
99.08102	2.4
105.07037	5.7
107.08585	65.3
109.06507	2.4
109.10161	10.6
117.07001	10.2
119.08560	14.0
121.06481	12.0
121.10133	13.7
125.09579	2.5
131.08554	3.3
133.10124	3.2
135.08083	4.1
135.11694	100.0
137.09596	3.4
143.08539	5.2
145.10086	25.2
147.07991	2.7
155.08577	5.4
157.10088	3.8
159.08121	3.4
163.11215	8.1
165.06960	4.6
166.07771	3.1
167.08575	11.8
171.07990	5.2
171.11618	2.5
178.07713	2.5
179.08534	14.8
180.09314	4.1
181.10138	11.2
181.12195	16.0
183.11639	4.2
185.09511	4.0
193.10153	4.0
194.10924	16.3
195.11679	25.5
197.09581	3.7
207.11734	2.6
209.13243	26.2
211.11116	5.5
213.12808	5.7
219.11658	3.4
222.10387	9.4
227.14330	14.9
237.12723	19.4
255.13721	52.0
255.15948	71.1
270.60342	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.5
55.05507	10.8
57.03439	4.5
57.07074	9.5
57.32739	1.5
59.93284	1.7
61.02922	4.0
67.05505	19.3
69.03426	16.9
69.07066	18.4
71.04984	2.3
71.08617	3.4
71.93281	1.5
73.02919	2.5
77.32403	1.8
79.05477	12.4
81.03407	7.2
81.07062	36.4
83.04980	8.0
83.08591	2.5
85.02875	7.6
85.06535	2.1
91.05476	14.3
93.07050	26.0
95.04973	9.7
95.08603	24.7
97.02888	4.1
97.06522	11.2
97.10155	2.3
103.03929	2.5
105.07015	25.8
107.04950	4.2
107.08587	23.3
109.06508	3.4
109.10158	17.2
111.04430	4.4
111.08089	2.4
117.06989	8.2
119.08568	21.0
121.06493	7.7
121.10117	16.9
123.08068	7.5
123.11724	11.6
125.06001	3.7
125.09619	2.7
127.03913	1.9
129.06937	3.5
131.08557	20.6
133.06520	1.8
133.10152	16.3
135.08049	7.8
135.11681	10.3
137.13237	3.8
139.07562	2.4
139.11124	3.0
143.08521	9.1
145.10104	18.0
147.08113	2.5
147.11699	13.5
149.13295	8.5
151.11177	10.5
155.08604	3.3
157.06477	1.8
157.10158	19.4
159.08095	2.1
159.11678	19.2
161.05954	3.1
161.13228	9.1
163.11168	10.5
165.12740	8.4
167.08617	4.0
169.10147	3.7
171.11713	16.0
173.13257	10.9
175.11215	2.1
177.12692	4.4
179.08644	2.4
181.10101	3.0
183.11679	2.3
185.06044	2.1
185.09601	2.0
185.13263	12.2
187.14781	2.2
193.10143	1.8
193.12160	2.8
194.10912	3.2
195.11720	9.0
199.14795	24.6
207.13800	2.0
209.13153	3.2
209.15486	2.0
213.12651	2.8
213.16400	9.1
219.13867	10.1
222.14127	2.0
223.07536	2.4
227.14294	2.6
227.17905	2.3
237.12758	3.2
237.14853	8.1
255.06523	7.4
255.10228	8.8
255.14067	12.8
255.15683	9.9
255.17517	19.6
255.21066	100.0
255.23631	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	255.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
57.07087	0.8
57.86765	0.5
58.92692	0.5
62.04144	0.6
67.05495	2.3
69.07055	3.7
79.05508	0.9
79.14046	0.6
81.07038	5.0
83.08623	2.6
91.05445	2.9
93.07016	3.9
95.08602	7.6
97.10157	1.0
105.07039	5.3
107.08595	7.0
109.10142	7.6
113.96357	1.1
119.08591	9.5
121.10117	4.6
123.11679	2.7
129.07002	1.0
131.08527	5.1
133.10139	13.4
133.80933	0.6
135.11676	5.1
143.08549	6.9
145.10104	8.0
147.11705	9.5
149.13197	0.9
156.09308	0.6
157.10095	9.8
159.11679	11.5
161.13248	6.0
169.10098	0.8
171.11688	12.4
173.13222	6.7
175.14844	2.4
183.11603	1.1
185.09558	1.1
185.13254	15.3
187.14775	3.2
195.11661	3.3
197.13278	0.9
199.11139	0.9
199.14804	18.4
200.15512	0.6
209.13313	0.6
211.14844	0.9
212.15489	2.1
213.12889	1.0
213.16408	8.7
227.17876	1.4
237.12646	0.6
240.18625	0.9
255.13913	4.3
255.17461	11.4
255.21049	100.0
256.79459	0.6
263.02463	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11214	0.8
55.05507	3.4
57.07076	1.2
67.05497	1.9
67.77368	0.7
69.07054	5.1
79.91461	0.9
81.07030	5.4
83.08608	3.7
91.05474	1.1
93.07040	5.7
95.06777	0.8
95.08609	10.8
97.06504	1.0
97.10165	1.3
105.07046	7.0
107.08585	9.0
107.85116	0.9
109.10149	7.7
117.07025	1.3
119.08572	9.1
121.10110	6.5
123.11687	3.3
131.08525	3.7
133.10136	12.7
135.11681	4.6
143.08539	7.4
145.10112	7.6
147.11710	10.3
149.13306	1.1
157.10101	14.0
159.11697	10.9
161.13281	8.4
170.10843	1.6
171.11690	16.9
172.08893	1.2
173.13234	9.3
175.14706	1.4
183.11658	0.9
185.09654	0.8
185.13258	14.2
187.14871	3.6
197.13200	1.8
199.14830	21.0
200.15628	1.1
211.14769	1.0
212.15695	1.5
213.12808	0.9
213.16264	8.1
227.17877	1.5
240.18677	1.9
255.17494	10.2
255.21049	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00348	0.7
55.05503	1.9
57.21553	0.7
63.57305	0.8
67.05486	1.8
69.07053	4.5
73.90599	0.9
79.05467	1.0
79.51566	0.9
81.07043	4.3
83.08598	1.5
90.66931	0.7
93.07021	6.0
95.08604	8.1
97.10142	3.2
105.07025	5.9
107.08583	7.8
109.10139	8.5
119.08578	12.4
121.10112	5.1
123.11694	1.9
129.06975	1.4
129.09009	1.0
131.08534	1.1
133.10126	17.0
135.11665	5.1
143.08554	6.0
145.10120	9.9
146.52805	0.8
147.11713	9.3
149.13228	1.7
157.10101	11.9
159.11728	13.7
161.13248	6.7
171.11710	11.7
173.13260	10.1
175.14842	1.9
185.13239	16.9
187.14751	4.0
199.14799	18.3
211.01872	0.9
213.16507	6.9
227.17918	2.0
255.17456	5.5
255.21059	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	255.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
67.05506	1.7
67.27719	0.8
69.07050	2.1
79.05490	0.9
81.07043	6.1
83.08598	1.5
93.07040	7.0
93.17056	0.8
95.08618	12.2
97.10159	1.6
105.07037	7.6
107.08611	9.4
109.10181	11.1
119.08579	15.4
121.10146	7.5
123.11685	3.5
131.08583	5.3
131.56276	0.7
133.10132	18.3
135.11676	5.0
140.74673	0.9
143.08536	8.1
145.10141	8.5
147.11668	13.5
149.13307	0.8
157.10135	13.4
159.11682	15.3
161.13237	6.8
170.10822	1.2
171.11671	17.6
173.13226	11.4
175.14748	2.7
181.08649	1.0
185.13258	19.7
187.14833	2.0
195.11726	1.2
197.13210	1.6
199.11201	1.5
199.14821	17.7
200.15604	1.1
212.15572	1.8
213.12906	0.9
213.16379	9.5
227.18022	1.3
237.16261	0.9
255.13795	5.3
255.17621	9.6
255.21060	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54824	0.9
52.64021	0.8
55.05505	1.6
57.07041	1.0
61.58795	1.0
62.78174	0.9
64.06149	1.1
67.05476	1.5
69.07059	1.9
75.02873	0.9
81.07048	5.0
83.08595	5.0
93.07023	1.8
95.08598	10.1
100.57484	1.2
101.11842	0.9
105.07028	7.0
107.08581	6.8
109.10161	5.7
113.10056	1.2
119.08572	14.8
121.10132	7.4
127.27872	1.0
129.06897	1.1
131.08554	2.1
133.10117	8.6
135.11693	2.0
141.91019	1.1
143.08560	6.7
145.10106	5.7
147.11678	8.7
157.10149	15.8
159.11722	10.3
161.13249	5.8
171.11662	16.4
173.13211	6.7
185.13231	15.2
187.14865	2.0
192.72359	1.2
199.14781	19.9
211.14810	1.4
213.16422	10.7
240.18639	4.1
255.17371	5.8
255.21066	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	255.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
57.07071	1.1
67.05492	3.1
68.45743	0.7
69.07059	3.6
76.65971	0.6
79.05510	1.1
81.07061	6.1
83.08605	3.2
86.67873	0.7
91.05473	2.4
93.07024	5.7
95.08599	9.1
97.10148	1.4
105.07034	7.3
107.08579	6.5
109.10160	9.4
117.07040	0.9
119.08584	11.4
121.10129	7.6
123.11701	3.4
129.07025	1.1
131.08562	3.9
133.10138	14.6
135.11699	5.1
143.08607	6.2
145.06403	0.8
145.10152	7.7
147.11708	10.9
150.45561	0.7
156.09367	1.0
157.10107	13.9
159.11691	14.9
161.13254	7.8
170.10860	0.8
171.11682	14.8
173.13264	8.9
175.14819	1.5
185.13260	16.9
187.14752	3.5
195.11511	0.7
197.13286	1.3
199.14836	18.7
208.15707	0.8
212.15630	1.4
213.16362	7.8
225.16460	0.8
227.17902	2.7
255.14050	4.7
255.17471	7.7
255.21065	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	255.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.3
57.07065	16.7
58.95777	2.3
64.03968	2.0
64.45132	2.1
67.05487	13.0
68.39605	2.2
69.07066	24.6
71.00930	2.3
71.08611	10.1
71.23568	2.4
79.05473	5.7
81.07066	21.0
81.07489	2.6
83.08621	19.5
85.10193	4.7
93.07027	12.3
95.08615	21.5
97.06554	3.8
97.10152	13.0
97.62066	2.5
105.07028	5.6
107.08579	14.4
109.10143	10.9
111.11731	3.4
115.07518	2.6
119.08563	4.6
121.10123	16.2
123.11681	10.2
125.09578	3.6
131.08537	3.0
133.10118	6.1
135.11656	10.8
138.28665	2.9
139.11218	3.7
143.08549	5.8
145.10164	3.3
147.11670	9.9
149.13242	11.3
157.10121	11.5
159.11662	14.6
161.13275	4.2
163.14832	3.6
171.11665	13.7
173.13144	4.4
185.05942	4.3
185.09653	2.8
185.13232	19.4
199.14801	12.6
213.05492	2.6
213.16367	6.0
217.38097	2.5
219.21068	10.7
237.22125	5.9
255.06503	25.4
255.13762	12.8
255.17450	9.1
255.21022	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	256.2633
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
57.07073	6.2
58.06593	0.7
59.18465	0.6
59.81441	0.6
60.89171	0.8
69.33051	0.8
70.06595	9.0
71.08607	4.5
85.10186	1.0
88.07625	18.7
90.94820	0.9
91.74481	0.7
94.02102	0.7
94.86290	0.9
102.09188	17.8
104.03055	0.9
111.53919	0.7
171.79947	0.9
256.06891	6.7
256.14154	1.9
256.17743	1.5
256.26331	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	256.2634
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
50.29528	0.3
57.07079	3.9
63.17651	0.4
66.19045	0.4
70.06575	2.0
71.08622	2.3
88.07629	10.3
94.81180	0.4
95.04975	0.5
95.08582	0.5
97.09335	0.4
102.09177	1.7
132.95792	0.4
173.98549	0.6
182.10550	0.4
215.14252	1.6
256.06836	0.6
256.10715	0.5
256.14243	1.0
256.26334	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	256.2635
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
55.72982	1.3
57.07067	3.3
71.08620	1.9
74.06078	2.1
88.07626	16.1
102.09150	8.7
107.25504	1.5
116.10723	2.4
226.33609	1.6
256.26340	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	257.0808
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
55.01868	2.1
63.98169	1.1
65.22994	1.1
68.99773	1.2
81.03411	1.5
81.07082	2.3
95.08604	1.9
105.07045	2.2
107.04925	1.4
107.08592	2.3
108.95627	1.3
119.08573	2.6
119.18346	1.1
131.04932	1.2
132.39957	1.2
133.10129	5.3
137.05954	4.7
141.06996	22.2
143.08594	2.0
145.10083	1.3
147.11743	1.6
153.06963	5.3
155.04907	2.5
155.08578	2.3
157.10068	2.7
159.11664	2.9
163.03918	4.6
168.05656	1.7
169.06456	50.7
169.10120	2.9
171.11624	1.5
173.06000	1.2
173.09602	2.3
181.06462	5.9
183.04337	2.0
183.07980	2.1
185.13240	1.9
186.06740	6.3
187.07491	10.0
193.31165	1.4
196.05203	5.1
197.05968	42.5
197.13176	2.1
198.06735	2.3
201.09132	19.1
203.03397	5.5
211.07516	12.5
211.14911	2.4
214.06288	12.2
215.07040	6.6
221.13306	1.5
225.05463	15.1
228.07906	1.4
229.05133	15.3
229.08559	57.2
239.06970	1.9
239.14116	1.6
242.05817	2.3
257.04437	100.0
257.08066	58.6
257.15344	10.6
257.19003	10.3
257.22565	5.1
264.72852	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	257.1132
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
50.09337	0.4
52.79621	0.4
53.03939	0.5
55.01870	1.1
56.05026	0.8
57.03435	1.2
57.07073	1.0
65.20569	0.4
69.03436	4.5
70.06572	0.7
80.05003	2.1
81.03416	2.1
82.06590	7.2
82.48906	0.5
83.04963	0.5
84.08143	0.9
85.02901	3.9
86.09718	0.6
87.04465	0.8
90.91040	0.5
95.06046	0.5
96.04533	0.6
97.02884	5.2
98.06018	1.1
98.97563	3.5
99.04440	1.0
108.04478	40.6
109.02871	2.9
109.05250	0.6
110.07139	1.0
111.02042	0.6
115.03925	0.7
116.03452	0.5
116.98617	0.7
119.01879	1.2
123.06351	1.0
125.07113	26.4
126.07917	4.0
127.03922	3.8
134.02269	2.0
134.05992	5.1
136.07545	0.7
137.05952	0.7
141.03033	0.6
149.02299	10.4
152.07065	14.8
154.04936	0.6
155.02802	1.9
158.99631	1.0
160.06573	0.4
162.05322	0.6
170.03276	0.9
170.05214	1.1
177.04419	0.6
179.80632	0.5
180.06494	0.6
183.04184	2.5
189.05386	0.5
189.56271	0.5
192.04710	8.6
192.06367	1.3
197.03233	0.6
201.05328	2.1
213.95644	0.6
221.03264	2.3
229.04919	2.1
239.04390	3.3
239.10338	0.8
239.13805	0.9
240.08649	49.3
248.07330	0.9
257.07870	13.3
257.11304	100.0
257.14923	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11834	0.7
54.65553	0.6
54.97264	0.8
57.03444	7.6
57.07064	0.6
61.09035	0.7
62.94425	0.6
67.05493	1.2
69.07056	1.0
75.04479	1.6
79.05489	1.2
81.07054	3.6
91.05447	0.8
95.04958	0.9
95.08604	1.6
103.05446	1.1
105.07027	23.3
107.04949	2.9
107.08591	2.9
109.10139	1.5
116.82066	0.7
119.08556	3.6
121.00922	0.6
121.06492	1.2
121.10165	1.5
124.05266	0.7
133.06485	52.5
133.07503	1.8
133.10101	1.6
135.07997	1.3
135.11685	0.8
137.05974	100.0
145.10098	3.3
152.67036	0.8
155.08542	1.6
157.10107	3.1
159.08087	0.8
159.11690	1.1
163.03877	1.2
163.07549	3.5
165.09106	24.9
169.10103	1.6
171.08006	0.9
171.11531	1.4
173.09598	0.8
173.13263	1.5
175.07582	3.6
179.07112	0.8
181.08574	1.1
183.10156	4.3
183.11687	3.1
187.14740	1.5
197.09529	1.1
197.13261	1.2
199.11203	0.8
199.14917	1.0
201.16377	1.4
203.10625	1.1
211.14766	1.8
215.17921	1.0
221.11684	2.8
229.04950	1.0
229.08607	3.7
239.14302	4.1
239.18073	2.9
257.04352	7.1
257.08276	2.1
257.11462	1.4
257.15356	12.3
257.18979	13.1
257.22610	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.7
75.04482	1.1
77.98346	0.8
92.17819	0.8
103.05463	1.4
105.07036	26.5
133.06496	56.8
137.05975	100.0
146.36789	1.0
163.07526	2.1
165.09114	25.7
175.07582	1.9
177.09111	2.2
181.08597	0.9
183.10190	5.1
221.11745	1.5
226.43015	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57876	1.0
53.46783	1.2
55.01868	2.1
55.05521	2.4
67.26018	1.2
69.03422	1.9
69.07066	26.9
71.04982	2.8
79.05482	2.4
81.03446	1.3
81.07050	18.9
83.04951	1.5
91.05468	1.2
93.07024	5.4
95.08622	2.6
97.06519	5.4
101.02361	6.7
105.07036	7.9
107.08595	3.0
109.06538	15.0
111.04405	1.8
113.05999	6.2
113.17554	1.1
119.08535	1.9
121.06512	2.3
121.10131	1.3
123.04395	8.9
125.05987	1.9
131.08560	4.8
133.06482	7.6
133.10141	6.2
137.05978	33.7
139.03909	11.9
142.07841	1.6
147.07985	1.4
147.11671	9.6
149.05968	2.2
151.07547	1.6
157.10132	4.9
161.09645	5.3
165.12724	1.8
167.07036	6.9
171.06549	2.2
175.11195	17.3
179.07245	1.8
179.10654	6.4
183.06512	79.6
183.11633	2.0
185.09608	1.9
193.12163	12.7
199.14883	1.3
201.05511	2.1
203.03513	4.7
203.10678	7.5
209.13365	1.2
221.11720	14.6
229.05003	7.3
239.12761	100.0
239.17862	2.4
257.04425	24.9
257.08182	2.2
257.13733	6.6
257.15723	3.3
257.19031	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64349	0.4
57.03445	7.0
67.05512	0.8
75.04476	3.6
79.05492	1.3
81.07047	0.9
91.05453	1.1
95.05016	0.6
103.05479	0.8
103.18312	0.6
105.07033	25.3
107.04939	2.5
107.85141	0.6
108.06659	0.6
122.03651	0.8
133.06488	56.4
133.10141	0.7
135.08113	1.1
137.05975	100.0
149.05977	0.8
163.07523	6.1
165.09100	24.9
175.07538	6.0
177.08920	0.6
181.08575	2.3
183.10144	4.9
199.16455	0.7
203.10643	0.8
209.11795	0.8
221.11681	3.0
228.12634	2.5
229.13567	0.8
257.04443	1.0
257.16333	4.2
257.18979	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	257.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24808	0.2
68.54902	0.2
73.66608	0.2
74.09718	9.0
83.79557	0.2
96.07882	1.2
98.97578	0.8
110.21121	0.2
114.08923	0.9
135.87038	0.2
140.06818	100.0
144.84578	0.2
216.05420	4.2
234.06505	0.9
257.14697	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	257.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32812	1.0
52.56181	1.2
53.69343	1.2
54.05285	1.0
58.88011	1.0
60.87151	1.1
79.82106	1.2
80.35747	1.4
81.07047	5.0
91.05457	2.7
93.07027	2.5
95.08582	2.3
97.06520	1.6
105.07026	2.6
107.08578	3.1
109.06512	7.5
109.47681	1.3
119.08568	8.0
121.06488	2.5
125.07294	1.2
129.06995	2.7
131.08524	2.8
133.10072	1.7
135.08041	5.6
138.93132	1.2
143.07472	1.3
143.08542	5.6
145.10094	2.2
147.08040	8.1
149.09593	2.7
150.58916	1.4
151.26778	1.3
155.08551	2.5
157.10126	2.4
159.08032	6.0
159.11617	2.0
161.09583	2.5
169.10199	9.6
171.11748	1.6
173.09637	5.0
173.13330	1.3
175.11160	1.9
181.10182	1.8
182.10869	2.6
183.11670	2.5
185.09586	2.3
187.11276	1.9
187.14767	1.9
195.08138	1.3
196.12462	1.6
197.13268	6.6
199.11191	2.4
200.11923	2.4
201.09003	1.5
202.09938	1.5
206.10883	2.8
210.10425	2.4
211.14809	6.6
213.12778	5.1
214.13522	1.7
215.10600	2.6
215.14348	2.2
221.13300	1.6
228.11458	2.9
229.12218	2.3
229.15936	5.9
239.14296	15.8
257.15347	100.0
257.18756	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	257.1531
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
67.73357	1.0
68.31200	1.0
69.03434	1.3
79.37722	1.1
81.07054	4.3
83.04969	2.1
91.05483	1.6
93.07030	5.0
95.08595	1.7
97.06535	1.3
105.07019	6.8
107.08587	5.8
109.06503	2.2
109.10185	1.2
117.07003	1.3
119.08547	5.5
121.06465	5.6
121.10126	1.6
129.07007	4.2
131.08536	6.6
133.10075	1.9
133.42743	1.1
135.08052	6.1
141.07010	2.2
143.08563	7.0
145.10103	6.1
147.08009	8.2
149.09659	2.8
155.08548	2.8
157.10100	4.7
159.08003	6.2
161.09570	2.5
163.03864	1.8
167.08600	1.6
169.10114	12.3
171.08055	1.5
171.11722	2.3
173.09619	8.6
173.13280	1.7
173.53830	1.2
175.11003	1.6
179.08574	1.4
182.10861	2.2
183.11703	6.1
185.09613	5.8
187.11156	4.5
195.08014	1.6
195.11600	2.1
196.12358	2.1
197.09560	2.0
197.13202	6.9
199.11206	2.3
200.12001	1.8
201.09074	1.9
201.12761	2.4
206.10922	2.3
209.13257	1.5
210.10449	1.8
211.11232	1.9
211.14787	9.1
213.08952	1.1
213.12749	2.9
215.10651	1.8
215.14331	2.9
224.12004	4.3
228.11340	2.3
229.08534	4.6
229.12212	4.1
229.15955	8.7
239.14235	16.8
257.11462	4.1
257.12320	4.0
257.15350	100.0
257.19193	2.7
257.22641	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	257.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58115	1.8
52.75610	1.5
65.50191	1.8
67.05507	2.8
69.07057	2.4
79.05485	3.5
81.07042	10.3
91.05433	3.3
93.07063	13.1
95.08578	3.6
105.07036	10.1
107.08597	22.3
107.81438	1.9
109.06541	2.0
111.08084	2.9
111.61671	2.0
113.08853	1.7
117.06990	3.3
119.08535	8.4
121.06490	8.4
121.10175	2.3
123.08064	14.3
129.06990	3.8
131.08551	8.9
133.06429	2.6
135.08061	8.2
137.05109	1.8
137.05962	16.2
139.46109	1.9
141.06946	2.8
143.08559	9.3
145.06448	2.7
145.10121	9.9
145.11179	2.0
147.08029	7.3
149.09601	2.7
151.07509	14.7
154.88113	1.9
155.08542	10.5
157.10120	14.0
159.08023	3.9
159.11650	3.2
169.10139	16.2
171.11647	2.6
173.09570	26.1
181.10100	2.9
183.08098	2.3
183.11653	9.1
185.09607	2.9
195.11684	3.6
197.09589	9.0
197.13249	11.9
209.13385	2.2
210.10330	2.6
211.11208	2.7
211.14804	19.6
213.12711	4.3
221.13110	6.4
224.11778	2.0
229.08565	4.0
229.15884	7.9
239.14253	22.3
248.20062	1.7
257.04410	3.5
257.12799	4.0
257.15356	100.0
257.19006	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	257.1534
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
50.26193	3.6
51.63628	3.5
53.80687	3.5
55.01876	3.7
56.41487	3.1
56.42487	3.7
61.31022	3.6
68.56174	3.6
69.07008	3.6
81.03433	4.3
81.07050	15.7
91.05489	4.9
93.07038	15.5
105.07013	9.2
107.04965	7.9
107.08617	6.3
109.06515	14.5
119.08568	16.1
128.06197	6.3
129.06976	28.3
131.08574	34.0
142.07808	20.9
143.08548	56.5
145.10123	30.4
147.08086	5.8
155.08543	43.1
156.09357	4.7
157.10083	100.0
158.10909	8.9
159.08052	15.7
159.11623	7.8
165.07030	19.0
166.07869	5.2
167.08549	16.8
168.09322	7.7
169.10103	57.4
171.07970	5.7
171.11678	7.3
178.51576	4.6
179.08551	19.4
180.09294	26.2
181.10085	24.2
181.43384	4.1
182.10913	18.4
183.08070	4.3
183.11722	22.1
184.71260	4.1
185.09651	43.4
185.13254	34.3
187.14731	5.4
191.08592	8.3
192.09407	6.1
193.10164	24.2
195.11693	94.9
196.12445	15.6
197.09639	9.7
197.13246	42.9
198.10449	5.8
199.11118	4.4
200.87971	3.6
201.09187	6.3
206.10876	47.3
211.11060	5.8
211.14819	40.9
213.07283	3.9
213.12709	34.8
215.14339	4.5
221.13257	59.7
224.11887	5.1
239.14273	68.0
257.07944	7.9
257.15302	96.7
264.26132	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	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
50.58115	1.8
52.75610	1.5
65.50191	1.8
67.05507	2.8
69.07057	2.4
79.05485	3.5
81.07042	10.3
91.05433	3.3
93.07063	13.1
95.08578	3.6
105.07036	10.1
107.08597	22.3
107.81438	1.9
109.06541	2.0
111.08084	2.9
111.61671	2.0
113.08853	1.7
117.06990	3.3
119.08535	8.4
121.06490	8.4
121.10175	2.3
123.08064	14.3
129.06990	3.8
131.08551	8.9
133.06429	2.6
135.08061	8.2
137.05109	1.8
137.05962	16.2
139.46109	1.9
141.06946	2.8
143.08559	9.3
145.06448	2.7
145.10121	9.9
145.11179	2.0
147.08029	7.3
149.09601	2.7
151.07509	14.7
154.88113	1.9
155.08542	10.5
157.10120	14.0
159.08023	3.9
159.11650	3.2
169.10139	16.2
171.11647	2.6
173.09570	26.1
181.10100	2.9
183.08098	2.3
183.11653	9.1
185.09607	2.9
195.11684	3.6
197.09589	9.0
197.13249	11.9
209.13385	2.2
210.10330	2.6
211.11208	2.7
211.14804	19.6
213.12711	4.3
221.13110	6.4
224.11778	2.0
229.08565	4.0
229.15884	7.9
239.14253	22.3
248.20062	1.7
257.04410	3.5
257.12799	4.0
257.15356	100.0
257.19006	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	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
54.80984	0.9
55.05519	1.8
56.81341	0.9
63.19626	1.2
66.76941	1.1
67.05505	1.4
70.32931	1.0
79.05492	1.9
81.07048	8.9
83.04956	2.4
84.92070	1.2
84.97110	1.2
91.05474	4.6
93.07034	6.9
95.08602	1.4
105.07018	5.9
107.04974	1.6
107.08549	5.1
109.06544	8.2
111.08080	1.5
116.48950	1.0
117.06973	2.4
119.08532	5.7
121.06486	4.5
121.10126	2.1
129.06949	2.4
131.08525	8.9
133.06517	1.4
133.10126	1.7
135.08029	5.0
141.06952	1.7
143.08559	8.9
145.06512	2.2
145.10114	5.1
147.08040	7.8
149.09598	1.8
152.22717	1.3
155.08559	7.4
157.10135	5.3
159.08055	2.2
159.11729	2.3
161.09610	2.6
169.10136	10.7
171.08018	1.5
173.09595	6.8
181.10219	1.5
182.10965	1.7
183.11676	5.5
185.09624	6.1
185.13246	8.0
187.07544	1.2
187.11177	1.7
187.14764	1.6
193.10178	2.8
195.11736	1.8
196.12430	1.4
197.09641	1.5
197.13240	6.6
199.11284	1.4
200.11905	1.6
201.12727	2.1
202.09822	2.0
206.10835	2.0
210.10440	4.7
211.11253	5.5
211.14827	9.5
213.12650	8.2
215.14297	5.2
221.13303	4.9
224.11885	2.5
228.11461	5.6
229.12175	2.5
229.15897	7.3
234.23842	1.2
239.14299	19.1
257.07236	2.6
257.15341	100.0
257.18945	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	257.1536
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
50.18761	0.8
59.66419	0.7
62.32336	0.7
67.05483	1.3
72.45908	0.9
75.00078	0.7
79.05499	0.9
81.07062	3.5
87.75102	0.8
93.07034	1.9
95.08586	1.7
96.14591	0.8
105.07058	1.1
107.08595	12.6
109.06501	3.7
119.08572	9.7
120.97137	0.7
121.06506	3.6
121.10143	8.3
123.08054	3.8
131.08635	0.8
133.10072	1.3
135.08031	4.1
143.08598	1.1
145.10168	1.3
147.08060	1.0
149.09596	1.2
151.07582	3.5
157.10121	1.4
161.09644	1.0
173.09616	4.6
187.11037	1.0
187.14737	1.0
197.09554	1.0
201.09062	4.5
201.80669	0.8
211.14850	1.6
215.10733	1.6
215.14261	1.5
224.11937	1.4
229.15862	4.8
239.14310	4.9
242.13019	8.4
257.04428	4.0
257.15341	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	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
52.24762	1.2
55.05505	2.8
57.07051	1.2
59.24741	1.4
67.05501	2.8
67.66925	1.3
69.03422	2.2
69.07059	2.7
71.74348	1.1
76.25404	1.3
76.79066	1.2
79.05473	2.3
81.07047	8.5
83.04974	11.5
91.05457	6.4
93.07032	18.2
95.04955	3.0
95.08608	6.6
97.06509	2.9
100.03217	1.6
101.18875	1.3
101.39691	1.3
104.63744	1.2
105.07021	3.1
107.04931	2.5
107.08583	5.3
109.06512	1.8
109.10151	2.5
109.62708	1.4
111.08062	2.5
117.07018	2.0
119.08557	11.6
121.06445	2.1
121.10100	2.0
123.08024	1.6
123.11779	1.8
129.05473	1.6
129.06972	5.4
131.08546	5.2
133.06451	2.5
133.10129	4.9
135.08067	1.6
141.06958	5.7
143.08569	5.8
145.06502	2.8
145.10126	5.8
147.08034	8.7
147.11746	1.6
149.13284	1.3
155.08566	11.3
157.10089	2.7
157.70007	1.5
159.08038	19.1
161.09605	2.2
163.03917	9.3
165.07002	1.3
167.08615	2.1
168.09351	1.9
169.10120	12.1
171.08046	2.0
171.11642	1.3
173.09607	5.3
179.08543	9.5
180.09299	2.3
181.10036	2.5
182.07321	1.4
182.10918	2.3
183.08060	7.3
183.11661	10.7
184.08899	2.3
185.09578	2.0
187.14810	1.6
192.09238	2.2
193.10135	6.5
195.08104	2.0
195.11699	11.7
196.08824	2.5
196.12473	2.8
197.09572	20.0
197.13231	7.0
198.10300	2.8
206.10954	9.2
209.09625	7.7
209.13173	1.5
210.10341	9.5
211.11209	16.9
211.14799	12.1
213.12669	2.3
214.13228	1.3
215.14384	1.6
221.13248	13.8
221.15201	2.6
224.11977	11.6
229.08582	10.4
229.12242	1.5
229.15933	5.0
239.14296	61.9
257.04294	2.1
257.08102	10.7
257.11340	3.0
257.15344	100.0
257.18906	6.6
257.22696	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	257.1536
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
50.31989	0.7
51.11391	0.8
63.04669	0.8
63.68544	0.8
64.45891	0.8
69.30409	0.8
78.55328	0.8
81.56229	0.9
93.07028	1.5
95.08627	1.7
95.50673	0.8
96.71429	0.7
104.35196	0.8
105.07034	1.4
107.08582	6.9
109.06496	4.6
119.08569	9.2
121.06487	3.0
121.10143	4.5
123.08045	1.8
125.70004	0.9
132.95943	0.9
132.96907	1.0
133.10077	1.4
135.08078	3.3
151.07573	3.5
173.09633	4.4
183.11653	1.2
193.57137	0.9
201.09082	1.8
201.12814	1.1
208.59778	0.8
211.14755	1.0
215.10716	0.8
215.14375	2.1
220.80078	0.8
224.11928	1.0
229.15799	6.8
239.14262	3.2
242.12930	7.0
255.66074	1.0
257.04398	1.8
257.15326	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	257.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95396	3.5
55.05519	9.8
57.03463	3.6
67.05522	40.4
69.07066	37.4
71.04984	16.2
79.05504	17.6
81.07057	68.0
83.04973	5.0
83.08619	8.6
85.02901	67.9
87.04459	8.5
91.05476	17.2
93.07051	23.2
93.86086	4.3
95.08592	34.3
97.06538	6.3
99.04444	17.0
103.03934	6.5
105.07014	30.9
107.08593	8.7
109.06494	8.1
109.10145	8.7
111.04404	6.5
111.11708	4.6
113.02358	6.6
119.08590	33.3
121.10126	18.8
123.04359	4.8
123.08050	7.4
123.11740	16.7
131.08571	6.0
133.10130	10.2
137.13327	5.0
139.11195	10.2
143.08537	9.8
145.10129	5.6
147.11607	5.4
155.08467	5.6
155.14351	7.3
157.10147	9.3
159.11719	8.7
161.13272	24.8
161.29416	4.4
165.09055	4.8
169.10080	6.6
171.11685	4.6
175.14844	18.5
182.10962	4.7
183.11708	20.7
193.15878	5.7
197.13240	21.9
199.14807	22.8
203.14342	5.2
211.14795	5.2
221.15443	7.1
239.14262	7.5
239.16257	16.1
239.18285	6.0
257.15381	21.3
257.19000	100.0
257.22604	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
56.83615	1.1
57.03427	7.0
59.58636	1.1
59.70452	1.0
64.91010	0.9
65.54544	1.0
67.05505	5.7
68.11053	1.2
69.07042	1.7
78.94202	1.2
79.05472	2.5
80.46275	1.1
81.07057	6.4
83.08614	2.2
91.05473	5.0
93.07026	5.1
95.08588	7.5
98.68388	1.1
99.04762	1.2
99.08099	1.9
105.07009	7.1
107.04934	2.1
107.08572	3.0
109.10149	2.4
115.05404	1.3
117.06989	14.3
119.08586	10.0
121.10121	7.5
122.68542	1.3
129.07004	14.0
131.08559	16.1
133.10109	5.5
135.07948	1.2
135.11676	1.8
141.06927	2.1
143.08588	13.5
145.10123	38.1
147.11664	6.6
149.09682	1.9
151.11140	1.4
155.08566	5.0
157.10132	18.5
159.11673	35.3
161.09540	1.9
161.13252	1.5
169.10178	10.9
171.11633	8.7
173.13220	16.8
175.11137	1.6
183.11728	12.8
185.13248	63.5
187.11168	2.0
197.13297	10.6
199.14738	2.6
201.12720	2.8
201.16354	7.0
211.14793	5.7
213.16249	1.7
215.14471	2.2
229.15945	1.8
229.19507	2.8
239.17911	24.7
257.08173	1.6
257.11496	1.8
257.15433	3.2
257.18982	100.0
257.22275	3.1
257.22717	2.8
259.48517	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	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.53285	1.2
51.91153	1.4
53.55899	1.5
54.83755	1.3
55.05502	1.8
56.39513	1.4
61.49182	1.3
75.73035	2.1
79.05484	1.9
81.07040	2.6
82.08688	1.8
83.04974	1.5
84.09536	1.4
85.06526	2.0
91.05462	3.0
93.07035	11.4
95.04994	2.6
95.08595	7.4
99.71724	1.7
104.59532	1.7
104.78200	1.5
105.07001	11.5
107.04961	25.8
107.08587	13.5
109.06524	6.3
109.10130	10.5
109.42084	1.7
111.08097	2.1
119.08605	17.2
121.06493	1.6
121.10142	62.3
121.37148	1.6
123.11721	2.5
128.41501	1.6
129.07001	1.9
131.04942	2.1
131.08540	9.1
133.10136	8.0
135.08058	16.4
135.11652	6.1
137.09584	2.7
143.08563	9.7
145.10153	12.2
147.08057	2.5
147.11687	2.7
149.09648	3.8
150.81018	1.8
155.08545	2.8
157.10127	16.8
159.11687	11.9
161.13281	1.7
168.09375	1.8
169.10127	2.7
171.11667	9.0
173.13234	17.6
174.13995	2.0
175.14674	2.5
183.11699	10.7
187.11198	9.1
187.14832	2.4
197.13203	7.8
199.14786	27.9
201.12726	9.1
213.16365	10.2
215.14238	1.7
215.17946	10.7
231.09924	1.7
239.17836	15.5
257.08078	8.5
257.11752	2.2
257.18997	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	258.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42756	0.2
54.04565	0.2
57.03414	0.3
59.50318	0.2
60.08165	0.4
69.03420	0.4
70.06571	0.2
72.08139	2.1
81.03379	0.2
82.94377	0.2
84.04483	0.2
84.08121	0.2
85.02902	1.5
85.06516	0.3
86.09702	2.1
95.06078	1.1
97.02864	1.3
101.00867	1.1
104.10740	17.6
109.02869	0.4
109.07634	0.4
109.16782	0.2
110.07141	2.1
112.05076	5.3
113.00889	0.3
119.01905	1.1
124.99991	3.2
127.03892	0.4
131.01872	0.3
132.03362	0.3
141.03946	0.4
144.12068	0.2
145.03477	0.3
147.04015	0.3
152.05037	0.3
155.08150	1.8
156.07747	0.3
157.03476	0.8
159.04955	0.9
161.05490	2.5
166.01076	0.3
170.06032	1.1
170.08087	1.7
172.09723	0.3
177.06047	0.3
181.03499	0.2
181.81709	0.2
183.07651	1.1
184.02127	0.5
184.07336	2.0
185.02888	0.3
186.04640	0.3
197.12949	0.2
199.04590	0.4
212.13913	4.7
217.06825	100.0
219.07147	0.2
234.98843	0.3
235.06348	2.9
241.15456	0.5
253.07732	2.7
258.08426	0.8
258.11011	4.3
258.14505	5.7
258.17920	1.9
276.09366	0.5
277.07672	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
58.88109	0.3
64.58251	0.4
70.06579	1.6
72.08150	3.3
72.93794	0.4
82.06561	2.7
84.04504	12.7
84.08141	59.7
84.40135	0.4
85.02884	0.8
86.09685	0.5
101.10768	2.6
101.32335	0.5
108.04425	0.7
109.02881	0.5
109.62447	0.3
110.06039	0.5
110.09673	1.8
111.09162	0.7
111.17041	0.4
112.07571	0.7
113.96432	0.4
124.03925	0.5
124.07552	0.5
126.05515	0.5
126.07455	0.5
127.03923	0.4
127.12256	0.5
128.07013	0.6
129.10233	100.0
130.05002	6.8
132.95850	2.2
138.09145	2.9
139.03889	0.5
140.10725	1.6
144.95834	0.6
155.11795	0.5
158.97423	4.3
166.12122	0.4
170.04977	0.6
170.11798	0.7
172.99059	0.5
176.98438	0.5
186.07675	1.0
186.96869	0.8
194.12910	0.4
195.11252	4.1
209.16513	0.7
211.19133	0.4
216.97891	4.3
217.06816	14.4
226.19118	3.4
234.99010	10.2
240.13478	3.1
240.20720	1.7
241.09247	0.6
241.11885	0.8
258.00668	3.7
258.09625	1.9
258.14444	4.9
258.21741	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	258.2428
Annotation	Andrachamine
Peak:m/z	Relative Intensity
51.60235	1.4
52.41367	1.8
57.07084	26.3
58.06589	2.3
61.65137	1.6
62.06093	18.2
62.06354	2.1
62.49982	1.7
67.40459	1.5
69.73732	1.6
71.08613	10.2
72.04517	19.1
85.10162	2.9
86.06058	1.6
90.05550	2.1
165.13089	1.7
175.90381	1.6
178.75258	1.8
188.82210	2.1
205.15089	1.7
212.23691	12.3
217.06787	15.4
230.24783	100.0
240.23196	37.6
258.24280	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.0
62.97410	0.7
69.36492	0.7
73.26522	0.7
98.12769	0.8
98.97579	100.0
109.55083	0.8
116.98611	48.1
134.99638	12.6
140.00212	0.9
190.01396	0.8
196.98347	1.0
212.66602	0.7
233.67130	0.8
240.98605	3.9
258.99731	57.8
276.97723	1.4
277.00793	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	259.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28831	1.9
57.90170	2.3
59.53083	2.2
149.02350	5.3
213.05537	3.1
231.06586	3.5
259.04108	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	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47521	1.7
52.01627	2.0
54.18380	1.8
55.90265	2.0
58.75773	1.9
90.54592	2.3
134.97646	2.3
149.02272	3.4
213.05431	15.8
241.04950	3.8
259.04083	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	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51801	1.1
90.87701	1.3
99.46947	1.3
130.36592	1.5
139.00043	2.1
153.33696	1.5
199.02109	16.5
241.03148	6.9
259.04230	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	259.0966
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
55.01868	2.0
56.28168	1.0
57.44863	1.0
67.48240	1.3
68.99801	1.1
71.01373	1.1
78.08201	1.1
79.05505	1.6
81.07058	2.3
89.43745	1.4
90.87595	1.6
91.05468	2.2
93.07015	2.0
95.04954	5.8
95.08593	2.1
105.07008	2.8
107.04953	27.4
107.08633	1.6
109.06493	1.9
110.03632	1.4
116.98553	1.2
119.08548	2.7
121.02878	1.5
121.06494	11.3
123.04422	8.5
128.06236	1.5
129.07010	2.7
131.08498	4.1
134.03607	5.0
135.04413	40.7
135.05383	2.3
137.05951	4.8
139.05444	2.0
143.08595	5.5
145.10074	1.8
149.02338	41.1
149.05977	9.6
150.03099	1.9
150.06750	5.2
152.06056	1.4
153.06998	13.7
153.99005	1.3
157.06471	11.1
157.10185	4.1
159.08049	1.4
159.11703	1.9
167.04883	1.6
169.06429	1.4
171.08034	10.7
173.13116	1.3
175.07559	1.7
181.06459	34.9
184.05151	2.4
185.05946	7.1
187.14896	1.4
195.04378	11.1
195.08032	1.7
198.06671	2.6
199.07545	70.2
209.05939	9.5
210.06633	1.2
212.04733	1.9
213.05447	10.0
213.09096	7.9
213.16425	1.3
215.07127	1.4
226.06116	2.3
227.07008	57.0
228.07806	2.8
231.06494	32.0
231.10144	1.6
241.04958	8.2
241.08475	2.6
241.15891	5.3
244.07202	5.3
259.06030	26.9
259.09637	100.0
259.16931	13.7
259.20395	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	259.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93879	4.7
63.68815	5.4
67.05499	22.8
70.06583	30.8
71.04987	13.2
71.25735	5.0
84.08150	21.4
85.06519	11.7
92.54298	7.0
95.04970	9.5
105.11097	8.5
113.05997	100.0
114.24014	6.1
128.10724	25.8
129.10262	11.8
129.67625	6.1
130.04968	8.5
130.06509	8.7
130.08632	42.9
142.51630	5.6
145.18619	6.4
147.11324	7.7
157.21806	5.8
172.09688	24.8
182.11790	8.4
189.12378	26.5
259.02164	8.8
259.16623	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Bactacine
Peak:m/z	Relative Intensity
57.64644	4.0
57.70053	4.5
58.89211	3.7
67.05499	7.1
73.25629	3.9
79.05480	7.5
81.07039	11.3
83.08630	6.3
91.05457	20.9
93.07052	6.0
95.08576	8.1
105.06997	40.9
107.08575	5.0
117.06974	5.7
119.08575	31.3
123.08167	4.6
131.08574	10.6
132.24953	4.8
133.10115	39.1
143.08566	5.9
145.10098	21.8
147.11679	21.5
157.10120	6.7
161.13290	6.1
163.97787	5.6
171.11745	6.8
178.23659	4.5
241.19519	11.0
259.06128	5.7
259.17145	13.5
259.20544	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.58060	3.1
69.07056	21.0
71.04981	22.8
74.18117	3.5
81.07005	11.0
83.08620	7.2
85.06540	15.7
91.05463	5.5
93.07047	6.1
95.08590	8.8
97.06518	3.8
105.07043	8.9
107.08588	21.5
109.10135	17.6
111.08098	5.1
119.08576	36.0
121.10117	15.2
123.11736	18.8
131.08517	7.7
133.10159	26.3
135.08073	6.4
135.11662	4.5
143.08475	3.7
145.10110	22.6
147.11688	18.9
153.16823	3.7
157.10097	14.8
159.11647	28.0
161.13272	23.0
171.11693	7.6
175.11151	3.7
175.14819	77.6
177.16331	4.4
185.13211	7.1
189.16483	4.6
201.16319	36.7
203.14395	6.6
241.19521	6.3
259.16968	4.4
259.17545	5.2
259.20554	100.0
259.23730	4.1
259.24234	3.5
264.38263	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	260.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70116	0.8
56.96560	6.1
60.86598	0.8
62.78890	0.7
70.06592	1.4
81.84167	0.8
84.08139	5.1
84.96035	3.9
86.09683	3.8
95.41066	0.9
98.97575	19.1
99.25357	0.9
109.02856	6.4
110.97574	1.9
112.99114	1.5
116.98622	6.0
124.99090	7.5
128.98631	1.1
131.00172	1.5
140.98587	5.2
143.00154	14.8
152.05334	1.0
158.99683	8.2
161.01248	4.2
177.00708	4.8
201.00786	1.2
219.01755	14.6
224.09233	2.2
237.02792	100.0
255.03859	51.2
260.04254	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	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
56.05043	1.6
56.96556	0.4
67.05518	0.6
68.05020	0.4
69.07053	0.7
69.84724	0.4
70.06611	0.5
71.04991	0.4
72.08160	3.9
74.17995	0.4
76.99250	0.4
84.04493	3.8
84.08143	100.0
85.02912	0.5
85.06569	0.6
86.09704	19.5
96.36407	0.5
98.06076	0.7
98.97581	1.7
101.07103	0.5
101.10779	2.9
102.09187	0.5
112.29817	0.4
114.05547	0.7
122.06023	0.5
126.05499	3.0
127.03903	0.5
128.04533	0.6
129.10231	13.5
130.04993	12.6
130.08632	6.8
131.11861	0.5
136.03941	5.3
143.11760	0.5
147.07639	14.0
147.10155	0.6
147.11276	11.5
152.14450	0.4
155.03423	0.9
158.04562	0.4
168.06519	0.4
172.06027	2.2
177.00696	0.6
182.04474	6.6
183.02942	0.7
196.06039	0.5
197.16420	0.9
200.10318	1.0
201.03885	0.6
214.05214	0.8
214.07091	11.3
214.10614	1.3
219.01799	0.9
226.14325	0.7
232.11424	0.5
237.02814	0.7
242.18446	0.5
243.13304	0.8
243.14619	0.5
243.16982	7.2
260.07645	5.3
260.11435	2.4
260.16010	3.5
260.19662	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	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76110	0.7
56.05022	2.9
57.07089	5.9
58.06604	11.1
71.08623	3.0
74.06051	0.8
85.10185	0.9
88.07151	1.0
88.07630	18.1
92.07111	11.2
97.95509	0.8
101.12279	0.8
104.79838	0.7
156.23198	0.6
180.50043	0.7
206.81647	0.8
212.23721	70.9
242.24796	5.3
253.77844	0.7
260.25833	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	261.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17839	0.3
56.96552	2.3
84.96028	0.4
85.23904	0.4
89.54450	0.4
90.09058	0.4
98.17336	0.4
98.97574	17.0
99.97890	0.4
102.96903	0.6
110.97559	1.9
112.99108	0.4
116.98608	7.4
119.01894	1.7
124.99040	0.6
128.98601	0.5
134.99629	1.5
136.99010	0.4
140.98584	0.8
142.69511	0.5
152.98563	1.4
155.00131	0.5
158.99655	2.2
164.98676	0.4
170.99644	2.9
173.01201	1.5
176.24193	0.4
177.00890	3.1
182.99638	2.0
197.01140	0.6
201.00772	5.5
203.66479	0.4
217.03995	0.6
219.01903	14.6
225.00896	0.9
237.02766	2.5
237.98160	0.6
243.01959	21.8
260.48737	0.4
260.95798	1.6
260.99789	5.1
261.03021	100.0
278.96902	1.8
279.00568	3.7
279.03720	0.9
284.04727	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	261.0393
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
54.62447	0.2
55.18047	0.2
81.03407	0.3
87.65620	0.2
90.39246	0.2
92.18504	0.2
95.08614	0.3
123.04417	1.6
139.03940	0.2
142.07774	0.3
143.08609	0.2
151.03847	2.6
153.06891	0.2
155.08516	1.4
156.09300	0.3
157.10118	5.7
159.04431	0.3
167.08485	0.2
169.10101	1.3
171.11678	0.2
181.10132	0.5
182.10887	1.0
183.11601	0.3
187.03873	4.8
191.18977	0.2
191.52139	0.2
195.11665	0.4
197.13342	1.9
207.11626	0.3
215.03389	4.4
215.07138	0.2
219.02847	0.2
221.02744	0.3
225.12624	0.2
233.04414	1.0
243.02856	15.5
243.13766	10.6
261.03912	100.0
261.14539	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	261.0757
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
63.39424	0.8
64.52444	0.8
68.99786	2.1
69.69861	0.8
71.06612	0.9
81.03430	2.1
83.04965	1.4
95.04933	1.6
95.09550	1.2
102.21271	0.9
107.04955	14.7
109.02871	1.5
111.00828	1.9
120.04463	1.0
121.04821	1.4
123.04433	68.0
127.03928	9.9
131.04942	9.2
135.04399	9.2
136.05161	2.4
137.02391	1.4
141.06630	5.3
142.06923	4.0
149.02391	1.9
149.05977	11.0
151.03906	100.0
152.04674	5.0
153.05496	1.1
159.04417	10.2
169.06548	1.3
173.06020	3.8
175.07520	1.0
177.05447	9.0
187.88118	1.0
197.06050	4.8
215.07051	9.1
219.06610	1.4
225.05431	2.3
233.11232	1.2
243.06430	7.4
261.07611	50.1
261.10651	5.2
279.11722	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	261.0757
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
65.07054	1.0
70.89377	1.1
79.77705	0.9
81.03395	1.7
95.04942	3.9
95.90792	1.2
107.04965	14.2
109.02866	2.4
111.00821	1.7
123.04423	63.1
127.03899	8.7
131.04936	11.6
135.04388	9.7
136.05203	1.6
136.85388	1.0
139.03870	2.4
149.02362	1.2
149.05984	11.2
151.03903	100.0
152.04663	6.5
153.05373	1.5
158.05814	1.1
159.04424	7.8
173.05952	5.4
175.07494	1.3
177.05437	10.4
181.21075	1.1
197.05991	4.8
201.05406	1.4
215.07037	8.0
219.06548	1.3
225.05443	2.6
243.06461	7.0
261.07553	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
50.56454	0.4
55.01867	0.6
55.05532	0.5
56.05046	0.4
56.96565	0.5
59.89605	0.3
61.02936	1.0
62.25715	0.3
67.05506	0.5
69.07062	1.8
72.08141	2.1
73.08491	0.7
81.03423	2.6
83.04978	0.5
84.04507	4.6
84.08135	5.5
85.02877	0.5
85.08484	0.4
86.09705	100.0
87.04443	0.5
97.57243	0.4
97.91788	0.4
98.06052	0.4
98.98459	0.7
101.02402	0.4
102.05529	2.5
109.02866	7.6
111.04467	0.5
117.01852	0.4
124.07559	0.5
125.02361	0.8
127.03959	1.0
130.04996	6.8
130.08659	1.8
132.06630	0.7
137.02347	5.1
139.03905	5.0
141.01868	1.9
143.03426	0.4
143.11794	0.9
144.12183	1.5
148.06041	16.4
151.03900	3.7
152.07066	0.5
155.03391	22.7
158.11786	2.0
167.03410	5.6
179.03413	1.9
182.77061	0.4
195.02921	0.5
197.04483	4.6
215.05493	7.6
215.14076	0.7
218.23386	0.4
225.03998	0.8
243.05035	4.5
243.13522	0.5
261.03897	0.6
261.06445	0.6
261.09622	2.2
261.14426	12.7
261.17575	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	261.1446
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.05046	2.0
83.68491	0.6
84.04504	52.7
86.06068	3.2
86.09705	100.0
93.13401	0.5
102.05526	2.5
107.59991	0.5
111.76720	0.5
114.05562	0.9
123.04413	1.2
130.04994	14.4
132.10197	50.6
142.04953	4.5
151.03889	1.0
152.10713	2.4
169.08577	2.9
170.11798	0.7
173.19377	0.6
198.11232	11.1
216.27390	0.6
222.57294	0.6
243.13426	0.7
244.11768	11.1
261.07477	0.5
261.14426	18.6
261.16949	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	261.1447
Annotation	Glu Leu
Peak:m/z	Relative Intensity
50.23545	0.5
56.05032	2.6
57.03411	0.5
69.03430	0.8
69.07068	0.6
71.04983	0.8
72.08147	1.4
78.42535	0.5
81.03420	1.1
81.07034	1.4
81.42111	0.5
81.53634	0.5
84.04508	87.6
85.02911	29.5
86.09709	100.0
95.01331	1.3
95.04969	0.9
99.00835	0.6
99.04456	1.3
102.05544	19.6
109.02896	0.8
113.02375	0.6
113.07136	0.9
123.04413	1.2
127.03902	3.0
129.06578	5.6
130.05006	0.7
131.04987	0.8
132.10207	60.9
141.01820	11.4
141.06631	4.9
151.03900	1.4
151.07590	0.6
152.10709	1.1
162.07597	1.4
197.12852	49.1
201.03992	0.9
215.03351	0.7
220.11850	1.1
221.85329	0.6
225.12341	5.0
243.02789	0.6
243.13391	56.1
246.14154	0.7
261.04160	1.8
261.07626	2.4
261.16565	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	261.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62159	0.5
54.42103	0.4
56.05034	0.9
56.64379	0.5
66.74017	0.5
69.07064	4.9
84.03741	0.8
84.04506	47.3
86.09705	100.0
102.05527	1.0
107.04930	0.7
123.04413	3.4
130.04996	14.6
132.10202	42.1
135.04395	0.6
144.10220	1.0
151.03880	6.2
170.11745	6.2
177.05331	0.6
198.11244	13.1
243.13272	0.6
244.11742	9.9
256.50320	0.6
259.20264	0.6
261.07602	3.7
261.14404	17.5
272.40875	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	261.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31793	0.7
55.01854	1.0
55.05521	12.6
56.05048	9.4
56.96568	13.9
58.06604	7.0
58.49417	0.7
62.18430	0.9
64.29124	0.9
69.03429	1.6
70.06600	1.7
70.47478	0.8
71.04636	0.9
71.04997	22.8
72.04135	1.3
72.04520	33.2
73.06167	1.0
73.06559	20.4
74.06065	6.2
84.04485	1.7
84.08140	2.2
84.96027	3.8
85.02898	1.8
85.07650	2.2
86.03698	1.0
86.06055	9.7
97.02879	1.5
98.06044	4.4
98.96964	1.4
98.97586	35.3
99.04485	1.5
100.07625	2.3
102.05535	3.9
102.09173	3.8
110.09662	1.4
110.97567	6.3
112.99070	1.3
113.07125	1.8
114.05521	4.1
116.03422	1.6
116.07114	2.0
116.98621	17.7
118.08624	1.5
124.99078	1.2
126.09171	8.9
128.03418	5.2
128.07071	1.8
128.10710	12.0
128.98611	8.4
130.05057	6.6
130.12271	4.1
131.00209	1.7
134.99635	2.0
136.99132	1.3
140.07080	1.6
140.98592	4.8
141.54659	1.0
142.05109	1.7
143.00125	4.5
143.08168	3.5
144.06606	9.0
144.10199	59.6
146.11766	4.6
146.99649	2.3
148.03319	1.7
148.53751	1.4
151.05710	4.9
152.98581	1.6
154.53813	1.7
155.00136	4.8
155.04150	10.8
155.11789	1.5
156.06529	16.2
157.05717	5.5
157.13338	4.3
158.08122	54.6
158.11754	15.9
158.99667	7.1
161.01166	1.9
161.02966	1.4
162.04974	1.7
163.02780	1.5
163.54253	6.1
164.04634	1.4
165.02202	1.2
170.99615	10.4
171.05400	7.1
172.54814	11.6
173.01224	4.6
173.09239	3.6
174.07611	1.7
177.00670	4.9
180.05994	11.4
181.55376	4.3
182.99573	8.4
186.99144	1.4
189.00685	7.0
189.06653	1.6
189.08667	4.8
191.02422	1.6
191.08546	1.4
191.10268	37.3
197.01184	1.2
201.00719	18.4
201.04257	1.4
207.01837	1.3
219.01761	21.1
219.05229	2.1
227.06248	1.1
235.01370	1.5
237.02847	7.9
237.06361	1.2
242.99486	2.1
243.01768	3.8
243.07295	4.5
243.13438	1.5
244.56963	12.5
252.08118	44.1
252.58154	2.3
260.95969	3.8
261.03131	11.6
261.05594	1.7
261.08719	14.7
261.14459	100.0
261.17999	13.7
272.59406	1.2
279.03821	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	261.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65894	0.2
50.87978	0.2
54.56646	0.2
67.42802	0.2
69.03428	0.2
71.04966	0.3
75.92943	0.2
79.05486	0.4
81.07051	1.3
84.13938	0.2
93.07045	0.3
94.04078	0.2
107.08541	0.3
108.48077	0.2
116.03452	1.0
119.03529	0.5
123.04404	0.3
128.07915	0.2
136.06180	100.0
137.04604	0.3
151.03929	0.3
155.08682	0.3
161.09480	0.3
164.26398	0.2
187.11201	0.3
234.13495	1.4
261.14560	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38332	0.3
57.30455	0.3
64.59679	0.3
78.01306	0.4
81.03422	0.4
81.07054	0.8
119.03563	0.5
136.06180	100.0
201.07430	0.4
205.97769	0.4
234.13498	2.3
261.14557	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76155	0.8
52.87843	0.6
69.07079	1.1
70.62311	0.8
71.85264	0.8
72.56496	0.9
74.51621	0.7
79.22786	0.7
80.30208	0.7
81.07080	1.3
95.08601	1.2
105.07036	1.8
119.08566	1.1
123.04436	0.8
151.03873	0.8
155.08482	1.5
165.23122	0.9
169.10155	1.1
193.10106	1.4
204.09373	1.7
205.10138	4.6
206.10916	4.5
216.09444	1.1
217.10085	5.1
218.10876	4.0
219.11693	12.4
220.12480	1.7
231.11676	21.9
232.12457	7.1
233.13187	4.9
246.14024	39.2
246.16579	1.6
248.98990	0.8
250.92111	1.1
259.14578	1.1
261.16367	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	261.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87436	1.4
67.22987	1.3
70.55764	1.5
83.26103	1.7
87.09274	1.4
118.66817	1.6
119.08566	1.9
141.16147	1.8
203.08440	1.7
204.09352	1.9
205.10199	3.2
206.10941	2.2
217.10109	3.3
218.10901	3.3
219.11627	7.3
231.11697	27.9
232.12491	6.8
233.13263	2.8
246.10274	3.1
246.11423	2.0
246.14001	45.9
261.12805	11.6
261.16367	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	261.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80478	0.5
88.16015	0.5
104.62259	0.6
105.07040	1.1
119.08588	0.9
155.08536	2.2
155.85428	0.5
169.10033	1.1
191.08556	0.7
193.10065	0.8
196.97363	1.2
202.46875	0.6
203.08519	1.1
204.09334	2.5
205.10094	4.5
206.10928	5.5
216.09322	1.2
217.10121	3.8
218.10889	3.4
219.11649	12.8
220.12354	2.1
230.10767	0.7
231.11664	26.8
232.12395	5.3
233.13261	2.8
245.13264	1.1
246.14003	43.6
261.16351	100.0
265.18234	0.5
270.44922	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	261.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
79.30387	1.1
110.75527	1.1
115.73805	0.9
125.58678	1.0
131.60553	1.0
156.93436	1.0
204.09312	1.4
205.10051	3.7
206.10895	4.5
212.74995	1.2
216.09398	1.5
217.10092	5.0
218.10881	1.4
219.11655	11.1
231.11694	28.1
231.63445	1.1
232.12419	6.1
233.13187	1.6
245.13338	1.0
246.14003	39.9
259.14993	1.1
261.16367	100.0
267.48572	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	261.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14970	0.8
55.03874	0.8
64.40323	0.9
81.59769	0.9
119.08572	1.3
151.03915	1.5
185.11845	0.9
205.10162	2.2
206.10869	4.4
217.10124	2.1
218.10999	3.6
219.11629	10.2
220.12469	1.2
231.11641	22.4
232.12393	7.8
233.13263	4.7
246.10304	1.6
246.14032	37.4
261.16382	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	261.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76704	0.6
105.07066	1.0
107.08570	0.7
112.31615	0.7
115.78908	0.7
119.08586	1.0
123.04389	1.0
152.98459	0.9
170.99466	1.3
176.00073	1.2
192.09262	0.8
194.01109	3.6
203.08527	1.2
205.10121	3.0
206.10921	3.8
217.10193	3.4
218.10907	2.8
219.11690	9.7
219.81181	0.7
220.12430	2.5
231.11681	22.7
232.12363	5.6
233.13272	4.7
246.14027	41.9
259.14774	0.8
261.16379	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	261.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
55.09972	1.0
55.43824	1.0
56.96568	6.9
57.03427	1.7
58.06604	2.6
61.02925	1.3
67.05515	1.8
69.03426	2.6
69.07063	7.5
70.06586	1.8
71.04996	2.3
72.08135	4.7
73.02888	1.7
81.03417	3.1
83.04964	1.5
84.04491	5.3
84.08144	94.6
85.02904	6.4
85.08472	7.6
86.09705	100.0
87.10030	1.4
95.04932	1.4
97.02891	7.0
98.06052	3.0
98.97580	14.9
99.04443	2.7
101.06025	13.0
103.59498	1.4
109.02889	1.9
110.97608	2.0
112.07629	2.0
112.99151	2.3
114.09137	2.4
116.07062	1.7
118.08719	2.0
126.09132	29.0
127.03907	5.1
128.98613	2.0
129.10226	1.7
130.04970	9.7
130.08635	36.7
130.12280	12.4
131.00119	3.2
140.14359	1.8
140.98605	2.0
143.00166	3.0
143.11839	6.1
145.01707	2.5
146.99654	2.2
147.07661	1.7
147.11284	2.3
148.06046	12.2
149.02855	2.3
158.06042	3.2
158.11755	96.5
158.99635	3.1
163.02779	1.5
169.04431	11.5
170.99634	2.5
172.09618	2.5
178.04922	17.5
186.14799	2.5
189.00690	1.5
192.04732	1.4
201.00775	3.3
210.75247	1.6
215.17635	6.3
219.01770	7.6
225.15945	2.4
229.03160	8.5
237.02859	2.5
261.05905	58.8
261.09650	15.3
261.14508	16.6
261.18097	66.6
261.21069	3.2
261.21701	2.5
269.05658	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.01424	0.9
54.35434	1.0
55.05513	2.4
63.18085	1.0
63.76161	1.0
64.15598	1.1
64.39597	1.0
64.89490	1.2
66.02174	1.0
67.05512	15.8
69.07054	7.2
69.98697	1.0
79.05502	19.4
81.07058	18.1
83.08593	2.0
85.06548	2.0
91.05466	5.9
93.07049	26.2
95.08593	15.7
97.06518	1.9
99.08099	1.3
105.07023	6.1
107.08594	27.2
109.10144	9.1
117.06998	1.3
119.08591	8.4
121.10137	22.3
123.11718	2.3
127.07846	1.1
131.08549	6.9
133.10141	9.7
135.11688	23.5
143.36757	1.1
145.10136	6.9
147.11720	10.7
149.13243	16.7
159.11693	5.9
161.13242	7.2
161.40080	1.2
163.14809	16.7
166.03175	1.1
173.13289	6.2
175.14914	1.2
177.16296	2.4
187.14806	6.0
201.16312	1.8
224.00931	1.1
243.21074	27.0
252.16933	1.3
254.90053	1.2
261.22122	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	261.2213
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
55.05514	3.2
57.07072	1.8
63.97163	1.4
67.05508	21.3
69.07062	2.6
79.05501	30.8
81.06631	2.0
81.07059	31.0
83.08618	3.1
91.05488	11.5
91.39384	1.4
92.18459	3.4
93.06498	2.2
93.07039	43.3
95.08602	21.1
97.10142	1.8
97.98750	1.2
105.07010	13.6
105.27972	1.4
107.08596	35.4
109.10141	12.5
114.36786	1.2
117.07001	2.1
119.08611	11.1
121.10139	33.4
123.04414	1.9
123.11695	1.7
131.08565	9.5
133.10115	10.6
135.11682	38.2
145.10121	8.6
147.11655	8.1
149.13239	24.4
159.11688	9.7
161.13246	10.5
163.14815	17.3
173.13223	9.1
175.14816	3.2
177.16383	3.3
187.14731	4.7
188.02016	1.5
201.16293	1.7
214.58427	1.2
231.11688	7.9
233.13086	1.7
243.21069	27.9
246.14023	13.6
261.16388	28.5
261.22110	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
51.25079	1.5
55.05507	6.8
56.96573	1.8
67.05513	19.1
67.67899	1.7
69.07056	9.0
79.05482	20.5
81.07060	28.6
91.05449	10.0
92.18554	2.2
93.07041	37.5
95.08603	22.0
97.06477	2.1
99.08086	2.2
100.99086	2.0
105.07009	11.2
105.18401	2.3
107.08611	26.5
109.10131	11.1
111.08010	1.7
112.19763	1.9
117.07011	2.1
119.08568	10.2
121.10141	35.9
123.11710	2.1
131.08524	8.6
133.10081	10.8
135.11682	28.0
145.10080	12.3
147.11684	11.8
149.13235	24.1
159.11638	7.9
161.13249	8.4
163.14795	11.9
173.13211	7.0
175.14755	2.9
187.14793	9.3
201.16396	2.4
221.15555	1.8
231.11647	2.8
243.20978	23.7
246.14030	10.0
261.16293	22.7
261.22113	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	261.2214
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
55.05508	4.0
57.07079	2.9
66.20152	1.6
66.22006	1.9
67.05506	24.0
68.51001	1.9
69.07042	4.4
79.05499	27.9
81.07059	32.1
83.08599	3.9
91.05474	16.8
93.07040	50.2
95.08612	29.2
97.10128	2.1
99.08093	3.6
105.07011	10.7
107.08596	30.9
109.10118	13.0
111.08089	2.7
119.08562	15.0
121.10139	36.9
123.11666	2.6
131.08565	9.8
133.10126	9.3
135.11694	34.9
145.10109	7.8
147.11665	10.4
149.13252	27.8
152.90112	2.3
159.11620	4.6
161.13258	11.8
163.14809	20.1
173.13231	4.5
175.14742	3.1
177.16342	2.7
177.27426	1.9
187.14804	6.9
243.20979	26.4
261.22107	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.51309	0.9
55.05505	3.2
57.07069	2.6
65.03898	1.4
67.05229	1.1
67.05506	21.0
69.07059	7.3
70.49625	1.1
71.04965	1.2
76.94409	1.4
79.05490	28.4
81.06579	1.8
81.07056	30.9
83.08617	6.3
84.90116	1.2
91.05471	9.9
93.07041	43.3
95.04956	1.9
95.08585	22.1
97.10165	2.0
99.08058	1.8
105.07014	10.9
107.08592	32.6
109.10168	11.7
111.07986	2.4
117.07000	2.6
119.08565	12.5
121.10127	39.1
123.11669	2.1
131.08554	10.1
133.10115	11.3
135.11697	31.8
144.75150	1.2
145.10130	11.6
147.11710	9.2
149.13260	27.6
159.11670	8.6
161.13251	9.3
163.14841	17.6
173.13260	7.5
175.14706	1.7
177.16382	4.8
187.14815	2.8
201.16348	2.0
211.20256	1.3
243.21071	28.5
261.12894	1.6
261.22104	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	261.2213
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
51.06000	3.0
67.05496	25.1
69.07064	5.5
71.08633	3.5
75.12120	3.1
75.84151	3.4
79.05490	18.0
80.49378	4.0
81.07054	29.9
83.08609	5.6
91.05470	13.5
93.07034	27.3
95.08614	30.2
97.06528	3.6
105.07033	15.6
107.08600	20.1
109.10126	19.6
117.06994	4.4
119.08562	15.7
120.65819	3.5
121.10131	49.4
122.01177	3.6
123.04405	5.0
123.07946	3.3
123.11734	4.4
131.08566	20.0
133.10138	19.5
135.11726	26.1
145.10136	6.3
147.11673	18.9
149.13245	13.8
151.03914	4.7
159.11681	5.6
161.13289	26.1
173.13335	6.7
219.11772	6.0
222.26935	4.1
231.11603	17.9
243.21059	27.2
246.14018	23.2
261.12958	6.4
261.16388	43.7
261.22095	100.0
261.26038	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	262.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09277	0.4
53.59668	0.3
56.05039	10.6
56.98064	0.4
71.31428	0.4
74.06059	2.9
75.85464	0.4
88.09547	0.4
91.05446	1.1
94.06567	0.4
119.04898	0.4
123.08887	0.5
128.90221	0.5
132.08086	29.8
132.09090	1.0
134.09641	3.9
147.04404	1.1
150.09109	2.3
160.07570	1.8
168.79823	0.4
174.09108	0.7
178.08624	20.7
183.49686	0.5
190.49237	0.5
194.04114	0.5
202.08597	2.0
219.11536	0.7
220.09679	100.0
239.24823	0.5
247.11163	5.3
262.13580	6.0
262.16495	0.6
262.25204	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	262.1186
Annotation	Imazapyr
Peak:m/z	Relative Intensity
56.17761	0.7
60.84217	0.8
89.63752	0.8
93.23265	0.9
98.65415	0.8
114.75229	0.9
134.06059	1.0
148.07539	4.8
151.03795	1.2
175.08652	18.9
199.08696	4.0
201.06558	19.2
203.08124	12.6
216.11334	18.3
217.09756	1.4
219.07655	1.8
227.08206	1.5
228.07536	1.0
229.08388	1.5
232.10759	3.9
234.09445	1.4
242.09186	3.3
243.09995	5.2
244.10788	51.9
262.11850	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	262.1287
Annotation	Mycosporine
Peak:m/z	Relative Intensity
56.87690	0.5
56.96578	3.9
71.04978	1.1
72.04507	0.6
74.06075	4.8
75.06306	0.5
80.04984	0.5
82.06568	0.6
85.02879	0.6
86.06038	0.6
86.61829	0.5
92.07138	0.8
95.04910	0.7
97.99174	0.8
98.06042	1.0
98.97578	25.2
100.07616	0.7
102.05505	0.9
110.06013	2.8
111.06807	0.6
116.07077	2.0
116.98599	7.9
121.80829	0.5
124.07577	2.4
125.05975	1.0
126.05482	0.6
128.07014	1.1
132.39693	0.5
134.05989	1.3
134.99660	0.9
136.07559	0.7
138.05455	1.0
140.07028	3.2
141.07780	1.0
142.08609	2.3
143.00186	0.6
146.08063	0.6
148.07631	0.6
152.07005	2.9
154.08632	1.1
156.06488	0.6
158.99615	1.2
159.08490	0.9
161.01175	3.5
162.11235	1.0
166.08583	3.4
169.07297	0.9
170.08017	1.1
179.02257	7.3
180.06465	0.7
182.08083	2.3
184.02795	3.6
184.04315	0.5
184.09641	3.1
185.10460	0.8
187.08356	2.5
188.09129	3.6
194.08089	5.9
196.09706	0.7
197.03221	1.0
198.11269	0.9
202.03874	2.7
212.08960	1.2
214.10655	2.0
216.08763	9.3
216.12302	17.0
221.03304	8.6
226.03870	0.8
226.10677	2.8
239.04369	5.3
244.04924	4.0
244.11685	4.7
247.10431	0.9
253.07996	0.6
258.93427	0.6
262.12796	100.0
276.50342	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	262.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56392	1.4
71.08629	42.6
82.91473	1.6
91.05460	15.4
98.09660	1.8
99.08090	21.2
109.43749	1.6
118.06529	62.1
118.20450	1.4
119.04932	32.1
136.07573	100.0
164.07091	3.1
188.90407	1.3
234.14896	16.6
262.14343	14.7
262.16812	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	262.1437
Annotation	3',4'-Methylenedioxy-alpha-pyrrolidinobutiophenone 
Peak:m/z	Relative Intensity
51.81879	0.5
55.86117	0.5
58.64689	0.4
66.14641	0.5
69.50590	0.5
74.90070	0.4
80.47649	0.4
89.01644	0.5
91.05476	0.6
98.06045	2.5
99.08038	0.5
113.26683	0.5
114.74075	0.5
118.06498	0.9
136.07550	1.0
139.84680	0.4
159.16898	0.5
202.12158	0.8
203.13116	0.9
206.08040	1.2
220.12009	0.5
246.11284	1.1
247.12032	5.0
247.14258	0.7
262.14352	100.0
271.36780	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	262.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86443	0.4
57.03444	4.1
57.07068	0.6
64.06067	0.5
67.05509	4.9
69.07080	0.7
71.04996	0.8
71.08270	0.5
71.08635	9.5
81.07034	1.2
83.08611	0.9
84.35576	0.5
85.06531	0.8
98.06031	0.6
99.08098	5.7
109.10134	4.0
127.11189	15.0
136.06181	71.3
147.04362	2.2
176.64278	0.5
232.94060	0.7
244.15514	1.1
258.42722	0.5
260.10889	0.6
262.16617	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	262.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91239	0.4
67.05496	0.8
68.28579	0.6
68.55412	0.6
71.08260	0.9
71.08629	20.6
79.17519	0.5
79.61089	0.6
99.08076	13.6
127.11185	12.3
136.06181	83.9
154.37265	0.5
262.16605	100.0
282.89691	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	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	3.9
68.14454	0.7
70.06593	10.4
71.08624	4.1
88.07627	22.8
94.32644	0.8
98.14129	0.7
102.09188	13.9
103.05459	0.9
137.09019	0.8
154.58174	0.7
156.17476	0.9
200.20096	71.6
244.22672	3.4
262.23755	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	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.07076	4.6
59.44220	0.5
64.35814	0.6
68.78908	0.5
70.06267	0.6
70.06590	10.2
71.08606	3.5
88.07625	23.9
91.02848	0.6
91.80599	0.5
93.27618	0.6
102.09183	14.3
146.11754	1.0
156.17477	0.9
184.11229	0.7
200.20085	76.8
244.22758	4.8
262.23746	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	262.2375
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
50.25345	0.5
51.46767	0.6
53.48186	0.5
56.04822	0.5
56.05040	9.5
57.07074	5.7
58.06605	6.3
71.08615	2.7
74.06075	12.4
85.10172	2.9
86.06042	2.5
88.07623	13.9
92.17840	0.9
104.07170	0.7
109.89085	0.7
118.08627	6.3
122.08118	8.8
147.09886	0.6
152.91309	0.6
214.21643	64.3
244.22650	2.9
262.23746	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	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
52.28996	0.5
57.07066	3.5
62.82330	0.5
64.22118	0.6
65.89558	0.6
70.06599	11.0
71.08623	3.5
72.87862	0.7
87.24870	0.6
88.07623	23.7
102.09180	17.2
119.32161	0.8
132.10181	1.3
146.11722	0.9
156.17435	1.6
167.48381	0.8
200.20082	85.6
244.22676	5.4
262.23752	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	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	3.7
58.27922	0.7
65.21013	0.7
70.06594	9.6
71.08636	2.6
81.16833	0.8
88.07629	22.3
102.09172	13.2
138.38770	0.8
150.11295	1.0
164.49333	0.9
176.89952	0.8
198.39093	0.8
200.20079	74.9
244.22751	4.9
262.23740	100.0
265.02097	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	262.2376
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
52.12107	0.5
54.54451	0.5
54.76586	0.6
55.38678	0.5
56.04817	0.5
56.05040	9.5
57.07089	5.2
58.06606	6.2
60.04516	1.3
63.79003	0.5
64.85645	0.5
68.05033	1.0
71.08611	1.5
74.06079	11.9
85.10170	2.6
86.06068	1.1
88.07632	14.0
101.14239	0.7
112.96081	0.6
118.08668	6.0
122.08125	8.8
123.90807	0.6
137.25728	0.6
167.73729	0.7
187.16975	0.7
214.21654	62.3
240.42963	0.7
242.13962	0.6
244.22729	2.6
262.04401	1.2
262.16589	2.5
262.23758	100.0
278.45792	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53722	12.6
61.58786	14.6
90.75953	14.7
123.92928	17.0
137.31926	15.1
143.01936	29.9
148.18539	15.6
161.02946	17.9
259.41464	15.0
263.01587	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	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05280	10.1
61.41797	12.1
63.79049	11.1
109.63761	12.1
119.01953	13.1
143.01866	25.2
161.02966	59.9
215.00139	13.8
263.05240	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24222	1.2
58.17434	1.4
59.09077	1.7
59.47948	1.5
64.08194	1.5
67.66395	1.5
86.69791	1.6
101.00862	7.2
102.63461	1.8
119.01926	15.5
131.01924	12.4
140.17680	1.8
143.01901	93.6
155.01883	27.7
157.03433	1.9
161.02940	100.0
173.02937	48.2
184.04486	1.9
185.02959	7.1
191.04024	24.1
203.03999	24.4
215.03966	2.0
221.05067	7.8
263.06058	34.7
276.01328	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	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27982	0.8
82.99897	0.8
85.02871	1.0
89.17194	1.0
101.00891	11.1
113.00842	1.8
119.01917	12.2
131.01884	7.0
143.01894	95.8
145.03468	0.8
154.07457	0.7
155.01886	10.8
156.97508	0.8
157.03491	1.6
161.02942	100.0
167.01877	1.1
173.02930	19.4
184.04610	0.8
185.02937	4.4
191.03999	8.1
198.98607	3.5
203.03998	35.6
221.05060	6.0
225.47299	0.8
239.06084	0.9
245.05179	1.3
263.06067	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05500	0.7
55.38366	0.3
57.03437	6.9
58.99590	2.6
65.03954	0.5
71.04991	0.8
76.02233	23.2
76.03982	0.4
81.03418	0.5
83.04974	0.5
84.04482	0.3
84.08143	3.5
85.02888	0.8
85.06548	18.2
87.02679	0.7
88.02181	0.6
89.00636	0.9
99.02684	4.6
101.65365	0.3
109.02890	0.8
112.03958	0.9
116.01666	7.6
117.03713	100.0
125.04195	3.8
127.03845	0.5
130.04990	6.5
142.06862	5.0
143.01930	0.4
143.05235	0.8
144.01143	6.6
160.07895	2.8
161.02927	0.8
161.05933	0.4
162.02191	19.8
179.04845	10.2
212.60399	0.4
214.04504	0.4
228.07028	0.8
245.09523	31.6
246.08199	1.2
263.05576	0.5
263.09656	3.2
273.82465	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	263.1277
Annotation	(+)-Clavicoronic acid
Peak:m/z	Relative Intensity
51.10473	1.1
54.00020	1.1
55.01871	1.4
55.05523	1.8
67.05499	1.7
69.03405	9.2
79.05463	2.4
81.07038	5.5
83.04976	18.9
83.85630	1.5
85.02888	6.2
91.05453	5.5
93.07016	2.9
95.04955	2.0
95.08612	1.8
97.02880	2.1
105.07043	9.9
105.07635	1.4
107.04905	1.5
107.08586	13.9
109.02888	1.6
109.06519	3.3
109.10170	4.5
111.04408	2.1
113.02354	39.2
115.35777	1.3
117.06975	5.8
119.04908	1.4
119.08569	3.1
121.06490	1.9
123.04417	3.3
123.08086	2.3
123.11686	2.0
125.65204	1.4
128.06195	1.4
131.08556	2.1
133.06491	11.2
133.10117	5.7
135.08037	28.0
137.05943	2.1
143.08521	3.2
145.10127	1.9
147.08025	7.1
147.11598	2.6
149.09616	11.1
151.11150	24.4
152.09496	1.3
156.09341	9.7
157.10106	7.1
159.07994	2.5
159.11732	4.8
160.08868	1.4
161.05965	19.7
161.09592	7.0
163.07549	7.1
171.11729	13.9
173.09595	5.7
173.13222	1.8
175.07559	13.4
175.11153	22.7
177.12599	2.0
179.06979	9.1
181.09996	5.3
184.08775	6.9
185.09589	6.5
187.11174	11.1
188.08299	3.0
189.05414	10.4
189.09131	2.0
189.12726	13.8
193.08601	7.6
199.11150	33.0
202.09857	2.9
203.10649	22.6
207.06506	2.9
209.09590	6.6
212.08250	7.9
215.10791	1.6
217.12221	37.2
227.10638	38.2
233.11458	1.9
245.11703	90.4
263.12747	100.0
263.17221	6.2
282.48251	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	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
59.05001	5.5
69.03425	5.8
71.04995	1.5
76.67757	1.2
79.05489	2.3
81.07048	6.7
83.04974	2.1
85.02928	1.8
89.64015	1.4
91.05442	3.0
93.07027	6.2
95.04956	2.1
95.08577	1.7
97.02878	1.5
97.06528	9.0
102.83018	1.2
105.07018	7.2
106.88164	1.5
107.08566	11.2
109.02879	2.5
109.06513	5.2
109.10123	1.4
111.04436	7.5
113.02365	6.9
117.07001	1.8
119.08585	7.4
121.06538	2.1
123.04436	6.0
123.08051	2.2
126.84535	1.5
128.06213	1.5
129.06990	1.6
131.08585	3.0
133.06497	2.2
133.10114	2.8
135.08054	100.0
137.06012	5.7
139.03964	1.5
143.08568	7.4
145.06516	2.7
145.10101	6.6
147.08046	7.3
149.06015	3.1
156.09341	8.5
157.10114	6.4
159.08025	6.3
159.11661	11.4
161.05981	3.2
161.09607	5.4
165.09097	2.1
171.11658	8.0
172.08842	2.6
173.09618	9.3
174.06702	1.9
175.07518	3.4
175.11211	6.1
175.85637	1.7
181.10147	3.2
184.08775	2.4
187.07512	1.9
187.11186	36.2
188.08293	2.8
189.09091	3.0
189.12744	5.8
199.11160	22.3
202.09950	1.7
203.06883	1.8
203.10649	44.4
205.08707	1.7
207.11627	1.6
212.08363	3.2
215.10692	21.3
217.08652	1.6
217.12201	16.4
227.10619	17.0
233.11617	12.3
245.11731	43.4
263.08810	2.1
263.12726	14.0
265.60168	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	263.1278
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
51.68708	1.7
53.44438	1.7
58.18690	1.9
62.93241	2.2
67.05489	4.0
68.31849	1.7
69.03419	5.0
70.45241	1.9
79.20712	1.9
81.07047	8.6
83.04990	16.9
83.55333	1.9
85.02901	7.7
91.05480	2.4
92.17831	6.4
93.07040	4.0
95.04966	2.6
95.08604	3.3
97.19308	1.9
105.06999	3.1
107.04920	2.6
107.08586	15.6
109.06545	8.4
109.10166	3.5
111.04346	2.0
113.02374	45.0
118.32231	2.4
119.08575	3.2
121.06479	4.8
121.10121	2.2
123.04427	3.0
123.08041	3.9
129.07022	2.1
131.08562	2.4
133.06485	10.5
133.10158	4.2
135.08055	24.8
145.06441	2.4
147.08037	5.0
148.22607	2.3
149.09636	11.1
151.11177	23.9
156.09364	4.5
157.10107	4.9
159.08063	2.8
159.11662	3.6
161.05994	30.7
161.09581	3.9
163.07521	3.4
171.11707	14.6
173.06023	9.7
173.09645	4.3
175.07553	15.7
175.11131	20.3
177.12688	2.6
179.07033	9.0
181.10135	3.4
184.08763	3.7
185.09599	4.2
187.07516	2.7
187.11157	4.7
189.05482	10.3
189.12761	11.5
190.06256	4.9
193.08601	10.8
199.11165	33.0
202.09937	4.0
203.10690	26.8
205.08662	3.1
207.06523	4.8
209.09695	3.8
212.08281	11.2
217.08607	2.5
217.12224	38.9
227.10661	40.8
245.11723	86.6
263.09918	4.7
263.12735	100.0
263.17355	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	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
51.55515	2.6
53.03946	4.7
55.01871	3.2
55.05510	4.9
55.30577	2.6
65.03927	3.0
67.05492	12.7
69.03414	12.9
70.06271	4.1
70.06588	69.0
73.83947	2.6
75.12740	2.9
79.05502	7.0
81.07050	13.8
83.04973	16.2
91.05489	4.4
93.07057	21.9
95.04971	25.5
95.08604	36.3
97.02887	7.2
97.06497	12.3
105.07034	6.1
107.08581	21.7
109.02876	61.4
109.06505	13.9
111.04467	13.0
111.08020	4.5
119.08566	14.8
121.02856	12.6
121.06474	23.8
123.04413	5.9
123.08050	17.5
125.05991	4.2
129.07019	4.1
131.08542	12.2
133.06474	4.5
133.10121	7.1
135.08040	12.6
139.03886	11.9
139.07533	4.0
143.08530	16.3
145.06491	5.1
145.10074	11.1
146.06006	5.6
147.08052	13.1
149.09647	4.1
151.07513	13.4
156.09357	5.6
157.10133	17.4
159.08034	12.9
159.11809	3.9
161.05942	4.3
161.09589	12.7
161.13216	3.5
163.07545	5.3
167.07074	6.2
169.10133	4.6
171.11650	15.3
173.09602	13.1
175.07500	7.3
175.11110	6.2
177.09142	4.8
179.06924	3.4
181.08571	5.1
181.10098	4.3
187.07602	11.5
187.11115	5.2
189.12741	4.1
198.96927	7.4
199.11124	22.2
201.09073	3.2
203.10649	23.4
214.10983	6.4
215.10515	3.6
217.11934	23.8
219.10150	4.9
221.11618	6.5
227.10396	5.2
227.12027	5.9
245.12686	43.9
263.05307	5.0
263.12631	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	263.139
Annotation	H-Pro-Phe-OH
Peak:m/z	Relative Intensity
54.36124	0.3
67.55837	0.3
68.99803	1.7
70.06593	100.0
75.41795	0.3
92.18512	0.7
106.06596	0.4
109.02901	0.7
111.00822	4.3
120.08143	0.9
131.04984	0.9
133.02901	0.4
153.01831	0.5
164.82010	0.5
166.08667	0.5
171.04457	0.5
177.05539	0.7
179.03346	3.1
189.05479	1.8
199.03952	1.8
203.03520	0.4
217.04866	4.2
245.04446	7.8
263.05518	11.7
263.09879	0.6
263.13928	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	263.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73495	0.9
55.43039	1.0
56.94249	0.9
58.06608	1.6
59.04997	4.7
68.05020	8.5
70.06575	1.1
83.04964	1.4
84.64433	0.9
85.02963	1.1
86.06084	10.4
101.06021	1.5
106.91837	1.2
114.05521	15.6
115.39761	1.0
116.07098	4.4
118.06528	12.4
120.08095	4.6
130.06491	1.1
132.06598	32.5
132.08087	79.9
144.08083	19.3
146.06006	87.0
160.07619	1.1
170.05945	4.2
188.07062	100.0
217.13379	6.1
218.13280	1.2
218.48862	1.2
245.12927	2.3
254.69316	1.0
263.05536	2.5
263.13889	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	263.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66952	0.4
50.89040	0.5
53.04541	0.4
53.47183	0.5
57.33027	0.4
69.03424	0.7
83.55401	0.5
91.05477	0.9
98.97616	0.7
105.07011	1.0
116.98594	0.6
119.08523	0.7
129.06996	1.0
136.48090	0.6
143.08527	0.9
162.33246	0.6
179.08527	0.7
193.10179	5.1
203.08545	0.6
205.10149	5.9
206.10863	4.0
207.11644	3.5
208.08902	0.7
215.08565	1.1
219.08047	1.0
219.11693	2.1
219.97023	0.6
220.12454	9.9
221.09689	3.0
221.13197	4.5
222.10349	0.6
229.10132	0.8
230.10924	5.9
233.09608	7.4
233.13300	0.9
234.10406	3.7
235.11163	2.1
235.14818	10.6
245.13239	9.9
247.11183	1.2
248.09427	1.1
248.11946	24.6
263.14285	100.0
272.57761	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	263.1643
Annotation	3beta-Methoxy-desoxo-achalensolide
Peak:m/z	Relative Intensity
50.04445	1.0
58.50822	1.0
69.07064	6.1
79.05504	1.3
81.07060	6.0
82.19240	1.0
91.05480	2.0
93.07041	6.4
95.08609	17.5
105.07036	33.2
107.08584	5.9
119.08582	22.4
121.34073	1.1
133.10132	10.3
143.08553	4.7
147.07988	1.6
147.11693	23.9
157.10141	5.2
161.13220	1.7
175.07553	6.7
175.14818	100.0
179.10658	1.2
185.13345	1.8
193.10117	2.7
203.14326	15.6
205.10167	1.8
206.10837	2.6
207.11705	6.9
213.12801	2.4
219.11760	1.5
220.12576	1.8
221.13278	8.4
231.13809	9.0
233.13342	2.5
234.14067	1.5
235.14801	4.4
235.16989	4.9
245.13348	1.1
248.12015	2.2
248.15616	6.8
263.14145	9.3
263.16248	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59392	1.0
66.77596	1.0
67.11409	1.0
80.63189	1.0
91.05441	2.0
93.07004	4.4
105.07008	1.6
107.08572	1.5
119.08552	2.8
126.30840	1.3
143.08560	6.0
143.45200	1.2
157.10089	4.7
170.10869	2.5
171.11655	1.9
179.08517	2.2
189.34535	1.2
192.09337	2.2
193.10123	4.7
206.10858	2.7
207.11714	8.5
208.12556	1.7
216.26038	1.3
219.11642	1.6
220.12500	4.9
221.13185	13.0
233.13263	11.0
234.13919	8.8
235.14769	5.2
248.15587	16.9
263.14471	5.0
263.17941	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	263.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82542	1.0
57.07095	0.9
57.61489	0.9
63.25091	0.9
65.02306	1.1
80.74964	1.1
91.05472	1.2
93.07033	1.6
105.07030	1.4
107.08582	1.5
112.70195	0.9
119.08615	1.2
121.10172	1.0
122.05390	1.0
133.10106	1.3
143.08553	2.5
146.36534	1.0
157.10069	5.9
165.07002	1.1
168.09256	1.3
170.10918	1.3
171.11626	1.1
183.11678	1.7
192.09311	1.8
193.10127	6.8
205.10110	2.5
206.10931	7.9
207.11697	9.8
208.12514	1.3
219.11638	5.7
220.12466	8.3
221.13237	14.6
233.13257	12.4
234.14125	9.6
235.14833	7.3
248.12000	1.3
248.15562	17.7
263.14423	8.2
263.17920	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	263.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01425	1.0
61.14309	0.9
79.05504	1.3
79.54656	1.1
79.91109	0.9
83.90433	1.3
91.05410	1.1
93.07042	2.4
98.55154	1.2
118.02005	1.1
119.08568	4.2
123.47258	1.1
123.99509	1.1
133.10135	1.4
143.08542	5.3
157.10088	1.6
170.10913	2.0
171.11691	2.2
192.09134	1.3
193.10144	5.0
205.10101	2.3
206.10893	6.2
207.11658	13.6
208.12489	1.3
219.11545	4.4
220.12448	7.6
221.13269	14.5
233.13229	14.1
234.13959	10.7
235.14792	5.3
248.15578	24.7
257.70749	1.2
263.14413	5.7
263.17911	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	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08865	1.8
50.40680	2.1
55.05506	10.0
57.07071	11.7
57.95329	1.9
59.90960	1.7
67.05164	3.0
67.05509	53.4
69.07062	13.4
71.08614	4.9
79.05478	10.2
79.96715	2.6
81.07064	73.4
83.08606	14.1
85.24686	1.9
91.05476	9.8
93.07039	18.2
95.08604	67.4
97.06522	10.2
97.10162	4.5
99.08082	8.6
105.07011	4.5
107.08579	12.4
109.10159	45.0
111.08050	2.7
113.09602	2.1
119.08598	9.0
121.10125	18.6
123.11723	17.5
127.11187	3.0
133.10158	19.0
135.11708	11.3
137.13266	5.4
147.11682	9.2
149.13243	5.0
151.14821	8.6
157.09991	2.1
161.13225	11.2
163.14798	9.6
165.16389	9.6
175.14836	9.0
189.16374	2.7
192.72389	2.5
241.53755	2.1
245.22635	38.4
263.23703	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.82882	1.9
55.05508	10.0
57.07071	4.6
58.89491	2.3
61.28379	2.2
61.60366	2.0
62.69773	2.3
66.07600	2.2
67.05174	3.0
67.05508	67.0
69.07055	9.4
71.08628	4.9
75.94003	2.5
79.05465	11.8
81.07056	75.7
83.08607	13.1
88.74686	2.3
91.05471	5.3
92.18131	3.8
93.07045	18.6
95.08013	4.7
95.08596	83.6
97.10142	4.9
105.06999	10.0
107.08582	13.5
109.10151	46.0
119.08551	12.5
121.10098	18.6
123.11705	20.6
129.28041	2.8
133.10089	11.2
135.11650	5.8
137.13254	5.1
147.11671	9.8
149.13248	5.2
151.14806	10.0
161.13252	10.4
163.14822	3.8
164.35568	3.0
165.16344	11.6
175.14795	4.5
189.16481	4.0
245.22572	41.9
247.16737	2.9
263.23682	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.07013	1.3
51.54000	1.5
55.05496	11.3
57.07084	14.8
58.11704	1.6
67.05502	74.2
69.07065	14.7
71.08607	4.3
79.05492	19.6
81.03423	2.0
81.07058	100.0
83.08630	15.9
85.06524	4.4
85.10189	2.1
91.05462	15.7
93.07048	25.5
94.98405	1.8
95.08601	92.4
95.98688	1.7
97.06516	7.9
97.10123	9.6
98.97574	2.9
99.08064	4.3
105.07043	13.0
107.08573	19.5
109.10152	53.2
111.08041	8.0
115.96677	1.7
116.98628	2.8
119.08554	12.2
121.10143	23.8
123.04351	1.9
123.11713	23.5
125.09614	2.1
133.10098	19.0
135.11647	13.4
137.09598	2.5
137.13271	12.6
147.11656	13.6
149.13248	10.7
151.11218	2.3
151.14774	10.3
161.13223	11.2
163.14722	7.6
163.19876	1.7
163.37738	2.2
165.16365	11.9
175.14803	8.9
179.17914	2.2
189.16371	3.5
203.18117	1.9
221.13152	2.3
245.22638	43.4
248.11681	2.2
263.07852	3.0
263.14160	3.6
263.17902	5.5
263.20166	12.9
263.23639	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.03920	0.6
55.05518	38.2
57.07055	0.9
65.27709	0.5
77.78703	0.5
83.04981	100.0
84.37321	0.5
91.05482	7.0
100.07610	18.8
100.58260	0.6
106.06536	2.7
118.06577	0.8
119.04929	2.2
124.14697	0.6
136.07520	1.1
159.52335	0.6
218.11761	1.2
247.09535	0.8
255.14063	0.6
263.27213	0.6
264.12314	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	264.1228
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
53.03945	0.4
55.05518	36.6
55.29608	0.3
57.07081	0.8
59.35904	0.3
64.96559	0.3
75.18562	0.3
77.19984	0.3
83.04981	100.0
91.05491	5.2
97.08801	0.4
100.07613	20.4
106.06569	1.7
118.06582	0.7
119.04922	2.1
134.94505	0.4
136.07611	2.6
154.04893	0.4
188.10873	0.5
218.11855	1.7
247.09612	1.3
264.12369	3.2
264.14832	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	264.123
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
55.05518	35.3
57.07074	0.6
67.64442	0.3
69.40743	0.4
77.58290	0.4
83.04980	100.0
91.05474	5.9
93.23345	0.5
100.07613	18.8
106.06552	2.3
118.06534	0.8
119.04936	2.0
136.07565	1.9
182.08163	0.4
206.62976	0.4
218.11775	0.8
247.09743	1.6
264.12286	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	264.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05517	35.7
57.64176	0.5
83.04980	100.0
91.05466	4.8
91.91346	0.6
93.67092	0.6
93.80572	0.6
100.06984	1.0
100.07616	18.7
100.08262	0.6
106.06528	1.0
107.71816	0.7
118.06539	2.3
119.04939	2.1
136.07553	2.4
142.52338	0.6
153.54709	0.6
199.57861	0.6
218.11848	0.9
247.09801	1.0
264.12274	3.4
264.14719	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	264.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63797	0.4
55.05518	35.1
57.07057	0.6
59.79614	0.5
63.39943	0.4
64.35554	0.5
65.73975	0.4
79.34458	0.5
83.04982	100.0
91.05479	3.9
92.17857	0.8
92.67459	0.5
98.62257	0.5
100.07616	20.5
106.06570	1.2
118.06563	2.1
119.04952	2.5
136.07614	1.1
147.12715	0.5
182.08112	0.6
218.11879	0.9
221.13029	0.6
222.13695	0.7
247.09679	2.3
249.15810	0.7
264.12326	3.9
264.15631	0.8
264.18164	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	264.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05518	38.8
57.07049	0.6
69.17392	0.5
72.05059	0.5
80.76254	0.5
82.84360	0.5
83.04982	100.0
83.93237	0.5
91.05482	6.7
100.07611	16.6
106.06566	1.0
113.90162	0.5
118.06544	1.0
119.62637	0.5
120.10184	0.6
129.48314	0.6
136.07579	1.3
147.12219	0.5
157.18597	0.6
188.10643	0.7
218.11740	2.3
247.09578	1.4
264.12292	5.0
264.18280	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	264.1958
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
53.79854	0.2
55.05505	1.8
61.69945	0.2
69.01405	0.3
70.06575	0.5
73.43177	0.3
79.05528	0.3
83.04974	3.8
88.07625	19.1
91.05435	0.4
92.18548	0.4
93.07022	0.3
100.07600	0.5
107.08542	0.3
119.08564	3.2
121.10043	0.3
133.10106	0.4
135.08044	1.6
137.09605	3.9
139.01022	0.3
149.09595	0.5
149.13303	2.2
161.09618	1.2
177.12730	100.0
193.67278	0.3
234.98398	0.3
264.19571	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1959
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
55.05463	0.9
56.88619	0.2
70.06532	0.4
73.93279	0.3
83.04980	2.3
88.07634	18.9
88.08134	0.8
91.05436	0.4
92.06422	0.3
100.07577	0.3
103.23497	0.2
105.06989	0.3
106.07293	0.5
119.08562	2.8
133.10074	1.0
135.07996	1.3
137.08801	0.2
137.09625	3.9
144.08842	0.4
149.13274	1.8
150.43173	0.3
159.11676	0.4
159.67995	0.3
161.09564	1.0
176.15208	1.1
177.12741	100.0
193.09831	0.4
207.11447	0.4
208.12015	0.5
219.32896	0.3
221.13281	0.4
222.13664	1.0
234.13586	0.5
236.15027	0.3
249.12778	0.5
249.16127	1.2
264.14841	1.5
264.19687	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61941	0.4
59.52024	0.5
74.30976	0.5
82.99819	1.0
92.18458	0.7
98.97543	0.8
101.00882	20.5
109.63235	0.5
113.00877	0.8
115.02435	1.1
119.01904	15.8
119.15975	0.6
127.02394	3.2
133.03429	0.9
137.02937	0.8
139.02415	6.4
143.01888	18.8
145.03473	5.3
157.03455	32.0
157.04747	1.2
161.02959	10.3
163.04480	5.4
166.23848	0.5
169.03485	0.6
173.02924	1.2
175.04512	11.1
181.05428	1.0
186.78232	0.5
187.04506	1.3
205.05569	16.0
217.60243	0.6
223.06624	24.1
241.07651	3.0
247.06613	4.3
265.07663	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	265.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61941	0.4
59.52024	0.5
74.30976	0.5
82.99819	1.0
92.18458	0.7
98.97543	0.8
101.00882	20.5
109.63235	0.5
113.00877	0.8
115.02435	1.1
119.01904	15.8
119.15975	0.6
127.02394	3.2
133.03429	0.9
137.02937	0.8
139.02415	6.4
143.01888	18.8
145.03473	5.3
157.03455	32.0
157.04747	1.2
161.02959	10.3
163.04480	5.4
166.23848	0.5
169.03485	0.6
173.02924	1.2
175.04512	11.1
181.05428	1.0
186.78232	0.5
187.04506	1.3
205.05569	16.0
217.60243	0.6
223.06624	24.1
241.07651	3.0
247.06613	4.3
265.07663	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	265.107
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.22678	2.1
54.95286	2.5
55.01878	2.4
57.69922	2.4
71.01353	24.0
73.02899	14.8
81.34811	2.5
85.02892	3.5
91.05457	2.6
92.18523	3.2
103.05493	3.9
105.07038	3.2
115.05430	5.9
117.07001	5.0
119.33321	2.8
122.07159	6.0
129.07034	2.6
131.04938	15.9
131.08574	18.9
137.05969	12.8
137.78763	2.5
141.06987	18.3
143.04887	11.3
144.05681	3.0
145.06476	23.8
151.07542	5.7
157.06516	5.5
159.08052	25.6
160.05180	13.8
161.05986	5.9
162.06726	4.2
163.07518	15.2
165.09090	20.4
168.05748	2.9
169.06477	29.1
171.03105	2.6
171.04428	19.9
171.08101	4.1
174.06726	13.5
175.07524	100.0
177.09119	12.6
181.63768	2.7
183.07956	3.5
185.05852	3.0
186.06708	5.5
187.07549	27.1
189.09186	20.8
191.07043	16.6
191.10780	3.8
193.08562	12.1
197.06090	18.4
199.07494	18.4
201.09122	40.4
203.06976	43.2
205.08578	3.6
211.07584	5.1
214.06241	5.1
217.08623	17.7
219.10130	13.2
221.08012	3.0
229.08551	24.1
247.09689	28.1
265.10687	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1223
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
59.35415	1.0
60.63924	0.9
67.05496	1.4
81.07060	2.0
91.05482	3.8
92.18452	1.5
95.08599	2.4
105.07018	4.9
107.08595	1.6
117.07010	9.4
119.04942	2.1
119.08603	4.7
128.06223	1.3
129.06969	4.2
131.08562	1.7
132.49651	0.9
133.10167	7.3
141.06985	1.3
143.08578	2.5
145.06482	6.7
145.10103	7.7
153.07013	1.6
155.08559	1.2
157.10100	1.4
159.11681	2.3
165.06985	4.5
167.08553	5.2
171.11674	2.4
178.07819	1.3
179.08549	6.0
180.09317	5.1
181.10126	9.3
183.11716	4.1
193.10083	2.5
194.10938	8.6
195.08000	1.4
195.11673	10.9
204.09325	6.0
205.10117	5.1
206.10883	1.4
207.08098	2.2
207.11700	2.0
208.08833	6.4
208.12444	1.8
209.09570	2.0
209.13283	14.1
217.10115	1.1
219.11678	15.8
221.09625	5.2
221.13242	1.6
222.10312	13.3
222.14003	1.8
223.11177	11.5
223.14694	7.3
232.08911	2.3
235.11180	4.3
236.11926	4.4
237.12773	14.5
237.16397	2.3
247.11134	9.6
250.09894	5.9
250.13484	1.6
265.12231	100.0
265.15747	11.8
265.19476	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.07875	2.9
57.07056	4.1
58.18583	3.2
59.91895	3.0
67.05496	4.3
68.08981	3.2
69.03416	18.5
79.05471	5.2
81.07051	5.9
82.63648	3.4
83.04981	25.4
89.07778	3.8
90.80910	3.6
93.07021	16.3
95.04962	4.9
95.08598	7.6
105.07020	15.0
107.05039	3.8
107.08577	32.3
109.02904	4.4
109.06518	4.7
111.04424	18.9
119.08551	19.9
121.06525	22.0
121.10183	4.1
123.08085	5.8
124.43848	4.2
131.08582	15.4
133.10159	5.7
135.08057	48.0
135.11694	4.9
145.06464	6.7
145.10101	8.8
147.08063	5.5
149.09634	15.3
151.07535	5.3
153.09138	15.1
155.08572	4.7
157.10152	6.1
159.07930	4.0
159.11684	23.1
160.08850	4.5
161.09589	6.2
163.07512	52.6
163.11148	17.5
166.07764	4.0
169.10059	4.7
173.09639	7.8
173.13199	19.9
181.10146	6.0
183.11674	18.5
186.10371	4.8
187.11200	42.9
189.09200	4.9
191.07043	15.7
193.10081	5.1
194.10835	3.4
195.11708	17.9
201.12680	27.3
205.12215	16.9
209.08046	4.9
209.13245	23.4
211.11107	5.0
219.13707	16.4
221.13255	4.1
222.14061	5.5
223.14790	19.9
226.89110	4.2
229.12279	32.2
237.16428	4.6
247.13240	94.8
250.17213	5.5
265.15875	29.8
265.19507	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	265.1433
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.61651	2.2
54.69233	2.0
57.07068	2.8
67.05495	3.8
69.03418	15.9
79.05502	3.5
81.07068	4.3
83.04976	43.5
91.05473	4.9
93.07058	18.7
95.04974	4.5
95.08572	4.9
97.02885	4.4
105.07006	5.6
107.08586	25.3
109.02861	23.4
109.06506	16.7
109.10146	4.2
111.04443	26.4
113.05986	4.2
117.06973	3.5
119.08583	31.6
121.02895	3.7
121.06499	51.3
123.08041	5.1
131.08553	16.2
133.06442	2.4
133.10152	10.5
135.07074	4.6
135.08057	93.4
135.11650	2.4
137.05975	5.1
137.09573	5.1
145.06462	12.5
145.10127	13.6
147.08020	5.3
149.05960	11.0
149.09589	25.2
151.07536	3.1
151.11153	3.4
153.09119	10.4
155.08559	2.7
155.10667	2.5
157.10123	3.9
158.10852	4.3
159.08044	10.0
159.11676	39.5
161.09636	3.6
163.07529	61.8
163.11171	13.6
169.10059	3.0
170.10893	4.3
172.08836	13.0
173.06059	2.9
173.09583	31.5
173.13261	62.4
177.09099	2.3
181.10123	3.6
183.11661	9.7
185.88771	2.5
186.10356	17.7
187.11171	97.4
189.09076	2.5
191.06998	28.7
201.12735	81.8
205.12248	27.1
209.08067	4.6
209.13278	4.0
211.11209	10.5
214.09871	2.9
219.13736	17.6
223.14833	4.7
229.12222	72.7
247.13252	100.0
265.14423	12.7
265.19470	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.63510	3.7
53.30980	3.4
55.05539	4.2
65.03938	6.1
67.05505	20.5
69.03424	29.0
69.07048	3.8
78.70839	4.3
79.05499	5.1
81.07043	8.7
83.04989	4.0
84.04536	5.1
91.05463	22.1
93.07034	28.2
95.04969	38.7
95.08607	21.2
97.02885	6.7
97.06535	7.1
105.07035	55.4
107.08589	8.5
109.06499	31.9
111.04437	27.3
111.08071	10.2
113.06005	10.6
117.06982	7.2
119.08572	74.8
120.08098	100.0
121.02865	24.6
121.06466	37.8
121.10128	8.9
123.08035	25.0
128.06248	4.8
129.07034	6.0
131.04773	4.1
131.08565	30.0
133.06494	5.6
133.10147	18.6
135.08051	78.1
137.09602	16.9
139.03873	7.9
141.12769	4.0
143.08560	17.7
144.05690	4.5
145.10114	27.9
147.08064	54.1
147.11685	10.2
149.09622	7.9
151.07463	7.0
157.10124	27.2
158.07249	22.3
159.08067	41.2
159.11662	43.0
161.09579	36.9
165.09087	32.5
169.10120	6.1
172.08833	18.6
173.09576	32.9
173.13171	13.9
175.07559	73.4
175.11081	31.9
181.05051	7.3
183.11690	9.4
185.09634	5.1
187.11134	36.8
189.09105	8.2
189.12746	23.3
193.08598	17.5
196.08899	7.7
199.02678	4.4
199.11215	8.1
201.12793	31.0
203.10732	45.7
205.12219	5.2
209.37695	5.0
211.11206	24.9
217.12224	17.4
229.12289	29.5
231.85941	4.0
235.13342	6.9
247.13116	52.8
265.14243	88.2
279.08966	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	265.1544
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
51.68951	0.5
55.05519	0.8
58.81374	0.6
59.06820	0.6
63.61030	0.7
67.05486	1.2
69.03432	3.3
74.13459	0.6
79.05499	1.1
81.07033	0.9
84.04503	17.4
86.06062	1.3
91.05493	1.1
93.07040	4.4
95.04970	4.7
95.08603	1.5
105.07027	13.6
107.08586	0.9
109.06494	2.7
109.10208	0.8
111.04440	3.5
111.08060	1.3
112.03970	11.6
113.05987	1.0
114.03846	0.8
117.07059	0.9
119.08584	8.3
120.08094	100.0
121.02827	1.4
121.06512	3.7
121.10107	1.7
122.07200	0.7
123.08061	2.5
128.07088	3.0
130.04994	10.9
131.04907	6.1
131.08577	5.1
131.20578	0.6
133.10135	3.1
134.31743	0.7
135.08040	7.0
137.09581	1.5
143.08591	1.4
145.10107	4.1
147.08025	5.9
147.11670	1.4
157.10124	3.0
159.08037	4.7
159.11674	6.4
159.42111	0.7
161.09618	4.0
163.03853	0.8
165.09117	4.1
169.10175	0.7
172.08842	1.2
173.09561	1.1
173.13324	1.4
175.07520	7.2
175.11136	4.3
178.08669	0.8
181.04973	2.8
183.11755	1.6
185.09686	0.7
187.11227	3.9
187.12953	0.8
189.12799	1.1
192.10237	0.8
193.08591	0.8
199.11137	1.1
201.12817	3.5
203.10583	5.3
205.12329	0.8
211.11165	1.0
217.12242	3.3
229.12151	2.7
247.13182	5.8
248.38316	0.8
265.14859	8.4
265.19431	1.0
287.47098	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	265.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01391	1.1
56.88251	0.4
62.64096	0.4
66.35985	0.5
67.05525	0.5
69.03421	0.6
71.94807	0.5
84.04507	15.7
86.06049	2.0
91.05534	0.4
95.04945	0.9
95.08570	0.5
105.07034	7.6
106.23524	0.4
112.03963	8.4
112.24627	0.5
119.08604	1.9
120.08099	100.0
120.87362	0.5
128.07050	3.1
130.05003	13.7
131.04904	5.7
135.08073	0.4
145.10101	0.9
146.08156	1.1
159.11674	0.9
175.07542	1.8
175.11208	0.6
177.06569	7.3
192.10208	0.9
209.13307	0.9
219.07689	0.8
223.07245	0.9
223.14978	0.7
247.14694	0.5
265.11884	0.5
265.15485	11.2
265.19562	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	265.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.45729	0.5
61.99323	0.5
64.30711	0.5
67.05507	0.6
69.03416	0.8
69.07055	1.4
79.05484	0.6
81.07072	0.9
86.48101	0.6
91.04620	0.6
91.05490	1.3
93.07027	0.8
94.06458	0.6
95.08592	2.6
97.06498	0.8
98.85324	0.6
100.08282	0.6
105.07027	3.9
107.08564	3.6
110.48305	0.6
117.07043	1.0
119.08572	2.9
121.06499	0.7
121.10193	0.7
129.06985	1.0
131.08557	2.3
133.10103	1.5
139.41568	0.6
143.08551	3.1
145.06465	0.9
145.10110	3.1
152.77187	0.6
153.07089	0.7
155.08559	1.3
157.10124	3.1
159.08025	1.4
165.07013	2.5
167.08562	3.2
169.10098	3.0
171.08073	1.1
171.11659	1.1
173.09589	0.9
179.08528	2.6
180.09306	3.0
181.10132	7.3
182.11000	0.6
183.11649	2.2
192.09204	0.8
193.10072	5.4
194.10886	3.4
195.08069	3.7
195.11668	15.0
197.09618	0.8
197.13292	0.8
205.10124	1.4
206.10855	1.3
207.11670	8.2
208.08794	2.4
208.12457	4.5
209.09622	6.9
209.13211	9.4
210.10347	1.1
217.10123	4.0
219.11653	1.3
221.13258	3.9
222.10472	4.7
222.14052	6.7
223.11195	14.6
223.14748	8.1
232.12427	6.5
235.11136	7.8
235.14799	1.0
236.11960	4.9
236.15446	0.9
237.12721	4.1
237.16383	10.1
247.14784	10.4
249.33249	0.7
250.13483	15.6
265.15872	100.0
265.19315	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1585
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
50.57212	0.4
52.32876	0.5
52.97224	0.4
55.05506	1.1
67.05509	0.8
69.07049	0.8
79.05481	0.7
81.07052	0.9
83.04990	3.9
84.05303	1.2
91.05451	0.9
94.56673	0.7
95.04926	0.5
95.08606	1.2
105.07043	7.3
107.08588	1.0
112.36207	0.6
117.07009	0.7
118.68493	0.7
119.08579	2.9
123.08059	0.7
129.06976	1.2
131.08575	3.0
133.10127	2.7
135.08096	0.6
143.08537	3.8
145.06403	0.8
145.10115	2.5
153.06912	0.7
155.08537	2.8
157.10110	3.6
159.08002	1.2
166.07616	0.6
167.08549	3.0
169.10081	3.1
171.11597	0.5
173.09529	0.9
177.05547	0.6
179.08548	2.2
180.09309	2.4
181.10100	8.1
182.10970	0.6
183.11650	1.2
191.08498	0.7
192.09238	0.7
193.10114	6.0
194.10915	3.4
195.07985	0.7
195.11684	13.4
196.12415	0.6
197.09593	1.0
205.10150	1.1
206.11017	0.9
207.11690	7.0
208.08716	1.2
208.12440	4.6
209.09621	6.8
209.13217	9.4
210.10521	0.7
211.11130	0.9
217.10158	2.6
218.10841	0.6
218.42067	0.6
219.11685	1.2
221.09703	0.9
221.13237	6.3
222.10435	2.1
222.14043	4.5
223.11188	10.3
223.14757	7.6
224.11864	1.0
232.12404	6.4
235.11165	4.7
236.12086	3.7
237.12727	3.0
237.16354	15.6
238.86421	0.7
247.14806	9.7
250.13475	10.2
265.12488	3.2
265.15857	100.0
265.19360	6.9
276.08762	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	265.1586
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
50.80147	0.5
55.48531	0.6
69.07058	1.0
75.34890	0.6
79.05475	1.5
81.07052	1.1
91.05453	1.6
92.17809	0.7
93.07051	1.3
95.08598	1.4
102.97529	0.8
105.07010	4.6
107.08570	3.1
117.06986	0.9
119.08546	1.5
119.80869	0.6
121.10098	1.0
125.08104	0.7
125.27594	0.7
131.08568	1.5
133.10112	3.6
133.73007	0.6
135.87962	0.6
143.08531	3.1
145.06424	0.8
145.10095	3.8
155.08548	1.4
157.10129	4.4
159.08015	1.6
165.07005	1.2
167.08620	2.8
169.10188	2.1
171.08049	1.0
171.11679	1.3
173.09621	0.8
179.08522	2.7
180.09375	2.5
181.10110	7.5
183.11710	1.5
192.09258	1.3
193.10078	5.1
194.10861	2.7
195.08037	1.3
195.11658	13.1
195.13310	1.0
205.10028	1.0
206.10912	1.3
207.11630	7.9
208.12465	4.6
209.09616	8.1
209.13208	6.6
210.10324	1.4
217.10080	3.1
219.11736	0.9
221.09663	0.9
221.13290	4.2
222.10451	1.1
222.14026	5.6
223.11174	14.0
223.14690	7.7
232.12430	6.3
235.11086	6.4
235.14738	0.9
236.11993	4.8
237.12642	3.1
237.16360	12.0
247.14812	9.1
250.13507	15.1
265.12582	3.2
265.15854	100.0
265.19370	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	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81053	0.7
55.05511	3.7
60.14075	0.8
60.64285	0.8
64.78275	0.8
67.05496	4.5
74.45577	0.9
79.05495	1.9
81.07053	5.4
83.08648	1.3
84.10368	0.8
91.05477	3.6
93.07068	6.3
95.08607	14.7
105.07014	5.8
107.08586	6.3
109.10130	2.0
117.07024	3.6
119.08572	13.9
119.09933	0.8
120.64818	0.9
121.10137	4.4
129.07043	1.1
131.08560	4.8
133.10123	32.8
135.11646	0.9
142.07828	0.9
143.08543	6.0
145.06517	1.1
145.10129	19.3
147.11650	3.2
155.08585	3.4
157.10092	9.6
159.11662	5.9
167.08591	4.8
168.09312	1.0
168.54451	0.9
169.10100	8.1
171.11691	9.2
173.13217	1.5
179.08559	4.2
180.09401	1.2
181.10101	9.8
182.10995	0.8
183.11688	7.9
185.13271	3.9
193.10106	2.0
194.10905	5.3
195.11687	18.9
197.13283	8.5
207.11703	4.1
208.12474	4.2
209.13246	30.2
210.14035	1.6
221.13219	3.7
222.10406	1.3
222.14020	3.5
223.11220	0.9
223.14795	21.9
235.14897	3.4
236.15685	1.6
237.12807	3.1
237.16354	5.1
247.11066	0.8
247.14836	1.2
250.09825	1.7
250.13391	1.4
250.17180	4.9
265.12186	14.6
265.15915	7.0
265.19495	100.0
275.65390	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	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28374	1.0
55.05500	1.4
63.50343	1.0
67.04063	1.1
67.05485	4.9
69.07049	1.1
74.42647	1.0
79.05484	4.3
81.07040	7.7
83.08622	1.9
91.05476	1.6
93.07026	5.0
95.08599	11.8
105.07014	8.5
107.08586	6.4
117.06957	1.9
119.08584	12.4
121.10120	4.8
129.06984	1.9
131.08519	5.8
133.10130	28.4
135.11691	1.3
142.07744	1.6
143.08554	6.9
145.10104	20.9
155.08502	1.8
157.10121	10.7
159.11691	9.1
167.08551	4.6
169.10117	10.7
171.11685	9.2
173.13283	2.2
179.08505	2.4
181.10135	9.6
182.10876	1.8
183.11642	10.6
185.13263	2.4
193.10136	2.5
194.10922	6.5
195.11713	23.0
197.13232	10.6
207.11766	1.4
208.12465	5.8
209.13240	32.6
221.13255	2.0
222.14136	4.1
223.14812	19.3
235.14754	5.2
236.15573	1.5
237.16397	7.6
250.17094	6.5
265.16025	5.2
265.19492	100.0
266.78329	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	265.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85107	0.8
55.05510	1.5
55.67467	0.7
57.07071	0.8
58.88615	0.8
59.91679	0.7
64.32106	0.8
65.03938	0.9
67.05480	4.3
69.07073	1.3
72.55499	0.8
79.05480	3.6
81.07052	7.1
91.05433	1.4
93.07047	8.3
95.08596	11.8
105.07014	6.1
107.08581	5.9
108.72790	1.0
109.10149	4.1
117.07018	1.7
119.08579	9.1
121.10125	4.4
126.49408	0.9
128.06158	1.0
129.06960	1.2
130.07738	1.1
131.08540	5.6
133.10121	27.6
133.11041	1.5
142.07719	1.5
143.08530	5.9
145.10127	19.4
155.08516	1.9
157.10136	8.7
159.11662	5.2
167.08578	1.9
169.10088	7.5
171.11647	7.1
173.13245	1.6
179.08534	3.4
181.10127	8.2
183.09953	0.8
183.11674	5.8
185.13245	3.7
193.10152	1.6
194.10852	3.8
195.11693	16.2
197.13231	7.2
207.11714	3.3
208.12401	4.4
209.13271	24.3
210.14241	1.2
221.13312	2.0
222.14099	3.6
223.14793	20.1
235.14787	4.0
236.15657	1.3
236.87970	1.0
237.16335	4.8
250.17120	6.9
264.45074	0.9
265.19482	100.0
285.37527	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	265.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47472	0.8
56.72882	0.9
57.07026	1.0
67.05499	2.0
70.75217	0.8
72.17354	1.0
76.77175	0.9
79.05499	2.2
81.07053	5.7
91.05470	1.8
93.07025	6.3
95.03242	0.9
95.08613	9.6
105.07045	7.5
107.08569	8.3
109.10149	4.4
110.07923	0.9
117.07023	2.3
119.08558	9.2
121.10104	4.3
128.06198	1.3
129.06975	1.5
129.21095	0.9
130.07776	1.5
131.08557	6.4
133.10127	30.2
135.11658	1.2
142.07875	1.0
143.08557	6.0
144.09314	1.1
145.10136	17.3
147.11707	1.6
155.08517	1.8
157.10117	9.2
159.11699	6.3
166.07724	1.1
167.08507	2.1
169.10181	7.1
171.11673	10.1
173.13295	3.6
179.08571	1.8
181.10136	9.4
183.11661	6.2
185.13187	4.5
193.10132	1.7
194.10895	6.0
195.11690	17.3
197.13229	6.6
206.22226	1.1
207.11691	2.3
208.12462	5.1
209.13242	28.4
221.13272	1.3
222.13986	2.0
223.14816	18.2
235.14792	2.3
236.15544	3.8
237.16336	3.7
250.17146	6.7
265.16241	3.1
265.19492	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	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23885	0.9
59.10250	1.1
67.05503	4.6
69.07046	1.4
69.71142	1.0
70.80876	1.0
71.85193	1.2
75.90112	1.2
80.02233	1.2
81.07052	4.8
83.08607	1.8
91.05455	2.3
92.17890	1.5
93.07004	4.5
95.08595	8.5
105.07007	8.1
107.08540	5.0
109.10126	2.6
110.25420	1.4
117.06974	2.7
119.08568	11.9
121.10126	2.3
129.06955	2.1
131.08554	3.0
133.10130	34.5
142.07762	1.4
143.08556	7.5
145.10112	17.9
155.08499	1.4
157.10104	6.8
159.11688	8.0
167.08484	4.7
169.10089	6.7
171.11668	8.1
173.13252	1.6
179.08630	2.1
181.10065	10.5
183.11693	9.9
185.13293	2.1
186.45749	1.3
193.10161	1.9
194.10910	4.9
195.11668	15.2
196.12411	1.6
197.13252	7.4
201.12253	1.2
207.11685	2.4
208.12471	2.7
209.13225	26.7
210.13979	2.0
221.13298	2.7
222.14066	2.1
223.14780	22.0
235.14792	4.6
237.16289	2.6
250.17145	4.5
265.19492	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	265.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64127	1.0
55.05515	1.6
56.63774	1.1
67.05504	1.7
69.07067	2.0
79.05475	2.1
81.07038	6.9
91.05486	2.2
93.07014	6.5
95.08590	8.7
105.06997	5.1
106.62592	1.2
107.08582	7.8
109.36016	1.3
117.07020	2.4
119.08551	11.7
121.10088	4.9
124.10767	1.3
129.06992	1.3
131.08551	5.6
133.10124	30.9
142.07854	1.3
143.08551	4.4
145.10118	20.9
147.11655	2.0
155.08514	2.0
157.10130	10.5
159.11624	9.5
166.30981	1.2
167.08563	5.2
169.10126	7.9
171.11681	9.6
173.13206	2.2
179.08594	2.4
180.09286	2.0
181.10114	8.9
182.10942	2.0
183.11671	9.2
185.13182	4.7
194.10909	5.5
195.11667	19.5
197.13287	7.1
207.11597	1.4
208.12399	1.5
209.13251	25.3
210.13817	1.9
221.13170	2.1
222.13971	2.0
223.14787	20.2
235.14827	2.2
236.15617	1.9
237.16422	2.2
250.17044	7.5
265.19489	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	265.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65466	0.8
53.59891	0.9
53.99147	0.9
55.05494	1.2
55.38810	0.9
57.04787	1.1
64.66776	0.9
67.05500	2.0
69.07069	4.4
79.05470	4.8
81.07039	6.5
91.05468	2.3
93.07023	6.7
95.08614	11.4
100.04017	1.1
105.07018	6.3
107.08569	6.8
117.06989	2.5
119.08591	16.3
121.10114	5.1
131.08524	5.3
133.10132	34.0
142.07701	1.2
143.08533	7.8
145.10115	23.9
147.11702	1.9
155.08554	2.7
157.10107	11.4
159.11633	8.8
165.07007	1.6
167.08534	4.6
169.10083	8.7
171.11713	9.5
173.13268	2.5
179.08492	4.5
179.49326	1.3
180.09343	1.4
181.10130	10.8
183.11626	9.0
185.13223	4.8
193.10152	1.4
194.10927	4.0
195.11699	18.2
197.13289	11.2
207.11700	4.8
208.12520	5.0
209.13243	31.8
210.13887	1.5
221.13182	4.5
222.10379	2.1
222.14000	5.4
223.14807	20.9
231.29588	1.3
235.14801	2.4
236.15514	1.8
237.16350	6.2
250.13496	1.4
250.17128	4.9
265.12292	13.0
265.15912	13.0
265.19479	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	265.2161
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.34216	1.4
55.05514	25.3
56.05843	2.6
58.38928	1.6
60.03355	1.8
61.78224	1.5
66.71282	1.6
67.05505	85.3
69.07055	10.7
79.05486	8.9
81.07055	100.0
83.04981	41.3
83.08614	3.6
84.05298	21.2
91.05479	3.3
92.05797	2.3
93.07024	9.1
95.08600	95.6
95.90031	1.6
96.39577	2.0
97.10172	2.4
100.07607	3.7
105.07038	3.7
107.08589	10.6
109.10149	82.5
121.10141	11.6
123.11692	31.4
131.08492	1.8
133.10091	3.4
135.11694	9.1
137.13245	2.3
145.10170	2.5
149.13242	3.2
151.14751	2.1
163.14835	2.5
163.28650	1.7
173.13281	2.9
187.14774	2.9
193.10222	2.5
195.11734	7.4
195.13602	2.1
195.28862	1.9
207.11787	2.2
209.13400	2.2
219.11986	2.1
223.14778	2.8
229.19356	2.6
237.16287	3.0
259.94769	2.1
265.12292	8.7
265.15695	16.0
265.19363	9.3
265.21701	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	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05515	27.9
55.24153	3.3
57.07074	17.0
60.76390	4.8
66.84234	3.6
67.05506	51.9
69.07069	85.5
70.08436	3.4
71.08633	15.3
79.05479	21.6
81.07060	56.2
83.02824	3.7
83.08624	56.0
83.74991	3.4
85.07643	4.0
85.10181	6.2
87.05592	4.7
93.07034	25.7
95.08600	59.2
97.06519	8.3
97.10172	45.3
101.50911	4.1
107.08600	23.9
109.10155	37.2
111.08071	16.2
111.11718	8.3
121.10135	58.6
123.11721	7.3
135.11714	38.9
149.13258	18.8
178.46626	4.1
181.43546	4.3
227.72002	3.9
247.24252	37.3
265.19476	6.3
265.25223	100.0
274.67685	4.5
288.47159	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	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05518	29.9
57.07079	18.2
67.05505	36.8
69.06738	2.6
69.07072	58.1
71.08611	11.8
78.69149	1.5
79.05488	14.9
81.07053	45.9
83.08619	48.0
83.09107	2.0
85.10168	6.8
86.22071	1.6
93.07040	21.2
95.08596	49.0
97.06512	9.8
97.10163	32.5
107.08618	14.6
109.10157	25.8
111.08057	11.5
111.11703	10.8
119.08528	2.3
121.10139	40.4
123.11683	6.3
133.10109	9.3
135.11687	37.5
137.13226	3.2
145.10141	3.9
149.13266	10.5
151.14790	3.7
159.11739	2.2
163.14795	3.7
165.16348	2.4
171.11615	2.1
194.10919	2.2
195.11702	1.9
209.13255	8.4
223.14711	3.8
247.24168	31.1
265.19443	32.6
265.25232	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	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85776	3.5
84.96043	5.1
93.43044	4.5
98.97581	5.9
101.00873	5.8
102.00965	5.4
114.87030	4.4
120.01976	6.5
140.02472	4.6
144.02048	5.7
158.03647	7.7
176.04732	4.8
182.99707	5.2
206.05791	8.1
219.02063	7.3
224.06891	18.2
243.01976	6.8
261.03107	54.9
266.07916	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	266.0885
Annotation	5'-Dehydroadenosine
Peak:m/z	Relative Intensity
69.03426	4.0
71.34346	0.3
88.91126	0.3
100.80571	0.4
104.10725	0.4
113.02348	2.5
123.05545	3.3
136.06184	100.0
144.04813	3.0
198.98604	0.4
266.08810	10.3
266.16013	2.1
266.20035	0.3
285.60458	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	266.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	47.8
59.27401	1.1
62.37798	0.9
71.46602	0.9
74.06091	1.4
78.73234	1.1
80.30544	0.9
85.06543	32.1
85.56387	0.9
89.00845	1.0
90.19745	1.1
91.05482	100.0
91.81830	1.0
98.03473	1.0
102.09174	52.2
106.06534	10.0
118.06528	5.5
119.04934	22.8
123.66035	1.2
136.07564	10.3
147.04416	8.8
165.05431	4.9
182.08107	50.0
196.11998	1.6
196.39813	1.1
210.13661	2.2
220.13260	2.0
266.13687	6.6
266.16318	4.5
266.19788	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	266.1385
Annotation	N(alpha)-Benzyloxycarbonyl-L-leucine
Peak:m/z	Relative Intensity
53.23241	0.9
57.07081	49.1
72.29224	1.0
83.12639	1.3
85.06545	37.2
91.05479	100.0
102.09181	53.7
103.05474	1.5
106.06569	10.7
112.27701	1.2
118.06539	5.8
119.04939	27.2
120.42815	1.1
131.82085	1.1
136.07596	10.1
143.30063	1.1
147.04401	8.6
165.05441	5.4
168.78273	1.3
182.08118	47.2
220.13220	1.7
249.11264	1.4
249.41049	1.4
266.13965	8.5
266.16376	1.2
266.19891	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	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	64.0
70.05823	1.4
85.06540	42.8
87.27796	1.4
91.00423	1.5
91.05479	100.0
93.58374	1.4
99.63121	1.5
102.09190	36.8
106.06537	9.2
106.97218	1.4
118.06593	5.7
119.04929	23.0
131.08472	1.8
136.07576	7.9
147.04434	6.4
165.05434	3.1
182.08127	58.2
196.12004	2.7
210.13663	1.8
224.15123	2.1
233.13028	1.4
249.11295	1.8
266.13690	6.2
266.16626	2.8
266.19855	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	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	84.2
60.35373	1.6
61.13453	1.9
85.06536	39.3
88.75790	1.8
91.05481	100.0
102.09177	35.4
106.06565	13.7
118.06535	4.0
118.14851	1.8
119.04925	21.9
136.07561	9.0
147.04399	4.3
182.08121	66.3
182.10492	2.3
196.11996	2.7
210.13512	3.0
224.15286	7.7
249.11203	3.9
251.14247	3.9
264.85117	2.0
266.13605	4.2
266.16403	6.7
266.19843	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	266.1384
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
55.76139	1.5
57.07078	63.4
58.76295	1.8
75.51989	1.5
81.43279	2.0
83.59945	1.6
85.06545	39.1
91.05475	100.0
99.14494	1.7
102.09183	34.8
106.06536	9.3
110.99822	1.9
118.07293	1.8
119.04927	22.1
130.48909	1.8
130.92432	1.7
136.07538	9.9
147.04407	3.2
165.05426	4.1
182.08115	73.5
197.03830	2.0
220.13284	2.2
266.13788	3.5
266.16327	2.5
266.19815	2.0
286.66479	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	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07088	0.6
68.86143	0.6
69.07327	0.6
71.04992	13.6
73.28764	0.6
75.84873	0.7
84.08086	0.6
85.48746	0.6
91.05473	51.1
102.09175	100.0
103.05428	0.8
108.06676	0.7
108.07512	0.7
117.83459	0.7
119.04931	10.9
119.08626	0.7
120.08098	15.0
132.08061	2.9
134.10541	0.8
147.04395	3.9
150.09097	1.1
180.08936	0.8
182.10539	1.2
184.11908	0.8
194.10529	1.0
196.09680	24.5
196.11913	2.4
210.13646	2.9
224.15091	1.4
225.12906	0.7
238.13138	0.8
238.16617	1.3
251.13815	1.4
266.13425	3.6
266.16220	19.1
266.19617	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	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61481	0.5
51.09397	0.4
56.00119	0.4
89.03887	0.9
92.08517	0.5
95.99295	0.4
96.98280	0.5
98.06039	0.5
104.28967	0.5
109.02860	2.7
117.03383	4.8
120.14906	0.5
122.06065	1.2
123.06800	17.6
138.05484	12.7
145.02844	29.8
149.05939	0.7
150.05505	19.3
151.06277	25.4
152.05640	2.5
152.07050	2.7
168.06544	100.0
169.07275	3.9
177.05455	55.9
202.12209	2.1
220.13339	6.1
221.03343	0.6
230.11711	4.2
248.12737	7.0
266.13852	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	266.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10191	0.7
91.05470	16.2
107.05175	0.7
119.04066	1.5
119.04931	46.6
123.16579	0.9
133.06485	7.1
134.09650	28.5
136.06178	42.1
138.51585	0.7
141.90034	0.8
147.04399	100.0
170.37762	0.8
179.07014	70.6
189.05457	24.6
200.31628	0.8
221.08049	6.2
234.13428	10.3
266.13834	25.9
266.16171	16.1
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
60.08160	2.9
65.90327	0.5
69.03421	2.0
73.02908	1.1
85.02908	3.9
87.04469	4.8
87.99915	0.4
96.32339	0.6
97.02852	1.2
99.04436	2.2
104.10737	23.1
109.02862	0.9
113.20963	0.5
127.03915	1.1
145.05040	0.7
169.05263	0.5
177.98415	0.5
231.63152	0.5
248.11099	0.6
266.15964	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	0.5
61.02919	1.4
71.04987	1.7
79.05479	0.4
81.07065	3.1
87.08093	0.3
88.07560	0.3
91.04913	0.3
91.05479	6.9
95.08632	0.5
95.82014	0.2
102.81871	0.3
105.07021	0.5
109.02879	2.2
119.03571	0.8
119.04935	17.9
124.03939	0.4
133.06487	2.5
134.09662	10.0
136.06184	100.0
147.04405	36.5
150.07690	0.3
169.91263	0.2
179.07031	24.5
189.05457	7.7
221.08081	2.4
224.12811	0.3
234.13481	24.2
248.14783	1.4
266.13760	7.8
266.16156	46.2
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
53.03951	4.9
57.07065	0.6
60.16637	0.5
66.23174	0.6
67.05491	0.7
67.44750	0.5
68.05019	0.8
79.14561	0.5
80.04615	0.8
80.05017	13.3
81.07045	3.1
85.87766	0.6
92.17888	0.6
95.08585	2.3
100.66945	0.6
105.07028	2.7
107.08570	1.3
108.04459	2.8
109.05241	2.8
109.10130	1.3
115.21016	0.6
117.06968	0.9
119.08543	1.1
121.10114	1.2
123.11697	8.5
126.05489	10.2
131.08527	0.7
133.10168	0.6
135.11699	0.7
139.11140	1.2
145.10086	1.4
148.07547	4.3
152.06985	0.8
162.09126	1.4
173.13281	0.8
174.09129	1.4
187.14778	1.1
188.10654	1.2
197.13281	1.0
198.12683	0.7
212.14351	0.9
213.15152	2.5
218.15472	4.5
230.15382	3.6
248.16422	1.4
266.17484	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	266.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57866	0.2
56.05036	0.2
59.69880	0.2
60.25956	0.2
74.06087	0.4
92.17931	0.3
213.94870	0.3
220.80884	0.3
248.23660	0.4
266.24774	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	266.2479
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.46569	0.2
60.29414	0.2
67.05489	0.3
69.07061	0.3
74.06071	0.6
81.14460	0.2
85.73884	0.2
95.06060	0.6
248.23685	0.3
266.24777	100.0
281.65530	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	267.0863
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
52.60381	0.8
57.03426	1.1
61.02922	7.0
68.99795	1.4
69.03407	2.2
69.07060	1.6
70.14854	1.0
74.06074	17.5
75.43953	1.0
81.03404	1.2
84.08118	4.8
85.02888	9.8
87.08099	2.0
91.05461	1.1
95.04970	1.4
97.02861	10.2
99.04432	2.2
105.03385	1.5
107.04965	1.4
109.02872	4.3
119.04868	1.2
120.08083	10.0
121.06463	1.4
123.04423	7.2
125.05975	1.1
125.29096	1.3
127.03893	1.9
131.04916	1.2
137.06004	10.6
141.05464	7.3
144.95833	1.2
147.04475	1.9
151.03882	5.6
151.07527	20.3
153.05458	55.1
161.05978	5.3
162.03107	1.4
163.03867	4.6
165.05461	8.5
166.08627	7.2
171.04321	1.7
175.07474	1.3
177.05444	100.0
179.03369	7.2
179.06999	25.9
181.04897	1.5
189.05388	1.9
191.07034	1.7
192.04251	2.0
193.08578	1.5
200.27689	1.2
201.05005	1.2
203.06998	10.2
205.04933	15.8
207.02898	5.3
207.06508	22.9
209.04527	1.8
219.06549	6.8
221.05109	2.8
226.05600	1.3
230.77190	1.0
231.06477	11.1
237.07518	5.1
244.06721	1.9
249.07480	11.6
266.99237	1.4
267.05472	1.5
267.08594	20.1
267.13425	6.2
267.17484	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	267.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01884	0.4
55.05512	0.5
67.05507	0.7
69.03432	7.1
69.07079	0.8
71.04968	0.6
73.34071	0.4
77.03934	1.5
79.05492	5.3
81.03426	9.9
81.07057	1.8
82.99171	0.4
85.02910	10.5
91.05492	0.7
93.07044	0.9
95.04974	5.2
95.08620	2.2
97.02894	2.9
99.04477	1.4
105.03394	100.0
105.04539	2.4
105.07005	0.8
107.04962	0.4
107.08578	0.7
109.02876	5.7
109.10161	1.5
111.06918	0.4
119.08590	1.5
121.10126	0.9
123.04414	7.9
123.08093	0.5
127.03905	3.4
131.08540	1.1
133.10117	1.9
143.08546	0.9
145.10107	1.8
147.08064	0.6
147.11600	0.6
149.09595	0.4
155.08586	0.7
157.10138	0.9
159.11734	0.9
161.09657	0.4
167.08621	0.4
169.10136	2.0
171.11667	1.7
183.11737	2.7
185.13348	0.6
185.51532	0.4
193.10149	0.6
195.11787	0.5
197.09706	0.6
197.13278	2.2
207.11815	0.4
211.11075	0.6
211.14847	1.9
225.12755	0.8
225.16373	0.7
231.13757	0.6
249.07547	4.6
249.14838	0.9
267.10254	2.0
267.13434	0.7
267.17477	6.6
267.21069	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	267.1379
Annotation	Juncutol
Peak:m/z	Relative Intensity
55.05515	1.5
58.54512	1.2
70.32599	1.4
71.22270	1.5
84.61249	1.3
95.08601	1.4
98.98444	1.4
103.62805	1.1
104.07563	1.3
110.96400	1.4
130.61469	1.2
147.11699	1.3
157.39235	1.9
169.10098	2.1
171.11577	1.5
174.97139	1.3
179.08406	1.8
181.10172	1.7
183.08150	2.4
183.11716	2.8
185.09613	5.7
195.08098	2.1
195.11699	2.8
196.12448	4.7
197.09669	5.0
197.13239	5.4
198.11145	1.3
206.10893	5.0
209.09622	35.7
210.10445	8.8
211.11176	3.0
211.14812	18.1
221.13229	22.1
224.11945	100.0
225.09138	1.9
225.12782	10.4
225.14696	1.4
239.14294	83.1
252.11378	15.5
267.13785	73.1
267.17273	5.7
267.20764	6.0
289.02582	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	267.1743
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
50.42524	0.8
55.15327	0.8
57.44369	0.9
67.05505	1.2
69.07060	2.1
74.68528	0.9
79.19521	0.9
81.07038	4.6
82.06475	1.0
88.41732	0.9
91.05448	2.0
93.07035	2.5
95.08597	1.8
96.52951	0.9
105.07037	22.1
107.08568	6.2
107.92407	1.0
109.06508	1.6
110.68578	1.0
119.04908	4.9
119.08575	7.9
121.06489	2.5
121.10115	5.2
128.06194	1.4
129.07002	1.1
131.08560	10.3
133.10152	2.2
135.08014	1.5
143.08499	7.8
145.10106	5.5
147.08057	2.1
147.11641	1.9
149.09540	2.1
155.08556	5.6
157.10112	9.0
159.11653	1.9
161.09570	1.7
163.72435	1.1
167.08621	1.3
168.09340	1.4
169.10112	7.3
171.11635	3.5
173.09531	2.3
175.11221	3.8
179.08556	1.3
181.10173	1.8
182.10814	1.7
183.11653	12.5
185.09645	1.4
185.13202	1.8
192.09413	1.7
193.10098	4.4
195.11646	4.4
196.12498	1.2
197.09601	1.6
197.13226	12.4
199.11137	1.2
206.10905	1.5
207.11624	7.6
209.13235	6.0
211.11208	8.0
211.14806	3.9
212.12015	2.1
218.24989	1.0
221.13239	4.0
223.14722	2.2
225.12706	8.5
225.16212	1.4
234.13994	4.4
238.13594	1.2
239.17911	4.3
249.16411	10.2
264.47525	1.0
267.17419	100.0
268.05219	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	267.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
65.50404	1.2
67.05505	2.2
67.55858	1.1
69.09763	1.1
71.37180	1.2
83.08577	1.3
91.05473	1.7
93.07021	1.3
95.04935	1.2
95.08589	2.6
105.07002	2.5
107.08578	1.5
119.08563	3.0
131.08533	1.4
133.10112	4.7
140.08461	1.4
143.08458	1.3
145.10114	2.5
147.08015	1.3
147.11674	1.7
155.08563	5.0
157.10117	5.9
159.11687	1.4
169.10083	5.0
171.11641	5.5
173.09651	1.9
180.09308	1.3
181.09944	1.7
183.11665	10.5
185.09616	1.6
187.11095	1.5
192.67726	1.2
193.10133	2.1
195.11705	2.5
197.09586	4.4
197.13290	10.0
207.11710	4.6
209.13277	4.7
210.10394	1.8
211.11139	8.6
221.13339	1.3
223.11156	1.7
223.14713	1.6
224.11914	5.3
224.15530	1.9
225.12788	12.8
225.16292	2.1
234.13925	2.0
237.12805	4.6
238.13646	1.6
239.17941	4.7
249.16391	6.3
252.15005	5.2
264.28830	1.2
267.14008	5.6
267.17407	100.0
267.20367	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	267.1741
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
52.16372	0.8
53.83643	0.8
60.55245	0.9
60.85757	0.9
64.07890	0.9
67.05489	1.0
69.03418	1.6
69.07062	4.0
74.41459	1.1
81.03437	1.4
81.07041	2.4
91.05477	2.6
93.07007	1.6
95.08601	4.8
97.33809	1.1
105.07014	10.9
107.08569	2.2
119.04922	2.3
119.08555	7.3
121.06480	1.4
121.10105	2.2
129.06989	2.0
131.08530	6.7
133.10121	2.6
135.08153	2.0
141.06966	1.7
142.07686	1.5
143.08539	6.8
145.10139	4.4
147.08002	3.9
155.08533	6.2
157.10095	4.5
159.11639	2.4
161.09691	1.2
167.08591	1.6
168.09256	1.4
169.10081	8.0
171.11691	7.1
175.11212	1.4
181.10127	4.5
182.10861	2.0
183.08022	1.4
183.11710	10.4
185.09543	1.4
193.10159	2.1
194.10916	1.2
195.11760	7.7
196.09048	1.0
196.12491	2.0
197.09602	1.6
197.13220	11.7
199.11232	1.7
207.11713	5.9
208.12560	1.4
209.13208	6.1
211.11130	8.8
211.14769	6.0
221.13275	1.8
223.14757	2.3
224.11945	1.5
225.12701	6.2
225.16365	4.9
234.14055	3.8
237.12706	1.2
239.17981	6.1
249.16411	7.1
252.15123	1.5
267.14001	4.8
267.17419	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	267.1741
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
51.52369	0.9
55.05505	1.7
56.62637	0.8
56.73660	1.0
67.05501	2.0
69.07073	6.9
79.05495	3.6
81.07054	6.5
83.08630	1.2
90.69093	1.0
91.05470	2.1
93.07037	6.0
95.04971	1.1
95.08590	8.3
105.03394	2.1
105.07038	8.0
107.08587	6.1
109.10159	4.6
117.06979	1.2
119.08578	12.2
121.10157	3.6
123.08062	2.2
129.06985	1.2
131.08548	6.0
133.10136	4.9
135.08118	1.3
141.06989	1.2
142.07765	1.4
143.08531	6.1
145.10104	12.0
147.08044	1.9
147.11723	1.3
149.66817	1.0
154.07709	1.2
155.08554	8.0
157.10117	8.8
159.11676	9.3
161.09613	3.5
161.13245	1.1
167.08528	1.0
168.09290	1.7
169.10107	31.0
171.08087	1.3
171.11667	6.1
173.13263	3.9
179.08537	1.9
181.10153	4.1
182.10933	1.6
183.11690	23.6
185.13222	5.8
193.10120	4.1
194.10905	1.3
195.11703	4.9
196.08775	1.5
196.12486	1.1
197.09598	6.1
197.13228	16.0
199.14726	1.1
207.11649	5.1
209.09607	1.4
209.13283	5.9
211.11201	11.4
211.14799	10.2
212.12064	1.3
219.11658	1.3
221.13362	1.4
223.11259	1.4
223.14815	1.8
224.11931	4.0
224.15613	1.5
225.12773	16.7
225.16316	10.8
234.13972	4.5
237.12782	1.5
239.14258	1.9
239.17964	12.1
249.16335	6.2
252.15282	1.9
263.59641	0.9
267.17444	100.0
267.21033	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	267.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.07071	0.7
63.48917	0.6
65.01966	0.7
67.05501	1.5
69.03417	1.4
69.07051	4.8
72.81628	0.7
79.05480	1.3
81.07058	5.0
83.04970	0.9
83.08614	0.9
91.05484	4.1
93.07024	3.3
95.08607	7.9
97.06508	1.0
105.03385	3.2
105.07028	16.3
107.08583	3.9
109.06483	1.4
109.10139	1.8
111.08125	0.7
114.45375	0.7
117.07005	3.2
119.04929	4.9
119.08562	9.0
119.21545	0.6
121.06486	1.5
121.10125	6.6
123.08091	1.1
129.07030	1.6
131.08543	10.1
133.10126	4.9
135.08031	1.1
141.07010	1.3
143.08551	9.3
145.10133	7.8
147.08064	2.9
147.11670	3.7
149.09607	1.3
150.09982	0.8
155.08559	8.9
157.10095	8.8
159.11693	7.2
161.09639	0.7
167.08510	1.6
168.09279	1.4
169.06395	1.0
169.10121	16.1
170.10858	0.8
171.08109	0.9
171.11731	5.9
173.09604	1.0
173.13223	3.1
175.11234	3.1
179.08533	1.7
181.10123	4.3
182.10852	1.5
183.08011	1.0
183.11668	14.8
185.13263	2.8
192.09325	2.9
193.10144	4.9
194.10927	0.9
195.11649	4.9
196.12476	1.1
197.09599	3.4
197.13243	11.5
199.11134	1.4
206.10805	1.0
207.11665	6.4
208.12579	0.9
209.09625	0.9
209.13185	5.5
211.11156	7.8
211.14751	7.9
212.12051	0.9
219.11707	1.8
220.12506	1.5
221.13277	3.4
223.11139	1.1
223.14766	1.8
224.11934	3.1
224.15488	1.0
225.12738	10.5
225.16252	5.6
234.13989	4.1
238.13365	1.0
239.14299	4.5
239.17917	6.8
249.16304	11.3
252.15092	3.6
255.22679	0.7
267.14139	3.6
267.17435	100.0
267.20996	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	267.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
69.07046	1.3
70.38358	1.0
79.05487	1.4
81.07053	2.6
83.08594	1.0
91.05463	1.5
93.07034	2.1
95.08598	5.8
105.07030	5.6
107.08598	4.6
109.06497	1.1
109.10203	1.3
119.08566	4.4
121.10133	2.0
131.08571	7.1
133.10149	4.2
143.08545	5.1
145.10138	5.2
155.08589	5.0
157.10152	6.7
159.11668	4.5
161.09601	1.2
169.10088	9.7
171.11714	5.6
173.09599	1.3
173.13289	1.4
174.87173	1.3
179.08684	1.3
181.10101	2.5
183.11746	8.5
185.09602	2.1
185.13268	1.5
191.74733	1.1
193.10130	2.3
195.11674	4.6
196.12480	1.6
197.09624	2.2
197.13231	7.2
199.11082	1.8
207.11549	3.8
208.88744	1.1
209.13228	2.6
210.10567	1.4
210.14029	1.3
211.11139	7.8
211.14796	6.2
212.11943	1.1
223.11137	1.2
223.14784	2.7
224.11853	1.4
224.15736	1.3
225.12808	7.9
225.16374	5.7
234.14008	2.3
237.12859	2.0
238.13470	1.1
239.14308	2.5
239.17918	6.1
249.16473	6.1
252.15036	5.5
261.29099	1.2
267.13992	5.6
267.17438	100.0
267.20969	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44809	0.9
54.48662	1.2
55.05517	2.1
64.15577	1.2
67.05506	2.1
69.07053	4.5
79.05478	1.4
81.07050	2.6
83.08602	1.3
91.05451	1.9
93.07024	2.4
95.08590	5.1
105.03387	2.3
105.06438	1.3
105.07031	18.7
107.08599	4.7
109.06523	1.1
109.10148	1.6
117.06999	1.4
119.04922	6.9
119.08569	7.7
119.66718	1.1
121.06468	2.6
121.10136	2.3
123.08005	2.1
123.11593	1.5
131.08545	10.0
133.10091	2.7
139.51848	1.1
142.07794	1.7
143.08498	8.2
145.10120	5.7
147.08044	2.7
147.11684	1.9
155.08533	2.7
157.10103	7.2
159.11665	2.4
159.61182	1.1
161.09576	2.5
167.08586	1.2
169.10085	7.6
171.07973	1.8
171.11635	2.4
175.11232	1.7
179.08511	1.9
181.10085	2.7
183.11687	13.0
185.09654	4.6
192.09248	1.8
193.10168	2.5
195.11681	5.0
196.08971	1.6
197.13210	11.8
206.10977	1.8
207.11725	9.8
209.13216	7.8
211.11136	8.9
211.14870	6.0
219.11720	1.8
221.13089	2.2
225.12645	6.9
225.16374	2.2
234.14024	6.3
237.12756	1.4
239.17999	5.3
249.16331	11.4
252.14990	2.4
267.17407	100.0
267.20456	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	267.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.3
69.07066	2.4
71.93181	1.1
73.96228	1.1
81.07057	2.4
84.22643	1.1
91.05464	1.4
91.68294	1.2
93.06997	1.8
94.58884	1.1
95.08584	2.9
105.07046	2.5
107.08603	4.8
117.07043	1.6
119.08555	4.7
121.10145	1.9
131.08582	2.1
133.10106	2.1
143.08517	4.7
143.09573	1.3
145.10133	2.9
146.10847	1.2
148.48149	1.3
153.54880	1.3
155.08554	6.5
157.10149	5.6
159.11699	4.6
161.09622	1.8
167.08585	1.5
169.10139	7.3
171.11659	5.5
173.09644	1.2
183.11766	8.2
193.10294	1.7
194.10965	2.0
195.11745	2.0
196.08830	1.4
197.13290	11.2
199.11154	1.2
207.11691	7.3
209.13277	4.6
210.10461	2.4
210.13966	2.2
211.11212	8.1
211.14851	10.1
223.11284	2.3
223.14812	1.8
224.11954	2.8
224.15570	2.2
225.12732	8.8
225.16394	4.7
234.14037	2.1
237.12872	1.4
238.13489	2.3
239.14288	2.7
239.17955	7.6
249.16423	6.0
252.15068	1.7
267.17441	100.0
267.21005	21.7
285.22665	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	267.1742
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.05505	6.1
63.68360	4.5
65.61176	4.8
67.05492	5.5
68.75254	5.5
69.07061	7.5
72.89706	5.2
76.17528	5.7
81.07056	10.4
93.07022	8.3
105.07026	66.0
107.08584	24.8
107.82083	4.7
119.08551	10.9
121.10139	11.0
128.55435	4.7
129.07031	6.1
131.08566	19.0
143.08575	24.1
145.10118	20.2
155.08545	6.7
157.10118	22.1
168.09364	9.2
169.10106	25.9
171.11652	7.6
175.11357	5.2
181.10187	8.3
183.11681	68.2
193.10201	6.4
197.09833	6.1
197.13269	22.4
207.11652	9.3
209.13414	6.2
211.11156	10.7
211.14844	26.2
224.11986	8.3
225.16251	6.0
239.17844	8.8
249.16353	24.6
267.13779	26.1
267.17429	100.0
267.21054	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	267.1742
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
50.63975	1.0
50.86427	1.1
67.05536	1.3
92.96469	1.5
93.07037	1.6
95.08568	2.3
104.28629	1.5
105.07007	2.9
109.06535	1.4
119.08556	1.8
132.50333	1.5
133.10132	2.9
143.08487	1.5
145.10062	2.8
155.08537	3.1
157.10118	1.9
169.10081	5.7
171.11667	5.4
181.10120	1.8
183.11684	8.2
193.10120	1.8
195.11610	2.1
197.09557	2.9
197.13200	9.2
207.11676	2.3
209.09607	1.9
209.13243	3.2
211.11116	9.8
211.14771	2.8
223.11111	2.1
224.12096	1.7
225.12703	8.9
225.16406	2.1
234.14044	1.9
237.12823	2.6
239.14200	1.4
239.17924	2.8
249.16299	2.7
252.15076	5.9
267.14365	3.6
267.17401	100.0
267.20404	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	267.1741
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.05501	1.8
57.07072	1.3
63.10640	1.3
69.03419	2.7
69.07051	2.7
74.06317	1.2
79.05488	2.9
80.17538	1.4
81.03419	6.5
81.07037	2.5
85.02888	1.4
91.05437	2.6
93.07017	2.3
95.04945	1.9
95.08599	6.9
97.06549	1.6
105.03390	34.0
105.07027	17.8
107.08585	7.4
109.02895	2.2
109.10110	2.3
118.76125	1.2
119.04923	2.8
119.08543	11.4
121.06513	3.2
121.10141	6.4
126.33363	1.3
129.07033	2.6
131.08594	10.6
133.10101	5.4
135.08058	2.3
143.08522	6.5
145.10098	6.9
147.08054	1.7
149.09566	1.9
150.06253	1.9
155.08557	7.7
157.10149	9.4
159.11647	3.2
161.09558	2.1
169.10062	6.9
171.08028	1.5
171.11659	7.1
175.11142	1.8
179.08501	2.6
181.10092	2.3
183.11694	13.3
185.09637	1.6
185.13191	1.7
192.09424	1.6
193.10132	6.0
195.11653	2.5
197.13237	10.9
207.11656	8.8
209.13211	3.2
211.11203	7.9
211.14758	9.1
220.12483	1.5
223.11061	2.8
223.14848	2.1
225.12778	7.4
225.16351	2.7
234.13988	2.4
239.14314	1.7
239.17923	5.3
249.16385	9.9
267.11877	7.6
267.17416	100.0
267.20917	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	267.174
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
50.89846	1.3
61.57585	1.8
67.05479	1.9
69.07054	2.6
79.05473	2.0
81.07034	3.4
91.05470	2.7
93.07008	2.4
105.07012	7.7
107.08568	9.5
109.10171	1.8
119.08572	8.3
131.08546	5.9
133.10103	8.7
135.08089	1.8
141.06857	1.7
143.08556	6.3
145.10049	2.2
147.08012	2.6
155.08505	3.5
156.09387	2.2
157.10100	6.8
159.07935	2.6
159.11673	3.7
165.12199	1.7
169.10115	10.5
171.08069	1.9
171.11697	9.5
173.09633	2.3
175.11147	1.7
179.08498	1.9
181.10130	7.0
183.08163	1.7
183.10168	1.7
183.11578	13.0
185.09615	6.9
193.10112	6.4
195.11699	7.7
196.12476	3.5
197.09610	2.4
197.13272	8.7
206.10905	1.9
207.11697	7.6
209.13345	2.7
210.10278	1.9
210.13921	2.2
211.11162	10.2
211.14777	3.5
219.11566	2.4
223.14880	3.0
224.11955	2.1
224.15500	2.3
225.12683	8.5
225.16400	2.4
234.14046	3.4
239.14294	2.3
239.17905	7.6
249.16351	8.5
252.15045	3.8
267.17410	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	267.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40469	1.0
55.05518	1.8
57.07076	4.8
59.66672	0.9
69.03429	1.5
69.07057	2.1
79.05486	2.5
81.07063	5.0
83.08625	1.2
91.05489	9.1
92.05821	2.3
92.27053	1.1
93.07040	2.1
95.08598	6.5
102.09163	1.6
105.03399	2.7
105.07030	6.3
107.08605	5.3
109.10168	5.0
112.22714	1.1
119.08566	5.1
121.06573	1.3
121.09255	1.0
121.10164	4.5
126.34360	1.2
129.07011	1.2
131.08571	2.5
133.10133	2.6
143.08542	5.1
145.10103	6.5
147.11665	1.6
155.08521	4.5
157.10139	7.8
159.11720	4.6
161.09496	1.5
169.10107	11.2
171.11610	8.8
173.09636	5.1
181.10063	1.4
182.10965	1.7
183.08350	2.2
183.11717	11.0
185.13264	2.1
193.10130	2.8
195.11716	5.3
196.12350	1.3
197.09647	1.6
197.13222	10.4
199.11253	1.4
199.14688	1.7
207.11713	7.7
209.09576	2.1
209.13242	6.6
210.01248	1.3
210.10425	2.1
210.14203	1.6
211.11140	9.2
211.14822	8.2
214.20619	1.6
220.12540	1.4
221.13284	4.4
223.11214	2.0
223.14865	2.6
224.11998	3.7
225.12718	13.4
225.16385	6.2
234.14128	2.3
238.13528	4.6
239.14146	1.9
239.17915	6.4
249.16389	7.2
252.14993	5.5
267.13843	12.1
267.17450	100.0
267.21045	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1742
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
52.84807	0.6
55.01871	2.1
55.05512	0.7
62.23757	0.5
66.76340	0.5
67.05482	1.2
69.03426	1.1
69.07059	1.4
75.22873	0.5
79.05509	1.0
81.07044	3.1
91.05479	0.9
93.07012	2.9
95.08570	2.7
97.06552	4.3
105.07047	4.6
107.04934	1.1
107.08604	0.9
109.06463	0.7
119.08576	5.1
121.06496	5.0
121.10060	0.8
123.08022	0.7
129.06999	1.1
131.04927	0.6
131.08537	2.4
133.10110	3.4
143.08546	3.8
144.09375	0.9
145.06462	1.2
145.10144	5.8
147.08034	7.5
155.08543	3.0
156.09381	0.7
157.10083	3.9
159.08006	1.1
159.11682	5.6
168.09331	0.7
169.10083	3.9
171.08043	1.4
171.11653	5.0
173.09637	1.2
181.10077	2.4
182.10887	0.7
183.11676	6.7
184.08846	3.5
185.13274	0.6
189.27066	0.6
193.10120	3.0
194.10976	1.0
195.11708	1.1
197.09601	2.5
197.13258	5.0
199.11192	24.8
199.14851	1.2
207.11646	5.0
209.09544	0.8
209.13260	3.4
211.11168	5.4
211.14828	1.3
219.11743	1.3
220.12411	0.9
221.13194	0.8
223.14850	1.1
224.11873	2.3
225.12740	5.1
225.16368	2.7
234.13989	2.9
237.12756	1.1
239.14302	2.6
239.17961	4.7
249.16298	6.7
252.15059	3.0
259.85532	0.6
267.17416	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	267.1741
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.16365	0.8
66.49825	0.9
67.05511	1.0
69.07046	2.6
73.30361	1.0
73.52767	1.0
79.05489	1.2
81.07055	2.0
91.05476	1.9
95.08598	1.6
97.06512	2.0
105.07030	2.6
107.08597	2.5
109.10123	1.2
119.08549	4.2
123.08015	1.6
129.07030	1.2
131.08519	2.7
133.10114	2.1
143.08559	4.7
145.10095	2.1
147.08026	2.4
155.08516	2.6
157.10124	5.6
159.08034	1.6
159.11693	1.9
161.09578	1.8
167.08504	2.1
169.10101	19.5
171.11646	5.7
173.09612	1.2
179.08543	2.2
181.10074	4.4
182.10817	1.3
183.08009	1.9
183.11639	8.7
192.09296	1.8
193.10118	4.4
195.11679	9.8
196.12408	1.3
197.09616	4.5
197.13379	7.4
199.11151	4.4
207.11659	8.5
209.13277	4.4
211.11179	8.7
211.14751	2.6
220.12483	1.9
221.13268	2.3
223.14827	2.3
224.11966	2.4
224.15649	1.5
225.12759	12.2
225.16370	4.4
234.13989	7.0
237.12814	4.2
239.14272	4.2
239.17889	9.2
249.16429	10.1
252.11436	1.1
252.15067	5.9
267.17416	100.0
267.20120	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	267.1744
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
54.91320	0.6
55.01880	1.0
69.03416	1.8
69.07079	1.4
79.05531	1.1
81.07063	2.8
91.05460	1.6
92.18520	1.4
93.07023	1.1
95.08601	1.7
97.06530	7.3
105.07017	3.6
107.05000	1.3
107.08586	1.4
119.08582	5.1
121.06484	3.6
129.07031	3.2
131.08531	3.3
133.10112	4.3
143.08566	3.4
144.09352	0.8
145.06444	1.4
145.10109	4.4
147.08046	8.6
147.11755	1.2
155.08553	3.0
157.10135	5.4
159.08063	1.3
159.11707	7.2
169.06465	0.8
169.10146	4.9
171.11635	3.9
173.13132	1.0
179.08556	1.1
181.10068	1.4
182.10901	1.0
183.11720	6.7
184.08931	1.7
192.09373	1.3
193.10080	3.3
194.10962	1.3
195.11679	1.7
196.12460	1.4
197.09579	1.4
197.13266	6.3
199.11185	25.5
199.14812	1.5
206.11023	1.0
207.11684	4.8
209.13290	4.5
210.10370	1.0
210.14052	0.9
211.11148	6.1
211.14845	1.1
219.11630	1.1
221.13315	1.3
223.14674	2.6
224.12042	1.2
224.15419	1.0
225.12735	8.0
225.16277	1.0
234.14020	3.7
237.12828	1.0
239.14294	3.8
239.17966	6.1
249.16377	7.8
252.15115	5.1
267.17441	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	267.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32142	1.2
57.07072	7.8
60.07760	1.2
67.05497	3.2
67.42795	1.2
69.07058	5.7
72.71700	1.4
79.05487	1.7
81.07053	5.9
83.08607	2.4
85.06514	1.5
91.05463	9.0
92.05811	2.5
95.04967	2.1
95.08604	7.3
95.87097	1.3
97.06527	1.4
105.07022	8.1
107.08603	3.4
109.10155	5.7
114.46308	1.5
117.06990	1.4
119.08578	9.2
121.10110	1.8
123.08052	2.1
131.08571	7.1
133.10123	6.6
143.08553	5.7
145.10149	11.1
147.08055	1.7
147.11690	1.6
155.08549	7.8
157.10114	10.1
159.11694	7.7
161.09526	1.8
167.08540	1.7
169.10104	20.3
170.10905	2.0
171.11720	11.4
173.09697	1.9
173.13269	5.9
181.10150	5.9
183.08345	1.9
183.11716	18.3
185.13191	2.4
192.09235	2.2
193.10092	5.6
195.11693	7.8
196.12378	2.4
197.09627	7.0
197.13332	17.6
206.10963	2.2
207.11694	6.7
208.12483	2.6
209.09605	2.2
209.13213	6.4
210.10246	2.0
211.11165	9.2
211.14813	7.9
219.11725	1.5
221.13260	3.5
223.14806	6.4
224.11929	2.6
224.15440	2.8
225.12775	13.3
225.16368	9.6
234.14023	3.1
239.14397	1.9
239.17957	9.1
249.16420	10.6
252.14990	3.1
257.55341	1.2
267.13828	11.2
267.17444	100.0
267.21042	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12901	0.7
53.36865	0.7
55.05514	1.2
57.07072	1.0
61.00313	0.7
67.05477	1.3
69.07047	3.6
69.94649	0.7
74.79009	0.6
81.07061	1.3
83.08618	1.1
92.18511	1.8
93.07013	1.8
95.08585	3.6
96.45403	0.8
105.06997	3.3
107.08568	1.2
109.10162	0.9
111.07974	0.8
111.68801	0.8
117.06969	1.0
118.71334	0.8
119.08566	3.6
121.10108	1.0
123.08082	1.2
129.06967	1.7
131.08574	3.8
133.10143	1.6
134.10625	0.8
139.32410	1.1
143.08534	1.9
145.06487	1.0
145.10063	3.9
154.07709	1.2
155.08554	5.0
157.10101	5.4
159.08096	0.9
167.08542	1.8
169.10120	21.3
171.11720	1.7
179.08479	1.0
180.09163	1.0
181.10133	4.4
182.07288	1.1
183.08081	1.3
183.11684	9.1
185.09590	1.0
185.13283	1.0
192.09351	3.1
193.10075	3.6
194.10776	0.9
195.11642	5.1
196.08847	1.1
196.12448	4.3
197.09619	5.7
197.13284	9.3
207.11710	6.9
209.09590	1.2
209.13190	5.9
210.10406	1.4
210.13997	1.9
211.11238	6.9
211.14827	3.4
214.07571	0.8
219.11708	1.3
220.12468	1.3
223.14790	4.2
224.11951	4.1
224.15587	3.7
225.12726	15.7
225.16380	4.2
234.14012	4.8
237.12770	1.7
237.16306	1.3
238.13568	2.0
239.14304	1.2
239.17978	10.7
249.16360	8.6
252.15080	5.1
267.14032	3.4
267.17422	100.0
269.62375	0.8
275.50330	0.8
275.65549	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	267.1743
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.05515	4.9
57.07069	1.2
59.69364	1.2
64.22682	1.2
67.05496	5.2
69.03411	1.9
69.07061	5.1
76.86954	1.2
79.05499	2.2
79.79866	1.5
81.03447	2.1
81.07050	5.9
91.05470	4.9
93.07018	5.7
95.08594	6.1
97.06516	1.2
105.07041	15.6
107.08592	13.7
109.10153	2.1
111.33252	1.3
119.08556	10.4
121.10127	5.2
129.06996	1.5
131.08557	6.9
133.10088	8.3
135.08014	4.7
141.06985	1.9
142.07780	1.8
143.08549	8.5
145.10164	6.3
147.08031	5.5
147.11659	1.6
149.09633	1.7
155.08525	7.5
157.10132	6.5
159.08040	2.0
159.11699	3.0
161.09625	2.6
166.22716	1.5
167.08517	1.5
168.09352	1.9
169.10139	10.5
171.11644	5.6
173.09706	2.1
175.11237	2.6
181.10106	5.2
183.11682	22.4
185.09573	2.6
187.11169	2.5
192.09227	1.7
193.10220	2.6
194.10750	2.0
195.11681	4.8
196.12553	2.7
197.09662	2.5
197.13245	9.1
207.11682	6.1
209.13316	7.0
211.11215	7.6
211.14796	5.5
212.11949	1.3
219.11693	1.8
220.12511	1.7
223.14870	2.1
224.12131	1.4
224.15685	3.1
225.12759	11.2
234.14024	7.9
237.12796	1.5
238.13635	1.5
239.14490	2.4
239.17908	8.3
249.16394	8.9
252.15179	2.0
267.17435	100.0
267.20917	8.2
267.28616	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	267.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23413	1.6
55.05516	7.6
57.07069	2.7
58.28145	1.6
59.82671	1.7
65.96018	1.5
67.05505	3.1
67.24808	1.7
69.03410	1.7
69.07059	3.8
70.01768	1.7
71.75156	1.6
74.13686	1.9
79.05505	3.4
81.07055	9.7
83.04970	4.0
83.08613	3.5
91.05474	10.9
93.07031	8.6
93.91400	2.3
95.04966	2.8
95.08594	13.5
98.98427	2.6
105.07033	60.7
107.08593	29.6
109.06466	4.1
114.81567	1.6
117.07041	2.7
119.04910	14.1
119.08558	16.6
121.06532	4.1
121.10141	24.0
123.08083	2.1
128.06212	2.4
129.06969	4.5
131.08583	27.6
133.10115	11.0
135.08061	2.9
142.07753	3.4
143.08542	22.8
145.10120	15.8
147.07986	2.8
147.11693	10.2
149.09612	3.5
155.08557	17.6
157.10152	23.5
159.08052	3.2
159.11661	3.7
161.09615	2.2
167.08505	7.5
168.09406	13.8
169.10135	18.1
171.11665	8.9
173.09467	1.7
175.11160	9.1
181.10088	11.6
182.10995	1.8
183.11681	80.1
185.09662	2.2
185.13266	4.5
187.11186	2.6
192.09413	4.6
193.10152	8.5
194.10884	1.9
195.11705	8.3
196.12502	3.7
197.09555	3.0
197.13248	24.5
206.10869	3.7
207.11708	18.5
209.13219	11.8
211.11209	12.9
211.14758	14.9
219.11688	2.3
220.12514	4.1
221.13258	3.9
223.14729	3.5
224.11975	4.2
225.12805	10.1
225.16400	3.2
234.13931	4.3
239.14296	3.7
239.17839	13.7
249.16359	25.1
267.13831	17.0
267.17438	100.0
267.21017	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33184	1.0
55.05515	2.1
57.07073	1.9
62.56059	0.8
63.46692	1.0
63.99108	0.9
67.05496	4.0
69.07054	4.2
74.75824	1.0
81.07064	7.0
83.08614	1.9
87.01810	0.9
91.05464	4.4
92.17828	1.5
93.07030	4.0
95.08610	15.3
95.88235	1.1
105.07030	10.8
107.08583	9.2
109.10169	9.6
117.07015	1.4
119.08583	19.7
121.10117	7.9
123.11787	3.1
129.06975	1.9
131.08578	8.5
133.10144	12.1
135.11644	1.8
143.08537	9.2
145.10115	9.0
147.11674	5.6
155.08568	6.9
156.09323	1.5
157.10101	9.1
159.11722	15.4
160.93564	0.9
161.13210	4.5
169.10120	10.5
171.11655	11.9
173.13222	14.7
175.14761	1.5
177.57695	1.0
182.10887	1.3
183.11688	14.5
183.21304	0.9
185.13237	6.0
187.14870	2.1
196.12483	1.3
197.13248	17.2
198.14005	1.1
199.14806	1.2
209.13266	1.2
211.14822	18.3
223.88759	0.9
224.15479	1.0
225.16399	6.8
239.17914	4.1
267.21072	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	268.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.4
78.03445	0.8
80.05028	1.0
81.03420	0.3
85.02904	0.9
85.39668	0.2
90.18012	0.2
96.04477	0.8
97.02901	0.7
99.04475	0.4
105.03413	0.2
106.02918	6.3
109.02892	0.4
113.06629	0.2
113.11311	0.2
124.03948	100.0
127.03880	0.4
169.23595	0.2
196.06099	0.4
216.54030	0.2
225.46542	0.2
230.63834	0.2
250.07114	0.3
268.08139	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41755	0.3
53.03952	0.8
57.10990	0.4
66.72588	0.4
70.07610	0.5
75.34798	0.4
77.03912	0.7
77.82114	0.4
82.30072	0.4
91.05479	3.4
95.04975	2.8
103.10867	0.6
104.05000	1.8
105.03395	100.0
111.11668	0.4
118.06537	10.3
119.04970	0.9
121.14055	0.4
122.06025	0.8
142.17899	0.5
172.36961	0.5
181.54739	0.5
230.48271	0.5
240.10173	9.8
268.09628	5.8
268.14163	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	268.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02787	0.4
53.03948	0.8
89.25037	0.5
91.05470	2.9
95.04987	3.7
101.24549	0.5
104.04992	1.2
105.03393	100.0
118.06540	11.9
118.07312	0.7
119.04945	1.2
122.06002	0.7
136.06300	0.5
149.56387	0.5
195.03830	0.5
198.24481	0.5
240.10165	10.4
267.51532	0.5
268.09659	5.6
268.14059	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	268.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66908	0.3
53.03938	0.3
53.80237	0.3
55.28860	0.3
61.62135	0.3
62.05216	0.3
74.38760	0.3
77.03919	0.7
79.90623	0.3
83.12113	0.3
89.17170	0.3
91.05494	2.1
95.04969	3.5
97.04164	0.3
100.32466	0.3
100.39235	0.3
104.04996	0.6
105.03393	100.0
118.06541	9.8
119.04941	2.3
122.05997	0.4
185.37274	0.4
217.67543	0.3
240.10182	12.7
268.09692	4.6
268.14151	0.8
268.17947	0.5
268.21204	0.4
277.13214	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
69.03414	0.3
105.10831	0.3
106.65224	0.3
136.06181	100.0
233.44406	0.3
268.10355	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	269.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03944	1.2
54.21239	0.2
56.49549	0.2
57.07497	0.2
61.71515	0.2
65.40690	0.2
77.03925	1.3
81.07056	0.2
93.07053	0.3
95.04964	4.9
105.03391	100.0
106.03725	3.4
113.55905	0.2
119.04952	0.5
119.08624	0.2
121.06514	0.2
133.10182	0.2
147.04445	0.3
147.11659	0.2
159.11702	0.3
171.08051	0.3
171.11731	0.3
173.09602	0.2
185.13339	0.3
190.89676	0.2
195.11746	0.4
199.11145	0.4
209.09631	0.2
223.11180	0.9
225.09129	0.2
225.12956	0.3
236.11896	0.2
241.10345	0.4
251.06979	0.2
251.14415	0.3
269.11969	2.1
269.15378	2.8
269.18982	1.2
269.22736	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	269.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.07073	0.7
57.63594	0.7
60.37007	0.5
65.03923	0.8
65.76638	0.5
67.05494	1.0
69.07061	1.4
70.85566	0.6
78.82877	0.5
79.05515	1.0
81.07060	4.1
89.95171	0.6
91.05479	100.0
93.07034	3.1
95.08604	9.1
97.10161	1.4
105.07021	3.7
107.08573	3.0
109.10140	5.9
117.06986	0.8
119.08567	5.0
121.06458	0.8
121.10133	2.8
123.11707	4.2
131.08543	2.9
133.10127	2.9
135.08118	1.1
135.11710	1.3
137.05965	1.4
139.11180	0.9
143.08556	0.8
145.10121	4.6
147.11682	1.3
147.88281	0.6
149.05992	4.7
155.08458	0.6
159.08095	1.2
159.11667	2.6
163.07532	3.2
173.09644	1.0
173.13173	0.6
177.02933	1.5
177.09145	2.6
178.03723	43.6
178.23993	0.7
180.56950	0.6
187.14835	6.3
191.10687	1.1
197.13261	1.0
205.15898	2.4
215.14293	3.7
233.15366	4.9
251.16348	23.0
254.13132	0.7
269.04919	0.6
269.09232	17.0
269.19330	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	269.1535
Annotation	4,4'-(2-Ethyl-1-butenylidene)diphenol
Peak:m/z	Relative Intensity
57.28625	0.8
58.54786	0.8
65.86119	0.8
69.07062	1.5
77.54292	1.0
89.06126	1.0
93.09380	0.9
97.06500	3.8
97.69690	1.0
128.06207	4.2
129.06985	7.1
143.08566	45.2
171.08047	100.0
179.08406	1.2
185.09718	1.9
194.10855	1.1
199.11293	1.3
209.13188	4.0
211.11159	1.2
223.14769	1.5
227.14197	1.6
239.10715	1.2
241.15900	3.7
251.14325	1.6
269.15369	79.9
269.18155	4.8
289.99298	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	269.1899
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
51.67099	1.4
53.03959	1.5
55.05524	2.0
58.88485	1.4
60.54317	1.4
64.75119	1.6
67.05498	2.8
69.07068	6.8
70.07365	1.5
74.78342	1.4
77.03989	1.6
79.05486	8.6
81.07053	16.2
83.08624	2.2
91.05470	7.1
93.07031	25.4
95.04972	2.6
95.08630	13.4
97.57148	1.5
105.07034	40.6
107.08582	14.9
109.10170	11.9
111.08089	2.8
117.07068	2.0
119.08572	18.3
121.06477	2.5
121.10131	8.4
123.08064	1.9
128.34744	1.7
129.06984	7.1
131.08537	8.9
131.97862	1.7
133.10139	12.3
135.11722	3.6
141.07019	2.2
142.07713	3.1
143.08571	17.6
145.10164	12.3
147.08047	3.1
147.11685	13.8
149.13210	2.1
155.08524	3.5
156.09346	3.7
157.10123	44.8
158.15842	1.9
159.08087	2.6
159.11652	15.9
161.09622	2.6
161.13242	17.0
169.10121	6.7
170.10901	2.5
171.11632	17.4
173.09625	2.6
173.13263	6.6
175.11182	7.0
181.10078	2.3
182.10963	2.0
183.11748	3.8
185.13223	42.8
187.11269	3.2
189.12720	17.8
195.11742	3.4
197.13231	6.9
199.11319	2.6
199.14841	9.1
201.12753	2.0
208.12474	1.8
209.13293	6.6
211.14803	6.7
213.12718	12.7
213.16380	2.7
223.14793	2.3
227.14313	4.0
227.17914	6.2
241.15874	3.6
241.19576	12.5
251.17850	12.8
269.15503	12.3
269.19006	100.0
269.22266	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	269.211
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01862	2.4
55.05515	19.2
57.03429	11.6
57.07077	2.7
60.84562	2.1
66.84431	1.9
67.05510	60.8
69.07069	47.2
69.22177	2.0
71.04984	9.0
79.05501	34.0
81.07062	100.0
83.04966	10.2
83.08621	31.2
85.06528	4.5
89.63288	2.2
90.19529	2.2
91.05477	10.5
93.07047	62.9
95.04964	4.2
95.08025	3.8
95.08607	91.3
97.06532	17.9
97.10175	16.3
99.08099	3.9
105.07025	13.3
107.08595	37.8
109.10158	47.0
111.08107	9.3
111.11727	4.5
119.08550	15.4
121.10139	54.2
123.11690	17.5
125.09589	2.2
131.08580	13.0
133.10114	19.5
135.11688	12.9
137.09607	4.8
139.11220	18.2
145.10127	13.3
147.11690	10.1
149.09621	3.6
149.13275	18.9
157.10101	9.0
159.11682	19.0
161.13292	3.3
163.27632	2.1
171.11708	5.0
173.13268	8.7
185.09659	2.5
185.13202	8.4
187.14815	3.0
199.11067	2.6
199.14853	8.7
203.12741	3.1
213.12793	3.0
213.16342	4.6
215.17947	10.4
233.19002	19.9
241.19525	2.9
251.20038	94.2
269.11859	3.6
269.15237	7.1
269.18668	12.2
269.22540	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05492	0.2
63.12467	0.2
66.64613	0.2
67.05494	0.2
68.99789	0.4
69.07063	0.3
79.05469	0.3
81.07039	1.1
91.05471	0.4
93.07040	0.4
95.04968	0.2
95.08589	1.0
96.16870	0.2
105.07011	0.9
107.04902	0.2
107.08604	0.8
109.06500	0.2
109.10137	0.5
119.04911	0.8
119.08549	1.0
121.10091	0.9
131.08600	0.3
133.06377	0.2
133.10124	0.4
135.08064	0.3
141.06920	0.3
143.08557	0.9
145.02829	0.3
145.10112	1.2
147.11665	0.4
147.65387	0.2
153.01817	2.2
155.08583	0.9
157.10109	1.0
159.11661	1.2
161.09572	0.3
161.13303	0.4
165.06944	0.3
169.10097	0.4
171.11627	1.0
173.09610	2.8
173.13268	0.8
175.11133	0.3
175.14787	0.2
183.08101	0.3
183.11690	1.0
185.13206	0.9
187.07593	1.5
187.11145	0.4
187.14790	0.3
197.05986	0.3
197.13205	1.3
199.11198	0.4
201.05370	0.8
210.06670	0.2
211.14812	1.0
213.12677	0.3
213.16414	0.8
215.14380	0.3
225.05440	0.4
225.08885	0.3
225.16341	0.7
229.04915	0.9
229.08568	0.2
229.15935	0.3
243.06505	0.8
243.20952	0.3
253.04886	0.3
253.08723	0.3
253.15800	0.3
253.19589	2.0
271.05984	100.0
271.16916	6.1
271.20517	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	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05513	0.3
57.07079	0.2
68.99773	0.3
69.07064	0.4
71.25844	0.2
78.17381	0.2
81.07047	0.4
81.55164	0.2
89.47151	0.2
91.05498	0.3
92.17897	0.2
93.07029	0.3
95.08590	1.0
99.32043	0.3
102.57647	0.2
105.07015	0.4
107.08573	0.5
109.10084	0.3
119.04922	0.9
119.08559	0.5
121.02883	0.3
123.08082	0.2
131.08514	0.3
133.10106	1.0
143.08556	0.4
145.10141	0.3
153.01825	2.3
155.08559	0.3
157.10150	1.0
159.11668	0.4
161.13220	0.4
169.10152	0.5
171.11723	0.5
173.09691	0.3
173.13202	0.3
183.11667	0.9
184.05103	0.2
185.13124	0.3
187.14900	0.3
197.13298	0.4
199.11125	0.5
199.14819	0.3
201.05371	0.3
201.12798	0.3
203.07137	0.3
211.14764	0.9
213.09076	0.3
215.14420	0.3
225.09198	0.3
225.12796	0.5
229.04970	0.5
229.08597	0.4
243.06679	0.4
253.12206	0.5
253.15816	0.3
253.19504	1.4
271.06000	100.0
271.16940	3.1
271.20547	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	271.0601
Annotation	Baicalein
Peak:m/z	Relative Intensity
51.85283	0.2
53.86710	0.2
54.26691	0.3
55.05502	0.3
57.03437	0.3
59.61918	0.3
63.80599	0.2
67.05490	1.4
68.99792	0.4
69.03417	1.1
69.07063	1.6
69.37183	0.3
71.04981	0.4
79.05476	1.6
81.03385	0.4
81.07059	4.0
85.02885	0.3
85.06533	1.5
91.05452	1.6
92.88891	0.3
93.07027	1.5
95.08592	3.0
99.04443	0.5
99.08062	0.4
105.07041	2.2
107.04897	0.6
107.08603	3.1
109.06517	1.5
109.10130	1.7
111.08057	0.5
116.07088	0.5
117.07061	0.4
119.04924	1.5
119.08578	2.4
121.06516	0.5
121.10123	1.6
123.08020	1.2
125.09632	0.4
127.03896	0.4
127.07589	0.4
129.06987	0.3
131.08536	0.5
133.10120	2.4
135.08040	0.4
135.11703	0.7
137.09615	0.4
141.06995	0.5
143.08521	0.5
145.10120	1.4
147.08043	0.3
147.11641	1.4
149.02301	0.5
149.13194	0.5
153.01836	3.0
153.06990	1.3
155.08536	1.2
157.06442	0.3
157.10213	1.1
159.08104	0.4
159.11702	2.0
161.13208	1.3
163.11142	0.5
165.06953	3.9
168.05676	0.3
169.10097	1.2
171.11722	1.2
173.13199	1.3
175.11185	0.6
181.06401	0.4
182.07370	0.4
183.08055	3.0
183.11661	1.0
185.13329	0.4
187.11185	0.4
187.14754	0.5
193.06404	0.5
197.05870	0.4
197.13237	2.1
199.14793	0.4
201.05569	0.5
201.12724	0.6
211.07588	3.3
211.14839	0.4
212.08334	0.5
213.16393	0.7
215.07140	0.4
215.14366	0.4
221.05896	0.5
225.05524	0.4
225.09018	0.6
225.12680	0.4
225.16406	0.3
227.17830	0.4
229.05002	0.6
230.76341	0.4
239.07074	0.4
242.09430	0.4
243.06528	0.6
253.12117	0.4
253.19667	2.5
271.05994	100.0
271.09424	5.2
271.16965	1.7
271.20551	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	271.1326
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
52.93078	1.4
55.05485	1.9
66.49741	1.4
67.05482	1.5
68.06250	1.5
77.44289	1.5
79.05466	2.6
79.99469	1.6
81.07069	2.5
84.31831	1.4
88.80883	1.5
90.56711	1.3
91.05485	3.4
93.07027	6.3
95.04937	2.5
101.51759	1.6
105.07000	12.1
107.08606	2.1
109.06480	1.7
110.42572	1.6
117.07036	2.2
119.04952	3.2
119.08538	2.8
121.06487	6.4
123.08003	2.4
129.06998	2.7
131.08556	3.0
133.06491	3.6
133.22009	1.7
135.08038	2.2
136.46753	1.7
137.05974	2.0
141.07004	2.8
142.07797	2.5
143.08549	7.4
145.06459	2.0
145.10107	3.6
147.04422	1.9
147.08061	7.2
149.05951	2.2
153.06970	1.9
155.08548	23.3
156.09331	3.8
157.06444	1.8
157.10104	3.1
159.08006	11.2
160.08817	7.3
161.09523	2.1
165.06950	10.3
166.07816	2.0
167.08528	7.7
168.09282	2.7
169.06459	2.3
169.10092	18.7
171.08022	8.3
171.11717	2.4
173.05995	2.9
173.09680	3.7
179.08495	8.2
181.06454	2.8
181.10075	10.5
182.10895	10.2
183.08054	16.3
183.11655	19.7
185.09557	9.7
187.11116	2.8
192.09315	10.5
193.06580	1.6
193.10107	9.4
195.08047	15.7
195.11700	8.7
196.08757	10.4
197.09622	21.9
197.13234	26.3
198.10429	2.2
199.11206	12.0
201.12726	2.5
207.11720	18.0
209.09604	19.2
209.13148	1.8
210.07074	1.8
210.10403	21.0
211.07539	25.6
211.11166	22.7
213.09201	2.2
220.08789	9.4
223.11214	3.1
224.74956	2.2
225.12714	48.3
227.10667	9.3
229.05055	3.0
235.11153	11.4
236.35312	1.6
238.09853	10.1
241.12198	2.2
243.13713	2.6
253.12202	61.8
271.06079	21.8
271.09268	4.3
271.09943	6.4
271.13257	100.0
271.16452	4.1
271.20468	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	271.1327
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
50.03184	1.2
66.68259	1.4
67.05505	1.7
68.99773	1.9
69.03424	2.5
69.07060	3.6
71.04977	8.9
79.05469	2.4
81.07041	8.6
83.08624	1.7
85.02881	1.6
91.05469	2.7
92.17894	1.7
93.07033	3.6
95.08603	3.6
97.06509	9.1
97.78261	1.7
99.04440	2.4
105.07025	3.7
107.04943	2.0
107.08588	6.3
109.10133	2.0
117.07005	3.1
119.08554	8.1
121.06489	7.0
121.10154	2.9
129.06996	8.8
131.08545	9.3
133.06483	2.4
133.10126	2.8
135.08052	1.6
141.06993	6.3
143.08556	13.6
144.05588	2.1
145.06476	2.9
145.10120	8.7
146.07243	6.3
146.87479	1.7
147.07974	1.8
153.01830	2.8
155.08534	12.0
156.09311	2.0
157.06477	1.6
157.10115	9.0
159.08051	37.5
159.11681	2.1
165.06981	9.1
166.07790	3.9
167.08490	3.5
168.09317	2.4
169.10143	15.7
171.08017	12.4
171.11606	7.6
172.08862	2.6
172.27699	1.5
173.05998	6.7
173.09576	19.5
178.07738	2.2
179.08554	3.8
181.10159	15.5
182.10829	3.1
183.08020	6.6
183.11699	15.0
184.08821	9.4
185.09622	6.6
185.13216	2.5
187.11206	7.2
191.08614	1.9
192.09334	2.7
193.10155	3.8
194.07335	2.6
195.08011	6.8
196.08804	9.4
197.09615	18.5
197.13268	13.4
198.10374	2.2
199.07628	2.1
199.09332	2.9
199.11139	40.8
201.08987	1.7
201.12814	2.0
203.06906	1.9
207.11713	9.2
209.09645	17.3
210.10365	8.9
211.07593	2.5
211.11185	26.2
212.08344	6.6
213.16403	2.3
215.10619	2.1
215.14279	1.8
220.08824	5.6
223.11110	2.3
225.12750	30.3
225.16322	2.9
227.10672	28.5
229.04967	3.7
229.12238	2.8
235.11140	10.2
238.09839	3.0
239.06892	1.9
241.12117	3.6
243.13727	6.3
243.17493	2.3
253.12221	22.9
253.19559	2.3
271.05991	100.0
271.08789	4.2
271.13269	84.5
271.16876	28.6
271.20532	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	271.133
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
55.05515	1.9
55.76929	0.7
57.03447	0.9
67.05486	1.5
69.03430	1.1
77.68707	0.7
79.05499	1.0
81.07065	1.7
83.04993	2.9
83.57847	0.7
91.05509	1.2
93.07034	1.4
95.04954	3.8
95.08578	1.3
96.86581	0.8
105.07011	1.9
107.04963	1.3
107.08585	1.3
109.06474	1.2
115.05399	0.8
119.08592	4.2
121.06467	1.3
121.10121	1.2
129.07005	3.4
131.08571	5.8
133.06482	0.9
133.10156	1.8
135.08113	1.4
141.07011	1.5
143.08575	7.4
145.06519	4.8
145.10123	4.1
147.08061	1.8
147.11694	1.1
153.06973	1.6
155.08514	9.6
156.09351	1.9
157.06511	1.6
157.10124	4.6
159.08054	6.8
159.11697	1.6
161.09621	3.0
165.07010	3.5
166.07707	1.6
167.08519	6.7
167.48378	0.9
168.09340	4.3
169.10118	12.7
171.08035	10.8
171.11674	1.9
173.05948	1.2
173.09637	4.6
173.13249	3.5
175.07541	1.6
175.11160	1.1
178.07784	1.3
179.08585	3.3
180.09296	1.6
181.06517	1.3
181.10088	7.9
182.10939	9.4
183.08047	6.2
183.11661	14.2
184.08817	1.4
185.09619	5.7
185.13264	1.3
186.10428	1.0
187.07585	1.2
187.11133	0.8
189.09148	1.0
192.09328	8.2
193.10159	4.8
195.08061	6.2
195.11705	5.3
196.08813	4.3
197.09596	9.7
197.11131	0.8
197.11688	1.0
197.13231	11.1
198.10452	1.3
199.07550	3.9
199.11194	6.6
201.05415	1.4
201.09140	1.8
201.12772	4.5
207.11685	10.0
208.08812	3.9
209.09685	6.1
210.10411	13.6
211.07588	1.0
211.11191	18.9
212.08313	1.4
213.09148	1.7
213.12775	7.8
213.16385	0.9
215.07037	0.9
215.14299	1.7
220.08847	3.9
223.11185	7.5
224.11986	1.0
225.05565	0.8
225.09293	1.0
225.12766	27.7
225.16347	1.6
226.09909	1.3
227.10638	4.9
227.17938	1.1
229.12279	1.3
235.11174	5.2
238.09875	3.5
241.12201	13.2
243.10138	0.9
243.13771	5.7
253.12254	19.2
253.15146	1.0
253.15602	0.7
253.19577	3.8
271.06259	9.6
271.13297	100.0
271.16791	9.1
271.20407	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	271.1327
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
60.00912	1.3
79.05467	1.6
81.07050	1.5
86.35003	1.4
86.48607	1.4
91.05451	1.9
93.07024	2.0
95.04952	1.9
97.06493	2.0
100.91032	1.3
102.55056	1.5
104.57391	1.2
105.07002	5.7
117.06986	2.0
119.04945	1.6
119.08566	2.1
121.06474	5.1
123.08008	1.8
129.06987	1.7
131.08595	1.9
133.06488	2.0
141.06987	2.1
143.08568	6.3
145.06456	2.6
147.07982	1.5
153.01813	2.5
153.06918	2.4
154.07719	1.8
155.08542	16.5
156.09367	2.1
157.10133	3.3
159.08047	7.4
165.06950	2.1
166.07706	2.1
167.08546	6.9
168.09338	2.7
169.10106	13.1
171.07985	2.9
179.08554	5.2
181.06490	2.5
181.10117	8.4
182.10980	6.2
183.08043	12.1
183.11703	7.0
184.08722	1.9
185.09572	6.1
187.11211	1.8
192.09319	8.4
193.10100	5.9
195.08057	8.6
195.11636	3.3
196.08817	9.8
197.09616	13.7
197.13202	19.9
199.11211	6.3
207.11668	14.4
209.09573	17.1
209.13095	2.6
210.10411	15.1
211.07597	11.3
211.11194	18.5
220.08815	6.7
225.12685	29.1
227.10603	5.8
229.11836	1.4
235.11124	9.0
238.09842	5.9
243.13724	2.0
253.12198	49.5
271.05984	100.0
271.13263	61.8
271.20401	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	271.1328
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
50.65824	0.9
55.78913	1.2
58.90016	0.9
66.43514	1.0
67.68702	1.0
69.03408	1.5
71.04976	1.7
75.56639	1.1
81.07051	1.2
91.05479	1.1
97.06537	1.3
107.08578	1.5
109.10181	1.4
117.17932	1.0
121.06406	1.2
122.84504	1.1
133.10205	2.0
140.91266	1.2
141.07021	3.0
146.07272	2.1
147.07990	2.5
153.01830	1.7
155.08565	9.1
159.08066	10.5
167.08549	2.3
168.09334	1.4
169.10103	12.1
173.05948	2.1
173.09575	2.2
175.07449	1.7
178.07707	1.8
179.08499	12.1
182.10866	1.2
183.08058	4.5
183.11678	10.9
192.09396	2.3
193.10104	5.0
196.08836	7.6
197.09612	64.3
197.11481	2.2
197.13283	4.8
198.10399	46.2
199.11070	2.4
201.09082	1.2
207.11641	5.2
210.10396	4.8
211.11165	100.0
212.12019	2.7
212.63066	1.1
213.12799	2.1
215.10715	4.5
219.22586	1.2
225.12718	43.3
229.12192	1.8
230.24754	5.5
235.11185	5.4
241.12228	1.4
253.12210	16.5
271.05988	98.0
271.13260	90.5
271.16672	4.8
271.20544	5.2
290.07843	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	271.1328
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
50.25170	1.0
53.79454	1.4
71.04977	2.3
71.57294	1.4
79.05463	1.4
81.07055	2.5
85.47974	1.4
95.08588	1.6
97.06558	1.6
117.06939	1.4
119.08627	1.3
125.06027	1.7
126.61501	1.2
129.07054	2.3
131.88980	1.3
141.06972	5.3
145.10161	1.8
155.08545	5.7
159.08026	7.4
159.11671	1.6
167.08627	1.8
169.10001	10.0
173.05977	2.4
173.09651	1.9
175.07562	1.7
178.07832	1.5
179.08559	8.8
181.10065	1.5
183.07993	3.3
183.11664	8.1
185.09560	1.7
192.09294	2.3
193.10110	2.0
196.08838	3.0
197.09608	57.4
197.13284	2.4
198.10393	38.7
207.11659	8.3
210.10391	5.8
211.11165	98.6
212.12022	2.6
213.12735	3.0
215.10648	3.3
225.12721	46.0
235.11142	8.5
253.12227	14.6
271.06003	6.7
271.13263	100.0
271.16635	4.9
271.20645	6.8
271.23987	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	271.1329
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
51.05773	1.3
60.30211	1.5
61.96819	1.4
69.03421	1.9
77.03263	1.7
79.05482	1.8
80.74896	1.5
93.07053	2.2
95.08596	2.2
99.04447	1.9
105.07026	3.5
107.08586	2.4
111.81777	1.6
116.45712	1.7
119.08510	2.0
131.08508	2.3
133.10094	2.5
135.11696	1.9
141.06998	3.5
145.10100	2.8
147.08044	2.6
155.08522	7.3
157.10057	2.1
159.08063	13.2
159.11644	2.8
169.10139	12.3
173.05939	3.2
173.09586	5.9
173.13269	2.5
179.08522	12.9
183.08049	2.8
183.11694	8.8
185.09581	8.1
187.07573	1.6
187.11099	2.4
193.10130	2.3
196.08873	6.5
197.09624	56.5
197.13249	9.0
198.10399	41.8
207.11679	3.0
210.10391	5.6
211.11179	100.0
212.11862	3.5
213.12837	1.7
215.10652	6.0
215.14284	1.9
215.54500	1.7
220.08752	1.9
225.12749	38.8
225.16360	2.9
229.12242	1.9
235.11145	8.0
241.12296	2.2
253.12157	18.9
253.19554	7.2
271.06146	3.0
271.13281	96.4
271.16818	9.5
271.20554	28.5
271.23572	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	271.1328
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
71.04985	7.5
77.03858	1.4
79.05473	1.6
87.75298	1.5
99.04449	1.8
105.07022	1.5
124.54086	2.0
131.08536	2.1
141.06958	3.7
143.08563	1.9
149.57416	1.4
155.08566	13.2
159.08044	2.8
169.10101	38.2
173.05971	3.2
173.09647	5.3
179.08499	8.4
182.10909	3.4
182.43152	1.4
183.08005	2.1
183.11682	36.4
185.09647	1.6
196.08862	2.5
197.09602	50.5
197.13245	33.3
198.10403	29.7
207.11713	7.3
210.10332	3.3
211.11166	87.0
215.10651	9.2
225.12730	61.5
228.32527	1.6
235.11209	2.8
241.12135	1.8
253.12247	16.9
271.06058	7.5
271.13275	100.0
271.16718	7.7
271.24051	2.5
278.42456	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	271.1329
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
50.31757	1.0
50.63557	1.2
53.41264	1.3
54.98309	1.1
55.05496	1.4
63.54084	1.2
64.25352	1.2
68.81599	1.2
81.07076	1.4
81.80350	1.4
91.05486	1.5
93.06995	2.7
95.04974	2.4
95.08571	2.0
99.39793	1.4
102.17743	1.4
105.07011	6.8
119.08559	2.3
119.78539	1.6
121.06475	2.3
133.06476	3.3
135.07965	1.6
143.08623	4.8
145.06462	1.6
145.10097	2.3
155.08557	7.2
156.09358	5.5
157.10074	6.0
158.56105	1.2
159.08029	1.8
161.09645	6.3
165.06961	2.4
166.07759	2.3
167.08540	2.2
167.47180	1.3
169.10144	13.9
171.08040	6.2
171.11649	3.0
173.09695	1.6
179.08652	1.7
181.10069	12.7
182.10928	8.4
183.08076	2.3
183.11757	5.7
185.09621	2.7
192.09332	5.3
195.08089	2.4
195.11694	2.9
196.08821	1.8
197.09587	12.0
197.13248	12.9
199.07512	1.5
199.11163	22.3
207.11705	8.7
209.09676	6.9
210.10399	9.1
211.11147	11.3
213.12665	2.9
216.26028	1.7
221.42027	1.5
225.12762	21.4
227.10651	18.4
229.12294	1.6
238.09904	1.9
241.12230	5.8
243.13797	6.8
253.12224	16.9
256.10962	12.3
271.05957	7.0
271.13293	100.0
291.65341	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	271.1692
Annotation	Hexestrol
Peak:m/z	Relative Intensity
56.03726	0.7
67.05499	1.1
78.86216	0.7
81.07039	0.8
95.08589	5.1
105.06962	1.0
107.08545	1.0
121.14845	0.8
131.08588	1.1
133.10193	0.9
143.08478	1.0
145.10120	1.4
155.08513	1.0
157.10130	1.3
159.08006	4.4
159.11736	1.3
161.09576	1.0
169.10046	2.9
171.08014	0.8
171.11623	1.2
173.09624	5.7
178.36235	0.7
183.11641	2.8
185.09628	2.8
187.11189	4.2
189.08995	3.1
197.09613	4.8
197.13281	1.4
199.11194	5.8
201.12776	1.8
211.11232	7.9
213.09082	1.5
213.12701	1.9
215.10728	7.9
215.14284	7.1
225.12706	3.3
227.14221	1.4
228.11380	6.7
229.12234	10.8
229.15730	1.6
230.15393	1.7
233.52141	0.9
238.13507	1.2
241.12311	5.4
242.53395	0.8
243.17397	1.8
253.12080	1.2
253.15903	3.8
255.13901	1.4
256.14432	3.9
271.13443	7.6
271.16895	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	271.1692
Annotation	Trenbolone
Peak:m/z	Relative Intensity
57.07061	1.3
64.42960	1.2
66.45305	1.5
67.05497	2.0
69.03435	1.6
73.38388	1.5
79.05492	1.7
81.07069	1.9
83.04974	2.6
91.05482	1.5
93.07015	1.9
95.08592	3.6
97.06522	2.2
105.07004	2.9
107.08590	6.8
109.10084	2.4
119.08560	3.0
121.06503	3.6
123.08013	1.9
124.40426	1.5
125.09610	7.2
131.08595	3.4
133.10139	2.3
135.08035	6.3
137.09592	3.3
138.93091	1.4
143.08566	6.0
145.10176	1.8
147.08092	2.4
155.08580	3.3
157.10092	3.4
159.08000	8.6
161.09680	3.1
169.10068	8.5
171.08006	1.8
171.11609	2.8
173.09602	10.6
183.11653	10.6
185.09578	2.5
185.13263	1.7
187.10991	4.7
193.10080	6.3
195.11662	2.4
195.55989	1.7
196.08701	1.7
197.09541	8.4
197.13278	2.6
198.44240	1.5
201.12817	2.9
211.11234	13.8
211.14828	8.9
213.12712	2.0
215.10661	2.1
220.12492	2.4
225.12671	1.6
225.16368	3.5
227.14241	3.0
229.12248	6.7
229.15868	6.3
235.14749	5.5
238.13483	4.9
243.17406	7.0
253.15863	17.2
271.06015	3.5
271.09720	2.0
271.13406	7.9
271.16901	100.0
271.19980	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	271.169
Annotation	Hexestrol
Peak:m/z	Relative Intensity
50.71772	0.7
52.73165	0.8
55.11754	0.9
57.07053	1.0
62.23275	0.9
69.03400	1.6
69.07060	0.9
69.30679	0.8
69.38472	0.9
71.04980	1.9
73.87785	0.8
74.00447	0.8
81.32387	0.9
84.50356	1.0
85.74127	0.9
86.43292	1.0
93.07025	1.1
94.10434	1.0
95.08591	4.9
97.06548	1.7
105.03380	4.3
105.07045	1.5
107.03819	0.9
109.10161	1.1
119.08600	1.4
121.06482	1.9
129.06976	1.2
141.06935	1.8
142.07707	0.9
143.08578	3.6
145.06563	1.6
145.07826	1.1
146.07272	1.5
147.08064	1.8
149.06052	1.5
154.81531	1.0
155.08563	6.6
157.10043	1.0
159.08046	14.1
165.06985	1.1
166.07774	1.9
169.10120	5.6
171.08034	2.1
171.11705	3.7
172.08832	1.3
173.05931	1.4
173.09595	12.8
175.07622	3.0
179.08485	2.2
181.10158	5.2
182.10902	1.4
183.08061	4.4
183.11679	5.0
184.08859	1.7
185.09630	1.7
186.10452	1.3
187.07626	1.2
187.11182	5.8
189.09131	1.4
192.09294	1.8
194.07256	1.6
195.08049	3.6
196.08812	1.7
197.09651	8.2
197.13286	4.1
198.10361	3.8
199.11142	18.4
201.09178	1.6
201.12785	1.8
203.10622	1.4
207.11530	1.7
209.09608	3.5
210.10365	6.1
211.11174	14.9
212.08347	1.1
213.09169	1.5
213.12682	4.2
215.10683	7.7
215.14203	7.5
224.11806	1.1
225.12755	13.1
225.16362	1.4
227.10698	8.8
228.11499	6.9
229.12308	13.7
229.15695	1.4
229.47307	1.0
235.11243	5.4
238.09818	1.3
241.12263	4.5
243.13843	1.3
243.17516	4.0
253.12294	8.4
253.15813	4.6
255.13741	2.1
256.14594	3.9
271.13333	28.6
271.16916	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	271.2056
Annotation	Clathrin B
Peak:m/z	Relative Intensity
51.44728	1.3
66.49046	1.5
69.07053	6.7
69.59641	1.3
72.18352	1.2
75.29008	1.4
79.05476	2.1
81.07043	8.5
83.08607	2.8
84.48421	1.3
91.05477	2.2
92.18481	2.5
93.07029	8.5
95.08591	10.9
97.06519	7.0
105.07006	6.2
107.08575	11.8
109.10143	8.7
117.07023	2.5
119.08566	10.4
121.06497	6.8
121.10133	10.1
131.08536	5.8
133.10127	10.7
135.08012	2.1
135.11665	3.5
137.09584	7.0
143.08583	2.8
145.10118	7.9
147.11668	7.2
149.09552	1.8
155.08522	3.2
157.10109	6.2
159.08005	2.2
159.11687	9.9
161.13231	2.3
163.11150	1.9
169.10033	3.1
171.11653	8.8
173.09583	2.6
173.13225	6.5
175.11223	1.9
183.11713	8.3
185.13184	3.3
187.11136	3.0
187.14896	2.0
189.12660	2.0
195.11722	2.0
197.13245	8.2
199.14828	2.5
199.70236	1.5
201.12733	7.8
211.11049	2.4
211.14778	7.3
213.16368	3.1
215.14281	7.1
225.12708	2.7
225.16304	2.0
227.17847	2.6
229.12318	2.4
229.15819	1.9
243.20981	6.2
253.12109	1.7
253.19501	18.6
271.06024	12.8
271.13217	6.0
271.16962	15.8
271.20529	100.0
271.23846	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
54.52995	1.0
55.05521	2.3
55.45910	0.9
57.07069	4.9
60.78816	1.0
67.05518	3.8
69.07065	4.6
71.04968	1.0
75.90022	1.0
79.05504	1.1
81.07045	7.1
83.08633	1.6
83.56676	1.0
91.05464	2.4
93.07033	6.5
95.04945	1.6
95.08607	9.2
97.06520	1.4
97.10183	1.3
105.07026	6.1
107.08616	10.3
109.06518	1.6
109.10179	11.8
111.08025	1.0
115.42850	1.2
117.07018	1.3
119.08585	11.9
121.06474	1.7
121.10141	13.5
123.08081	1.8
123.11682	8.8
131.08537	5.3
133.06561	1.0
133.10130	11.2
135.08064	6.3
135.11717	8.5
137.13277	1.2
139.69037	1.1
140.15068	1.1
143.08542	6.0
145.10107	9.2
147.08066	1.9
147.11714	1.7
149.09641	4.9
149.13304	2.0
155.08545	5.3
157.10123	5.8
159.08131	2.0
159.11687	8.7
161.09581	1.4
161.13258	4.0
163.11212	1.5
169.10081	10.4
171.11679	9.3
173.09633	7.1
173.13240	5.7
175.11121	5.7
175.14851	4.8
182.10883	1.5
183.11658	8.9
185.13185	2.5
187.11185	6.7
187.14801	3.7
197.13261	11.6
199.11186	2.1
199.14873	2.1
201.12709	7.9
209.13412	1.2
211.11259	2.0
211.14821	6.7
213.16408	2.3
214.13371	1.3
215.10635	1.6
215.14310	11.3
225.12785	1.4
227.18001	4.4
228.11415	1.4
229.12268	2.3
229.15826	2.4
229.19574	1.3
243.17355	1.8
243.21024	2.5
253.19514	19.9
271.13303	5.9
271.16968	42.5
271.20575	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	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14978	1.8
52.31820	1.7
52.97961	1.8
55.05514	9.6
57.07053	2.6
67.05505	28.2
68.15394	1.8
68.30882	2.0
69.07072	27.3
74.82404	2.1
79.05472	2.4
81.07054	40.5
82.23882	2.4
82.30348	1.8
83.08617	19.0
93.07047	3.3
95.08599	77.7
97.10162	25.2
103.93976	1.8
105.07042	3.0
107.08598	2.6
109.10152	39.6
109.96850	2.2
111.11715	12.9
119.08555	3.0
123.11707	17.5
133.10124	2.9
137.13257	12.5
147.11681	2.2
160.35031	2.2
189.20016	2.3
193.19510	14.0
202.74113	2.3
211.20566	34.0
217.19469	2.3
271.05988	100.0
271.16891	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	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.04615	1.6
57.07095	6.4
67.05484	4.8
69.07066	2.8
79.05462	4.2
81.07037	10.1
91.05498	3.5
93.07042	3.8
95.08585	12.7
105.06993	4.3
107.08587	3.2
109.10120	4.2
119.08559	11.5
121.10123	10.4
121.25336	1.7
131.08583	23.2
133.10098	11.7
135.11664	2.4
145.10126	26.6
147.11682	8.2
149.13217	4.3
159.11638	16.2
161.13266	2.3
173.13239	28.3
175.14812	3.0
187.14803	11.1
189.16373	3.9
201.16348	9.0
208.48984	2.1
215.17847	2.5
271.05966	9.7
271.12885	2.0
271.24179	100.0
287.34827	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.62465	0.9
50.79778	0.9
52.24578	1.0
55.05501	5.9
57.07081	2.2
66.17198	1.0
67.05491	6.5
68.15508	1.2
69.07047	6.6
79.05492	3.8
81.07055	33.2
83.08617	1.6
91.05487	9.9
93.07049	12.7
93.24457	1.2
95.08609	28.7
105.07026	35.2
107.08593	13.2
109.09571	1.1
109.10162	20.2
111.11705	1.5
114.83464	1.1
116.25331	1.0
119.08572	18.3
121.10148	18.8
123.11682	9.3
131.08571	4.6
133.10132	25.5
135.11719	13.0
137.13255	33.3
145.10104	7.0
147.11676	44.4
149.13268	15.9
152.64249	1.1
159.11668	9.3
161.13242	16.2
163.14841	7.9
163.22261	1.0
173.13210	7.3
175.14857	11.5
177.16331	4.5
187.14801	8.2
189.16321	8.0
197.09621	1.2
201.16431	8.1
211.11102	1.9
215.17920	29.8
225.47006	1.1
229.19507	2.5
241.64673	1.2
271.06036	5.1
271.13391	2.5
271.16849	4.4
271.20694	6.7
271.24176	100.0
278.35767	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05508	4.4
57.07053	2.9
61.84462	2.1
67.05496	5.7
67.89806	2.5
69.07060	16.4
72.07552	2.2
79.05492	3.4
81.07059	33.8
91.05449	11.0
93.07033	13.2
95.08598	33.6
98.44334	2.3
105.07040	34.3
107.08627	18.8
107.30959	2.7
107.97993	2.5
109.10139	20.1
119.08590	27.2
121.10130	16.2
123.11717	10.2
125.63603	2.2
131.08565	9.1
133.10109	38.6
135.11673	11.1
137.13272	30.4
145.10074	8.7
147.11670	41.3
149.13214	20.6
157.10097	3.7
159.11691	12.5
161.13216	15.1
163.14819	11.9
173.09705	2.8
173.13260	9.8
175.14865	12.2
177.16302	3.4
187.14830	5.5
189.16383	2.7
201.16386	10.2
215.17902	26.6
244.65405	2.5
253.19566	2.8
271.06049	4.7
271.13290	4.1
271.16721	5.1
271.20648	21.8
271.24203	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76116	3.0
69.07060	18.0
81.07043	20.6
83.08630	5.6
91.05451	4.4
93.07027	4.8
95.08591	20.0
97.10212	4.2
105.07021	21.9
107.08575	14.6
109.10172	17.5
119.08573	26.3
121.10140	19.7
123.11681	7.4
131.08528	3.3
133.10124	8.3
135.11679	6.6
140.42824	3.6
145.10120	4.3
147.11700	61.5
149.13257	6.4
161.13243	29.7
163.14835	4.1
173.13290	19.8
175.14853	8.6
177.16365	5.4
184.29681	3.2
184.54369	3.1
187.14836	4.1
201.16452	7.5
202.58340	3.7
215.17897	5.9
271.24216	100.0
271.27460	6.7
271.28305	6.8
276.52225	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	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.40881	0.6
56.96553	3.3
57.03441	0.7
61.02914	0.8
62.01251	0.7
65.03927	3.3
69.03416	4.0
70.06575	3.7
71.04057	0.7
73.02907	0.9
81.03423	1.0
84.04530	0.6
85.02894	11.6
85.80978	0.5
92.05004	78.0
93.05798	6.2
94.06565	11.8
96.04498	1.6
97.02872	4.2
110.06042	100.0
110.07217	2.6
114.05498	1.1
116.07081	1.3
122.97530	0.8
124.03929	0.8
124.99074	0.8
127.03899	2.8
131.03258	0.7
142.05013	0.8
143.00189	0.8
150.96950	0.7
152.07086	4.4
158.99614	1.3
168.98036	3.6
173.01146	1.1
176.06995	0.9
184.04842	0.7
185.05814	0.7
186.99092	5.0
203.02272	0.8
205.00273	0.7
206.55321	0.6
212.09143	0.8
212.97028	1.5
225.46228	0.6
226.07092	1.2
230.98053	3.5
248.99133	4.0
249.02690	0.8
254.10286	4.2
272.08121	2.2
272.11264	49.0
272.16122	2.2
272.16907	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.96521	2.4
54.45981	1.7
73.73053	1.9
91.05436	2.6
92.17849	3.3
93.07005	2.4
95.04974	16.8
95.08590	2.3
105.07095	2.6
107.04948	27.7
109.10210	3.1
119.04936	100.0
119.08611	2.5
121.10121	3.9
123.04428	70.4
131.08582	3.1
133.06483	3.5
133.10069	2.4
135.11748	2.8
139.03952	3.3
143.08368	2.3
147.04384	11.3
149.02354	26.4
151.03925	23.2
153.01840	3.5
154.61252	2.3
154.79045	2.3
157.10158	2.3
159.11595	3.1
161.05959	3.5
163.03935	5.8
165.74564	2.2
171.11642	4.5
173.13338	3.5
178.00377	2.2
179.03488	2.8
187.14885	2.5
199.14934	2.7
213.09180	3.4
215.06946	33.0
225.05421	4.1
227.07053	3.0
243.06473	29.1
245.08061	10.2
255.06500	3.1
255.21106	5.4
259.66824	2.3
273.04080	4.0
273.07474	29.5
273.10944	4.7
273.14825	14.6
273.18503	18.2
273.22131	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	273.0757
Annotation	5,8,4'-Trihydroxyflavanone
Peak:m/z	Relative Intensity
62.00254	1.1
63.57728	1.4
67.05502	1.4
68.99791	1.9
69.03410	1.4
69.07056	2.5
71.45524	1.3
73.63290	1.4
81.07055	2.4
83.04980	1.4
91.05446	5.9
92.18645	1.4
93.07012	2.2
93.19580	1.5
95.04968	18.4
95.08600	5.3
105.06990	2.1
107.04950	32.0
107.08566	1.9
109.06519	1.7
109.10136	3.1
119.04936	77.5
119.08548	3.5
121.02860	6.8
121.06519	3.1
121.10156	1.5
121.31907	1.2
123.04422	100.0
131.08601	1.5
133.06459	3.1
133.10094	2.6
135.04396	6.3
135.07999	2.1
135.11673	2.3
137.06004	2.1
139.03879	3.2
145.70953	1.5
147.04393	47.6
147.11649	3.4
149.02344	27.2
149.05957	5.9
151.03896	32.1
153.01817	66.3
159.11655	3.2
159.22945	1.5
161.05965	2.7
161.13158	1.5
163.03864	5.9
163.07553	1.8
167.08566	1.7
171.11647	1.9
185.13219	2.2
189.05432	2.9
193.08611	2.1
195.08037	2.2
199.07489	1.9
199.14774	2.2
207.16949	1.6
209.09679	1.6
210.87045	1.5
213.09161	1.7
213.16418	2.0
215.07008	28.8
217.08586	2.1
225.05518	5.1
227.06898	2.1
231.06511	1.6
239.70589	1.6
243.06519	29.9
245.08058	8.7
255.06546	7.6
255.09956	1.6
255.21013	7.0
273.04547	2.7
273.07538	77.9
273.11066	9.7
273.14828	17.6
273.18393	5.9
273.21976	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.79837	1.1
52.75723	1.2
53.28391	1.1
58.17481	1.1
58.36419	1.1
59.32393	1.2
63.96355	1.3
68.22237	1.3
68.99774	1.3
73.30586	1.3
81.07053	1.2
81.59928	1.3
91.05470	5.2
95.04968	12.8
102.94582	1.4
107.04961	21.4
109.10133	1.7
109.74795	1.4
111.00794	2.9
119.04935	63.7
119.08549	2.3
121.02840	3.0
121.06512	5.6
123.04420	61.0
128.87105	1.3
131.08528	2.0
133.06474	2.6
133.10167	1.7
135.04398	1.6
137.05951	2.4
139.03906	4.7
147.04405	59.7
149.02319	18.9
149.05949	10.2
151.03873	14.6
151.07562	2.8
153.01822	100.0
153.06975	9.1
159.11732	2.2
163.03905	3.0
163.07634	1.5
171.11694	1.6
179.03369	1.7
181.06451	22.6
183.69958	1.3
185.09610	1.4
189.05431	5.1
198.06735	1.9
199.07549	2.5
199.14705	1.4
209.06052	2.2
213.09056	19.0
213.16339	1.8
215.07040	19.0
225.05533	2.8
226.06305	1.4
227.06949	1.5
240.45811	1.2
241.08546	10.3
243.06488	12.8
245.08182	1.6
249.58968	1.4
255.06500	6.9
255.21156	1.7
266.19714	1.2
273.07590	85.6
273.11078	13.7
273.18481	6.3
273.22116	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	273.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56286	6.3
57.03430	17.2
58.91395	6.8
60.53643	6.2
61.02914	12.3
69.03422	48.2
69.62307	6.4
73.02898	32.0
81.03426	8.8
85.02906	100.0
97.02885	46.4
97.67720	7.0
127.03896	50.5
143.01871	87.4
155.01866	51.0
161.02988	57.2
167.01886	8.8
173.02928	56.4
183.04956	17.3
185.02924	16.1
192.05510	16.7
203.03990	52.0
245.05048	37.1
251.81737	8.5
263.06152	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	273.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
56.69308	1.1
57.03429	1.3
62.61177	1.0
67.05508	16.7
69.07068	8.1
70.95325	1.2
71.04998	11.4
72.44387	1.4
79.05495	12.1
81.03419	3.2
81.07065	10.3
83.04970	6.0
85.02899	15.7
87.04466	2.9
91.05475	3.1
93.07047	12.7
95.04955	3.2
95.08602	25.9
97.06523	2.1
99.04452	14.6
105.07043	2.5
107.08595	5.7
109.10148	7.2
111.04515	1.7
112.84720	1.3
115.03902	2.1
117.07043	2.7
119.04931	5.3
119.08569	5.4
121.06483	5.0
121.10130	11.9
123.04422	5.2
125.05975	1.2
127.03933	2.3
129.05515	1.3
130.06511	15.1
131.08549	6.2
132.08105	14.6
133.10132	2.4
135.08051	1.6
135.11700	2.1
137.05925	2.3
139.11168	11.6
142.06529	2.8
145.10112	4.9
147.04434	8.3
149.06006	1.8
153.01823	15.6
156.08032	2.7
157.07579	1.9
157.10168	1.4
158.08423	3.2
159.09164	100.0
159.11703	8.9
160.07506	5.1
169.07565	21.2
170.06001	45.6
172.07571	3.0
173.13171	2.9
181.07628	6.1
183.09175	7.1
183.11577	1.4
184.07579	20.2
185.07085	47.6
186.16844	1.5
187.08656	28.2
188.07054	4.6
191.14339	2.3
195.08044	1.6
199.08699	2.8
200.07059	17.9
201.10249	11.1
209.07129	2.0
213.09079	2.9
219.13721	10.1
223.07451	1.5
227.08168	48.2
227.10387	1.8
231.07680	7.9
245.09207	67.9
255.07565	8.5
255.11427	1.4
273.04666	2.0
273.08322	20.0
273.11737	3.6
273.15237	1.8
273.18591	2.9
273.22034	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	273.1118
Annotation	4-Hydroxy-3-methoxyacetophenone
Peak:m/z	Relative Intensity
61.79976	0.7
67.05501	0.7
68.99772	0.9
69.03413	0.7
71.00975	0.5
79.05456	0.9
81.07051	1.0
85.02882	0.6
91.05472	1.1
93.07015	2.1
95.08598	1.4
105.07025	2.9
107.04956	6.8
109.02850	1.0
109.06490	1.4
109.10081	0.6
111.04423	0.7
119.04892	0.9
119.08571	1.3
119.27489	0.5
121.06501	1.2
121.10123	0.8
123.04359	0.6
123.08037	0.7
129.05464	0.8
129.07036	1.1
130.08266	0.6
131.04872	0.9
131.08611	1.1
133.10130	0.8
135.08031	1.3
143.08556	1.1
145.06480	2.9
145.10114	1.0
147.04387	13.5
147.08020	2.6
147.11650	0.9
149.05949	0.8
149.09644	0.9
153.06920	1.0
155.08574	0.8
157.06509	0.8
157.10109	2.2
159.08038	3.3
159.11652	0.7
161.09709	1.0
165.06956	0.8
167.08566	0.9
169.10040	0.7
171.04410	2.8
171.07965	0.8
171.11598	0.6
173.09578	3.9
177.09200	0.8
181.06516	1.2
183.08047	0.9
183.11607	1.2
185.09616	0.7
185.13274	1.4
193.10254	0.7
194.10776	0.7
195.07927	0.6
195.11710	0.8
198.10464	0.8
199.11139	1.3
199.14983	1.2
201.09109	1.1
201.12723	2.3
209.06030	0.6
209.13235	1.0
213.09111	1.3
213.12650	2.4
222.10487	0.7
227.14287	5.2
228.07755	0.8
229.08574	99.3
237.12668	2.6
255.10161	12.6
255.13628	5.5
255.21118	0.7
264.68332	0.6
273.11206	100.0
273.14771	18.2
273.22144	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	273.1484
Annotation	Methallenestrilphenol
Peak:m/z	Relative Intensity
51.28670	1.8
53.96257	2.0
67.05531	2.4
69.03444	2.3
69.14409	1.9
81.07070	4.8
83.04966	2.6
91.05437	2.8
95.04965	17.0
95.08583	2.6
105.07021	3.7
107.04951	35.8
107.08580	3.3
109.06529	9.6
110.67862	2.0
110.69762	2.5
111.04462	2.6
119.04942	100.0
121.02873	4.5
121.06471	2.9
123.04433	66.4
123.94348	2.2
125.09603	3.4
127.41219	2.2
129.06978	2.6
131.08560	3.1
132.34503	2.0
133.06532	3.2
133.10112	3.6
139.03944	3.1
143.08562	10.3
145.06534	5.3
145.10123	3.5
147.04422	16.9
149.02344	27.0
149.09634	2.7
151.03888	24.9
153.07033	3.2
155.08572	3.3
155.38083	2.6
157.10088	5.4
159.08043	3.9
161.09581	5.0
165.06921	2.4
167.08548	5.1
171.11693	4.1
173.09637	20.6
179.08577	3.7
179.89967	2.2
180.09392	2.5
181.06442	3.6
181.10052	7.8
183.08157	2.8
183.11726	4.6
185.09654	11.1
185.13266	4.6
193.10121	3.4
194.10934	3.0
195.08037	2.8
195.11749	5.6
196.08664	2.9
197.09682	4.7
198.10332	4.1
201.09247	2.4
201.12837	3.3
204.09366	4.0
209.09630	2.9
209.13289	9.9
211.11197	17.2
212.11949	3.3
213.09091	2.6
213.12637	6.5
215.06947	18.9
219.11676	3.3
222.10396	4.6
227.14301	19.2
229.12326	5.1
237.12968	21.2
241.08708	2.9
243.06592	20.1
245.08128	4.8
255.06563	11.3
255.13824	31.5
273.03955	18.9
273.07568	38.8
273.11826	5.0
273.14847	96.1
273.18094	9.3
273.21967	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	273.1483
Annotation	Methallenestrilphenol
Peak:m/z	Relative Intensity
50.54396	2.7
53.03938	2.9
55.05522	2.8
56.02244	3.1
58.52523	2.9
59.16142	2.8
62.39201	2.8
69.03400	5.3
69.99280	3.1
71.56410	2.9
79.05482	3.8
81.07044	16.2
83.04972	6.9
83.89886	3.0
87.61597	3.6
91.05442	5.9
92.92886	2.9
93.07040	12.7
95.04951	6.3
105.07034	20.0
107.08604	5.9
109.06535	14.8
109.10159	4.3
110.91808	2.9
117.07041	6.7
119.08568	7.5
121.06476	7.2
123.08061	18.2
129.06993	7.6
131.08554	13.4
133.06477	17.2
135.08069	25.8
143.08551	18.9
145.10106	5.5
147.08032	15.0
153.01886	3.5
153.06897	4.2
155.08553	16.9
156.09351	4.2
157.10112	16.7
159.08041	15.0
161.09566	5.4
163.07518	3.9
165.06963	6.9
167.08562	16.2
169.10104	11.9
170.10960	4.1
171.07922	3.9
171.11719	5.3
173.09634	16.6
177.09099	14.9
178.07819	5.3
179.08545	22.0
180.09305	4.1
181.10110	11.4
183.08025	4.9
183.11664	5.9
184.08908	4.0
185.09616	19.1
185.13165	4.4
193.10167	13.8
194.01991	3.7
194.10924	16.5
195.11696	7.7
196.08852	7.6
197.09627	6.9
198.10332	4.7
199.11205	14.5
209.13277	27.2
211.11160	60.5
212.11935	12.2
213.12723	13.2
217.12170	4.3
219.11617	6.0
222.10381	19.0
227.14252	34.6
229.12256	5.1
231.13853	3.7
237.12762	43.4
240.11421	4.0
255.13773	86.5
273.06519	12.8
273.11887	4.0
273.14844	100.0
273.17786	4.6
273.21933	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	273.1485
Annotation	Methallenestrilphenol
Peak:m/z	Relative Intensity
55.01873	5.5
55.05508	6.9
57.03439	4.8
67.05493	24.3
69.03424	5.3
69.07051	8.3
71.04998	29.8
73.42941	3.3
78.04939	3.7
79.05489	15.7
81.03419	6.2
81.07064	29.0
83.04977	5.5
85.02903	22.1
85.06522	6.7
87.04480	4.4
91.05478	17.0
93.07044	44.3
95.04965	15.3
95.08602	43.9
97.06503	5.7
99.04450	7.4
99.08087	5.4
105.07024	23.8
107.04959	15.9
107.08595	9.1
109.06519	5.3
109.10166	20.3
111.08094	4.3
115.03894	3.6
117.07008	7.1
119.04917	33.3
119.08566	16.7
121.06513	29.2
121.10133	26.8
123.04435	23.6
123.07983	3.9
129.07037	4.6
130.55475	4.2
131.08545	21.2
133.06490	7.3
133.10109	8.1
135.08054	17.7
135.11688	5.5
137.05969	6.8
139.11179	17.6
142.07785	6.0
143.08575	16.4
145.06497	4.8
145.10135	19.4
147.04462	4.4
147.07986	4.0
147.11717	4.2
149.02396	3.5
149.05966	5.8
149.09642	4.5
151.03839	7.1
151.07516	6.0
152.56439	4.0
155.08536	9.3
157.10164	28.9
159.08073	18.9
159.11667	27.8
163.07532	7.4
165.06956	8.7
167.08553	24.0
169.10121	6.1
171.11716	7.9
173.09599	9.0
179.08514	32.0
180.09325	19.9
181.10135	21.5
183.11681	19.7
185.09663	15.8
185.13272	7.5
193.10196	5.6
194.10922	27.1
194.53198	4.0
195.08058	16.5
195.11745	41.1
199.11247	3.9
199.14824	7.9
201.12738	4.3
204.09259	5.6
209.09525	4.2
209.13257	51.7
211.11186	18.8
212.12000	3.8
213.09073	15.4
213.12723	15.2
219.13684	7.5
222.10402	17.1
227.14308	17.8
229.12166	7.3
237.12761	39.7
237.14841	5.5
241.08592	5.1
255.13751	42.0
255.15813	3.4
273.07529	14.8
273.12180	9.4
273.14853	100.0
273.18195	7.8
273.22076	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	273.1484
Annotation	Methallenestrilphenol
Peak:m/z	Relative Intensity
55.05509	1.7
57.67612	1.2
57.83591	1.1
67.05492	2.4
69.03422	2.0
69.07063	1.9
79.05482	2.1
81.07047	6.9
83.04967	2.3
83.08623	1.6
91.05447	2.3
93.07013	6.7
95.04971	8.7
95.08585	5.7
97.06547	1.9
105.07003	6.1
107.04934	11.0
107.08585	3.0
109.06487	4.9
109.10143	1.6
111.08101	1.3
117.06934	1.4
117.56471	1.5
119.04935	27.8
119.08552	2.5
121.02811	1.3
121.06475	2.3
123.04410	35.0
129.06985	2.5
131.08533	6.5
133.06493	2.7
133.10114	5.1
135.04366	1.4
135.08061	1.3
135.11703	1.4
137.05908	1.4
139.03949	1.6
141.07036	1.1
143.08543	8.0
145.06497	1.6
145.10118	6.2
146.07269	1.7
147.04408	2.9
147.08060	2.9
147.11655	1.2
149.02327	8.1
149.13235	1.7
151.03888	8.1
153.06967	2.0
155.08519	5.3
157.10107	5.1
159.08044	5.9
159.11655	3.1
161.09576	2.1
161.13235	1.9
163.03864	2.0
165.06944	4.8
167.08533	6.9
168.09302	1.8
169.10133	2.3
171.08069	2.9
171.11676	1.8
172.08774	1.5
173.09601	16.7
173.13240	4.6
175.07703	1.6
177.59521	1.3
178.07718	1.7
179.08519	5.9
180.09222	2.0
181.06496	2.1
181.10136	9.6
183.08087	2.1
183.11710	4.7
185.09608	9.5
185.13226	5.9
186.10367	1.3
193.10127	5.5
194.10901	5.7
195.08087	2.2
195.11687	7.1
196.08878	2.3
197.09592	7.3
198.10373	6.5
199.11197	7.3
199.14871	1.7
201.09172	1.5
201.12703	2.6
204.09406	2.7
209.09695	2.7
209.13248	7.3
211.11171	13.7
212.11902	2.6
213.09012	2.5
213.12740	9.1
215.07060	8.5
219.11618	6.5
222.10384	10.4
225.12709	1.6
226.09842	1.4
226.13214	1.2
227.06989	1.6
227.10825	1.5
227.14334	11.7
229.12216	7.1
237.12720	18.6
243.06528	5.4
255.06447	1.7
255.13773	29.0
255.21092	5.8
273.07556	14.2
273.14841	100.0
273.18326	7.6
273.21759	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	273.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	2.1
55.01875	2.7
55.05519	24.7
57.03429	7.3
57.07065	6.2
59.04994	1.7
60.48567	1.5
61.02921	3.2
67.05512	16.9
69.03438	25.9
69.07072	100.0
71.01340	2.2
71.04987	5.7
71.08621	7.6
78.55785	1.4
79.05501	11.0
80.55721	1.2
81.03423	24.5
81.04695	1.3
81.07063	22.7
83.04970	8.1
83.08620	5.7
85.02904	38.4
85.06547	2.2
85.10198	2.6
91.05482	9.5
92.18433	2.0
93.07040	14.5
93.66987	1.3
95.04967	18.8
95.08617	18.5
97.02872	9.6
97.06531	2.7
97.10178	2.5
99.04491	1.6
99.08069	3.3
103.03933	2.7
105.07025	8.6
107.04967	19.5
107.08582	13.1
109.02912	2.7
109.06533	3.2
109.10159	14.4
111.04424	7.2
111.08089	1.4
111.11698	7.5
113.09660	2.4
113.91103	1.6
115.03909	1.9
117.07031	2.7
119.04933	47.8
119.08551	9.9
121.06551	2.4
121.10110	5.2
123.04424	83.7
123.11690	7.5
125.05936	1.4
125.09632	3.2
127.03926	11.3
127.11192	2.4
129.05498	1.9
131.08557	7.1
133.06491	3.0
133.10123	5.5
135.04431	3.1
135.08084	2.8
135.11678	6.7
137.05971	1.8
137.09631	1.7
139.03926	3.3
139.11255	1.6
141.05560	1.6
141.12770	2.0
143.08577	1.9
145.04964	2.7
145.06454	1.5
145.10129	8.3
147.04420	8.6
147.08052	2.3
147.11694	6.7
149.02318	14.4
149.05901	2.1
149.13246	2.7
151.03917	17.7
151.11200	5.4
157.10213	1.8
159.11739	5.8
161.05936	2.9
163.03886	7.7
163.11176	2.1
171.08083	1.6
171.11652	3.0
173.13229	5.1
177.12746	2.2
179.03264	1.7
185.13185	3.2
187.07628	1.7
189.05530	1.8
193.10669	1.5
195.13811	5.3
199.07613	2.0
199.14841	2.6
207.13763	2.4
215.07008	18.4
215.17899	1.7
219.13824	2.6
225.14754	2.3
229.08612	2.2
237.14868	8.9
241.08545	2.7
243.06534	9.4
245.08151	6.3
255.06470	5.9
255.15901	2.4
255.21054	5.6
273.07550	26.1
273.11047	7.7
273.14792	10.7
273.18527	8.0
273.22116	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.34441	1.6
55.05501	12.1
57.03422	8.3
67.05505	65.3
69.07035	8.9
71.07915	1.9
79.05482	13.7
80.12091	1.7
81.07063	21.7
83.08582	2.3
91.05490	20.1
93.07035	20.6
95.04961	100.0
95.08598	15.4
97.06531	3.5
97.10139	2.4
105.07027	16.0
107.04954	13.4
107.08575	11.7
109.06500	13.4
109.10160	3.8
111.08056	2.9
117.07001	15.3
117.07698	2.1
119.08587	13.5
121.06502	9.6
121.10096	7.7
123.08016	2.0
129.06989	7.3
131.08556	22.7
133.06461	4.1
133.10088	8.9
135.08020	8.5
135.11664	8.2
143.08542	10.4
145.10141	23.3
147.08022	10.5
147.11664	3.1
149.09604	4.4
156.30305	2.2
157.10091	9.8
159.08084	3.3
159.11703	11.3
161.09605	9.6
171.11652	3.6
175.11194	3.4
177.12663	2.5
185.09576	3.5
185.13287	2.1
195.11671	2.6
199.14735	2.5
227.17847	2.1
237.16296	2.0
243.22237	1.8
245.18994	2.2
255.17538	3.5
273.18454	88.0
273.21506	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03991	2.4
55.05513	4.9
57.07083	4.8
61.03310	3.1
66.81569	2.7
67.05498	15.4
68.57391	2.9
69.07081	24.6
70.38622	3.3
71.08636	3.2
79.05492	3.2
81.07064	49.3
83.08611	5.3
92.18515	6.1
93.07021	29.0
95.08602	57.8
97.10178	3.7
105.07012	6.7
107.08595	43.0
109.10164	46.5
111.11719	5.0
119.08560	17.2
121.10145	33.7
123.11698	42.4
131.01379	3.2
133.10120	12.9
135.11668	23.7
137.13203	3.5
147.11661	16.6
149.13251	50.2
149.69511	3.0
159.28722	3.1
161.04799	3.2
161.13208	26.2
163.14841	29.4
175.14806	12.9
177.16397	17.8
189.16365	20.8
191.17909	4.7
203.17923	16.9
217.19463	25.6
273.18713	5.7
273.25760	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.59663	1.1
52.93993	1.2
53.29434	1.0
55.05507	6.9
57.07055	2.5
67.05476	6.9
69.07071	25.3
73.71191	1.2
79.05502	2.2
81.07066	20.7
83.08616	12.5
89.77916	1.6
90.54674	1.6
91.05495	2.3
93.07039	16.4
95.08605	43.2
97.10139	9.7
104.73724	1.3
105.07027	2.6
107.08586	28.2
109.09444	2.3
109.10144	33.5
111.11691	7.3
119.08560	8.3
121.10126	28.0
123.04404	14.7
123.11697	22.4
125.13197	1.6
133.10063	10.8
135.11681	23.9
137.13229	9.5
147.11633	7.2
149.12083	2.4
149.13245	47.5
151.14841	2.2
161.13211	7.1
161.76860	1.5
163.14795	52.4
165.16400	2.1
175.14796	7.9
177.16374	20.1
189.16360	9.6
191.17911	8.6
203.17975	10.8
211.35686	1.5
217.19598	15.9
231.20999	2.5
273.07602	2.9
273.25742	100.0
275.60739	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05509	4.3
57.07066	2.9
58.59358	1.5
60.28252	1.5
67.05485	7.4
69.07072	18.1
79.05486	2.7
81.07056	40.5
83.08595	7.0
93.07049	19.6
95.08607	44.9
95.12592	2.1
97.10143	8.3
105.06993	9.6
107.08590	26.9
108.29788	1.9
109.10155	28.6
111.11749	4.0
119.08551	6.9
121.10142	25.5
123.11687	22.0
133.10086	3.8
135.11684	24.5
137.13232	9.1
147.11679	7.6
149.13246	44.5
150.21779	1.5
151.14827	3.4
156.39441	1.7
161.13235	4.2
163.14815	60.2
165.46732	2.1
175.14813	10.4
177.16321	14.1
189.16394	10.1
191.17871	7.7
203.18062	12.3
217.19533	12.4
231.21092	2.8
273.18811	3.1
273.25735	100.0
273.28714	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	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.39826	0.3
51.52229	0.3
53.23197	0.4
56.29111	0.3
57.07087	3.4
57.19538	0.3
58.99071	0.3
61.25251	0.4
62.41287	0.4
63.50645	0.4
70.06279	0.4
70.06594	6.8
71.08602	1.8
80.65607	0.4
85.10170	0.7
88.07629	15.0
93.80920	0.3
102.09177	5.1
106.08669	11.9
115.79133	0.4
132.12955	0.4
141.41840	0.4
164.84480	0.4
219.87662	0.4
230.24759	0.5
256.23871	0.6
256.26346	10.4
273.89709	0.4
274.27383	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	274.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35987	0.5
51.55970	0.5
51.95606	0.6
57.07082	5.5
58.06598	0.8
69.43176	0.6
70.06271	0.6
70.06593	6.4
70.49965	0.6
71.08619	3.3
79.06102	0.5
88.07142	0.9
88.07626	14.5
90.00185	0.7
94.52447	0.6
102.09145	3.9
106.08662	10.4
125.19017	0.7
212.23691	6.4
230.24773	1.2
256.26309	10.3
257.31339	0.8
274.27390	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	274.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17459	0.4
57.07077	4.7
58.66383	0.4
60.63356	0.4
70.06596	6.4
71.08608	2.5
73.37353	0.5
88.07632	14.4
88.11896	0.5
102.09190	4.7
106.08675	11.4
114.42576	0.5
123.59298	0.5
149.66095	0.5
187.83150	0.7
220.46237	0.5
230.24789	0.9
256.26288	8.6
258.04153	0.5
274.27386	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	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.52515	0.4
56.92682	0.4
57.07077	5.1
58.06591	0.4
70.06604	6.1
71.08627	2.9
79.07886	0.5
79.22734	0.5
83.16727	0.5
85.10179	0.5
88.07635	14.6
102.09162	5.0
106.08673	12.1
134.55209	0.5
169.77336	0.5
202.43135	0.6
207.82892	0.5
212.23769	5.8
256.26318	10.5
274.27390	100.0
283.34857	0.5
295.68750	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13331	0.3
56.95629	0.4
56.96568	3.8
64.02334	0.4
64.78666	0.4
98.97578	100.0
98.98673	5.1
116.98611	23.6
116.99565	0.7
116.99794	0.7
122.02168	0.4
134.99632	3.5
140.00194	0.7
158.03952	0.9
172.94321	3.5
190.95331	1.8
214.95377	5.0
215.00848	1.0
232.96466	5.1
233.01746	0.6
250.97452	0.7
256.96411	22.3
274.97473	51.3
292.98514	16.8
297.99176	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.6
59.55642	1.0
65.94244	1.0
69.03430	2.6
73.02879	1.8
85.02888	4.6
92.17886	1.1
98.97585	100.0
98.98576	11.5
104.10741	2.2
116.98602	48.1
116.99728	8.0
128.10721	4.4
131.00177	1.4
131.01871	1.5
134.99640	12.6
135.00688	2.5
138.97250	1.6
150.34903	1.0
153.94568	1.0
172.94319	4.8
190.95380	1.9
214.95387	2.3
215.00906	6.0
221.03299	2.3
223.06294	1.4
225.06331	1.4
229.00298	1.0
232.96448	5.3
233.01927	6.6
239.04359	1.2
250.97435	1.2
256.96408	21.4
265.07632	1.2
266.07864	5.1
267.07559	2.5
274.97516	69.0
275.00885	4.2
275.06247	1.2
275.16028	5.3
289.33521	1.0
292.98572	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.6
65.03331	0.4
66.35881	0.4
68.76982	0.4
74.28431	0.4
98.97582	100.0
113.30339	0.4
116.98620	25.5
119.01931	0.8
126.93445	0.4
134.99655	3.6
140.00117	0.5
144.80779	0.4
171.04979	0.4
172.94324	4.8
190.95415	0.8
214.95387	5.4
232.96436	5.8
250.97354	1.6
256.93683	0.8
256.96405	24.9
274.97485	63.5
292.98526	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64666	2.0
63.34695	2.4
68.99787	4.9
69.03400	2.3
71.04991	59.0
81.03463	2.6
85.06522	2.9
93.29789	2.4
97.02900	4.4
109.02877	4.2
111.00806	3.9
112.11216	4.8
113.05994	4.6
121.02855	14.8
127.03930	3.9
130.12271	42.0
131.07030	11.1
135.04399	4.3
136.10349	2.6
137.05928	5.5
141.66331	2.3
145.06522	3.9
149.02330	76.0
150.03136	9.8
163.03844	17.0
165.01871	3.4
165.05472	21.2
167.03368	50.5
177.05470	5.7
179.03397	19.1
183.04434	3.6
189.05424	3.4
191.03375	94.4
197.06213	2.7
201.05489	22.4
203.03412	18.5
205.04936	17.2
211.03894	2.8
229.04955	54.1
233.04442	50.0
247.05984	40.5
251.05502	15.5
257.04459	63.2
275.02332	4.3
275.05466	100.0
275.19730	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	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48475	20.3
59.95804	21.7
60.52610	24.4
62.16369	20.2
68.48110	22.3
71.15801	25.3
71.20200	21.3
77.04871	28.9
84.07697	25.5
119.01963	26.2
132.70094	23.7
198.92093	22.4
275.01624	100.0
275.05594	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72777	1.5
61.72575	1.5
76.83874	1.6
78.47348	1.7
101.00883	23.5
101.73360	1.7
119.01207	2.1
119.01929	32.9
121.02838	3.3
127.02386	3.2
137.02879	2.6
143.01900	13.9
145.03441	18.1
153.03929	2.7
157.03468	6.4
159.05052	2.1
161.02946	9.9
167.01852	3.9
169.03456	69.0
171.05016	7.6
175.04492	3.1
185.02957	25.2
187.04512	61.9
189.02454	2.4
195.05038	2.9
197.02890	13.0
205.05553	6.7
211.04576	10.4
215.04019	11.9
229.05606	38.2
231.03459	2.6
239.04120	2.0
247.06667	10.3
275.06100	100.0
293.07156	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	275.0912
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
53.27187	0.5
66.04378	0.6
67.05468	0.8
95.04971	0.7
103.05466	1.3
107.04954	42.1
117.25065	0.7
119.04942	0.6
121.06491	3.0
127.03902	0.7
131.04939	0.7
131.42705	0.6
139.03899	100.0
145.06476	7.5
149.05975	27.0
161.05983	3.1
163.07549	3.2
169.04977	1.2
173.05940	1.3
185.81570	0.7
191.06973	10.8
233.08202	1.1
257.08102	0.7
275.09149	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	275.0912
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
51.34350	0.4
53.30253	0.3
55.01884	0.6
68.41010	0.4
68.99789	0.8
71.04976	1.7
74.76574	0.4
76.96237	0.4
81.07058	0.5
83.04964	0.9
85.02866	0.5
95.04960	2.6
95.08646	0.5
103.05447	2.5
107.04950	43.2
111.04454	0.5
121.06525	3.7
122.51173	0.4
124.05905	0.4
127.03903	0.7
131.04906	2.1
135.04416	0.7
135.08014	0.5
136.06154	1.9
139.03896	100.0
145.06471	8.1
149.02293	0.5
149.05965	26.7
151.03897	0.8
161.05980	2.9
163.03946	0.7
163.07538	2.6
169.04971	1.6
173.05963	3.0
179.06770	0.4
181.04977	0.9
191.03433	0.9
191.07028	12.2
229.04884	0.4
233.08119	0.7
234.13437	1.7
275.05853	0.8
275.09052	10.1
275.13861	0.7
275.16852	0.5
275.20035	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	275.0914
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
51.70945	3.8
55.01879	7.9
58.39550	3.8
69.03423	8.9
75.41281	3.3
81.07066	5.3
82.20029	3.9
85.02909	5.5
91.05487	6.1
95.08617	8.0
97.02889	18.8
105.07009	4.7
107.04944	4.7
109.10163	4.6
115.05432	5.2
119.08585	7.8
121.06493	14.5
121.10120	7.7
123.04401	7.6
123.95936	3.9
129.07039	4.8
131.04945	6.3
133.02844	5.6
137.05972	34.8
139.03973	6.0
141.06973	24.2
145.06415	5.7
147.08017	4.1
149.05980	23.5
151.03885	33.4
153.06981	20.0
155.98845	4.6
161.05946	16.4
165.05479	5.1
169.06467	70.8
171.04431	4.3
175.07555	35.2
177.05458	51.8
177.09061	7.5
181.06508	33.6
183.04422	5.4
186.06709	4.6
187.07529	43.8
189.05446	7.1
189.09145	5.0
191.07042	8.1
197.05972	70.9
201.09103	50.4
203.06996	37.5
205.04785	4.1
211.07489	13.6
214.06201	16.7
215.07021	45.5
217.04933	23.0
217.08572	7.8
225.05533	16.0
229.08585	100.0
231.06548	4.6
243.06598	5.5
245.08084	5.2
247.09700	8.3
257.08121	51.8
275.09055	97.0
275.11777	7.8
275.16492	28.9
275.20248	7.6
275.23431	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	275.0914
Annotation	Luteoliflavan
Peak:m/z	Relative Intensity
50.02761	0.2
51.35057	0.2
55.01856	0.3
59.94191	0.2
65.03927	0.4
67.05511	3.2
68.99773	0.5
69.03420	0.2
69.07057	0.3
71.04963	0.8
78.69250	0.2
81.07036	0.6
83.04985	0.4
91.05502	0.3
93.03403	1.3
93.07037	0.4
95.04955	2.0
95.08601	0.5
97.65430	0.3
105.07015	1.0
107.04961	1.1
107.08605	0.5
111.04437	1.2
113.06021	0.3
114.31658	0.3
119.08581	0.6
121.02872	0.3
121.10171	0.4
123.04413	1.6
127.07553	0.3
131.04941	1.5
137.05975	3.7
139.03902	100.0
142.24594	0.2
143.08614	0.2
143.89153	0.2
145.06509	0.3
149.06010	2.3
149.09700	0.3
153.05498	0.5
161.44247	0.3
165.05440	0.5
171.11757	0.3
229.13368	0.5
231.12241	0.5
232.12425	0.3
257.04639	0.3
257.07959	0.4
257.12915	1.3
275.05972	0.5
275.09070	7.3
275.13754	2.1
275.16553	0.5
275.20145	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	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32723	0.7
54.44335	0.7
55.01884	0.7
56.54939	0.7
57.03429	1.4
69.03423	1.2
72.08137	1.1
75.16579	0.6
80.22054	0.8
81.03405	1.2
83.04969	1.2
84.08138	1.1
85.02877	1.6
85.06522	1.7
88.39043	0.7
91.30323	0.8
97.02903	6.0
98.97530	0.9
101.00872	4.5
101.80756	0.8
103.07550	4.2
109.02886	1.7
115.87181	0.7
115.94416	0.8
119.01922	16.9
120.70066	0.7
122.33958	0.8
127.03905	1.2
137.02959	1.1
139.00291	0.8
143.01884	1.5
145.03406	1.1
167.01935	0.9
169.03448	1.6
174.39359	0.7
185.02946	4.2
187.04514	1.3
213.02481	1.4
229.05544	1.7
231.03430	1.0
252.04691	1.0
257.01349	4.0
257.04547	1.0
275.02667	2.4
275.05978	5.6
275.11002	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	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02584	0.6
55.87229	0.6
65.51939	0.6
71.04990	0.8
76.13161	0.7
84.08156	0.7
85.02895	0.8
92.16240	0.6
97.02869	0.9
109.02881	0.8
113.05975	1.2
116.18431	0.7
149.02293	1.4
154.97810	0.7
161.07089	0.8
163.03882	1.0
167.03354	2.6
179.03400	0.9
191.03363	4.8
205.04765	0.7
229.04895	1.4
233.04387	2.8
257.04471	1.5
275.05652	3.6
275.10974	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	275.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
76.15359	0.6
79.78525	0.5
81.07059	1.1
105.07017	2.5
119.08594	0.6
133.10153	1.1
147.11682	0.7
193.10149	0.7
203.08530	0.6
204.09270	0.6
205.10109	2.9
216.09451	0.7
217.10114	8.4
218.10861	4.1
219.11575	4.2
231.11646	3.7
232.12456	15.1
233.09573	2.4
233.13278	4.6
242.10913	3.7
243.11757	0.7
245.09535	8.8
245.13242	0.8
246.10370	8.4
247.11125	3.2
247.14798	21.2
257.13162	6.5
260.11938	47.9
275.14279	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	275.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17783	0.5
57.27259	0.5
60.92288	0.4
66.06604	0.5
79.62329	0.5
92.18535	0.8
94.71143	0.6
132.08907	0.6
179.08591	0.7
183.08028	0.8
190.07898	0.7
192.09421	0.8
193.10088	0.9
202.07771	0.8
203.08492	2.5
204.09319	0.6
205.10127	3.3
206.11023	0.8
207.11705	1.2
216.09288	2.1
217.10112	12.9
218.10893	4.5
219.11632	3.8
227.08441	1.0
230.10930	0.9
231.11612	8.1
232.08794	0.9
232.12456	24.8
233.09642	4.1
233.13257	5.6
234.10516	0.9
242.10899	3.8
245.09608	10.6
245.13225	3.4
246.10393	6.2
246.13992	0.8
247.11102	2.5
247.14799	21.7
257.13199	10.9
259.11139	2.1
260.11942	37.5
275.14282	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	275.1642
Annotation	Carbestrol
Peak:m/z	Relative Intensity
55.05513	4.9
63.17617	1.8
63.39297	2.0
67.05495	10.4
69.03423	3.7
69.07045	8.3
71.04988	3.7
79.05482	9.5
81.07052	16.4
83.04977	18.3
85.02918	2.4
85.06545	3.9
91.05469	12.4
93.07060	17.0
93.50564	2.1
95.04951	4.8
95.08585	14.2
97.06515	8.0
99.04481	1.9
105.07028	21.5
107.04923	14.2
107.08585	13.6
109.06551	16.6
117.07005	8.5
119.08571	30.0
121.06493	9.4
121.10137	9.8
123.08045	9.1
129.07028	14.1
131.08554	18.8
133.06479	4.1
133.10135	8.9
135.08054	23.3
139.03899	22.2
141.06970	8.4
142.07796	3.6
143.08553	22.8
145.06465	12.2
145.10112	15.9
147.08060	16.2
147.11708	7.7
149.05975	4.8
149.09622	11.9
151.07585	2.5
155.08534	25.7
156.09366	2.8
157.10060	14.2
159.08037	20.3
159.11693	8.9
161.09578	9.3
161.13217	2.8
163.06311	2.0
163.07452	15.4
165.06955	2.6
167.08542	4.0
169.10092	35.4
171.11684	7.5
172.52788	1.9
173.09607	17.6
173.13248	3.8
175.11185	13.8
179.08505	7.8
180.09306	4.9
181.10114	8.5
182.10876	4.8
182.81128	1.9
183.08015	2.4
183.11725	15.7
185.09654	7.5
185.13162	3.8
187.11209	7.5
187.14795	3.3
192.09337	2.3
193.10165	2.8
195.08066	2.7
195.11703	8.5
196.08771	2.2
196.12424	3.2
197.09642	19.3
197.13248	25.8
198.14043	13.9
199.11211	11.1
201.12758	4.6
201.16415	4.3
203.14287	2.7
206.10910	13.0
209.09686	2.2
210.10443	4.8
211.11287	11.3
211.14819	22.7
213.12732	23.7
213.86214	2.1
215.14384	9.1
221.13083	14.3
224.11922	4.0
229.15891	17.0
231.13834	2.7
239.14276	61.3
257.09219	3.2
257.15329	86.4
275.05502	3.6
275.13895	5.2
275.16425	100.0
275.19711	6.7
275.23303	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	275.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
63.17617	1.8
63.39297	2.0
67.05495	10.4
69.03423	3.7
69.07045	8.3
71.04988	3.7
79.05482	9.5
81.07052	16.4
83.04977	18.3
85.02918	2.4
85.06545	3.9
91.05469	12.4
93.07060	17.0
93.50564	2.1
95.04951	4.8
95.08585	14.2
97.06515	8.0
99.04481	1.9
105.07028	21.5
107.04923	14.2
107.08585	13.6
109.06551	16.6
117.07005	8.5
119.08571	30.0
121.06493	9.4
121.10137	9.8
123.08045	9.1
129.07028	14.1
131.08554	18.8
133.06479	4.1
133.10135	8.9
135.08054	23.3
139.03899	22.2
141.06970	8.4
142.07796	3.6
143.08553	22.8
145.06465	12.2
145.10112	15.9
147.08060	16.2
147.11708	7.7
149.05975	4.8
149.09622	11.9
151.07585	2.5
155.08534	25.7
156.09366	2.8
157.10060	14.2
159.08037	20.3
159.11693	8.9
161.09578	9.3
161.13217	2.8
163.06311	2.0
163.07452	15.4
165.06955	2.6
167.08542	4.0
169.10092	35.4
171.11684	7.5
172.52788	1.9
173.09607	17.6
173.13248	3.8
175.11185	13.8
179.08505	7.8
180.09306	4.9
181.10114	8.5
182.10876	4.8
182.81128	1.9
183.08015	2.4
183.11725	15.7
185.09654	7.5
185.13162	3.8
187.11209	7.5
187.14795	3.3
192.09337	2.3
193.10165	2.8
195.08066	2.7
195.11703	8.5
196.08771	2.2
196.12424	3.2
197.09642	19.3
197.13248	25.8
198.14043	13.9
199.11211	11.1
201.12758	4.6
201.16415	4.3
203.14287	2.7
206.10910	13.0
209.09686	2.2
210.10443	4.8
211.11287	11.3
211.14819	22.7
213.12732	23.7
213.86214	2.1
215.14384	9.1
221.13083	14.3
224.11922	4.0
229.15891	17.0
231.13834	2.7
239.14276	61.3
257.09219	3.2
257.15329	86.4
275.05502	3.6
275.13895	5.2
275.16425	100.0
275.19711	6.7
275.23303	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05503	9.1
55.83360	1.8
57.03429	1.9
58.44882	1.5
60.34214	1.5
60.44901	1.4
67.05489	12.0
69.07043	9.6
79.05476	11.2
81.07050	24.6
83.08590	7.6
91.05473	22.7
93.07028	13.7
95.08590	12.2
105.07024	25.4
107.04948	2.5
107.08590	17.2
109.06487	8.3
109.10175	6.1
117.06981	6.6
119.08572	28.3
121.10107	9.4
123.08038	2.3
125.09701	2.1
131.08531	10.9
133.10114	29.9
135.08044	7.2
135.11685	4.2
137.09564	2.5
145.10104	11.3
147.11662	18.6
149.09576	7.0
155.08517	2.2
157.10088	4.1
159.11650	8.4
161.13269	4.1
163.11066	6.3
173.13237	8.2
175.14780	3.5
183.11604	2.3
197.13339	2.1
224.71567	2.1
239.17952	2.1
257.18970	10.0
275.20026	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.10514	1.8
55.05500	11.5
64.08328	1.8
65.01929	1.7
67.05495	22.7
69.07056	9.5
71.04962	2.4
72.93368	1.9
79.05485	33.8
81.07042	16.9
83.08604	3.4
85.67936	2.1
86.76006	2.0
91.05472	19.4
93.07038	20.1
95.08595	11.9
97.06481	2.8
97.10174	2.8
105.07012	28.3
107.04922	17.4
107.08598	21.6
109.10170	15.1
117.07005	10.6
119.08566	28.0
121.10122	13.3
123.11652	2.8
125.09573	3.2
131.08572	15.9
133.10104	22.1
135.08014	7.8
137.63052	2.3
145.10106	11.7
147.11633	19.3
149.09601	61.1
153.09148	2.8
159.11665	10.9
161.13263	3.5
173.13229	3.4
229.19452	9.0
233.15192	3.2
234.15714	27.0
239.17955	3.6
243.33290	2.4
257.18866	14.8
275.20056	100.0
287.15421	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.33600	1.2
55.05500	7.7
57.03437	3.8
67.05473	6.7
69.07062	6.3
74.93090	1.5
77.05961	1.5
79.05480	3.8
81.07050	11.1
82.46807	1.7
83.04950	2.1
83.08603	6.2
87.91318	1.5
91.05474	21.6
93.07022	10.5
95.08595	6.9
98.88316	1.7
105.07024	35.1
107.08555	6.5
109.06487	2.5
109.10162	1.7
111.08090	1.8
117.06984	7.7
119.08572	39.2
121.10118	3.6
129.06981	1.8
131.08517	9.6
133.10109	32.5
143.08519	2.9
145.10106	9.7
147.11702	30.4
149.09576	3.7
157.10077	2.2
159.11690	11.6
161.13252	13.6
173.13263	2.3
183.11664	2.1
185.13260	11.3
203.14302	7.2
219.13878	1.7
231.27560	1.7
257.19019	12.9
261.16965	1.5
271.66803	1.7
275.20032	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	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05509	5.3
67.05496	13.1
69.07053	6.7
72.97326	2.9
75.59990	3.1
78.49378	2.8
79.05476	4.3
81.07037	15.6
83.08608	5.0
86.16283	2.5
91.05463	18.1
92.18556	6.4
93.07030	6.3
95.08584	13.6
95.83347	2.9
105.07049	40.8
107.08562	9.7
109.10146	4.8
115.68259	2.6
117.07023	5.1
119.08584	32.2
129.07071	3.6
131.08568	6.5
133.10124	30.6
139.37030	3.1
143.08479	2.7
145.10110	12.3
147.11691	33.8
150.93118	2.8
156.07828	2.8
159.11687	17.9
161.13269	6.2
173.13177	3.8
183.11639	2.8
185.13206	10.8
232.12654	4.0
245.09596	4.9
247.14775	9.8
257.19107	5.5
260.12021	13.1
275.14288	39.3
275.20053	100.0
275.27734	28.0
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	Cinmethylin
Peak:m/z	Relative Intensity
51.57670	1.6
55.05502	7.2
56.75141	1.2
66.88284	1.4
67.05516	10.6
69.03197	1.3
69.07051	7.1
71.05004	1.4
71.37576	1.4
71.41847	1.3
79.05508	11.1
81.07055	19.9
83.08605	2.8
91.05476	31.9
93.07048	13.4
95.08597	13.8
96.89148	1.6
105.07037	47.9
107.04981	1.8
107.08624	15.0
109.06491	2.8
109.10151	2.7
117.06999	7.0
117.44254	1.8
119.08581	36.7
121.10130	2.8
129.07022	1.6
131.08551	12.7
133.10127	48.7
133.11145	2.1
135.08067	2.1
135.11699	2.4
145.10091	9.8
147.11687	26.2
149.09595	7.6
159.11685	9.1
161.13203	6.5
163.11116	2.0
173.13246	3.6
192.29051	1.5
239.17886	2.1
247.08110	1.6
247.20670	1.7
257.18878	3.4
275.20038	100.0
275.23044	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	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05516	4.4
67.05502	11.6
69.07068	9.4
79.05493	14.6
81.07056	14.4
91.05494	17.1
93.07041	12.5
95.04967	2.5
95.08604	9.5
105.07027	43.3
107.08578	12.0
109.10159	4.1
117.06992	10.3
119.08562	33.6
121.10141	8.5
128.77718	2.1
131.08559	11.3
133.10133	39.7
140.40077	2.1
145.10130	5.4
147.11726	17.8
149.09634	2.5
149.13292	2.6
159.11693	4.7
173.13243	4.5
232.12491	2.5
257.19070	4.6
260.11859	4.1
275.14175	17.5
275.20032	100.0
275.27539	3.4
280.16489	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	275.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74608	0.5
57.07056	2.4
58.07411	1.1
62.00391	0.5
64.49644	0.6
70.06592	4.3
71.06880	1.2
71.08633	1.3
72.08978	0.6
85.10146	0.6
88.07626	10.3
89.07947	2.8
101.11143	0.6
102.09171	2.6
106.08655	8.3
107.00985	0.6
107.08993	2.5
173.33948	0.6
231.25127	0.7
245.44669	0.6
257.26630	9.9
275.27722	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	275.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74608	0.5
57.07056	2.4
58.07411	1.1
62.00391	0.5
64.49644	0.6
70.06592	4.3
71.06880	1.2
71.08633	1.3
72.08978	0.6
85.10146	0.6
88.07626	10.3
89.07947	2.8
101.11143	0.6
102.09171	2.6
106.08655	8.3
107.00985	0.6
107.08993	2.5
173.33948	0.6
231.25127	0.7
245.44669	0.6
257.26630	9.9
275.27722	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	276.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02718	0.7
51.43121	0.7
57.87888	0.8
60.04514	2.2
69.03428	1.1
70.06571	3.9
71.05001	3.0
72.93778	6.2
73.90792	0.9
80.34767	0.9
81.03416	4.5
83.06097	20.9
84.08125	1.7
86.09716	2.2
90.94829	6.9
102.94785	3.9
108.95861	1.7
112.07573	5.8
119.70490	1.0
120.95860	5.1
126.98408	1.6
128.96332	4.3
130.12242	1.3
130.94267	3.7
130.97897	1.2
132.10190	4.2
132.95837	15.7
140.96329	1.8
144.06552	0.9
144.95833	2.3
145.06052	1.6
146.97403	1.1
147.09190	1.3
150.02704	1.2
150.09807	0.9
150.96831	1.2
158.97377	19.6
160.99174	0.9
170.97380	18.6
174.96886	5.1
176.98401	1.7
188.98447	25.8
198.96902	6.9
216.97955	15.4
230.05251	1.1
231.14900	3.9
234.98975	25.9
253.00024	100.0
276.01645	33.2
276.08646	1.1
276.13559	7.1
276.17059	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	276.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89627	0.4
56.04506	0.5
58.06602	9.1
59.07378	4.3
60.07938	0.4
60.08168	6.4
66.90484	0.4
67.04259	0.4
84.04501	0.5
85.02909	0.6
85.87231	0.5
86.09706	2.5
94.60246	0.5
100.07593	0.9
100.45519	0.4
113.02357	3.7
114.02668	2.8
128.07062	3.1
141.01172	26.1
142.08623	0.9
143.02727	2.3
156.10191	0.5
157.00664	1.0
166.99110	2.1
180.87692	0.5
185.00108	2.7
185.06166	4.9
200.08524	100.0
201.09268	2.6
202.10083	2.8
226.06430	0.5
230.10191	2.5
232.11317	1.5
235.06560	0.7
244.07503	13.5
253.07738	1.9
258.08035	0.6
276.07352	1.0
276.10126	21.7
276.14105	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	276.1231
Annotation	Orixalone D
Peak:m/z	Relative Intensity
52.96745	0.4
61.53931	0.5
67.24764	0.5
67.65550	0.6
68.13924	0.4
70.06597	7.5
73.93085	0.5
74.41908	0.5
80.05002	0.5
82.06616	0.4
89.08887	0.5
103.05434	0.9
106.06520	1.0
114.05515	2.3
116.07065	7.5
117.06997	0.6
127.88633	0.5
131.04932	15.6
137.05959	9.6
140.06996	0.5
143.04942	0.7
146.03554	1.1
147.04396	0.7
148.05147	0.7
152.07076	1.2
154.25974	0.6
161.05978	22.1
163.07509	4.8
175.07562	4.4
187.07579	0.6
187.96967	0.5
188.07030	0.8
192.03772	0.9
193.87993	0.5
203.07132	0.7
216.10236	2.4
217.10989	2.1
221.08060	0.6
230.11765	2.5
258.11353	0.7
261.09863	3.8
276.12292	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	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32204	0.5
51.48820	0.5
54.25319	0.5
60.33265	0.6
70.06579	3.5
72.23078	0.7
74.53552	0.7
77.41109	0.6
80.24625	0.6
81.04432	0.6
85.02885	2.6
91.05492	4.7
113.02326	1.1
116.07074	1.5
120.08080	0.8
122.06036	1.0
129.07001	3.5
131.04945	6.5
134.09650	100.0
137.05959	2.6
143.97313	0.7
147.04402	3.9
149.59534	0.7
157.06464	6.8
161.05966	11.6
163.07520	1.2
175.07463	1.1
185.04460	1.2
185.05972	21.9
189.05452	4.3
203.07018	36.7
203.08923	1.3
213.05452	10.9
225.39952	0.7
226.62332	0.7
231.06447	5.7
258.04846	1.1
261.09851	1.0
276.09265	1.5
276.12280	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	276.1229
Annotation	CHEBI:70085
Peak:m/z	Relative Intensity
57.15860	0.5
64.47939	0.7
70.06588	8.8
92.18520	1.6
107.04965	0.8
114.05503	1.7
116.07085	7.7
117.06969	0.7
128.03424	1.1
131.03975	1.0
131.04922	16.8
137.05968	8.5
140.06998	1.1
143.04872	0.9
146.03633	0.9
147.04430	0.8
152.07047	0.9
161.05946	21.4
163.07535	6.2
168.03639	0.8
174.73294	0.7
175.07523	5.1
183.37296	0.7
188.07080	4.3
205.09755	1.1
216.10104	3.5
217.10982	1.3
221.08171	1.6
230.11755	0.9
231.12543	1.0
261.09924	3.7
276.12280	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	276.1441
Annotation	O-glutarylcarnitine
Peak:m/z	Relative Intensity
55.01870	1.4
55.05521	14.8
56.05016	1.1
62.97747	0.9
69.07072	16.8
72.23248	1.0
83.08158	1.8
83.08621	35.9
84.04503	76.5
87.08096	12.5
92.33492	1.4
93.07039	12.9
102.05540	51.2
111.08083	9.4
129.09074	10.2
130.04988	74.2
148.06042	100.0
167.03406	1.0
198.08205	1.0
215.48299	1.2
230.05504	1.3
240.47269	1.1
251.80760	1.0
258.04886	1.1
258.13297	7.4
276.05875	2.1
276.14322	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	276.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28035	0.9
68.91444	1.1
71.08629	32.2
78.15394	1.1
91.05476	13.7
97.49834	1.0
99.08096	13.7
112.11230	4.5
117.05761	10.1
119.04955	12.9
119.52314	1.1
130.12268	2.6
132.08087	100.0
134.95897	1.1
136.30959	1.1
150.09142	92.3
152.97015	1.2
173.13638	1.4
178.08588	2.0
200.98459	1.2
202.40866	1.4
235.01036	1.3
248.13864	2.7
248.16434	70.4
276.15982	14.3
294.69315	1.1
296.21402	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	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
52.45281	0.4
55.17228	0.5
57.25212	0.4
61.39851	0.5
65.21961	0.4
81.07053	0.7
105.11183	0.6
110.04285	0.5
110.90730	0.5
123.11703	5.1
138.05504	12.1
138.09152	0.7
150.33789	0.6
180.10204	3.3
258.18527	1.2
261.08945	0.5
270.18665	0.5
275.12570	0.5
276.19589	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	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39525	1.3
71.29713	1.3
97.63359	1.3
100.32668	1.3
101.00871	10.8
109.02920	1.7
119.01911	10.9
127.02377	2.7
130.08603	1.4
131.01852	1.5
133.03439	2.8
139.02412	2.6
142.01109	1.4
143.01869	7.8
145.03386	6.1
156.02615	2.9
157.03448	17.6
159.05031	1.9
161.02917	6.7
166.01134	2.2
167.01846	3.2
175.04451	6.4
183.05051	5.3
184.02118	3.0
185.02928	8.4
195.59380	1.5
199.04448	7.3
203.04027	3.2
207.88669	1.6
217.05536	11.4
235.06589	15.0
253.07561	9.7
277.07550	100.0
295.08740	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14931	1.3
56.05044	1.8
56.79431	1.7
66.52855	1.5
70.06589	1.9
81.03430	7.9
83.06128	2.4
83.48781	1.5
83.61594	1.4
85.02908	9.3
97.02904	8.7
110.18484	1.6
111.05609	2.7
113.07130	2.3
123.04453	10.7
127.03893	17.2
129.07013	2.6
131.04945	8.6
137.06010	8.3
138.06310	2.2
139.03938	9.0
140.08195	2.1
147.04329	2.1
150.05530	2.0
151.03909	60.4
151.07509	13.2
157.06529	2.1
161.06001	3.8
162.06441	2.7
163.07574	6.4
167.30042	1.5
171.08046	3.2
175.07478	5.8
179.07077	8.1
181.08633	2.2
187.08952	1.8
189.09138	3.4
191.07176	1.8
199.07608	7.7
201.09164	2.7
202.09807	1.9
205.08681	1.7
213.09148	2.3
215.07057	1.8
217.08723	3.6
230.09262	2.0
231.07706	20.1
231.10106	4.6
233.14096	3.0
235.16978	2.2
259.09708	8.6
259.11996	19.8
277.07236	9.8
277.12991	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	277.1071
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
55.01883	4.3
59.92551	1.7
69.03418	8.2
72.83448	1.9
73.02905	3.3
81.03416	20.4
92.30258	1.8
97.02892	14.3
103.05466	2.7
115.05447	9.2
117.06989	8.1
117.49223	2.1
118.83971	2.0
128.06265	2.3
129.07014	8.3
129.86246	2.0
131.04918	16.4
137.05972	13.1
141.06976	10.2
143.04895	3.3
143.08565	4.7
145.06483	15.9
147.04456	2.8
147.08035	4.2
151.03889	2.6
151.07475	4.2
153.06979	12.7
157.06476	12.9
158.07320	2.4
159.07996	9.4
160.05183	18.2
161.05957	5.1
162.06775	4.7
163.07524	13.7
169.06488	22.4
170.07251	3.1
171.04445	3.8
171.08035	13.1
173.06015	2.2
174.06790	8.8
175.05998	3.7
175.07535	100.0
177.05449	3.1
177.09129	17.1
179.07050	3.1
181.06456	23.8
185.06021	4.6
186.06767	9.8
187.07523	62.9
189.09125	23.5
191.07056	9.5
197.06030	11.2
199.07565	19.7
201.09113	41.0
203.07021	16.2
203.10574	4.4
205.08601	3.5
209.08104	8.4
211.07568	2.6
213.09082	10.5
214.06340	4.2
215.07002	4.6
217.08636	9.3
219.10167	2.5
227.06993	3.1
229.08525	26.7
231.10262	8.1
233.08061	5.2
247.09599	4.7
259.09680	12.9
277.10712	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1216
Annotation	(1E,6E)-1,7-Diphenyl-1,6-heptadiene-3,5-dione
Peak:m/z	Relative Intensity
52.98579	1.2
54.64332	1.3
55.01873	2.0
60.74374	1.4
60.78354	1.6
61.24775	1.3
71.06087	9.2
72.04495	4.0
76.02216	5.8
76.23383	1.4
77.00625	31.6
84.04499	11.1
84.08132	2.4
85.06510	2.9
87.20063	1.6
99.05576	15.6
104.01704	5.2
105.60528	1.8
108.38097	1.7
108.88625	1.5
118.03215	7.7
124.07560	6.3
125.07094	2.1
126.00536	1.6
130.03217	58.2
142.08633	15.2
147.05870	38.0
148.04254	17.4
148.09671	6.2
162.06297	1.8
175.05339	6.3
183.11237	7.4
184.09621	11.9
202.10657	2.7
213.12347	2.9
224.26370	1.5
259.11111	16.4
277.12204	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	277.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69727	0.3
56.26759	0.4
63.02058	0.3
66.30212	0.4
70.54774	0.3
79.05509	0.4
81.07040	0.7
82.06621	0.4
108.08116	0.5
109.06520	0.6
110.06003	0.5
124.07581	7.1
126.09132	3.1
126.39959	0.3
136.05046	0.4
141.04617	0.4
152.07050	10.4
154.08620	100.0
244.12102	0.4
259.14481	2.1
277.15646	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	277.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10241	0.4
69.07063	1.7
79.05489	0.7
81.07063	1.6
82.06566	0.7
96.08138	0.7
105.07050	0.6
109.06561	0.5
111.34497	0.4
115.07580	0.6
122.06001	0.5
124.07586	6.3
126.09146	8.4
146.52361	0.4
151.03757	0.4
152.05251	0.5
152.07059	49.5
154.08620	100.0
187.07562	0.5
189.40720	0.4
203.27449	0.4
214.12108	0.6
215.03435	0.4
242.11752	0.4
244.12160	0.7
259.14389	2.0
262.13458	0.4
271.23953	0.4
277.08658	0.9
277.15472	3.9
277.18182	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	277.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
58.81919	0.5
62.00166	0.5
69.07050	0.7
79.05487	0.8
81.07042	0.6
91.05474	0.6
93.07021	1.0
95.08522	0.6
105.07005	0.7
107.08608	0.9
115.56940	0.5
119.08536	2.2
129.07004	1.1
133.10143	0.5
135.08031	0.9
143.08533	1.2
155.08542	2.1
157.10132	0.7
159.07991	0.6
164.66817	0.5
168.11046	0.5
169.06473	0.8
169.10078	1.1
171.07922	0.6
178.07788	0.7
179.08492	2.4
180.09393	0.8
181.10095	1.2
185.09630	0.6
192.09366	1.2
193.06847	0.5
193.10130	6.5
194.10849	1.0
195.11647	0.8
205.10126	2.3
206.10875	5.5
207.11726	8.9
217.10133	1.2
218.10934	1.1
219.11655	8.7
220.08861	0.8
220.12491	6.2
221.09735	4.8
221.13263	3.1
222.10408	1.2
229.10117	3.6
230.10847	2.0
231.11763	2.2
233.09615	3.4
233.13208	3.6
234.10326	2.9
234.14003	11.2
235.11211	7.1
235.14816	6.1
244.12450	11.0
247.11151	15.2
248.11914	3.3
249.12659	0.9
249.13690	0.8
249.16351	17.4
259.14832	11.1
262.13507	26.4
269.24084	0.6
277.15854	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	277.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12610	0.8
63.97150	1.0
68.59049	1.0
69.03423	1.7
69.07055	1.0
81.03420	1.4
81.07066	1.7
91.05450	1.4
93.07030	1.1
105.07020	2.6
107.04945	1.7
107.08573	1.4
119.08551	4.1
119.33790	0.9
121.06494	1.4
129.06966	1.8
133.06470	1.6
133.10077	1.8
143.08565	4.3
145.10120	2.1
147.08043	1.2
157.06467	1.9
157.10110	4.4
167.08507	2.1
168.06490	1.0
169.10152	2.1
170.10777	1.1
179.08615	1.6
181.10085	5.8
182.10927	1.7
183.11697	1.6
191.08589	1.3
192.09277	2.2
193.10117	5.8
194.10902	2.6
195.11626	1.7
196.12552	1.1
205.10164	2.2
206.10928	4.2
207.11656	9.5
208.12509	2.1
209.13284	6.7
217.10208	1.3
218.11050	1.3
219.11594	7.8
220.12482	7.3
221.09569	1.6
221.13287	6.6
229.10149	7.0
232.12506	1.7
233.09660	1.9
233.13274	2.6
234.10349	1.9
234.14072	14.4
235.11235	7.4
235.14766	4.6
244.12430	9.3
247.11183	12.5
248.12065	2.4
248.15454	1.3
249.12596	2.2
249.16396	12.8
259.14847	14.6
262.13486	29.3
268.02423	1.2
277.15869	100.0
287.99149	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	277.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07041	3.7
70.43313	0.9
81.07037	0.9
91.05413	1.3
92.17919	1.3
95.08580	4.5
105.06993	3.8
105.11431	0.9
107.08555	4.2
109.06467	1.9
119.08495	5.1
121.06450	1.8
121.10101	1.0
123.11694	1.4
131.08495	1.4
133.10072	3.8
143.08467	1.3
144.23892	1.0
147.08003	3.6
149.09605	1.0
157.10089	2.0
159.11780	1.0
161.09558	6.9
171.07979	1.4
179.08479	1.7
181.10042	1.6
185.09494	0.9
192.09351	2.0
193.10158	5.9
199.14757	3.5
202.07780	1.1
205.10037	1.5
206.10852	5.2
207.11649	11.6
217.15866	55.5
218.11011	1.1
219.11736	9.3
220.12473	5.9
221.09535	4.0
221.13258	6.1
222.10358	1.1
229.09839	1.0
230.10782	1.1
233.09500	3.8
233.13153	3.0
234.10362	1.8
234.14027	10.4
235.11162	7.6
235.14752	7.0
244.12402	5.2
247.11136	12.1
247.14755	1.4
248.11855	3.2
249.16380	16.2
249.21935	0.9
259.14807	8.5
262.13483	23.9
277.15741	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	277.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46522	0.6
55.05505	0.6
69.07058	0.9
79.05486	1.1
80.06034	0.6
92.18526	1.0
95.44324	0.7
105.07011	1.8
107.08591	1.1
119.08555	0.9
129.06984	0.8
131.08516	0.9
135.08096	1.2
143.08549	1.7
147.89055	0.9
155.08611	2.8
157.10054	1.0
167.08430	1.2
170.10985	0.8
171.07961	0.8
178.07872	0.9
179.08595	3.2
181.10153	1.2
191.08521	1.0
192.09361	1.7
193.10118	5.9
194.10896	1.0
195.11656	0.9
204.09306	1.1
205.10153	3.2
206.10880	3.3
207.07976	1.2
207.11676	11.0
209.09715	0.9
217.10062	1.3
218.10811	1.5
219.08098	0.8
219.11650	11.0
220.12418	4.6
221.09613	5.2
221.13196	4.0
229.10085	1.9
232.12556	1.6
233.09550	2.7
233.13297	5.8
234.10431	1.3
234.14011	13.8
235.11197	10.2
235.14729	5.9
244.12479	9.3
247.11127	10.3
248.11845	1.9
248.15614	1.3
249.12672	1.3
249.16357	14.9
259.14755	11.1
262.13504	24.5
262.16107	1.4
277.15848	100.0
285.27213	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	277.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84578	0.6
66.66879	0.6
67.05457	0.8
76.61211	0.7
89.40647	0.7
92.18768	0.6
105.07022	1.0
107.08635	0.9
119.08531	1.0
129.07002	1.1
133.10146	0.8
144.96977	0.8
155.08450	1.2
158.55756	0.8
159.90916	0.8
170.10881	0.9
179.08502	1.1
192.09387	1.3
193.10107	3.4
205.10248	1.3
206.10852	2.9
207.07976	1.1
207.11737	7.9
217.10089	0.8
218.10774	0.8
219.11682	9.8
220.08852	0.9
220.12450	4.5
221.09686	2.7
221.13281	5.3
222.10396	1.0
229.10190	1.5
233.09541	2.7
233.13258	3.9
234.10350	3.2
234.14020	12.4
234.50391	0.8
235.11194	8.5
235.14807	4.6
235.16930	0.8
244.12531	7.1
247.08859	1.1
247.11163	13.5
247.14798	1.1
248.11978	3.8
249.12753	1.2
249.13640	1.0
249.16328	15.8
259.14771	9.0
262.13513	25.6
277.15851	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	277.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	17.5
64.82880	0.4
67.05497	0.9
69.07072	0.7
79.05495	2.2
81.03409	1.0
81.07040	2.7
82.28840	0.5
83.08617	0.7
91.05486	1.1
93.07024	2.6
94.23286	0.5
95.04955	1.0
95.08604	0.8
99.72659	0.6
105.07026	2.9
107.05014	0.5
107.08599	1.2
115.78445	0.5
119.08599	4.3
121.06465	1.9
121.10152	3.1
129.07005	0.7
131.08542	0.6
133.06563	0.9
133.10165	0.7
135.11681	2.5
137.05988	0.7
143.08583	2.3
145.10167	1.9
157.10110	0.9
161.09573	1.1
167.08485	0.7
169.10101	1.2
171.11697	0.7
177.12743	2.1
179.10657	18.3
179.12158	1.0
181.10074	0.9
183.11765	0.7
192.09352	0.8
193.10146	2.8
194.10919	0.9
195.11691	1.0
196.12416	0.8
199.15411	0.5
202.07558	0.5
205.10103	1.0
206.10840	0.7
207.11667	2.7
209.13269	2.4
219.11646	2.9
219.13841	3.4
220.12453	1.0
221.09610	0.7
221.13260	1.1
222.10530	0.7
229.10049	0.7
233.13200	1.1
234.10464	0.6
234.14105	3.6
235.11252	2.4
235.16913	100.0
244.12537	3.7
247.11143	2.9
249.12617	0.7
249.16362	5.3
259.14883	4.7
262.13495	5.7
277.15732	25.5
277.18045	49.9
277.21518	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	277.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.8
63.14123	0.6
75.73320	0.7
93.07024	0.9
95.08601	1.1
97.67581	0.8
105.04287	0.6
105.07013	1.5
109.18390	0.6
119.08521	0.9
129.06996	2.7
133.10114	0.9
141.06995	0.8
143.08537	1.0
157.10141	0.7
183.08028	1.0
192.09297	1.4
193.10127	4.1
194.10841	0.7
205.10144	1.5
206.10870	3.1
207.11653	6.3
217.10052	2.6
219.07994	1.2
219.11664	4.3
220.08824	2.8
220.12424	5.9
221.09657	2.3
221.13277	2.9
229.10149	3.3
230.10780	1.0
233.09587	1.5
233.13197	2.9
234.10422	7.1
234.14027	10.7
235.11203	9.1
235.14742	3.9
235.16904	2.1
244.12422	8.5
247.11185	14.6
247.14780	2.3
248.11978	4.0
249.12708	1.4
249.16402	9.3
259.14825	8.5
261.12656	1.1
262.13501	23.1
277.15845	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	277.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10116	0.7
61.59114	0.6
79.05474	1.3
81.07034	0.8
81.81566	0.7
91.05486	3.4
95.33261	0.8
105.07016	1.4
107.08574	3.6
108.05790	0.7
110.99368	0.7
119.08563	3.3
129.07024	4.2
133.10110	2.9
143.08565	3.9
155.08543	1.3
157.06410	0.9
157.10146	3.2
159.59090	0.8
171.08051	0.8
175.07494	1.0
179.08429	0.9
180.20728	0.8
183.08067	1.4
192.09366	1.6
193.10127	1.7
194.10944	1.0
195.08008	1.0
206.10832	4.4
207.11684	7.3
217.10236	1.0
219.08122	1.1
219.11713	9.2
220.08842	1.6
220.12428	5.1
221.09630	3.8
221.13300	4.0
229.10159	3.1
232.12419	1.3
233.09666	2.6
233.13260	3.2
234.10370	5.0
234.14011	15.4
235.11172	8.1
235.14870	3.9
244.12508	13.4
247.11189	14.0
248.11916	4.7
249.12756	1.8
249.16371	13.3
259.14798	9.3
262.13513	25.9
277.15869	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	277.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35458	0.5
91.05470	0.6
105.07013	0.9
107.08603	0.8
155.94928	0.6
169.10175	0.8
172.08784	0.7
179.08469	1.4
192.09373	0.8
193.10190	4.7
194.10843	0.6
197.09581	0.9
204.09402	0.8
205.10130	1.1
206.10895	3.6
207.11702	7.0
208.12360	0.8
209.09750	0.7
217.10187	2.5
218.10867	0.8
219.07909	0.7
219.11661	6.9
220.08992	1.0
220.12460	5.4
221.09604	2.8
221.13237	5.1
222.10454	1.0
229.10155	2.5
231.11688	0.9
233.09659	2.6
233.13205	1.5
234.10370	3.5
234.14034	11.4
235.11208	7.6
235.14815	5.1
236.11934	1.0
244.12473	7.6
247.11185	9.8
247.14787	1.2
248.11954	3.4
249.12683	1.2
249.16394	12.2
259.14838	6.4
262.13531	19.2
277.15863	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	277.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05495	2.8
56.75912	0.5
57.07063	0.6
64.31017	0.6
67.05499	5.4
69.03419	0.8
69.07069	4.7
75.34948	0.6
79.05495	9.3
81.07058	7.9
83.08617	0.8
85.06483	0.7
91.05473	3.8
92.17931	0.8
93.07034	13.1
95.04978	1.5
95.08577	4.8
97.06530	0.8
98.37887	0.6
105.07019	5.0
107.08595	10.5
109.10142	2.5
109.96818	0.7
110.35317	0.6
110.82952	0.7
111.08050	1.3
119.08542	5.2
121.06490	1.0
121.10158	8.6
125.09518	0.6
126.63566	0.6
128.06238	0.6
129.06956	3.7
131.08534	1.0
133.10078	3.3
135.07942	1.0
135.11694	7.1
137.05968	0.9
143.08543	1.1
145.10178	0.9
147.11642	2.3
149.13235	4.2
153.08206	0.7
155.08511	2.9
157.06448	0.9
157.10101	0.9
165.06993	0.7
169.10094	2.3
171.11664	2.4
179.08482	1.2
181.10086	3.8
192.09267	3.8
193.10144	5.0
194.10945	1.5
195.07993	0.9
195.11694	4.2
197.09541	0.7
203.08519	1.1
204.09303	2.3
205.10080	4.0
206.10852	3.7
207.11636	10.7
208.12582	0.7
209.09558	1.1
209.13142	0.7
216.09328	1.2
217.10085	2.7
218.10876	1.2
219.07985	1.3
219.11630	9.6
220.08923	1.9
220.12514	4.7
221.09630	4.9
221.13251	5.8
221.15208	0.9
222.10333	2.4
223.10988	1.0
229.10036	3.6
230.10898	0.8
231.11665	4.2
233.09563	3.8
233.13187	2.4
234.10403	6.1
234.13986	10.0
235.11172	9.2
235.14777	3.3
235.16917	0.9
241.19548	0.6
244.12518	5.1
247.11150	14.2
248.12027	5.2
249.12762	4.4
249.16367	10.9
259.11105	1.0
259.14731	7.5
262.09512	0.9
262.10461	0.9
262.13504	28.9
277.12262	15.6
277.15802	100.0
277.21524	17.7
288.93478	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	277.216
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
53.03959	1.9
55.05507	11.7
61.22653	2.3
63.23181	2.1
67.05502	25.3
67.06259	2.5
69.07059	11.9
69.94772	2.4
79.05499	69.3
81.07053	36.5
83.08611	4.9
91.05471	14.5
93.07043	95.5
95.04954	2.9
95.08589	22.6
97.10174	2.8
105.07027	11.5
107.08596	64.4
109.10151	13.7
119.08614	9.1
121.10136	56.3
122.32552	2.6
125.36965	2.4
133.10127	10.4
135.11674	53.0
142.36328	2.8
147.11682	5.3
149.13272	22.3
161.13281	4.1
163.14822	5.5
183.17253	2.4
196.53670	2.5
199.14877	3.3
207.13669	2.9
235.16875	4.3
255.15625	2.5
277.21588	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.24467	1.7
54.08210	2.1
55.05499	11.3
55.74972	1.6
66.46748	1.9
67.05509	33.0
69.07058	13.8
71.04980	2.7
71.08636	27.0
79.05499	50.5
81.03407	3.5
81.07053	41.8
83.08620	8.4
91.05476	20.8
93.07047	90.0
95.04953	8.6
95.08602	29.9
97.06523	2.9
97.10151	3.4
98.86733	2.1
99.08102	16.1
105.07008	18.1
107.04947	3.1
107.08611	47.9
109.06474	2.5
109.10130	13.1
119.08562	11.3
121.10136	37.4
133.10114	12.7
135.11694	59.4
147.11647	7.9
149.13232	13.6
151.11174	12.6
161.13237	10.1
163.11137	3.6
179.14378	27.0
199.14922	1.9
221.15326	3.9
259.20508	2.9
277.21616	100.0
294.50012	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.45297	1.2
55.05507	5.1
65.53394	1.0
67.05486	4.8
69.07069	12.2
72.01241	1.3
79.05479	5.7
81.07059	16.9
81.84005	1.0
83.08610	1.5
91.05446	1.4
93.07032	18.4
94.58011	1.4
95.08600	46.6
97.10167	8.3
102.52530	1.1
105.07011	7.8
106.42751	1.1
107.08585	12.2
107.12223	1.1
109.06497	1.3
109.10140	8.1
111.11709	10.0
119.08584	11.2
121.06481	17.2
121.10116	22.2
123.08025	6.1
123.11700	23.4
127.26472	1.2
131.08549	1.9
131.98170	1.1
133.10089	5.6
135.08063	2.2
135.11671	6.8
137.09557	4.7
139.91420	1.2
143.08559	1.8
145.10100	7.9
147.11699	7.7
149.09604	67.1
149.10822	2.2
149.13206	1.5
151.11192	11.9
157.10078	2.0
159.11630	6.8
161.09604	1.6
161.13193	2.4
163.11166	23.8
171.11626	4.9
173.13222	2.6
175.11116	1.5
177.12740	1.9
184.46260	1.2
185.13234	4.2
187.14824	1.2
189.12766	1.1
198.54253	1.1
199.14693	3.9
201.16383	1.5
203.14378	1.6
229.19489	5.8
231.20952	4.5
241.19453	12.9
247.16827	1.5
259.20554	36.9
277.21591	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	277.2163
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
50.07288	1.1
50.82147	1.6
55.05509	14.2
57.07071	1.7
66.26974	1.5
67.05508	26.6
69.07074	12.2
71.08678	1.5
79.05041	2.4
79.05494	59.2
81.07060	30.0
83.08596	6.7
91.05483	14.7
93.07043	100.0
95.05003	2.2
95.08604	26.8
97.10138	6.3
102.70152	1.4
105.07035	11.3
107.08590	52.7
109.10155	20.2
119.08554	12.0
121.06474	1.5
121.10148	46.3
123.11636	1.9
131.08582	2.0
133.10114	10.6
135.11696	57.3
139.45096	1.6
146.04826	1.4
147.11655	6.7
149.09674	1.4
149.13239	26.6
149.38345	1.3
149.89874	1.4
159.11613	5.3
161.13261	3.3
163.14720	2.9
171.11641	1.6
200.20383	1.4
221.15311	1.9
235.16846	1.6
241.19597	1.5
259.20538	2.8
277.15921	13.9
277.21616	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88207	3.3
53.65882	3.2
54.26812	3.5
55.05515	15.2
55.20265	3.1
57.07077	17.3
59.94400	3.2
61.24214	3.6
67.05504	17.1
69.07057	23.8
71.08660	3.9
79.05495	38.5
81.03408	7.5
81.07064	31.0
81.12178	3.4
83.08614	5.1
93.07041	48.9
95.04956	4.4
95.08588	29.1
105.07043	8.5
107.08602	26.3
109.06542	4.7
109.10154	9.2
109.10846	4.2
119.08572	15.8
121.10111	9.4
133.10114	7.8
135.11707	16.0
137.06000	34.4
137.09702	4.4
147.11664	14.7
149.02318	6.0
161.13341	6.5
178.09232	4.2
179.10669	9.1
185.13280	7.5
190.21335	3.8
207.11545	5.0
235.16913	100.0
239.63765	4.0
244.12427	5.6
259.14804	5.7
277.15329	47.7
277.18073	41.1
277.21637	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.82653	2.3
52.76360	2.5
53.03957	4.8
55.05508	17.4
56.92939	2.8
57.07076	13.7
67.05510	35.3
69.07072	30.3
71.08631	3.9
79.05493	35.4
81.03418	42.5
81.07059	44.0
83.04970	11.3
83.08615	12.3
91.05482	19.2
93.07034	51.3
95.04966	27.9
95.08618	20.9
96.20848	2.7
97.06519	3.0
105.07023	24.7
107.08607	23.3
109.06507	11.9
109.10149	13.2
119.08590	6.3
121.10130	6.3
125.09663	5.1
129.07027	5.0
133.10127	11.9
135.08069	4.9
135.11705	11.6
147.11700	16.7
149.13298	3.8
151.11176	23.0
161.13264	3.5
163.14964	2.9
165.12737	6.9
165.63989	3.1
167.54312	2.6
179.10626	10.7
179.14258	6.8
185.13177	3.4
205.78479	2.8
221.15320	3.5
235.16861	38.3
241.19662	3.6
259.20520	6.5
272.74518	2.8
277.18079	25.1
277.21625	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03955	1.0
55.01873	1.0
55.05524	9.9
57.03446	9.7
57.07074	1.8
58.32235	0.9
63.70715	0.9
67.05509	24.6
69.07067	16.3
69.82507	1.0
73.11943	1.1
79.05495	41.1
81.07064	32.5
83.04984	3.8
83.08617	10.7
85.06535	1.6
91.05495	12.9
92.16159	1.1
93.07041	72.6
95.04988	2.3
95.08601	26.2
97.06526	1.9
97.10157	5.3
105.07044	12.9
107.08596	47.1
109.06481	1.3
109.10154	10.6
111.08057	1.7
117.07016	1.5
119.08603	10.9
121.10137	46.6
123.08041	1.5
123.11675	1.3
129.07040	2.0
131.08562	6.4
133.10100	10.5
135.08002	2.0
135.11696	41.3
137.09615	2.1
143.08556	1.4
145.10117	6.4
145.20804	1.0
147.11702	8.2
149.09589	2.1
149.13254	22.3
157.10153	1.3
159.11681	6.7
161.13232	5.7
163.11176	1.8
163.14807	5.6
171.11665	2.5
173.13190	1.1
175.14757	1.9
181.10127	1.3
181.12189	1.3
185.13171	2.0
187.14787	4.4
193.10231	1.4
195.13849	1.2
205.15892	4.8
207.11725	4.7
219.11707	2.0
220.12483	1.3
221.13385	1.2
221.15337	1.8
221.19070	1.4
231.11890	1.5
234.14000	1.2
235.11224	1.8
235.16931	4.4
241.19466	4.1
244.12439	2.4
247.11143	5.7
248.12013	1.2
249.16325	2.0
259.14816	1.4
259.20551	5.9
262.13544	9.6
277.12268	7.2
277.15863	37.3
277.21613	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03917	1.3
53.37441	1.5
55.01831	1.9
55.05509	4.0
57.07070	2.3
61.43458	1.7
65.91080	1.7
66.94186	1.5
67.05171	1.9
67.05505	37.6
67.05834	3.4
68.25769	1.8
69.07065	7.0
71.08607	3.5
77.99651	1.9
79.05046	2.3
79.05490	34.4
81.07056	35.8
83.08617	9.3
91.05484	14.6
93.07040	56.9
95.04937	2.9
95.08594	26.3
97.06507	3.5
97.10207	2.0
105.07003	7.8
107.08585	33.6
109.06505	1.7
109.10118	8.5
113.58321	1.7
117.06898	2.5
119.08549	8.1
121.09288	3.6
121.10136	88.7
131.08519	3.9
132.08083	10.6
133.08406	12.5
133.10092	9.0
133.30005	1.8
135.11684	44.6
135.99783	1.9
145.10100	4.1
147.11775	2.8
149.13222	8.8
150.09108	7.6
151.09499	8.8
159.11642	4.2
161.13252	2.1
163.11130	2.5
165.12840	2.3
175.75716	1.9
178.08636	2.2
181.12253	3.9
195.13916	2.4
213.08040	2.0
221.39516	1.9
235.16922	9.2
236.17242	22.9
249.16676	15.4
259.14825	2.3
259.20447	3.1
262.13620	2.4
277.16046	26.6
277.21628	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	278.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63287	0.7
56.05028	4.4
70.06562	1.3
70.63865	0.8
79.07563	0.7
80.34314	0.6
99.14766	0.7
105.03379	0.8
113.07120	5.0
117.05735	1.8
120.04461	20.3
124.04681	0.9
126.24162	0.7
130.06575	1.1
132.04422	4.4
132.08095	7.1
133.05214	1.1
141.06589	46.1
150.05516	7.7
152.04156	1.2
158.05975	4.0
176.07056	13.8
205.74878	0.9
207.64177	0.7
209.94786	0.7
217.09752	1.5
232.10835	25.2
260.10281	78.5
278.11349	100.0
279.21799	0.7
280.02936	0.9
281.34067	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	278.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98761	1.2
69.07069	71.3
71.08626	10.4
72.08146	10.0
91.05474	100.0
97.06526	5.9
103.05421	2.4
106.06550	10.3
114.09167	48.3
116.21414	1.4
118.06561	7.3
119.04941	25.5
136.07529	15.1
147.04410	6.6
149.46431	1.6
165.05428	2.0
182.08121	38.8
232.13347	3.3
278.13840	11.7
278.16406	5.3
278.21014	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	278.2114
Annotation	Venlafaxine
Peak:m/z	Relative Intensity
69.07053	1.4
71.29935	0.2
83.04977	0.7
84.48647	0.3
91.05453	2.2
93.19005	0.3
95.08582	0.5
112.07540	0.4
114.09182	1.3
119.04918	0.4
122.06027	9.2
134.55528	0.3
137.07956	0.3
140.07066	31.4
151.43771	0.3
182.08127	0.5
182.11789	0.4
196.13248	1.1
208.13437	0.4
210.14978	0.3
222.14917	0.4
250.21568	0.3
260.20078	3.1
278.21140	100.0
278.56076	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	278.2111
Annotation	Stenine
Peak:m/z	Relative Intensity
55.05507	16.4
60.86260	1.9
67.05182	1.4
67.05505	30.5
68.00949	1.3
69.07060	15.7
70.11163	1.4
77.89842	1.5
78.15436	1.7
79.05485	22.1
81.07054	35.7
83.08616	33.6
87.27129	1.6
87.40871	1.7
89.10721	1.5
91.05473	16.4
92.29472	1.5
93.07032	28.6
95.08134	1.7
95.08614	33.7
97.06512	9.3
97.10158	19.4
99.08045	2.3
105.07018	3.6
107.08603	20.8
109.10152	15.7
110.06038	2.3
111.08085	15.6
112.37392	1.6
117.06981	1.5
119.08566	10.2
121.10142	39.5
123.11656	6.2
125.09606	2.2
131.08510	2.6
133.10098	19.4
135.11670	22.1
137.09579	2.3
139.11121	3.9
145.10129	7.2
147.11674	6.2
149.13245	8.3
159.11636	1.9
162.99783	1.6
173.13292	2.2
187.14726	2.2
194.15184	1.6
215.17876	19.6
233.18938	13.3
233.83005	1.6
251.20074	28.9
260.20065	19.2
278.16110	10.3
278.21109	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	278.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95615	0.6
56.05024	3.1
57.07068	0.9
58.06588	5.1
60.04515	1.2
60.28275	0.6
71.08619	2.7
74.06053	4.5
86.06051	4.6
88.07634	11.5
100.07633	1.0
104.07098	4.4
119.19828	0.8
132.10185	4.8
162.11298	2.1
166.10724	2.7
172.16916	0.7
186.18527	49.9
198.18442	1.1
218.00287	0.7
230.21117	15.0
260.22153	1.5
278.23248	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	278.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66883	0.6
56.03172	0.6
56.05024	3.0
57.07077	1.3
58.06602	7.8
60.04503	0.7
71.08621	1.8
71.48416	0.6
74.06055	4.7
82.19034	0.7
86.06042	4.2
88.07634	10.9
94.14721	0.6
98.20519	0.7
101.02865	0.7
104.07094	5.0
111.45111	0.7
118.08643	0.7
131.15453	0.6
132.10196	3.8
159.69983	0.8
162.11258	2.9
166.10718	4.0
172.17043	0.8
186.18530	56.8
230.21152	18.2
260.22079	2.4
278.09357	0.8
278.23257	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	279.0933
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
52.75319	0.3
60.65832	0.4
71.85363	0.4
79.72871	0.4
99.77210	0.4
109.22378	0.4
125.64248	0.3
149.02322	0.8
173.05083	0.4
181.10139	0.5
183.03648	0.4
190.36314	0.4
201.04619	19.8
201.12921	0.4
219.05682	33.5
221.13138	0.5
279.09311	100.0
279.17401	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	279.1075
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
53.03952	1.1
55.01849	0.8
57.03430	4.0
61.02931	9.8
69.03432	13.1
70.06586	6.1
71.04676	0.9
71.04995	13.3
73.02905	4.0
79.69058	0.8
80.41154	0.8
81.03423	6.5
85.02904	79.3
87.04472	1.5
87.82407	0.7
88.59415	0.8
91.03944	4.2
97.02888	17.2
98.97584	1.1
99.04451	89.2
103.60188	0.7
109.02888	6.6
110.25381	0.8
115.03931	1.1
116.98595	1.0
117.05486	100.0
127.03902	15.7
136.07629	0.7
143.17366	0.8
145.04951	17.5
149.02344	8.6
158.41336	0.7
163.06020	1.6
219.05748	0.9
279.13669	1.4
279.17474	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	279.134
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
58.13597	0.6
58.94011	0.5
63.82970	0.5
67.50488	0.5
68.51904	0.5
69.03419	0.8
71.05013	0.7
80.54493	0.5
81.03410	0.7
82.48218	0.5
111.40408	0.6
130.78874	0.6
132.08051	1.1
144.07997	0.6
146.05991	1.0
147.04491	0.8
149.02322	3.8
163.08624	0.7
188.07036	1.2
190.10924	1.0
205.13365	22.5
215.11769	0.9
233.12840	100.0
243.11269	2.4
261.12329	55.0
279.13376	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1452
Annotation	N-Benzoyl-D-arginine
Peak:m/z	Relative Intensity
50.79633	0.5
60.05653	1.0
70.06590	31.4
71.04998	3.3
72.08176	2.5
74.21861	0.6
81.53853	0.7
95.04973	1.7
97.07611	3.6
104.05006	1.2
105.03391	100.0
112.08716	9.9
113.07124	5.7
113.07781	0.8
114.10278	3.4
115.08663	3.3
116.07069	1.2
120.23174	0.8
122.06015	9.0
124.91527	0.7
130.09801	1.2
149.02356	3.3
159.07652	3.4
173.10751	3.6
174.09145	3.1
176.10681	8.0
192.12856	0.7
196.85390	0.7
201.10207	5.4
216.11292	1.5
219.11292	14.6
220.09676	26.6
220.11711	1.2
243.11320	1.3
261.12680	1.0
262.11880	14.8
267.42517	0.7
279.09467	3.2
279.14523	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81429	0.5
57.07082	19.3
62.74437	0.5
71.51524	0.5
74.02985	0.5
89.68999	0.5
94.55553	0.5
149.02335	100.0
237.12935	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	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.10031	0.5
62.89173	0.5
69.68096	0.5
74.17528	0.7
75.66180	0.6
86.09705	100.0
90.77823	0.6
120.08099	69.1
124.07600	0.6
132.10207	1.0
149.02335	2.8
166.08623	12.1
202.50711	0.6
208.90208	0.5
217.08577	0.9
224.42343	0.6
233.08162	0.9
233.16475	1.4
242.70470	0.6
251.88705	0.6
279.08984	1.0
279.17105	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	279.1702
Annotation	(2S,9R)-Dihydroxyaphyllidine
Peak:m/z	Relative Intensity
56.01394	0.7
84.04506	14.0
93.48572	0.4
105.07033	7.3
112.03954	8.6
117.07019	0.5
120.08099	0.8
130.04997	11.9
131.04924	2.5
134.09651	100.0
149.02324	2.3
170.74971	0.4
192.10312	0.9
279.09232	0.7
279.17017	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	279.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56732	1.3
57.07074	1.7
59.77358	1.1
77.10275	1.1
81.07062	1.4
82.03207	1.5
84.04507	13.6
89.37840	1.2
92.17780	2.5
96.82526	1.2
100.07629	2.5
103.40421	1.3
105.07020	8.4
112.03954	7.7
120.08103	10.1
130.05054	10.0
130.05849	1.5
131.04889	3.1
134.09654	100.0
139.03813	1.2
149.01294	1.8
149.02325	15.8
159.49728	1.3
178.03705	3.2
179.04501	2.2
192.10147	2.8
246.72101	1.5
279.09286	6.4
279.12262	8.7
279.17065	24.2
295.85645	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	279.1703
Annotation	(2S,9R)-Dihydroxyaphyllidine
Peak:m/z	Relative Intensity
55.05527	0.7
57.03448	0.7
73.08574	0.5
81.07056	0.6
91.05436	0.6
96.52215	0.5
97.40094	0.4
105.07027	0.6
105.85997	0.5
107.05032	0.5
116.20123	0.5
120.08073	0.6
133.10083	0.8
145.06453	1.0
147.04413	0.7
147.11705	0.8
149.02361	2.4
149.09618	1.1
174.11491	2.7
177.05394	0.8
181.10146	0.6
203.15456	14.2
205.08595	1.0
205.16939	1.2
217.16969	6.5
230.14171	3.1
231.14914	80.5
233.08006	0.8
243.17609	0.7
249.15979	39.8
261.15891	3.1
261.18381	1.3
279.08801	3.0
279.17032	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	279.1742
Annotation	Multicaulin
Peak:m/z	Relative Intensity
55.67742	0.8
61.43337	0.8
67.05502	0.8
69.07054	2.0
81.07053	1.8
91.05479	1.6
92.17905	2.1
95.08574	1.2
100.09959	0.9
105.07027	2.1
119.08570	2.0
121.10128	0.9
129.06956	1.0
131.08583	1.9
133.10133	1.3
143.08553	4.1
145.10159	1.5
153.07086	0.8
155.08446	2.8
157.10074	2.1
159.11667	1.6
163.64467	0.9
165.06984	1.6
166.07727	1.1
167.08498	3.8
169.10078	3.9
171.11588	1.2
180.09329	3.4
181.10104	32.9
183.11655	4.8
192.09366	1.7
193.10124	4.5
194.10843	3.5
195.11665	11.8
205.10088	1.3
206.10857	1.9
207.11664	8.6
208.12422	1.7
209.09583	4.1
209.13290	10.0
212.11607	1.2
219.11636	4.5
221.13185	8.3
222.14066	3.6
223.11162	5.1
223.14783	5.1
231.11694	5.6
233.13130	1.2
235.14882	4.5
236.11961	3.5
236.15564	4.4
237.12717	11.4
237.16443	4.4
246.14000	5.1
249.12721	5.0
249.16435	1.2
250.13438	1.7
251.14336	1.1
251.17970	10.3
261.16357	9.2
264.15128	6.2
279.17413	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	279.1743
Annotation	Multicaulin
Peak:m/z	Relative Intensity
57.07078	8.0
63.48385	0.6
67.05500	1.0
69.07037	0.9
72.57765	0.6
79.05524	0.8
81.07040	3.4
81.29508	0.7
82.78834	0.8
83.79332	0.7
85.06519	0.6
89.77682	0.7
91.05473	1.7
93.07014	3.1
95.08579	2.8
105.07012	3.2
107.08555	1.3
109.06512	0.7
111.08060	0.9
119.08579	7.1
121.10117	1.1
123.08075	1.1
131.08502	1.3
133.10092	2.8
135.08054	1.4
143.08536	4.3
145.10104	3.6
149.02341	90.8
156.09340	0.9
157.10106	3.5
159.08109	1.0
159.11670	0.9
167.08563	1.6
169.10156	6.5
170.10861	1.2
171.11633	4.9
173.09579	4.1
179.08522	1.5
181.10104	4.7
183.80154	0.8
185.09534	1.1
187.11115	1.4
195.08093	0.8
195.11681	8.9
199.11107	1.4
207.11798	1.2
209.09605	1.1
209.13306	5.3
212.21933	0.7
219.11664	3.1
221.09608	0.9
221.13277	3.0
222.10374	0.8
223.11218	7.4
223.14738	1.1
223.31415	0.8
231.11613	1.3
232.12437	1.0
235.14859	1.5
236.11929	4.2
236.15596	1.5
237.12755	7.0
237.16354	4.5
237.72462	0.8
246.13983	2.7
249.12805	3.5
249.26398	0.8
250.13312	0.7
251.17944	5.3
256.98700	0.7
261.16318	3.4
264.15128	7.3
265.42545	0.8
279.17413	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	279.1743
Annotation	Multicaulin
Peak:m/z	Relative Intensity
56.01783	0.6
64.77621	0.7
67.05492	1.4
69.03409	0.9
69.07067	1.5
79.05482	1.5
81.07019	3.5
91.05493	1.1
93.07047	5.3
95.08569	4.7
100.41585	0.7
105.07057	5.9
107.08578	1.8
109.06468	1.0
109.10147	1.4
117.06976	1.0
119.08572	11.1
119.29823	0.7
121.06476	1.3
121.10054	0.8
129.49818	0.7
131.08545	3.9
133.10107	4.0
135.08054	1.2
142.07741	0.7
143.08524	4.6
145.06444	1.5
145.10101	4.3
149.02371	5.7
155.08534	3.1
156.09322	1.4
157.10124	5.6
159.08018	3.4
159.11644	1.3
161.09583	1.3
165.06987	1.1
167.08580	1.8
169.10123	7.4
170.10818	1.1
171.11670	8.2
173.09598	3.1
179.08545	3.4
180.09311	1.7
181.10109	8.0
183.11732	1.1
185.09679	1.7
187.11142	1.7
193.10088	3.2
195.11678	14.5
197.09532	1.0
199.11124	0.9
203.84181	0.8
204.09201	0.9
207.11682	3.2
208.12456	1.7
209.09586	4.3
209.13258	9.3
211.11214	1.3
218.10910	1.3
219.11671	5.3
220.12477	1.3
221.09769	1.1
221.13277	4.5
222.10437	2.9
222.13925	4.3
223.11218	9.2
223.14728	1.8
224.11902	1.1
231.11627	1.6
233.13329	1.3
235.11143	1.6
235.14735	3.6
236.11951	3.9
236.15614	1.8
237.12724	13.1
237.16287	12.4
246.14064	5.7
249.12721	5.4
250.13629	1.2
251.14256	1.5
251.17892	10.4
254.32721	0.8
261.16296	6.4
264.15128	6.9
264.20636	0.7
279.09210	3.3
279.13907	8.2
279.17389	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	279.1743
Annotation	Asperenone
Peak:m/z	Relative Intensity
56.79021	0.9
60.46417	0.9
65.55418	0.9
67.05486	1.9
67.86272	1.0
69.07050	4.5
77.82038	1.0
79.05458	1.1
81.07054	2.5
83.08570	1.0
91.05453	1.5
95.08601	2.6
105.07026	1.8
107.08578	2.5
109.06487	1.2
119.08540	2.6
123.08041	1.4
128.06177	1.8
131.08569	1.7
133.10121	1.1
135.08018	1.8
143.08571	10.6
145.10089	1.7
155.08562	4.1
157.10139	2.4
159.08023	1.7
165.06926	1.1
167.08565	2.2
169.10083	4.8
170.69676	1.0
171.11650	1.4
173.09724	1.2
180.09384	1.6
181.10118	11.7
183.11633	5.5
187.11234	1.1
189.19704	1.0
193.10107	4.9
194.10884	1.6
195.08040	1.2
195.11674	11.9
205.10074	1.1
206.10928	4.4
207.11664	5.8
208.12453	4.4
209.09660	4.7
209.13187	11.2
211.11082	2.0
219.11650	3.9
220.12357	1.2
221.13292	9.1
222.14018	1.5
223.11188	6.7
223.14734	1.4
231.11697	4.9
233.12904	1.4
235.14844	4.1
236.12013	4.4
236.15546	1.8
237.12729	8.3
237.16388	5.1
246.14017	5.0
249.12804	3.9
251.17900	11.8
261.16397	9.6
264.15070	5.8
279.17410	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	279.174
Annotation	Multicaulin
Peak:m/z	Relative Intensity
57.07076	19.4
69.07064	1.4
80.13572	0.9
95.08595	1.7
143.08569	2.2
143.27606	1.1
145.10095	1.3
148.90999	0.9
149.02325	100.0
155.08495	1.2
157.10052	1.5
165.06989	1.1
167.08577	1.1
169.10193	3.2
179.08427	1.6
181.10136	5.7
193.10074	1.2
194.10815	1.2
195.11653	2.3
206.10857	1.3
207.11740	1.5
208.12608	1.1
209.09601	2.0
209.13287	6.9
219.11595	1.4
221.13281	2.1
223.11136	2.3
223.14803	1.4
231.11473	1.0
236.15488	1.6
237.12732	4.2
246.13901	1.4
248.99648	0.9
249.12784	1.8
251.17915	1.8
261.16336	4.3
264.15091	1.6
279.17398	41.2
279.20419	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	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
55.05521	9.9
55.12369	1.2
57.07057	1.3
65.03925	1.5
67.05509	90.3
69.07066	15.4
71.04976	2.3
74.52364	1.4
79.05492	17.1
81.07061	100.0
83.04955	6.2
83.08611	9.5
85.06521	1.6
89.06731	1.4
91.05466	7.6
93.07048	22.2
95.04952	2.4
95.08605	89.6
97.06526	2.9
97.10129	2.8
105.07021	8.3
107.08604	20.1
109.06525	1.8
109.10154	36.6
111.08103	1.8
117.06998	1.7
119.08566	7.7
121.10133	21.2
123.08052	2.0
123.11699	19.5
131.08554	10.2
131.64279	1.5
133.10104	8.9
135.08037	2.9
135.11710	15.9
137.05930	3.4
137.13219	12.3
138.06294	3.0
139.06526	2.6
139.11131	1.4
145.10077	6.5
147.11653	7.3
149.02350	13.3
149.09578	3.3
149.13278	8.1
151.14810	2.4
153.01927	1.8
159.11722	3.0
161.13213	2.7
163.11140	2.7
173.13263	7.2
177.12752	1.7
187.14870	3.1
195.11755	1.6
205.15883	1.6
209.15352	1.7
243.21111	2.1
261.22153	9.7
279.09451	5.2
279.13446	3.3
279.16052	6.8
279.17694	2.5
279.23172	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05517	5.3
57.41523	1.1
65.40700	1.3
67.05512	91.6
67.05875	2.9
69.07079	12.4
79.05488	6.7
81.07065	100.0
83.08627	7.3
91.05451	5.2
93.07044	12.1
95.08611	89.4
95.09221	3.1
100.15362	1.3
105.07036	2.2
107.08579	11.4
109.10169	35.2
111.48755	1.2
119.08519	2.1
121.10113	7.6
123.08007	1.7
123.11700	18.0
131.08583	3.0
133.10162	2.7
135.08092	1.7
135.11690	8.0
137.13274	11.3
145.10107	2.2
147.11691	2.9
149.02345	2.6
149.09618	1.8
149.13266	6.3
151.14827	6.1
159.11670	1.9
163.11143	1.9
163.14745	1.7
163.84319	1.5
173.13280	7.4
177.12654	1.8
187.14787	2.4
191.14429	1.6
195.13760	2.4
203.18393	1.4
209.15280	3.2
219.21046	1.6
243.21086	2.0
255.76457	1.4
279.23212	44.0
292.27771	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	279.232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51493	0.3
57.06821	0.4
57.07079	8.4
58.39582	0.3
63.49530	0.3
67.05506	2.1
69.07070	0.4
71.08626	0.7
79.23572	0.3
81.07069	2.3
83.08611	0.4
93.07033	0.4
95.03255	0.3
95.08616	1.7
96.11729	0.3
99.08081	0.5
107.08583	0.4
109.10146	0.7
112.27782	0.3
118.59689	0.3
119.08576	0.4
121.02870	0.6
136.94606	0.3
147.11650	0.4
149.02335	100.0
151.63522	0.3
165.12910	0.4
189.68221	0.3
205.08586	1.2
219.05617	0.3
279.09402	1.3
279.17517	0.5
279.23215	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03927	0.9
55.05500	6.2
57.07087	8.7
57.70699	1.0
67.05512	88.3
69.07069	7.3
79.05503	8.4
81.07066	100.0
83.08614	6.1
91.05455	1.3
93.07071	7.7
95.08609	79.1
97.10165	4.2
103.56513	1.0
105.06996	1.3
107.08603	8.1
109.10164	56.6
109.10909	2.1
119.08562	1.8
121.10134	6.6
123.11711	29.3
131.08565	4.3
133.10121	1.8
135.11690	5.3
137.13289	12.3
145.10118	1.2
149.02347	72.6
149.13268	1.5
151.14833	1.9
159.11690	1.8
161.13228	1.3
163.14879	1.5
173.13213	1.6
177.12753	1.5
183.92686	1.1
187.14893	2.0
197.38286	1.0
200.34140	1.1
201.16440	1.3
209.15358	2.1
223.16853	4.7
246.88031	1.2
261.22147	5.1
279.09296	5.5
279.23190	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.44825	1.0
55.05504	7.3
56.12699	0.9
57.07076	2.7
65.03952	1.7
66.55656	1.0
67.05505	90.7
69.07050	8.3
72.89960	1.1
78.97240	1.3
79.05484	8.7
81.07056	100.0
83.08614	5.6
85.06552	1.4
91.05474	2.1
93.07042	12.8
95.08601	87.3
97.10177	1.5
99.81686	1.0
101.24191	1.2
104.41763	1.0
105.07014	2.3
107.08587	7.9
109.10155	33.5
117.07072	1.2
119.08592	4.5
120.50454	1.1
121.10130	9.2
123.08052	1.4
123.11709	13.2
131.08554	7.2
133.10126	2.4
135.11671	7.8
137.13243	7.5
137.15944	1.2
145.10139	2.1
147.11691	5.4
149.02318	8.1
149.09642	1.3
149.13258	6.0
151.14819	2.6
157.10066	1.2
159.11720	2.3
161.13231	1.7
163.11166	1.6
173.13229	2.5
177.12711	1.5
181.10083	2.3
191.14244	1.5
195.11685	2.1
195.13690	1.3
209.13338	1.2
209.15295	2.0
223.16870	2.6
235.14917	1.2
237.12660	1.5
243.21109	1.5
261.22165	2.7
271.24689	1.3
279.09338	1.8
279.14157	2.1
279.17432	16.0
279.23160	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.61142	2.7
53.22397	2.6
53.89357	3.3
55.05502	17.1
57.33934	3.0
60.38426	3.1
61.38326	3.0
67.05505	77.7
69.07055	26.8
71.04972	3.7
79.05489	17.7
81.07059	89.6
82.71057	3.4
83.08598	15.6
85.06539	3.7
87.80267	3.5
91.05443	13.4
93.07041	26.7
94.21305	3.3
95.08601	88.2
97.10166	5.9
104.59017	3.4
105.07012	5.4
107.08582	23.4
109.10168	42.9
111.08039	3.6
111.81876	3.2
119.08556	6.8
121.10142	21.7
123.11713	18.6
131.08578	6.5
133.10138	4.4
135.11647	21.9
137.13293	5.1
147.11656	6.6
149.09697	4.2
149.13255	5.0
161.13257	6.7
243.21077	6.8
261.22171	25.2
279.23145	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.69281	1.2
51.88931	1.2
55.05514	3.5
57.07063	1.9
57.55859	1.6
57.66560	1.3
57.91352	1.3
62.54974	1.4
67.05511	73.3
67.87028	1.4
69.07064	2.9
78.80905	1.4
79.05487	7.3
81.07063	100.0
82.02740	1.5
83.08621	3.5
91.05460	2.7
93.07062	11.7
95.08610	84.3
97.10175	2.2
105.07066	3.2
107.08584	6.5
109.10152	27.3
119.08598	6.8
121.10136	7.9
123.11717	20.5
131.08566	6.1
133.10188	1.7
135.11646	2.1
137.13268	10.4
147.11679	2.3
149.02364	18.1
149.09634	2.3
149.13268	3.6
151.14845	3.6
159.11661	2.5
161.13292	2.2
161.62286	1.7
162.10159	1.4
163.14856	1.9
173.13339	2.0
177.12708	1.8
187.14920	2.0
207.08067	1.8
208.08783	1.5
209.15276	2.4
219.11685	3.1
222.10431	9.2
237.12767	48.0
261.22174	2.5
279.09354	3.6
279.13602	5.5
279.17566	6.5
279.23172	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	280.0816
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.06110	0.2
60.33593	0.2
68.85774	0.2
79.53103	0.2
80.05008	1.0
86.65517	0.3
89.73269	0.2
96.04520	0.3
106.02894	1.0
119.06322	0.3
123.97880	0.2
124.03944	100.0
125.41045	0.2
206.13821	0.3
216.13857	0.5
232.13536	0.3
234.13171	1.8
262.12439	0.4
275.23965	0.3
280.08148	9.6
280.13150	0.4
280.15869	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	280.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44123	0.3
59.37716	0.3
61.29493	0.3
71.87716	0.3
74.27866	0.3
80.05034	1.2
86.09711	0.5
106.02885	0.5
124.03950	100.0
156.30548	0.3
161.05997	0.4
177.56110	0.3
255.64302	0.3
280.08151	20.9
280.11420	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	280.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.3
57.03427	24.2
57.08402	4.9
66.61512	5.6
69.03410	32.7
71.05000	9.4
72.08147	26.4
73.02909	25.9
81.03407	34.3
85.02905	60.8
92.17881	12.0
97.02865	37.8
98.97594	7.2
99.04420	7.7
109.02886	21.5
119.01882	8.6
127.03907	31.8
129.02927	8.1
139.04176	7.8
144.03493	7.6
147.04005	9.5
155.02853	57.9
158.99622	7.8
160.04756	7.1
164.03316	11.7
183.04057	75.4
185.02922	9.1
187.04373	5.4
190.05774	30.6
192.04688	27.6
199.06256	54.0
208.06905	7.0
235.06505	11.6
253.07681	28.3
269.05304	8.2
277.07663	100.0
280.07932	44.4
295.08630	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	280.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.96565	0.8
57.03435	1.0
60.05620	1.5
69.03399	1.5
69.80014	0.9
70.06591	35.5
71.04974	6.0
72.08123	3.9
78.03462	1.9
85.02885	5.0
95.06075	3.7
97.02896	1.4
97.07647	1.2
98.06056	1.0
98.97561	4.9
104.96191	0.9
105.04533	1.2
106.02909	58.4
107.04951	1.4
112.08727	8.8
113.07105	3.5
114.10288	1.3
115.08653	1.7
116.07083	1.1
118.08631	2.3
123.05540	21.5
124.03909	3.9
135.05540	5.1
137.05942	2.1
147.04459	1.3
148.04974	1.6
149.03426	1.4
150.02592	1.2
158.99651	4.1
174.10289	6.9
175.08664	10.8
176.11679	1.1
177.10173	9.6
179.07104	1.2
202.04883	1.2
202.09756	9.4
217.10739	1.0
220.10835	14.6
221.09180	28.5
223.27238	1.0
238.99864	0.9
258.08432	0.9
263.11386	18.1
277.07672	1.8
280.14023	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	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37606	1.2
71.08634	48.2
82.52322	1.1
91.05481	100.0
95.67713	1.2
99.08094	27.2
103.05384	1.6
106.06580	10.6
106.79784	1.2
116.09941	2.2
116.10724	44.7
118.06525	5.5
119.04938	19.9
136.07574	8.5
147.04417	6.2
165.05435	2.1
182.08116	53.5
206.56989	1.3
234.14879	1.3
244.83403	1.2
263.29584	1.3
268.31860	1.3
280.15295	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	280.1542
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
50.35408	1.4
71.08263	2.0
71.08632	40.5
77.66713	1.8
91.05475	100.0
99.08085	31.0
101.71849	1.8
103.05459	1.8
104.96683	1.8
106.06535	10.6
108.65050	1.5
116.10720	50.4
118.06532	3.3
119.04306	1.5
119.04946	23.5
123.14294	1.7
136.07581	8.7
147.04420	8.0
165.05457	2.5
167.09627	1.7
171.27097	1.8
182.08118	49.6
209.55000	1.6
234.14839	3.3
236.85789	1.6
280.15515	5.4
294.86035	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	280.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73175	1.0
53.75560	1.1
71.08259	2.4
71.08627	48.5
75.75113	1.3
81.07076	1.9
91.05473	100.0
99.08083	35.8
106.06532	12.5
115.32511	1.7
116.10716	57.6
118.06513	5.8
119.04937	24.0
122.10470	1.5
136.07565	9.5
147.04407	6.8
165.05444	2.1
182.08115	65.5
234.15169	3.6
280.15414	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	280.1545
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
68.58604	1.1
71.08262	2.2
71.08634	46.4
76.72428	1.1
82.76511	1.1
91.05478	100.0
92.18451	1.3
94.70986	1.2
99.08086	27.7
103.05483	1.2
106.06578	10.3
107.42072	1.2
116.09953	1.9
116.10732	52.7
118.06528	5.7
119.04939	20.5
136.07603	11.5
147.04416	6.7
150.16948	1.1
165.05412	2.2
182.08112	56.7
194.49440	1.2
234.14847	5.0
262.21729	1.8
280.15396	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	280.1543
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
55.92605	1.1
59.38450	1.0
68.91246	0.9
71.08257	2.1
71.08629	46.1
74.06083	1.1
91.05480	100.0
99.08086	32.9
103.05459	1.5
106.06551	11.7
109.78056	1.1
116.10724	49.6
118.06547	5.8
119.04948	22.0
136.07602	9.7
138.75414	1.1
147.04387	7.2
165.05502	4.5
180.68849	1.3
182.08115	55.9
190.86140	1.2
205.67633	1.4
206.41486	1.3
234.14920	1.8
236.45451	1.2
280.15427	7.7
297.56689	1.2
303.45511	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	280.227
Annotation	Micropine
Peak:m/z	Relative Intensity
69.07037	2.0
73.07217	0.4
74.06047	2.6
79.21011	0.4
79.57664	0.4
79.90481	0.5
79.95045	0.4
81.07005	0.5
83.29992	0.5
85.97421	0.4
88.07589	1.9
95.08545	0.6
105.51268	0.5
110.09628	1.0
113.20146	0.5
119.58303	0.4
120.08102	0.6
124.06712	0.7
124.07579	17.2
133.10149	0.7
138.08124	0.9
138.09135	21.8
155.56523	0.4
189.16463	0.5
215.61736	0.4
254.59273	0.5
262.21634	100.0
280.22690	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2636
Annotation	linoleamide
Peak:m/z	Relative Intensity
52.41317	4.9
53.50562	4.1
55.05517	39.6
57.07075	25.9
64.99785	4.7
67.05499	54.9
67.09364	5.9
69.07071	59.1
71.08638	10.4
79.05502	6.7
81.07056	66.7
82.60313	4.8
83.08619	49.1
86.06051	5.2
91.05479	21.4
92.18024	10.4
93.07034	12.6
95.02280	5.2
95.08604	100.0
97.06527	7.2
97.10163	32.9
100.07625	9.4
107.08571	21.2
109.10159	48.1
111.08057	6.4
111.11742	11.9
114.09158	9.2
117.60697	5.0
119.08555	19.7
121.10120	21.8
123.11680	11.5
128.10643	6.8
133.10120	21.4
135.11687	9.4
137.09518	8.0
147.11627	11.0
149.02351	26.6
149.13235	9.5
150.02676	26.8
161.13199	8.3
163.14842	9.2
165.16463	7.3
182.08131	8.0
200.42642	5.3
245.22667	47.2
263.23645	70.9
280.26334	89.3
301.07324	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	281.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53365	1.0
52.57072	1.0
53.83864	0.8
56.96561	5.5
66.34886	1.1
68.65263	0.8
72.21182	1.0
74.38148	0.9
79.04385	1.1
84.59626	1.0
92.40846	1.0
96.70446	1.0
98.97580	100.0
100.99143	1.4
109.08687	0.9
109.47343	0.9
112.99114	1.5
116.98619	16.5
124.99145	9.3
131.00182	8.6
134.99600	1.0
143.00150	8.8
149.01219	7.1
155.00154	4.5
158.99658	25.5
161.01218	26.9
173.01216	4.6
177.00705	4.9
179.02271	24.2
191.02219	1.5
193.31821	1.3
197.03282	4.5
208.61331	1.0
221.03307	26.7
239.04366	47.8
257.05380	4.1
275.52560	1.0
281.05426	54.9
281.08554	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	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01505	0.4
70.02935	1.1
74.06068	1.0
81.07033	0.7
85.02908	0.6
87.32298	0.4
95.04982	0.5
101.06075	0.4
105.07056	0.4
107.04933	0.6
109.02846	0.8
109.10112	0.6
119.03537	1.0
119.08458	0.4
120.06560	4.7
120.08073	4.3
124.03955	0.7
125.04270	0.7
131.04951	0.6
136.06180	100.0
140.79938	0.5
145.10133	0.5
162.04089	52.1
164.07025	0.5
166.08658	0.9
171.11670	0.6
179.73759	0.4
189.10344	0.4
209.24585	0.4
212.95486	0.4
217.13318	2.2
235.10812	1.0
237.16338	0.6
245.12836	5.9
253.19470	0.7
263.13922	11.9
281.09933	16.2
281.15009	13.3
281.18976	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	281.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06078	1.2
76.07437	1.1
78.87137	1.0
81.04527	2.3
92.18484	2.2
101.72775	1.2
105.29566	1.2
119.03550	1.1
120.06583	7.9
122.07156	14.8
123.07924	46.1
136.06183	100.0
136.55475	1.3
154.76271	1.2
162.04092	52.1
165.07727	2.5
165.91512	1.2
182.62573	1.2
216.98099	1.6
281.10538	45.7
281.15283	4.6
281.18991	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	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07019	0.4
54.54001	0.3
55.04256	0.5
57.31184	0.4
62.71940	0.4
65.52473	0.4
80.04999	0.4
81.04539	7.4
82.05317	2.2
82.13728	0.4
82.63422	0.5
92.17912	0.7
122.07145	26.9
123.07928	100.0
136.06194	22.7
159.20496	0.5
162.04100	12.5
165.07707	7.3
172.78590	0.5
176.95766	0.6
202.05643	0.5
281.10648	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24625	0.3
54.03465	0.5
55.04257	0.3
58.26529	0.3
78.51362	0.3
81.04539	8.5
82.05320	2.3
95.04932	0.3
97.02896	0.5
110.07166	0.5
119.53111	0.3
122.07151	23.9
123.07928	100.0
136.06190	4.1
137.05975	0.4
155.60704	0.3
160.04248	1.3
162.04105	2.5
165.05472	0.5
165.07709	9.3
169.92546	0.3
205.09718	0.4
217.13339	0.7
227.11801	0.6
245.12892	1.6
263.10184	0.3
263.13806	2.8
281.10654	73.9
281.14828	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	281.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	1.4
55.05526	8.0
57.03443	14.9
61.02927	15.9
67.05499	4.2
69.03432	40.0
69.07056	4.1
71.04983	2.2
72.78875	0.9
73.02907	1.4
79.05482	4.0
81.03405	5.5
81.07052	6.3
83.04976	17.5
83.08621	1.7
85.02901	17.7
87.04446	1.4
90.49193	1.0
91.03941	6.0
91.05460	5.8
93.07040	4.7
95.08617	7.1
97.06491	1.2
99.04461	4.0
103.03936	1.3
105.07019	12.1
107.08590	82.9
109.06487	4.4
109.10127	2.4
109.93868	0.8
111.04427	10.1
111.08154	1.0
117.07005	1.0
119.08571	20.3
121.06505	1.4
121.10147	4.7
123.08073	1.7
129.05463	9.2
129.06973	1.6
131.08572	5.4
133.10141	10.2
135.08049	100.0
135.11603	1.2
137.07378	0.9
143.08588	8.3
145.06551	1.1
145.10112	9.4
147.06558	6.0
147.08008	2.1
147.11687	1.0
149.09608	2.0
151.11115	1.1
155.08548	5.8
156.09276	1.3
157.10147	9.3
159.08035	1.6
159.11679	6.5
161.09596	6.1
168.09334	1.1
169.10130	9.6
170.10757	1.0
171.11658	5.3
173.09705	2.1
173.13251	1.3
179.08598	1.6
180.09175	1.2
181.10100	2.3
182.11072	1.2
183.08133	1.2
183.11710	9.7
185.13264	2.1
187.11150	3.6
193.10092	4.5
195.11711	5.9
197.09607	1.9
197.13283	8.0
199.11273	1.6
206.10872	3.9
207.11716	6.4
209.09653	1.0
209.13316	5.0
210.10489	1.2
211.11166	5.1
211.14796	6.1
213.12903	1.3
213.16449	1.4
220.12454	1.5
221.13304	8.5
223.11223	1.6
223.14708	3.3
225.12700	6.6
225.16272	1.2
226.13446	1.2
234.14073	1.5
237.12671	1.4
237.16437	4.3
238.13428	1.4
239.14284	8.5
239.17909	1.7
248.15587	2.1
251.14265	1.5
253.15784	1.5
253.19429	4.1
263.17941	10.1
266.16614	4.4
281.15417	19.5
281.19000	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1497
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
54.73411	1.1
60.23436	1.5
64.62041	1.3
67.62426	1.3
68.63451	1.4
84.08130	1.8
84.84264	1.4
96.42036	1.6
98.97581	22.1
116.98627	7.5
131.00235	1.7
131.39102	1.5
134.06023	2.0
143.00237	1.8
152.07062	15.4
158.99646	5.8
161.01202	2.8
174.11566	2.2
175.12302	15.6
179.02248	7.3
189.13850	6.6
191.15417	16.6
205.13382	3.0
217.13354	23.1
219.14932	12.0
221.03316	6.5
232.12032	19.5
233.12801	9.9
235.14447	8.9
239.04411	10.1
245.12860	22.9
257.73709	1.8
263.13892	34.8
281.05179	12.0
281.11365	17.6
281.14978	100.0
293.87802	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	281.1497
Annotation	Val Tyr
Peak:m/z	Relative Intensity
53.03935	0.4
57.03428	1.4
69.03413	1.9
70.75248	0.4
71.04976	0.5
75.04433	0.5
80.07990	0.4
88.86285	0.3
92.18662	0.3
99.04462	1.1
119.72218	0.3
137.77727	0.4
147.09163	63.6
197.13205	0.6
225.12595	0.4
245.12709	0.4
263.14023	0.5
281.14941	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	281.1533
Annotation	CHEBI:70699
Peak:m/z	Relative Intensity
53.99472	1.0
55.05513	1.8
56.72850	1.1
57.07087	1.4
58.95464	1.0
61.18515	1.2
69.07051	2.8
71.08617	1.4
79.05489	1.3
81.03415	1.7
81.07056	6.3
83.05013	1.2
83.08602	1.8
91.05466	7.3
92.05794	2.5
92.17843	3.0
93.07053	5.7
95.08586	5.4
97.06593	1.7
105.03369	9.1
105.07029	9.3
107.08575	5.6
109.06533	2.5
109.10125	3.0
116.10738	1.4
117.07012	2.0
119.04960	1.8
119.08566	12.5
121.06529	1.5
121.10125	2.2
123.08080	1.4
123.11694	1.3
129.07034	2.0
131.08569	7.9
133.10121	9.7
141.06935	1.8
143.08560	9.9
145.10097	11.0
147.08005	1.6
149.09627	1.8
150.02605	1.3
155.08559	6.2
157.10095	11.4
159.08017	4.7
159.11728	6.4
161.09575	1.4
165.06932	1.4
167.08521	1.8
168.09299	2.1
169.10080	12.0
171.11679	8.9
173.09639	4.3
179.08572	2.7
181.10030	5.0
181.43503	1.4
183.11650	19.8
185.09550	1.7
185.13232	6.0
193.10133	11.6
194.10878	1.7
195.11703	7.0
197.09624	6.2
197.13284	10.8
199.11131	2.2
205.10228	2.4
206.10863	5.0
207.11668	11.4
209.09608	2.8
209.13255	8.0
211.11172	12.0
211.14816	6.9
213.12756	3.1
219.11731	1.4
220.12473	6.6
221.13274	9.7
223.11176	8.1
223.14864	7.2
224.11952	2.8
225.09169	1.5
225.12689	10.0
225.16374	2.3
235.14726	10.5
237.12697	5.9
237.16335	2.2
238.13499	6.2
239.10640	3.0
239.14291	14.6
239.17923	5.4
248.11926	2.8
248.15573	1.6
253.15945	12.5
253.19420	6.5
263.14261	11.8
263.17883	8.3
266.12973	7.9
281.15363	100.0
281.18982	78.7
289.50888	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	281.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10987	1.1
53.89848	1.1
55.05517	2.3
56.57924	1.1
57.75056	1.2
67.05516	2.0
70.65522	1.4
79.05505	5.7
80.02015	1.1
81.07049	5.3
83.04984	1.9
91.05475	3.0
93.07029	5.7
95.04967	2.2
100.97679	1.1
102.09650	1.3
105.07040	7.9
105.84066	1.2
109.06507	8.1
119.08567	4.9
128.06212	1.5
129.06987	5.2
131.08527	2.6
133.06490	5.0
141.06993	2.7
142.07867	1.5
143.08559	3.0
145.06474	4.7
145.10149	10.1
147.08037	6.1
155.08519	6.2
156.09357	1.6
157.10103	7.0
159.08076	2.3
161.09593	1.7
165.06918	9.5
167.08578	5.7
169.10135	12.2
171.07985	1.3
178.07724	6.6
179.08546	27.0
180.09341	8.6
181.10107	11.4
182.10876	2.0
183.08060	2.0
183.11719	5.6
191.08533	18.2
192.09340	17.3
193.10120	20.9
195.11624	9.9
196.12376	2.8
197.09575	9.7
197.13300	7.5
205.10118	7.7
206.10916	56.4
207.11417	1.3
210.10353	1.7
211.11234	3.0
211.14856	13.5
220.12529	1.9
221.13239	77.8
223.11198	5.2
224.11896	9.0
230.10889	1.4
230.59885	1.4
235.14816	2.1
237.12820	2.1
238.13412	2.3
239.14284	100.0
240.14732	2.4
245.13286	1.6
263.14386	6.5
281.15329	59.3
281.18579	11.5
303.69513	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	281.1535
Annotation	Sibiriquinone A
Peak:m/z	Relative Intensity
55.01851	0.9
58.20810	0.7
59.89954	0.7
61.00901	0.7
63.56028	0.8
67.05507	0.9
69.03448	1.5
69.07063	1.3
69.33797	0.7
79.05513	1.0
81.07079	1.8
92.42536	0.9
92.78720	0.8
93.07066	1.6
95.08601	2.1
105.07020	5.3
107.08586	5.3
109.06465	1.2
109.10167	0.9
117.06963	0.8
119.08560	5.2
121.06463	1.7
121.10165	2.1
123.56120	0.7
129.07007	0.8
131.08496	1.5
133.10106	3.5
135.08017	1.0
143.08588	3.8
145.06387	1.3
145.10110	4.7
147.08066	1.2
155.08586	1.6
157.10138	4.4
159.08046	3.2
161.09586	2.0
163.63510	1.0
167.08495	0.9
169.10083	5.7
171.11655	4.5
173.09612	1.4
175.07619	0.9
179.08508	3.2
180.09383	1.1
181.10092	1.7
183.08141	0.9
183.11667	5.7
185.09700	1.0
185.13264	0.9
193.10165	4.1
195.11684	5.8
197.09677	4.9
197.13249	3.5
199.11121	2.0
205.10150	1.1
206.11047	1.5
207.11716	5.8
209.09589	1.1
209.13339	4.5
210.10478	1.1
210.14064	1.2
211.11151	5.6
211.14772	3.7
220.12485	4.1
221.13261	6.2
222.14011	1.1
223.11180	4.6
223.14911	1.1
224.11987	1.9
225.09125	2.0
225.12773	5.1
225.16347	1.5
233.09610	1.9
235.14818	9.4
237.12730	1.6
237.16400	1.1
238.13463	4.8
239.10716	5.0
239.14264	7.5
245.13618	0.9
248.11919	4.1
251.14442	1.7
253.12233	1.0
253.15843	11.1
253.19592	0.9
263.14325	12.6
263.17825	1.3
266.12973	7.2
266.16608	2.0
281.15372	100.0
281.18948	23.7
287.34259	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	281.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.2
61.68853	0.8
67.05502	2.1
69.07048	2.0
79.05489	5.6
81.07048	6.6
83.04978	1.4
91.05478	6.4
93.07034	9.6
95.04940	5.0
95.08604	3.6
97.06524	1.0
98.66817	0.8
105.07019	10.3
107.08611	1.8
109.06514	13.3
119.08564	6.5
121.06498	3.2
123.08064	1.3
128.06232	1.3
129.07021	6.5
131.08580	5.0
133.06485	1.9
133.10097	1.9
141.06979	1.5
143.08531	8.7
145.06470	4.5
145.10123	10.1
147.08022	7.8
147.11604	1.1
155.08516	7.2
156.09375	1.8
157.10109	10.8
159.08051	4.6
161.09598	1.3
165.06938	7.7
166.07762	1.1
167.08546	5.6
168.50766	0.9
169.10086	17.9
170.57829	0.9
171.08022	0.9
171.11678	3.4
173.09621	1.0
175.11137	1.0
178.07779	11.3
179.08531	30.3
180.09299	6.5
181.10126	11.7
182.10857	3.6
183.08139	6.3
183.11722	6.2
185.09583	1.2
191.08510	18.4
192.09323	21.0
193.10115	23.3
194.10876	1.4
195.08046	1.0
195.11707	14.8
196.08844	1.0
196.12398	3.6
197.09636	12.4
197.13266	7.9
199.11137	1.3
204.95345	0.9
205.10112	10.7
206.10896	62.9
207.11609	2.0
209.09608	1.9
209.13263	5.2
209.91092	1.1
210.10350	4.1
211.11188	8.1
211.14783	14.0
219.11690	1.8
220.12428	5.4
221.13240	79.8
222.56784	1.1
223.11176	5.2
224.11888	8.0
225.12587	1.3
235.14687	1.2
237.12720	3.3
238.13519	4.7
239.14278	100.0
240.14578	2.0
253.15892	2.1
253.19278	1.2
263.14374	6.3
281.15338	75.3
281.18661	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	281.1536
Annotation	CHEBI:70699
Peak:m/z	Relative Intensity
53.58137	1.0
69.03429	1.3
79.05499	1.4
81.03423	1.2
81.07050	2.3
83.08636	1.3
91.05485	2.3
93.07046	2.1
95.04976	1.2
95.08588	1.6
105.03389	11.3
105.07037	5.8
107.08589	5.7
109.06578	1.2
119.04910	1.3
119.08586	4.0
121.06487	2.2
121.10124	1.9
131.08594	1.4
133.10133	1.9
135.08040	1.2
143.08528	1.7
145.06458	1.4
145.10136	2.1
155.08453	3.6
157.10133	5.8
159.08122	4.2
161.09590	1.9
164.08228	1.1
167.08559	2.2
169.10098	5.8
171.11688	2.0
173.09683	2.0
179.08507	4.3
180.09450	1.3
181.10106	1.8
183.08134	1.9
183.11655	6.7
185.09628	1.3
187.07527	2.2
192.09375	1.5
193.10132	6.9
195.11723	6.5
196.08781	1.3
196.12469	1.8
197.09610	5.0
197.13261	4.4
205.10156	2.5
206.10944	3.7
207.11719	5.1
208.12509	1.3
209.09715	2.5
209.13136	3.7
211.11171	9.0
211.14694	2.2
213.12698	1.6
220.12466	7.2
221.13234	7.7
223.11147	5.6
224.11946	2.5
225.08966	1.7
225.12773	2.2
225.16296	2.0
233.09526	1.8
235.14857	12.8
237.12775	7.9
237.16341	1.3
238.13574	7.1
239.10707	5.9
239.14305	8.0
245.10818	1.4
245.13206	2.4
248.11884	4.6
251.10645	1.8
252.11501	1.7
253.15775	10.4
262.53079	1.3
263.14301	14.5
263.16870	1.3
263.18164	1.4
266.13022	6.6
281.15375	100.0
281.18939	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1536
Annotation	Sibiriquinone A
Peak:m/z	Relative Intensity
57.07350	0.8
63.00179	0.9
65.49389	0.8
69.03423	1.2
69.07039	1.1
73.12775	0.8
75.98501	0.9
80.14966	0.9
81.07018	1.2
83.08634	1.3
85.45676	0.8
91.05462	1.8
93.07034	1.9
95.08598	1.5
97.06512	1.2
101.72150	0.9
105.03386	6.7
105.07017	5.3
107.08569	4.4
109.06470	1.1
119.08548	7.2
121.06472	1.0
121.10143	1.0
128.23657	1.0
131.08589	0.9
133.06535	3.2
133.10107	7.1
135.08008	3.8
143.08562	5.1
145.10117	5.6
147.08031	1.5
155.08525	4.0
157.10129	4.3
159.08009	4.8
159.11726	1.2
161.05981	1.7
161.09573	1.5
166.07753	1.4
169.10120	4.9
171.07994	1.5
171.11659	4.9
173.09572	1.9
179.08586	1.9
181.10086	2.1
182.10954	1.2
183.11723	8.2
185.09604	2.1
193.10182	5.2
195.07942	1.4
195.11678	5.2
197.09656	3.4
197.13223	4.2
199.11111	1.6
205.10181	1.7
206.10968	3.6
207.11688	4.2
209.09583	1.8
209.13272	3.8
210.10330	1.8
211.11145	7.5
211.14778	1.4
220.12482	7.1
221.13158	7.8
223.11169	4.5
223.14633	1.7
224.11954	2.1
225.09109	3.6
225.12718	5.9
233.09569	1.3
235.14740	9.8
237.12764	6.3
237.16402	1.6
238.13506	3.7
239.10664	5.0
239.14238	8.1
240.10243	1.3
245.13293	1.5
248.11795	6.4
251.10622	3.7
251.14261	1.7
252.11391	0.9
253.15814	9.3
253.19507	1.9
263.14313	11.9
263.17902	3.5
266.13016	6.3
281.11911	5.1
281.15338	100.0
281.18939	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	281.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62001	3.3
71.08633	64.2
72.08963	17.6
86.52421	3.6
91.05481	100.0
91.99104	3.5
92.05811	77.7
99.08081	36.0
100.08415	13.9
105.94094	3.6
106.06548	6.3
116.10739	54.5
117.10366	3.8
117.11065	32.0
118.06447	3.7
119.04922	19.4
119.08588	4.4
120.05283	21.3
134.93959	3.7
136.07532	4.6
137.07881	5.3
148.04784	4.8
182.08113	48.4
183.08478	72.1
220.52937	3.4
221.13246	8.4
235.15077	8.6
239.10547	4.2
239.14317	4.7
241.28349	3.6
281.15421	57.5
281.18970	19.8
299.21423	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	281.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	4.4
55.92612	4.2
57.07086	40.7
63.04481	10.3
69.03432	7.1
72.44502	5.7
79.05492	6.6
81.03423	8.4
81.07048	10.3
83.04972	5.5
83.08582	5.2
85.02889	26.6
91.05467	57.5
93.07010	10.2
95.04954	5.5
95.08617	8.5
105.07029	7.1
107.08590	10.2
119.08588	29.0
119.10680	29.2
121.10139	25.7
127.03926	8.3
133.06528	6.2
133.10155	7.8
137.05971	6.8
145.10036	6.7
157.10124	6.9
169.10091	10.0
183.11691	7.9
185.13330	7.1
190.65987	5.0
193.10046	6.3
197.13261	7.8
209.13364	4.8
211.04269	5.3
221.02550	8.4
221.13181	8.2
223.14700	6.9
233.06277	9.3
249.05719	79.4
251.07289	66.7
253.12343	6.2
253.19545	7.3
265.05225	5.5
267.06821	11.1
281.08334	65.5
281.11737	20.0
281.15408	25.1
281.18967	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.93041	3.7
54.28832	3.1
55.01870	3.8
55.05517	33.8
57.03429	19.9
67.05506	78.6
69.00291	4.0
69.07051	16.8
79.05491	100.0
81.03398	17.0
81.07055	63.2
83.04988	40.8
83.08599	5.6
91.05471	65.3
93.07040	77.5
95.04963	34.1
95.08611	53.5
95.13207	3.5
97.10192	6.4
100.28736	3.7
105.07030	62.9
107.04998	5.0
107.08582	22.9
109.06479	3.9
109.10156	19.1
117.07030	8.4
119.08566	44.2
121.10142	5.8
123.08091	5.5
124.34350	3.7
125.57465	4.0
129.06984	17.2
131.08598	5.5
133.10130	18.3
143.08560	9.1
145.10132	9.3
147.11674	47.6
161.09563	5.5
161.13266	15.2
169.10063	4.3
171.11697	29.4
189.12791	4.4
195.11678	4.3
197.09534	4.5
207.13730	8.8
221.13171	5.4
263.17834	5.1
281.17130	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95299	3.9
55.05531	30.6
57.03440	29.0
57.07070	3.9
62.24669	4.0
67.05501	76.2
69.07049	24.6
79.05495	100.0
81.03429	7.6
81.07058	69.7
83.04985	37.7
83.08620	9.0
91.05476	65.6
93.07041	95.8
95.04960	34.4
95.08606	46.7
97.06534	6.4
105.07030	53.1
107.04937	6.5
107.08586	21.6
109.06512	7.2
109.10154	9.3
115.96371	3.9
117.07013	18.4
119.08568	58.8
121.06503	4.1
121.10141	9.2
123.08022	6.7
129.07013	27.5
131.08594	12.5
131.63976	4.0
133.10120	30.3
135.11725	6.6
143.08553	24.6
145.10117	29.3
147.08031	7.9
147.11676	51.6
155.08572	15.6
157.10097	4.5
159.11554	3.6
161.09607	8.4
161.13269	14.7
169.10048	15.4
171.11664	42.9
179.08562	6.3
182.10870	5.5
183.11696	15.8
189.12772	16.2
193.10106	4.7
195.11678	8.3
197.09590	5.4
197.13219	10.3
198.29350	3.5
207.11693	7.1
207.13724	14.8
211.11215	5.6
211.14790	3.9
221.13277	16.9
225.12790	6.9
235.14951	4.5
239.14301	14.3
247.45772	3.7
281.18854	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.05511	22.0
57.03438	32.3
64.92354	4.0
65.42187	4.0
67.05509	80.2
67.25587	4.1
69.07074	8.1
70.29689	3.8
71.05012	4.1
77.10880	4.4
79.05492	100.0
81.03422	5.8
81.07064	69.2
81.59593	4.5
83.04981	36.7
83.08597	8.2
91.05475	68.9
93.07036	71.4
95.04984	30.3
95.08604	49.2
97.02889	4.0
97.06500	6.0
105.07014	42.5
107.08582	19.8
109.06522	8.3
109.10123	8.8
112.78378	3.9
117.07016	10.4
119.08565	64.2
119.75178	4.1
121.06540	5.3
123.08096	4.8
129.07007	20.7
131.08582	7.1
132.51959	4.2
133.10110	30.5
143.08507	13.7
145.10103	17.3
147.11670	46.0
157.10030	4.2
161.09660	7.8
161.13252	17.2
171.11620	33.9
171.74820	4.4
177.99522	3.8
189.12811	7.8
191.66989	4.4
197.13428	5.1
207.13824	10.3
281.17554	31.6
281.18927	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
54.25328	3.4
54.66627	3.0
55.05531	24.4
55.05745	3.2
57.03444	37.2
58.27436	3.6
65.01864	3.5
67.05508	64.8
69.07056	15.0
71.63079	2.9
72.30984	3.0
72.54707	3.0
74.62649	3.0
79.05491	100.0
81.03418	8.5
81.07063	61.2
83.04989	32.0
83.08600	4.1
84.77142	3.0
91.05479	63.2
93.07043	57.0
95.04980	34.2
95.08602	45.9
97.06572	3.5
97.10163	3.6
103.41006	3.2
105.07025	42.9
107.04948	5.6
107.08582	26.2
109.06538	7.9
109.10146	8.2
117.06970	6.5
119.08591	39.8
121.10176	4.4
123.08025	5.5
126.06387	4.1
129.07001	18.4
131.08542	3.7
133.10097	17.4
135.59618	4.0
142.40878	3.1
143.08585	7.3
145.10150	17.8
147.11720	36.7
155.08626	3.4
161.13243	4.8
171.11636	33.2
183.11705	4.7
189.12769	5.4
206.10928	7.8
207.11830	4.6
207.13785	12.7
221.13255	17.8
223.14659	4.7
239.14293	6.3
281.17709	46.8
281.18829	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05530	22.4
57.03433	18.1
67.05502	60.1
69.07059	17.7
79.05494	72.5
81.03419	7.4
81.07062	60.8
83.04982	31.5
83.08624	4.2
85.06537	3.3
91.05484	57.0
93.07040	54.8
95.04966	20.9
95.08608	36.1
97.06519	4.2
105.07045	40.7
107.04961	5.8
107.08591	20.8
109.06497	4.4
109.10150	11.7
111.08018	4.2
117.07045	3.9
119.08568	58.0
121.10123	5.6
123.08039	4.5
129.06989	13.2
131.08603	4.8
133.10141	20.1
135.08083	4.3
143.08549	17.0
145.10126	14.5
147.08096	4.6
147.11679	28.5
155.08580	3.2
157.10097	7.6
159.11674	3.7
161.09673	12.2
161.13245	12.7
169.10110	6.1
171.11708	29.5
181.10039	3.4
183.11688	12.0
183.44568	3.5
189.12746	12.6
193.10094	11.6
195.11684	5.7
197.13243	6.2
207.11876	3.7
207.13795	13.1
211.11150	7.4
221.13327	7.0
225.12737	5.0
235.14754	3.7
237.13014	3.4
239.14273	6.5
239.18016	3.4
248.15778	3.7
263.17926	5.8
281.15079	12.2
281.18854	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.3
55.01864	3.3
55.05524	27.0
57.03447	32.5
62.34278	3.8
67.05159	5.3
67.05506	85.8
69.07050	16.6
74.76991	3.6
76.36301	3.8
79.05498	100.0
79.72456	3.3
81.03400	18.4
81.07062	69.4
83.04979	41.4
83.08608	14.8
91.05466	73.8
93.07040	95.3
93.07599	7.0
95.04961	32.8
95.08599	52.6
97.06516	4.1
99.43986	3.9
105.07030	61.1
107.04933	5.6
107.08579	26.4
109.06519	8.3
109.10164	7.5
117.07017	7.1
119.08556	42.5
121.10082	5.9
123.08046	9.2
129.06970	17.7
133.10136	20.9
143.08575	8.3
145.10130	15.1
146.18898	4.3
147.11700	57.5
161.13272	15.1
171.11638	42.7
185.72406	3.6
189.12703	8.7
207.13828	24.6
211.11057	5.6
239.14270	4.4
253.19672	3.9
281.17154	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
53.80306	0.9
55.05523	2.1
57.55164	0.9
67.05490	2.3
69.03433	1.4
69.07059	2.5
78.90871	1.0
79.05495	2.0
81.07050	5.4
83.05011	1.6
83.08633	1.1
91.05460	5.0
93.07029	2.7
95.04971	2.3
95.08608	7.2
97.06527	4.3
98.61914	1.2
105.07034	8.6
107.08570	7.3
109.06485	4.1
109.10141	2.7
119.08570	19.6
121.06527	1.2
121.10127	4.7
122.59141	1.0
123.08060	1.6
129.07028	2.1
131.08591	7.8
133.10123	6.6
135.08046	2.0
141.06972	6.5
142.07848	1.1
142.55026	1.1
143.08528	10.7
145.06483	1.3
145.10149	8.0
147.11699	2.2
151.95856	1.1
155.08572	9.1
156.09305	2.0
157.10138	11.4
159.08025	1.7
159.11662	5.3
161.09653	1.3
165.07028	2.0
167.08499	1.2
169.10120	17.8
171.07973	1.9
171.11633	8.4
173.09569	1.8
173.13312	1.6
179.08591	2.7
180.09303	1.2
181.10075	9.9
182.10910	6.2
183.11687	20.2
185.09566	1.4
185.13246	2.6
187.11186	1.6
192.09361	4.4
193.10118	5.5
194.10905	2.2
195.08119	1.0
195.11676	11.4
196.12505	1.4
197.09579	4.5
197.13264	14.7
199.11121	1.6
206.10895	4.9
207.11674	9.1
208.12421	1.6
209.13179	7.6
210.14027	1.8
211.11192	8.8
211.14818	6.9
219.11615	2.4
220.12486	6.6
221.13237	14.2
223.11124	4.6
223.14821	4.5
224.11972	1.5
225.12756	11.8
225.16324	2.6
235.14810	6.9
237.16452	5.7
238.13539	6.9
239.10521	1.9
239.14322	10.4
239.17966	2.1
248.15752	1.7
253.12851	1.2
253.15829	7.1
253.19521	12.6
263.14371	2.7
263.17935	12.6
266.16672	1.2
281.12097	2.2
281.15396	39.5
281.18994	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	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05506	8.0
57.07063	7.6
58.24320	1.9
60.51253	1.9
67.05154	2.2
67.05496	8.9
69.07061	13.8
69.18713	1.6
71.08624	3.9
79.05472	3.0
79.49052	2.3
81.03403	1.9
81.07050	15.9
83.08596	10.4
85.06543	1.8
85.10178	1.8
91.05476	7.1
93.07030	8.5
95.04952	2.5
95.08592	15.6
97.06570	2.2
97.10155	4.5
105.07019	8.7
107.08584	8.8
109.10134	9.5
113.10817	1.7
119.08555	18.7
121.10143	2.1
129.06987	2.6
131.08560	4.0
133.10114	7.7
135.08012	2.6
135.11691	2.2
137.09674	2.1
143.08556	10.9
145.10144	8.0
147.11671	3.5
149.09595	2.5
155.08568	10.3
157.10135	11.2
159.11652	2.7
161.09590	2.6
169.10103	16.7
171.11667	7.8
173.09544	3.7
175.11140	2.9
179.08539	1.9
181.10115	3.6
183.11684	21.7
185.13339	2.6
187.11211	2.5
193.10207	2.5
195.11612	7.4
195.69885	2.1
197.09563	3.9
197.13336	6.0
206.11002	2.5
207.11607	4.0
209.13280	4.3
211.11169	4.5
211.14735	10.5
220.12555	2.2
221.13228	10.3
223.11093	2.2
223.14757	3.7
225.12733	7.6
237.12733	2.2
237.16295	3.6
239.14281	9.8
239.17905	2.4
248.15691	1.9
253.19499	6.9
263.17953	9.7
281.15421	10.2
281.18979	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	281.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53583	1.0
59.45081	1.3
61.93352	1.3
64.64399	1.1
67.05505	1.3
69.07062	2.0
72.21442	1.2
79.05493	2.1
81.07045	6.5
88.66048	1.2
91.05488	5.7
92.17840	1.6
93.07019	2.8
94.56023	1.3
95.04955	1.6
95.08581	6.4
105.07059	12.3
107.08546	6.0
109.10154	6.5
117.07012	2.3
119.08561	10.4
121.10124	7.4
123.08086	2.2
123.11700	3.0
129.06978	2.2
131.08537	7.7
133.10153	9.1
135.08046	3.0
142.07805	1.6
143.08537	10.7
145.06384	2.0
145.10086	10.2
147.07961	1.5
147.11693	2.4
149.09598	1.9
151.11122	6.9
155.08557	7.5
157.10121	8.8
159.08067	2.7
159.11638	7.1
161.09601	2.1
167.08635	2.4
169.10135	9.5
171.11702	6.2
173.09615	2.7
179.08502	2.1
181.10095	2.8
183.11685	6.4
187.11305	1.7
193.10123	3.0
195.11682	5.5
197.09634	2.8
197.13239	12.5
199.11169	2.5
201.12717	1.6
207.11632	5.5
209.13286	5.7
210.10402	1.4
211.11180	8.0
211.14767	5.2
221.13243	6.1
223.14775	2.3
225.12680	9.5
225.16277	2.2
225.99323	1.2
237.16429	2.4
239.14230	7.6
251.14375	1.6
253.19585	10.0
263.17972	7.4
266.16599	1.8
281.18985	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	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
50.01260	1.4
50.17903	1.3
52.68558	1.2
54.12822	1.2
55.05500	2.3
55.98330	1.3
57.62408	1.5
59.05014	1.5
67.05493	2.6
69.07058	8.5
69.07973	1.4
80.98962	1.6
81.07030	2.7
83.04958	2.6
83.08602	7.2
91.05461	3.2
92.18501	4.3
93.07013	2.5
95.04942	2.0
95.08587	3.9
97.06515	3.5
105.07006	9.5
107.08570	7.4
109.06495	6.8
109.10137	9.3
116.12227	1.7
117.07020	2.3
119.08582	18.3
123.08041	2.3
123.11649	2.1
125.09628	2.9
125.95721	1.6
129.07010	3.4
131.08553	3.9
133.10091	8.0
137.09575	3.0
141.06970	2.6
143.08562	14.5
145.10130	11.5
147.11627	2.0
154.46202	1.7
155.08540	13.3
156.09340	2.5
157.10098	18.6
159.11629	2.7
161.09560	3.7
168.09300	3.9
169.10107	24.5
171.11656	9.0
173.09605	3.2
175.11156	1.7
181.10094	3.3
183.11676	44.5
185.13225	2.8
193.10065	3.5
194.10907	1.9
195.11679	9.4
197.09573	2.3
197.13194	10.9
206.10866	3.2
207.11601	3.9
208.12373	2.1
208.60435	1.5
209.13284	11.5
210.14075	2.2
211.11176	7.9
211.14809	7.4
219.11693	2.3
220.12564	2.6
221.13326	13.2
223.14830	7.3
225.12724	7.9
225.16225	2.2
233.13208	2.9
237.16338	9.5
239.14467	2.1
239.17818	5.9
248.15732	3.9
253.19426	7.4
263.17978	16.5
281.18961	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	281.19
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67445	1.0
55.05491	1.1
67.05493	1.3
69.07066	2.5
69.54886	1.0
79.05487	1.9
81.07042	7.3
83.08607	4.4
91.05461	2.1
92.18504	2.1
93.07056	1.7
95.08589	7.3
101.30040	1.3
105.07044	7.6
107.08597	2.5
109.10174	2.0
116.10629	1.2
117.06926	1.3
118.56910	1.2
119.08583	14.6
121.10122	1.5
122.19094	1.3
129.07021	1.2
131.08539	2.6
133.10124	9.6
135.08011	1.8
135.11714	1.3
141.06958	2.6
142.07724	2.4
143.08559	6.7
145.10118	13.6
147.11693	1.2
155.08539	9.5
156.09315	1.1
157.10100	8.5
159.11729	6.3
161.09558	1.8
168.09357	2.7
169.10136	17.5
171.11739	11.8
173.09622	5.1
173.13339	1.2
175.11166	1.9
179.08405	1.5
181.10098	4.2
181.33659	1.2
182.10909	1.5
183.11687	25.4
185.13260	2.7
187.11111	1.6
193.10117	2.4
195.11711	5.9
197.09636	2.2
197.13283	10.0
199.11261	2.4
207.11708	6.4
208.12547	1.4
209.13287	5.1
210.14058	1.3
211.11192	5.3
211.14836	4.8
213.12704	2.1
219.11749	1.2
221.13210	6.9
223.14766	11.3
225.12720	6.5
225.64259	1.1
237.16243	3.6
239.14227	5.4
239.17867	2.0
248.15720	2.3
253.15544	1.4
253.19481	5.3
263.17908	11.9
281.19000	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	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05508	2.0
59.05009	1.1
61.18573	1.1
67.05476	1.8
69.03409	1.3
69.07055	8.5
71.75578	1.6
72.90191	1.1
75.98077	1.4
78.51521	1.0
79.05507	1.6
79.19176	1.4
83.08613	6.7
91.05454	2.1
93.07043	1.8
95.04966	2.7
95.08591	6.5
97.06514	7.8
105.07018	6.5
107.08583	6.6
109.06485	5.1
109.10133	7.0
117.07018	2.2
119.08557	18.0
121.10139	1.9
123.08072	5.3
125.09602	2.8
129.07033	1.3
131.08499	4.5
133.10095	7.1
137.09616	2.3
140.25441	1.2
141.06976	2.4
142.07851	1.7
143.08563	7.3
145.10106	13.0
155.08612	11.2
157.10091	17.3
159.08060	1.7
159.11667	5.0
161.09656	2.3
168.09312	2.5
169.10138	20.8
171.11655	12.4
181.10130	5.9
183.08052	1.5
183.11697	34.2
185.09608	2.2
185.13292	4.8
193.10106	5.2
195.11697	4.9
197.09637	2.4
197.13177	6.9
207.11717	10.8
209.13240	5.4
211.11145	6.9
211.14809	4.9
221.13232	7.6
223.14807	2.4
225.12703	7.2
225.16386	1.6
237.16301	5.4
238.13533	3.1
239.14288	6.4
239.17882	2.4
251.14452	1.5
253.19489	6.4
263.17926	12.9
266.16656	1.6
280.91309	1.4
281.18988	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	281.1901
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05512	1.2
60.71418	1.1
67.05502	1.9
70.22338	1.0
81.07045	6.0
91.05470	1.9
93.07019	5.0
95.04932	1.1
95.08601	8.5
105.07050	4.0
107.08585	4.4
109.06509	1.8
109.10140	1.4
117.06991	1.6
119.08565	7.4
121.10102	1.9
129.06972	1.4
131.08568	5.6
133.10098	4.9
135.08037	4.8
143.08565	1.9
145.10115	10.3
147.41852	1.1
149.09590	5.1
155.08527	2.4
157.10091	5.1
159.11682	6.1
159.79369	1.1
161.08252	1.0
161.09622	2.1
169.10086	5.5
171.11676	5.5
173.09578	1.9
173.13264	1.5
181.10133	1.8
183.11679	7.1
185.13226	1.1
187.11215	2.3
193.10091	1.7
195.11609	2.4
197.09720	1.5
197.13225	7.9
199.11206	2.0
206.10899	1.2
207.11690	4.4
209.13274	2.0
210.10376	1.1
211.11208	2.1
211.14827	5.9
213.12723	2.0
221.13176	5.9
223.14699	3.5
225.12672	7.4
237.16364	5.6
239.14268	6.3
239.17934	1.7
248.15414	1.7
251.14311	5.1
253.19540	8.6
263.17969	8.8
266.16641	9.9
281.18994	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	281.19
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05511	1.0
57.07061	1.1
58.71541	1.0
59.04989	2.4
66.69121	1.1
67.05506	1.6
69.07047	5.1
71.04977	1.6
71.36289	0.9
81.07069	2.3
83.08598	4.7
84.09634	1.1
91.05475	1.1
93.07031	2.8
95.04960	2.5
95.08577	2.9
95.63853	1.3
97.06525	1.5
97.68945	1.1
105.07047	9.5
107.08616	8.6
109.06521	9.0
109.10157	7.4
111.08056	1.4
119.08581	12.0
121.10126	2.9
123.08041	2.6
123.11687	7.6
125.09613	2.5
129.07005	2.8
131.08545	7.7
133.10106	7.9
137.09598	2.7
141.07008	2.0
142.07761	4.3
143.08559	13.1
145.10150	13.4
147.08060	2.2
151.11177	2.6
155.08522	10.7
157.10133	24.3
159.08067	2.7
159.11726	1.4
161.09561	5.3
167.08571	2.4
169.10118	20.2
171.11676	7.4
173.09573	8.3
175.11308	2.0
179.08481	1.9
180.09331	1.6
181.10031	4.4
182.10968	1.5
183.11684	20.2
185.13258	2.3
193.10162	6.6
194.10977	2.4
195.11676	8.7
197.09631	4.8
197.13287	10.5
206.10837	8.2
207.11705	13.3
208.12558	2.2
209.13283	11.5
211.11154	7.1
211.14865	7.7
213.35742	1.2
220.12593	2.6
221.13258	12.5
222.14041	5.2
223.14844	5.8
225.12770	4.8
233.13225	2.2
234.14017	2.8
235.14720	2.0
237.16364	13.2
239.14334	2.8
239.17921	2.6
248.15623	6.7
251.18018	1.4
253.19550	7.6
263.17957	18.7
281.18997	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	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
52.45755	1.2
53.03938	1.4
55.05511	2.3
57.03439	5.6
58.13723	1.3
62.11628	1.1
64.33326	1.2
67.05501	13.3
69.03415	1.9
69.07063	3.2
71.08605	1.8
76.67457	1.5
79.05504	20.4
81.03410	3.5
81.07063	13.9
81.59998	1.3
83.04975	8.4
83.08598	2.3
85.06560	2.1
91.05474	16.0
92.05769	1.8
93.07037	19.8
94.72582	1.3
95.04958	6.3
95.08601	10.5
97.06499	1.7
103.95168	1.5
105.07018	14.5
107.04949	1.6
107.08620	12.6
109.06509	2.6
109.10159	3.6
117.06927	1.6
119.08577	23.0
121.06536	1.6
121.10107	3.6
124.42110	1.5
129.06996	2.6
131.08548	6.3
132.08376	1.4
132.26128	1.5
133.06557	1.6
133.10123	29.3
135.08072	12.2
137.09616	2.1
143.08571	5.8
144.43362	1.4
145.06435	1.5
145.10112	6.5
147.08017	2.2
147.11678	9.2
155.08589	5.2
157.10139	9.4
159.08070	2.9
159.11697	6.1
161.09595	9.4
161.13206	2.2
169.10121	6.0
171.11671	11.5
173.09692	1.9
173.13245	3.2
179.08600	1.6
181.10167	3.3
183.07936	1.8
183.11702	7.7
185.13243	1.9
187.11143	3.4
189.12747	1.7
193.10120	2.3
195.11710	2.3
197.09669	2.0
197.13272	7.4
199.11171	2.4
199.14822	2.2
201.12691	1.9
206.10919	1.8
207.11678	9.6
207.13791	1.4
209.13246	3.1
211.11176	3.5
211.14821	3.5
221.13264	3.7
223.11137	2.4
223.14871	1.9
225.12762	5.7
235.15025	2.7
237.12912	2.2
237.16400	2.1
238.13472	2.2
239.14262	7.6
248.15627	1.9
253.16002	1.8
253.19481	5.7
263.17886	10.1
281.15393	18.1
281.18988	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	281.1901
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.05507	1.4
57.07063	1.0
58.06565	1.1
58.20509	1.2
62.29258	1.1
67.05499	2.0
69.07053	2.3
74.51797	1.1
74.72272	1.0
79.05514	1.8
81.07060	6.6
83.04968	1.4
83.08649	1.7
91.05476	2.8
93.07044	2.5
95.04967	1.5
95.08593	6.0
105.07041	7.6
107.08592	5.5
108.27670	1.1
109.06540	1.6
109.10165	2.9
111.08078	1.6
119.08569	13.5
121.10165	6.9
123.08082	1.3
131.08586	5.6
133.10141	6.5
135.08055	2.5
135.93071	1.2
137.83951	1.1
143.08539	7.0
145.10136	8.6
147.08008	1.2
147.11732	1.3
149.09616	1.9
155.08594	6.4
157.10168	9.8
159.11707	6.5
161.09633	1.8
167.08629	1.7
169.10126	11.9
171.11681	6.3
173.09601	2.6
175.11238	1.3
179.08601	1.9
181.10144	7.2
183.08055	2.1
183.11668	11.2
185.09619	2.2
185.13280	2.0
192.09335	1.6
193.10170	6.4
194.10896	1.5
195.11671	8.4
197.09630	11.1
197.13269	6.8
199.11111	2.3
206.10884	1.8
207.11713	7.7
209.09705	1.3
209.13225	7.8
210.10509	1.6
211.11189	6.7
211.14830	6.0
220.12361	4.6
221.13289	9.6
223.11128	2.0
223.14816	6.6
225.12747	5.6
233.13260	1.6
234.14023	1.5
235.07967	1.2
235.14880	2.1
237.16418	2.7
238.13446	1.4
239.14217	10.9
239.17953	2.9
248.15588	2.5
251.14182	1.4
253.15996	1.8
253.19467	8.6
263.14377	1.1
263.17966	9.7
266.16611	5.2
281.15451	17.8
281.19012	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	281.2475
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.05516	54.3
57.06828	3.7
57.07076	27.2
57.07338	3.5
67.05505	46.8
69.06731	5.7
69.07069	100.0
71.04942	4.2
71.08615	8.7
79.05486	24.1
81.07059	81.9
82.82259	4.4
83.04973	4.3
83.08618	75.4
83.23704	3.8
85.06574	6.7
91.05481	24.3
92.10588	4.2
93.06512	4.2
93.07030	42.1
95.08595	84.4
97.06516	19.6
97.10168	60.9
105.07053	22.7
107.08574	30.8
109.10143	41.9
111.08070	5.8
111.11719	23.9
118.29612	4.1
119.08569	83.9
121.10133	36.9
123.08040	7.0
123.11723	24.7
125.09637	5.5
131.08510	6.5
133.10152	36.0
135.11696	19.3
137.09599	6.1
147.11667	19.7
147.80774	4.6
149.13246	15.1
161.13261	17.5
163.14836	5.1
165.12721	5.8
169.10095	9.4
175.14792	5.2
179.14241	8.8
183.11751	5.7
193.15747	4.4
211.11200	6.1
221.13263	6.2
237.16269	5.5
239.14270	6.6
245.22612	28.4
263.23633	29.7
266.12891	4.5
281.12451	7.2
281.15384	42.9
281.18933	75.0
281.24701	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.9
60.90151	1.8
61.02488	1.4
98.53363	1.6
98.96935	3.6
98.97587	100.0
116.98627	32.9
126.14720	1.7
195.81462	1.6
240.98857	7.4
258.99753	51.6
269.16113	1.7
272.67712	2.1
277.00806	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	282.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73108	6.1
56.96558	9.5
73.86626	6.4
84.36150	6.0
87.25801	6.1
98.97572	100.0
104.10739	41.1
116.98613	36.7
143.00146	10.2
160.80040	6.1
161.02946	9.4
180.95734	24.6
186.00554	6.7
188.02611	9.7
192.04649	37.5
198.96793	29.2
223.02785	8.0
229.02222	7.4
258.99695	52.4
264.06308	8.2
277.00909	27.3
282.04105	12.5
295.04791	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	282.0973
Annotation	Fenitropan
Peak:m/z	Relative Intensity
55.05079	1.0
60.93363	0.8
61.02922	4.7
85.02905	7.2
85.06544	4.2
97.02871	1.9
107.04961	21.4
119.04943	2.3
121.02856	4.5
121.06493	1.7
122.06010	8.3
125.02389	1.0
127.03954	1.3
129.52043	0.9
131.04964	1.6
133.02817	4.2
133.06477	4.3
135.04396	5.5
145.04956	1.7
145.06485	10.1
147.04408	12.1
147.08073	1.6
149.05974	19.9
150.05527	7.4
157.06465	5.3
159.04402	4.3
161.02321	8.7
161.05936	6.9
163.66922	1.1
164.06964	1.5
171.04433	1.1
173.02272	1.5
173.05972	18.2
175.03848	7.8
175.07381	1.0
177.05472	18.1
178.04988	18.9
185.05978	4.9
187.03876	2.0
189.05420	4.0
191.07132	2.0
192.06583	7.5
200.07033	1.7
201.05469	21.7
203.06984	1.6
204.06575	17.1
205.04984	8.8
216.53572	1.0
219.06549	3.9
222.07602	2.0
229.04919	8.8
246.07631	6.2
247.05989	1.4
264.08691	5.8
265.07050	1.7
282.09714	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	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03429	3.2
57.47565	0.8
61.02935	8.6
63.45835	0.7
68.18265	0.7
68.99789	0.9
69.03428	10.8
71.01340	1.9
71.04971	1.9
73.02885	2.1
81.03383	4.8
85.02901	69.0
85.06541	11.5
87.04449	1.8
91.03926	4.4
97.02892	20.0
99.04442	4.4
103.03934	1.7
107.04943	21.8
109.02866	6.2
119.04865	1.3
121.02821	5.1
121.06483	1.9
122.05986	9.0
127.03909	16.7
131.04904	1.9
132.04408	1.1
133.02849	5.9
133.06465	3.5
134.05965	1.1
135.04399	4.6
140.03394	1.4
145.04950	29.1
145.06419	11.0
147.04393	14.9
147.08003	4.1
149.05956	19.5
150.05473	12.2
157.06491	3.9
159.04387	1.4
161.02356	7.4
161.03423	0.8
161.05937	8.4
163.06029	8.5
163.07208	1.1
171.04434	0.9
173.05943	13.5
174.05435	1.2
175.03835	6.7
175.07518	2.1
177.05431	18.0
178.04968	19.4
183.04358	1.6
185.05920	1.9
187.03860	2.1
189.05362	4.1
191.07042	1.4
192.06543	3.7
200.07024	1.3
201.03667	1.4
201.05447	28.4
203.03345	1.2
203.06982	1.8
204.06552	24.3
205.04958	5.6
209.08174	1.3
218.08107	1.5
219.06480	6.0
229.04884	8.4
229.10643	5.6
246.07527	4.6
247.05980	1.6
264.08682	4.1
264.14133	1.2
265.07132	1.8
282.09680	100.0
282.15015	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	282.1196
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
51.30196	0.3
56.96550	0.7
57.03426	1.2
61.02916	0.4
65.50282	0.3
69.03410	1.5
71.04989	0.7
72.08152	0.4
73.02899	1.7
75.23688	0.3
76.99749	0.3
81.03418	0.7
84.08105	0.4
85.02906	3.8
85.06568	0.3
86.03651	0.4
89.44642	0.3
91.25620	0.3
91.98646	0.3
97.02871	2.3
98.97562	1.7
99.04431	0.6
107.04939	2.1
109.02869	1.6
110.01251	0.5
116.01263	1.3
119.01799	0.4
121.02853	0.4
121.06477	0.4
122.06010	3.8
126.02542	0.3
127.03909	1.4
128.98622	0.5
136.06169	6.3
136.07642	0.5
140.02296	0.4
140.07016	0.6
145.05054	0.3
146.02345	0.4
149.05965	0.8
150.05580	2.4
150.07739	100.0
152.07074	0.4
153.07414	1.5
155.02832	1.2
158.99629	0.4
164.07074	0.8
176.03394	0.6
181.35881	0.4
185.03880	2.4
185.05513	0.5
189.00693	0.5
192.04608	0.4
201.00824	0.4
201.05296	1.9
218.08206	1.3
222.06276	0.4
236.09213	1.2
241.96834	0.3
242.42728	0.3
251.04347	0.6
259.01370	0.5
263.99542	1.4
269.05435	0.6
276.06921	0.6
277.02121	0.5
277.07391	0.5
282.00519	1.2
282.09308	1.9
282.12039	9.6
282.14807	0.8
282.18304	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	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03436	3.5
61.02925	10.4
67.05486	1.2
69.03436	12.9
70.06590	2.0
70.60458	0.8
71.04991	1.6
73.02913	4.9
78.79036	0.8
81.03416	6.1
85.02906	100.0
85.06549	17.0
87.04465	1.4
91.03960	7.0
93.83775	0.9
95.04942	0.9
95.35505	0.8
97.02892	21.6
99.04460	4.4
101.02361	1.1
107.04933	5.8
108.05310	1.1
109.02874	6.3
122.05988	1.1
127.03903	27.9
133.06502	1.2
137.05893	0.9
145.04965	42.1
147.04424	1.8
149.05975	1.5
150.05528	1.7
157.06430	1.2
163.06026	11.1
173.05971	1.9
176.12790	1.2
177.05446	2.4
178.04988	3.7
180.08591	1.4
185.68126	1.1
187.03839	1.0
192.06519	1.3
201.05482	4.5
204.06572	2.4
211.09746	1.3
229.10768	7.2
264.13559	2.0
282.09787	15.8
282.15341	4.1
282.18964	1.1
286.97495	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	282.2791
Annotation	Oleamide
Peak:m/z	Relative Intensity
50.36911	1.3
54.25616	1.8
55.05519	19.0
57.07076	26.4
67.05482	8.8
67.59151	1.6
69.06725	2.6
69.07063	44.5
71.08633	17.3
72.08146	2.5
72.85519	1.4
74.28481	1.5
79.05473	2.6
81.07063	18.7
83.08164	2.1
83.08614	46.8
84.08116	2.0
85.10170	7.4
86.06043	7.8
93.07024	7.7
95.08598	20.3
97.06498	11.3
97.10146	33.9
100.07623	12.7
104.24754	1.8
107.08575	10.2
109.10133	10.4
111.08049	8.4
111.11691	14.5
114.09147	9.8
121.10138	16.0
123.11671	6.8
125.09627	4.2
125.13205	2.3
128.10675	3.2
135.00957	2.1
135.11641	15.5
139.11169	2.5
142.12201	2.5
149.13243	10.0
163.14784	3.8
170.15495	1.9
177.16321	2.7
247.24181	17.8
265.25238	20.1
282.27899	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	283.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11423	0.9
53.83190	1.0
55.01863	1.2
56.28194	1.0
58.70535	1.1
61.93681	1.1
62.95190	1.1
66.68910	1.0
67.56169	1.0
72.08179	1.6
86.36502	1.1
95.04942	2.1
112.80805	1.3
120.08076	1.3
121.02860	25.1
129.10239	2.7
139.03903	2.8
163.03876	1.5
187.03893	1.3
211.03670	1.2
213.05502	1.8
225.16325	1.9
227.07034	2.0
229.04910	4.3
237.05515	3.0
255.06546	10.7
265.04913	4.7
269.42319	1.3
283.08121	100.0
283.17426	1.8
283.20325	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	283.1327
Annotation	Juncunone
Peak:m/z	Relative Intensity
51.05022	1.5
64.77916	1.9
69.03387	2.2
81.07030	2.3
81.58593	1.7
92.17849	9.6
95.04950	15.8
102.48642	2.4
105.07046	1.8
105.21577	1.8
117.06953	2.3
128.95226	1.8
131.04893	2.2
145.06386	2.2
155.08537	3.5
157.10010	2.3
159.07927	2.2
165.07030	8.1
167.08510	7.8
169.10080	4.3
171.07939	2.9
171.11652	2.8
179.08614	7.5
180.09300	10.5
181.10101	17.3
183.08081	3.9
183.11708	2.5
185.09593	3.2
185.13219	2.2
187.07588	1.9
194.10909	3.5
195.11632	28.6
197.09554	3.2
199.11131	7.9
201.09036	2.0
208.08861	10.6
209.09723	2.1
209.13289	3.7
213.12726	14.5
219.11572	4.4
221.09714	1.9
222.10416	11.9
223.11177	40.3
225.09177	2.3
226.09897	2.6
237.12654	13.6
240.11565	2.0
241.12247	25.3
247.11179	2.5
255.13783	12.0
265.12134	25.0
283.13281	100.0
283.16599	7.1
283.20334	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	283.1329
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
55.65225	0.5
56.44209	0.5
57.07105	0.5
57.97886	0.6
58.36363	0.7
61.65171	0.6
62.39863	0.6
64.46316	0.6
67.30580	0.6
69.07086	1.0
81.07054	1.5
93.07076	2.3
95.08588	1.5
105.07013	1.0
107.08604	0.9
119.08578	1.7
121.10132	2.5
131.08521	1.0
133.10141	5.8
135.08078	1.0
143.08578	1.0
145.10114	1.3
147.11678	0.8
148.20766	0.7
148.81688	0.7
157.10085	1.1
159.11673	1.0
161.09567	1.1
169.10118	1.0
173.13255	3.0
183.11626	0.7
185.13318	1.3
199.11111	1.1
209.13255	1.2
213.09099	1.3
223.14864	1.1
227.14313	1.0
239.10799	1.3
240.11523	4.9
241.08652	8.5
241.12277	6.1
251.10712	0.7
253.08562	0.9
255.13815	3.8
255.16693	0.7
265.12207	0.9
265.19379	3.1
267.10168	2.6
268.10931	22.6
283.13284	100.0
283.20383	17.7
297.12909	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	283.154
Annotation	Merrillianone
Peak:m/z	Relative Intensity
57.75175	2.0
59.26675	1.9
67.05489	2.3
79.05508	2.2
81.07055	15.1
83.73428	2.1
84.24102	2.1
87.56924	2.2
91.05472	9.5
93.07032	8.7
95.08591	5.5
105.07030	11.1
107.08619	5.2
109.06538	3.2
111.08076	2.8
115.21125	2.0
119.08549	11.3
121.06534	3.2
121.10151	3.2
123.08112	2.9
131.08563	5.5
133.10130	10.6
137.05984	9.7
143.08582	4.5
145.10085	14.0
147.11658	8.3
149.05956	3.6
149.09604	3.0
151.07491	2.4
157.10124	10.6
159.11711	12.2
161.09637	2.6
163.07550	4.9
169.10149	9.7
171.11661	8.8
173.09641	2.2
173.13254	3.7
177.09250	3.2
181.10205	3.4
183.11702	14.6
185.13231	9.4
187.07480	3.9
195.11703	9.3
197.13264	9.5
199.14868	2.6
201.09036	3.3
201.12704	4.5
205.08604	14.7
205.12260	3.9
208.12430	3.3
209.13272	9.9
211.14865	2.8
223.14861	11.7
225.16341	5.5
227.14403	3.2
229.12215	10.8
231.78130	2.6
236.15723	2.4
237.16327	4.5
239.17908	7.8
247.13255	38.2
255.21065	4.5
265.19455	19.8
283.06317	8.1
283.09738	8.3
283.13538	2.1
283.16898	21.4
283.20572	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.0
55.06902	1.1
57.07073	1.4
58.24424	1.1
58.60465	1.1
59.04990	7.1
60.21926	1.1
61.42274	1.2
63.80011	1.3
67.05498	1.7
69.07054	5.8
71.04995	1.3
77.53350	1.1
79.05480	2.3
81.06638	1.4
81.07044	12.8
83.04989	2.2
91.05458	7.1
93.07078	9.5
95.04955	2.2
95.08586	10.7
97.06541	1.8
98.13687	1.2
99.04467	14.7
101.06041	1.2
105.07035	12.4
107.08585	8.0
109.06505	4.9
109.10143	2.4
111.08074	1.5
117.07008	6.0
117.77469	1.4
119.04916	1.6
119.08582	29.8
121.06504	3.0
121.10137	6.1
123.08033	2.8
129.07079	1.9
129.95290	1.6
131.08554	13.7
133.06470	5.8
133.10143	12.6
135.08051	3.1
137.06064	2.3
141.06972	1.5
142.35042	1.3
143.08574	13.5
145.06519	4.9
145.10161	9.1
147.08057	10.3
147.11719	2.8
149.05948	5.8
149.09567	1.6
151.07512	2.6
155.08545	4.9
157.10138	12.0
159.08049	7.5
159.11650	20.3
161.09665	10.1
161.13249	6.4
163.07581	7.2
165.09184	1.7
167.08609	1.5
169.10139	6.6
171.08029	2.7
171.11681	6.9
173.09625	5.4
173.13284	8.8
174.61971	1.6
175.11232	2.0
177.05455	2.1
177.09094	4.8
179.08495	1.5
181.10097	6.7
183.11667	14.6
185.09648	3.0
185.13304	6.9
187.07539	7.8
187.11195	7.6
189.09180	2.5
189.12697	2.6
191.06987	1.8
193.10101	1.5
195.11711	7.6
197.09639	1.7
197.13266	6.3
199.11226	2.6
199.14870	2.3
201.12723	19.9
203.14326	2.9
205.08588	20.0
205.10271	2.1
205.12076	2.3
209.13165	9.8
211.11131	1.9
211.14874	2.5
217.12253	5.5
219.13852	7.8
223.11206	5.5
223.14784	7.5
225.12830	9.3
225.16473	2.7
229.12228	10.6
235.13237	2.7
237.16422	11.4
239.14224	2.0
239.17847	1.7
241.15807	5.2
247.13094	24.1
255.17476	6.0
265.13995	31.0
265.19592	6.7
283.16916	100.0
283.20551	45.1
287.14856	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	283.1692
Annotation	CHEBI:70570
Peak:m/z	Relative Intensity
50.36643	1.2
52.35891	1.3
55.05515	1.5
57.03440	1.5
57.07054	1.4
67.05502	1.8
69.03401	1.7
69.07064	6.4
71.19942	1.6
75.20480	1.4
78.41277	1.6
79.05488	5.6
81.07041	9.0
83.04977	1.8
83.08603	3.3
91.05458	2.5
93.07040	6.5
95.04967	2.7
95.08598	10.0
105.07018	16.1
107.08577	9.9
109.06482	2.0
109.10147	3.6
119.08562	10.5
121.02852	2.6
121.06515	2.5
121.10155	5.6
123.08039	3.1
131.08574	8.1
133.06458	8.4
133.10121	9.5
135.08025	2.1
135.11743	2.0
143.08614	10.8
145.06512	2.1
145.10112	8.1
147.07976	1.6
147.11740	2.4
149.09590	1.9
155.08563	5.9
156.09319	2.1
157.10147	16.3
159.08047	6.5
159.11702	8.1
163.11197	2.2
167.08469	2.1
168.39719	1.6
169.10063	6.7
170.10956	1.9
171.11670	19.7
173.09618	3.2
173.13298	3.1
175.11258	3.2
179.08545	1.8
180.09328	2.9
181.10059	11.6
182.10977	2.7
183.11664	7.9
185.09654	6.0
185.13232	12.1
187.14780	1.7
189.12766	1.8
193.10249	1.9
194.10858	6.3
195.11726	14.0
196.12527	2.2
197.09639	3.2
197.13316	7.6
199.07439	1.6
199.11139	16.0
199.14828	2.2
207.11671	2.6
208.12450	2.6
209.09666	1.8
209.13223	9.1
211.11131	2.4
211.14778	6.2
213.12761	8.2
213.16370	2.6
215.14410	12.1
215.16084	1.5
221.13280	2.9
222.14046	5.9
223.11259	6.1
223.14790	11.1
224.15674	1.8
225.12665	6.1
225.16478	2.3
225.34467	1.6
227.10619	2.0
227.14352	1.9
235.10951	1.9
237.16376	11.4
239.14275	6.5
239.18027	2.0
240.15067	2.4
241.12144	6.3
241.15842	6.9
255.17422	14.0
255.21017	2.1
265.15927	12.9
265.19409	6.8
283.09906	5.0
283.13702	3.6
283.16907	100.0
283.20517	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1691
Annotation	CHEBI:70570
Peak:m/z	Relative Intensity
55.05504	1.5
57.07077	1.4
67.05497	1.9
69.03425	2.1
69.07066	2.3
79.05497	1.2
81.03372	1.1
81.07052	5.0
82.99899	1.0
83.04963	1.5
83.08604	1.6
87.34627	1.0
91.05457	2.0
93.07047	5.8
95.04942	1.7
95.08595	4.5
105.07004	6.4
105.27081	1.2
106.83494	1.0
107.08604	5.1
109.10152	5.1
111.08056	1.2
117.07019	2.0
119.08581	5.8
121.02852	1.5
121.06553	1.9
121.10134	4.2
129.06981	1.8
131.08551	2.0
133.06447	1.1
133.10130	10.2
135.07965	1.1
135.11600	1.4
137.09631	2.0
143.08560	8.9
145.06606	1.2
145.10117	6.9
147.08063	1.8
147.11621	2.2
149.09612	2.4
155.08571	2.0
156.09355	1.4
157.10117	10.7
159.08006	2.3
159.11690	5.5
161.09668	4.1
165.07036	2.1
167.08556	4.7
169.10132	5.7
171.08124	2.3
171.11671	16.3
173.09596	1.7
173.13249	2.1
175.11154	1.9
179.08490	1.5
180.09296	1.6
181.10144	7.2
183.11723	6.6
185.09598	6.7
185.13258	4.7
187.11185	3.7
189.12892	1.2
193.10107	1.7
194.10898	1.7
195.11652	13.7
197.09634	1.7
197.13295	6.5
199.07475	1.4
199.11180	13.2
199.14764	2.2
207.11644	1.6
208.08897	1.7
208.12473	5.2
209.13286	7.2
211.11168	4.6
211.14755	5.1
213.09119	1.8
213.12732	9.5
215.14255	1.7
221.13210	1.6
222.10254	1.4
222.13976	5.1
223.11189	7.8
223.14789	9.2
225.12764	1.7
227.10634	6.0
227.14333	5.0
227.17876	1.4
235.14813	1.3
237.12874	1.6
237.16385	9.1
239.14262	2.3
239.17909	2.3
241.12213	8.8
241.15875	8.8
247.14694	1.9
250.13516	2.1
252.46349	1.1
253.15813	1.7
254.16754	1.4
255.17329	7.7
265.15836	13.2
265.19543	5.7
283.10217	2.7
283.13611	6.1
283.16922	100.0
283.20511	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	283.1693
Annotation	Diethylstilbestrol monomethyl ether
Peak:m/z	Relative Intensity
55.05515	0.8
81.07036	1.3
91.05477	2.1
92.17846	4.4
93.07034	4.6
105.07023	14.3
106.29748	0.9
107.08586	3.9
119.08563	22.4
121.06491	5.8
121.10130	48.9
129.06961	1.2
131.08559	1.7
133.06464	1.4
133.10126	26.9
145.10127	4.6
147.08086	1.7
147.11679	48.6
151.11073	1.1
157.10168	1.9
160.08820	1.6
175.11163	22.8
188.68524	0.9
195.11719	1.6
209.13190	1.1
223.14867	1.6
266.98117	0.9
268.10941	1.8
283.13522	5.8
283.16931	100.0
283.20331	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	283.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71358	1.1
87.04441	1.2
89.06030	100.0
92.17943	1.4
105.81781	1.1
107.04905	1.2
121.02848	12.2
133.08600	32.4
137.06528	1.3
139.03896	1.5
139.07431	1.2
140.08624	1.0
163.07550	2.0
174.71921	1.0
177.11247	8.1
195.12247	1.1
239.14922	1.4
283.05923	4.6
283.17468	13.0
283.20514	2.8
297.38339	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
55.05516	1.4
60.13451	1.2
60.37020	1.1
67.05489	2.9
69.07050	3.0
74.71733	1.3
75.69386	1.2
79.05506	1.7
81.07041	6.9
83.08585	1.6
85.49480	1.2
91.05473	2.6
93.07024	5.8
95.08607	12.3
95.09142	1.2
97.19673	1.3
101.75115	1.3
105.07034	8.6
107.08620	16.5
109.06534	1.9
109.10126	6.9
119.08560	8.8
121.02822	1.5
121.10127	7.2
131.08536	2.3
133.06432	2.5
133.10144	25.5
135.08055	32.7
135.11684	2.6
143.08559	2.6
145.06473	6.8
145.10101	7.8
147.08009	2.2
147.11674	6.3
155.08511	1.8
157.10155	6.5
159.11681	7.0
161.09583	2.7
161.13234	2.0
163.11189	2.3
169.10123	3.0
171.11711	5.6
173.13243	3.0
173.68303	1.4
175.11076	1.5
181.10062	2.0
183.11665	5.1
185.13223	5.4
189.12796	2.2
195.11705	3.1
197.13269	3.0
199.14786	6.4
209.13229	6.7
211.14771	2.2
213.12776	2.9
213.16289	1.6
215.14282	5.7
223.14839	2.6
225.16321	2.1
227.14297	6.4
241.15810	2.8
253.15948	2.3
255.21133	3.2
265.19519	10.4
283.17355	4.2
283.20547	100.0
283.72443	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
55.05493	2.5
58.59545	1.2
59.53589	1.1
60.30308	1.0
67.05502	1.5
72.51391	1.1
73.93295	1.2
79.05470	1.6
81.07030	8.8
83.08625	1.4
91.05456	2.0
93.07014	6.4
95.04952	2.7
95.08575	8.4
99.53049	1.3
105.07029	3.2
107.08593	11.0
109.10149	6.3
111.08121	1.3
117.06965	1.5
119.08550	12.9
121.06420	1.6
121.10128	2.5
129.06879	1.2
131.08597	2.0
133.10129	100.0
135.08049	5.4
135.11635	1.9
137.09610	2.5
143.08565	2.7
145.06445	2.3
145.10120	14.4
147.11661	10.8
157.10103	6.6
159.11667	6.6
161.09659	1.9
163.11122	1.7
167.08566	1.3
169.10135	2.7
171.11674	6.5
173.13274	2.3
177.22694	1.3
181.10078	1.9
183.11674	3.0
185.13237	6.5
187.14758	1.8
195.11691	2.4
197.13243	3.2
199.14821	2.5
209.13240	7.3
215.14458	1.6
223.14813	5.2
225.16391	2.7
227.14319	1.8
237.16434	1.8
255.20941	3.1
256.64270	1.3
265.19522	14.5
283.20544	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05519	1.4
55.63047	0.8
56.78788	0.7
57.07072	1.4
67.05514	1.8
69.07044	3.5
72.29532	0.7
75.85194	0.8
79.05492	4.6
79.13148	0.8
81.07078	7.4
83.08605	1.1
91.05476	4.6
93.07030	6.4
95.04958	3.3
95.08604	14.8
105.03363	1.1
105.07021	12.4
107.08597	25.5
109.06534	1.0
109.10156	10.3
115.05436	1.1
117.06987	3.2
119.08569	11.4
121.06505	4.4
121.10140	7.6
123.08071	1.6
123.11726	3.4
129.07022	1.6
131.08600	6.4
133.06497	6.0
133.10121	16.4
135.08052	36.3
135.11641	3.4
137.09610	1.3
143.08556	8.1
145.06459	11.0
145.10088	11.1
147.08025	5.0
147.11694	6.8
149.09637	3.2
149.13248	1.6
149.37395	0.9
155.08540	3.9
157.10126	9.5
159.08058	5.9
159.11667	8.9
161.09602	10.6
163.11165	3.2
165.06987	1.4
167.08560	4.4
169.10120	5.4
171.08067	3.6
171.11635	8.9
173.09633	3.5
173.13235	4.8
175.11177	3.1
175.14810	1.3
179.08559	1.4
180.09335	1.6
181.10136	7.0
183.11659	8.7
185.09627	4.5
185.13290	5.5
187.11208	3.5
189.12708	1.6
190.07816	1.2
193.10098	1.7
194.10872	0.9
195.11670	10.6
197.09647	1.6
197.13258	5.0
198.10429	1.3
199.11160	7.3
199.14845	4.7
201.12733	1.7
205.10109	1.8
207.11699	1.8
208.08890	1.5
208.12502	0.8
209.09637	1.5
209.13235	9.8
211.11154	1.8
211.14780	3.5
213.09094	1.4
213.12692	7.9
213.16217	1.8
215.14311	7.6
222.14041	1.9
222.62682	1.0
223.11201	33.2
223.14706	9.1
225.12747	4.6
225.16339	4.4
227.10603	1.4
227.14343	5.4
237.12680	1.5
237.16310	6.3
239.14291	1.9
239.17976	3.9
240.14977	1.0
241.12251	11.1
241.15944	5.9
247.14822	1.3
250.13542	1.9
255.17500	4.9
255.21085	5.8
265.16086	6.5
265.19452	10.4
283.13477	6.9
283.16949	54.6
283.20566	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.39209	1.1
57.32934	1.0
60.73687	1.1
67.05488	2.3
68.21096	1.0
78.22820	1.2
79.05495	2.1
81.07048	6.5
83.08603	1.6
91.05457	5.1
93.07031	6.8
95.04950	2.4
95.08601	9.8
105.07041	9.7
107.08604	18.0
109.06525	1.4
109.10155	9.5
119.08578	12.6
120.68287	1.2
121.10121	6.3
131.08559	5.0
133.06538	4.0
133.10124	33.5
135.07074	1.9
135.08043	37.5
135.11676	2.0
137.09616	1.4
143.08539	2.2
145.06459	8.8
145.10101	7.0
147.07985	1.9
147.11664	4.7
157.10138	2.8
159.07985	2.2
159.11734	4.2
161.09563	2.3
163.11131	4.7
169.10069	2.0
171.11655	5.1
173.13225	4.4
175.11238	1.5
181.10126	2.0
183.11633	4.3
185.09483	1.7
185.13278	2.3
195.11710	1.3
197.13242	1.9
199.11292	1.7
199.14697	3.8
201.12856	4.5
209.13275	2.1
211.14642	1.7
213.12704	1.5
215.14279	6.5
223.14819	5.8
227.14297	6.2
237.16315	1.7
239.17754	3.6
241.15834	2.7
252.09828	1.2
255.21161	1.5
265.19501	8.8
283.20544	100.0
299.52182	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
51.05275	1.0
69.07056	2.0
78.82422	1.2
78.96441	1.1
79.05429	1.1
81.07051	5.8
87.50034	1.3
91.05514	1.7
93.07014	5.2
95.04984	1.4
95.08586	8.8
95.34330	1.1
105.07027	4.3
107.08599	17.9
109.10178	9.0
110.50576	1.3
119.08576	11.8
121.10141	5.3
131.08531	4.6
133.06451	2.5
133.10127	26.0
135.08043	26.7
135.11644	5.0
137.09564	1.4
143.08556	7.3
145.06448	7.7
145.10098	7.7
147.08038	2.0
147.11736	5.2
157.10091	4.9
159.08034	1.6
159.11653	3.0
161.09576	2.8
169.10162	2.0
171.11736	2.9
173.09625	1.6
175.11221	2.1
180.21957	1.3
181.10110	2.3
183.11600	2.3
185.09564	1.8
185.13225	5.9
189.12698	1.4
195.11760	2.8
197.13210	2.2
209.13312	5.0
213.12779	2.8
213.16319	2.2
215.14227	2.8
223.14822	6.5
225.16331	2.7
227.14337	5.0
239.17838	2.5
241.15858	2.6
255.21054	1.7
265.19516	7.9
283.17276	5.4
283.20535	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	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
57.07059	1.6
63.65507	1.0
63.78803	1.0
66.60250	1.2
69.07063	2.8
79.05486	1.7
81.07042	5.2
82.09431	1.2
83.08623	2.0
91.05482	2.5
93.07007	5.6
95.08588	9.7
97.06493	1.6
97.91870	1.2
105.07021	12.4
107.08610	10.9
109.06486	1.3
109.10143	7.7
114.21286	1.3
119.08575	19.8
121.06458	1.7
121.10120	7.5
121.26530	1.5
122.76898	1.3
123.08073	2.3
123.11642	2.1
125.09624	5.4
131.08556	2.4
133.10130	8.4
135.08028	5.8
137.09615	5.3
143.08540	6.1
145.10103	11.4
147.11681	5.6
149.09604	1.6
149.13237	1.8
155.08574	1.5
157.10107	11.1
159.08064	1.9
159.11699	6.9
169.10042	1.7
171.11674	8.2
173.09613	1.6
173.13240	6.4
175.14764	1.5
177.12729	1.4
181.10138	1.6
183.11739	2.3
185.13303	10.6
197.13261	4.9
199.11137	2.0
199.14857	2.5
201.12575	1.3
209.13229	5.2
211.14795	5.5
213.12755	4.9
223.14821	3.0
227.14333	2.5
241.15927	5.6
241.19617	1.7
255.21086	5.1
265.19485	7.0
283.20554	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	283.2055
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.49919	1.3
55.05497	2.3
57.37245	1.6
57.63281	1.4
61.73489	1.9
61.78790	1.4
63.46460	1.3
63.54629	1.5
64.00296	1.4
64.00642	1.9
65.93555	1.8
67.05500	3.3
69.07059	7.0
79.05474	2.1
81.07033	6.8
91.05480	7.9
93.07057	13.2
95.04953	3.2
95.08601	10.9
95.56773	1.9
105.05611	1.8
105.07059	12.8
107.08587	17.7
109.10129	8.1
111.08129	2.2
119.08575	17.9
121.06454	2.0
121.10123	7.9
123.08089	2.2
123.11680	2.3
129.06999	3.5
131.08557	16.3
133.06442	2.1
133.10141	33.9
135.08072	6.8
135.11679	2.4
137.09618	2.4
137.97971	1.8
141.06927	1.6
142.07832	1.8
143.08571	10.5
145.10100	19.1
147.08000	3.3
147.11697	8.3
149.09657	1.8
155.08627	2.2
156.09396	2.3
157.10126	11.7
159.11667	14.3
161.09610	3.5
163.11198	1.8
165.06923	3.2
167.08582	7.1
168.09271	2.0
169.10091	10.2
171.07965	2.1
171.11696	13.7
173.09628	3.3
173.13234	3.3
175.11192	3.7
179.08517	2.9
181.10080	12.0
183.11676	7.6
185.09604	2.0
185.13258	10.7
187.11229	2.7
193.10190	2.2
194.10954	2.1
195.11681	17.4
196.12471	2.2
197.09605	2.6
197.13234	12.1
198.14082	1.7
199.11223	8.5
199.14755	3.7
207.11671	2.5
208.12505	3.4
209.13228	15.9
211.14772	7.8
213.12701	8.6
215.14412	3.2
223.11203	7.3
223.14751	12.8
225.12764	6.3
225.16370	7.7
227.14272	6.8
237.16322	12.1
239.14354	2.9
239.17870	7.1
240.15031	2.5
241.12210	3.7
241.15840	11.1
250.13713	2.5
255.17380	6.5
255.21239	4.8
265.15872	9.6
265.19467	19.2
283.13654	8.7
283.16931	91.5
283.20529	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	283.2055
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.92221	1.4
55.23138	1.1
61.73181	1.3
61.85330	1.4
67.05484	2.5
68.18529	1.4
69.07051	7.5
69.89558	1.6
75.44707	1.4
81.04227	1.6
81.07051	3.4
82.55900	1.6
83.04962	1.7
83.08619	2.1
91.05469	2.3
93.07030	3.2
95.04961	3.0
95.08589	9.5
101.28610	1.6
103.33144	1.4
105.06996	6.5
107.08554	8.6
109.10130	8.6
119.08553	9.0
120.47734	1.4
121.02847	12.3
121.10119	9.1
131.08521	7.3
133.10117	13.3
135.07985	1.8
135.11690	1.9
143.08511	3.5
145.02753	1.7
145.10155	11.3
147.11720	3.7
157.10107	11.2
159.11670	10.9
161.09576	1.8
169.10114	3.9
171.11658	9.2
173.13167	2.3
181.10133	3.0
183.11652	3.0
185.09526	2.4
185.13281	3.5
189.25128	1.4
195.11688	7.0
197.13243	7.1
199.11069	2.2
199.14839	3.4
209.13307	6.1
211.14714	6.0
213.12682	3.1
213.16618	1.6
215.14111	1.6
223.14784	9.0
225.16316	2.6
227.14275	8.0
237.16400	3.0
241.15816	2.0
241.19437	9.6
255.21039	9.8
265.19559	11.6
283.09546	6.4
283.16965	15.1
283.20520	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	283.2055
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.95378	0.9
55.05511	1.1
64.99934	1.1
67.05489	2.6
69.07063	4.0
79.05476	2.2
79.18698	1.1
81.03429	1.7
81.07046	6.6
83.08601	1.8
91.05486	2.4
93.07014	6.5
95.04959	1.6
95.08617	10.3
105.07034	10.2
107.08590	17.6
109.06501	1.4
109.10149	6.9
119.08569	9.0
121.10117	6.3
123.11713	1.4
129.06905	1.3
131.08539	5.4
133.06494	5.9
133.10123	20.3
135.07077	1.9
135.08051	36.5
143.08531	5.1
145.06480	8.1
145.10106	8.8
147.08072	2.1
147.11664	4.5
149.09619	1.3
155.08578	1.9
157.10097	7.0
159.11665	2.7
161.09589	2.3
161.13223	2.0
169.10104	1.6
171.11632	6.5
173.09518	1.2
173.13257	1.7
175.11084	1.6
181.10135	1.7
183.11659	2.0
185.09544	1.7
185.13196	2.5
187.11136	4.6
187.14812	1.3
195.11696	4.2
197.13206	5.6
199.11111	2.4
199.14842	1.9
201.12762	2.2
209.13206	6.0
213.12773	2.3
215.14334	5.8
223.11337	1.5
223.14825	5.4
225.16454	1.6
227.14294	5.1
237.16312	1.5
239.17975	2.6
241.15771	2.1
241.19669	1.2
255.21112	4.6
265.19516	10.5
283.17010	8.0
283.20535	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
54.90319	1.0
60.41154	0.9
64.60570	1.1
67.05495	2.4
69.07046	2.2
78.40974	1.0
79.05487	2.3
81.03391	6.5
81.07055	7.5
91.05460	2.4
93.07039	9.6
94.23252	1.1
95.04939	3.9
95.08611	10.2
105.07018	6.4
107.08595	14.8
109.06467	1.2
109.10162	11.2
117.06998	1.5
119.08582	10.9
119.80017	1.0
121.10131	6.4
123.11676	1.8
123.65897	0.9
131.08521	2.2
133.06497	2.1
133.10124	69.4
135.08038	16.3
135.11656	2.2
137.09610	5.4
143.08539	4.3
144.79448	1.1
145.06474	7.7
145.10088	5.5
147.08034	1.4
147.11710	9.7
149.13268	1.4
157.10023	2.4
159.11673	6.8
161.09647	10.7
163.11162	2.3
169.10265	1.3
171.07906	1.1
171.11641	5.5
173.09599	1.7
173.13277	4.8
175.11241	2.1
181.10095	1.4
183.11656	2.0
185.13223	6.4
185.46721	1.1
187.11151	1.8
189.12755	1.8
197.13222	1.4
199.14795	1.9
209.13219	2.4
212.71892	1.0
213.12662	1.5
214.70914	1.2
215.14305	1.2
223.14828	2.2
225.16425	2.0
227.14244	4.8
240.15193	1.5
241.15839	6.1
246.16658	1.0
255.20967	2.3
256.05551	1.1
265.09750	1.1
265.19553	8.9
283.20535	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
67.05490	1.4
69.07040	1.9
79.74200	1.4
81.03389	4.4
81.07041	6.3
83.00037	1.3
83.08596	1.5
91.28029	1.3
93.07026	7.6
95.04951	6.4
95.08591	11.2
97.43399	1.4
105.07040	11.0
107.08586	16.4
109.10130	8.5
115.19250	1.3
119.08549	8.7
121.06442	1.7
121.10146	4.6
121.56300	1.4
123.11648	1.4
131.08603	1.8
133.10126	85.8
135.08073	13.9
135.11668	2.5
137.09589	5.6
143.08546	5.2
145.06483	3.2
145.10135	6.8
147.11664	8.2
149.13263	1.4
157.10028	1.9
159.11691	6.8
161.09610	6.7
163.11133	2.7
169.10100	2.2
171.11707	2.5
173.13258	5.7
175.11214	1.7
183.11690	1.6
185.09636	1.4
185.13272	2.9
189.12726	1.6
195.11632	2.2
197.13182	5.2
199.11063	1.6
199.14790	1.8
201.12679	2.3
209.13139	6.0
213.12885	2.1
213.16216	1.8
215.14276	1.9
223.14847	2.5
225.16316	1.8
227.14220	1.9
240.14972	1.9
241.15829	2.9
255.17218	1.4
255.21185	2.3
265.19397	10.3
283.13583	3.1
283.20529	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	283.2057
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
57.07069	1.1
62.23259	0.7
67.05489	1.9
73.39359	0.7
73.57119	0.7
76.08630	0.7
78.05548	0.7
79.05485	1.4
81.03394	1.9
81.07060	6.6
83.08612	1.0
91.05452	1.5
93.07044	7.7
95.04939	3.5
95.08612	7.6
105.07020	5.0
107.08589	11.7
109.06489	1.5
109.10169	7.9
117.07040	1.0
119.08583	10.4
121.10134	5.9
123.08040	0.9
123.11656	1.5
131.08546	3.2
133.10120	36.1
135.08060	13.8
135.11696	1.3
137.09612	1.3
143.08542	3.2
145.06488	3.8
145.10115	4.7
147.08009	1.3
147.11702	5.6
157.10124	4.9
159.11658	4.7
161.09592	7.7
161.13303	0.9
169.09943	1.0
171.11636	4.1
173.09653	1.6
173.13210	3.6
175.11246	1.1
175.14850	1.3
181.10117	1.8
183.11630	0.9
185.13205	1.9
187.11070	1.6
195.11725	0.9
196.30711	0.8
197.13229	1.4
199.11111	3.0
199.14832	1.7
201.12856	0.8
204.00179	0.7
209.13289	1.3
213.12717	3.5
213.16272	1.1
215.14235	1.8
223.14781	1.9
225.16359	0.9
227.14301	5.4
227.17978	1.0
233.18140	0.8
237.16330	1.3
240.15054	1.3
241.15846	4.8
242.24855	1.4
253.15872	3.3
255.21094	3.0
265.19510	6.4
268.18027	1.9
283.20538	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.38517	0.9
54.33424	0.9
54.67202	1.1
56.32041	1.1
63.05267	1.1
65.86509	1.0
67.05487	1.5
69.07050	1.5
74.28171	1.0
75.34283	1.0
77.51083	1.0
79.05492	1.5
81.03414	2.4
81.07043	7.0
91.05479	4.8
93.07044	8.2
95.04954	4.9
95.08592	9.5
98.63358	1.1
105.07049	8.9
107.04939	1.4
107.08592	16.5
109.10143	7.8
117.07000	2.1
119.08588	12.7
121.10139	7.6
123.08093	1.2
123.11623	2.0
126.86826	1.3
133.10124	53.8
135.08046	14.2
135.11703	2.9
137.09633	2.2
143.08559	4.7
145.06461	6.3
145.10103	8.7
147.11694	8.4
149.09668	1.3
149.13202	1.4
157.10089	2.1
159.08000	2.2
159.11687	6.5
161.09627	7.8
161.13240	1.5
163.11165	1.3
171.11671	5.7
173.09642	1.9
173.13213	4.3
175.11142	4.8
183.11728	1.9
183.34721	1.2
185.09622	1.8
185.13217	5.6
187.11172	2.5
189.12706	2.4
197.13274	4.9
199.11169	2.3
199.14819	2.2
201.12700	2.2
209.13289	2.6
213.12846	4.4
213.16377	1.6
215.14294	4.2
215.47350	1.3
225.16364	1.9
227.14293	4.8
239.18042	1.3
240.15024	1.5
241.15843	6.9
255.21075	4.6
265.19589	8.7
283.20560	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.09450	1.0
54.45676	1.1
55.05517	1.2
57.07044	1.6
64.64214	1.3
69.07048	2.5
79.05483	1.3
81.03409	5.6
81.07041	7.1
91.05503	1.8
93.07047	10.4
95.08585	11.0
105.07005	7.8
107.08591	13.5
109.06479	1.7
109.10146	8.4
119.08569	12.7
121.10109	7.1
123.11713	2.0
129.55138	1.3
131.08568	2.7
133.06479	1.6
133.09183	2.4
133.10124	45.9
135.08072	12.5
135.11673	2.4
143.08539	2.1
145.06468	6.4
145.10088	8.1
147.11691	2.9
155.08710	1.6
157.10124	5.9
159.08081	2.0
159.11655	6.0
161.09599	8.0
161.13225	3.1
163.11198	4.5
171.07983	2.3
171.11667	6.2
173.09592	2.0
173.13306	4.3
175.11183	1.6
176.41148	1.4
183.11577	2.0
185.09731	1.6
185.13261	5.5
187.14606	1.3
194.10774	1.7
195.11699	1.6
197.13173	2.3
199.11142	1.4
199.14868	3.0
201.12740	1.5
209.13155	2.5
211.14841	1.9
213.12727	3.2
215.14386	1.7
223.14780	2.6
225.16245	2.3
227.14281	5.3
241.15991	4.8
255.21068	2.6
265.19543	6.8
283.20541	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
51.17393	0.9
52.65918	1.0
53.69317	0.9
55.05505	1.1
56.11554	1.2
67.05502	1.3
81.03416	2.8
81.07054	5.9
90.25774	1.3
93.07063	8.6
95.04968	1.7
95.08588	7.7
100.52763	1.1
105.07034	4.5
107.08607	12.0
109.10140	8.3
117.07030	2.0
119.08598	11.4
121.10133	9.9
123.11729	2.7
129.93222	1.3
131.08507	2.7
133.09180	1.8
133.10133	36.0
135.08061	15.0
135.11627	1.5
137.09642	2.5
143.08582	2.1
145.06445	6.2
145.10114	5.8
147.08022	2.4
147.11656	6.3
155.11342	1.2
156.13155	1.2
157.10156	1.5
159.07936	2.0
159.11671	5.5
161.09622	11.2
161.13223	1.9
163.11241	4.5
171.11653	6.0
173.13274	6.0
175.11220	1.9
183.11713	2.8
185.09581	2.5
185.13260	2.8
187.11258	2.1
187.14821	1.6
189.12747	2.6
195.11642	1.7
197.13246	1.7
199.11205	2.5
199.14832	2.7
203.94366	1.3
209.13271	2.8
213.12767	2.6
215.14375	1.6
223.14880	2.6
225.16368	2.5
227.14253	6.5
241.15787	5.7
255.20982	2.0
265.19537	6.2
283.20554	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
52.28750	0.9
62.32649	1.1
67.05495	1.6
69.07053	1.5
81.03403	5.0
81.07045	6.2
84.30941	1.2
91.05476	1.2
93.07062	9.1
93.07530	1.2
95.04932	3.1
95.08598	9.5
98.22717	1.1
105.07018	6.0
105.32225	1.2
107.08595	11.1
109.10144	7.9
111.08021	1.2
119.08577	14.1
121.06540	1.8
121.10112	2.8
123.11684	2.8
131.08540	3.1
133.06494	1.5
133.10121	32.1
135.08058	12.9
135.11699	2.2
137.09602	2.4
143.08545	2.7
145.06471	2.8
145.10112	7.3
147.11664	6.5
149.09755	1.3
149.13246	1.4
155.08646	1.8
157.10094	7.0
159.08055	1.6
159.11649	7.9
161.09598	10.4
163.11148	4.9
171.11742	9.9
172.12386	1.4
175.14818	1.7
183.11650	1.7
185.13268	5.5
187.11099	1.8
187.14970	1.7
199.14835	2.7
201.12701	2.3
209.13304	1.9
213.12778	2.3
223.14697	4.6
225.16344	2.2
227.14243	5.6
240.15114	3.1
241.15794	3.1
255.21194	1.8
262.91687	1.3
265.19507	12.3
283.20547	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	283.2054
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
52.62649	0.9
53.23429	0.8
55.05500	1.4
67.05469	1.6
69.07066	1.6
73.72634	0.9
79.05463	2.3
81.07056	6.6
83.04967	1.6
83.08614	1.2
85.06508	1.6
85.33318	1.0
91.05486	1.9
93.07016	5.2
95.04948	1.4
95.08585	10.1
105.07008	6.4
107.08600	10.8
109.06535	0.9
109.10140	5.7
111.08051	1.5
117.07014	1.2
119.08585	7.6
121.02850	5.2
121.06528	1.5
121.10139	7.1
123.08048	1.2
123.11660	1.7
131.08521	3.9
133.10133	9.1
135.11650	3.7
137.05962	1.9
143.08540	5.1
145.10127	8.8
147.08029	2.1
147.11671	5.7
149.13257	1.3
155.08511	2.4
157.10106	7.7
159.08025	5.1
159.11687	8.9
161.09595	2.0
161.13268	1.7
163.11246	1.3
167.08456	1.1
169.10074	4.3
171.08167	1.2
171.11627	8.8
173.09549	2.0
173.13254	5.9
175.11136	2.4
181.10072	2.1
183.11658	6.4
185.09592	1.7
185.13226	5.2
187.11142	2.2
187.14856	1.0
189.12756	2.0
194.10919	1.6
195.11653	6.4
197.13208	2.3
199.11098	2.2
199.14896	6.9
201.12756	2.0
209.13182	6.1
211.14822	1.4
213.12823	3.5
223.11253	1.2
223.14807	6.2
225.16376	6.2
227.14268	5.0
237.16389	2.1
239.17906	1.9
241.15903	1.3
241.19360	1.9
255.10126	1.2
255.17377	1.8
255.21103	5.3
265.19470	15.1
268.07208	2.2
283.06265	1.1
283.09619	5.7
283.13300	5.6
283.16983	11.2
283.20520	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.37799	0.6
51.29029	0.8
51.37271	0.7
55.05507	1.2
57.07059	1.8
57.55213	0.8
67.05490	3.5
69.07048	3.6
73.73003	0.9
79.05471	1.3
81.03394	4.2
81.07049	8.4
83.08614	1.8
91.05464	3.7
93.07039	10.7
95.04941	2.2
95.08608	12.7
97.06525	1.5
97.10152	0.8
105.07018	5.9
107.07925	1.3
107.08595	16.7
109.06494	1.8
109.10143	10.1
111.08043	1.4
119.08592	12.6
119.09381	1.5
121.06449	1.3
121.10120	10.0
123.08100	1.2
123.11652	1.8
126.72632	0.9
128.06097	1.1
131.08539	3.7
133.10127	36.1
135.08046	14.1
135.11656	3.4
137.09618	1.6
143.08530	3.5
145.06473	5.2
145.10118	9.9
147.08026	1.4
147.11655	5.7
149.09650	0.9
149.13220	1.4
152.43474	1.0
153.13586	0.9
157.10092	4.7
159.08084	1.6
159.11644	5.5
161.09583	9.3
161.13208	1.6
163.11166	1.6
169.10156	1.9
171.11697	7.7
173.09616	1.6
173.13252	5.2
175.11217	1.9
181.10098	1.6
183.11713	3.7
185.09587	1.5
185.13274	3.7
187.11148	2.1
189.12659	1.5
195.11658	4.7
197.13260	2.2
199.11180	1.7
199.14850	6.2
201.12732	1.8
201.15900	1.0
208.12654	1.1
209.13251	5.2
211.14755	1.8
213.01929	1.0
213.12756	4.9
213.16292	1.5
215.14247	1.9
223.14714	4.3
225.16252	1.9
227.14223	4.0
237.16350	1.1
239.14290	1.2
239.18068	1.2
240.15041	2.0
241.08528	1.0
241.12216	1.0
241.15823	5.1
255.17389	1.0
255.21091	4.8
265.19452	7.3
283.06177	1.0
283.13266	7.4
283.17313	4.7
283.20526	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
51.71243	0.8
55.05515	1.6
57.07079	1.0
58.58654	0.8
67.05498	1.9
68.36977	0.7
69.07040	4.3
70.99200	0.8
79.05484	1.6
81.03410	3.4
81.07040	5.4
83.08627	1.2
89.69884	0.7
91.05458	1.8
93.07050	8.1
95.04959	3.2
95.08608	8.0
100.49621	0.8
105.07023	5.4
107.08590	13.3
109.10128	7.5
114.34939	0.8
117.07028	1.8
119.08573	10.4
121.06533	0.8
121.10146	6.5
123.11700	1.2
131.08553	3.4
133.06425	1.3
133.10117	18.2
135.08064	12.1
135.11658	3.4
137.09558	1.1
143.08542	1.5
145.06482	5.9
145.10118	5.6
147.08031	0.9
147.11690	4.3
149.09651	1.2
149.13237	1.5
154.11209	0.9
155.08636	1.0
157.10109	3.5
159.08032	1.3
159.11693	5.8
161.09612	4.6
161.13222	1.9
163.11206	1.7
169.09996	0.9
171.08090	1.3
171.11621	4.7
173.09628	1.4
173.13223	1.8
175.11189	1.8
175.14851	1.0
181.10144	1.3
183.11604	1.3
185.13194	3.4
187.11176	1.1
189.12804	1.7
194.45554	0.8
195.11674	1.3
197.13235	1.6
199.11137	4.0
199.14859	1.9
201.12737	4.3
209.13200	1.9
213.12723	3.4
213.16266	1.3
215.14305	1.4
223.14754	1.9
227.14328	7.3
235.25063	1.0
240.15067	1.5
240.82628	0.9
241.15860	5.3
255.17349	1.4
255.21078	3.6
265.19440	6.8
283.20544	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
52.60383	1.1
69.07065	4.5
70.67780	1.0
79.05502	1.4
81.03419	5.1
81.07047	4.1
83.08616	1.7
91.05444	1.4
93.07015	7.4
95.04959	4.8
95.08599	8.5
105.07002	6.6
107.08588	13.8
109.10143	6.8
119.08552	10.8
121.06446	1.2
121.10124	2.3
123.11710	1.5
131.08463	1.9
133.06465	1.6
133.10135	25.9
135.08047	18.2
137.09621	2.1
143.08611	1.4
145.06450	2.5
145.10086	6.0
147.07999	2.1
147.11655	7.0
149.13240	2.2
152.53877	1.1
157.10091	4.7
159.11641	2.8
161.09598	8.5
161.13148	1.7
163.11118	1.5
166.18137	1.2
171.11626	2.8
173.13260	4.5
175.11127	1.3
183.11697	2.5
185.09567	1.3
185.13281	2.6
187.11191	1.4
189.12749	2.7
195.11723	1.6
199.11169	1.5
199.14778	2.3
201.12679	2.1
209.13214	2.7
213.12761	1.2
215.14381	2.4
223.14742	1.9
225.16476	1.5
227.14294	5.2
240.15022	2.2
241.15778	5.0
253.15651	1.6
255.20996	1.6
265.19525	7.6
283.20532	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05503	1.1
55.30975	0.7
67.05492	1.8
69.07056	1.6
81.03414	3.7
81.07049	5.2
83.08601	1.6
91.05482	1.2
93.07056	6.8
95.04961	1.6
95.08603	6.0
104.35407	0.7
105.07011	4.3
107.08597	9.4
109.10144	5.7
117.06987	1.1
119.08602	8.4
121.10110	4.5
123.11697	1.2
131.08568	3.8
133.06470	1.3
133.10129	28.9
135.08047	10.0
135.11702	1.3
143.08578	1.4
145.06450	3.5
145.10104	6.9
147.08022	1.6
147.11655	4.9
149.09566	1.2
156.59854	0.9
157.10086	3.8
159.08125	1.2
159.11691	5.1
161.09608	4.5
161.13170	1.3
163.11208	3.1
169.10109	1.8
171.11620	3.2
173.09633	3.7
173.13229	3.5
175.11217	1.1
181.10199	0.9
183.11708	3.7
185.13228	1.7
187.11157	3.5
187.14771	1.0
189.12825	1.2
195.11679	1.0
197.13245	1.1
199.11250	1.8
199.14787	3.0
201.12758	1.8
209.13251	3.4
213.12779	1.8
213.16342	1.4
215.14323	1.5
223.14764	1.9
225.16402	0.9
227.14308	4.9
236.15742	0.7
239.14178	0.8
239.17883	1.7
240.15138	3.4
241.15848	4.6
247.06142	0.9
250.17149	0.9
255.17361	1.5
255.21112	3.5
265.19403	7.0
283.20563	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
52.15186	1.0
62.30512	1.1
67.05476	1.4
71.86734	1.4
75.12322	1.2
79.05458	1.5
81.07043	7.9
83.08596	1.6
91.05482	2.5
93.07058	9.5
95.04955	2.7
95.08594	7.4
105.07018	7.3
107.04920	1.6
107.07967	1.6
107.08595	16.0
109.06524	2.0
109.10135	6.7
117.07001	2.5
119.08568	12.6
121.10089	5.5
123.11663	1.7
126.27206	1.5
131.08546	5.1
133.06464	2.2
133.10127	35.8
133.11118	1.7
135.08047	15.5
135.11700	2.5
137.13179	1.3
143.08514	2.6
145.06430	1.5
145.10126	4.9
147.08032	2.9
147.11676	8.7
147.36250	1.3
157.10152	5.5
159.08099	1.9
159.11668	8.5
161.09581	7.0
163.11243	1.7
171.11647	6.7
173.09573	1.5
173.13208	6.4
175.11209	1.8
175.14755	2.5
185.13237	5.5
189.12755	2.1
197.13313	2.2
199.11153	2.4
199.14825	2.6
201.12718	3.2
209.13231	2.6
213.12640	2.3
215.14351	2.6
223.14807	2.3
227.14323	7.8
227.17824	1.6
240.15236	2.2
241.15857	8.6
253.15953	1.9
255.21095	3.0
265.19461	6.7
283.20541	100.0
286.08981	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	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05505	2.1
58.98232	1.0
67.05508	2.3
67.50586	1.0
69.07059	2.5
79.05470	1.9
81.07050	2.6
83.08623	2.8
91.05468	3.0
93.07029	6.1
95.08620	12.7
105.07010	5.4
107.04970	1.2
107.08587	6.8
109.06478	1.4
109.10146	4.5
119.08577	10.5
121.02865	1.8
121.06564	1.5
121.10126	2.9
123.11595	1.3
131.08556	5.5
133.10127	12.4
137.14651	1.3
143.08517	5.9
145.06406	1.3
145.10138	9.1
147.11691	1.9
155.08514	2.7
157.10161	8.9
159.11664	12.4
161.09619	2.4
161.13171	2.6
169.10133	5.1
171.11740	8.5
173.13237	5.9
181.10049	2.2
183.11656	10.6
183.92760	1.2
185.09554	1.8
185.13229	9.0
187.11166	6.0
187.14752	2.2
195.11699	4.6
197.13225	7.5
199.14827	6.2
201.12755	1.4
209.13205	9.2
211.14835	5.4
213.12669	5.2
213.16237	2.0
215.14247	1.5
223.14804	5.8
225.16469	2.7
227.14317	2.7
237.16270	1.8
239.17891	12.5
241.15886	11.7
241.19516	6.4
255.21017	7.3
265.19489	12.9
265.22028	1.7
283.09720	1.5
283.20560	100.0
284.25000	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	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.05505	1.3
55.82391	0.9
67.05489	2.3
69.07066	3.7
74.27508	0.8
77.26945	1.0
79.05477	1.8
81.07042	5.1
83.04983	1.0
83.08613	1.7
91.05481	2.0
93.07034	5.9
95.04954	1.9
95.08597	11.1
105.07021	7.0
107.08595	6.6
109.10143	2.2
119.08583	10.3
121.10144	5.9
123.08057	1.1
131.08542	6.5
133.10117	6.6
135.11684	2.4
143.08578	4.1
145.10120	10.5
149.09622	1.2
149.13268	1.3
155.08556	1.5
157.10109	9.9
159.11674	8.1
161.13231	1.9
163.11191	1.6
167.08508	1.2
169.10104	5.8
171.11725	6.5
173.13248	5.6
175.11209	1.3
181.10133	2.1
183.11650	7.9
185.09601	1.5
185.13292	8.8
187.11240	1.5
187.14803	4.4
189.12689	2.1
194.10886	1.1
195.11681	7.1
197.13248	7.2
199.11128	1.0
199.14816	5.9
209.13202	8.5
210.13959	1.5
211.14787	4.2
213.12811	1.4
213.16411	4.8
215.14349	1.2
223.14885	9.7
225.16354	5.7
227.14336	4.8
227.18091	1.0
236.15764	1.5
237.16301	4.2
239.17957	11.6
240.15247	1.1
241.15869	10.6
241.19501	5.4
255.17387	4.3
255.21078	5.0
265.19537	17.8
283.20547	100.0
302.76425	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	283.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51948	1.0
54.44600	1.2
55.05515	17.3
57.03434	1.5
57.07079	24.3
67.05485	9.6
69.07069	27.4
71.04993	2.0
71.08625	17.9
79.05476	6.5
80.61554	1.2
81.07064	23.0
83.04957	2.4
83.08626	26.0
85.06532	1.5
85.10172	8.4
91.05489	2.0
93.07037	17.8
95.08607	24.4
97.06515	7.7
97.10166	14.7
105.07040	13.4
105.15111	1.3
107.08588	19.5
109.10160	17.8
111.08049	2.7
111.11703	2.0
117.06991	1.7
119.08563	24.8
121.10118	25.1
121.74783	1.5
123.08051	1.5
123.11713	5.2
125.09592	5.5
129.07021	1.4
129.35855	1.2
131.08548	5.5
133.10129	18.7
135.08069	4.6
135.11667	14.2
139.11157	2.6
143.08563	7.5
145.10110	8.2
147.11662	8.6
149.09656	4.7
149.13263	9.5
153.12750	5.7
155.08617	2.0
157.10112	6.4
159.11678	6.4
161.09535	2.1
161.13248	3.0
163.14821	6.4
167.14352	2.1
169.10136	2.3
171.11688	9.5
173.09654	1.6
173.13223	2.6
175.11113	2.3
177.16408	3.0
181.15961	2.2
183.11652	5.7
185.13225	7.0
187.11232	1.3
189.12791	1.9
195.11694	4.9
197.13274	2.6
199.11136	2.6
199.14801	5.0
209.13266	7.2
211.14789	3.0
213.12750	2.4
213.16348	1.5
213.59712	1.4
214.13530	1.3
223.14781	6.1
225.16335	3.1
227.14291	5.4
239.17961	4.9
241.16048	1.7
247.24217	12.3
255.21004	7.2
265.19540	9.4
265.25351	10.7
283.20544	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.05577	0.2
57.30714	0.2
60.87596	0.2
64.24818	0.2
73.18379	0.2
88.86053	0.2
97.02913	0.3
104.70267	0.2
110.03518	0.5
135.03029	2.0
142.64078	0.2
152.05666	100.0
153.04059	1.7
190.08612	0.5
202.08638	1.1
202.32391	0.2
236.09239	0.3
238.10794	0.2
248.09253	0.3
284.11026	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	284.2948
Annotation	Stearamide
Peak:m/z	Relative Intensity
52.45788	0.7
57.07070	3.3
59.47831	0.8
60.08151	1.4
62.84595	0.7
71.08620	1.4
72.04527	0.7
95.51585	0.8
102.09161	1.1
104.06135	0.7
108.02578	0.7
115.19720	0.8
116.10732	3.7
124.49775	0.7
130.12314	1.6
133.03908	0.7
145.90390	0.8
147.57706	0.8
161.54213	0.8
170.60551	0.9
273.88129	0.8
284.16049	1.6
284.29492	100.0
284.33072	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2948
Annotation	Stearamide
Peak:m/z	Relative Intensity
54.76972	0.4
57.07080	1.0
58.38523	0.4
63.49259	0.4
66.47161	0.3
71.08630	0.7
72.04513	0.8
85.10173	0.5
86.44966	0.4
102.09163	0.9
106.53255	0.4
116.10715	2.4
129.32069	0.4
130.12267	0.8
235.98914	0.5
284.29474	100.0
308.20898	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	284.2949
Annotation	Stearamide
Peak:m/z	Relative Intensity
55.05517	6.8
56.05040	1.1
57.07072	4.9
60.04533	20.4
67.05521	11.9
69.07067	9.1
70.06581	1.9
71.04984	2.4
71.08632	1.2
79.05471	1.1
81.07064	14.5
83.08626	8.1
93.07056	2.1
95.08597	14.3
97.10149	4.6
100.13242	0.9
107.08607	1.5
109.10168	6.7
114.70987	0.9
117.07021	1.1
123.11675	1.9
132.69641	1.0
133.10097	4.1
134.10411	1.7
210.63910	1.2
254.28409	19.1
266.19571	1.1
266.28381	2.2
284.20770	23.7
284.29489	100.0
284.33032	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	284.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59084	2.7
54.74892	2.5
60.29285	2.4
60.33731	2.4
72.12769	3.4
84.54750	2.7
91.00698	2.6
94.93015	25.4
96.76079	2.9
136.93990	3.6
146.01466	3.1
148.93909	3.2
150.91937	39.0
150.95538	24.6
161.48370	2.8
176.93466	5.5
178.95045	3.7
190.95033	19.3
194.94600	23.8
214.94904	3.4
266.96719	11.8
284.94751	5.4
284.97720	100.0
307.54825	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	285.0968
Annotation	Helicid
Peak:m/z	Relative Intensity
50.88423	1.2
50.91827	1.4
54.80822	1.5
55.01872	1.7
57.03439	3.2
61.02925	10.7
62.90628	1.6
63.70153	1.9
69.03418	11.9
71.05000	2.1
73.02895	3.2
79.05482	14.8
81.03416	9.0
85.02902	100.0
87.04469	1.7
91.03947	7.1
92.18394	2.4
97.02896	18.1
99.04436	3.3
105.03381	6.5
105.07027	2.7
105.53782	1.6
109.02883	6.4
121.97909	1.8
123.04420	49.1
127.03907	20.2
128.73978	1.4
143.08539	2.8
145.04932	31.4
145.10074	1.7
147.04358	2.1
148.61282	1.7
155.08578	3.0
156.09297	1.7
157.10071	22.5
163.05966	3.3
169.10104	3.5
177.18080	1.8
182.10922	6.5
197.13174	8.6
207.11772	2.0
210.10449	2.1
225.12695	3.5
257.04324	6.9
267.06378	1.8
285.03906	28.9
285.07526	9.4
285.11850	2.6
285.14832	18.3
285.18469	6.7
285.22147	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	285.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16960	1.6
54.50039	1.7
60.08154	4.1
69.07061	2.1
72.97919	1.6
80.44092	1.8
84.39090	1.5
95.08582	1.9
98.98442	1.9
121.10117	2.3
139.57138	1.7
153.00348	2.1
163.07587	3.8
169.10030	1.7
171.01398	9.3
173.09592	2.1
197.13211	2.2
239.17944	2.8
267.17416	7.1
285.18472	25.4
285.22110	10.5
285.33438	100.0
285.36612	3.5
303.66415	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	285.1847
Annotation	1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
Peak:m/z	Relative Intensity
55.05502	1.1
58.06152	1.2
67.05486	1.8
69.03423	2.1
69.07057	1.8
79.05476	1.2
81.07049	6.1
82.74300	1.1
83.08599	2.3
83.77493	1.4
91.05486	2.0
93.07014	9.1
95.08598	7.5
97.06521	2.4
105.07021	11.8
107.08584	10.7
109.06483	5.3
109.10149	1.9
115.66028	1.2
117.26852	1.2
119.08588	6.8
121.06509	2.7
121.10131	11.8
123.08052	4.5
129.06944	1.4
131.05048	1.4
131.08571	5.0
133.10117	6.1
135.08063	6.4
135.11694	2.1
137.09587	4.7
143.08580	5.4
145.10161	2.9
147.08009	1.8
147.11693	5.6
149.09619	4.3
149.13304	1.4
155.08463	3.9
157.10101	6.5
159.08026	2.0
159.11685	6.7
163.07556	2.1
163.11166	2.4
169.10086	6.6
171.11635	4.7
173.09576	5.2
173.13222	1.7
175.11189	2.6
177.09122	2.3
177.12723	2.4
183.11688	9.7
185.13260	7.8
187.11166	2.6
191.10741	1.6
197.13275	7.6
199.11246	1.7
201.12759	5.7
207.11656	1.9
211.11201	1.5
211.14876	2.7
213.12709	3.0
224.15454	1.5
225.12720	4.6
225.16252	1.9
227.14461	1.4
229.12302	4.5
239.17924	6.2
249.16225	1.5
257.18954	4.7
267.17447	13.9
285.18500	100.0
285.21991	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	285.1849
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
55.05508	5.6
60.08277	1.3
62.11421	1.2
63.92848	1.2
67.05504	3.4
69.07047	7.7
69.22203	1.3
79.05495	5.2
81.07061	3.6
83.04955	6.4
83.08612	1.9
91.05482	2.3
93.07040	10.1
95.04955	2.3
95.08590	9.6
97.10150	8.4
99.04423	2.4
105.07051	10.3
107.08575	21.5
109.06506	3.1
109.10147	9.2
117.06997	2.8
119.08558	10.8
121.06479	5.2
121.10159	11.6
123.11678	6.9
131.08563	7.3
133.06487	7.3
133.10123	15.3
135.08047	8.8
135.11647	2.4
137.05927	3.4
137.09605	3.2
143.08542	7.1
145.10114	13.0
147.08040	3.5
147.11691	5.0
148.12535	2.5
149.09586	11.8
157.10138	6.9
159.08047	2.6
159.11694	12.3
161.09596	6.9
161.13298	2.8
163.07484	2.4
169.10127	7.1
171.11687	7.6
173.09583	3.2
173.13295	6.5
175.11166	3.4
177.09221	2.6
177.12807	2.7
179.10481	1.7
182.10902	2.4
183.11684	7.8
185.13271	3.3
187.11229	8.7
187.14815	8.7
189.09009	2.4
189.12737	6.6
195.11577	2.0
197.09590	2.1
197.13300	7.9
199.14738	2.4
201.12787	6.2
203.14214	1.8
209.13284	2.3
211.14804	2.7
215.10605	2.3
215.14235	2.7
221.06210	1.5
225.12773	2.3
225.16364	6.2
227.14290	1.8
229.12292	2.0
229.15826	1.8
239.17967	8.0
241.15874	1.7
243.13820	1.6
243.17293	2.1
253.08394	1.9
257.15079	1.6
257.18970	6.0
267.17383	12.6
285.18500	100.0
285.22021	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	285.1848
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
53.27922	0.6
54.30438	0.7
55.01854	1.1
55.05515	1.5
55.51156	0.7
57.07084	0.9
63.00056	0.9
63.72999	0.8
67.05498	4.7
69.03412	1.3
69.07080	7.2
79.05509	3.5
81.07057	10.4
83.04991	3.6
83.08638	1.9
91.05470	5.1
93.07052	10.4
95.04937	1.2
95.08617	7.0
97.06499	2.1
105.07043	9.7
107.04961	4.7
107.08590	10.3
109.06535	1.6
109.10138	5.8
111.08046	1.1
117.06973	1.5
119.08579	14.2
121.06502	4.8
121.10146	8.5
123.08041	3.8
123.11703	1.8
125.05971	4.1
129.06990	3.1
131.08585	5.7
133.10121	14.9
135.08041	6.7
135.11699	4.0
137.09586	3.2
141.06963	1.1
143.08569	6.7
144.09386	1.6
145.10126	13.9
147.08006	1.6
147.11681	10.9
149.13284	2.0
155.08531	10.9
156.09332	8.6
157.10094	14.3
159.11705	13.1
161.09634	4.6
161.13271	4.1
163.11279	1.4
169.10155	9.6
170.10863	2.0
171.11699	25.0
173.09607	5.0
173.13240	4.9
175.11200	1.3
175.14874	1.3
181.10091	1.6
182.10928	1.4
183.11717	16.1
185.09607	1.1
185.13239	6.6
187.11201	3.5
192.09326	1.3
193.10187	3.8
195.11725	1.4
196.12488	3.4
197.09567	1.4
197.13290	18.2
199.11153	1.8
199.14836	1.8
201.09225	1.2
201.12753	1.7
201.16432	1.4
207.11708	4.5
208.12434	1.3
209.13266	4.3
210.14040	1.3
211.11166	1.3
211.14804	9.9
212.15416	1.1
213.16350	7.4
215.14398	1.6
219.05882	0.9
219.11810	1.5
221.13341	1.1
223.14835	4.0
224.15659	1.8
225.12766	4.8
225.16356	7.2
227.14389	1.4
227.17888	1.7
229.15854	1.6
234.13985	2.1
237.12834	1.1
239.14299	1.4
239.17957	13.8
241.15894	4.1
243.13753	3.3
243.17380	2.0
249.16374	6.7
257.18921	4.8
267.17480	16.2
267.21036	7.2
285.11591	2.8
285.14966	6.9
285.18491	100.0
285.22046	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1848
Annotation	1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
Peak:m/z	Relative Intensity
50.16193	1.3
53.63165	1.3
55.05512	1.4
57.49780	1.1
57.55698	1.5
64.75510	1.4
67.05482	2.1
69.07057	8.9
75.77372	1.4
79.05503	1.7
81.07063	7.1
83.08591	1.5
93.07043	10.0
95.04936	3.3
95.08591	9.8
97.06530	3.4
99.84956	1.4
105.07038	9.5
107.08568	7.7
109.10159	6.9
111.08018	2.6
119.08573	8.0
121.06496	5.4
121.10143	3.4
123.11677	1.9
131.08531	3.5
133.06525	1.8
133.10162	13.2
134.10426	1.9
135.08092	3.6
135.11716	2.3
143.08577	5.6
145.10109	12.3
147.08054	5.8
147.11678	5.6
149.09544	2.2
155.08516	2.8
157.10098	3.0
159.11697	8.8
161.09624	1.8
161.13304	2.9
163.07527	11.4
169.10057	6.5
171.11678	6.7
173.09599	3.1
173.13251	2.8
183.11658	10.3
185.09628	2.2
185.13289	7.4
187.11148	2.0
197.13306	9.3
199.11214	7.7
199.14760	2.2
201.12805	1.8
213.16281	2.7
223.14880	2.1
225.12773	3.6
225.16354	7.6
227.14189	2.4
229.12238	6.4
239.17957	7.0
243.13795	1.9
249.16304	2.4
257.19089	2.9
258.47806	1.6
267.17432	15.0
267.20844	2.9
285.04080	2.3
285.18481	100.0
285.21881	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	285.1849
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
55.01859	1.8
55.05520	1.5
57.07074	1.5
61.16026	1.1
61.88375	1.1
69.07056	5.7
79.05515	2.3
81.07034	4.9
83.04985	1.4
83.08648	1.6
91.05460	4.7
93.07046	5.7
95.04919	1.7
95.08590	9.1
97.06522	4.9
97.23292	1.2
105.07020	8.9
107.08582	6.3
109.06492	1.9
109.10134	7.0
111.08074	1.9
114.91685	1.3
117.07037	2.3
119.08578	9.3
121.06493	6.8
121.10133	7.5
123.04406	7.0
123.08033	2.0
131.08566	2.9
133.06506	1.7
133.10135	9.6
135.08060	5.3
135.11719	1.6
145.06487	7.7
145.10080	9.6
147.08035	23.4
147.11670	6.7
149.09595	1.9
149.13234	1.7
155.08632	2.1
157.10164	6.7
159.08018	1.9
159.11691	7.6
161.09549	2.5
161.13271	1.7
163.07495	10.2
169.10126	3.2
171.11685	3.2
175.14700	1.5
181.10088	2.6
183.11684	8.7
185.13214	5.2
187.11189	5.2
187.14848	1.5
191.10712	1.5
195.11699	2.0
197.09552	2.2
197.13162	10.2
199.11165	1.8
201.12796	1.4
203.10489	1.8
209.13316	2.0
211.11221	2.2
211.14821	2.8
213.16411	2.3
215.10550	1.6
216.11639	1.3
223.14719	4.3
225.12668	2.3
225.16402	6.5
227.14316	2.7
229.12251	5.6
239.17953	5.2
241.15883	5.5
242.13016	1.6
243.13808	3.1
243.17485	2.1
248.18547	1.3
249.16307	2.0
267.17441	15.2
267.20853	5.3
285.15317	5.4
285.18497	100.0
285.21991	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	285.1846
Annotation	Androsta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
54.17129	1.3
55.05509	1.5
56.24199	1.3
57.03427	1.5
57.07078	1.6
58.21492	1.6
59.04980	1.4
59.67811	1.3
67.05514	3.3
69.07066	3.6
73.53817	1.5
79.05492	2.9
80.42039	1.6
81.07046	3.7
91.05461	3.1
93.07030	11.5
95.08590	10.2
97.06509	2.6
105.07047	9.4
107.08585	8.5
109.06520	2.9
109.10139	7.9
111.08057	1.8
117.07003	2.4
119.08606	13.8
121.06570	2.9
121.10114	11.9
123.08099	3.1
123.11681	2.2
129.07072	1.9
131.08531	8.5
133.06445	2.3
133.10146	11.8
135.08055	3.8
135.11684	2.1
137.09610	2.5
143.08556	3.8
145.10164	6.9
147.08038	7.2
147.11699	3.4
149.09593	3.3
151.07549	1.5
151.11235	2.9
155.08502	3.3
157.10121	10.0
159.08122	5.9
159.11667	11.3
161.09589	3.8
161.13197	3.3
169.10123	6.7
171.11661	7.6
173.09561	6.8
173.13246	7.1
175.11232	2.4
183.11662	8.6
185.09572	2.5
185.13148	2.8
187.11188	6.5
189.12740	6.9
193.10121	1.9
195.11668	3.5
197.13229	10.5
199.11124	3.3
199.14973	2.9
201.12802	2.2
209.13249	2.4
210.14015	2.0
211.11224	6.9
211.14806	3.5
215.14296	2.6
225.12776	3.6
225.16341	6.3
227.14276	2.6
229.12228	2.3
239.18021	7.0
243.14063	2.1
243.17216	2.0
257.18729	4.7
267.17377	10.5
267.21164	2.4
285.14923	15.7
285.18484	100.0
285.22037	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	285.1848
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
50.32862	1.0
56.49187	0.9
57.07093	1.5
60.08155	4.3
60.55218	1.0
62.51746	0.9
67.05471	1.5
67.17202	1.0
69.07075	10.9
69.07359	1.2
79.05506	1.5
81.07047	6.6
83.08605	2.7
85.22707	0.9
93.07020	5.3
95.04969	1.6
95.08612	4.0
97.06512	5.0
102.81025	1.0
103.02066	1.1
105.01232	1.1
105.07027	6.5
107.08613	8.6
109.06507	1.5
109.10155	4.9
111.08044	1.1
117.07011	2.6
119.08580	2.6
121.06494	6.7
121.10136	5.9
123.08038	1.2
123.11671	1.2
129.07010	1.3
131.08553	1.9
133.06459	2.2
133.10136	6.3
133.60136	1.0
135.08040	4.6
135.11700	2.0
137.09624	1.4
143.08499	2.2
145.06487	2.4
145.10081	5.5
147.08063	8.2
147.11670	4.3
149.09610	2.0
149.13158	1.3
155.08527	2.6
157.10094	6.4
159.08037	1.9
159.11700	7.4
161.05978	2.7
161.09613	4.7
162.02525	1.0
163.06166	1.3
163.07529	37.8
165.09131	1.5
169.10132	4.6
171.11694	5.1
173.05978	5.8
173.09634	2.0
173.13286	1.6
175.11185	2.2
183.11699	7.7
185.13254	1.5
187.11230	2.0
189.09317	1.3
197.13254	6.0
199.11206	4.4
199.14848	1.3
201.12773	2.2
207.11642	1.8
211.11182	1.3
211.14841	2.4
213.12880	1.7
215.10823	1.2
215.14314	1.6
225.12708	2.2
225.16379	4.3
227.14282	1.6
229.12320	9.4
229.19142	1.2
239.14302	1.2
239.17982	8.0
241.15843	1.4
243.13824	2.2
249.16498	2.2
257.19116	2.0
267.17386	13.3
285.18497	100.0
285.21802	4.3
285.33447	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Angustanal
Peak:m/z	Relative Intensity
67.05502	4.8
69.07056	4.2
77.69156	2.7
79.05492	3.7
81.07040	12.5
86.36672	3.3
91.05435	4.0
91.17264	2.8
92.18568	6.8
93.07043	15.5
95.08605	20.6
105.07027	12.6
107.08578	19.6
109.10155	24.5
112.01112	3.5
117.06993	3.6
119.08554	18.6
121.06488	5.0
121.10128	20.9
129.06976	3.4
131.08563	5.9
133.10129	14.6
135.11653	4.7
139.25844	3.6
141.07082	2.9
143.08623	3.0
145.10138	12.8
145.88441	2.7
147.08086	4.9
147.11664	6.5
148.91829	3.5
149.13306	3.5
150.30191	3.0
155.08521	3.8
157.10172	12.7
159.11696	16.1
161.13260	7.3
167.68230	3.5
169.10127	7.0
171.11604	4.1
173.09583	5.9
173.13226	5.6
175.11179	3.9
183.11708	5.9
185.09521	3.8
185.13197	4.9
185.94482	2.8
189.12785	3.5
197.13258	13.4
199.14709	3.9
201.12628	4.2
211.14836	3.7
213.16356	3.5
215.14346	4.6
225.16261	4.4
227.17888	5.0
229.15857	5.8
235.64383	3.7
241.15788	3.6
257.18933	3.6
267.17377	5.5
267.21097	17.8
285.14999	12.9
285.18497	44.1
285.22037	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	285.221
Annotation	Pisiferin
Peak:m/z	Relative Intensity
52.01273	1.2
55.05497	8.3
57.07074	1.9
67.05467	2.1
69.07072	11.5
81.07040	8.4
83.08604	9.3
86.61903	1.3
91.05470	1.5
93.07021	2.3
95.08598	8.6
96.08895	1.6
97.10139	2.9
104.29463	1.3
105.07000	1.6
107.08556	5.2
109.10150	3.3
110.27419	1.5
111.11700	1.3
119.08566	2.8
121.10120	2.5
123.08072	1.3
123.11655	2.8
124.12705	1.4
131.08553	2.7
133.10075	3.0
134.10400	1.7
135.11685	1.4
145.06435	5.7
145.10120	6.3
147.08003	6.5
147.11633	2.9
149.09607	11.7
155.08519	2.5
159.07996	8.7
159.11682	6.1
161.09583	3.1
161.13144	1.9
171.11693	3.1
173.09573	9.2
173.13324	1.5
175.11168	14.5
183.11671	3.0
185.09721	2.1
185.13264	1.8
187.11124	14.9
187.14781	2.0
189.12735	32.6
197.13313	2.3
201.09085	65.7
201.12732	42.0
203.14302	6.4
215.14328	15.3
228.07675	3.1
229.08586	2.7
229.15923	9.7
239.98186	1.3
243.10149	2.3
243.13858	11.7
243.17461	10.9
267.20993	6.3
270.12292	2.3
285.14923	46.8
285.18292	10.5
285.22031	100.0
285.29803	13.3
285.33365	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	285.2211
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
53.55787	0.9
55.05483	1.3
61.57274	1.2
67.05502	1.5
69.07050	7.1
78.00575	1.1
79.05482	2.6
81.07055	10.7
83.08647	1.0
84.44738	0.9
93.07023	5.3
95.08590	11.6
105.07040	10.1
107.08585	8.7
109.10149	8.7
119.08588	9.1
121.10110	9.4
123.11680	2.7
131.08553	2.5
133.06517	1.4
133.10136	22.9
135.08023	1.3
135.11659	1.8
137.09622	1.6
143.08543	2.5
145.10114	10.8
147.11697	9.2
147.12701	1.3
155.08447	1.6
157.10146	5.2
159.08049	1.5
159.11684	8.7
161.05952	7.6
161.13287	7.3
165.06993	4.3
169.10161	1.4
171.11642	5.0
173.13216	7.6
175.11212	1.2
175.14824	1.9
177.12704	1.4
183.11696	4.2
185.13237	4.6
187.14815	10.7
193.06381	4.2
197.13261	5.0
199.14853	2.4
201.16393	4.3
210.06651	1.8
211.14818	6.3
213.16440	2.1
215.14308	8.9
217.15814	1.4
221.05975	13.7
225.09087	17.4
225.16302	1.6
227.18044	5.1
229.15872	9.2
238.06279	1.5
239.17877	1.8
241.19479	4.4
243.21036	9.2
249.02776	1.4
253.08539	46.1
257.22623	5.0
267.21060	11.6
285.08087	1.8
285.11212	21.2
285.22104	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05508	1.1
57.25514	0.9
58.32163	1.0
65.17476	1.0
65.17838	0.9
67.05492	4.5
69.07074	1.5
74.98881	0.9
79.05486	1.2
80.37000	1.0
81.07041	6.3
83.08603	1.4
86.52143	1.0
87.07602	1.0
88.24727	1.1
90.83073	1.0
91.05445	1.9
93.07066	8.0
93.80775	1.0
95.08598	10.4
105.07015	7.7
107.08590	10.2
109.10139	9.2
119.08564	8.7
121.10123	6.5
123.11681	5.3
131.08548	6.5
133.10112	10.1
135.11705	5.1
143.08530	2.0
145.10109	16.6
147.11673	11.6
149.09605	2.0
155.77287	1.2
157.10085	6.4
159.11661	9.7
161.13234	2.6
163.11154	1.2
169.10167	2.3
171.11668	4.6
173.13246	12.6
175.11163	9.8
177.12614	1.4
183.11629	1.8
185.13228	5.3
187.14812	1.7
189.12758	5.2
197.13242	4.8
199.14809	1.9
201.12769	1.2
201.16388	2.2
211.14787	7.0
225.16273	2.5
227.17897	2.1
239.17911	2.4
248.19116	1.1
255.20898	1.2
257.22540	1.8
267.21048	18.8
275.06201	1.0
285.18594	3.7
285.22086	100.0
285.29898	4.0
285.33194	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	285.2211
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
53.09542	1.3
55.70747	1.2
59.05399	1.1
63.35683	1.1
67.05492	1.6
69.03414	2.0
69.07058	3.0
70.38300	1.1
79.53965	1.2
81.07059	2.8
92.18512	2.5
93.07054	14.7
95.08621	12.9
103.73593	1.5
105.07008	6.7
107.08595	27.2
109.10149	10.1
119.08600	10.0
121.06547	1.8
121.10129	14.4
123.08033	1.7
123.11671	6.0
125.09611	1.7
131.08524	1.5
133.10141	11.8
135.11671	7.2
139.96286	1.3
143.08572	1.7
144.72301	1.4
145.06458	1.6
145.10156	9.2
147.11711	13.7
149.13260	5.4
151.11119	1.4
157.10083	2.1
159.11676	26.2
161.13261	15.2
163.11230	1.5
171.11658	1.6
173.13213	2.7
175.11145	10.2
177.12769	3.3
187.14804	2.3
192.23659	1.4
197.13327	2.1
199.14752	1.7
201.16322	1.3
211.14842	5.1
213.16347	1.7
215.14299	7.6
227.17940	2.2
229.15941	1.7
239.17990	1.7
241.19431	1.9
243.17215	1.9
243.21045	5.5
248.22643	1.3
255.43790	1.2
257.22452	2.2
267.18643	1.9
267.21085	15.7
285.18875	3.6
285.22101	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05494	2.5
67.05489	3.3
69.07061	2.8
79.05448	1.7
81.07037	7.6
86.61304	1.6
91.05464	6.3
93.07043	12.0
95.04913	2.4
95.08618	16.4
96.27838	1.6
102.15689	1.6
105.07031	15.9
105.97777	2.1
106.43808	1.8
107.08611	11.5
109.10143	10.3
119.08569	11.1
121.10133	11.3
123.11675	2.6
131.08514	8.1
133.10144	14.3
135.08055	2.3
135.11653	6.2
137.53979	1.8
143.08522	8.2
145.10135	17.8
147.11656	11.8
149.13205	2.6
155.08572	2.4
157.10071	11.3
159.11705	14.3
161.13249	10.3
169.10088	6.3
171.11684	11.1
173.13274	15.9
175.11160	2.5
183.11644	6.7
185.13313	3.6
187.14812	7.3
189.12747	3.4
197.13243	8.1
199.14745	6.8
201.12909	2.3
201.16333	3.3
211.11311	1.6
211.14763	16.1
225.12662	2.1
225.16408	4.0
227.18010	3.9
239.17853	2.5
241.19214	2.0
257.22653	7.8
267.21051	50.8
285.14880	9.6
285.22113	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	285.2211
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05507	2.2
56.96565	2.3
57.07064	2.2
63.61605	1.3
67.05491	2.7
69.03426	1.8
69.07061	7.3
72.47177	1.6
81.07041	7.3
83.05000	1.6
83.08611	2.5
91.05472	1.9
93.07030	10.7
95.08595	23.8
98.97581	2.4
98.98377	2.1
105.07021	12.8
105.30055	1.3
107.08614	10.4
109.10133	13.4
119.08582	32.9
121.10134	13.7
123.08012	1.6
123.11703	2.1
131.08580	3.4
133.10101	13.6
135.08113	1.6
135.11714	5.8
137.09604	2.2
139.11172	6.8
143.08572	8.3
145.10106	18.2
147.11678	11.5
149.09593	2.1
149.13248	1.9
155.08571	3.4
156.47006	1.6
157.10123	9.9
159.11653	15.3
161.09612	2.0
161.13190	3.4
163.11122	5.6
166.42555	1.3
169.10123	6.5
171.11691	7.8
173.13208	12.0
175.11180	2.6
175.14786	1.6
177.12738	2.7
179.02180	2.2
183.11732	7.4
185.13271	7.4
187.11108	1.8
187.14828	7.8
191.14360	1.7
197.13281	8.0
199.14807	3.2
201.12654	2.4
201.16368	3.4
203.02342	1.6
211.14777	7.8
213.16447	2.6
215.14267	2.1
225.12761	1.9
225.16331	6.1
227.17941	3.2
229.15829	3.5
241.19641	5.7
243.17366	1.7
257.22534	2.0
267.21021	21.4
285.03973	3.5
285.15067	2.6
285.22107	100.0
285.33380	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	285.2213
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
57.07070	0.7
66.96322	0.7
67.05492	2.9
69.02142	0.6
69.07057	2.8
79.05468	1.0
81.07051	2.9
83.08611	2.7
93.07043	1.5
95.00686	0.7
95.08610	8.5
105.07021	3.5
107.08585	6.5
109.06423	0.9
109.10148	23.9
113.09624	5.5
113.83290	0.7
117.07011	0.9
119.08567	4.8
121.10141	11.1
123.11694	3.7
131.08519	1.3
133.10083	3.7
135.11737	5.1
135.12813	0.7
137.09610	4.1
143.08524	1.4
145.10112	12.0
147.11681	13.1
149.13295	2.5
157.10118	1.3
159.11685	13.3
161.13239	4.0
163.11172	4.2
165.12743	1.1
169.10101	1.5
171.11723	1.2
173.13272	7.6
175.11157	24.3
177.12715	1.7
179.34326	0.7
183.11647	1.2
185.13252	4.0
187.14856	6.1
189.12712	1.0
197.13249	5.5
199.14825	7.0
201.12686	0.9
201.16388	2.9
211.14839	8.3
213.16414	2.6
215.14355	1.2
224.15524	0.7
225.16347	3.2
227.17940	4.5
229.15813	4.6
239.17938	1.4
243.21045	7.7
257.22629	7.2
267.21045	29.1
285.18616	4.6
285.22110	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
60.08165	2.1
67.05492	11.2
71.08639	17.2
72.73562	1.9
78.86021	2.4
79.05496	3.4
79.72000	2.2
80.39079	1.9
81.07048	13.4
83.32475	1.9
91.05479	4.3
93.07034	4.2
97.06511	8.9
99.08087	11.5
101.01554	2.4
105.07018	5.2
109.10158	4.9
117.06995	2.3
119.08574	8.5
121.10117	3.0
129.07001	10.9
131.08542	23.1
133.10138	3.1
143.08571	11.8
145.10118	13.3
147.08096	2.6
147.11662	3.7
155.08577	2.7
159.11690	8.6
169.10144	8.9
171.11678	100.0
183.11679	11.2
185.13278	10.2
187.11057	2.5
187.14818	3.3
189.16374	3.6
191.14484	2.1
197.13252	13.6
201.12654	2.7
201.16446	18.0
203.14465	2.4
211.14812	10.2
267.21088	29.4
285.18936	3.1
285.22098	80.9
285.33466	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.57811	0.8
55.05511	1.4
57.07056	1.0
67.05479	1.6
69.07058	9.5
79.05463	2.0
79.80502	1.0
81.07040	6.8
83.08595	2.6
85.32099	1.1
91.05461	4.5
93.07035	8.4
95.04914	1.1
95.08598	10.1
97.06518	1.0
105.06997	6.9
107.04922	1.5
107.08587	7.8
109.06474	1.4
109.10126	7.1
119.07771	1.0
119.08523	7.7
121.06515	1.2
121.10104	7.8
123.11662	2.3
131.08542	4.6
133.10127	23.2
135.11699	1.3
137.09554	1.5
143.08554	1.6
145.10117	8.2
147.08015	2.5
147.11708	8.2
149.09599	1.2
149.13136	1.1
155.08549	2.4
157.10085	5.4
159.08023	4.1
159.11729	9.7
161.05928	1.8
161.13263	2.6
165.06865	1.9
169.10100	2.4
171.11646	5.5
173.09532	1.8
173.13243	9.6
175.11250	1.1
175.14832	2.1
183.11644	5.0
185.13232	6.2
187.14784	19.0
192.09297	1.3
193.06508	1.8
197.13246	6.5
199.14838	2.4
201.16342	4.7
203.14294	2.1
204.07813	1.1
207.11719	1.3
210.06754	1.2
211.14789	5.2
213.16299	1.2
215.10440	1.0
215.14313	11.2
215.18002	1.2
221.06020	5.1
225.09044	8.8
225.12555	1.3
225.16283	1.8
227.17821	4.4
229.15886	14.6
239.17950	1.3
241.19557	1.3
243.21078	11.3
253.08591	7.9
257.22607	4.0
267.21066	14.4
270.05762	1.0
285.07581	4.6
285.11151	14.1
285.14777	5.0
285.18497	13.4
285.22055	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	286.1072
Annotation	Stauranthine
Peak:m/z	Relative Intensity
53.03941	0.8
77.03925	2.3
79.05502	4.0
91.05480	15.3
92.17806	1.1
95.04963	3.7
105.03392	100.0
118.06535	1.0
119.04936	3.3
122.06023	41.2
136.07574	1.3
211.59236	0.5
240.10139	2.2
257.83926	0.6
269.08105	0.6
274.57538	0.6
286.10770	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	286.1072
Annotation	Stauranthine
Peak:m/z	Relative Intensity
50.57966	0.4
52.12468	0.4
53.03939	0.4
53.92252	0.4
55.16174	0.4
76.07687	0.4
77.03932	2.1
79.05482	3.6
91.05473	16.0
92.18521	0.9
94.92915	0.5
95.04963	3.7
101.09013	0.4
101.88152	0.5
105.03391	100.0
106.06582	0.7
106.20203	0.5
118.06534	2.9
119.04971	4.6
122.06020	42.5
136.07568	1.0
188.30678	0.5
240.10246	2.3
244.67578	0.5
269.08121	0.8
286.10614	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	286.1073
Annotation	Stauranthine
Peak:m/z	Relative Intensity
60.08873	0.4
60.26264	0.4
72.46524	0.4
72.55463	0.4
77.03935	0.7
77.83968	0.4
79.05488	2.8
81.74879	0.4
91.05478	13.9
95.04967	3.9
103.05487	0.5
105.03392	100.0
106.06574	1.0
118.06548	2.1
119.04948	5.1
122.06022	40.6
136.07620	1.4
147.04495	0.7
169.65880	0.4
231.78938	0.4
240.10144	3.0
258.96820	0.5
266.35825	0.4
269.08102	0.6
286.10800	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	286.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.80596	0.4
61.23047	0.3
77.03925	1.3
79.05495	4.4
81.16118	0.3
91.05476	16.2
95.04971	4.3
105.03391	100.0
106.06557	0.7
118.06534	2.2
119.04919	4.5
122.06020	44.0
123.04511	0.4
124.03941	1.9
136.07590	1.9
147.04401	0.4
160.14629	0.4
164.71864	0.4
240.10197	2.4
269.08047	0.6
270.24512	0.4
286.10846	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	286.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
61.02695	0.5
69.36253	0.4
72.87106	0.5
77.03944	0.7
79.05492	4.1
91.05477	15.5
95.04987	3.6
100.18573	0.5
104.49747	0.5
105.03395	100.0
106.06558	0.6
118.06528	2.3
119.04952	3.2
122.06027	43.1
136.07623	1.7
155.72908	0.5
196.00748	0.5
212.15303	0.7
240.10257	2.7
244.21188	0.5
286.10843	3.5
286.19070	0.9
286.22540	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	53.9
71.08035	0.5
75.70753	0.4
81.03392	0.5
84.08143	10.7
85.02879	2.1
88.53324	0.5
97.02899	0.9
97.63533	0.4
101.10757	0.7
105.03342	0.5
106.06522	0.5
112.07600	100.0
112.40166	0.6
119.03369	0.6
123.40734	0.5
124.03948	62.7
124.07572	9.5
127.03885	0.5
129.10245	2.3
137.19565	0.5
140.07066	26.1
152.05653	2.6
153.05949	0.8
174.38580	0.6
185.09207	0.8
244.16615	0.7
268.16519	1.1
275.00494	0.5
286.09250	21.0
286.12720	2.2
286.17590	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	7.8
62.06087	10.3
63.78611	0.7
71.08627	2.0
79.05488	4.2
83.04850	1.0
85.10155	1.8
91.05488	10.7
95.04967	2.2
105.03394	78.4
106.06519	1.4
119.04960	2.0
122.06029	32.9
134.10472	1.0
136.07545	1.2
138.87660	0.9
156.28477	1.1
174.18555	2.1
209.89124	1.0
212.23700	17.9
223.01019	0.8
230.24789	82.7
240.10217	1.3
286.10751	1.6
286.22571	8.6
286.31021	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	286.993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19013	2.3
78.45835	2.5
86.03684	5.8
92.22844	2.5
94.92995	10.4
109.02856	2.5
136.94019	35.5
144.68398	2.6
150.95581	70.6
166.95093	3.4
174.38893	2.5
176.93501	100.0
178.95078	31.0
185.02963	3.1
188.93489	4.2
206.07036	2.7
212.85147	4.4
215.07690	6.0
228.06322	2.7
231.30531	2.5
236.95490	4.3
253.07709	3.3
260.00052	3.0
268.98273	17.9
276.06802	3.8
277.07574	3.0
286.97003	3.2
286.99249	15.6
302.66232	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.98868	0.2
58.38195	0.2
63.36963	0.2
68.90816	0.2
68.99789	0.3
74.41124	0.2
81.56282	0.2
84.43746	0.2
93.07086	0.2
95.08588	0.3
102.52953	0.2
111.00826	0.4
112.50962	0.2
119.08590	0.4
121.02850	2.0
121.10090	0.3
133.02855	0.3
137.02328	0.3
153.01826	2.9
159.11713	0.3
164.61670	0.2
165.01823	2.1
183.02887	1.0
183.58522	0.2
185.06012	0.3
189.05339	0.3
213.05435	1.3
231.06493	0.5
241.04984	1.0
258.05231	1.2
262.66336	0.3
287.05475	100.0
287.23492	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02361	0.2
78.16249	0.2
81.17953	0.2
83.39766	0.2
90.99030	0.2
91.05477	0.5
92.18551	0.3
95.04947	1.5
95.40782	0.3
107.04948	7.7
107.45835	0.3
109.06474	0.4
116.64428	0.3
119.04939	21.6
119.08579	0.3
121.02863	0.4
123.04427	3.3
133.06488	1.2
135.04398	1.1
137.05969	2.2
141.05457	1.0
145.06479	1.0
147.04399	11.9
153.01830	2.2
153.05455	1.5
153.06805	0.3
157.10371	0.3
161.06000	1.3
163.03877	3.3
165.05461	3.6
171.04367	0.4
181.05052	0.4
181.06497	1.0
189.05444	0.5
193.05013	0.3
201.33681	0.3
213.09102	1.7
227.06969	1.1
229.08604	4.9
239.07033	0.5
241.08638	3.0
242.05739	1.1
256.07535	0.4
257.07935	2.4
259.09613	2.3
269.08069	3.8
287.05511	100.0
287.09018	10.1
287.12442	3.2
287.23676	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.94828	0.2
53.50189	0.2
81.44344	0.2
94.98420	0.2
111.00804	0.3
121.02864	2.5
131.00131	0.3
133.02872	0.5
137.02380	0.4
138.95593	0.2
139.88480	0.2
153.01811	2.9
165.01814	2.4
183.02838	0.4
213.05455	1.2
231.06528	0.3
236.08191	0.2
241.04909	0.9
258.05206	1.0
259.05841	0.3
287.05481	100.0
303.93198	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21115	0.2
57.33809	0.2
58.97400	0.2
59.36157	0.2
59.97713	0.2
64.97962	0.2
69.79571	0.2
81.99194	0.2
84.07466	0.2
87.04194	0.2
111.00784	0.3
121.02844	1.8
147.04411	0.3
153.01831	2.8
165.01836	2.1
183.02864	0.5
203.03473	0.2
213.05377	0.5
214.03580	0.3
231.06577	1.0
241.05043	0.3
258.05154	0.6
258.28284	0.3
287.05472	100.0
290.46371	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.00681	0.2
68.55148	0.3
68.99780	0.3
75.82016	0.2
111.00766	0.6
120.21075	0.3
121.02845	1.4
135.87659	0.3
141.80458	0.3
150.13882	0.4
153.01834	2.3
165.01794	1.9
168.06627	0.3
183.02928	0.5
213.05376	0.5
231.06609	0.5
241.04868	0.5
258.05249	1.5
259.06076	0.4
287.05487	100.0
293.33966	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	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35184	0.7
55.40065	0.8
62.08477	0.7
66.81213	0.8
68.99783	2.0
93.33236	0.9
101.72469	0.9
107.04946	3.6
111.00777	3.8
118.17484	0.9
124.03920	4.0
125.04317	7.5
137.76772	0.9
147.04358	1.2
175.03905	5.0
177.05406	1.2
189.05457	1.5
194.93427	0.8
196.12941	1.0
199.03880	4.9
201.05501	1.3
203.03371	6.3
213.05450	0.9
217.05026	1.7
227.03355	1.0
241.04840	2.2
245.04395	4.3
247.37283	0.9
269.04391	1.9
287.05716	27.8
287.10986	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	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92905	0.7
53.03953	0.8
59.25689	0.7
76.52112	0.8
79.05491	4.1
80.05822	4.0
82.34042	0.8
87.50046	0.8
91.05461	14.1
92.05810	10.7
93.07061	1.7
95.04919	2.1
95.08600	1.3
96.05265	1.7
105.03383	100.0
105.04504	3.1
105.76128	0.9
106.03715	69.7
118.06567	1.1
119.04929	3.5
119.06850	0.9
120.05254	1.3
122.06007	44.7
122.06885	1.8
123.05522	1.1
123.06354	27.5
133.10011	1.0
137.07906	1.1
210.02083	0.9
241.10417	2.2
287.05505	5.7
287.11084	5.2
287.23749	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	287.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47987	1.1
79.05488	2.7
80.05827	2.0
91.05479	14.4
92.05824	10.6
95.04932	4.2
103.44910	1.2
105.03392	100.0
106.03722	78.8
106.06528	1.4
119.04897	2.3
120.05283	5.1
122.06028	51.1
123.05529	1.4
123.06364	33.3
136.07542	1.3
137.07907	1.8
138.27525	1.2
157.27936	1.2
179.17134	1.3
203.45534	1.5
213.64488	1.3
241.10487	7.1
277.84274	1.2
287.05539	2.5
287.11078	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	287.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09138	0.4
68.99799	0.7
69.03400	0.5
81.07044	1.1
91.05446	0.5
95.08596	0.8
105.03369	2.0
105.06996	1.2
106.03719	0.9
107.04923	2.2
109.06513	0.9
111.00774	1.2
119.04937	1.8
121.02843	0.8
121.06492	2.7
122.06033	0.6
123.06277	0.5
125.06025	0.8
131.04918	0.6
135.08034	2.4
137.05962	5.1
143.06984	0.6
147.04396	2.4
149.05962	4.4
151.07567	3.5
153.01768	2.2
163.03777	0.6
163.07506	5.4
165.01727	0.6
167.08528	7.1
175.03964	2.1
195.08038	14.6
197.06020	0.5
203.03384	13.7
209.09587	1.0
212.08275	2.6
213.05443	0.6
223.07518	4.7
226.10014	0.5
227.10655	16.3
231.06569	0.8
233.74907	0.5
245.04390	0.7
255.10132	10.1
256.10858	0.7
258.05347	0.7
269.11829	0.6
272.61993	0.5
278.55566	0.6
287.05484	100.0
287.12515	11.1
287.20001	2.6
287.23071	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	287.1279
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
55.01876	0.7
62.49033	0.5
63.98847	0.5
67.05492	1.2
68.99798	0.5
69.03432	2.0
69.07061	1.1
71.04988	0.6
79.05508	1.0
81.07063	2.4
83.04965	0.8
83.82238	0.5
85.06537	0.8
86.02427	0.5
86.03796	0.5
91.05470	2.1
93.07030	1.1
95.04966	2.8
95.08607	2.6
97.06516	1.1
97.10166	0.6
97.16010	0.5
103.05466	1.0
105.07029	3.8
107.04955	5.3
107.08598	2.7
109.06493	3.6
109.10123	1.2
111.00793	0.9
111.04399	1.1
111.08035	0.5
119.04939	10.9
119.08562	2.0
121.02876	2.9
121.06492	5.8
121.10120	2.0
123.04420	36.2
123.08019	1.0
123.11699	0.6
125.02354	4.8
125.05990	2.7
127.03872	0.6
131.04932	2.9
131.08582	0.6
133.06497	2.0
133.10139	0.9
135.04404	4.1
135.08051	5.2
135.11714	0.9
137.05962	14.3
141.05447	1.0
141.07068	0.5
143.04965	0.9
143.07057	1.9
143.08543	0.5
145.06488	1.0
145.10126	0.9
147.04395	13.1
147.11722	0.8
148.05173	1.0
149.05960	9.8
151.07539	8.7
152.06178	0.9
153.01868	2.4
153.05437	2.3
157.06491	0.8
157.10182	0.7
159.08064	0.7
159.11665	2.4
161.05962	2.6
162.87578	0.5
163.03908	6.9
163.07518	13.0
164.08107	0.5
165.01854	0.9
165.05464	6.4
165.07016	2.3
165.09053	1.1
166.07753	1.2
167.08539	16.1
169.10109	0.9
171.04396	0.6
171.07928	0.6
171.11725	1.1
173.13237	1.1
175.03951	0.5
175.07541	0.7
177.05458	3.2
177.06900	0.8
177.09012	0.6
181.06474	2.9
181.10126	2.1
185.13266	1.2
189.05486	5.4
193.04913	2.1
194.07410	0.7
195.08052	29.6
196.08847	1.1
197.05977	2.2
198.06648	0.6
199.07616	2.3
199.11180	0.6
203.03397	0.8
208.63277	0.6
209.06000	0.6
209.09581	3.6
211.07582	0.7
212.08307	4.8
213.05466	1.0
213.09048	1.1
213.12685	0.6
217.04984	0.5
222.06671	0.8
223.07530	10.8
224.08485	0.6
227.07065	2.6
227.10654	36.1
229.08643	4.0
231.06418	0.8
237.05354	0.7
237.09145	1.1
239.06914	0.7
240.07764	2.7
241.04927	1.0
241.08621	2.8
245.08156	1.6
255.06418	0.7
255.06934	0.7
255.10123	24.4
256.10916	0.8
257.08020	1.8
259.09653	3.3
269.04697	0.7
269.08102	5.0
269.11578	2.1
269.19006	0.9
272.10291	0.7
287.05515	100.0
287.09113	29.1
287.12729	27.9
287.16312	4.2
287.19949	5.2
287.23538	2.7
300.51300	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	287.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09138	0.4
68.99799	0.7
69.03400	0.5
81.07044	1.1
91.05446	0.5
95.08596	0.8
105.03369	2.0
105.06996	1.2
106.03719	0.9
107.04923	2.2
109.06513	0.9
111.00774	1.2
119.04937	1.8
121.02843	0.8
121.06492	2.7
122.06033	0.6
123.06277	0.5
125.06025	0.8
131.04918	0.6
135.08034	2.4
137.05962	5.1
143.06984	0.6
147.04396	2.4
149.05962	4.4
151.07567	3.5
153.01768	2.2
163.03777	0.6
163.07506	5.4
165.01727	0.6
167.08528	7.1
175.03964	2.1
195.08038	14.6
197.06020	0.5
203.03384	13.7
209.09587	1.0
212.08275	2.6
213.05443	0.6
223.07518	4.7
226.10014	0.5
227.10655	16.3
231.06569	0.8
233.74907	0.5
245.04390	0.7
255.10132	10.1
256.10858	0.7
258.05347	0.7
269.11829	0.6
272.61993	0.5
278.55566	0.6
287.05484	100.0
287.12515	11.1
287.20001	2.6
287.23071	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	287.2007
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
55.05528	1.1
57.07061	0.8
69.07056	3.8
81.07056	7.9
93.07035	3.6
95.04968	1.7
95.08591	2.1
97.06512	1.6
97.75700	0.9
105.03382	1.4
107.08595	3.9
107.82343	1.0
109.06497	4.1
109.10143	1.9
111.08088	1.0
119.04882	2.0
119.08540	3.9
121.10138	1.9
123.08061	1.1
123.11720	1.1
125.09618	6.4
127.07565	1.2
133.10118	3.5
135.08038	1.6
137.09627	15.9
143.08560	2.2
147.11700	1.0
149.09657	5.2
151.10051	1.7
151.11176	32.3
154.07813	0.9
157.10100	4.3
159.08025	1.3
163.11162	3.9
171.11691	3.6
175.11145	6.3
177.12685	1.5
178.99931	1.1
185.09540	1.0
185.13213	4.4
187.11235	4.4
188.08362	1.1
189.12755	4.2
195.11700	2.0
199.11162	21.7
199.14919	1.8
201.12770	1.6
203.14290	1.9
205.12187	0.9
209.09744	1.1
209.13179	1.2
213.12761	4.7
215.14203	1.3
217.12170	1.8
217.15695	1.4
223.11195	1.0
225.09169	1.9
227.14374	3.6
227.17941	3.4
229.15773	1.9
231.13898	1.8
241.19467	2.3
244.14656	0.9
245.15387	1.9
245.18993	2.0
251.17758	2.0
259.20566	4.9
269.18991	19.5
281.35312	1.0
287.05762	1.1
287.09613	2.3
287.12848	7.7
287.20047	100.0
287.23370	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	287.2368
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05508	3.3
57.07067	2.0
58.01152	1.4
58.69616	1.4
67.05495	6.7
69.07049	8.3
79.05466	2.3
81.07053	18.4
83.08598	4.0
91.05440	3.8
93.07028	13.0
95.04973	3.6
95.08600	31.9
97.06477	1.8
97.10147	3.7
105.07047	13.8
107.04931	14.6
107.08583	28.0
109.10154	42.2
110.61652	1.6
111.08059	7.7
113.09576	1.6
117.07017	2.4
119.04169	3.0
119.04936	47.9
119.07865	1.6
119.08545	14.7
121.10121	20.6
123.04406	12.5
123.11671	10.7
131.08553	6.9
133.10129	27.0
135.11705	12.6
136.99315	1.7
137.05969	3.7
143.08502	2.0
145.10110	12.4
147.04376	10.3
147.11708	17.8
149.13234	9.9
153.05505	1.9
157.10124	3.5
159.11644	12.5
161.05882	2.8
161.13240	22.8
163.03902	11.1
163.14726	1.9
165.05457	12.7
171.11615	3.4
173.13272	13.1
174.40999	2.0
175.14761	16.2
185.13077	2.1
187.14774	16.0
189.16321	2.9
199.14798	13.5
213.08966	2.1
213.16345	10.5
215.17989	8.7
222.81171	2.0
224.04324	1.7
227.17909	2.8
229.08583	12.2
229.19460	1.8
241.08727	2.4
247.04375	1.8
257.07953	14.1
259.09833	2.8
259.24106	2.0
269.08145	2.3
269.22638	45.0
287.05396	6.8
287.09097	11.1
287.12741	2.0
287.20306	3.5
287.23654	100.0
289.00888	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	287.2369
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
55.05520	4.2
67.05515	6.2
79.05530	5.0
81.07066	7.8
83.80521	3.9
91.05471	8.6
92.17889	5.6
93.07064	7.3
95.08578	9.4
98.98429	4.5
105.07033	9.2
107.08637	6.0
109.10161	4.6
117.06983	5.2
119.08594	17.1
121.10120	8.6
123.11724	5.3
131.08571	17.9
133.10117	20.2
135.11627	4.3
140.26524	4.3
145.10107	24.2
149.13235	5.0
157.10100	8.9
157.37300	4.2
159.11694	16.5
161.13271	7.5
171.11647	9.0
173.13243	7.6
175.11107	5.8
185.13280	8.2
190.05907	4.0
199.14786	5.2
203.18034	4.7
206.46432	4.3
213.16310	5.1
222.10753	4.3
243.20874	3.9
269.22632	35.4
287.02704	6.3
287.05386	45.4
287.16602	5.1
287.20041	18.1
287.23682	100.0
292.91873	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	287.2367
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
55.05528	2.1
57.07052	2.5
57.27274	1.3
59.46156	1.5
67.05488	4.4
69.07042	7.5
73.77074	1.5
75.35161	1.7
79.05462	2.1
81.07027	10.5
83.08603	2.8
93.07048	2.5
95.04944	2.1
95.08615	15.8
97.10112	1.7
105.06934	2.1
107.08562	3.3
109.10131	11.1
117.06970	2.2
119.08529	8.7
121.10112	8.8
131.08542	8.8
133.10081	7.5
135.11642	3.7
145.10091	8.2
147.11662	7.4
149.09639	15.6
149.13181	2.7
159.11647	3.6
171.11607	1.9
173.13193	8.9
175.14828	3.3
181.65900	1.9
185.13170	9.0
187.14833	3.4
189.16264	3.1
199.14832	3.5
201.16417	2.2
203.17908	6.9
213.16319	2.9
218.95213	1.9
240.08446	2.0
256.26285	2.5
259.28183	3.0
269.22629	41.9
287.05420	13.1
287.20450	5.8
287.23639	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	287.237
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
54.15397	3.9
54.31639	4.3
69.91274	4.6
74.85056	5.8
75.88258	5.2
87.80650	5.7
95.08620	6.8
109.10174	5.8
114.42107	5.0
123.11674	5.5
137.09691	7.0
149.13136	6.2
161.13232	6.9
163.11211	7.0
177.12697	12.9
264.82281	5.3
269.22644	8.5
274.18335	5.8
287.20190	19.6
287.23712	100.0
298.50146	6.8
304.51099	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	287.2369
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
54.09965	1.3
54.68918	1.4
55.05501	8.5
59.04968	1.6
64.98994	1.5
67.05492	11.4
69.07041	9.2
79.05482	4.1
81.07062	36.9
83.08588	3.3
91.05456	8.3
93.07050	18.1
95.08589	26.9
97.10133	2.6
98.98415	2.0
102.81740	1.5
105.03369	7.8
105.07024	16.4
105.99669	1.8
107.08597	21.8
109.10154	25.6
113.09655	2.1
119.04939	2.8
119.08564	16.9
121.10108	12.0
123.04410	2.6
123.06335	2.4
123.11665	9.9
131.08517	9.9
133.10120	19.7
135.08069	2.1
135.11665	14.6
137.13310	1.9
143.08514	2.2
145.10132	12.3
147.11670	15.2
147.71062	1.7
149.09621	53.6
149.13246	9.2
157.10101	2.1
159.11655	10.1
161.13235	15.7
163.11191	3.1
163.14828	2.9
171.11687	2.8
173.13200	9.0
175.14806	14.9
176.15944	2.0
177.12761	1.8
177.16483	1.6
185.13234	7.6
187.14795	10.9
189.16322	2.7
199.14761	12.4
201.16360	2.3
203.18040	2.0
213.16331	11.2
214.05688	1.7
225.09091	2.0
229.08478	1.8
229.19522	2.3
231.17296	2.9
231.25044	2.8
269.22638	22.9
287.05588	3.3
287.12952	2.5
287.16705	3.6
287.20105	9.6
287.23648	100.0
287.31360	2.8
308.69568	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	287.2368
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
67.05486	6.7
69.07066	2.3
76.22606	1.3
77.79639	1.2
79.05482	1.6
81.07038	11.5
86.70026	1.2
91.05453	2.6
93.07023	9.0
95.08606	18.1
97.10152	1.4
105.07021	14.7
105.51237	1.5
107.08593	13.1
109.10139	15.3
119.08555	6.8
121.10163	10.0
121.10895	1.3
123.11694	5.5
123.50957	1.5
125.32844	1.4
131.08565	7.4
133.10124	15.4
135.11673	22.7
145.10104	9.0
147.11690	16.6
149.13231	8.2
157.10123	2.3
159.11690	7.9
161.13234	20.4
171.11612	2.0
173.13242	13.9
175.14806	12.8
179.14369	2.8
185.13292	1.8
187.14778	8.7
189.16330	2.8
199.14822	6.1
201.16359	1.5
213.16347	7.5
227.17917	2.0
269.22589	40.5
287.23676	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	287.237
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
51.02322	1.8
55.04044	1.6
59.86105	1.7
64.67947	1.7
67.05490	12.1
69.07080	2.8
77.62345	1.9
78.97447	1.9
79.05499	7.0
81.07056	16.8
83.08611	2.9
91.05471	9.2
93.07023	13.0
95.08601	21.5
97.06517	1.9
97.10165	2.0
98.98466	2.1
103.71495	1.9
105.03374	11.0
105.07005	13.6
106.03734	3.6
107.08585	15.0
109.10158	22.0
112.06632	2.0
119.08566	14.9
121.10152	17.9
122.05985	2.3
123.11725	4.0
131.08554	15.7
133.10130	14.7
135.11667	10.5
142.36208	2.0
145.10112	13.4
147.11690	13.7
149.13260	8.0
157.10052	2.5
159.11697	12.5
161.13228	20.3
163.14816	2.7
171.11763	3.8
173.13263	12.5
175.03827	3.4
175.14835	18.3
185.13217	8.0
187.14836	9.6
189.16299	4.0
195.80963	1.8
199.14792	4.0
199.57076	1.8
201.16391	4.2
203.17921	3.9
213.16342	4.3
227.18045	2.6
241.19461	4.2
269.22641	42.5
287.05414	6.9
287.23676	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	287.2369
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
55.05502	2.3
55.74319	1.2
57.07078	1.6
67.05494	1.7
69.07069	3.2
71.04982	9.7
71.42515	1.4
81.07047	6.4
93.07024	5.6
95.08595	8.6
101.77136	1.3
105.07014	8.4
106.09427	1.7
107.08559	8.0
109.10197	10.0
113.09594	2.4
119.08590	8.1
121.10141	8.4
121.17146	1.5
123.08051	1.9
123.11696	1.4
125.09667	2.0
131.08504	5.1
133.10103	7.4
135.08055	5.9
135.11688	2.4
137.13252	3.4
143.08427	1.9
145.10112	5.6
147.11632	2.8
149.09633	15.0
149.13159	2.6
157.10135	2.1
159.11690	7.4
161.13297	9.8
163.11151	5.8
163.14825	1.6
165.12712	2.8
171.11647	2.4
177.12720	2.3
185.13210	2.1
189.12714	1.7
205.15877	2.2
213.16330	3.4
215.17923	13.3
269.22614	17.3
287.05487	9.3
287.20157	6.1
287.23676	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	287.2369
Annotation	SCHEMBL13039025
Peak:m/z	Relative Intensity
53.83254	2.3
54.45672	2.3
55.05512	5.2
57.07066	3.6
67.05511	9.5
69.07065	11.6
71.08643	2.4
73.59893	2.8
81.07056	13.6
83.08618	14.9
87.50816	3.1
93.07036	14.0
95.08601	27.3
98.30761	2.4
100.64620	2.7
105.07034	15.9
107.08579	13.9
109.10149	20.8
111.08089	3.2
119.08569	11.3
120.60838	3.4
121.10139	14.9
123.11697	6.2
131.08551	3.6
133.10121	18.0
145.10072	3.9
147.11699	18.9
149.13365	5.1
151.11218	4.8
157.10046	6.4
159.11699	32.1
161.13252	6.6
171.11757	5.3
173.13292	12.0
175.14761	13.8
177.12715	4.6
185.13298	11.1
187.14796	4.9
189.16428	3.5
190.17107	12.8
199.14769	10.9
213.16351	21.5
227.17857	6.5
241.19460	4.2
243.21170	4.6
244.17406	2.7
269.19827	3.2
269.22546	33.2
287.20132	10.9
287.23657	100.0
287.31360	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	287.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	45.0
55.92176	1.9
57.07083	42.1
69.07072	100.0
71.08629	28.6
80.14064	1.8
81.07040	3.0
83.08154	3.9
83.08623	82.4
85.10181	17.5
95.08694	2.3
95.71356	2.0
97.10168	76.9
111.11721	31.3
125.13274	7.6
129.93713	2.2
136.36032	2.7
188.08119	2.3
269.19003	4.4
287.19998	11.1
287.23557	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	288.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
58.99599	0.9
59.77858	0.9
70.06605	6.1
82.32268	0.7
82.54173	0.7
83.13464	0.7
84.08134	0.8
91.05498	5.1
95.04974	1.4
107.04984	7.2
112.07649	1.0
113.96412	1.0
119.04927	10.8
120.05746	1.1
121.06547	1.1
123.04465	3.6
125.00567	0.8
125.04237	1.4
135.02686	3.8
135.04401	29.4
135.05373	1.3
136.05209	0.9
139.02138	1.8
147.04384	9.6
148.05180	7.1
149.00597	1.4
151.02145	5.2
153.03688	17.5
153.05516	1.5
163.02173	4.1
163.45470	0.7
165.05418	3.5
166.00818	1.1
166.06248	24.9
167.01598	25.1
167.02930	0.9
169.03180	1.3
175.11949	1.4
176.04294	1.0
181.03166	100.0
182.22853	0.8
199.04231	39.3
207.04710	9.2
225.33698	0.9
246.04849	1.3
271.06314	43.1
288.05899	5.5
288.09088	19.4
288.14313	1.0
288.20294	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	288.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
59.49877	0.9
62.54783	1.0
69.67548	0.8
73.74620	0.8
74.13982	0.8
79.05482	3.9
80.05826	1.2
91.05477	16.0
92.05827	12.1
93.06153	2.1
95.04971	6.4
96.05296	3.7
105.03394	100.0
106.03725	66.4
107.03970	27.6
118.06521	1.6
119.04935	4.0
120.05267	2.0
121.05580	1.2
122.06032	32.2
123.06372	26.9
124.06554	12.6
137.07913	1.5
189.52911	1.0
242.10703	1.7
271.08679	1.3
288.11282	6.3
288.29050	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	288.2532
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.79889	0.7
56.05037	6.8
57.07075	9.7
58.06604	2.0
62.62598	0.8
68.77747	0.7
71.08620	5.0
72.08158	1.6
74.06081	26.6
75.92292	0.7
85.10172	1.9
85.49432	0.8
88.07631	70.7
89.27089	0.8
92.84662	0.9
95.53680	1.0
102.05562	6.5
116.07099	1.3
120.06558	6.7
129.48300	0.9
226.25316	8.8
242.22356	1.4
242.24767	32.3
270.24316	3.6
272.48077	0.8
288.25354	100.0
288.28879	13.2
302.02048	1.0
305.64984	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	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35418	0.5
56.05043	6.6
57.07080	15.1
58.06605	16.8
62.33646	0.6
64.59388	0.6
68.81835	0.6
71.08636	6.3
72.08160	15.4
74.06078	29.4
74.29512	0.6
75.46582	0.6
77.21600	0.7
85.10180	3.4
88.07629	72.5
92.17931	1.3
102.05545	6.8
104.23896	0.6
116.07084	3.1
116.10709	0.8
120.06590	7.7
120.08942	0.6
157.78812	0.8
226.25278	65.2
242.24768	38.4
270.24286	4.0
270.27179	0.8
279.22714	0.7
288.06046	0.8
288.25360	100.0
288.28970	93.9
309.79892	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	288.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23442	0.7
56.96571	6.0
75.08780	0.8
98.97584	100.0
98.98682	4.5
106.96552	1.4
116.98622	37.7
116.99593	1.4
116.99773	1.4
127.05006	0.9
134.99681	4.6
161.02148	1.4
172.94344	8.7
190.95398	4.9
196.94388	4.4
198.95920	1.0
210.95892	1.7
213.04453	5.1
214.95404	17.6
215.01024	1.2
216.97037	1.6
228.96895	6.8
232.96480	12.2
233.01863	1.9
240.96834	1.2
246.97961	9.4
247.03287	1.7
250.97478	3.5
254.28055	0.9
256.96429	23.6
258.98029	1.1
264.98990	1.0
274.97488	69.7
288.99402	16.8
289.04233	1.3
292.98557	28.6
307.00186	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	289.0708
Annotation	Isookanin
Peak:m/z	Relative Intensity
50.81658	0.6
52.19654	0.6
58.88792	0.7
61.77228	0.7
65.03930	1.6
65.80967	0.8
79.42083	0.7
83.18702	0.7
87.87714	0.8
93.03381	8.6
94.20403	0.7
95.04977	0.9
107.04932	3.2
111.04446	19.4
123.04420	38.4
127.03914	10.0
135.04413	100.0
137.02350	1.7
139.03905	46.4
149.02336	16.3
149.05983	1.3
150.03088	1.1
151.03897	22.7
159.04465	1.3
163.03912	10.7
168.27856	0.9
173.06070	0.9
177.05481	1.0
179.03358	1.5
201.05333	1.0
213.05481	3.6
215.06993	1.0
231.06503	14.7
241.04889	4.5
243.06395	2.0
245.04436	1.3
246.40393	0.9
254.52325	0.9
259.05994	15.0
261.07538	9.5
271.02542	1.3
271.06055	4.6
289.07037	16.6
289.14297	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	289.0705
Annotation	Isookanin
Peak:m/z	Relative Intensity
65.03938	2.5
70.59741	1.1
83.02847	1.0
89.03875	1.6
93.03410	7.9
107.04954	1.4
111.04427	16.6
117.03377	1.8
123.04424	40.5
124.89217	1.2
127.03918	9.6
135.04404	100.0
137.02261	2.0
139.03894	45.3
149.02350	17.5
149.06015	1.1
150.03107	1.9
151.03915	24.6
159.04390	1.2
163.03854	14.2
177.05476	1.4
179.03369	2.6
197.06042	1.5
201.05377	1.3
213.05371	1.9
231.06483	13.0
241.04930	4.7
243.06502	4.4
259.06030	19.4
261.07544	9.2
271.06012	6.8
289.07022	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
60.56234	0.2
60.59282	0.2
61.02930	0.5
69.03416	1.4
79.71925	0.3
80.35810	0.3
81.03413	0.6
81.40856	0.2
85.02895	5.2
93.03377	0.6
97.02900	2.2
99.04410	0.4
109.02862	0.3
111.04425	2.3
123.04430	5.3
125.04286	0.3
126.05491	1.8
127.03912	100.0
135.03351	0.5
135.04404	12.1
139.03905	8.7
145.04968	0.4
149.02325	1.0
151.03909	4.2
157.07596	0.4
157.20023	0.3
162.06819	0.3
162.58604	0.3
163.03899	2.8
167.79668	0.3
169.04332	0.3
179.03534	0.3
192.20340	0.3
205.05005	0.5
231.06461	0.6
231.19264	0.3
259.06110	1.3
261.07550	0.5
267.85190	0.3
271.05966	0.6
289.07001	3.2
289.12479	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	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
57.03453	0.4
61.02933	1.1
64.54268	0.3
69.03416	0.7
71.04962	0.3
73.02912	0.5
81.03407	1.3
85.02914	5.6
87.04500	0.3
97.02893	1.9
99.04468	0.5
109.02850	0.3
111.04443	0.7
123.04425	2.0
123.05303	0.3
127.03915	100.0
135.04414	4.3
139.03891	3.1
149.02310	0.3
151.03905	1.3
161.06081	0.4
163.03918	1.4
177.95659	0.3
179.75154	0.3
197.13222	0.4
199.11159	1.7
201.09262	0.3
227.10756	0.4
231.06546	0.3
243.13895	0.4
253.12270	0.4
260.57904	0.4
260.60593	0.4
271.06055	0.6
271.10202	0.4
271.13284	2.1
289.07001	2.1
289.12070	12.3
289.14813	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	289.107
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
55.01876	0.6
56.80167	0.4
67.05479	0.5
73.77013	0.4
79.05483	0.9
81.03437	0.5
81.07040	2.5
83.05006	0.5
84.77940	0.5
85.02870	1.0
85.06523	2.5
91.05475	0.9
93.03382	0.9
93.07063	0.6
95.08580	0.6
97.06555	0.6
103.05458	2.9
105.07050	0.6
107.04952	48.8
107.08601	0.7
111.04458	2.9
111.73357	0.5
119.08583	3.9
121.02866	0.8
121.06521	5.5
121.10120	1.0
123.04427	5.7
125.05994	1.1
127.03924	2.0
131.04898	2.8
133.10107	0.9
135.04413	14.0
137.06003	0.7
139.03893	8.9
141.05482	2.5
145.06462	4.8
147.08017	3.4
149.02338	1.1
149.05972	39.4
151.03922	3.2
151.11174	0.7
153.01871	2.0
153.05460	100.0
159.11652	0.6
161.05986	1.0
161.09645	0.7
163.03889	2.7
163.07498	1.1
165.05457	2.4
167.06995	0.6
173.06009	1.1
175.07542	0.6
183.06570	6.5
187.11122	0.7
191.07031	2.8
195.06522	0.8
197.09113	0.5
200.48602	0.4
205.05031	0.6
205.12070	0.7
215.07025	0.5
228.46204	0.5
231.06606	2.4
231.13799	4.3
243.06377	0.9
259.06094	1.9
261.07565	1.0
271.06046	1.1
271.09576	0.6
271.16934	1.6
289.06967	4.3
289.10724	20.0
289.17999	3.3
289.21658	1.8
305.91238	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	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03072	0.6
59.03589	0.7
69.71748	0.7
81.03409	0.9
85.02909	5.8
95.35889	0.9
111.04443	1.1
116.15753	0.8
118.92944	0.8
123.04384	5.0
124.03901	0.9
127.03904	100.0
135.04385	12.7
139.03897	7.5
141.06593	1.0
151.03912	1.9
157.07578	1.0
163.03841	4.1
164.32843	0.8
243.01831	0.9
271.05807	1.2
271.13104	1.0
289.06934	8.9
289.12521	98.8
290.85794	0.8
303.45575	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	289.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05505	0.7
55.43907	0.5
57.03413	0.8
61.02924	0.8
65.03933	2.2
67.05512	5.0
69.03442	7.6
69.07040	0.8
69.47568	0.5
71.04980	3.5
73.02905	2.5
79.05499	7.2
81.03427	10.8
81.07061	48.1
85.02908	54.3
85.06544	100.0
87.04448	0.9
93.03380	3.3
93.07024	0.7
95.04946	1.2
97.02911	4.5
97.06529	0.7
99.04446	3.3
103.42912	0.6
107.04940	1.1
109.02869	8.3
109.06509	17.7
111.00812	0.9
111.04436	9.0
121.06451	0.6
123.04424	18.2
127.03912	68.2
127.07553	40.2
127.08431	0.8
132.04523	0.6
135.04416	64.0
137.02330	1.3
139.03914	20.9
144.13823	0.7
145.04956	5.3
149.02351	4.5
149.05959	2.9
150.35246	0.6
151.03894	10.3
151.07494	1.1
159.04401	2.6
161.05977	5.6
163.03891	36.6
173.05919	0.7
175.07507	0.8
177.05507	4.4
180.07741	0.8
182.03499	2.8
187.03894	4.5
187.07603	0.7
197.05923	3.0
199.04247	0.7
200.04507	0.7
201.05453	3.3
203.07034	1.1
205.04921	4.3
213.05756	0.6
215.07057	2.8
219.38048	0.7
225.05582	1.1
229.04939	2.5
231.06505	3.4
243.06271	4.2
247.05930	0.8
253.10622	3.5
259.06036	3.2
261.07538	3.5
269.17502	0.6
271.06021	11.3
271.11551	0.7
272.06604	1.2
289.07043	35.1
289.12305	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	289.1432
Annotation	Cryptomoscatone D2
Peak:m/z	Relative Intensity
52.94185	0.8
55.05487	1.1
67.05487	4.4
69.03423	2.6
79.05479	2.4
81.07037	4.4
83.04961	1.6
84.28928	1.1
84.31132	1.1
85.02871	1.2
85.06495	1.3
91.05469	2.1
91.65174	0.9
93.03368	1.5
93.07024	6.9
95.04936	2.5
95.08578	1.6
97.06501	2.4
105.07001	9.4
107.04947	4.4
107.08578	5.0
109.06477	9.4
109.10174	1.3
111.04424	8.8
117.07096	1.5
119.08586	2.2
121.06508	9.7
123.04423	16.9
123.08047	6.6
123.92651	1.1
127.03906	4.6
129.06967	1.7
131.08546	4.1
133.06454	4.9
135.04404	32.3
135.08031	6.9
137.06021	3.9
139.03873	18.6
141.06941	1.6
143.08517	4.8
145.06480	2.3
145.10149	2.4
146.95279	1.2
147.08023	4.5
149.02299	2.2
149.05966	2.2
149.09688	1.6
151.03938	8.1
151.07477	2.5
155.08543	7.6
157.10072	2.6
159.08049	6.9
159.11700	1.5
161.05978	2.4
163.03889	5.3
165.05521	1.2
165.06953	1.5
167.08508	2.5
168.09315	1.6
169.10135	7.4
171.08008	2.2
171.11662	1.4
172.08847	1.2
172.83794	1.0
173.05916	1.6
173.09615	6.2
175.07559	1.9
179.08517	2.6
181.10065	2.6
182.10873	2.4
183.08023	4.3
183.11665	6.9
185.09644	5.2
185.13074	1.2
187.07454	1.5
187.11191	2.3
189.09103	1.3
192.09325	7.5
193.10170	1.0
195.07968	1.5
195.11684	1.5
196.08849	2.4
197.09622	6.5
197.13194	9.4
199.07518	1.4
199.11115	7.7
201.09120	5.4
201.12727	4.6
207.11662	6.6
209.09518	2.1
210.10400	6.5
211.11253	7.9
213.09082	2.4
213.12712	6.8
215.10678	5.7
215.14346	4.3
217.12228	1.1
223.11255	1.5
224.12035	1.5
225.12671	15.1
227.10680	8.6
229.08534	6.2
229.12257	6.1
231.06551	4.2
235.11113	1.3
238.09923	1.3
241.04973	1.5
241.12042	1.4
242.12912	1.9
243.13776	9.4
253.12216	9.7
259.06027	6.6
260.14044	11.0
261.07501	5.0
271.05939	4.3
271.13239	18.6
271.20642	1.3
289.07416	7.9
289.14328	100.0
289.17801	5.1
289.21448	5.3
289.24756	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	289.1434
Annotation	Cryptomoscatone D2
Peak:m/z	Relative Intensity
55.05504	2.6
57.03432	1.9
67.05517	9.5
69.03448	4.2
69.07056	5.9
71.04986	3.2
79.05477	7.3
81.03421	3.0
81.07059	25.4
83.04974	2.5
85.02895	5.3
85.06537	22.7
91.05460	6.8
93.03383	2.1
93.07021	12.6
93.55989	1.2
95.04943	5.1
95.08607	15.0
97.06502	2.9
99.32219	1.2
105.07052	13.1
107.04948	7.8
107.08601	9.7
109.06543	14.1
109.10144	7.2
111.04437	11.5
111.08112	1.6
117.06997	2.0
119.04900	2.1
119.08571	8.3
121.05621	1.3
121.06516	9.2
121.10115	9.6
123.04428	19.3
123.08053	6.0
123.11710	6.4
125.05995	1.4
127.03914	10.3
127.07544	7.1
129.07010	5.2
131.08543	6.2
133.06476	5.9
133.10130	7.6
135.04413	41.9
135.08035	8.3
135.11678	5.4
137.05965	2.8
139.03891	26.2
141.06989	2.6
143.08546	6.5
145.06462	5.7
145.10107	6.6
147.08073	3.1
147.11723	1.9
149.02344	7.4
149.05978	6.0
149.13203	2.1
151.03903	14.4
151.07503	2.9
153.01866	2.3
153.05392	2.2
155.08551	8.6
157.10094	8.6
159.08029	8.7
159.11679	2.2
160.08855	1.3
161.09601	1.9
161.13281	1.4
162.10004	1.4
163.03870	10.1
165.05453	3.1
168.09311	1.4
169.10103	8.2
171.11655	6.5
172.08792	1.7
172.24699	1.4
173.06020	1.5
173.09628	10.4
173.13275	5.4
174.93840	1.3
175.07622	2.3
175.11316	1.9
177.05360	1.8
178.07909	1.5
179.08507	1.9
179.10892	1.6
181.10100	6.8
182.10896	2.3
183.08054	2.7
183.11668	7.7
185.09586	6.2
187.07532	2.7
187.11070	2.4
192.09348	5.1
195.08011	5.7
195.11676	1.6
196.08879	2.3
197.09625	6.6
197.13290	10.3
199.11176	10.4
201.09093	6.1
201.12706	2.9
203.77510	1.3
205.05011	1.5
207.11725	5.9
209.09622	3.1
210.10387	7.0
211.11212	5.9
212.84785	1.3
213.09100	2.2
213.12743	3.1
215.07028	5.7
215.10689	5.6
215.14339	5.8
220.08759	2.0
224.11922	1.5
225.09178	2.5
225.12740	20.9
227.10638	5.4
229.08546	9.9
229.12175	7.6
231.06508	2.0
241.12193	2.0
242.13139	1.6
243.06570	3.0
243.13795	8.1
243.21280	1.8
245.18901	2.0
253.12300	10.2
253.19518	1.8
259.06137	5.5
260.14038	9.2
271.06070	6.6
271.13333	22.1
271.20474	3.3
289.06921	17.1
289.14343	100.0
289.18021	9.6
289.21576	20.8
289.24994	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	289.1433
Annotation	Cryptomoscatone D2
Peak:m/z	Relative Intensity
51.58260	1.6
52.27948	1.8
55.05508	2.2
57.03449	2.4
58.53864	2.1
62.07353	1.7
63.42587	1.8
67.05501	2.1
68.96008	1.8
69.03410	1.9
79.05513	2.4
81.07062	17.5
87.04472	34.3
91.05489	3.7
93.03364	2.2
93.07021	13.3
95.04953	4.9
95.08610	4.1
97.06549	2.2
105.07047	17.8
107.08568	3.0
109.06499	3.7
109.10177	3.6
111.04436	4.0
115.05455	3.3
117.07046	2.9
119.04915	3.1
119.08549	8.4
121.06489	16.0
123.04413	10.3
123.08092	4.2
129.06984	21.0
131.08551	8.9
133.06458	10.7
133.10133	2.6
135.04417	18.1
135.08034	10.8
139.03905	9.6
141.06992	4.1
142.07768	9.7
143.08553	16.0
145.10112	4.4
147.08022	9.0
147.11673	3.0
149.09616	2.5
151.03897	3.2
155.08533	28.8
157.10098	40.2
159.08026	11.7
159.11705	3.0
165.05519	2.2
165.06982	3.2
166.07748	9.4
167.08543	9.3
168.09293	4.1
169.10152	12.3
171.08022	2.9
171.11639	2.9
173.09612	4.8
175.11191	13.2
177.05531	2.4
179.08498	2.4
180.09264	3.3
181.10120	10.4
182.10880	14.2
183.07988	3.8
183.11671	13.4
185.09596	8.6
187.11238	2.4
192.09358	17.0
193.10147	4.0
195.08057	2.2
195.11705	7.7
196.08792	4.5
197.09558	8.5
197.13245	34.8
199.11128	16.1
201.08949	2.1
201.12776	3.7
203.18597	2.0
207.11639	18.9
209.09615	8.3
210.10396	13.5
211.11159	10.4
213.12842	2.9
215.10704	4.5
215.14264	4.2
220.08914	2.6
225.12729	27.1
227.10710	4.8
229.12236	8.2
235.11153	3.0
242.12773	2.7
243.13744	15.6
253.12230	16.8
260.14130	8.0
271.13229	27.3
289.14322	100.0
289.17554	3.6
289.21487	24.5
289.24719	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	289.1434
Annotation	Avicenol C
Peak:m/z	Relative Intensity
57.03427	1.1
60.97418	0.7
61.68541	0.6
62.36032	0.7
67.05518	0.6
70.25770	0.6
75.08160	0.5
79.05466	3.3
81.07035	2.7
88.52939	0.8
91.05469	0.7
93.03381	0.7
93.07025	2.6
95.04978	0.9
103.67406	0.6
105.07021	1.2
107.08583	2.9
111.04452	2.0
111.84120	0.5
119.08587	1.0
121.06496	1.3
121.10088	1.1
123.04423	2.5
131.08502	0.7
135.04399	5.3
136.99751	0.6
137.06000	0.6
139.03862	2.8
139.04886	0.6
142.07764	1.0
143.08543	3.3
145.06458	1.1
145.10069	1.0
147.08011	0.6
151.03931	0.7
153.62587	0.6
155.08585	2.1
156.09361	0.9
157.10071	2.8
158.07167	0.6
159.08064	1.0
159.94249	0.6
167.08578	0.6
168.09332	0.9
169.10130	2.7
171.08014	3.7
171.11708	3.5
173.09618	2.4
181.06451	0.6
181.10098	6.8
182.10938	0.8
183.08034	3.1
183.11638	3.1
184.08836	1.0
185.09627	3.1
187.11108	0.6
192.09294	1.0
193.10107	0.7
197.09576	2.9
197.13293	3.6
199.11183	19.2
201.12770	2.1
201.74443	0.6
207.11685	3.9
209.09608	7.5
210.10513	2.2
211.11163	2.3
213.12740	0.8
220.08687	0.6
225.12726	8.4
227.10632	10.9
235.11176	2.7
241.12294	0.9
243.13797	6.3
245.11696	0.9
253.12212	9.4
271.10910	0.6
271.13242	34.8
289.14322	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	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01870	5.7
55.05516	29.4
56.32153	0.9
57.03439	8.2
61.78925	0.7
67.05227	1.1
67.05509	19.7
69.03415	1.6
69.07066	10.3
76.78540	0.9
79.05492	22.3
81.07056	20.3
81.91824	0.9
83.04971	1.8
83.08615	17.4
84.99846	1.0
91.05473	6.5
91.11567	0.8
92.18044	1.1
93.07041	12.8
93.65432	0.8
95.08595	6.6
97.10165	29.1
105.07023	6.2
107.08601	20.0
109.10142	8.0
111.04430	1.4
111.08095	1.4
111.11680	1.2
115.05441	5.4
117.07016	54.3
119.08585	14.1
121.06516	1.7
121.10136	1.7
123.04396	3.9
125.09609	17.8
129.07037	6.7
131.08580	7.6
133.10152	1.6
135.04405	7.8
135.08041	9.0
135.11702	2.0
139.03897	4.4
141.07013	1.7
142.07773	1.8
143.08549	12.6
145.06480	80.6
145.10107	9.1
147.08031	1.6
151.03926	2.3
153.09055	2.2
155.08502	4.4
157.10112	11.1
159.08102	2.1
159.11710	4.3
161.09616	1.0
163.03883	1.1
169.10168	6.9
171.10269	1.6
171.11650	2.0
173.09558	2.0
173.32375	0.9
183.11668	4.4
189.11220	2.2
193.10172	1.4
197.13284	1.6
215.14296	5.3
222.99783	1.0
225.16409	5.8
227.17746	1.0
243.17499	4.1
253.15884	5.7
271.16901	100.0
289.06860	1.6
289.18008	19.6
289.21606	5.0
289.25012	3.8
314.48520	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	289.216
Annotation	3beta-Hydroxy-5-androsten-16-one
Peak:m/z	Relative Intensity
54.65966	1.3
55.05507	1.8
67.05519	2.9
69.03418	7.7
69.07061	10.2
79.05469	6.7
81.03402	7.3
81.07059	14.2
83.04955	2.2
83.08620	2.1
89.03934	1.7
91.05463	6.9
93.03391	9.1
93.07043	13.3
95.05018	2.4
95.08604	21.0
97.06534	2.2
105.07020	11.1
107.04949	3.8
107.08591	49.5
109.06483	3.5
109.10152	18.3
111.04432	24.0
111.08109	4.0
114.36063	2.0
119.08585	20.8
121.10123	24.0
123.04412	45.9
123.08070	16.4
123.11697	6.0
125.09615	11.1
127.03942	2.3
131.08548	3.4
133.06448	2.6
133.10152	22.3
135.04414	100.0
135.08047	3.4
135.11682	8.8
137.02324	2.7
137.09589	14.8
139.03914	43.5
139.07535	2.4
139.11130	6.3
141.07002	2.4
142.07570	1.8
143.08543	3.3
145.10086	13.5
147.11714	14.5
149.02296	14.8
149.09624	3.0
149.13235	3.1
151.03893	27.0
151.11174	31.7
155.08492	2.3
157.10124	11.3
158.07091	2.2
159.11699	12.7
161.09564	2.3
161.13280	8.9
163.03885	8.7
163.11145	4.3
165.12787	2.2
169.10123	3.3
171.11647	9.3
173.09624	10.6
173.13283	9.3
175.11215	1.7
175.14912	1.8
177.05449	2.2
177.12704	33.5
183.11589	3.5
185.13263	3.8
187.14825	4.0
191.10692	2.3
197.13292	3.1
199.11142	1.9
199.14922	2.5
201.08784	1.6
201.12677	2.3
211.11185	2.3
213.16338	3.1
215.14365	2.5
219.13771	2.1
227.17943	11.4
229.19542	3.7
231.06578	15.2
231.17244	2.3
241.04996	6.2
243.21068	3.7
245.18948	19.1
247.05995	2.1
253.19510	9.4
259.05908	12.5
261.07596	4.1
271.06018	4.1
271.13275	3.3
271.20605	20.1
289.03952	2.7
289.07065	21.1
289.09851	3.0
289.14795	15.6
289.18048	10.9
289.21542	78.0
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	Cespitularin E
Peak:m/z	Relative Intensity
57.07067	1.7
58.41939	1.8
58.94815	1.6
67.05488	2.5
69.07052	8.6
79.05508	1.6
81.07045	9.1
83.04991	12.2
85.06543	2.1
90.49598	1.6
90.70967	1.6
91.83427	1.7
93.07030	6.9
95.08588	8.4
96.53822	1.6
97.06535	49.2
105.07032	3.2
107.08595	11.5
109.10141	9.3
111.04433	7.2
111.08068	2.1
119.08567	8.6
121.10118	7.8
123.04404	12.9
123.08053	10.3
125.09584	2.4
127.03857	2.9
133.10136	9.6
135.04388	24.0
135.07979	2.1
137.09563	2.0
139.03903	10.5
145.10136	3.6
147.04649	1.8
147.11697	8.8
149.09624	2.7
151.03870	6.8
159.11697	4.0
161.13263	2.6
163.11165	3.4
165.12703	2.2
171.11638	3.5
173.13208	4.0
175.11256	2.6
189.16435	2.2
197.13289	1.9
203.14192	2.3
205.12292	9.0
211.14751	2.3
213.16411	2.0
217.16003	1.9
219.58850	1.7
253.19371	3.5
271.20511	14.8
289.21628	100.0
289.29068	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	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.55581	1.9
54.42297	1.9
55.05519	5.7
57.07075	24.2
57.19185	1.8
67.05506	41.5
67.32967	2.4
69.07065	14.9
71.08624	17.6
71.74918	2.2
79.05485	21.4
81.07059	50.6
83.05016	2.6
83.08611	12.7
85.06533	11.7
85.10183	10.5
91.05476	19.7
93.07037	31.1
95.08599	34.8
97.06516	8.6
97.10180	5.2
101.32341	2.5
105.07050	25.5
107.08588	30.5
109.10128	23.0
111.08092	15.3
113.09628	3.5
117.06989	11.7
119.08578	20.8
121.06508	2.5
121.10126	59.9
123.11713	11.0
131.08563	37.4
133.10106	24.7
135.08011	4.7
135.11710	43.4
137.09628	9.0
137.13264	9.7
145.10133	40.0
147.11670	29.7
149.09665	8.7
149.13202	9.6
152.94435	2.3
159.11679	28.4
161.13258	16.5
163.11185	3.1
163.14842	8.7
172.51935	2.2
173.13255	39.5
175.14798	14.6
187.14851	28.1
189.16403	15.2
191.14311	3.0
191.17967	12.5
201.16310	3.2
203.17937	5.0
205.19481	12.4
215.17953	5.6
243.21063	4.4
255.39772	2.8
261.22333	3.1
271.24139	76.4
289.21933	6.5
289.25217	100.0
307.39359	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	289.2528
Annotation	ent-Trachyloban-3beta-ol
Peak:m/z	Relative Intensity
58.00969	5.9
67.05489	8.6
71.10073	5.4
81.07063	41.8
83.08624	7.2
93.07031	10.3
95.08599	23.2
105.07042	10.6
107.08599	8.2
109.10155	11.9
111.04447	6.2
119.08564	24.9
121.10136	35.6
123.04440	9.4
123.11713	7.5
125.09647	6.4
133.10132	14.9
135.04404	26.2
135.11699	22.9
137.13287	7.9
139.03908	11.4
145.10101	23.8
147.11678	8.9
149.13278	10.2
159.11801	6.0
187.14891	6.6
189.16440	6.6
191.18050	8.0
271.24197	44.3
283.01425	6.1
289.18033	9.7
289.25223	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	290.1349
Annotation	Ophthalmate
Peak:m/z	Relative Intensity
51.31557	0.6
58.06607	100.0
59.59956	0.5
83.35998	0.6
84.04506	15.4
85.02900	1.3
97.02876	2.9
112.05145	1.2
122.68429	0.7
124.07601	2.9
127.03938	1.0
128.10725	1.3
130.05031	5.9
142.04974	0.8
149.03458	0.7
149.06058	0.9
153.37671	0.8
158.09219	3.7
161.09210	27.0
169.09726	1.3
170.08125	2.6
197.09277	0.7
215.10272	15.8
227.10275	2.5
267.01636	0.9
273.10754	1.3
281.07910	0.8
290.03326	0.9
290.08127	0.8
290.13400	12.5
290.16171	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	290.1386
Annotation	Zephyranthine
Peak:m/z	Relative Intensity
53.03956	1.3
55.05499	2.4
61.07645	1.0
67.05495	4.8
79.05495	10.1
81.07058	98.5
83.08609	14.3
84.08147	20.5
91.05479	100.0
92.98077	1.1
96.70345	1.1
103.05476	1.6
106.06545	6.6
109.06511	23.9
111.94897	1.2
118.06514	7.8
119.04937	19.1
119.93451	1.0
126.09148	50.6
136.07556	7.9
147.04433	2.3
147.49017	1.1
165.05388	2.8
170.66934	1.4
182.08116	26.6
242.24695	4.4
244.13380	4.8
290.13861	71.4
290.26907	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	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74046	0.7
57.07079	5.3
57.98684	0.7
70.06593	10.1
71.08622	1.6
85.10168	1.6
88.07623	28.9
102.09171	17.9
132.10242	0.8
146.11765	1.5
150.11316	1.0
201.80864	0.8
228.23196	81.8
272.25812	4.9
290.26868	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	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	10.0
57.07080	7.6
58.06594	5.6
60.04520	1.5
62.45583	0.7
67.97847	0.7
71.08602	3.4
73.62566	0.7
74.06071	10.7
74.07462	0.8
76.63785	0.7
80.73087	0.7
85.10165	1.1
86.06076	1.3
86.33926	0.6
88.07631	18.5
89.51692	0.7
102.90025	0.7
118.08629	5.2
122.08113	8.1
134.57605	0.7
139.01639	0.7
153.89529	0.7
167.28638	0.8
213.62149	0.7
228.23264	0.9
242.24763	61.7
272.25873	3.3
290.26862	100.0
290.93854	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86596	0.6
53.24239	0.5
56.05046	9.9
57.07082	7.1
58.06604	8.1
60.04518	1.6
64.26431	0.6
71.08615	4.0
74.06080	13.0
79.26482	0.7
85.10147	1.2
85.59794	0.8
86.06062	3.3
88.07081	0.8
88.07625	19.5
88.48669	0.6
118.08636	7.3
122.08129	9.3
133.98904	0.6
136.62779	0.7
170.66235	0.6
242.24768	64.4
272.25861	2.6
290.26874	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	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70086	0.6
56.05042	7.7
57.07088	5.5
57.07296	0.6
57.17624	0.6
58.06605	6.6
60.04527	1.4
60.70244	0.6
61.05056	0.7
63.21689	0.8
66.10410	0.7
66.55805	0.6
68.02528	0.6
68.05016	0.6
71.08618	3.4
74.06081	11.8
80.28482	0.8
85.10168	1.1
86.06067	1.7
88.07632	15.3
90.95007	0.7
104.07054	0.9
118.08672	5.2
122.08127	6.4
242.24774	61.4
272.25870	2.4
278.54660	0.7
285.04782	0.7
290.26877	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76196	0.4
57.07083	4.3
58.06599	0.5
58.24495	0.5
58.85616	0.3
60.27751	0.4
65.96823	0.3
67.18282	0.4
70.06592	10.3
71.08608	1.0
78.90556	0.4
80.06773	0.4
80.13653	0.4
85.10155	1.9
88.07629	27.7
94.35439	0.4
102.09181	17.1
107.54321	0.4
132.10182	0.6
146.11751	0.9
150.11220	0.7
184.20593	1.5
189.73465	0.4
228.23213	79.7
249.14809	7.9
272.25821	6.1
290.26874	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32732	0.5
57.07065	3.6
58.06569	0.8
65.71249	0.6
70.06586	10.4
71.08624	1.2
85.10183	1.1
88.07629	25.3
102.09177	13.9
106.29646	0.6
113.42623	0.7
114.25415	0.7
128.82684	0.6
146.11821	0.8
148.86966	0.7
150.11328	0.8
228.23210	69.3
269.22122	0.6
272.25784	4.7
290.26877	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	7.7
57.07080	8.0
58.06612	6.0
60.04511	3.0
71.08617	3.1
73.91942	0.8
74.06076	10.9
85.10162	1.0
86.06057	1.1
88.07632	20.5
89.52357	0.7
90.27113	0.8
104.07047	0.8
118.08612	5.3
120.26305	0.7
122.08128	9.2
242.24765	66.0
272.25726	1.3
277.06357	0.9
290.26886	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66426	0.7
56.05039	8.1
57.07078	6.4
57.07299	0.6
58.06609	6.1
60.04524	0.8
64.39451	0.7
71.08617	4.8
74.06078	10.8
85.10184	1.0
86.06049	1.3
88.07626	21.2
118.08629	4.8
122.08122	8.9
122.27574	0.9
217.93201	0.9
242.24751	58.1
272.25723	1.5
286.80743	0.8
290.26865	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	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	4.4
57.95866	0.7
70.06590	8.9
71.08632	1.5
80.54021	0.6
88.07631	25.2
102.09173	16.8
132.10249	0.8
150.11200	0.8
175.61919	0.7
195.76619	0.7
203.71292	0.8
205.18710	0.7
228.23210	70.0
272.25824	5.4
290.26874	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	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79723	0.7
56.05035	7.0
57.07080	6.6
58.06607	7.2
59.70797	0.6
60.04522	1.3
70.82841	0.7
71.08621	4.5
74.06073	12.2
76.23922	0.7
85.10168	1.0
86.06045	1.0
88.07622	17.4
118.08659	6.9
122.08141	8.7
205.90074	0.8
242.24756	56.4
244.25539	1.0
270.62143	0.7
272.25891	1.7
290.26859	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	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68921	0.5
57.07095	4.7
66.54766	0.6
70.06606	7.8
70.25932	0.6
71.08607	0.9
83.37588	0.7
85.10178	0.8
88.07632	26.3
94.82712	0.7
102.09185	12.5
106.09724	0.6
118.22737	0.6
132.10272	1.1
133.16008	0.7
150.11282	1.0
184.20618	1.0
191.79987	0.9
228.23209	74.1
249.14731	1.5
272.25873	5.1
290.26877	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	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	4.5
70.06586	9.0
71.17323	0.8
73.47908	0.7
83.72342	0.7
85.10184	1.1
88.07632	22.1
102.09186	16.3
104.27593	0.7
113.17597	0.8
116.68492	0.8
118.70596	0.7
132.10170	1.5
142.49792	0.8
146.11736	0.8
188.63786	0.7
228.23213	72.2
249.14973	0.8
272.25677	5.5
276.50464	0.9
290.26895	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	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99053	2.8
53.24822	2.7
56.33007	2.5
56.96565	47.5
61.90396	2.9
62.62154	2.8
69.96379	2.8
83.16819	2.9
84.96063	3.8
98.97578	100.0
101.00953	3.3
111.82790	3.0
112.99147	4.8
115.02385	2.9
116.48928	2.9
116.98607	19.9
119.62357	3.0
124.99105	85.4
133.03458	5.7
141.02217	6.1
143.00162	74.7
151.00700	10.7
152.98560	49.8
161.01181	13.6
161.02930	3.6
167.00180	15.6
169.01729	19.7
170.99648	94.6
173.01263	3.8
185.01198	48.8
186.99129	5.4
187.02925	4.7
189.00699	29.7
194.99573	5.4
201.02463	5.9
203.02248	17.1
205.00266	4.1
210.53758	3.5
213.00650	36.1
219.03490	13.7
231.01701	59.8
249.02785	49.8
267.03857	18.1
273.02734	16.2
291.03784	93.8
294.51392	3.4
309.04889	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0476
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
50.60342	5.4
54.49310	6.0
56.22077	4.1
70.65976	4.5
110.51396	5.4
117.10954	5.7
129.06543	7.4
136.50363	5.7
234.20682	5.6
291.04712	100.0
291.10379	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85277	5.3
54.60727	4.9
56.96582	9.7
58.06593	7.7
59.15162	5.6
64.51287	6.2
73.02904	5.4
81.03406	28.9
84.04495	10.3
85.02875	7.9
87.10115	6.4
92.18447	12.8
93.63455	5.2
98.97571	31.0
105.05845	6.2
109.02894	10.7
119.01785	6.8
122.97589	5.5
123.04409	8.4
126.02555	11.7
135.03088	7.9
139.00282	31.3
139.03880	9.5
141.06595	11.6
143.00191	5.9
144.03625	46.5
144.13824	41.2
149.98500	6.3
153.04216	10.0
157.01270	20.7
159.07750	7.1
161.01199	8.4
164.25635	6.4
169.01746	6.3
174.07658	8.7
186.99161	26.8
205.00121	9.4
212.96902	6.4
217.14467	6.7
230.98065	10.2
251.04402	7.9
269.05347	8.5
274.31198	6.4
291.04141	7.4
291.04874	7.9
291.08286	100.0
291.15756	14.1
298.67572	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07651	3.7
72.55069	4.2
81.03404	4.3
84.04507	4.3
87.23328	3.6
89.32865	3.8
98.97585	4.6
116.46089	3.7
119.04984	4.9
123.04417	69.6
129.05490	5.4
130.71855	3.7
139.03891	100.0
139.04877	5.1
144.13826	8.8
147.04405	21.5
151.03979	5.5
161.05952	7.1
165.05490	8.7
178.65280	4.2
207.06599	7.7
245.04416	63.7
273.07617	5.2
291.08405	94.4
291.15836	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	291.0862
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
55.01874	0.7
57.81902	0.6
59.17726	0.5
68.78024	0.6
73.11484	0.6
91.74977	0.6
95.04977	1.4
111.04447	1.3
119.04926	4.1
123.04417	54.5
123.96321	0.7
127.03925	0.7
130.10258	0.7
135.04478	0.8
137.05991	0.8
139.03896	100.0
143.04921	1.0
147.04404	21.1
151.03902	2.5
160.73985	0.7
161.05977	9.4
163.03860	1.0
165.05473	11.3
168.54288	0.6
179.07022	4.3
181.05107	0.9
189.05469	1.4
207.06496	9.2
273.07596	1.5
291.08633	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	291.0862
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
55.01866	0.8
57.37065	0.6
64.00494	0.6
71.77518	0.6
78.57661	0.6
79.57770	0.7
95.04959	2.6
111.04419	1.6
119.04928	3.6
123.04413	60.9
127.03931	1.2
137.02327	1.0
139.03896	100.0
142.46349	0.6
143.04904	1.3
147.04408	22.3
151.03911	2.8
161.05936	8.0
163.03918	0.8
165.05457	16.2
169.04997	1.3
179.07047	4.8
189.05508	1.2
207.06522	9.2
208.62138	0.6
249.07570	0.9
273.07486	1.2
291.08603	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30927	0.5
64.38746	0.5
68.38848	0.6
68.99781	0.7
77.80951	0.5
81.03375	0.6
83.04983	0.6
84.13913	0.5
91.05452	0.7
95.04965	2.9
119.04938	3.4
123.04424	60.6
130.58734	0.6
139.03902	100.0
141.57912	0.6
143.04942	1.1
147.04410	22.2
151.03909	2.7
151.07645	0.6
153.05446	0.7
157.28127	0.5
161.05974	7.6
163.03937	1.0
165.05461	14.7
169.04933	0.8
177.05444	0.7
179.07080	5.4
181.05011	0.8
189.05461	1.3
207.06514	8.4
249.07613	0.8
273.07748	1.0
291.08621	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08828	0.4
55.01888	0.5
59.43715	0.4
60.93187	0.6
67.05472	0.5
88.00783	0.5
89.05041	0.6
93.25699	0.6
95.04956	2.6
102.49681	0.6
111.04471	0.8
119.04908	4.1
123.04425	57.1
127.03862	1.3
137.05931	0.6
139.03902	100.0
140.63168	0.5
143.04922	1.2
147.04405	25.7
147.05569	0.9
151.03903	2.1
152.89862	0.6
161.05931	9.3
163.03886	1.2
165.05446	13.8
169.04964	0.9
177.05545	1.1
179.07014	4.3
181.86230	0.6
189.05481	2.0
207.06505	9.3
245.79620	0.6
254.44156	0.6
257.38681	0.6
273.07605	1.4
281.23969	0.6
291.08627	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	291.0861
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
50.64083	0.5
51.22961	0.5
56.41965	0.5
59.04996	1.3
66.23685	0.5
67.05522	0.6
67.47260	0.5
68.99791	0.7
82.54547	0.5
85.02876	0.6
95.04961	3.6
111.04435	0.8
119.04916	3.6
123.04420	58.5
129.05457	1.4
135.04362	0.9
137.05966	0.7
139.03899	100.0
147.04404	22.4
151.03885	3.0
153.05432	0.6
159.09241	0.8
161.05962	8.7
163.03824	1.3
165.05460	13.2
177.05380	0.9
179.06993	4.2
189.05457	1.4
207.06528	8.4
273.07590	0.8
291.08603	12.3
291.16016	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	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
54.13708	1.0
63.39700	1.0
66.46099	1.0
73.06581	1.1
88.04002	1.1
92.69985	1.0
109.51179	1.1
118.06524	2.0
118.15012	1.1
130.06522	84.8
132.08069	13.1
139.03877	1.5
142.06548	2.1
144.08073	6.7
146.05989	18.2
156.08096	2.8
157.07603	1.8
158.08340	4.2
159.09175	100.0
160.07552	6.5
170.06001	35.5
170.07399	1.9
181.07538	1.3
183.09163	5.0
184.07576	22.9
185.07082	45.9
187.08687	6.4
188.07062	51.8
199.08783	1.6
200.07051	12.6
201.10242	14.3
209.07018	1.3
227.08147	47.1
229.09708	4.9
231.07581	2.1
245.09198	78.6
255.07684	2.0
273.08740	16.3
291.09738	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	291.1225
Annotation	alpha,beta-Dehydrocurvularin
Peak:m/z	Relative Intensity
53.93622	2.5
55.01869	7.3
55.05515	6.3
57.03432	5.8
59.04998	2.9
60.69571	2.4
67.05503	25.8
69.07059	18.3
71.04984	24.5
79.05502	26.5
81.03413	42.4
81.07047	39.2
83.08617	11.1
85.02894	66.2
86.32272	3.1
87.04462	7.4
91.05455	13.1
91.83282	3.2
93.07039	31.4
95.08601	61.1
97.02882	11.6
97.06513	10.9
99.04451	22.1
99.08091	11.5
101.02374	2.6
105.07018	4.8
107.04946	4.8
107.08604	6.0
109.02903	3.2
109.10135	21.5
111.04420	32.3
112.03130	2.6
115.05458	4.8
117.07030	11.6
119.08570	5.0
121.06480	5.1
121.10140	26.3
123.04443	6.9
123.08145	3.2
125.05994	3.3
129.06999	5.0
131.04895	10.6
131.08533	6.6
135.11761	3.5
137.05989	16.1
139.03914	7.4
139.07530	3.5
139.11188	23.4
141.06981	11.9
143.04851	5.6
143.08571	3.9
145.06474	11.6
145.10176	3.7
147.04474	3.1
147.08026	3.1
149.05994	6.0
151.07516	76.1
153.12704	7.0
155.08565	6.1
157.06470	11.7
157.10089	4.9
159.11687	16.3
160.05170	4.4
161.05931	6.1
163.07556	22.2
165.05530	5.1
165.06982	3.6
165.09079	4.5
167.08553	15.0
169.06467	4.5
171.08038	11.6
173.05954	4.9
173.13255	4.3
174.06761	4.8
175.07529	100.0
177.05492	15.5
177.09041	29.8
179.10582	3.4
184.08861	3.5
185.05963	14.8
185.08081	11.2
187.07516	5.9
189.09085	23.1
191.07010	15.3
191.14223	5.1
193.08574	26.3
195.04298	3.5
195.08061	22.9
195.09862	3.5
197.05965	7.2
197.07822	3.6
199.07539	14.4
201.05399	4.3
201.09100	20.1
201.12714	5.9
203.07056	5.9
203.10626	5.4
205.08650	3.3
211.07509	4.4
213.09081	13.0
215.07050	3.8
217.08606	18.7
219.10266	3.3
219.13799	19.8
223.07556	4.7
227.07060	11.3
227.10674	5.5
229.08638	24.7
231.10213	6.8
232.07310	3.0
237.14804	22.2
241.08629	6.9
245.07947	21.1
247.09769	3.8
255.10246	6.9
255.15797	22.6
261.11276	4.7
273.10995	25.8
273.17157	3.8
279.30725	2.9
291.12292	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
55.26801	0.4
56.14417	0.5
59.02621	0.4
75.51553	0.4
78.86883	0.4
82.31544	0.4
83.08607	6.4
85.02904	0.6
97.02872	0.6
119.04924	1.0
123.04422	17.4
123.05309	0.7
128.22653	0.5
129.09100	4.5
139.02814	1.0
139.03896	31.3
147.04395	7.2
154.04988	0.8
159.09077	0.5
161.05966	3.1
165.05455	3.1
167.03331	0.7
168.03680	1.1
175.07518	0.8
179.07077	0.9
188.09383	8.2
189.06636	0.5
202.11012	0.8
207.06573	3.4
216.08931	0.8
217.13347	34.4
218.10391	0.6
227.11787	2.8
228.10229	1.1
230.10463	0.7
242.10341	0.9
243.11383	1.1
244.08331	3.8
245.12831	100.0
255.11319	2.2
263.13855	1.7
273.07803	0.6
273.12314	36.2
291.08801	4.1
291.13364	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
55.05518	1.2
57.22253	1.0
60.84240	1.1
67.05488	2.3
69.03398	2.1
69.07050	1.3
75.03868	1.1
77.49738	1.3
81.07034	1.2
83.08575	2.1
85.02892	1.0
91.05453	1.4
93.07028	1.5
95.04962	1.3
95.08595	1.7
105.07015	1.4
105.19521	1.0
107.08589	1.3
108.04495	1.8
109.10139	1.7
109.42664	1.1
116.61713	1.1
119.08536	2.6
121.10093	2.2
123.04395	11.5
124.07545	6.1
129.09067	1.7
130.06491	4.4
135.11684	1.4
136.03903	2.4
137.02357	1.9
137.05922	1.6
138.09132	10.1
139.03900	17.6
140.07076	11.8
147.04387	2.1
147.11723	1.4
152.06990	1.7
154.04965	10.4
159.09109	4.0
161.05894	1.2
168.06421	1.0
175.07509	1.2
178.05014	2.0
182.09529	1.5
188.07063	1.3
188.10678	1.9
189.12775	1.2
196.06033	3.9
200.10666	9.0
203.11862	1.3
215.11752	2.1
215.14127	1.2
216.10190	2.5
217.13449	1.6
218.11700	5.3
227.08179	8.5
227.11781	5.7
228.10168	30.2
229.10954	2.0
231.07970	1.3
231.11372	1.5
241.05072	1.5
242.10497	8.3
243.11238	9.3
244.12007	2.6
245.09073	1.6
245.12794	15.2
246.11253	15.8
255.11296	4.4
256.09671	1.8
261.12228	1.8
273.12308	10.2
273.18439	2.2
273.52374	1.2
274.10724	8.3
276.07886	2.0
291.08472	5.3
291.09961	3.7
291.13345	100.0
291.19547	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	291.1337
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
50.69585	1.0
55.05517	2.2
57.42762	1.2
59.05021	1.4
62.82414	1.2
64.72646	1.1
65.03945	1.6
67.05479	2.0
69.03430	1.7
69.07038	1.6
79.05488	2.1
81.07039	2.2
81.21738	1.3
83.04965	2.2
83.08609	3.0
84.04510	1.3
85.02887	3.0
93.07030	5.5
95.04949	2.5
95.08591	2.4
97.06535	1.8
105.07018	5.4
108.04469	1.7
119.04887	2.1
119.08543	1.6
120.07919	1.4
121.06465	1.3
121.10120	1.5
122.06042	2.8
123.04421	31.9
124.07584	7.8
129.05498	1.4
129.09113	2.1
131.08562	2.1
133.10158	1.7
135.08073	1.9
136.03929	7.0
137.02342	7.8
137.09595	1.5
138.09125	13.6
139.03896	45.8
146.06017	2.7
147.04413	18.0
151.03905	2.1
154.05000	16.3
161.05945	2.9
165.05455	8.1
173.09654	2.7
176.36752	1.4
179.06944	1.5
181.52852	1.5
185.09747	1.9
188.07172	4.8
189.05280	1.6
193.10208	1.7
200.10732	6.5
202.97823	1.6
203.08333	1.6
203.11833	3.0
207.06554	3.1
212.09271	2.2
213.10298	1.6
215.11769	7.0
217.13348	9.2
227.08176	2.9
227.11809	8.5
227.14195	2.7
228.10162	24.4
229.10835	2.0
232.12108	2.8
237.12640	2.5
241.09669	1.9
242.10524	17.7
243.11226	10.1
244.11870	3.9
245.12852	34.5
246.11305	8.4
255.11273	5.6
255.13838	6.3
256.09677	1.8
260.11566	1.6
261.12341	1.7
263.13864	8.3
273.12335	16.9
273.14825	3.2
274.10654	5.5
291.08542	4.8
291.13382	100.0
291.16464	4.8
291.23465	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	291.1338
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
52.81093	0.5
57.36585	0.6
58.06942	0.6
83.08599	1.1
83.28590	0.6
110.26122	0.6
119.04945	0.8
123.04430	18.8
132.06558	0.9
134.86215	0.6
139.03906	32.3
147.04430	7.0
161.06006	3.2
162.92700	0.6
164.07661	0.7
165.05452	5.2
168.03690	2.6
179.06964	0.9
188.09435	8.6
207.06532	1.5
217.13339	36.8
230.10468	1.1
244.08296	5.0
245.12822	100.0
255.11282	1.4
263.13968	1.4
273.12317	37.7
291.08429	3.5
291.13373	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72197	0.7
55.09698	0.7
57.14461	0.7
71.06369	0.7
75.74615	0.7
77.95472	0.7
81.07059	0.8
87.54231	0.7
89.61195	0.8
91.05464	0.9
93.07078	0.8
95.08669	0.9
105.07066	1.1
107.08633	0.8
117.07069	1.0
123.04439	3.3
129.06979	0.8
133.06427	1.1
139.03885	4.3
146.62418	0.7
147.04321	0.9
155.65152	0.9
165.09135	1.7
171.08034	1.4
175.67996	0.9
179.08568	1.2
191.08525	1.4
192.09364	1.5
193.10072	1.7
205.10149	3.2
206.10883	1.5
207.11694	4.3
215.08635	0.9
216.09416	0.9
217.10159	3.1
219.08028	1.5
219.11649	1.8
220.12477	4.5
221.09619	3.8
221.13263	3.3
229.10130	1.0
230.10838	5.3
231.11722	1.8
232.12357	1.5
233.09634	7.8
234.10362	4.9
235.11118	4.3
235.14816	4.6
245.09453	1.2
245.13324	9.3
246.10500	1.0
247.11131	5.8
247.14815	1.3
248.11977	14.2
249.12648	7.9
258.10440	3.4
261.09067	3.0
261.12979	0.9
263.11319	1.2
263.14285	17.8
273.12723	12.9
276.11398	12.7
291.13785	100.0
291.19391	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	291.1379
Annotation	trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
Peak:m/z	Relative Intensity
56.13011	0.7
70.53552	0.8
81.07038	1.0
91.05457	1.5
93.07041	1.7
93.39509	0.8
95.04926	1.4
95.08607	0.9
109.06477	1.1
113.06828	0.7
117.07011	1.0
119.08533	1.2
122.29472	0.9
123.04378	1.3
124.00940	0.9
131.08543	1.3
135.08005	1.5
139.03888	3.5
157.06483	1.4
171.08218	1.3
179.08449	1.2
184.93510	0.9
193.10158	3.1
197.09543	1.2
198.86914	0.9
205.10117	4.3
206.10870	3.5
207.11652	3.7
209.09564	2.0
215.08585	1.7
216.09183	1.2
217.10115	2.0
219.08023	1.3
219.11620	1.6
220.12468	7.3
220.48926	0.9
221.09624	1.7
221.13263	4.2
222.10384	0.9
223.11343	1.1
230.10909	6.7
232.08820	0.8
232.12498	1.5
233.09579	8.9
234.10320	4.1
235.11134	3.6
235.14816	4.7
245.13211	11.4
247.11125	6.8
247.14699	1.3
248.11952	19.4
249.09032	1.2
249.12788	7.3
258.10446	6.2
261.09094	2.0
261.12793	1.6
262.09854	1.2
262.13492	1.1
263.11142	1.4
263.14291	21.0
273.12732	11.0
273.18536	1.0
276.11493	15.5
289.46094	0.8
291.13782	100.0
291.19473	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	291.1801
Annotation	oscr#14
Peak:m/z	Relative Intensity
52.52292	1.2
53.03944	1.1
55.01875	6.6
55.05518	11.7
55.46130	1.3
57.03434	6.6
57.07073	1.5
59.04990	2.6
59.57287	1.2
67.05501	46.7
69.03420	2.0
69.07067	19.4
71.04990	20.5
79.05486	26.5
81.03416	11.9
81.07062	32.6
83.04978	12.9
83.08614	9.6
85.02899	100.0
85.06535	2.3
87.04461	13.1
91.05479	7.6
93.07040	35.5
94.66880	1.1
95.04955	7.6
95.08598	62.5
95.09217	2.0
97.06511	11.1
99.03835	2.1
99.04447	37.1
99.08089	1.2
101.02359	8.5
103.03928	9.5
105.07027	10.5
106.70731	1.1
107.04948	6.4
107.08578	13.8
109.02861	2.1
109.06501	4.6
109.10168	19.7
111.04449	10.1
111.05097	1.3
111.08057	2.4
111.11675	1.3
113.06046	1.7
113.09630	7.1
115.03916	7.6
117.07021	9.2
119.08592	10.7
121.06474	9.6
121.10114	27.5
123.04428	7.5
123.08054	2.6
123.11691	9.0
124.07578	1.7
125.05962	5.5
125.09580	1.5
127.03894	17.1
129.05467	2.6
129.06996	4.9
129.09085	2.0
131.04935	2.6
131.08553	9.7
133.06433	1.9
133.10112	2.8
135.08038	5.9
135.11725	8.2
136.03912	2.2
137.02252	1.8
137.05960	6.0
137.09615	2.8
138.09142	4.7
139.03891	12.9
139.07539	2.2
139.11183	24.7
140.07069	2.7
141.06950	1.4
143.08560	1.9
145.04936	2.7
145.06493	4.9
145.10109	8.5
147.04456	4.4
147.08018	2.0
147.11678	2.4
149.05943	2.2
149.09586	4.3
149.13232	1.8
150.05444	1.1
151.04031	1.2
151.07523	21.6
153.05447	7.6
153.12723	11.0
154.04955	5.3
155.08545	2.4
157.10101	4.7
159.08041	1.6
159.11673	22.5
161.09624	2.2
163.07555	6.5
163.11209	2.0
165.05449	4.3
165.09108	2.4
167.07008	1.9
167.08560	1.6
169.06392	1.7
171.08052	4.9
173.13226	9.7
175.07530	13.9
175.11253	1.8
177.09077	5.0
177.12746	4.3
183.11664	4.9
185.09569	2.4
187.07507	2.2
189.09041	2.0
191.14291	14.0
193.08611	7.4
195.08025	5.1
197.06023	2.4
199.07486	1.2
200.10735	1.7
201.09062	4.0
201.12628	8.4
203.10687	1.3
213.09126	1.8
215.07027	1.5
217.08588	2.6
219.13766	29.2
219.15723	1.8
228.10234	10.1
229.08557	6.5
231.10303	1.5
237.14828	19.6
241.08519	1.2
242.10448	1.9
244.11890	1.5
245.08080	2.1
245.13062	8.8
246.11264	5.9
247.09497	1.3
255.15814	10.7
263.13794	2.3
273.12057	8.5
274.10730	2.7
275.95218	1.3
291.13324	53.0
291.19781	2.6
291.74490	1.5
306.70059	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01860	5.2
55.05507	26.3
57.03422	17.3
57.07060	3.9
61.87604	3.0
62.54049	3.3
64.27737	3.6
67.05507	68.0
69.03423	39.4
69.07056	25.3
69.42845	3.5
71.04982	21.8
79.05495	31.5
81.03413	8.7
81.07050	35.9
83.04974	48.3
83.08620	6.9
85.02895	100.0
85.06542	32.5
87.04461	16.4
91.05466	14.6
93.07043	60.5
95.04960	24.3
95.08609	93.9
97.02898	4.3
97.06531	14.6
99.04464	36.2
99.08057	6.9
103.03933	7.0
105.07002	24.6
107.04941	7.4
107.08589	76.7
109.06483	8.8
109.10108	29.0
111.04424	15.4
111.08060	8.2
113.09631	25.4
115.03896	6.9
117.06994	13.8
119.08566	58.1
121.06484	7.9
121.10140	54.8
122.16896	3.3
123.04418	58.4
123.08079	8.8
123.11691	16.5
125.05952	4.3
125.09604	25.9
127.03893	20.1
127.07571	7.6
129.06976	5.8
131.08562	17.2
133.06485	8.3
133.10138	14.8
135.08035	15.3
135.11662	4.3
137.05910	5.2
137.09621	8.3
139.03889	39.5
139.07491	6.1
139.11182	31.5
143.08554	6.6
145.10139	14.4
147.04460	14.1
147.08092	32.6
147.11673	36.6
149.09605	7.6
149.13197	4.1
151.07500	33.5
153.09116	15.4
153.12746	9.3
157.08910	3.9
157.10135	13.7
159.07996	5.8
159.11691	33.2
160.13766	3.9
161.09581	8.4
161.13222	27.2
163.07512	7.6
165.05411	5.3
165.08990	5.2
165.12767	16.9
167.07079	4.9
167.08511	4.4
171.07994	4.3
171.11685	8.4
173.13246	17.7
175.07542	50.6
175.11140	4.4
177.05424	4.7
177.09131	7.1
177.12779	6.9
179.10646	53.2
183.08075	5.8
183.11668	5.6
184.21117	3.6
185.13210	9.3
189.12695	45.5
191.14305	23.0
193.08684	3.7
195.08063	7.6
201.12732	5.9
203.10823	4.2
205.12308	4.0
207.13744	5.4
213.12714	6.1
215.14313	14.3
217.12262	7.2
219.13814	41.2
231.13834	21.6
235.13255	4.9
237.14790	23.0
241.08723	4.8
245.08179	6.9
245.12825	5.4
255.15881	7.3
264.73889	4.3
273.11310	4.5
273.18463	49.6
291.09476	6.0
291.12613	32.3
291.16394	7.4
291.19504	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01876	15.2
55.05505	14.5
57.03434	15.3
64.14118	2.6
67.05488	12.3
69.07059	2.6
76.00005	2.5
79.05499	27.0
81.07053	17.1
91.05486	14.9
93.07044	20.0
95.04947	22.7
95.08598	11.9
105.07037	14.1
107.04946	7.0
107.08572	26.6
109.06512	58.6
114.32495	3.0
117.07024	6.6
119.08568	4.4
121.06525	2.7
121.10115	4.0
129.06949	4.2
131.08568	23.7
133.06468	3.4
133.10085	4.0
135.08055	100.0
143.08618	3.2
145.10138	5.7
147.08057	5.9
149.09552	11.6
157.10078	4.7
159.11592	4.3
161.09612	12.4
171.11705	4.3
199.14748	4.3
217.15860	14.6
244.92551	3.3
273.18405	17.9
291.19516	81.0
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	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.01876	15.0
55.05501	6.7
57.03431	13.4
65.03927	4.7
67.05505	38.7
68.12757	2.6
69.07066	3.2
79.05486	22.9
81.03426	3.5
81.07056	33.0
83.04974	6.0
91.05486	23.1
93.07040	31.6
95.04974	84.8
95.08592	19.8
97.06534	4.6
101.62843	2.9
105.07025	14.3
107.04948	18.4
107.08569	25.3
109.06509	54.7
109.10161	5.2
115.96573	3.4
117.07004	4.5
119.08575	12.5
121.06456	5.0
121.10139	6.6
123.04413	62.0
123.08035	3.9
125.01684	2.9
129.07004	5.3
131.08563	22.2
133.06480	4.3
133.10109	5.3
135.08052	67.3
135.11604	5.5
139.03909	100.0
141.82018	3.2
143.08557	6.3
145.10158	7.2
147.04449	23.8
149.09615	5.0
159.11723	3.7
161.09621	12.4
163.11124	3.5
165.05423	15.6
171.11691	4.1
179.07104	3.8
187.54041	3.4
207.06599	12.4
217.15858	4.4
222.61656	3.1
255.17511	3.2
273.18457	39.0
291.08673	12.7
291.13702	13.1
291.19586	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.94441	1.0
55.05515	1.3
59.04991	1.7
67.05496	1.9
69.07077	1.7
71.04966	2.0
79.05466	1.8
81.07049	5.5
83.08612	5.5
91.05480	1.7
92.67355	1.4
93.07060	9.3
95.04955	2.2
95.08604	11.5
97.06510	2.5
105.07040	5.7
107.04933	6.1
107.07956	1.4
107.08586	8.7
109.06494	7.8
109.10172	3.0
111.07362	2.1
111.08075	32.0
112.89338	1.2
119.08525	6.9
121.10121	5.8
123.04430	2.5
123.08057	23.1
131.08568	2.8
133.06494	2.4
133.10129	7.8
135.08052	7.0
135.11713	2.7
137.09619	1.7
139.03894	8.3
143.19987	1.3
145.10121	12.8
147.04359	2.5
147.08026	1.8
147.11697	5.8
148.68810	1.2
149.09613	5.8
151.07532	100.0
157.10138	5.6
159.11705	6.7
161.09583	6.5
163.11124	2.2
169.10080	1.5
171.11597	2.6
173.13277	6.1
175.11188	2.5
177.09166	2.2
177.12692	2.0
179.10657	2.1
187.11160	1.6
189.12735	29.6
191.14365	6.3
197.11754	13.4
197.13297	1.9
207.13799	76.1
215.14334	2.5
217.12181	5.0
231.17386	1.7
233.15324	15.8
235.13283	1.6
255.17404	1.8
273.18433	9.7
291.19553	76.0
291.22861	3.6
305.96689	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01866	4.3
55.05501	10.9
67.05506	23.8
69.07051	10.1
77.47531	2.2
78.66727	1.9
78.79346	1.9
79.05482	16.5
81.03378	3.5
81.07063	35.5
83.08606	4.7
85.28834	1.6
91.05477	15.5
93.07053	24.1
95.04974	3.2
95.08616	16.1
97.06533	2.1
102.59401	2.2
105.07054	18.3
107.04958	8.1
107.08584	18.0
109.06477	3.9
109.10139	12.6
111.08070	3.5
117.07002	3.4
118.43773	2.0
119.08590	11.2
121.06480	13.6
121.10124	13.3
131.08517	11.4
133.06506	8.1
133.10104	18.6
135.08057	11.1
135.11664	9.9
137.09570	2.8
143.08566	3.1
145.10103	8.1
147.08000	9.1
147.11691	3.7
149.09592	11.9
151.11188	4.7
157.10162	3.2
161.09592	8.9
163.11044	2.4
171.11617	3.8
175.11229	2.4
177.09048	2.2
185.13293	3.1
189.12773	4.2
199.11143	2.1
233.15433	2.1
245.18985	10.4
249.18486	44.4
263.20053	10.1
273.18503	34.4
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	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05501	3.7
67.05494	2.5
67.09581	0.7
69.07065	1.3
72.82468	0.6
75.03929	0.6
79.05490	3.7
81.07050	5.4
83.08599	2.2
91.05455	2.3
93.07063	4.2
95.04922	1.1
95.08582	1.0
97.10155	4.4
105.07003	3.1
107.08575	3.7
117.06981	1.3
119.08572	4.7
121.06467	0.7
121.10204	0.6
125.09639	1.4
126.52165	0.6
129.25636	0.6
131.08508	2.3
133.10098	1.0
135.08046	0.9
143.08543	0.8
145.10114	2.5
147.08037	2.3
147.11696	0.7
149.09616	0.7
159.11539	0.6
161.09749	0.7
164.72598	0.6
185.58485	0.6
223.13301	1.1
249.14891	1.0
273.18488	3.6
287.64349	0.6
291.19528	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	Tuberatolide A
Peak:m/z	Relative Intensity
51.49879	3.1
55.01882	6.4
55.05513	30.2
57.03434	19.8
57.07051	3.8
57.96626	3.5
58.10180	3.7
62.43092	3.6
67.05511	42.2
69.03450	5.2
69.07068	22.9
69.78870	3.5
71.04990	6.4
79.05487	50.0
81.07062	60.1
83.04966	6.2
83.08601	18.6
90.48321	3.8
91.05476	44.0
93.07047	60.1
95.04974	17.2
95.08605	25.3
97.06441	3.8
97.10168	17.6
100.89323	3.4
105.07031	48.7
107.04991	8.2
107.08627	31.3
109.06504	21.8
109.10151	21.6
111.08075	30.5
117.07008	32.8
119.08563	35.4
121.06505	8.8
121.10123	22.0
123.04417	16.5
123.08063	23.1
128.06235	3.9
129.07016	4.3
131.08577	39.3
133.06474	6.5
133.10106	9.3
135.08063	43.3
135.11664	6.2
139.03897	22.2
143.08562	24.1
145.10107	56.0
147.08069	8.1
147.11674	5.4
149.09618	9.2
149.13254	6.3
151.07547	67.4
157.10109	16.2
159.11694	21.2
161.09651	15.7
171.11642	8.8
175.75970	3.4
181.10117	4.7
189.12744	25.6
195.72865	4.3
207.13768	40.2
217.15971	7.0
255.17380	6.6
273.18518	70.8
275.00992	4.6
291.13898	5.3
291.19592	100.0
291.26697	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01868	4.8
55.05509	13.2
57.07067	2.4
58.30345	2.8
63.37651	2.6
67.05491	17.1
68.81427	2.4
69.03419	3.6
69.07063	11.7
72.08428	2.7
79.05503	22.9
81.07068	36.0
83.04969	5.6
83.08601	5.7
91.05465	17.2
93.07015	23.8
95.04962	12.9
95.08575	23.3
105.07015	17.8
107.04941	7.1
107.08571	22.0
109.06528	10.7
109.10133	18.1
111.08074	4.1
117.07034	5.3
119.08548	20.4
121.06482	15.0
121.10123	14.9
123.04421	50.0
123.08054	6.0
129.07010	3.7
131.08566	7.1
133.06523	5.3
133.10109	21.8
135.08063	21.1
135.11681	2.8
137.09613	5.3
139.03893	92.6
143.08562	6.3
145.10104	15.1
147.04430	19.5
147.08040	12.6
147.11690	5.7
149.09618	16.2
151.11198	3.9
157.10075	4.2
161.05952	3.8
161.09607	11.9
161.13237	3.5
163.11171	3.2
165.05502	14.0
166.85022	2.8
171.11659	4.8
173.04410	2.9
173.35170	3.1
175.11214	2.8
189.12840	3.1
207.06534	3.5
230.10925	3.2
245.18933	5.4
248.11940	12.4
249.12660	3.7
263.14276	18.0
267.91968	3.3
273.12595	3.6
273.18491	39.4
276.11475	4.8
291.08575	12.0
291.13834	68.5
291.19528	100.0
291.23102	13.9
295.64941	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	292.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31277	0.9
65.00152	0.9
95.04910	1.5
119.04894	2.5
120.05218	3.5
123.04417	61.0
123.05322	2.0
124.04755	49.2
127.03943	1.1
139.03894	100.0
140.04230	92.6
143.04942	1.2
147.04404	19.1
148.04726	20.4
151.03815	2.5
152.04231	2.2
161.05975	3.9
162.06328	13.2
164.04187	1.7
165.05464	13.3
166.05774	16.4
169.04991	2.0
178.05795	1.1
179.07019	2.0
180.07408	5.0
182.05258	1.2
207.06517	4.7
207.08383	1.1
208.06866	13.2
274.07932	1.2
292.08948	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02239	0.9
56.05092	1.0
56.93468	1.0
67.05502	1.1
77.82363	1.0
82.11251	1.1
83.04976	1.1
85.51647	1.1
95.04975	1.5
96.60750	1.1
99.40653	1.0
113.28629	1.0
119.04926	1.9
120.05262	4.7
123.04424	63.3
124.04755	52.9
135.04402	1.2
137.78027	1.1
139.03899	100.0
140.04231	92.0
143.04909	1.2
145.79372	1.3
147.04404	17.0
148.04745	25.7
151.03842	2.0
161.05981	4.7
162.06317	12.3
164.04195	1.6
165.05486	10.6
166.05803	13.1
178.05785	1.3
178.74048	1.1
179.06992	2.4
180.07430	7.8
190.05804	1.3
202.74165	1.2
204.82228	1.2
207.06514	8.5
208.06874	13.6
210.04839	1.2
250.07704	1.5
274.07916	1.3
280.94879	1.3
292.08975	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	292.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69233	1.9
52.27851	1.9
56.30487	2.0
66.84805	2.6
88.04019	2.2
89.97658	2.3
119.10709	2.2
123.04421	53.1
124.04752	49.6
130.06523	30.1
131.06874	50.9
132.08093	3.6
133.08423	5.2
133.13464	2.6
139.03905	100.0
140.04242	82.2
141.75284	2.4
146.06018	5.5
147.04399	12.8
147.06352	10.2
148.04741	26.2
151.03825	3.5
152.04184	2.7
157.08458	3.3
159.09172	32.8
160.09517	63.8
162.06290	4.9
165.05496	9.7
166.05814	14.4
170.05994	9.3
171.06348	25.6
173.07927	2.6
180.07324	3.1
183.30089	2.9
184.09496	2.4
185.08095	17.2
186.07468	30.1
188.07083	15.2
189.07385	40.4
201.07411	4.2
202.10500	11.5
208.06870	11.0
215.56815	2.4
228.08507	41.2
228.45918	2.3
245.09221	3.2
246.09541	79.5
256.07916	2.9
274.08990	15.4
292.09042	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	292.1542
Annotation	Convolvine
Peak:m/z	Relative Intensity
55.01864	6.6
55.05283	2.0
55.05520	38.1
62.57267	1.2
69.07076	15.1
78.34979	1.1
79.02963	1.2
79.92638	1.5
83.08620	75.6
86.09716	2.1
91.05479	93.4
98.98383	1.3
103.05465	1.4
106.06555	12.8
107.87014	1.4
111.08083	13.1
113.06728	1.3
118.06507	6.1
119.04931	24.9
123.04404	2.5
124.04743	3.2
128.10713	38.8
129.08994	1.5
136.07556	8.3
137.46672	1.4
139.03865	15.0
140.04243	12.9
140.78323	1.4
147.04388	6.0
148.04778	2.1
165.05475	7.2
182.08125	45.5
246.14822	2.5
251.16486	2.8
271.09940	1.2
292.15439	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	292.1543
Annotation	Convolvine
Peak:m/z	Relative Intensity
54.48156	1.4
55.01891	2.2
55.05520	24.7
56.43476	1.8
63.25031	1.7
69.07065	11.7
83.08617	50.3
91.05481	63.2
106.06577	6.8
109.94434	1.6
111.08104	11.5
118.06582	2.2
119.04939	12.5
123.04408	6.6
124.04791	7.6
128.10695	28.1
136.07605	7.5
139.03899	16.1
140.04214	13.4
147.04453	3.4
148.04837	1.9
177.14024	1.9
182.08102	37.4
225.25706	1.8
251.16473	2.4
259.77759	2.1
264.14844	2.1
277.11829	2.2
292.15491	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	292.1907
Annotation	Lycoposerramine D
Peak:m/z	Relative Intensity
58.78600	0.5
59.37194	0.6
63.35361	0.6
66.28001	0.7
67.05490	0.8
69.07063	1.6
71.36871	0.6
75.01962	0.6
78.17862	0.7
81.07034	3.0
83.08624	1.2
86.21083	0.7
87.26572	0.6
91.05517	0.9
92.18571	0.7
93.07005	1.0
95.08611	0.9
105.07030	1.4
109.10146	2.4
119.08552	2.9
121.10122	1.3
121.48537	0.7
123.11723	5.5
133.10196	1.0
133.16547	0.7
135.08058	3.3
145.10117	1.2
147.08073	0.7
152.07077	2.6
154.08611	3.1
163.07542	0.9
164.07097	0.8
168.10229	1.1
170.08171	0.8
175.14769	3.2
177.04414	1.0
178.08614	0.9
185.10797	0.7
185.13228	1.3
192.10185	1.4
195.11679	0.9
203.14342	5.8
204.10220	1.2
206.11720	1.2
213.12817	4.5
218.11748	3.4
218.15318	1.0
219.05412	0.9
231.13815	6.7
246.18616	5.6
251.16393	3.7
256.17014	7.4
259.15588	1.4
274.17993	100.0
292.13794	4.2
292.19052	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
92.17928	5.7
159.45676	4.0
178.14130	4.7
251.04425	7.6
269.05472	10.1
293.06332	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80872	2.9
63.34938	4.3
81.03418	5.7
90.28999	3.2
91.07529	3.5
98.97567	19.2
100.05207	4.5
109.02892	18.5
119.01898	4.9
143.01955	3.7
173.03224	3.5
189.83559	4.1
206.07077	5.5
215.07657	15.0
218.99562	4.0
235.06671	5.7
251.04361	31.3
253.07808	7.2
269.05283	33.2
275.06247	6.2
293.06271	100.0
311.06494	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.072
Annotation	Unknow
Peak:m/z	Relative Intensity
73.83651	1.3
97.61618	1.2
109.32668	1.5
112.89564	2.5
119.01860	7.8
129.68559	1.3
131.01891	1.4
140.63667	1.5
143.01891	16.0
145.03398	2.9
157.03481	15.8
159.04886	1.5
161.02930	15.9
169.03346	7.7
173.02904	5.7
175.02773	1.4
175.04427	8.1
185.02840	3.2
187.04407	6.8
188.91483	2.7
197.03090	1.5
229.05505	2.5
247.06718	2.1
251.04143	5.9
269.05353	1.8
275.02997	2.8
275.06055	27.3
292.92679	2.5
292.95798	1.7
293.06155	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	293.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47393	1.1
80.06189	1.2
81.78847	1.4
85.02916	1.5
86.14270	1.2
91.05469	2.3
95.04986	1.7
99.65270	1.4
103.07549	1.8
119.04927	3.0
120.05277	2.2
123.04426	75.0
124.04755	40.5
124.07565	2.8
125.04905	33.4
127.03940	2.0
131.04927	9.0
136.06198	1.8
139.03902	100.0
140.04237	72.4
141.04376	86.2
143.04939	1.5
145.05573	1.7
147.04419	21.4
148.04742	15.5
149.04994	19.7
151.03841	2.4
152.04224	1.5
161.05994	8.6
162.06308	5.2
163.06573	7.7
165.05504	13.4
166.05797	8.8
167.05968	14.6
179.07108	2.7
180.07356	2.0
181.07579	3.0
207.06479	2.3
208.06854	6.0
209.07071	13.8
230.11690	2.8
248.12923	2.1
251.08212	1.4
257.12802	3.0
258.11188	2.0
267.59457	1.6
275.08261	2.2
275.13840	6.8
293.09177	30.9
293.14789	12.8
313.13525	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	293.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61912	0.7
55.05219	0.7
57.03439	3.4
60.34962	0.7
67.05507	1.0
69.03428	1.8
70.55082	0.7
71.04972	3.4
73.02936	0.8
83.40176	0.8
85.02895	4.1
85.06522	5.8
87.20225	0.8
92.17941	1.2
97.02893	5.1
99.04445	1.5
103.07590	11.0
109.02853	1.7
113.06013	7.0
127.03951	3.5
130.08624	1.0
131.04912	2.0
131.07051	3.3
131.08948	0.9
133.07571	1.7
136.06184	37.7
137.05937	2.1
139.03807	0.8
143.04956	0.9
147.04381	1.5
148.06316	3.8
149.05902	1.2
149.07030	1.0
161.07091	100.0
163.07530	1.2
173.07138	4.0
173.10742	1.2
174.07913	6.1
175.07390	1.5
175.08699	4.2
177.05479	2.0
186.07816	1.2
191.08098	6.1
201.10236	25.1
203.07011	1.7
211.08615	4.7
212.07021	1.1
221.07184	3.1
227.08177	2.0
229.09743	11.6
239.08105	8.5
245.09212	30.6
252.10960	4.8
257.09171	41.7
269.05420	1.2
275.10318	20.1
275.34390	0.9
293.05966	1.3
293.11334	27.6
293.14807	1.8
311.06607	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	293.123
Annotation	Itoside L
Peak:m/z	Relative Intensity
57.03433	6.2
57.07089	10.9
61.02930	3.6
67.05499	7.0
69.03423	12.3
69.07079	2.7
71.04993	24.6
73.02907	3.0
73.39915	1.3
81.03433	2.9
85.02901	68.6
85.06533	6.7
85.55089	2.0
91.03947	1.7
95.04959	22.3
96.04451	2.4
97.02905	16.4
99.04446	2.6
103.07579	9.1
105.52031	1.6
109.02882	3.7
112.76213	1.4
113.05993	37.2
118.24027	1.5
123.04417	7.3
127.03934	12.4
131.07030	100.0
138.35452	1.7
139.03905	8.3
140.04199	3.5
140.07066	7.3
141.04407	2.8
145.04947	16.1
145.36081	1.7
147.11737	1.4
150.05574	1.6
152.07053	1.7
154.08603	2.0
156.70288	1.9
163.06035	2.4
165.05440	1.7
175.70451	1.4
188.07156	1.8
206.08092	11.5
247.13631	2.2
275.13934	3.3
293.11313	16.7
293.14868	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	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
50.01775	0.6
54.44960	0.7
55.01863	0.8
55.05516	25.5
57.03432	0.8
57.92907	0.8
64.19849	0.8
65.03970	0.8
67.05505	2.1
69.03439	1.3
69.07052	1.9
71.05001	6.0
73.06548	8.0
81.03419	1.8
81.07040	4.1
83.04910	0.8
83.08578	0.9
91.05466	3.8
93.07013	3.1
93.48083	0.8
94.92272	0.8
95.04958	1.0
95.08607	4.5
96.29707	0.8
98.86826	0.8
101.05981	1.0
105.07016	1.6
105.11621	0.9
107.08581	1.5
109.10149	1.3
117.07019	1.3
119.08589	2.0
121.10129	3.6
129.07016	2.0
131.04890	3.5
131.07021	1.4
131.08572	6.6
133.10097	2.0
135.08051	1.3
135.11685	1.1
137.09627	1.6
139.09615	0.8
141.06987	3.5
145.10075	1.8
147.17308	0.8
149.02336	100.0
149.18102	0.9
155.08580	3.5
157.10088	1.1
159.11693	3.4
161.06001	5.3
173.13274	3.9
175.07510	23.7
175.08954	1.2
183.11694	7.3
201.12761	3.9
203.07008	24.3
205.10089	1.0
244.56001	0.9
275.12772	8.1
275.20056	1.7
293.14084	6.3
293.17416	11.5
293.21118	4.5
293.24268	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	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95936	0.4
65.56300	0.4
67.21793	0.4
71.04990	0.7
75.28996	0.4
93.07097	0.7
107.08582	0.9
107.80051	0.4
121.06483	2.1
128.47171	0.4
135.08070	5.6
135.74294	0.4
145.06480	100.0
163.07538	18.6
205.08588	13.2
220.98468	0.5
232.53375	0.4
243.04950	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	293.1493
Annotation	Fusarochromanone
Peak:m/z	Relative Intensity
61.02903	9.3
67.05485	3.5
69.03413	1.9
72.48755	2.0
75.86343	1.8
83.04955	3.0
85.06522	2.2
92.17946	3.4
93.06979	2.0
96.04441	11.3
97.02869	2.0
106.88512	1.7
107.60651	1.7
124.07577	16.0
131.04890	16.8
131.08482	2.3
138.09119	22.8
142.92142	2.0
146.05936	2.4
146.09546	2.1
152.06866	2.2
164.06982	2.2
164.10628	3.4
174.05452	2.9
174.12804	2.7
177.13882	14.2
185.09592	3.1
188.09001	2.1
188.10687	54.4
190.10904	10.0
190.12375	1.9
192.10121	2.4
200.09406	2.0
201.10136	4.0
202.12222	8.7
205.11545	3.4
205.13344	95.3
205.15240	4.1
206.11533	1.7
211.08662	1.8
213.08977	2.4
215.09525	6.6
216.10245	15.1
228.08853	14.5
229.07628	2.8
229.09715	37.9
229.13268	7.0
230.08136	3.1
230.11716	72.5
233.12828	72.8
239.11693	2.7
244.12077	18.5
247.14490	2.4
257.12863	43.7
258.11240	46.6
275.11115	3.0
275.13876	73.6
293.14786	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	293.1495
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
57.37569	0.5
58.75724	0.7
63.28491	0.7
68.41962	0.6
70.70992	0.6
123.04413	0.9
139.03851	1.3
156.25198	0.7
161.05978	0.8
161.07140	1.5
164.12662	0.7
206.10451	0.9
219.14931	13.0
229.13330	5.5
232.12029	3.7
247.14400	44.6
257.09448	0.7
257.12790	5.8
260.11502	1.5
275.13876	100.0
293.14944	89.4
295.39395	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	293.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92569	0.9
66.93697	1.1
69.07040	1.1
75.45954	1.0
78.53738	1.1
91.05437	1.7
95.04910	1.0
95.08598	2.1
107.08595	1.4
119.08533	1.4
125.67278	1.1
131.08440	1.1
135.08064	1.1
145.06581	1.3
158.07349	1.1
159.08078	1.6
159.99786	1.2
167.08458	4.2
171.08057	2.5
173.09476	1.3
174.35429	1.2
179.08592	1.4
181.10062	1.1
186.60535	1.0
188.89914	1.2
192.09253	1.6
193.10114	2.5
194.10829	1.0
195.07957	1.7
195.11690	4.9
195.71884	1.0
206.10910	1.2
207.11696	5.6
208.12390	1.8
209.09599	6.0
217.10141	2.2
218.10884	2.3
221.09584	1.5
221.13153	1.7
222.10396	1.8
223.11143	6.3
231.11679	1.3
232.12384	9.1
233.09608	1.4
233.13252	2.3
234.14011	1.5
235.07455	1.7
235.11087	6.3
236.11894	4.9
237.12711	3.9
237.16299	1.4
247.14760	10.1
249.12706	1.9
250.13426	7.8
251.10703	4.7
251.14172	9.1
260.11978	7.3
263.10641	3.8
265.15829	15.6
275.14319	10.3
278.13028	7.3
293.15332	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	293.1533
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
50.75757	0.6
50.88273	0.7
51.20177	0.6
58.96682	0.6
67.05474	0.8
69.03424	1.4
75.24199	0.7
79.05488	1.3
80.23185	0.8
81.07040	1.5
91.05477	2.8
93.07037	0.9
95.04936	1.0
105.07027	6.0
107.08577	3.0
117.07020	0.9
119.08561	4.1
121.06465	1.0
121.10114	0.9
129.06915	1.0
129.74814	0.9
131.08575	4.0
133.06477	1.8
135.08058	3.1
143.08528	3.0
145.06470	1.3
145.10109	1.7
150.24580	0.8
155.08467	1.1
157.10089	3.1
159.08044	1.8
160.80205	0.9
164.24615	0.8
165.06908	1.7
167.08556	1.3
169.10089	1.7
171.08015	1.6
173.09595	1.4
179.08592	3.8
180.09335	1.1
181.10120	3.9
183.11662	0.9
185.09691	1.4
193.10170	4.5
194.10895	1.4
195.11650	6.6
197.09627	3.5
203.08559	0.9
205.10112	3.7
206.10847	1.6
207.11723	6.1
208.12503	1.8
209.09547	8.0
209.13202	3.9
211.11136	3.0
217.10075	5.4
218.10864	1.8
219.11650	3.2
220.08746	1.0
221.09613	1.5
221.13214	3.8
222.10379	3.7
223.11195	7.6
223.14801	3.4
231.11612	1.2
232.12445	7.6
233.09644	1.6
233.13264	4.3
235.11235	6.4
235.14673	1.1
236.12012	4.5
237.09171	1.7
237.12747	4.3
237.16322	3.7
242.10864	0.8
245.09512	3.3
246.10490	1.0
247.11148	1.5
247.14777	9.1
249.08972	1.0
249.12740	8.2
250.13622	6.0
251.10681	4.1
251.14226	7.4
255.04732	0.9
260.11935	10.8
263.10669	4.4
263.14157	1.7
264.11334	0.9
265.15833	17.3
275.14276	13.7
278.13016	7.5
293.15341	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	293.1535
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
52.05094	0.7
52.53449	0.7
53.41174	0.7
55.05509	1.3
57.07047	0.9
67.05497	2.1
69.03395	1.2
69.07045	1.7
70.31645	0.8
81.03428	1.0
81.07067	5.9
83.04977	1.1
85.29063	0.9
91.05495	1.7
92.17706	1.0
93.07011	5.3
95.04957	1.7
95.08604	9.0
97.10144	1.1
99.65701	0.7
103.05421	0.8
105.07026	3.6
107.08586	5.6
109.06467	1.0
109.10147	2.1
111.08035	1.3
117.07027	1.0
119.08553	4.6
121.06449	1.6
121.10127	3.9
123.04401	3.2
123.08058	0.8
123.11724	1.5
125.09637	4.3
129.07005	1.3
131.04915	5.9
131.08574	4.0
133.10078	3.6
135.08073	3.0
135.11699	1.0
137.05988	8.7
137.13210	1.7
143.08534	4.7
145.06436	3.0
145.10094	2.1
147.07961	1.0
149.09555	1.7
151.64423	0.8
157.10123	1.1
159.08083	1.2
160.15907	1.2
161.06030	1.4
163.11208	1.2
169.06479	3.0
169.10133	1.1
171.08018	3.5
171.11572	1.0
173.05922	1.1
179.08504	3.5
180.09341	1.5
181.10100	5.5
185.09526	1.4
187.14755	1.1
192.09317	1.0
193.10138	2.0
195.11674	6.7
196.08904	1.4
197.09744	1.7
203.08444	1.3
204.09366	1.0
205.10100	3.6
206.10870	3.4
207.11676	5.3
208.08859	1.0
208.12425	2.1
209.09601	5.3
209.13179	4.3
211.11198	1.4
215.08557	1.4
217.10139	4.4
218.10873	2.0
219.11702	3.3
221.09653	1.6
221.13229	5.0
222.10399	1.8
222.14018	3.8
223.11218	5.9
223.14735	4.0
225.09091	0.9
232.12505	9.7
233.09567	4.8
233.13287	4.9
235.11145	4.8
235.14832	1.1
236.11887	4.0
237.09026	1.6
237.12677	1.5
237.16469	3.1
242.21515	0.8
246.10417	1.1
247.14775	10.8
249.12656	5.9
250.13539	7.3
251.10655	4.1
251.14310	5.2
257.13086	1.1
260.11990	6.0
261.09109	4.8
263.10797	1.3
265.15836	15.2
275.14282	10.7
275.20062	5.4
275.23181	0.8
278.09750	0.8
278.12930	5.9
293.15329	100.0
293.21005	10.4
293.24466	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	293.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54807	1.3
67.05502	1.5
69.07085	1.7
79.05495	2.9
81.03415	1.8
85.02895	1.5
89.30468	1.3
93.07027	2.2
95.04943	2.9
95.08589	1.6
103.05428	1.8
105.07012	5.4
107.05001	2.1
117.22020	1.3
119.08543	2.2
129.06989	2.4
131.04910	10.9
133.10161	1.7
143.07333	1.4
143.08510	2.1
147.08075	2.2
149.05984	1.5
155.08496	1.6
157.10133	2.1
159.08029	5.6
167.08603	1.8
169.10056	2.1
171.08131	1.8
177.43350	1.3
179.08571	1.5
181.10004	2.7
185.09535	1.8
193.10107	2.7
195.11691	3.1
197.09650	6.1
204.09442	2.0
205.10104	1.6
207.11700	6.3
208.12439	1.6
209.09642	2.6
211.11212	2.0
217.10120	2.8
218.10989	1.9
219.11687	2.3
221.09537	2.1
221.13251	2.9
223.11229	7.2
223.14592	1.9
232.12454	7.4
233.13147	1.7
235.11209	7.2
236.11926	2.6
247.14880	6.5
249.12645	2.1
251.14536	2.8
259.11072	1.6
260.12061	1.9
265.15863	7.5
275.14331	8.3
278.13129	2.0
293.15378	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	293.1535
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
54.46258	0.6
58.77163	0.8
67.05495	1.5
69.03419	1.2
69.07060	1.9
69.91599	0.7
73.38517	0.7
75.85583	0.8
81.07072	1.0
91.05493	0.8
92.12035	0.8
93.07033	1.5
95.08557	1.8
105.07011	3.3
107.08587	1.6
117.07027	1.2
119.08559	1.3
121.06515	0.9
123.08067	1.5
130.69080	0.9
131.08510	1.3
133.06555	0.9
133.10138	1.5
136.70074	1.2
143.08505	1.4
145.06470	1.0
145.10095	1.1
147.07947	1.0
155.08559	1.5
159.08018	1.1
165.06940	1.4
167.08563	3.2
169.10146	1.9
171.07973	3.3
173.09618	1.1
179.08517	1.9
180.09274	1.1
181.10069	3.9
183.08044	1.6
183.11670	1.6
185.09550	1.1
193.10143	1.3
195.08003	1.0
195.11639	5.9
197.09579	1.5
197.13297	1.5
203.08594	0.9
205.10098	1.6
206.10847	3.2
207.11711	5.2
208.12456	2.0
209.09669	6.3
209.13290	1.8
217.10063	1.2
218.10960	1.0
219.11748	1.2
219.13728	1.1
221.09616	1.8
221.13301	1.8
222.10365	1.6
222.13911	1.1
223.07555	1.1
223.11133	5.5
223.14844	4.0
231.11725	1.0
232.12325	7.0
233.09665	1.0
233.13263	3.4
235.07545	1.3
235.11140	8.2
236.11961	3.5
237.09099	1.9
237.12703	3.3
237.16389	3.4
241.30627	0.8
245.09644	2.9
247.11047	1.3
247.14931	8.2
249.12701	4.5
250.13539	5.8
251.10547	4.6
251.14229	7.4
252.16731	3.7
260.11954	6.0
262.85080	0.8
263.10654	3.9
263.14133	1.2
264.11029	1.0
265.12024	0.9
265.13181	1.0
265.15891	14.2
275.14270	9.5
275.20181	1.1
278.12936	7.3
279.80310	0.8
293.15317	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	293.1747
Annotation	7-Demethoxy-7-oxo-albocycline
Peak:m/z	Relative Intensity
51.21521	2.6
55.05517	27.4
57.03434	5.0
64.82196	2.9
67.05502	4.7
69.07043	5.6
81.07043	5.5
85.50394	2.8
86.41853	3.5
91.05488	3.8
95.08589	6.7
97.10152	4.6
97.44540	2.9
135.08058	4.2
137.05968	51.2
149.05969	16.0
151.07607	3.5
163.07520	96.1
175.07527	14.4
177.05548	21.6
177.09103	82.6
178.06276	7.4
179.07019	12.7
181.04985	17.6
187.07552	4.2
189.09087	7.0
191.07014	73.9
191.10696	19.9
192.07797	13.4
201.09128	4.7
203.10617	7.0
205.08624	15.0
205.12315	4.2
215.10812	3.9
247.16951	14.7
249.18509	13.7
257.15344	11.6
275.16263	66.6
293.17548	100.0
293.20804	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	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.00618	1.6
55.05521	3.9
59.81519	1.5
67.05521	15.7
68.00828	1.5
69.07077	17.8
71.44466	1.7
79.05479	8.1
81.07061	22.4
83.05001	3.6
83.08605	4.1
84.58325	1.7
91.05481	11.7
93.07048	14.3
95.04922	3.2
95.08592	11.2
97.06503	2.0
105.07032	14.7
107.04983	3.7
107.08611	10.3
109.06497	9.9
109.10150	7.2
119.08565	10.6
121.06501	4.3
121.07973	1.8
121.10114	9.3
131.08553	13.5
133.10144	14.3
135.08018	3.1
135.11688	2.3
145.06490	2.6
145.10141	9.7
147.11674	10.2
149.09624	7.7
149.13309	2.3
151.11230	7.4
159.08110	1.8
159.11728	3.5
161.13286	2.4
163.11177	2.8
173.09584	2.1
173.13231	7.5
175.11205	2.1
191.14273	2.8
201.12640	2.0
207.13925	1.9
219.13821	3.3
232.74277	1.8
247.20624	2.0
257.19000	13.3
275.20047	100.0
293.21106	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.25781	3.9
55.01890	5.6
55.05518	16.7
64.95834	3.8
67.05502	49.8
69.07073	34.2
74.40545	4.3
77.88808	3.8
79.05490	26.7
81.07059	100.0
83.08611	16.8
85.06538	4.4
85.88652	5.5
91.05473	29.3
92.17820	7.9
93.07021	37.5
95.04973	17.8
95.08598	41.7
97.10149	5.2
105.07027	28.5
107.04929	9.1
107.08604	37.7
109.06525	40.6
109.10149	19.5
111.08076	6.4
119.08587	41.7
121.10145	18.9
123.08093	18.3
123.11668	7.9
131.08559	9.7
133.10129	29.0
135.11656	7.0
137.09590	10.0
145.10129	8.8
147.11708	29.3
149.09593	16.8
149.13249	7.1
159.11659	16.1
163.11214	4.4
173.13293	6.6
247.20479	6.0
257.19089	8.2
275.20065	98.4
293.21106	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.70271	1.9
53.88280	2.0
53.89725	2.1
54.30618	2.0
55.01868	11.6
55.05515	23.5
57.18956	2.8
58.56441	2.6
67.05511	31.5
69.07062	14.0
71.04973	2.8
79.05494	48.8
81.07070	21.7
83.04983	6.2
83.08609	17.1
85.06566	2.6
91.05477	13.0
91.29345	2.4
92.18501	5.0
93.07025	28.0
95.08600	13.1
96.19743	2.3
97.06519	30.1
97.09615	2.0
97.10137	24.7
105.07023	16.5
107.04965	21.0
107.08606	46.3
109.10143	16.3
114.14653	2.1
117.07028	5.7
119.08560	17.8
121.10120	13.5
123.08205	2.3
123.11687	5.1
125.09624	26.5
125.65749	2.7
129.45776	2.3
131.08546	5.8
133.10100	20.0
135.08049	4.6
135.11719	5.2
140.57452	2.4
141.07104	2.5
145.10141	12.5
147.11676	11.8
149.09613	75.3
159.11678	5.5
161.13165	3.2
163.11205	3.6
173.13252	3.9
189.11223	12.4
200.15822	2.7
229.19556	5.1
247.20590	3.0
257.18951	14.1
275.20050	100.0
293.21204	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	294.17
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84044	1.0
65.50347	1.0
68.17191	0.9
71.08315	1.1
71.08636	20.8
71.32805	0.9
75.98881	0.9
81.07056	1.2
88.07612	1.0
91.05485	50.1
99.08090	11.3
103.05428	1.5
119.04937	10.3
120.08091	19.3
130.12279	100.0
132.08099	1.7
150.09071	1.0
190.09595	1.1
196.09691	34.1
228.44736	1.1
248.16412	1.2
294.17145	10.9
294.20044	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	294.17
Annotation	Anastrozole
Peak:m/z	Relative Intensity
50.86285	0.9
52.48676	1.0
53.73750	0.9
56.36846	0.9
57.07092	11.1
58.30090	1.0
67.24091	1.0
78.96098	1.3
85.10182	33.7
88.07614	2.3
91.05479	100.0
95.08582	5.0
106.06550	9.8
113.09642	29.6
118.06525	2.7
119.04931	24.3
125.60088	1.1
130.12273	60.3
136.07568	13.0
147.04402	5.5
159.45705	1.2
165.05466	5.5
174.68402	1.1
182.08118	70.9
207.69534	1.2
248.16508	5.4
277.14340	2.7
294.16901	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	294.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22888	0.6
52.77852	0.6
53.00335	0.8
58.02957	0.8
67.05515	0.8
69.07055	1.2
71.08633	17.3
76.99429	0.7
77.39317	0.8
81.07047	0.9
86.06059	1.1
88.07628	1.2
91.04904	1.8
91.05477	54.2
93.08109	0.8
99.08083	10.1
103.05476	1.2
119.04948	12.7
120.08092	21.6
128.19688	0.9
130.12276	100.0
132.08110	5.2
134.45039	0.8
138.06248	0.7
147.04439	0.8
150.09106	1.6
154.79321	0.7
163.07513	0.8
164.07925	1.6
192.07515	0.8
196.09688	38.5
208.90735	0.8
276.16364	1.7
281.06467	0.8
294.16986	8.9
294.28128	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	294.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90657	2.0
63.60435	2.3
69.12404	2.4
71.08260	4.5
71.08630	100.0
82.57398	2.1
90.96165	2.4
91.05473	57.6
99.07471	4.2
99.08086	78.6
105.10987	2.4
119.04948	23.2
120.08102	93.5
130.12276	49.6
132.08066	13.4
147.04382	13.2
196.09702	66.6
253.12091	4.4
263.12738	10.5
294.17072	73.5
308.49014	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	294.17
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17510	0.8
58.02947	1.0
60.33372	0.7
62.06957	0.9
63.04050	0.8
71.08627	20.5
76.10582	0.8
91.05477	57.4
91.14794	0.8
99.08090	12.1
103.05453	1.1
107.25533	1.0
113.18276	1.1
119.04926	12.2
120.08083	19.1
130.12274	100.0
132.08087	4.3
149.01559	0.9
150.09079	2.0
161.72368	1.2
182.10583	1.1
185.87138	1.0
196.09692	42.6
240.10553	0.9
248.16379	1.2
252.28682	1.0
294.17130	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57961	0.3
60.06661	0.4
69.07064	0.9
74.06058	0.8
81.07044	1.5
82.06570	0.7
83.06208	0.4
93.07021	1.5
95.08584	2.3
100.07631	0.6
105.06998	0.9
107.08581	0.9
109.10137	1.7
110.06033	2.8
119.08566	0.8
121.10149	0.6
123.11720	6.4
124.07588	0.5
128.07077	10.3
133.10077	0.6
135.11731	0.8
138.05525	0.9
140.07043	2.1
149.13277	3.8
152.07065	12.9
154.08623	0.9
156.06541	10.2
168.10201	2.5
180.10208	1.8
182.11873	0.5
187.14815	3.9
189.16353	2.3
192.10243	0.4
194.11772	0.8
206.11679	1.7
208.13344	0.8
218.83826	0.4
220.13321	0.9
224.88567	0.4
248.20097	4.5
253.18036	0.8
258.18576	3.9
276.16556	0.8
276.19589	28.9
294.20636	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	294.2061
Annotation	(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
Peak:m/z	Relative Intensity
51.01580	0.4
58.41028	0.3
69.07034	0.5
72.04530	0.5
72.07445	0.4
72.94016	0.4
74.06081	1.0
79.94616	0.5
80.70525	0.4
81.07060	1.7
82.06570	0.5
86.49384	0.4
91.13390	0.4
93.07051	1.8
95.08582	1.0
100.07572	0.6
105.07056	0.5
107.08580	0.8
109.10124	2.1
110.06020	4.2
114.05570	0.5
119.08578	0.4
121.10155	0.7
123.11705	8.6
128.07072	11.7
133.10066	0.6
134.20262	0.5
138.05528	0.9
140.07069	1.8
147.11668	0.7
149.13193	4.0
152.07062	10.6
152.10690	0.5
154.07436	0.7
154.08615	7.1
156.06567	12.4
166.08612	0.6
167.14217	0.5
168.10204	2.9
173.13240	0.5
180.10153	1.9
187.14882	0.6
189.16350	2.1
206.11679	1.7
208.13416	0.6
220.13394	0.8
242.49104	0.4
248.20148	2.5
253.17970	1.8
258.18381	3.5
266.41522	0.4
276.19571	27.7
294.20618	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	295.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27019	0.4
64.99659	0.5
69.03419	0.5
72.89499	0.5
78.06309	0.4
81.03406	0.8
96.14651	0.4
99.04440	0.7
100.98051	0.4
101.00854	3.5
109.02867	3.7
115.02371	0.6
119.01892	10.3
131.01865	0.9
131.86215	0.5
133.03461	4.4
136.00533	0.5
137.02960	1.1
139.02325	1.0
141.00282	0.7
143.01860	5.9
145.03502	3.6
150.22896	0.5
151.04428	0.5
157.03448	15.0
159.01331	3.5
161.02948	12.6
163.04507	0.5
167.01900	3.7
169.03447	1.8
171.04938	0.7
173.02908	0.7
175.04494	12.7
183.05016	6.1
184.02290	0.7
185.02940	14.6
186.96883	0.4
187.04544	4.6
189.06061	0.7
194.20764	0.5
199.04514	7.3
201.06094	7.1
203.04004	10.0
217.05595	5.1
218.03627	0.8
227.03961	0.8
235.06541	1.8
245.05081	2.3
249.01215	3.4
253.07674	2.1
258.99747	0.5
259.06662	4.9
276.96805	1.8
277.07663	100.0
295.08725	65.6
295.16980	2.2
309.58109	0.5
318.10287	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73962	1.0
52.43451	0.9
53.03939	1.1
55.01879	16.2
57.03442	27.3
59.05009	3.7
61.02930	13.4
62.90640	1.0
69.03429	36.0
69.07069	1.8
71.01353	4.4
71.04982	1.3
73.02914	51.3
81.03407	6.8
81.07050	2.4
85.02901	100.0
87.04459	8.8
91.03955	1.3
91.05463	2.0
93.07034	1.5
95.04939	2.0
95.08579	2.1
97.02888	45.4
97.70749	1.0
99.04450	2.6
103.03925	4.2
105.07020	6.1
107.08573	1.3
109.02853	8.6
109.06477	1.8
112.80074	1.0
115.03918	30.1
117.06998	1.4
119.08576	6.1
121.06467	1.4
121.10136	1.7
127.03896	20.5
129.07033	1.2
131.08588	1.7
133.04967	41.4
133.06503	3.7
133.10126	7.7
137.09535	1.1
143.08572	1.6
145.04950	21.7
145.10155	1.6
147.08032	5.5
157.10152	1.5
159.08087	1.4
161.09645	1.4
163.05983	6.2
171.11737	1.5
175.07527	2.4
183.11594	2.3
187.11279	1.2
197.13226	1.9
199.11127	1.1
206.10883	1.6
207.11679	1.7
211.11275	1.9
214.83522	1.2
219.11824	1.1
221.13350	1.1
225.09087	1.1
225.12671	2.6
235.07494	1.4
235.11259	1.9
241.07082	2.5
251.14265	1.5
253.12199	4.1
253.15991	1.5
262.13635	1.2
267.17490	2.6
277.15829	4.6
280.07416	1.6
295.09723	7.4
295.13309	6.5
295.16904	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03970	1.7
55.01875	7.9
57.03187	1.9
57.03440	32.9
59.04996	3.0
61.02923	9.4
69.03432	100.0
71.01353	3.0
71.04967	1.6
71.08609	1.7
73.02924	31.2
80.33664	1.4
81.03423	15.3
83.04972	1.7
83.86310	1.4
85.02907	95.6
87.04465	58.0
87.04840	1.2
91.03934	1.8
92.17908	1.7
95.04996	2.5
97.02889	72.6
99.04449	7.5
100.08374	2.3
103.03936	8.3
106.61116	1.5
109.02889	5.7
115.03922	61.3
121.08466	2.1
123.04448	1.4
126.41783	1.3
127.03904	18.3
128.02126	1.3
130.12296	1.9
133.03949	2.6
133.04958	65.8
133.06480	1.9
133.34227	1.4
145.04962	21.7
148.55711	1.4
153.23624	1.5
156.06714	1.6
163.06038	1.9
169.04913	6.3
178.07635	1.3
192.09325	2.8
193.10182	2.2
199.05832	1.4
205.10236	1.8
207.11649	7.7
210.56323	1.4
216.73750	1.3
229.07184	1.5
235.11179	2.5
241.06985	2.5
277.09219	6.1
295.13364	8.8
295.17041	15.3
295.20245	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	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30473	0.2
55.05512	0.4
55.88948	0.2
57.03436	0.2
57.04089	0.2
57.04568	0.2
69.84573	0.2
73.02930	0.3
81.03411	0.2
84.08129	1.0
85.02893	0.5
93.07004	0.2
94.04044	1.0
95.08632	0.2
97.02885	0.4
97.10163	0.5
102.09200	1.7
110.84514	0.2
115.03988	0.2
115.11168	0.3
119.04926	0.3
123.11602	0.2
129.43452	0.2
133.04968	0.3
136.07597	1.8
150.07742	100.0
161.10721	1.4
187.64476	0.2
214.52692	0.2
217.13470	0.4
231.15117	0.2
245.12865	1.7
247.14452	0.3
249.15169	1.0
263.13937	0.5
277.15341	2.1
295.11517	5.9
295.16507	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	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16331	0.2
55.74372	0.2
56.05040	0.2
56.72367	0.2
58.04283	0.2
59.75821	0.2
61.74170	0.2
69.03428	0.2
72.96043	0.2
84.04506	0.5
84.08160	0.2
85.02910	0.2
86.09698	0.5
88.03986	0.3
91.05501	0.5
93.07063	0.3
94.04047	0.5
105.07053	0.2
109.02936	0.3
119.04935	0.4
120.08084	1.6
123.06672	0.2
133.10117	0.5
136.07567	7.0
137.05991	0.2
146.06018	0.4
150.07744	100.0
157.03214	0.3
166.08589	0.3
174.96791	0.3
177.09134	0.4
186.96867	0.2
249.12306	1.7
249.16112	0.3
277.11823	1.2
278.13806	0.3
295.11288	5.7
295.16165	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	295.1175
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
55.01876	1.8
57.03436	3.6
57.79580	1.4
69.03415	8.5
73.02929	14.7
73.12437	1.6
75.88368	1.7
81.03404	7.2
82.80991	1.6
85.02890	10.4
86.09705	3.5
97.02889	100.0
115.03943	7.5
115.05462	2.1
117.06998	12.9
127.03944	2.4
129.07001	3.7
131.04929	16.6
137.05972	25.5
141.06960	3.1
143.04881	13.8
144.05769	2.5
145.06477	34.8
147.04407	3.1
147.08025	2.4
151.07542	76.0
153.07025	3.2
157.06485	7.0
160.05205	11.0
161.05940	15.7
162.06796	3.6
163.07549	22.2
165.09071	7.2
167.05017	1.8
169.06488	10.3
171.08040	10.6
173.05925	4.0
174.06775	4.1
175.07529	98.6
176.08376	3.0
177.09099	22.3
179.06963	2.7
181.06465	12.2
186.06769	3.9
187.07535	37.2
189.09076	23.1
191.07018	15.5
191.10818	2.1
193.08630	10.6
197.06021	3.8
198.06816	4.1
199.07509	13.3
200.04680	7.5
201.09081	18.0
203.07098	15.7
203.10672	4.3
203.12454	2.2
205.08580	11.3
213.09087	11.7
215.07048	12.6
217.08640	9.7
219.10223	1.9
221.08157	2.7
226.09084	1.8
227.07124	2.9
229.08630	19.7
231.10173	11.7
233.08076	16.9
241.08533	3.2
247.09628	2.3
249.12413	6.9
259.09583	16.6
261.33136	1.9
277.10703	41.3
277.25464	2.0
278.52417	1.9
295.11737	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1176
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
51.88777	3.1
56.84457	3.4
59.05642	3.2
69.03436	5.6
73.02892	4.8
76.22404	3.5
83.39047	3.1
85.02888	17.6
91.05476	3.7
93.07021	3.7
97.02888	100.0
103.03922	5.3
105.07009	5.8
120.08129	27.7
121.06467	20.1
128.06238	3.5
129.06975	5.8
131.04944	13.7
131.08528	5.2
133.04910	3.9
133.06502	6.1
137.05984	29.7
141.06987	5.9
143.08598	5.3
145.06470	14.1
149.06009	7.6
151.07568	35.7
151.90462	3.5
157.06494	22.7
159.08057	8.3
161.05997	6.1
161.09697	3.9
162.06773	4.1
163.07521	16.8
165.09033	7.1
169.06543	4.4
171.08035	22.1
173.05943	8.4
174.06757	13.9
175.07515	31.7
177.09116	13.4
179.06979	23.3
181.06505	6.5
181.08525	24.1
185.05922	4.9
187.07576	19.5
189.09052	43.2
191.07016	7.6
193.08575	4.8
197.06038	4.8
198.06734	5.6
199.07573	24.4
201.09131	6.3
202.06189	3.5
203.07031	5.4
203.10713	14.3
205.08664	33.4
213.09085	14.0
215.07024	15.7
217.08606	28.3
221.08139	5.2
227.07059	7.4
229.08675	7.2
231.10207	19.1
235.09579	5.6
247.09717	7.9
259.09698	36.9
265.10709	14.4
277.10690	53.3
295.11630	50.7
295.16837	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	295.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22294	0.6
55.05510	0.7
57.25343	0.6
67.29327	0.7
69.03426	1.1
73.05435	0.7
79.05492	1.1
81.03410	1.0
81.07079	1.2
81.52115	0.7
83.08590	0.8
83.20571	0.6
85.02906	1.2
91.05441	1.1
95.08624	0.9
97.02901	7.8
99.04485	1.4
104.63349	0.7
105.07040	5.4
107.08578	4.6
123.08044	1.4
127.03904	2.7
133.06490	100.0
133.07407	3.5
151.07526	3.5
155.08617	0.8
155.67751	0.7
183.08104	3.1
185.09755	1.0
192.09366	1.1
197.09663	1.7
209.09578	1.3
211.11182	1.2
223.14804	1.0
224.11993	1.3
225.09068	5.9
235.11169	1.1
235.14746	0.9
237.29251	1.0
249.16295	1.4
252.11536	3.2
253.08453	1.0
253.12209	1.1
267.13791	9.5
277.10751	1.3
295.13260	22.6
295.16910	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	295.1287
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.66748	0.7
56.05029	6.5
56.96554	1.0
62.11578	0.8
62.87659	0.9
63.48255	1.0
69.49381	1.0
79.05502	1.4
82.02939	1.3
84.04507	100.0
84.08152	2.4
85.02911	7.2
100.43488	1.0
102.05541	72.7
102.20026	1.0
103.05480	2.4
105.07033	27.3
106.06559	38.5
120.08100	36.4
121.02849	1.3
130.04991	12.6
131.04926	55.5
131.05902	2.2
132.95844	1.3
133.10124	2.3
140.98515	1.2
144.08116	1.7
146.04504	3.7
147.66902	1.2
148.06029	1.5
172.07547	1.2
174.04012	7.6
174.96962	1.4
186.96855	1.3
186.99144	1.1
190.08714	1.5
213.00702	1.5
218.08162	4.9
234.98993	1.5
236.09155	19.1
249.02963	1.8
253.00089	5.0
277.07489	1.9
277.15997	1.3
278.10245	8.1
295.01038	2.2
295.08701	6.0
295.12915	21.9
295.16852	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	295.1288
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
54.04937	0.4
62.05221	0.5
69.03413	2.8
84.04505	28.5
85.02907	4.5
87.04454	1.1
97.02827	1.5
97.33954	0.5
102.05524	0.8
103.05457	2.6
107.04945	2.3
109.02892	0.7
112.05253	0.6
115.03957	2.3
120.08097	100.0
120.77693	0.6
130.05002	4.8
131.04909	5.8
131.24269	0.5
133.04988	1.1
145.06537	0.8
149.05960	2.8
150.07738	2.2
151.03941	0.9
151.92285	0.6
163.03929	0.7
165.07014	0.5
166.08623	39.7
169.04971	0.6
172.05821	0.5
175.07486	0.6
181.04974	5.5
186.09143	8.7
189.05447	0.7
193.05104	0.7
205.04807	1.6
207.06583	0.9
226.61911	0.6
229.04968	2.1
232.09583	4.8
235.06079	0.9
247.06023	7.6
259.06088	1.0
260.10364	2.5
265.06976	0.7
267.17398	0.7
275.90347	0.5
277.07028	1.2
278.10907	4.5
295.05612	0.8
295.08585	2.1
295.12878	8.9
295.16684	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	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
54.40144	2.5
63.45122	3.0
68.18404	2.7
68.45033	2.5
80.21760	2.8
84.04512	36.7
91.05514	3.8
95.08626	2.8
103.05494	2.9
105.07035	5.3
107.04979	6.5
115.35769	2.6
116.13015	2.7
117.07089	2.9
120.08093	100.0
130.05014	4.9
131.04947	3.6
131.08585	3.2
133.10187	11.6
149.33315	2.9
152.07039	4.6
154.95615	3.2
157.10139	4.1
166.08609	44.1
169.10126	3.3
186.09161	4.6
193.10146	4.4
211.11232	4.4
232.09773	6.2
249.16171	3.5
277.15533	4.7
295.09195	3.0
295.12930	20.2
295.16843	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1325
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
52.61285	0.6
57.73470	0.7
67.05517	0.9
69.03420	1.8
79.05466	1.9
81.07066	3.1
83.05013	0.9
90.11687	0.9
91.05461	1.2
95.04967	1.5
97.06534	11.1
103.35236	0.8
105.07059	1.6
107.08592	1.0
109.06487	1.7
110.18666	0.9
116.92255	0.9
117.07000	1.3
119.08559	1.9
121.06528	0.9
123.04416	1.0
125.05981	23.6
129.07002	1.6
131.08643	1.0
133.06473	1.6
133.10095	1.1
143.08514	5.3
145.06441	2.8
145.10159	1.0
147.07993	1.8
153.06973	0.9
155.08580	3.2
157.06462	1.8
157.10094	1.2
159.07970	2.9
165.06918	1.3
166.07738	1.4
167.08502	1.7
169.10135	1.4
171.08089	7.5
173.09605	1.0
178.07722	1.1
179.08530	3.2
181.10149	4.4
182.10953	0.9
183.08023	1.2
183.11688	3.7
185.09590	1.7
191.08627	1.1
192.09311	5.5
193.10088	8.5
194.10811	0.9
195.07977	1.2
195.11610	1.6
196.08827	0.9
197.09642	1.5
199.07397	1.2
199.11121	1.0
205.10077	3.3
206.10873	4.5
207.07988	1.4
207.11671	12.2
209.09592	7.8
210.10374	1.2
211.11211	4.5
216.09387	1.1
217.09998	1.5
219.08093	1.3
219.11697	1.1
220.08783	1.7
221.09552	3.4
221.13220	7.1
223.11214	4.9
224.11963	1.6
225.12778	4.7
231.11639	1.7
233.09622	1.4
234.10379	4.9
235.11118	11.6
236.11833	1.1
237.09041	1.8
237.12671	1.0
239.14264	3.3
247.11020	1.1
249.12642	12.5
249.16397	1.4
251.10667	3.5
251.14349	1.4
252.11415	1.4
253.12259	6.6
253.15961	1.0
262.09769	0.9
267.13776	7.2
267.17520	1.2
277.12195	4.9
277.15933	3.9
295.13284	100.0
295.16885	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	295.1329
Annotation	Methyl oroxylopterocarpan
Peak:m/z	Relative Intensity
56.73319	0.8
60.88456	0.9
65.27350	0.9
67.29758	0.9
73.62080	0.9
79.05489	1.0
81.07076	1.0
81.59068	0.9
91.05473	3.1
93.07023	2.1
95.04975	1.5
95.08589	1.1
95.49619	0.8
96.08149	1.2
103.05464	14.3
105.07028	10.4
107.04958	6.6
107.08601	1.2
109.10168	1.3
117.06995	1.3
119.04994	0.9
119.08572	1.1
121.06503	16.0
121.10159	1.7
123.04376	1.0
123.08061	1.8
131.04929	31.4
131.08562	1.0
133.06493	58.8
133.10191	1.3
135.08044	30.3
137.05991	12.4
143.08618	1.3
145.06468	16.9
147.08067	7.7
149.06027	3.2
151.07542	19.6
153.01837	1.1
157.06506	4.0
163.07536	100.0
171.08032	5.5
175.07593	4.4
175.14861	1.1
187.07581	4.1
192.09346	1.2
201.08965	1.0
207.08073	1.1
207.11707	1.2
211.11252	1.7
217.10178	1.6
220.08864	1.8
220.15160	1.1
225.12856	1.4
229.65530	1.1
235.11111	8.6
245.09622	3.9
248.08395	1.3
263.10675	12.3
267.17487	1.4
275.97675	1.0
280.10864	1.0
286.19916	1.9
294.70108	1.8
295.09860	1.9
295.13300	44.6
295.16809	7.7
295.19995	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	295.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02862	0.9
55.19912	0.9
66.17771	0.9
79.39046	1.0
81.07040	2.2
82.22552	1.1
85.02888	1.2
91.05479	2.1
93.07035	2.1
95.04947	1.1
95.08585	1.6
95.13898	1.0
96.03471	1.0
103.05469	13.9
105.07033	11.7
107.04913	6.4
107.08593	1.7
109.06528	2.1
117.07053	1.3
119.08598	3.7
121.02872	1.2
121.06499	16.2
123.08074	1.8
130.60159	1.1
131.04918	36.4
131.08517	1.3
133.06490	70.5
133.10162	1.1
135.08054	27.5
137.05983	10.3
145.06483	17.6
147.08052	8.1
149.05975	2.3
151.07536	21.3
153.01802	1.4
157.06470	4.4
157.09973	1.4
159.08081	1.3
161.09746	1.5
163.07526	100.0
171.08035	7.1
175.07509	5.7
187.07579	1.4
220.08693	1.4
220.65105	1.2
223.11230	1.3
235.11163	10.1
245.09636	2.0
253.12215	1.4
263.10599	12.1
280.10989	1.1
286.19815	1.2
286.96646	1.1
294.70276	2.5
295.08078	1.4
295.13306	40.6
295.16815	6.6
295.20520	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	295.133
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
52.99717	1.5
55.01867	3.0
55.05511	1.6
57.03448	1.8
67.05499	3.2
69.03419	3.5
79.05478	3.5
80.84468	1.7
81.03401	3.9
81.07043	9.4
85.02891	2.0
91.05483	6.9
93.07010	8.1
95.04962	2.8
95.08596	3.8
97.06522	3.7
103.05470	14.3
105.07024	18.8
107.04956	7.3
107.08627	2.9
109.06512	8.4
117.06995	3.2
119.04956	2.5
119.08573	14.0
121.06478	14.8
121.10117	2.4
123.08099	3.3
125.05968	8.0
129.06961	4.5
131.04922	29.0
131.08611	1.9
133.05557	3.6
133.06493	69.1
133.10106	11.6
135.08060	28.0
137.05971	11.8
143.08566	2.8
145.06488	25.1
147.08031	22.0
149.05989	6.5
149.09644	2.3
151.07501	19.9
155.08577	3.6
157.06467	4.2
159.08051	2.3
159.11682	2.8
161.05991	3.2
163.07529	100.0
165.06996	1.9
171.08040	3.8
171.11667	3.1
175.07515	9.3
179.08575	2.6
181.10059	3.6
182.07687	2.1
183.11688	2.9
193.10127	10.2
194.10876	4.0
195.11591	2.5
202.07791	1.9
207.11717	11.0
209.09602	7.0
209.13255	2.3
211.11148	3.8
213.08020	4.4
213.12729	2.2
221.13197	3.0
223.11227	4.4
225.12701	3.4
231.09099	18.1
234.14046	2.2
235.11209	13.5
239.14331	2.9
249.10049	10.2
249.12593	3.3
249.16289	3.9
253.12164	3.6
263.10666	11.9
267.13733	3.1
267.17249	6.7
277.12527	2.5
277.15836	7.0
295.09830	4.1
295.13297	96.1
295.16888	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.133
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
55.01873	2.1
57.03451	1.8
69.03416	2.4
69.07102	1.1
73.02906	2.9
74.37660	1.0
79.05472	1.9
84.88472	1.1
85.02902	7.7
91.05473	2.5
93.07030	1.8
95.04942	1.5
95.08613	2.1
97.02887	6.6
99.41146	1.2
103.05468	15.2
105.07027	12.9
107.04951	6.5
107.08582	1.4
115.03932	2.2
115.05432	1.2
115.78644	1.0
119.08636	2.0
121.06504	16.3
123.08074	2.6
127.03928	1.7
131.04927	29.3
133.04948	4.9
133.06490	61.6
133.10139	2.4
135.08046	28.7
137.05984	13.2
144.63087	1.2
145.05344	1.9
145.06454	18.6
147.08026	6.5
149.05974	2.6
151.07555	19.2
157.06482	6.0
157.10164	1.5
159.07921	1.4
163.07532	100.0
169.10127	2.3
171.08078	2.6
175.07521	8.4
178.99544	1.4
181.10129	2.0
185.09656	1.2
187.07642	1.9
192.09314	2.3
193.10124	1.2
207.11705	7.7
209.09724	1.9
211.11143	2.3
220.08812	2.7
221.09663	1.8
225.12698	1.9
235.11171	10.2
245.09534	2.4
253.12228	6.2
263.10696	11.1
267.13910	1.4
267.17349	1.7
277.15823	1.8
280.11035	1.4
295.13287	54.1
295.16779	18.1
295.20630	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	295.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99717	1.5
55.01867	3.0
55.05511	1.6
57.03448	1.8
67.05499	3.2
69.03419	3.5
79.05478	3.5
80.84468	1.7
81.03401	3.9
81.07043	9.4
85.02891	2.0
91.05483	6.9
93.07010	8.1
95.04962	2.8
95.08596	3.8
97.06522	3.7
103.05470	14.3
105.07024	18.8
107.04956	7.3
107.08627	2.9
109.06512	8.4
117.06995	3.2
119.04956	2.5
119.08573	14.0
121.06478	14.8
121.10117	2.4
123.08099	3.3
125.05968	8.0
129.06961	4.5
131.04922	29.0
131.08611	1.9
133.05557	3.6
133.06493	69.1
133.10106	11.6
135.08060	28.0
137.05971	11.8
143.08566	2.8
145.06488	25.1
147.08031	22.0
149.05989	6.5
149.09644	2.3
151.07501	19.9
155.08577	3.6
157.06467	4.2
159.08051	2.3
159.11682	2.8
161.05991	3.2
163.07529	100.0
165.06996	1.9
171.08040	3.8
171.11667	3.1
175.07515	9.3
179.08575	2.6
181.10059	3.6
182.07687	2.1
183.11688	2.9
193.10127	10.2
194.10876	4.0
195.11591	2.5
202.07791	1.9
207.11717	11.0
209.09602	7.0
209.13255	2.3
211.11148	3.8
213.08020	4.4
213.12729	2.2
221.13197	3.0
223.11227	4.4
225.12701	3.4
231.09099	18.1
234.14046	2.2
235.11209	13.5
239.14331	2.9
249.10049	10.2
249.12593	3.3
249.16289	3.9
253.12164	3.6
263.10666	11.9
267.13733	3.1
267.17249	6.7
277.12527	2.5
277.15836	7.0
295.09830	4.1
295.13297	96.1
295.16888	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
51.24060	0.3
54.28677	0.3
57.03428	1.8
69.03416	3.3
71.05006	0.5
73.02885	0.6
73.81397	0.4
79.05492	0.7
81.03413	0.7
85.02884	2.2
86.09692	0.8
87.04442	0.9
90.92708	0.4
91.05500	3.4
95.04916	0.5
97.02879	4.3
99.04491	0.8
103.07561	2.7
105.06987	0.6
107.04949	0.8
109.02853	1.4
111.88509	0.4
115.03915	0.8
119.04921	2.6
121.06493	0.7
123.04401	0.6
124.04741	0.7
133.04956	0.6
133.06415	0.4
133.10114	0.8
135.04414	0.5
136.07579	33.5
137.05951	0.6
139.03868	0.6
140.04272	0.8
141.04382	1.8
142.04642	0.6
145.04982	0.5
150.07726	2.1
151.03906	1.6
151.07497	3.2
161.10733	43.5
163.09685	0.5
175.07542	1.0
177.09096	2.1
233.07944	0.5
249.16235	0.6
277.15540	0.8
295.16519	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	295.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43480	0.2
51.83681	0.2
55.05497	0.4
56.57789	0.2
79.05486	1.2
80.04982	0.3
81.05796	1.5
81.07056	1.4
84.08161	0.2
85.02915	0.4
92.12948	0.2
94.06535	0.3
96.08130	8.8
106.06545	1.0
107.04964	0.2
109.06548	0.3
112.07603	3.2
117.71490	0.2
124.07585	100.0
126.09149	1.3
133.10133	0.3
136.07608	0.2
152.07108	0.4
154.08615	2.8
156.06584	0.5
172.09648	3.4
178.54317	0.2
232.13269	1.0
235.07726	0.2
259.14432	2.9
260.12790	1.3
277.15485	6.3
285.25262	0.2
295.09595	0.8
295.13089	0.8
295.16534	8.9
315.45538	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	295.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60951	0.4
73.02910	0.6
79.05495	1.6
79.12904	0.4
81.05798	0.7
81.07045	1.7
85.02885	1.8
96.08133	9.0
97.02863	0.7
98.97530	0.7
104.44510	0.4
106.06491	0.7
107.04956	4.8
109.06493	0.6
112.07580	3.0
118.19039	0.4
121.02859	4.0
124.07584	100.0
126.09119	0.6
133.04974	0.7
133.10077	0.5
152.07076	0.5
154.08659	3.5
172.09618	3.1
174.05580	0.4
183.76886	0.4
232.13492	0.4
243.34599	0.5
247.95987	0.4
248.10420	0.4
259.14355	3.5
260.12875	0.6
267.10196	1.8
270.48291	0.4
277.15393	7.4
295.09714	0.8
295.13196	0.7
295.16577	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	295.1692
Annotation	Radulanin B
Peak:m/z	Relative Intensity
52.85072	1.1
54.75030	1.1
55.05513	1.3
57.80723	1.3
57.92389	1.3
63.38365	1.2
63.97650	1.1
63.99781	1.1
67.05504	1.4
69.07050	1.5
79.05483	2.5
81.02927	1.3
81.03405	3.3
81.07046	1.4
91.05472	3.3
92.18496	4.5
93.07039	2.2
95.05003	2.9
105.07009	2.8
105.38612	1.5
107.12754	1.3
109.06522	5.5
110.72832	1.4
119.08566	8.2
129.06990	3.0
130.07770	1.4
133.10133	18.1
135.08046	1.6
143.08572	2.6
145.10161	1.8
147.08011	8.6
150.07797	1.5
157.10123	3.3
159.08028	1.7
171.08064	1.7
171.11658	6.7
173.09627	1.8
175.07513	6.1
179.08519	1.8
181.10072	2.4
183.11716	2.4
193.10152	2.9
197.13185	1.9
199.11142	2.8
207.11633	3.4
209.09599	2.2
209.13275	3.2
211.11293	2.5
213.12743	2.4
219.11682	2.3
221.13222	1.9
224.11989	1.5
225.09117	1.6
225.12808	2.4
234.14027	2.4
235.11282	2.1
237.12727	1.5
239.10600	2.0
244.12430	1.5
249.16362	3.0
251.14218	2.1
252.15228	1.4
253.15860	1.4
262.13522	1.6
267.17419	6.9
277.15848	9.2
295.13547	3.4
295.16913	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	295.1691
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
55.01852	1.0
55.05503	1.2
57.03431	1.7
61.02891	0.8
62.44046	0.7
64.58982	0.7
64.79649	0.7
66.38790	0.7
67.05492	1.8
69.03404	4.4
69.07050	2.6
73.02898	3.5
74.14827	0.7
79.05470	3.1
81.03403	5.0
81.07027	4.3
85.02908	7.4
86.97330	0.8
87.04907	0.9
91.05458	4.4
93.07032	5.6
95.04942	1.7
95.08578	3.0
97.02890	3.0
105.07024	16.0
107.04915	1.0
107.08575	6.3
109.06508	3.1
109.10076	0.8
112.71236	0.8
115.03847	1.1
117.07037	1.8
119.08565	7.3
121.06478	3.0
121.10118	2.8
123.08051	1.7
123.10940	0.7
123.96719	0.7
127.03878	2.9
127.64524	0.7
127.93314	0.7
129.06985	2.8
131.08542	6.3
133.04938	3.3
133.06454	1.4
133.10115	6.2
135.08054	11.3
137.09595	0.8
143.08585	6.0
145.06456	4.1
145.10066	4.2
147.08025	4.8
149.09550	1.5
155.08553	4.1
156.09334	1.2
157.10086	6.7
159.08057	8.3
159.11649	1.3
161.09575	7.1
167.08530	1.5
168.09315	1.1
169.10118	10.2
171.07976	3.0
171.11650	3.0
173.09583	5.1
179.08525	3.7
181.10104	6.5
181.11461	0.8
182.10814	1.3
183.08051	0.9
183.11604	7.4
184.08900	1.0
185.09604	4.8
185.13264	1.1
187.11147	1.7
192.09358	1.4
193.10139	6.6
194.10933	3.1
195.11707	5.4
196.08755	0.8
197.09590	4.8
197.13275	3.7
199.11142	9.4
199.14708	0.9
205.10233	0.9
206.10849	3.7
207.11699	10.4
208.12350	1.1
209.09589	3.7
209.13193	6.2
210.10391	1.0
211.11159	10.1
211.14795	1.3
213.12692	3.5
219.11659	3.0
220.12416	4.4
221.09540	0.9
221.13188	7.1
222.13960	1.4
223.11105	5.3
223.14767	4.0
224.11984	3.0
225.12709	7.1
225.16359	1.6
234.14009	4.0
235.11162	5.1
235.14810	4.0
237.12759	6.1
238.13458	1.6
239.10660	1.7
239.14380	1.8
239.17723	2.4
244.12552	1.1
247.11153	1.0
249.16360	8.4
251.14201	5.8
252.15111	1.1
253.12108	6.8
253.15851	6.4
259.14868	1.3
262.13440	4.2
267.14584	1.2
267.17380	11.6
277.15845	12.7
280.14474	1.0
295.16891	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	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.69414	1.9
69.07041	4.2
81.07037	2.4
105.07040	15.5
107.08573	4.9
117.07007	2.8
119.08558	3.5
121.06455	2.6
123.08115	2.1
131.08559	3.8
133.10104	3.5
133.72275	1.8
135.08047	10.3
145.10117	2.3
147.08002	3.3
149.09610	3.9
155.48396	1.9
157.10056	3.2
159.08014	7.5
168.76688	1.9
169.10075	9.8
171.08061	2.5
171.11792	2.8
173.09608	3.3
179.08472	3.0
183.11720	3.9
193.10033	4.3
195.11716	4.9
197.13266	3.5
199.11177	3.8
207.11716	9.0
209.09555	2.4
209.13260	3.6
211.11185	11.6
212.09485	2.7
220.12476	3.0
221.13339	2.8
221.91316	2.3
223.11195	3.8
223.14529	2.3
224.11693	2.6
225.12695	12.0
225.16141	2.3
234.14015	2.5
235.14850	4.0
237.12633	3.4
239.10542	2.5
239.14278	2.4
239.18100	2.6
247.11182	2.3
249.16408	8.1
253.12238	9.5
253.15926	8.2
262.13412	3.0
267.17380	12.8
277.15857	12.3
295.06067	2.3
295.16919	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	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.30400	1.5
55.01869	3.2
55.19019	1.8
61.75179	1.9
63.41349	1.7
72.54552	1.6
79.05485	3.9
81.03401	12.5
81.07106	2.0
91.05437	7.4
93.07050	3.3
95.04955	4.4
95.08672	1.8
105.07057	17.2
105.07628	2.0
108.01051	2.1
109.02864	1.9
109.06498	9.6
117.07008	7.0
119.08585	17.0
121.10117	8.2
129.06969	13.0
131.08559	2.8
133.06441	2.3
133.10120	51.4
135.07976	2.2
143.08592	8.3
145.10135	3.1
147.08047	27.4
149.09450	1.9
155.08559	3.1
156.09270	3.1
157.10081	9.6
159.11662	2.6
161.05949	3.8
161.09573	3.2
167.08601	2.0
169.10112	3.2
171.11662	8.9
173.09624	3.2
175.07507	10.0
181.10077	3.6
181.33313	2.1
183.11720	2.8
185.13223	2.4
187.11203	3.7
192.21184	1.8
193.10127	4.1
194.10838	2.4
195.11601	3.0
197.09647	3.1
199.11269	3.5
201.12596	2.9
207.11714	3.2
211.11111	3.7
213.12799	3.5
219.11653	3.0
220.12439	3.2
221.13206	2.5
223.11304	2.3
225.12695	2.7
234.13950	3.3
235.11105	1.8
235.14825	3.0
237.12762	4.2
239.10739	2.3
247.11162	2.5
248.19829	2.1
249.16373	7.1
251.14264	3.3
262.13513	8.7
267.17441	11.9
277.15836	17.6
295.16913	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	295.169
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
55.05497	2.4
57.03426	2.4
67.05464	9.7
69.07034	3.2
79.05444	9.4
81.07014	11.2
83.04963	2.1
91.05483	16.7
93.07050	16.5
95.08561	7.7
97.06490	7.1
101.65288	1.7
104.92866	1.8
105.07024	20.6
107.08553	2.9
109.06490	1.9
109.10133	2.3
112.80097	1.6
112.99516	1.7
117.06980	3.7
119.08564	18.7
121.06474	3.3
121.10073	6.8
123.08004	3.6
129.06981	2.4
131.08492	8.2
133.06454	3.3
133.10066	6.8
135.08029	3.8
136.49455	1.7
137.09573	2.8
138.83513	1.7
142.07738	1.6
143.08487	8.6
145.06303	1.8
145.10056	4.0
147.07962	4.0
155.08469	3.7
157.10065	4.2
159.07971	2.3
159.11597	8.6
161.09537	2.5
169.10037	4.2
171.07970	2.4
171.11598	3.5
173.09595	3.1
173.13136	1.7
181.09995	2.3
183.11598	8.5
185.13193	2.4
192.09215	2.6
193.10042	6.8
195.11505	2.0
197.09552	2.5
197.13141	7.2
199.11125	3.2
203.14311	3.1
206.10826	2.4
207.11594	8.7
208.12291	1.8
209.09526	2.8
209.13129	2.7
211.11078	10.0
220.12309	3.3
221.13174	3.4
223.11118	3.7
225.12775	14.0
225.16382	2.5
234.13878	2.5
235.11099	2.3
235.14787	2.5
237.12549	6.6
239.10374	2.9
239.17834	2.8
249.16214	7.8
251.14063	2.1
252.11386	3.5
252.14969	2.3
253.12062	7.9
253.15733	3.1
262.13434	1.9
267.17480	12.9
277.15863	16.5
295.16736	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	295.1693
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
53.03939	2.3
55.01869	6.7
67.05476	2.0
67.88824	1.6
69.03422	3.0
69.60049	1.5
76.10268	1.5
76.38602	1.7
79.05496	2.9
81.03430	18.0
81.07040	2.8
83.04947	2.7
91.05468	9.9
93.07014	2.7
95.01305	3.2
95.04948	7.8
95.08617	1.7
97.02873	1.7
105.07033	25.5
107.08596	2.2
109.02855	8.4
109.06536	14.7
117.06941	2.0
118.38316	1.9
119.08583	22.2
121.10088	8.3
123.04372	2.6
129.06973	11.3
130.05656	1.9
132.05711	2.0
133.06474	9.0
133.09181	2.8
133.10132	64.0
135.08017	3.3
143.08530	9.4
145.10124	7.4
147.08061	52.5
149.09633	1.8
155.08582	2.4
156.09340	2.9
157.06477	2.1
157.10112	7.7
159.11736	1.7
161.05957	8.1
167.08469	2.3
169.10091	2.4
170.10912	2.9
171.08008	2.0
171.11676	17.6
175.07521	16.7
179.08487	2.6
181.10001	2.5
183.11696	9.2
184.08850	2.3
185.09700	2.3
185.13202	4.1
187.11171	3.0
193.10123	4.1
195.11725	7.9
197.09607	4.0
199.11156	7.4
199.14786	2.2
201.09106	2.1
201.12698	4.2
207.11641	7.2
209.09680	2.5
209.13235	3.0
211.11159	6.9
213.12715	7.7
220.08809	2.2
220.12440	6.0
223.11073	4.0
225.12666	8.2
227.14226	2.2
234.14044	3.9
235.11145	3.8
235.14886	2.7
237.12686	2.5
239.14272	3.7
239.17888	2.2
244.12408	2.3
247.10986	1.9
249.12592	2.1
249.16370	8.5
251.14067	2.4
253.12276	2.4
253.15643	2.5
262.13522	4.2
267.17358	12.3
277.15924	17.1
286.97922	1.7
295.13461	8.6
295.16895	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	295.1694
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
54.66965	1.4
55.01866	3.3
55.05506	3.2
57.07056	1.4
67.05498	11.6
69.03416	3.2
69.07050	9.5
71.08626	20.7
79.05495	15.3
81.03419	12.1
81.07058	12.7
83.04963	4.2
83.08604	3.6
91.05489	19.5
93.07030	12.7
95.04939	10.4
95.08566	9.4
95.70090	2.0
97.06508	2.6
98.71184	1.9
99.08109	13.3
105.07028	27.0
107.04922	2.7
107.08559	9.8
109.02885	2.6
109.06478	7.6
109.10161	2.2
115.05431	2.1
117.06976	9.1
119.08580	25.8
121.06516	2.3
121.10108	11.2
128.06177	2.4
129.06973	9.9
131.08527	3.9
133.06448	8.7
133.10118	87.5
135.08038	2.9
135.11681	2.9
143.08536	6.8
145.06459	4.1
145.10088	7.6
147.08040	28.1
147.11641	3.3
149.09587	3.1
151.11140	10.9
157.10075	9.5
159.08012	3.5
159.11641	7.0
161.05922	8.4
161.09642	2.1
161.13251	4.2
163.11111	2.8
169.10083	3.3
170.10887	2.1
171.11624	11.4
173.09576	3.0
173.13174	2.1
175.07503	11.3
179.08623	2.4
179.14212	3.3
181.10040	7.0
183.11644	3.4
185.09608	2.8
185.13171	3.4
187.11134	3.8
193.10022	3.0
195.11676	3.0
199.11136	7.7
207.11697	6.7
208.12479	2.0
211.11139	3.6
213.12575	2.9
219.11571	7.3
221.13239	4.1
223.11118	3.3
223.14711	1.8
225.12666	3.9
227.14178	2.9
233.39798	1.6
234.14018	8.8
235.14873	2.2
237.12692	3.5
239.14198	2.1
244.12440	3.9
247.11157	2.2
247.14780	1.9
249.16356	7.5
252.15039	2.5
253.12057	1.8
259.20471	1.9
262.13510	6.7
267.17441	11.7
277.15826	14.3
277.21643	15.1
277.47870	1.7
295.13611	3.9
295.16827	100.0
295.22183	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	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
67.11139	1.1
69.03387	1.2
69.07045	1.1
80.58884	1.0
83.08595	1.4
93.07037	1.5
95.04961	1.7
97.06538	2.6
100.60509	1.3
105.07044	1.2
107.08601	1.8
108.96201	1.3
114.56178	1.1
123.08085	1.3
131.08582	2.5
140.42229	1.4
141.06982	1.7
142.51508	1.3
143.08572	2.8
144.40976	1.3
145.10078	1.3
155.08554	2.0
159.08073	2.1
169.10112	5.9
171.08083	1.6
171.11635	1.6
173.09624	2.3
179.08575	1.2
181.10141	2.3
182.37433	1.2
183.08147	1.7
183.11646	4.2
185.09564	1.4
192.09364	1.7
193.10178	2.4
195.11681	5.1
197.09622	12.9
197.13268	3.0
199.11157	1.8
206.11058	1.5
207.11659	5.2
209.09628	1.4
209.13307	1.7
211.11177	4.6
211.14903	1.7
219.11713	1.7
221.09726	1.4
221.13162	1.9
223.11115	4.8
223.14813	1.6
224.11940	1.8
225.12762	5.9
225.16251	1.8
234.14018	4.8
235.11273	2.0
235.14793	5.5
237.12700	2.9
239.14215	1.5
239.18025	1.4
247.11082	1.2
249.16399	6.2
251.14261	4.6
252.11398	1.5
252.15169	1.3
253.12268	2.2
253.15866	7.3
262.13474	2.7
263.04642	1.3
267.17426	7.2
277.15839	8.9
280.14703	2.0
295.16928	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	295.1692
Annotation	MF-EA 705alpha
Peak:m/z	Relative Intensity
55.05498	2.1
57.03426	2.8
67.05482	6.9
69.07043	9.1
73.07610	1.5
73.63552	1.5
77.89930	1.3
79.05466	7.4
81.07058	13.7
83.04943	2.3
83.08588	1.3
91.05438	8.8
92.18457	3.2
93.07004	9.2
95.08554	6.1
97.06531	2.2
105.07008	17.3
107.08562	7.9
107.72475	1.5
109.10117	2.7
114.41723	1.5
117.07011	3.1
119.04926	1.3
119.08554	22.4
121.06455	1.9
121.10120	7.5
129.06937	2.5
131.08539	10.3
133.10080	5.8
135.08047	1.7
137.09593	2.0
143.08525	9.5
145.10098	9.7
147.08003	1.4
155.08508	6.0
156.09291	1.8
157.10071	7.7
159.08043	1.8
159.11613	5.7
163.07417	1.7
167.08531	2.4
169.10054	5.4
171.07944	1.7
171.11623	5.2
173.13113	1.7
175.07469	1.5
175.11217	2.0
175.14738	3.2
179.08545	3.1
181.10080	6.3
183.11665	6.8
185.09496	2.5
185.13251	9.8
192.09398	1.6
193.10011	6.3
195.11641	8.4
196.12418	2.7
197.09506	3.1
197.13203	2.2
203.14265	6.0
205.10217	1.7
206.10843	2.2
207.11722	21.7
209.09650	2.3
209.13210	8.2
211.11115	3.2
211.14682	2.6
220.12344	2.2
221.13220	6.9
223.11111	8.1
223.14862	1.6
224.11928	3.1
225.09097	1.8
225.12648	2.8
227.10796	4.1
234.13904	3.1
235.11095	6.7
235.14783	8.6
236.11703	1.5
237.12715	2.3
239.10687	3.1
249.12611	1.8
249.16376	15.6
252.15039	2.3
253.12083	7.0
262.13483	2.3
267.17383	7.7
277.15738	7.9
277.21182	1.5
295.13586	4.5
295.16818	100.0
295.19962	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	295.1693
Annotation	2-Demethylmenaquinone
Peak:m/z	Relative Intensity
55.05511	1.7
61.49676	1.0
65.45612	0.8
67.05489	1.1
69.07080	1.7
74.07227	0.9
79.05482	1.6
81.07053	1.7
83.04967	1.5
83.08607	1.6
91.05460	4.4
93.07041	2.3
95.04918	1.5
95.08594	2.5
97.06507	5.8
105.07014	7.3
107.08595	2.0
109.02836	1.1
109.06510	2.3
119.08572	5.0
121.06490	1.6
121.10142	1.8
125.05964	7.8
129.06975	1.3
131.08562	2.0
133.06465	1.9
133.10124	5.3
135.08012	1.7
137.09601	1.2
143.08562	2.2
145.10107	4.6
147.08040	1.9
155.08496	4.0
157.10109	4.2
159.08116	3.5
159.11681	2.4
161.05878	1.2
161.09549	1.7
165.06987	1.6
167.08499	3.7
169.10147	4.0
171.08040	5.5
171.11676	4.3
173.09598	4.7
175.07480	1.6
179.08586	3.8
181.10110	7.7
183.08040	2.4
183.11649	4.1
185.09608	1.8
187.07494	1.2
187.11159	1.7
189.09058	1.4
192.09332	1.9
193.10118	6.8
194.10757	1.5
195.11703	6.2
196.12447	3.9
197.09639	4.7
197.13237	6.5
199.11177	5.8
201.12782	1.3
205.10107	1.7
206.10905	4.2
207.11697	11.2
208.12425	2.1
209.09627	6.4
209.13301	2.3
210.10368	2.0
211.11169	7.6
211.14856	1.3
217.10228	1.4
219.11652	3.7
220.12491	2.2
221.13217	4.7
222.10370	1.6
223.11128	4.9
224.11998	1.4
225.09108	1.8
225.12701	6.4
225.16319	1.4
234.10381	2.4
234.14009	1.7
235.11160	8.6
235.14912	3.8
237.12685	5.1
238.13577	1.4
239.10721	2.4
239.14249	2.3
239.18022	1.6
247.11185	4.5
249.12732	5.1
249.16328	7.3
251.10675	1.4
252.11417	1.3
253.12221	5.8
253.15875	1.7
259.14944	1.9
262.13461	6.9
267.13788	5.2
267.17352	7.9
277.12485	1.8
277.15842	9.3
277.21585	1.1
280.14655	2.1
295.13303	47.9
295.16928	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	295.1903
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.97025	1.1
54.44516	1.2
55.01862	1.0
55.05511	1.8
58.10255	1.0
61.72625	0.9
67.05509	5.1
67.26724	0.9
69.07065	5.8
79.05486	2.6
81.07064	12.6
83.04980	1.2
83.08636	1.4
89.70779	1.1
91.05447	1.7
93.07030	2.6
95.08613	4.6
105.07027	2.5
107.08578	2.2
109.06512	8.3
109.10174	1.3
111.04457	8.9
117.07005	1.2
118.01118	1.1
119.08595	4.1
121.10136	1.9
125.06010	1.6
131.08487	1.2
133.10144	6.0
135.08025	1.8
135.11691	2.0
137.05975	100.0
145.10062	1.5
147.11667	2.2
149.09634	5.7
151.07634	2.3
157.10130	1.9
161.09630	1.9
161.13193	1.3
169.10216	1.5
171.11574	2.0
175.11234	1.3
178.03572	1.0
181.10190	2.1
197.09639	2.2
203.18018	2.3
207.11696	1.8
209.13435	1.2
213.16460	1.2
217.18784	1.2
224.74329	1.4
231.17429	5.5
235.11266	1.9
249.18555	5.0
267.17426	2.5
277.18066	43.7
277.21136	2.4
295.13721	2.1
295.16779	28.1
295.22162	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	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.5
57.03436	36.2
67.05224	4.2
67.05508	65.5
69.07063	10.5
79.05489	39.9
81.03403	8.8
81.07058	52.2
83.04986	17.2
85.06541	17.5
88.23866	4.9
91.05473	91.3
93.07034	100.0
95.04962	8.3
95.08596	50.0
97.06497	47.8
105.07025	70.3
107.04993	4.7
107.08572	44.5
109.06522	9.4
109.10160	10.4
117.07024	28.8
119.08565	100.0
121.06499	7.8
121.10120	21.3
123.08053	10.2
129.06975	11.3
131.08554	36.7
133.06546	5.2
133.10133	76.5
135.08049	7.9
137.09558	23.5
143.08551	36.0
147.08070	7.3
147.11636	9.2
157.10103	18.2
158.96767	5.8
159.10497	6.3
159.11603	40.0
161.09587	5.3
161.13263	7.4
167.08574	4.9
175.14804	19.0
185.13208	63.0
192.09312	5.6
193.10046	7.3
195.11632	8.2
197.09564	6.9
197.13289	7.1
199.11243	7.7
203.14320	11.8
207.11711	20.5
209.13242	8.2
211.14859	5.8
223.11107	8.6
223.44444	4.7
225.12643	5.5
225.21135	5.4
234.14096	6.3
235.11043	5.6
239.10570	9.2
249.16330	19.5
251.14282	5.2
253.12202	9.9
267.17374	10.6
277.15826	19.7
287.34665	5.7
295.16861	98.5
295.19232	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.42139	1.8
52.20557	2.6
55.01872	9.7
55.05511	13.3
57.03443	3.3
62.44286	2.2
67.05508	35.9
68.43645	2.0
69.06694	3.4
69.07069	82.8
69.07431	5.7
71.04996	3.5
79.05470	25.3
81.03418	3.3
81.07057	78.5
83.04967	6.0
83.08595	19.2
85.06548	8.8
91.05460	19.3
93.07035	38.0
95.04942	5.1
95.08601	39.8
97.06512	14.0
97.10153	4.9
99.08086	10.8
105.07024	24.3
107.08588	34.1
109.06514	5.4
109.10137	17.0
111.08019	3.7
115.07569	3.2
117.07014	4.9
119.08569	26.0
121.06532	4.3
121.10113	29.2
123.08083	5.9
123.11700	9.3
125.09599	24.7
129.07054	3.8
131.08549	10.5
133.10130	29.5
135.08023	4.3
135.11670	34.6
143.08562	5.4
145.10130	10.3
147.08029	3.5
147.11720	27.2
149.13260	14.3
155.08470	3.2
159.11656	5.6
161.09595	2.9
161.13217	4.9
163.14822	5.7
169.10178	3.7
171.11664	12.6
179.08516	4.1
179.14349	3.1
181.10037	3.3
181.12216	3.1
183.11668	17.3
185.13290	5.4
189.12782	3.4
193.10185	4.4
199.11140	3.0
207.11723	11.9
209.13268	4.9
211.11125	8.9
220.12454	4.0
221.13173	3.3
225.09140	3.5
225.12784	3.3
234.14104	4.8
235.11166	5.1
235.14848	2.6
237.12656	3.6
239.10605	2.6
247.11189	3.2
249.16423	11.7
249.22081	2.7
253.12224	2.8
253.15843	4.0
259.20584	16.2
262.13657	2.8
267.17319	6.0
277.15887	14.4
277.21606	63.7
295.16977	100.0
295.22546	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03956	2.5
55.01870	2.3
55.05513	13.1
57.07059	2.3
60.45077	1.6
64.76447	1.9
67.05511	27.1
69.07070	34.8
71.04999	1.8
79.05489	28.6
81.03423	38.4
81.07059	30.9
83.04988	13.5
83.08621	9.1
85.06538	1.8
91.05458	14.2
93.07033	33.2
95.04945	33.5
95.08598	11.9
97.10153	8.8
105.07027	17.3
107.08600	25.1
109.06514	8.4
109.10152	10.4
111.08094	1.8
117.06943	2.4
118.24277	1.6
119.08600	9.0
121.10120	7.5
121.15074	1.6
123.07998	2.3
123.11699	3.3
125.09614	7.5
131.08549	3.0
133.10085	15.2
135.08086	2.7
135.11662	8.0
145.10027	1.7
147.11667	9.0
149.13269	8.2
151.11180	26.6
157.10133	3.0
161.13228	15.7
163.14815	2.7
165.12750	3.6
171.11670	3.4
175.14815	4.1
185.13271	2.9
186.15205	1.7
221.13271	2.5
231.21016	2.8
239.14487	2.5
241.19525	7.5
242.34027	1.8
249.16563	2.8
259.20648	3.7
262.13531	2.1
267.13770	6.5
277.16071	12.3
277.21585	100.0
282.21573	1.7
295.13293	10.8
295.16849	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.05508	6.6
67.05508	51.1
69.07053	22.4
70.11443	5.3
71.08622	62.2
79.05477	47.4
81.07043	59.6
83.04990	9.5
83.08608	6.4
87.61600	5.4
88.00640	5.1
91.05455	25.5
93.07039	82.5
95.04982	6.9
95.08611	34.9
97.06598	7.0
99.08102	45.7
105.07056	22.6
107.08590	50.6
109.10136	12.9
118.67201	6.1
119.08588	10.8
121.10129	46.2
124.31836	6.2
133.10156	13.5
135.11697	51.4
149.13289	9.4
151.11148	24.4
151.12314	5.8
161.13210	12.5
176.45065	6.0
179.14331	100.0
185.09505	6.3
197.09601	6.9
209.09642	7.6
224.12151	7.5
225.09122	11.7
252.11481	7.5
253.12195	7.5
265.08466	7.7
267.10379	5.9
267.13818	31.8
277.21603	79.5
295.09662	24.5
295.13303	81.0
295.16980	35.0
295.20441	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.75357	1.6
53.03954	4.0
53.70552	1.4
55.05516	9.8
56.63279	1.7
57.07084	3.8
67.05505	33.5
68.30644	2.0
68.78773	1.6
69.03399	1.8
69.07069	32.8
71.04999	1.7
71.08623	2.6
71.73042	1.7
79.05505	25.8
81.03423	40.7
81.07053	32.3
83.04979	10.7
83.08621	7.3
85.06532	1.7
91.05473	10.4
92.76704	2.0
93.07050	26.8
95.04975	41.6
95.08615	19.8
97.06502	2.1
97.10184	2.9
101.31118	2.0
102.39069	1.7
105.07053	17.6
107.08595	18.6
109.06495	4.3
109.10133	21.3
111.08060	2.2
117.07023	3.2
119.08566	7.6
121.10136	7.4
123.08076	1.9
123.11684	6.8
125.09651	8.3
129.07013	2.1
131.08549	3.7
133.10133	14.2
135.08038	2.8
135.11719	3.9
147.11720	14.2
149.13322	3.3
151.11180	37.0
153.09084	2.1
161.13269	10.3
161.77335	1.7
163.14879	2.3
165.12723	11.5
171.11649	2.9
175.14818	2.7
179.14270	1.7
192.61238	1.9
207.13826	1.8
231.21104	4.1
241.19539	3.2
249.22121	2.6
252.11469	2.1
259.20667	3.9
267.13934	2.3
277.21597	100.0
280.10971	8.9
291.98151	2.0
295.13303	29.4
295.16895	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01878	20.9
55.05523	28.7
57.03442	6.4
57.07082	5.9
67.05508	49.7
67.37518	2.6
69.03436	5.5
69.07065	22.0
71.04996	4.1
71.08621	13.2
79.05498	39.9
81.03410	4.8
81.07064	64.8
83.04977	15.9
83.08617	23.1
85.06545	4.0
91.05473	29.7
93.07041	55.9
95.04948	13.4
95.08603	45.8
97.06519	14.9
97.10155	12.0
99.08095	12.7
105.07048	30.8
107.08601	27.3
109.06512	14.5
109.10168	19.5
111.08086	32.6
117.07051	4.3
119.08588	34.0
121.06463	3.0
121.10164	23.7
123.08076	5.2
123.11676	5.0
124.52213	2.8
125.09625	3.3
129.07005	10.9
129.66212	2.6
131.08537	14.0
133.06514	28.1
133.10153	33.3
135.08070	4.0
135.11650	23.9
139.11157	5.7
143.08537	5.7
145.10109	4.0
147.08075	12.6
147.11673	13.2
148.99776	2.9
149.09613	4.1
149.13249	10.7
151.11221	5.5
156.09444	2.9
157.10150	12.6
159.11714	19.1
161.09663	4.0
161.13255	6.2
165.12717	5.4
169.10159	3.8
171.11768	6.0
175.11101	4.2
175.14830	4.7
179.14339	3.1
181.10121	3.0
183.11723	4.2
185.13257	13.5
189.11176	3.5
192.09360	4.9
193.10094	4.3
195.11674	3.8
195.13902	2.9
197.09592	5.4
203.14305	3.4
207.11629	11.9
209.09619	2.7
211.11272	4.8
220.08978	2.8
220.12503	3.9
221.13152	8.2
223.11205	3.0
225.09207	5.0
227.25423	2.8
235.11063	5.1
235.14886	3.8
237.12633	3.3
249.16400	14.8
249.21982	3.5
253.12241	4.7
259.20621	5.4
267.13809	10.6
267.17413	9.5
277.15909	15.3
277.21564	50.5
280.11008	3.9
280.14529	2.7
295.13342	27.2
295.16919	100.0
295.22485	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03954	1.7
55.01863	3.1
55.05516	27.1
57.03435	2.3
57.07073	3.3
63.09426	1.6
66.69836	1.6
67.05172	3.3
67.05506	63.9
69.03409	4.2
69.07066	27.1
71.04990	2.8
71.08627	36.4
79.05490	33.1
81.03420	19.0
81.07061	49.0
83.04969	11.3
83.08626	28.3
84.10164	2.0
85.06557	3.4
91.05470	22.0
93.07048	41.2
95.04978	19.8
95.08600	29.9
97.06543	7.8
97.10169	40.5
99.08086	26.3
100.09554	1.9
105.07034	26.7
107.04905	4.1
107.08591	36.1
109.02874	2.3
109.06503	8.9
109.10153	28.3
111.08076	3.9
117.07018	9.4
119.08583	21.7
121.06506	3.4
121.10114	16.2
123.08061	4.0
123.11716	3.6
125.09624	28.0
129.07007	9.5
131.08572	7.7
133.06525	4.6
133.10114	37.2
135.08046	7.4
135.11674	23.3
137.09650	3.0
137.13174	1.8
143.08569	7.1
145.10126	10.4
147.08017	13.5
147.11664	16.3
149.09595	2.2
149.13255	11.8
151.11183	35.6
153.12784	2.9
155.08574	2.7
156.09366	2.7
157.10115	7.9
159.11671	7.7
161.13245	14.0
163.11198	14.0
163.14819	2.9
165.12743	3.8
169.10107	4.5
171.11652	11.9
173.09685	2.6
173.11876	1.9
173.13319	7.0
175.07571	2.6
175.14828	3.3
179.08571	3.0
179.14294	11.2
181.10104	3.9
183.11688	7.5
185.13313	4.5
189.11166	17.7
192.09253	3.4
193.10196	4.1
195.11708	2.3
196.08849	2.1
197.09511	3.5
197.13203	2.7
199.11177	3.4
207.11711	4.5
209.09741	2.6
209.13362	2.9
211.11147	3.3
221.15350	2.6
223.14761	2.0
235.14711	3.3
237.12805	3.9
241.19478	4.0
244.12439	1.9
249.16319	3.9
251.14458	2.7
259.20596	10.7
262.13623	2.8
267.17493	4.1
277.15964	10.1
277.21613	100.0
281.79996	2.0
295.13614	4.1
295.16849	81.0
295.22650	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	296.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	1.7
71.07373	1.5
77.49517	1.3
80.58382	1.2
86.09705	25.3
98.97601	2.2
104.10744	100.0
179.02287	1.4
227.51643	1.5
236.99234	28.1
296.06577	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66459	2.3
54.02615	2.5
69.07067	87.6
71.08636	2.5
72.08145	3.5
72.92893	2.4
73.06547	3.0
74.40094	2.2
88.88658	2.1
91.05479	100.0
97.06533	9.7
103.05434	3.2
106.06521	3.6
108.37293	2.3
114.09164	38.1
115.07533	8.6
118.06517	4.0
119.04939	20.8
124.50707	2.7
136.07561	5.8
165.05479	4.6
182.08124	46.7
278.13791	71.2
296.14981	15.3
296.17554	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	296.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51551	0.8
63.80893	0.8
64.39556	1.0
69.07066	68.1
71.08623	4.6
72.08139	5.7
73.06529	2.3
75.39986	0.7
91.05471	100.0
97.06524	8.5
100.98298	1.0
103.05479	0.9
106.06559	7.9
110.73100	1.0
111.22001	0.9
114.09159	32.3
115.07542	3.7
118.06549	3.8
119.04919	22.1
132.10109	1.2
136.07578	7.6
147.04391	4.0
165.05420	4.7
182.08107	42.2
232.13304	2.1
237.11230	3.9
269.13382	1.1
278.13837	35.5
296.14777	20.8
310.37766	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	296.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31778	0.9
69.07069	63.7
71.08616	2.6
72.08147	4.7
73.06548	5.7
82.93518	1.1
86.06078	2.0
91.05479	100.0
97.06525	8.6
102.68023	1.1
103.05444	1.4
105.92350	1.1
106.06562	7.1
107.04929	4.6
114.09167	34.7
115.07541	4.4
118.06532	2.3
118.26439	1.1
119.04917	17.5
128.07051	1.2
133.06465	1.9
136.06180	1.4
136.07552	7.8
144.51740	1.1
165.05428	4.8
182.08121	42.1
240.35960	1.1
252.19585	1.7
278.10843	1.8
278.13843	53.6
278.16763	2.2
296.14886	13.3
296.17618	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	297.1121
Annotation	Gymnoascolide B
Peak:m/z	Relative Intensity
55.01873	0.6
63.84043	0.3
75.08060	0.3
92.17892	0.3
93.07079	0.4
95.04982	0.5
105.07022	0.3
105.25941	0.3
105.67073	0.3
107.04950	100.0
121.02855	10.2
121.06450	0.4
131.04974	0.4
143.16435	0.3
145.06502	1.8
150.05617	0.3
161.05962	1.1
174.40573	0.3
175.07544	2.4
179.33849	0.4
230.84796	0.3
237.09097	0.5
243.97235	0.3
265.08676	1.2
267.10126	7.1
288.60165	0.3
297.11194	23.9
297.18243	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	297.1121
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
53.97943	2.9
55.01883	44.8
58.84062	3.0
70.84760	3.4
79.77847	3.3
79.97153	3.3
95.04958	19.1
96.08779	3.4
104.82892	3.8
107.04948	100.0
117.06977	4.0
119.04926	7.0
123.04436	39.5
131.04910	74.0
132.05690	15.7
133.06429	5.1
133.10181	4.3
135.04425	21.0
145.06474	17.2
147.04413	31.3
157.06543	6.4
173.05943	8.1
185.05991	8.4
195.11815	5.1
205.10089	6.0
215.08585	17.4
218.07248	7.1
221.09636	7.1
231.08003	16.1
232.90083	4.1
233.09659	26.9
235.07588	6.9
236.08377	4.2
237.12749	15.3
243.08035	7.1
249.09076	19.6
251.10710	5.5
261.09012	54.5
267.10159	69.4
279.10150	96.7
297.08154	5.0
297.11224	35.0
297.14621	14.6
297.18091	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1123
Annotation	CHEBI:70656
Peak:m/z	Relative Intensity
50.13598	0.5
53.66259	0.6
55.05504	1.1
57.03425	0.7
60.61637	0.6
63.13047	0.6
63.21563	0.6
71.56908	0.6
78.98720	0.7
80.59364	0.6
81.07031	0.8
85.02921	0.7
91.05448	0.7
105.07020	0.7
107.95255	0.7
145.10109	1.1
157.10150	0.8
162.39520	0.8
165.07010	3.1
166.07779	3.4
167.08711	0.7
171.11595	0.8
174.06743	1.1
178.07724	1.0
179.08510	4.7
181.10107	1.3
183.11592	0.8
190.07611	0.7
191.08537	1.4
194.07253	8.0
195.11632	1.1
205.06416	5.7
206.07233	4.8
207.08081	3.0
208.08878	1.0
209.09637	7.2
219.08089	3.5
221.05968	0.7
222.06754	25.1
222.09033	0.9
223.07527	1.2
233.06006	4.6
234.06653	1.6
235.07762	0.9
236.08304	4.0
237.09093	18.9
237.12822	0.8
238.09898	1.2
239.06998	3.2
247.07449	1.1
248.08366	1.3
250.06180	10.7
254.09352	3.5
264.07797	3.3
265.08572	74.4
266.09439	1.3
267.06631	1.5
267.09982	0.8
269.11816	1.2
269.18903	0.8
274.88715	0.8
279.10178	16.2
279.17355	1.5
282.08847	4.8
297.11227	100.0
297.14191	3.5
297.18289	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	297.1122
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
51.37465	0.3
58.57348	0.3
67.15271	0.3
72.14925	0.3
72.97517	0.3
78.34571	0.3
84.39172	0.3
93.07040	0.4
95.04949	0.4
105.06996	0.4
121.06480	0.3
131.04993	0.4
146.07300	2.7
167.08595	0.4
171.11684	0.4
185.13316	0.5
187.39156	0.4
195.11717	0.4
199.11102	0.4
209.13187	0.5
211.07477	1.7
221.13406	0.3
222.06738	0.7
226.09888	0.7
239.06960	2.1
251.07069	0.8
253.08545	1.3
254.09343	3.9
264.07834	0.7
265.08566	2.1
266.09360	0.4
267.06454	2.4
279.17459	0.4
281.08093	7.8
282.08853	26.6
296.10443	9.7
297.11209	100.0
310.24539	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	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42335	0.4
68.61448	0.4
71.57550	0.4
76.91911	0.6
81.07053	0.5
95.04911	0.6
95.43892	0.5
110.07161	3.1
116.35147	0.5
123.04433	3.0
130.19684	0.6
131.01082	0.5
135.04410	2.0
135.08049	0.8
148.03340	0.5
154.22324	0.6
164.04181	1.1
176.09789	0.6
189.13893	0.9
193.87730	0.6
196.36984	0.8
205.13382	5.2
215.11755	1.0
217.13441	1.1
233.12834	94.6
243.11296	1.0
251.13850	10.9
261.12320	12.4
279.13388	50.7
297.14450	100.0
313.77780	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	297.1483
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
71.06297	2.0
79.05490	1.9
81.07067	3.0
88.15824	2.2
95.04867	1.9
100.16504	2.2
109.06525	2.3
115.05666	1.9
117.20997	2.1
121.06469	2.8
124.42791	1.8
143.25211	2.1
155.08549	4.6
157.15222	1.9
159.08049	2.6
165.06985	9.9
166.07776	4.1
167.08549	12.1
168.09338	2.8
169.10075	7.1
171.08037	3.0
173.09634	2.2
179.08498	30.8
180.09315	7.8
181.10126	25.9
193.10107	8.4
194.10890	20.7
195.11678	4.8
196.08771	3.7
203.08534	2.6
204.09343	9.7
207.08029	10.5
209.09790	2.1
209.13245	68.0
211.11163	9.0
213.09062	2.2
219.11665	8.0
221.09598	2.1
222.10384	29.4
227.10637	1.9
227.14180	2.7
237.12701	100.0
255.13806	26.2
294.43832	2.3
297.14828	73.0
297.18124	3.2
303.94397	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	297.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54485	1.6
57.03439	2.2
65.72209	2.1
66.98913	1.9
67.05508	4.3
72.23071	2.1
79.05487	4.1
81.03421	22.5
81.07056	10.6
85.06531	2.8
91.05522	3.1
92.18465	3.2
93.07042	8.5
95.08579	8.9
105.07029	9.5
107.04943	3.1
107.08601	13.4
109.10160	3.4
117.07019	3.1
119.08583	66.5
121.06454	3.7
123.08042	4.1
125.11832	2.2
131.08493	7.9
133.06512	5.4
133.10173	2.8
135.08035	9.0
137.05971	3.8
141.07027	2.8
143.08571	9.9
145.06485	3.2
145.10109	9.9
147.08029	3.7
149.09612	9.1
154.07733	2.7
155.08530	15.4
156.09367	4.6
157.10095	3.8
159.08115	2.7
164.07863	4.0
165.07030	13.3
166.07739	9.0
167.08528	17.0
168.09364	8.6
169.10106	100.0
171.11667	2.5
173.09613	12.8
178.07779	9.2
179.08530	42.7
180.09364	12.0
181.10114	36.0
183.11659	13.6
187.11206	2.7
191.10693	2.6
192.09406	3.9
193.10121	96.4
194.10916	37.3
195.07982	3.5
195.11696	22.5
196.08864	2.7
197.13383	3.1
203.08496	3.3
204.09384	17.5
205.06528	2.7
207.11696	10.0
208.12448	4.4
209.09637	10.6
209.13242	28.3
210.10446	4.8
211.11136	31.3
219.11665	16.0
222.10483	4.6
227.10513	2.6
235.11264	4.0
237.09070	3.4
237.12706	36.9
237.16417	4.3
251.18076	8.1
253.12238	11.4
253.15831	2.8
254.13011	11.8
255.13794	42.5
255.16577	3.2
255.17462	3.7
258.09857	2.6
265.08542	11.2
279.13556	4.2
279.17154	2.9
297.11258	16.8
297.14859	70.1
297.18463	75.7
297.22064	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	297.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65711	1.7
79.05496	2.5
81.03417	22.7
95.04971	2.4
105.07012	2.9
107.04953	7.6
108.37165	1.7
109.06494	4.3
119.08594	4.3
121.42323	2.0
123.08045	2.4
129.07033	2.5
133.06494	2.5
141.07007	3.6
143.08586	10.6
145.06445	3.8
145.10179	2.7
153.07088	3.1
154.07831	6.7
155.08589	12.9
156.09352	2.6
157.10153	3.3
159.08069	2.5
159.11720	2.3
165.06956	10.2
166.07806	8.4
166.21825	1.7
167.08510	16.4
168.09329	3.3
169.08661	3.5
169.10117	100.0
178.07716	9.5
179.08531	45.3
180.09291	13.4
181.10106	37.7
182.10878	2.4
183.11697	15.5
185.13245	1.7
191.08650	2.3
192.09332	2.7
193.10127	93.5
194.10878	34.9
195.11673	17.5
196.08815	3.6
197.09476	2.0
199.11018	2.5
204.09251	13.0
207.11711	4.4
208.12448	3.1
209.09659	4.1
209.13223	27.7
210.10373	8.4
211.11177	30.8
215.54784	2.0
219.11722	12.5
222.10390	14.4
225.12709	2.4
227.14331	2.7
235.11134	3.2
237.12741	37.6
237.16217	2.4
251.14241	2.7
251.17987	3.0
253.12236	2.3
254.13045	8.1
255.13770	48.0
269.18979	2.1
279.17587	4.1
297.11572	3.2
297.14871	70.9
297.18433	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	297.1486
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
51.43367	1.0
52.32831	0.9
54.31982	1.0
55.05511	1.3
55.84082	1.0
57.03441	1.4
62.15429	0.9
67.05499	1.5
69.07047	1.8
79.05478	2.1
81.07045	5.4
83.08604	1.3
90.49510	1.2
93.07033	2.4
95.08606	8.0
105.07018	2.8
107.08609	2.4
109.10173	1.9
117.07019	1.7
119.08549	1.7
121.10134	1.6
129.06989	1.3
131.08540	6.8
157.06444	1.2
158.07236	1.5
165.06927	1.5
167.08507	6.1
169.10106	7.2
179.08569	10.5
179.67781	1.4
180.09338	2.3
181.10071	5.3
183.08057	1.4
185.09616	2.2
193.10118	5.3
194.10875	9.6
195.08067	2.5
195.11705	2.5
197.09537	2.4
204.09219	1.6
207.08034	1.8
208.08871	2.1
209.09657	2.8
209.13237	17.5
211.11198	7.3
213.09135	2.6
219.11728	2.8
221.09590	6.6
222.10387	17.8
225.09070	2.3
225.12810	1.4
226.13574	2.3
237.12747	45.8
239.10605	7.7
253.12187	4.7
254.12964	33.7
255.13763	19.4
267.13705	2.7
279.14020	2.0
279.17261	2.0
297.14859	100.0
297.18271	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	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
54.21984	0.8
69.86166	0.8
79.36042	0.9
91.18661	1.0
157.10127	4.5
173.05978	2.2
181.09946	1.4
185.09628	26.8
195.08069	4.3
198.06725	1.9
209.09579	2.4
212.08344	1.6
213.09103	52.1
223.07556	2.1
227.10718	2.5
237.09116	7.7
239.10727	1.6
254.09576	1.1
254.12897	1.7
255.10205	4.5
260.61368	1.2
269.15286	14.7
279.13840	2.4
297.14838	100.0
301.23856	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38836	1.8
55.01865	3.2
55.05510	4.9
57.03426	7.8
67.05489	8.6
69.03431	17.5
69.07055	9.2
69.57464	1.8
71.04990	5.1
73.02902	3.3
79.05470	14.1
81.03405	13.6
81.07048	24.2
83.04971	3.7
85.02898	22.3
85.06536	3.0
87.04440	2.5
91.05451	11.3
93.07033	31.7
95.04957	8.4
95.08609	18.6
97.02898	15.7
97.06510	4.5
99.04440	8.3
103.03922	3.5
105.07039	24.4
107.04941	4.2
107.08589	33.3
109.06513	8.7
109.10156	16.5
111.04443	2.8
111.08073	2.7
117.07008	5.2
119.08559	31.1
121.06506	9.0
121.10130	27.2
123.08032	5.0
123.11669	4.8
125.09666	2.0
127.03855	2.8
131.04913	2.0
131.08575	12.1
133.04945	2.3
133.06468	4.6
133.10117	25.6
135.04381	12.5
135.08034	9.5
135.11673	25.5
137.05937	3.4
137.09566	2.6
140.28122	2.0
143.08551	12.2
145.06561	4.0
145.10098	18.0
147.08051	8.1
147.11700	15.0
149.09569	3.3
149.13254	2.2
151.11160	3.0
153.12704	9.8
154.78813	2.0
155.08469	3.9
156.09317	2.5
157.10097	21.3
159.08008	4.5
159.11670	14.9
161.09602	8.5
163.11130	4.6
165.12787	3.3
167.08478	2.8
169.10089	4.8
171.07951	3.1
171.11656	12.9
173.09584	5.1
173.13129	2.3
175.11179	5.1
177.12741	5.1
179.08560	2.8
181.10133	9.1
183.11726	10.5
185.09575	11.7
185.13177	3.9
187.11116	3.4
189.12665	3.7
193.10220	3.7
194.10870	3.2
195.08093	3.3
195.11714	14.8
197.13268	3.2
199.11174	8.2
201.12727	3.4
207.11740	4.0
209.09613	3.1
209.13219	13.1
211.11290	3.2
211.14818	2.9
213.12692	4.4
219.11769	2.2
219.13867	2.6
221.13135	2.8
223.11046	2.6
223.14767	3.2
237.09123	3.4
237.12704	5.1
237.16425	3.3
239.14272	3.1
246.13759	2.3
247.07536	2.7
251.07004	11.2
251.17996	11.0
253.15907	3.9
255.17639	2.6
265.08569	5.0
269.11758	2.1
269.19003	13.7
279.17538	10.1
297.11163	21.3
297.18738	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
56.59679	1.0
56.76234	1.2
67.05465	1.2
69.07050	2.1
81.07042	5.0
83.08606	1.9
91.05462	4.6
91.79006	1.1
92.18581	2.3
93.07027	2.5
95.04956	1.3
95.08610	4.1
105.06999	8.9
107.08563	6.8
109.06535	2.2
109.10120	2.0
119.08568	10.6
121.06467	2.8
121.10100	5.3
123.07990	1.6
129.06961	1.6
131.08563	6.7
133.10117	5.6
135.07999	2.5
143.08572	7.6
145.10089	10.5
147.08005	2.1
149.09618	2.5
155.08511	3.0
157.10100	6.3
159.08002	5.4
159.11659	4.6
161.09641	8.3
167.08470	1.9
169.10103	5.5
171.08095	2.2
171.11635	8.9
173.09613	5.5
175.11154	2.1
176.59332	1.2
181.10071	2.6
183.11679	6.2
185.09570	5.3
185.13222	5.4
187.11198	6.1
189.09187	1.6
189.12788	1.6
193.10056	1.8
194.10806	1.4
195.11688	9.2
196.12508	1.3
199.11171	6.8
207.11578	1.8
209.13274	11.7
211.11121	1.8
213.12682	5.3
221.13322	2.1
222.13943	1.6
223.11177	1.7
225.12720	4.9
225.16269	1.7
227.14301	1.5
237.12640	2.0
237.16347	5.6
239.14267	2.8
241.12271	2.1
241.15900	1.5
251.17906	5.9
253.15881	2.2
254.13063	4.5
255.13835	2.6
261.16272	2.3
269.18970	7.7
279.17389	9.8
297.14984	7.9
297.18445	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	297.1849
Annotation	Exemestane
Peak:m/z	Relative Intensity
55.01870	0.9
55.05495	1.0
56.09670	0.8
60.85721	0.8
67.05508	2.7
69.07044	1.4
81.07048	3.5
91.05453	2.1
93.07014	5.1
95.08585	4.0
99.39555	0.9
105.07004	5.8
106.63377	1.0
107.08539	2.2
109.06506	1.9
111.08066	1.6
117.06966	1.7
119.08562	6.4
121.06454	0.9
123.08031	1.7
125.09637	1.4
131.08536	3.4
133.06465	5.0
133.07396	0.9
133.10130	1.9
135.08035	1.8
143.08606	3.0
145.06442	4.8
145.10133	2.0
147.08028	3.7
149.09604	2.1
155.08519	1.2
157.10081	4.3
159.08018	3.8
159.11662	3.8
161.09610	4.7
163.11115	5.6
165.07030	1.0
167.08459	1.8
169.10121	6.5
169.31770	0.8
171.11642	3.8
173.09607	4.8
174.10374	1.1
175.11113	4.5
179.08522	3.4
180.09196	1.4
181.10101	4.9
183.08018	1.1
183.11714	2.2
185.09592	1.8
185.13222	2.2
187.11186	7.2
189.12656	4.1
189.67671	1.1
191.85886	1.0
193.10077	4.9
194.10866	4.8
195.11687	6.9
197.09657	2.0
197.13202	1.8
199.11151	4.5
201.12729	4.1
207.11774	2.0
209.09558	1.2
209.13266	7.2
211.11119	5.1
213.12761	6.7
215.10564	1.2
219.11586	1.3
222.10445	1.7
223.11148	4.7
225.12643	1.2
235.14931	1.2
236.11603	0.9
237.12778	9.6
237.16327	3.6
239.14249	1.9
241.12238	1.9
241.15802	1.7
249.12758	1.0
251.17900	1.3
253.15797	5.3
254.13022	1.8
255.13702	6.0
255.17390	5.3
264.15179	1.4
269.15488	1.0
269.18918	5.2
279.17303	10.3
282.16229	1.2
297.14902	14.2
297.18436	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	297.1849
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
55.05505	2.5
55.65975	1.9
66.56330	1.5
67.05495	2.3
69.07036	1.9
78.20277	1.6
79.05495	3.5
81.07044	3.7
91.05476	6.8
93.07036	8.5
93.46290	1.7
95.04968	2.4
95.08591	3.2
105.07029	10.0
107.04918	2.2
107.08566	11.9
109.10152	2.5
117.06977	2.6
119.08577	52.5
121.06502	1.9
121.10149	13.2
129.06989	3.4
131.08574	4.3
133.10118	4.1
135.08051	4.2
142.07796	3.0
143.08528	12.3
145.10112	21.9
147.08054	2.7
152.90623	1.8
155.08548	4.1
156.09261	2.3
157.10103	14.8
159.08055	11.0
159.11729	6.5
165.07086	2.1
166.07788	2.2
167.08516	2.9
169.10175	12.6
171.08037	3.4
171.11671	2.4
173.09618	2.2
173.13264	2.6
175.07642	2.0
179.08592	8.1
180.09357	2.8
181.10127	10.0
183.11665	8.6
185.09474	1.8
187.11279	2.2
193.10156	10.6
194.10942	8.5
195.10109	2.8
195.11633	18.5
196.12483	2.0
197.09630	3.5
197.13353	7.3
199.11189	2.3
203.08789	1.7
207.11658	2.6
208.12585	2.6
209.09673	7.7
209.13272	18.0
211.11121	9.4
211.14815	2.1
217.10275	2.1
219.11732	3.5
221.13278	2.9
222.10460	3.4
222.14085	2.2
223.11140	3.9
223.14793	6.9
225.12845	1.9
225.16368	3.5
231.11711	6.6
233.13225	3.8
235.14818	6.7
236.12010	2.6
237.12717	19.4
237.16422	2.1
241.12187	12.3
246.14061	2.8
251.14236	3.8
251.17961	10.6
253.15791	3.0
255.13731	5.9
261.16367	8.8
279.14005	4.1
279.17429	25.4
297.14880	44.5
297.18494	100.0
305.14194	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	297.1849
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
57.07061	2.1
61.38356	1.9
66.31973	1.7
67.05486	1.8
78.74044	1.9
81.07027	4.0
83.04976	2.6
88.04231	2.0
91.05471	2.2
92.18520	3.6
93.07047	3.2
95.08531	3.3
105.07005	7.6
107.04935	2.2
107.08583	2.1
109.06497	7.5
111.08129	1.9
117.06963	2.6
119.08538	10.5
120.65673	1.9
121.10138	2.4
131.08586	2.4
133.05507	1.9
133.06453	2.7
133.10107	3.9
143.08553	4.2
145.10104	3.5
147.11684	2.9
155.08539	3.5
157.10120	12.6
159.08012	2.1
171.11691	8.8
173.09592	7.7
181.10124	7.5
183.11813	6.5
185.13271	3.8
195.11740	11.0
197.09599	2.9
197.13263	3.0
199.11188	7.9
207.11678	3.3
209.13275	9.4
211.11249	2.4
223.11259	4.5
223.14778	2.9
225.12714	2.7
237.09079	2.4
237.12790	4.3
237.16440	3.6
239.14362	3.8
241.19521	2.0
251.17889	8.2
253.15813	3.5
265.08493	2.3
269.18948	4.3
279.17432	15.8
297.07700	6.9
297.11261	8.1
297.14987	4.2
297.18488	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
56.24682	1.4
63.88378	1.5
67.05484	2.2
69.07060	1.7
81.07066	3.9
82.25407	1.5
85.06547	2.3
91.05476	6.3
92.18379	1.8
93.07026	6.2
95.04954	7.2
95.08596	3.3
105.07025	8.7
107.08593	6.2
109.06510	3.1
119.04911	1.5
119.08566	8.1
121.10120	2.7
123.08045	1.9
129.07014	2.9
131.08554	8.1
133.10114	8.0
135.07980	2.1
137.09645	1.9
143.08551	10.0
145.10123	7.5
147.08011	3.8
147.11711	2.6
149.09615	3.2
155.08578	7.0
157.10138	9.5
159.08121	2.5
159.11690	4.0
161.09666	2.0
167.08560	2.7
169.10112	13.1
171.11658	6.7
173.09581	2.3
175.11119	2.8
179.08531	2.3
180.09383	2.2
181.10126	3.9
183.11641	2.7
185.09598	2.6
193.10112	2.7
194.10954	2.9
195.11693	9.8
197.13283	6.3
199.11192	7.4
206.10927	2.7
207.11700	6.3
209.13284	9.6
211.11241	1.9
211.14781	9.0
213.12712	2.2
221.13213	6.4
222.14198	2.0
223.14967	2.3
225.16525	1.8
235.14467	1.8
236.15649	2.0
237.12698	1.9
237.16336	2.9
239.14346	7.5
251.17943	8.0
255.13701	1.9
261.16455	2.1
267.17239	2.0
269.18872	3.6
279.17386	12.0
297.15036	3.2
297.18478	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	297.1848
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
55.05494	1.3
56.27309	0.9
67.05493	1.8
69.03420	2.0
69.07034	2.3
71.08545	1.1
79.05492	2.4
81.07038	2.5
83.04960	1.4
83.08604	1.3
91.05463	1.4
93.07022	2.4
95.04963	1.3
95.08595	2.1
97.06511	2.3
105.06995	6.4
107.08555	7.1
108.55382	1.0
109.06471	1.6
109.10132	1.7
111.08006	1.0
117.06982	1.8
119.08527	7.0
121.06442	1.7
121.10110	2.2
123.08033	2.6
128.06163	1.2
129.06998	1.2
131.08553	4.3
133.06477	1.7
133.10112	9.1
135.07990	6.9
137.09576	2.3
141.07014	2.0
143.08513	6.3
145.06433	4.7
145.10051	4.6
147.08025	2.2
147.11620	1.4
149.09598	5.0
150.58226	1.1
151.87511	1.2
155.08504	5.2
157.10088	6.4
159.07993	4.6
159.11617	2.5
161.09549	6.1
165.06964	1.7
167.08488	5.2
168.09317	1.7
169.10080	6.6
171.07979	6.2
171.11656	9.4
173.06007	1.1
173.09567	5.5
175.11128	2.3
179.08511	6.7
180.09320	2.0
181.10106	14.7
183.11630	5.1
185.09570	4.3
185.13179	2.1
187.11098	4.2
191.08386	1.1
192.09271	1.1
193.10063	4.6
194.10901	6.8
195.11703	12.6
197.09598	4.8
197.13217	1.9
199.11198	12.2
201.12657	1.7
206.10796	1.5
207.07919	1.5
207.11632	1.7
208.12456	1.6
209.09682	3.9
209.13229	25.6
211.11197	5.4
211.14775	3.9
213.09096	1.1
213.12683	4.7
219.11591	4.1
221.13226	1.7
222.10387	5.1
223.11230	2.3
223.14722	2.4
224.11847	1.3
225.12589	3.9
227.10558	1.5
227.14241	6.3
237.12701	25.1
237.16347	6.6
239.14296	4.5
241.12323	1.6
246.14015	1.7
249.16440	1.5
251.17825	8.3
253.15854	1.7
255.13780	8.6
255.17287	3.8
261.16284	1.3
264.14999	1.7
267.17395	1.8
269.18906	10.7
279.17365	15.2
297.14853	13.8
297.18402	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	297.1848
Annotation	Exemestane
Peak:m/z	Relative Intensity
50.82487	1.1
50.87985	1.3
69.07051	1.9
81.07044	2.4
82.51842	1.1
90.45782	1.4
91.05449	5.2
93.07037	2.9
95.08598	2.3
105.07016	7.1
107.08573	5.8
109.06492	3.1
119.08584	11.5
121.06490	2.5
121.10085	2.6
123.08086	2.0
129.06975	2.2
131.08582	2.9
133.10124	3.3
135.08040	2.1
137.09608	2.3
143.08533	6.0
145.10106	5.1
147.08005	7.9
147.11649	1.6
149.09592	1.6
153.24345	1.4
155.08481	2.0
157.10133	5.3
159.08078	3.2
159.11688	5.7
161.09590	5.2
169.10085	2.5
171.08066	2.5
171.11737	2.6
173.09607	8.9
175.11140	2.6
179.08472	1.5
181.10132	2.0
183.11613	5.1
185.09605	5.7
185.13272	3.0
187.11224	5.2
189.12724	2.3
194.10811	1.8
195.11711	8.0
197.09584	2.4
197.13206	3.0
199.11180	3.1
201.12645	1.7
208.12354	1.6
209.13260	5.7
211.11140	2.7
211.14619	1.8
213.12724	8.0
220.66354	1.4
223.11200	1.6
223.14783	3.0
225.12688	5.3
225.16090	1.4
235.14882	1.7
237.12662	6.9
237.16341	5.6
251.17989	7.5
253.15961	2.0
255.13771	1.9
255.17378	6.1
261.16370	1.8
269.18958	5.4
279.17432	20.4
297.11478	2.0
297.15121	5.5
297.18466	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	297.1849
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.04575	1.0
55.05506	1.5
55.42931	1.0
56.11654	1.3
57.03422	1.2
57.07067	1.0
69.03412	1.8
69.07072	2.4
71.05000	1.2
72.50171	1.1
73.92731	1.1
74.44398	1.2
79.05500	1.7
81.03405	1.4
81.07050	2.0
83.08590	1.2
91.05476	1.8
93.07053	2.6
95.04956	1.7
95.08585	4.9
97.49007	1.1
105.07004	8.0
107.08594	6.2
109.06512	5.5
109.10137	2.1
119.08565	8.1
121.06439	2.4
121.10110	2.7
123.08015	2.1
129.06989	1.7
131.08534	5.7
133.10106	5.5
135.07997	1.8
138.06102	1.5
143.08528	5.5
145.10118	5.8
147.08055	2.8
149.09602	2.1
155.08534	5.7
157.10094	7.3
159.08041	5.2
159.11626	3.0
161.09596	2.7
165.06970	1.2
167.08563	2.8
169.10110	5.0
171.11681	4.8
173.09598	4.8
175.11075	2.0
179.08496	2.1
181.10098	6.9
183.11687	5.6
185.09587	4.8
185.13106	1.9
187.11221	2.0
193.10181	2.5
194.10909	2.6
195.11749	10.7
197.09492	1.6
197.13257	2.7
199.11163	5.1
207.11700	5.5
209.09641	1.7
209.13289	10.2
211.11224	4.9
211.14763	2.0
213.12715	1.9
221.13156	2.2
222.10431	1.4
223.11215	1.8
223.14766	2.9
225.12727	5.5
225.60353	1.4
233.13225	1.6
235.14760	2.6
236.12015	1.5
236.15656	1.6
237.12671	6.6
237.16399	2.0
239.14262	4.9
241.12263	2.1
246.14040	2.3
249.12567	1.6
251.14430	1.3
251.17870	7.1
253.15813	4.2
255.13850	1.8
261.16272	1.9
269.19012	1.7
279.17471	14.2
282.16299	1.8
297.15091	7.2
297.18460	100.0
312.33896	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	297.185
Annotation	Diethylstilbestrol dimethyl ether
Peak:m/z	Relative Intensity
50.77526	1.9
53.49440	1.9
55.05513	3.6
67.71240	2.2
69.07063	4.0
70.42719	2.2
71.08621	14.4
81.07094	6.5
88.37115	2.2
92.18523	4.0
93.07024	4.1
95.08601	9.1
95.75345	2.1
99.08083	4.1
105.07031	5.0
107.08587	3.0
109.06509	2.9
119.08566	19.0
121.10144	3.2
123.08052	3.7
123.37404	2.1
129.06981	2.8
131.08586	4.2
133.10124	4.5
135.08002	3.1
143.08568	3.4
145.10132	13.2
145.98302	2.2
147.08093	3.0
147.11711	4.0
149.09586	5.5
157.10170	4.9
159.11710	3.8
161.09599	4.2
169.10133	4.0
171.08180	2.4
171.11684	10.8
173.09639	2.8
173.13217	3.5
183.11743	3.9
185.09604	3.5
185.13297	3.5
187.11159	2.9
195.11726	10.8
197.13231	2.7
209.13264	13.1
213.09158	2.9
213.12703	4.2
223.11166	2.8
225.12704	3.4
237.12766	2.5
241.12216	2.7
250.89435	3.8
255.17476	4.4
269.18951	10.7
279.17465	5.2
279.23306	9.7
282.16116	2.9
297.06738	2.5
297.15134	5.6
297.18460	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	297.2425
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.56688	1.7
55.05507	14.0
57.03435	3.2
57.07058	2.8
65.09394	1.7
67.05510	64.4
68.30923	2.0
69.07072	29.4
69.93876	1.7
71.04987	15.7
72.16125	2.4
79.05486	19.6
81.07059	83.0
83.04991	2.0
83.08613	20.7
85.06540	11.3
89.33508	1.8
91.05470	8.3
93.07041	25.2
95.08025	3.9
95.08603	100.0
97.06529	8.5
97.10178	18.7
105.07033	9.1
107.08612	25.7
109.10150	58.2
110.04272	1.9
111.08090	2.5
111.11715	2.4
119.08606	7.7
121.10145	26.9
123.11722	21.2
125.09605	3.5
127.34161	2.3
127.43970	2.0
131.08539	4.9
133.10120	10.1
135.08049	2.9
135.11679	26.2
137.09549	2.0
137.13245	10.0
145.10110	4.7
147.11697	12.6
149.13246	8.8
151.11172	3.8
151.14810	4.0
159.11681	4.6
161.13281	10.1
165.12724	3.6
173.13263	5.1
177.16397	2.5
179.14288	2.7
187.14903	2.5
243.20972	5.2
261.22119	16.4
279.23169	97.1
297.14783	3.6
297.18484	3.2
297.24207	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.6
68.41756	1.5
74.30360	1.7
94.51090	1.7
98.97586	100.0
107.82485	1.6
109.70039	2.6
116.98623	53.9
119.01817	1.8
123.07953	2.7
124.08215	3.0
134.99617	14.1
136.06203	4.2
140.06812	1.8
152.05695	10.6
178.98822	8.8
190.95432	2.6
195.02032	2.4
203.03448	1.9
207.04378	23.8
211.01457	28.6
214.95326	2.7
232.96419	7.9
250.97331	2.8
254.09390	3.3
256.96362	20.4
257.03622	1.9
274.97498	98.2
275.09155	2.5
292.98529	40.8
294.42233	2.1
298.08130	19.8
298.11334	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	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.0
82.42188	0.6
98.97578	100.0
98.98671	5.0
107.74094	0.6
111.35626	0.6
111.77963	0.6
116.98613	26.2
130.50060	0.6
134.99638	3.0
140.06845	2.4
172.94307	3.4
190.95399	3.0
214.95361	5.8
215.00842	1.1
232.96410	6.5
233.01927	0.9
250.97467	0.8
256.96408	25.2
261.03156	1.2
274.97473	66.2
292.98526	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33622	0.7
56.96559	4.3
61.37775	0.9
69.63902	0.9
71.08009	0.9
78.21363	0.9
95.20092	1.0
98.97580	100.0
115.67852	1.0
116.98611	29.9
119.73573	1.0
127.17338	0.9
134.99683	4.1
143.13535	1.4
172.94325	4.8
190.95351	1.5
214.95378	6.4
230.98618	1.3
232.96365	6.9
250.97510	1.6
256.93719	1.0
256.96414	31.5
274.97473	76.1
292.98553	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.9
64.05914	0.6
72.08154	1.1
76.47720	0.7
79.16451	0.6
89.66663	0.6
98.97584	27.1
116.98628	16.6
134.99629	5.1
136.06175	13.0
139.33546	0.7
152.05647	7.1
155.08916	1.7
164.00075	1.1
166.07204	0.9
172.94257	0.8
178.98830	18.5
179.99605	1.4
181.00339	1.3
190.95490	1.1
195.02010	17.5
206.98296	3.4
207.04369	68.2
211.01474	100.0
214.95467	1.1
222.06827	0.8
224.04610	3.7
232.31250	0.9
232.96474	2.5
238.03821	2.7
238.06218	8.8
238.15471	1.4
239.00940	1.5
239.04205	0.7
239.06937	5.7
254.09358	9.3
256.86533	0.7
256.96512	5.0
274.97491	26.7
280.04620	1.0
280.10233	1.0
292.98535	10.4
297.99146	0.8
298.08289	45.5
298.11276	3.6
298.17789	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	298.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64332	0.2
51.29854	0.2
52.36976	0.2
55.05513	0.3
62.47659	0.2
63.26146	0.2
67.41637	0.2
80.05025	1.1
80.48000	0.3
96.04500	0.4
101.00835	0.2
101.06027	2.9
119.01894	0.5
119.07065	1.3
124.03952	100.0
136.06181	1.4
152.05675	0.4
295.37958	0.3
298.09210	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01174	0.3
62.13266	0.2
66.51795	0.1
69.03445	0.2
78.03423	0.2
80.05022	0.9
81.03412	0.2
82.41843	0.2
85.02919	0.4
94.10129	0.2
96.04504	0.8
98.97583	0.4
101.00887	0.4
119.01901	1.1
124.03947	100.0
136.06183	5.0
137.05968	0.7
166.07262	0.4
176.19629	0.2
203.03888	0.2
208.05032	0.2
211.04510	0.2
213.02592	0.2
239.11394	0.2
257.01376	0.6
257.05240	0.2
263.10104	0.2
275.02426	0.2
289.07736	0.4
298.09192	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	298.0966
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
58.49365	0.3
60.22272	0.2
61.01154	5.0
68.05933	0.2
74.80836	0.3
75.02699	2.1
81.05386	0.3
82.19547	0.3
86.37503	0.3
92.67039	0.3
97.02899	1.9
103.02210	0.6
136.06183	100.0
145.03194	1.6
163.04219	1.6
187.56470	0.3
235.21967	0.3
282.56543	0.4
298.09625	8.3
308.97849	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	298.1146
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
55.02316	0.3
56.04859	0.3
57.03437	0.3
59.05005	8.6
63.35110	0.3
69.54405	0.3
79.37123	0.3
85.02890	1.2
87.92676	0.4
91.50116	0.3
97.02842	0.5
101.06015	11.8
110.03527	0.4
119.07053	4.1
119.50186	0.4
121.08395	0.4
136.06172	1.7
149.04561	2.2
152.05672	22.6
153.04111	0.8
166.07231	100.0
167.05621	1.7
235.51181	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	298.1286
Annotation	5574-80-1
Peak:m/z	Relative Intensity
54.28464	1.2
54.37187	1.3
58.19372	1.1
58.90472	1.3
68.99799	1.8
70.06590	40.8
72.04497	6.5
72.90833	1.1
79.05488	2.8
85.02903	22.9
88.13873	1.1
91.81673	1.2
95.04940	8.7
99.04435	3.1
103.03935	1.5
105.06985	3.1
107.04955	28.8
109.02865	1.4
111.00811	4.8
112.07581	5.1
114.05553	5.1
119.37996	1.2
121.02853	6.5
124.03932	16.9
125.05941	2.0
127.03886	6.0
130.82697	1.6
132.06557	11.1
133.06451	4.9
135.04379	5.3
136.06165	5.2
137.05974	2.5
138.05511	24.4
149.05952	5.7
151.03888	8.6
151.07539	2.7
152.05673	1.4
154.08650	12.0
160.37515	1.4
161.05951	6.7
163.03894	1.8
165.05481	2.2
169.04932	6.2
173.94003	1.2
175.07605	1.7
179.07018	15.1
180.06537	2.5
193.04953	5.2
201.09064	2.5
203.06967	2.7
211.05956	14.4
217.08588	2.3
251.09328	1.4
262.10703	2.2
263.09247	13.6
263.11652	2.0
280.11700	22.8
281.10120	7.0
298.09531	4.6
298.12814	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	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.5
57.03434	0.8
59.05012	4.1
63.42393	0.4
69.40088	0.5
73.06558	2.1
75.57030	0.5
78.59506	0.6
83.04978	2.9
85.02903	3.3
90.46278	0.4
91.03959	0.5
94.64346	0.5
97.02892	1.0
101.06018	100.0
101.80695	0.5
119.07050	31.5
124.03946	43.0
124.16276	0.4
127.03876	0.6
131.26570	0.4
136.06157	0.6
166.07304	1.0
252.08727	1.0
298.09195	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	298.3105
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07075	2.3
62.21098	0.9
65.35008	1.3
70.76858	0.9
71.08625	2.3
71.87617	1.0
88.07642	1.6
102.09158	6.7
104.61505	1.1
116.10690	1.6
123.83221	1.2
132.30666	1.2
169.76747	1.0
196.79323	1.1
298.31042	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	299.1279
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.05508	0.7
59.05010	4.3
67.05502	1.0
67.52988	0.4
69.03426	0.5
69.07040	1.5
71.53812	0.3
75.95178	0.3
79.05478	0.7
81.07053	1.4
85.06520	0.4
91.05456	0.9
93.07043	2.0
95.04946	0.8
95.08595	3.4
97.06526	1.8
105.07044	3.3
107.08588	2.3
109.06503	2.1
109.10145	1.9
111.08075	0.6
117.07015	0.5
119.08558	4.9
120.22265	0.4
121.06500	0.7
121.10169	2.7
123.04411	0.5
123.08048	1.9
131.08537	2.0
133.06502	0.5
133.10110	3.5
134.20207	0.4
135.08055	3.3
135.11681	0.7
137.09575	0.6
143.08614	2.7
145.10098	4.3
147.08040	0.7
147.11717	1.5
149.09636	0.6
155.08533	1.9
157.10164	4.1
159.08063	0.7
159.11626	3.1
161.09595	0.8
161.13283	0.6
163.11229	0.4
169.10114	2.6
171.08022	1.5
171.11674	3.0
173.05969	0.4
173.09639	2.7
173.13266	0.8
175.07561	0.6
175.11186	0.7
179.08485	0.4
181.10156	0.6
182.10895	0.5
183.11736	2.8
185.09650	4.5
185.13248	2.0
187.11212	1.5
193.10130	0.5
195.08006	0.8
195.11661	1.0
197.09575	0.8
197.13222	3.1
199.07613	0.5
199.11179	1.5
201.12720	1.6
207.11658	0.8
209.13211	1.6
211.11212	2.1
211.14793	2.0
213.09087	4.0
213.12706	2.0
214.01352	0.5
215.14290	0.4
221.13214	0.9
223.14772	0.7
225.12703	5.6
225.16275	0.6
229.12131	1.5
229.15759	0.6
238.13573	0.5
239.10645	0.5
239.14240	2.4
239.17892	2.0
241.08597	2.6
241.16039	0.6
242.09296	0.4
243.06534	0.4
243.13832	0.7
253.12160	0.6
253.15956	0.8
253.19460	4.2
255.17468	0.8
256.10931	5.6
257.11542	2.8
257.15427	0.7
257.19077	0.7
263.17957	1.5
267.10126	3.9
269.08258	0.5
271.13318	5.7
271.16412	0.7
271.20569	2.4
281.11786	0.7
281.15652	0.7
281.18964	5.6
284.10446	9.6
299.12778	100.0
299.16364	14.8
299.19745	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	299.164
Annotation	Doisynoestrol
Peak:m/z	Relative Intensity
51.31844	1.0
57.07048	1.5
62.52959	0.9
67.05508	1.0
69.03442	1.3
69.07062	1.5
75.09215	1.0
79.05479	2.3
81.07044	2.6
83.04987	1.2
83.08633	1.1
87.34308	1.0
89.21055	1.2
91.05463	2.0
93.07052	7.0
95.04973	1.7
95.08588	2.3
96.55117	1.1
97.06522	1.6
105.07021	6.3
107.08577	8.6
109.06500	2.2
109.10117	2.2
117.07020	1.6
119.08554	10.6
121.06497	5.0
121.10160	4.5
123.08070	1.3
131.08519	2.2
133.06488	2.3
133.10095	4.9
135.08032	5.2
135.11682	1.8
137.09587	1.4
143.08557	4.3
145.10110	6.5
147.08015	4.9
149.09665	4.6
155.08502	2.3
157.10132	5.6
159.08015	5.5
159.11665	2.0
161.09601	5.6
163.69232	1.3
166.07980	1.2
167.08554	2.2
169.10091	6.6
171.08075	2.3
171.11700	5.1
171.55005	1.2
173.09651	4.3
173.13199	1.6
175.11102	1.2
177.09138	2.1
181.10094	2.5
182.10883	1.5
183.11707	8.4
184.12375	1.2
185.09590	1.5
185.13240	3.9
187.11090	1.9
189.12767	1.1
193.10123	2.0
195.11649	4.8
196.12405	1.9
197.09673	5.5
197.13293	5.0
198.10420	1.5
199.11220	2.3
205.10062	1.2
209.13280	4.4
211.11159	8.1
211.14845	5.6
213.12790	3.9
213.16385	1.4
215.10623	1.5
220.12445	1.7
221.13371	1.1
223.11098	2.2
223.14731	1.5
224.11986	1.7
225.12698	4.8
225.16351	4.2
227.10687	1.3
227.14238	1.3
229.12199	1.6
229.15787	1.3
235.14732	1.6
238.13486	3.8
239.10783	1.9
239.14232	6.3
241.12122	1.7
241.15990	1.4
243.10173	1.4
247.69698	1.3
248.11920	1.1
253.15912	12.6
257.11707	4.1
257.15335	2.2
263.14374	1.8
269.15280	1.9
271.16928	5.7
281.15332	10.2
281.18643	2.7
299.13086	3.7
299.16412	100.0
299.20001	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Brombyin II
Peak:m/z	Relative Intensity
50.91665	1.1
54.29020	1.0
55.05510	1.0
59.05014	1.8
63.92058	1.2
65.18610	1.1
69.07057	1.4
79.05506	1.7
81.07070	2.5
83.04969	1.2
91.05483	1.6
92.17813	1.8
93.07031	3.0
95.08632	2.1
105.07018	6.2
107.08598	7.0
109.10131	1.8
110.14131	1.3
119.08556	6.3
121.10122	2.2
131.08588	2.9
133.10110	8.6
135.08092	2.1
135.11685	1.4
143.08553	3.0
145.10110	2.5
147.11656	1.9
149.09653	1.4
155.08487	2.8
157.10091	2.9
159.11679	1.9
169.10060	9.2
171.08064	2.5
171.11671	1.5
173.05998	4.5
173.09612	10.6
181.10213	1.5
183.11687	5.0
185.09618	6.9
185.13225	2.1
187.11176	4.6
195.11656	1.7
197.09599	12.0
197.13274	5.4
199.11246	2.3
201.12656	1.7
203.10625	1.2
205.19377	1.5
211.11136	5.0
211.14807	4.9
213.08948	1.3
214.09897	1.7
215.10649	19.0
221.13280	1.6
224.11697	1.1
226.04530	1.2
227.10733	1.8
229.12325	5.5
239.14218	6.4
239.18044	2.3
241.12277	5.5
256.14615	6.2
257.11783	6.3
257.15305	10.3
271.16904	5.1
279.09061	1.3
281.15436	4.9
281.19000	5.0
299.16425	100.0
299.20041	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1642
Annotation	Acerogenin A
Peak:m/z	Relative Intensity
55.52919	0.6
64.22211	0.6
69.07071	0.8
81.07056	0.8
95.08587	0.9
105.07039	0.8
109.06547	0.8
119.08566	2.6
121.10164	0.9
131.08673	0.8
133.10149	1.0
143.08545	1.4
145.10136	1.5
147.08070	1.1
157.10109	2.5
161.13351	0.7
163.03914	1.0
169.10141	1.2
171.08122	1.1
171.11693	1.0
173.06041	0.8
173.09598	3.5
183.08009	0.9
183.11711	1.4
185.09589	14.2
187.11151	0.9
195.08128	2.6
197.09624	3.7
197.13272	1.4
198.06793	0.9
201.09151	5.6
211.07397	0.8
211.11130	5.7
212.11847	0.9
213.09099	20.9
215.10713	0.7
221.13248	1.1
225.09091	0.7
225.16418	0.8
229.08673	0.9
238.09822	1.3
239.10674	3.9
241.15749	0.7
253.15854	1.5
253.19574	0.8
256.14532	1.0
263.17911	0.8
271.16925	5.6
281.15408	4.3
281.18729	1.3
284.14047	0.9
299.16452	100.0
299.20010	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	299.1639
Annotation	Doisynoestrol
Peak:m/z	Relative Intensity
55.05484	1.7
60.11731	1.2
61.40683	1.4
61.78978	1.3
62.69704	1.7
64.51657	1.6
69.03410	2.2
70.87278	1.4
79.05490	2.1
81.07053	2.7
91.05478	3.0
92.90779	1.6
93.07023	7.6
94.24764	1.4
95.08582	6.4
105.07027	7.2
109.06477	2.4
119.08570	7.4
121.10085	2.1
129.06979	3.6
131.08493	1.5
133.06509	1.9
133.10100	2.4
133.30573	1.6
141.07007	1.9
143.08549	7.1
145.06462	2.5
147.08060	8.6
155.08516	3.6
157.10094	3.0
159.08012	3.1
161.09579	2.5
167.08447	2.0
169.10143	12.9
173.09621	2.3
178.07841	2.2
179.08519	3.1
181.10095	2.7
183.08075	2.7
183.11671	9.7
184.08820	1.4
185.09515	2.9
187.11179	1.5
192.09380	1.7
193.10139	3.0
194.53465	1.6
195.08051	2.3
195.11731	2.5
196.12527	2.5
197.09618	9.3
197.13280	3.4
198.10446	3.3
199.11111	2.8
206.10921	7.0
207.11575	2.0
209.09608	3.5
209.13341	2.5
210.10466	3.2
211.11241	6.1
211.14786	9.0
213.12718	2.6
215.10741	1.9
220.12350	2.4
221.13185	6.7
223.11127	1.8
224.12003	3.0
229.12137	1.5
235.14851	2.6
238.13538	1.7
239.14319	16.4
253.15837	7.7
255.13901	1.9
269.15509	2.6
271.16898	7.5
281.15414	2.9
299.16425	100.0
299.19931	11.0
310.43689	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	299.1641
Annotation	Doisynoestrol
Peak:m/z	Relative Intensity
50.79972	1.3
56.73905	1.8
67.05517	3.3
69.07046	1.8
73.49068	1.7
79.05491	3.0
81.07043	7.7
91.05478	3.3
92.17884	2.9
93.07014	10.0
95.08596	8.5
105.07047	11.1
107.08592	11.0
109.06514	3.2
109.10117	3.0
119.08568	8.7
120.17528	1.5
121.06461	2.6
121.10168	3.8
123.08105	2.2
131.08577	2.7
133.06482	2.8
133.10118	15.2
135.08112	2.8
140.45607	1.7
143.08566	7.2
145.10115	8.6
147.08028	8.3
147.11679	2.7
149.09602	3.6
155.08522	6.9
157.10117	8.8
159.08047	6.1
159.11700	3.5
161.09572	8.3
163.03912	7.0
163.41499	1.5
165.06952	1.8
167.08569	2.3
169.10133	10.3
171.08067	7.7
171.11670	6.6
173.09599	8.1
175.11104	2.1
179.08533	3.7
180.09346	2.4
181.10057	3.6
182.10825	2.9
183.08046	2.1
183.11659	10.0
185.09587	6.6
185.13243	2.4
187.11133	3.7
193.10143	7.3
195.11676	6.1
196.08762	2.2
196.12378	1.9
197.09616	9.2
197.13284	9.2
199.11145	9.6
200.11945	1.6
201.12744	2.5
206.10878	2.2
207.11810	2.4
209.09595	3.0
209.13304	6.6
210.10396	3.1
211.11172	16.6
211.14818	10.4
212.11853	3.4
213.09123	3.3
213.12744	6.7
215.10565	1.9
215.14175	2.8
220.12344	3.0
221.13220	6.5
223.14780	2.0
224.12007	5.9
225.09138	2.6
225.12711	2.8
225.16466	6.6
227.10684	3.2
227.14337	2.2
228.11589	2.4
229.12230	3.6
229.15837	2.1
235.14870	6.0
237.12782	2.9
238.13495	2.6
239.14272	11.7
241.12170	2.3
243.13780	3.5
248.11845	1.8
253.15900	16.0
255.13783	7.0
257.15317	3.4
263.14301	3.3
269.15375	10.0
271.17001	12.8
281.15375	10.5
281.18967	6.8
299.16415	100.0
299.20016	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1639
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
52.75446	2.8
67.13597	2.9
79.05498	5.5
81.07040	7.5
89.70639	3.2
91.05465	15.7
93.07034	16.3
95.04962	4.6
105.07024	14.6
107.08565	4.6
109.06511	12.3
109.21684	3.3
117.06977	3.7
119.08582	6.5
122.17826	3.0
129.06996	19.5
131.08537	12.3
133.06432	5.6
141.06950	6.2
143.08582	13.4
145.06456	6.0
145.10109	12.6
147.08040	15.6
154.07750	3.7
155.08527	26.2
157.10130	7.0
159.08060	7.3
165.06990	13.5
167.08585	13.5
169.10083	32.2
171.11722	3.9
178.07755	12.9
179.08569	34.5
180.09383	12.2
181.10126	7.4
182.10739	3.1
183.11673	15.7
185.09590	4.7
191.08559	31.8
192.09348	23.6
193.10112	27.7
195.11679	15.9
197.09634	15.8
197.13234	14.1
205.10213	6.5
206.10921	82.3
210.10338	5.0
211.11179	13.1
211.14790	23.3
221.13261	94.5
230.84207	3.3
235.78531	3.3
239.14290	82.3
257.15536	7.3
265.59967	3.4
299.16428	100.0
299.19998	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	299.164
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
50.64479	1.0
69.03434	1.9
79.05492	1.8
81.07054	5.6
91.05459	2.7
93.07028	8.0
95.05035	1.3
95.08603	4.8
105.03404	2.2
105.07042	9.5
107.08575	5.5
109.06506	4.6
109.10158	2.4
119.08556	6.2
121.06510	5.0
121.10163	2.0
121.40530	1.1
123.08028	1.2
131.08542	1.8
133.06500	5.4
133.10120	9.0
135.08063	2.6
135.14020	1.3
137.06007	1.4
137.09578	2.2
143.08560	5.4
145.06450	1.9
145.10130	5.0
147.08049	5.2
149.09644	2.2
151.11201	2.0
152.37807	1.3
157.10179	2.8
159.08028	5.8
159.11725	4.4
161.09650	4.6
163.07477	1.3
163.11064	1.4
169.10123	5.8
171.08032	2.1
171.11676	6.2
173.09627	1.6
175.07526	1.6
175.11351	1.5
177.09134	2.2
181.10120	2.4
183.11700	6.8
185.09570	2.0
185.13228	2.3
187.11255	5.6
193.10106	2.1
195.08034	1.5
195.11676	2.9
197.09656	5.8
197.13310	5.1
199.11192	2.7
206.10956	1.4
209.13254	2.0
210.10481	1.9
211.11194	6.3
211.14851	6.1
215.10699	2.6
220.12416	1.4
221.13048	1.4
224.11986	1.3
225.12733	4.6
225.16397	2.6
227.10728	1.6
227.14278	1.8
235.14827	5.0
238.13597	1.8
239.14313	7.4
253.15881	10.5
255.13907	1.4
257.15506	2.5
271.16861	4.7
281.15286	9.8
299.16440	100.0
299.19968	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	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24856	2.7
57.07056	3.4
64.58175	2.8
67.05482	2.9
67.80435	2.6
68.96377	2.4
69.03429	4.1
69.07068	3.5
79.05492	3.4
81.07047	12.4
91.05467	11.5
92.17935	3.1
93.07047	4.6
93.54449	2.3
95.08604	3.9
96.27024	2.2
105.07066	19.7
107.08630	4.4
108.88397	2.6
109.06520	23.6
117.06988	5.9
119.08573	16.7
121.06506	5.0
121.10149	3.2
127.19218	2.7
129.07014	3.2
131.04950	2.5
131.08566	13.5
133.62468	2.1
135.08078	3.2
141.06973	3.1
143.08557	12.5
145.06512	11.0
145.10075	2.5
147.08040	4.8
151.07552	3.2
155.08566	22.3
156.09283	2.3
157.10124	5.6
159.08093	10.8
161.09604	4.6
167.08562	5.5
169.10146	24.9
173.09624	3.6
175.07556	3.7
179.08559	5.0
181.10133	13.7
182.10875	3.6
183.11705	10.3
192.09242	2.3
193.10114	3.0
195.08208	2.4
195.11775	5.0
196.12404	3.6
197.09579	12.9
197.13260	20.2
199.11331	3.1
206.10878	20.1
209.09659	8.4
210.10327	5.1
211.11241	5.6
211.14848	15.0
221.13297	14.3
224.11938	9.9
228.63509	2.5
239.14302	100.0
257.15353	16.6
259.51736	2.4
299.16418	86.3
299.19977	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1642
Annotation	Perrottetin A
Peak:m/z	Relative Intensity
58.95982	0.6
59.04991	1.5
63.73546	0.6
69.23641	0.6
120.38334	0.7
159.11618	0.9
164.63994	0.7
169.10107	1.6
171.08023	1.3
173.05960	5.0
173.09608	5.7
185.09602	6.6
187.11198	5.0
197.09586	8.6
198.70215	0.7
199.07472	1.8
199.11221	0.9
201.09076	3.1
211.11140	1.5
214.09850	1.6
215.10675	18.3
227.10643	1.1
229.12177	3.0
239.10541	1.6
241.12198	4.5
255.13766	1.1
256.14545	5.4
257.11749	2.7
257.15311	7.7
271.16837	3.8
281.15359	5.8
299.16406	100.0
312.74716	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	299.1641
Annotation	Brombyin II
Peak:m/z	Relative Intensity
50.54085	0.6
51.99049	0.7
55.01844	0.7
58.65787	0.6
59.04991	1.1
61.13090	0.6
65.68610	0.6
67.14120	0.6
69.07056	1.0
81.07060	1.3
88.91280	0.6
93.07043	0.9
93.62005	0.8
95.08564	1.2
107.08555	0.8
111.43813	0.7
122.79132	0.6
129.74141	0.6
131.08499	0.7
133.10129	1.6
135.08058	0.8
145.06450	1.1
145.10127	1.2
155.08566	1.1
157.06470	1.2
157.10144	1.4
159.08080	1.3
159.11668	1.4
169.10091	3.8
171.08023	1.1
171.11684	1.2
173.05931	5.2
173.09578	7.8
181.06390	0.8
181.10083	0.8
185.09627	6.8
187.07475	0.8
187.11195	4.9
195.11781	0.8
197.05949	1.0
197.09604	10.5
197.13309	1.4
198.06796	1.1
199.07484	2.4
201.09192	1.3
203.10744	0.8
211.11261	3.7
213.09064	0.9
214.09912	3.3
215.07135	1.2
215.10674	19.4
224.12073	0.8
225.09190	0.9
225.16412	0.7
227.10919	0.8
229.12180	1.5
232.89145	0.7
239.10641	1.5
241.12215	7.0
243.10144	1.2
253.15855	1.1
253.19730	1.0
255.13649	1.3
256.11005	1.2
256.14642	6.2
257.11694	3.9
257.15372	8.2
269.15182	1.0
271.16992	4.2
281.15414	5.2
281.19022	2.8
299.16434	100.0
299.19943	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	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
53.52999	0.5
57.07061	0.5
68.36185	0.4
69.07024	0.8
81.07063	0.7
84.65831	0.5
92.17803	0.9
95.08597	1.0
105.07051	0.7
107.08571	0.9
109.10136	0.6
119.08593	0.9
121.10123	2.1
133.06540	0.5
136.94591	0.5
145.10165	0.9
155.08524	1.1
157.10126	2.4
159.08032	0.7
159.11676	0.9
161.09660	0.8
163.03886	2.7
165.05356	0.6
167.08554	0.6
169.06456	0.5
169.10188	2.1
171.08093	1.0
171.11688	0.6
173.05954	0.7
173.09621	3.3
183.11699	1.2
185.06010	0.8
185.09622	13.9
187.11349	1.0
193.10092	1.3
195.08080	0.8
196.08823	0.7
197.09590	2.9
197.13271	0.9
198.06728	1.1
199.11137	0.8
201.09102	6.7
209.09625	0.6
211.11218	5.2
213.07018	0.8
213.09085	20.2
215.10765	2.9
216.62640	0.5
221.13261	0.7
223.11284	0.6
224.08241	0.7
225.16490	0.5
227.10587	0.6
235.14900	1.0
237.12653	0.5
238.09946	1.2
238.13582	1.0
239.10620	3.7
239.14255	0.9
252.11496	0.8
253.15871	2.5
256.14597	1.1
266.13080	0.6
271.16815	6.4
281.15359	4.5
281.18954	0.8
284.14056	0.8
292.93967	0.6
299.16422	100.0
299.19852	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	299.2004
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
55.05504	2.2
57.03432	1.3
66.89974	1.0
67.05489	1.7
67.91978	1.1
69.07057	5.9
78.89197	1.1
79.05507	1.6
81.07043	5.5
83.04945	1.7
83.08597	4.6
91.05487	4.7
93.07037	9.3
95.04952	4.7
95.08601	9.4
97.06490	1.4
104.61909	1.3
105.06997	6.3
106.07455	1.1
107.08572	9.6
109.06484	5.5
109.10116	5.8
111.08076	1.5
112.56299	1.2
119.08564	15.9
121.06517	2.7
121.10114	7.1
123.08064	6.1
131.08519	5.1
133.10132	12.3
135.08029	7.6
135.11707	2.8
137.09561	2.3
141.95540	1.1
143.08534	5.6
145.10178	11.1
147.08018	5.1
147.11658	6.0
149.09621	2.2
155.08556	4.8
156.09355	1.7
157.10117	13.0
159.07993	5.1
159.11694	8.1
161.09587	6.5
161.13264	1.7
163.11177	2.9
169.10097	14.1
171.11717	10.0
173.09558	2.8
173.13243	6.0
175.11116	2.4
177.12654	1.6
179.08499	1.4
181.10112	2.7
182.10875	2.3
183.11700	13.2
185.09596	2.7
185.13268	6.7
187.11148	6.2
187.14793	2.1
189.12689	2.0
193.10146	1.5
195.11684	5.3
197.09557	1.4
197.13216	15.1
199.11171	2.3
199.14796	2.3
201.12700	2.8
205.33188	1.1
207.11630	2.6
209.13255	4.7
211.11163	5.6
211.14801	7.6
213.12573	1.6
215.14203	1.9
221.13219	2.3
223.14688	2.2
225.10657	1.1
225.12698	6.7
225.16203	1.6
227.14285	2.5
229.15791	1.6
239.14259	4.7
239.17894	1.7
241.15932	1.7
253.19449	13.7
255.17392	2.7
257.18835	1.8
263.17859	2.8
271.20554	7.3
281.18985	16.9
299.12869	2.8
299.20013	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	299.2006
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
50.82753	1.1
55.05506	2.0
56.06881	1.3
57.07072	1.6
67.05489	2.3
72.07703	1.4
79.05478	1.6
79.56770	1.5
81.07057	2.9
82.52972	1.3
83.08602	3.2
83.58187	1.5
91.05486	1.7
93.07021	9.2
95.04956	2.7
95.08569	6.4
105.07010	10.0
107.08570	9.2
109.06516	2.2
109.10128	6.9
110.54647	1.8
112.14590	1.3
117.07001	1.8
119.08548	12.2
121.06545	1.8
121.10146	11.2
123.08049	1.6
123.11663	7.9
125.09551	1.9
126.12897	1.7
129.06975	2.4
131.08559	2.8
133.10152	13.3
135.07977	2.7
135.11636	7.3
143.08556	7.5
145.10103	8.3
147.08031	7.4
147.11673	2.7
149.09636	5.9
155.08516	6.3
157.10066	12.5
159.11653	11.1
159.70706	1.5
161.09563	6.0
161.13283	1.9
163.11131	3.2
169.10164	10.8
171.11647	9.5
173.09627	3.9
173.13210	2.9
175.11250	2.8
175.14781	1.7
181.10132	2.8
182.10965	1.8
183.11664	7.3
184.96912	1.7
185.13185	3.1
187.11122	3.0
195.11713	1.8
197.09583	2.9
197.13228	7.1
199.11232	3.2
203.14168	2.0
207.11476	1.7
209.13268	2.1
211.11256	2.0
211.14813	2.2
213.12733	3.6
221.13237	2.0
225.12650	8.2
239.14250	3.2
239.17899	3.4
241.15762	2.2
248.15666	1.7
253.19478	6.2
263.17822	2.8
271.20630	2.5
281.18921	18.2
299.16504	7.3
299.20010	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	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05512	1.8
57.07074	2.0
59.01457	0.9
59.42510	0.8
59.78683	0.7
67.05517	1.3
67.85373	0.8
69.07058	3.4
71.04942	1.1
79.05478	1.6
81.07074	7.3
83.08611	1.6
85.00980	0.9
91.05483	3.8
93.07051	8.7
95.04937	1.6
95.08604	7.8
97.06518	4.9
105.07014	8.5
107.08575	9.6
109.06490	5.1
109.10146	5.6
117.06974	1.4
119.08566	11.2
121.06509	2.0
121.10131	10.8
123.08028	1.6
123.11683	6.0
129.07027	1.8
131.08546	7.9
133.10127	8.7
135.08034	4.2
135.11653	5.0
143.08568	9.5
145.10088	9.2
147.08052	1.1
147.11699	4.4
149.09575	1.8
155.08536	5.3
157.10132	9.6
159.07993	1.2
159.11693	12.0
161.09610	1.8
161.13217	4.9
167.08571	1.1
169.10133	10.3
171.08026	1.3
171.11681	10.6
173.09627	1.6
173.13217	6.0
175.14812	2.2
179.08592	1.2
181.10052	3.9
182.10954	1.5
183.11725	10.3
185.09590	1.3
185.13304	7.2
187.11166	3.7
187.14813	1.9
189.12782	3.2
193.10115	4.0
195.11717	8.7
196.12485	1.7
197.09589	1.3
197.13264	17.2
199.11145	3.9
199.14784	1.3
201.12704	1.7
207.11703	6.9
209.13274	7.0
211.11223	8.4
211.14745	8.6
213.12703	3.7
221.13199	3.8
223.14861	1.6
225.12726	4.1
225.16338	1.8
227.14365	1.6
229.12125	3.4
229.15729	1.0
237.16364	1.6
239.14236	1.9
239.17935	7.1
241.15785	1.7
243.13837	1.4
251.17863	1.2
253.15712	1.2
253.19452	12.1
257.15393	4.2
263.17889	4.4
266.16464	1.0
271.20587	7.9
281.18997	26.6
299.20032	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.04064	2.2
60.50334	1.9
63.24514	1.7
64.54662	1.7
67.05482	2.6
67.58637	1.7
69.07045	2.9
69.65800	1.8
70.20752	1.7
74.32338	2.0
81.07050	9.1
83.08585	2.4
93.07015	7.6
95.08593	8.6
97.10078	2.1
99.85452	2.2
105.07020	4.6
107.01500	2.3
107.08589	8.9
109.10123	9.5
117.06996	3.0
119.08566	17.3
121.10123	4.5
131.08534	4.8
133.10077	14.8
135.08002	2.7
135.11681	3.6
137.09636	2.4
143.08533	9.0
144.98126	2.9
145.10167	5.0
147.11668	2.7
155.08543	4.6
157.10072	4.5
159.11729	4.4
169.10065	15.8
171.11710	13.9
173.09601	2.7
173.13213	2.5
183.11691	11.8
185.13203	4.0
193.10184	3.4
197.13269	14.2
199.14784	4.0
209.13152	2.4
211.14760	4.3
215.10657	3.6
219.52954	2.6
220.97301	2.1
229.12453	2.2
239.14079	2.4
239.17952	8.6
243.13690	2.4
253.19545	13.3
257.15146	2.2
269.53152	2.2
281.19031	9.2
299.16519	9.2
299.19995	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	299.2005
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
67.05505	3.4
69.07059	4.1
69.55412	2.3
79.05471	3.6
81.07053	4.8
83.04974	4.1
83.08612	4.6
85.22175	2.4
88.68523	2.6
91.05471	5.2
92.17874	2.8
93.07007	3.9
95.08586	3.3
97.06541	5.7
105.07010	4.6
107.08589	12.6
109.06484	5.7
109.10157	5.6
111.08064	3.5
119.08570	97.3
121.10137	4.4
123.08039	3.8
125.05981	3.8
125.09606	10.7
131.08545	19.1
135.08054	13.6
137.09615	9.5
143.08522	11.4
145.10136	14.2
147.08038	3.2
147.11723	2.6
147.76427	2.5
155.08545	4.6
157.10159	10.3
159.11653	4.3
161.09659	3.5
169.10135	4.7
171.11682	5.7
173.09618	5.1
173.13309	13.6
183.11717	10.3
185.13217	4.1
197.13289	6.1
201.12744	12.6
207.11722	3.4
211.11165	3.0
213.12650	4.6
239.17821	4.7
253.19435	3.8
263.18002	3.0
281.18970	19.2
299.20029	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	299.2004
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
51.00140	1.3
51.32354	1.2
55.05508	1.8
69.07070	2.2
71.62687	1.5
79.05500	3.4
81.07052	3.0
83.04962	1.9
83.08611	6.8
85.02866	1.7
91.05474	2.0
93.07059	2.8
95.04997	1.5
95.08593	2.6
97.06523	9.1
105.07008	6.4
107.08582	8.1
107.28850	1.5
109.06522	3.2
109.10156	7.4
111.08086	1.6
119.08571	100.0
121.06499	1.5
123.08047	1.5
123.11673	1.8
125.09601	7.3
129.15596	1.5
131.08554	13.8
133.10127	2.1
135.08060	3.7
137.09615	2.5
138.16266	1.6
141.22005	1.4
143.08578	9.9
145.10124	19.0
149.09564	2.3
155.08511	2.5
157.10081	6.7
159.08014	2.6
159.11649	3.0
169.10112	3.1
171.11688	3.5
173.09631	6.5
173.13239	17.2
183.11691	9.3
187.11151	3.4
195.11797	1.7
197.13313	2.5
201.12740	8.4
225.12637	2.0
227.14366	1.8
237.16394	3.5
239.17897	2.2
281.19098	10.0
294.32376	1.6
299.16696	2.4
299.20044	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	2,6-Dimethylhexestrol
Peak:m/z	Relative Intensity
55.05515	1.3
55.91993	0.9
66.63593	0.8
66.74542	0.8
67.05487	1.6
69.07050	2.1
79.05470	2.2
81.07037	3.8
84.82110	0.9
91.05474	1.5
93.07024	6.7
95.04920	1.2
95.08595	8.3
97.06496	3.8
104.81762	1.0
105.07016	5.8
107.08594	10.1
109.06488	1.9
109.10144	5.9
111.08035	1.2
119.08574	15.5
121.06516	1.9
121.10122	5.3
123.08054	2.0
123.11697	2.0
125.09612	1.9
131.08519	4.9
133.10147	9.5
135.08051	8.6
135.11642	5.3
137.09615	9.2
143.08621	3.4
145.10110	10.6
147.11653	5.5
149.09590	4.9
155.08548	1.9
157.10239	6.4
157.11325	1.0
158.10725	0.9
159.08017	4.7
159.11656	5.3
161.09596	4.7
161.13152	1.6
163.11107	4.2
169.10104	6.8
171.11696	4.5
173.09584	5.3
173.13223	5.9
175.11128	2.0
183.11717	7.6
185.09602	1.2
185.13176	2.1
187.11211	3.9
187.14809	1.4
189.12709	1.6
195.11682	1.4
197.09450	1.5
197.13248	10.0
199.14792	1.8
201.12703	2.3
203.14412	1.2
209.13219	1.8
211.11237	1.7
211.14792	5.6
213.12721	1.2
215.14212	2.0
221.13129	1.4
223.14818	1.4
225.12735	1.4
229.12199	1.2
239.14331	1.2
239.17892	1.7
241.15720	1.7
243.13786	1.5
243.20830	1.0
253.16043	1.9
253.19435	9.7
255.17310	1.3
257.18903	2.3
263.17810	1.1
271.20523	5.7
281.19046	14.2
291.60614	1.1
299.12793	4.0
299.16614	5.0
299.20020	100.0
317.49704	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
57.07073	3.4
59.70949	2.1
62.43601	2.2
69.07062	5.6
71.05006	2.2
79.05493	2.8
80.38961	2.8
81.07059	12.8
83.04989	3.0
83.08607	3.0
90.18596	2.3
91.05451	4.3
92.18517	4.2
93.07025	2.5
95.08589	8.9
97.06511	10.8
105.07008	13.7
107.08578	11.9
109.06523	4.9
109.10152	5.2
111.35796	2.3
119.08571	79.2
121.10111	9.4
123.11681	3.9
131.08534	16.0
133.10133	5.3
135.08028	9.6
135.11722	3.6
137.09584	4.6
143.08606	10.0
145.10127	17.4
149.09595	9.1
155.08554	9.3
157.10118	12.5
159.08023	2.3
159.11699	5.4
161.09570	3.4
162.32999	2.4
169.10118	10.6
169.28781	2.2
171.11635	5.5
173.09601	10.7
173.13226	14.4
175.14757	2.5
183.11667	4.0
185.09679	2.3
185.13292	2.5
187.11133	2.9
195.11632	4.5
197.13237	3.0
201.12686	4.7
205.14934	2.7
211.14842	9.7
227.14294	3.9
237.16386	4.1
239.14230	2.7
239.17896	3.1
253.19525	2.7
255.17224	3.7
263.17911	3.0
281.18982	10.1
299.16492	11.5
299.20010	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.86530	1.3
52.07444	1.3
55.05506	3.1
57.03418	1.5
57.07067	1.4
59.10901	1.4
67.05505	2.2
69.03422	1.6
69.07057	3.5
71.01342	2.4
76.99788	1.4
79.05494	2.1
81.07047	8.3
83.08606	6.4
91.05457	5.9
92.17883	3.2
93.07026	7.5
95.04936	1.9
95.08587	6.9
97.06527	10.3
99.08138	1.6
105.07026	5.9
107.04967	1.6
107.08574	11.9
109.06506	3.6
109.10157	10.4
119.08572	100.0
121.06495	8.9
121.10138	6.8
123.08060	2.8
123.11709	1.7
125.06003	1.9
125.09625	7.3
131.08549	19.5
133.10100	10.9
135.08031	3.0
135.11761	1.8
137.09633	3.5
143.08568	9.3
145.10143	16.5
147.08075	2.1
147.11745	2.3
149.09590	5.5
155.08548	6.7
157.10104	8.6
159.08049	1.7
159.11670	6.9
161.09584	3.1
169.10158	6.6
171.11734	3.5
173.09610	2.9
173.13322	14.7
175.11191	2.5
181.10037	1.5
183.11652	9.6
185.09680	1.8
185.13242	5.1
187.11115	3.1
189.12828	1.6
191.10724	2.3
197.13210	2.8
201.12753	5.9
209.13042	1.8
211.14873	1.8
215.14243	2.2
221.13480	1.6
227.14334	3.3
237.16457	6.4
239.17976	3.1
263.17950	1.7
271.20609	2.4
281.18820	11.2
290.19604	1.5
299.14874	3.0
299.16611	2.9
299.20059	83.1
303.14108	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	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.05503	1.1
57.07074	1.6
57.68427	1.3
67.05499	2.0
69.07056	2.2
74.91239	1.2
77.09135	1.3
81.07053	5.8
85.06549	1.9
91.05474	2.5
93.07048	1.9
95.08596	2.0
96.49164	1.5
97.06514	8.2
104.50811	1.5
105.07024	6.0
107.08583	9.6
109.06581	1.4
109.10162	3.2
109.65618	1.4
119.08575	100.0
125.05943	2.7
125.09610	6.9
131.08569	13.3
133.10126	6.1
135.08113	1.5
139.79221	1.3
143.08551	2.6
145.10117	10.8
155.08554	3.0
157.10121	2.6
159.08057	1.8
159.11673	2.6
161.09668	1.4
169.10132	3.6
171.11623	1.8
173.09592	3.1
173.13287	12.6
183.11700	2.6
195.11702	2.2
197.13199	3.1
201.12698	2.9
227.14452	1.5
241.15950	2.0
278.64746	2.0
281.19052	8.2
299.16653	4.3
299.20023	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
52.60049	1.5
52.85206	1.9
55.05497	3.4
62.01106	1.7
62.27907	1.5
67.05483	2.7
69.07056	3.1
71.22891	2.1
73.28351	1.7
81.07042	3.7
83.08610	3.5
83.47985	2.0
86.25938	1.8
91.05449	2.8
93.07047	2.7
95.08586	7.2
105.07016	3.5
107.04939	2.2
107.08543	7.2
109.06441	2.6
109.10115	10.2
119.08579	19.3
121.10123	2.9
123.08028	2.1
125.09579	2.6
127.62820	2.2
131.08575	4.3
133.10086	7.4
135.08029	2.4
135.11644	2.3
137.09575	3.0
143.08545	2.4
145.10085	12.5
147.08101	2.2
149.09555	7.8
155.08545	3.2
157.10069	8.1
159.08005	2.4
159.11647	4.2
161.09529	2.7
169.10098	4.2
171.11681	3.6
173.09584	2.6
173.13197	2.4
175.11133	2.7
183.11656	3.4
185.13109	2.3
187.11166	2.9
189.12717	3.2
197.09630	2.3
197.13220	4.4
199.11243	3.1
201.12697	3.7
206.10742	2.1
209.13310	2.0
210.70900	2.1
211.11237	2.3
211.14822	2.9
213.16402	2.2
215.10693	2.7
225.12686	3.2
229.12169	2.6
239.14110	2.9
253.19427	9.0
258.28046	2.1
271.20435	2.2
281.18927	8.3
299.16367	15.6
299.19986	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	299.2006
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
51.73482	1.1
55.05505	1.7
62.75003	1.1
66.87656	1.1
67.05486	5.3
69.07069	1.6
69.32397	1.2
76.15957	1.4
79.05491	2.0
81.07056	9.7
83.04971	1.6
83.08605	2.8
83.09074	1.4
85.06519	1.9
86.94981	1.3
91.33352	1.4
93.07014	7.2
94.65329	1.2
95.04961	1.5
95.08598	16.6
97.06492	1.8
105.07028	9.0
107.08572	10.2
109.06480	3.2
109.10177	4.7
111.08054	2.6
119.07775	1.7
119.08571	29.6
121.06445	2.5
121.10124	5.3
123.08039	5.6
123.11688	1.8
125.09574	7.1
125.10420	1.5
129.07010	1.7
131.08548	7.8
133.10121	10.9
135.08038	3.2
135.11627	2.4
136.07388	1.5
137.09621	13.1
141.07028	1.4
143.08548	9.7
145.10126	9.2
147.11620	5.3
149.09578	6.4
155.08536	3.0
157.10121	16.9
159.11661	6.4
161.09593	2.7
163.11176	2.2
169.10124	25.7
171.11652	15.4
173.09628	6.7
173.13261	3.1
175.11159	3.3
181.10094	2.4
183.11671	14.2
185.09650	1.9
185.13278	6.8
187.11151	2.6
193.10100	2.3
194.10872	1.6
195.11656	7.4
197.13266	12.3
201.12717	2.6
208.12508	4.9
209.13249	10.6
211.03429	1.4
211.14769	2.9
221.13295	5.9
223.14758	10.7
225.12758	2.4
225.16498	2.1
227.14310	2.2
234.14032	3.1
237.16296	7.9
239.14351	2.1
239.17921	9.0
241.15800	2.1
253.19461	6.5
255.17450	1.8
257.19058	1.9
263.17892	5.6
271.20557	2.3
281.15747	2.4
281.18912	17.4
299.09250	2.7
299.16818	3.4
299.20029	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	299.2004
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.72414	1.0
52.48370	1.1
55.00364	1.3
55.05504	2.1
56.78625	1.0
57.24758	1.1
58.87521	1.2
67.05475	2.4
69.07045	8.3
77.76003	1.1
79.05470	3.1
81.07050	6.0
83.04969	2.8
83.08592	2.7
91.05452	6.3
93.07021	10.6
95.04886	1.8
95.08592	6.0
97.06500	5.7
105.06996	11.2
107.08570	7.8
109.06474	4.9
109.10125	15.1
117.07004	2.7
119.08570	48.2
121.06519	2.7
121.10140	6.5
123.08049	1.4
123.11644	1.8
125.09619	1.9
129.06982	2.3
131.08562	11.6
133.10120	7.0
135.08025	6.1
135.11763	1.6
137.09599	5.8
143.08540	8.6
145.06549	2.3
145.10097	9.5
147.07976	1.5
147.11658	5.2
149.09602	5.4
155.08536	8.4
157.10112	10.8
159.08022	2.9
159.11671	3.1
161.09569	2.2
161.13197	1.5
165.03825	1.4
169.10088	7.7
171.11673	7.6
173.09549	7.0
173.13219	13.1
174.01936	1.5
175.11147	2.5
177.12793	1.6
183.11647	16.3
185.09627	6.1
185.13226	6.5
187.11116	9.6
195.11697	2.3
197.13193	7.1
199.11172	1.8
199.14769	1.8
201.12691	16.2
211.14719	3.1
213.16327	1.4
215.14244	1.9
227.14302	12.7
229.12216	1.8
237.16530	1.4
239.14290	2.2
239.17894	5.2
253.19566	4.5
255.17377	1.7
271.20587	1.5
281.18936	14.5
299.20007	100.0
306.99438	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	299.2006
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
52.92242	1.5
54.24322	1.5
57.03427	1.9
57.07063	6.7
59.37677	1.5
61.22247	1.6
62.06082	3.0
66.24038	1.6
67.05515	3.0
69.07035	4.2
69.66042	1.7
71.08612	3.4
72.04478	2.2
74.38862	1.6
79.05491	1.9
81.07036	4.3
83.04926	2.5
91.05440	6.9
92.18451	2.2
93.07033	16.4
93.82532	2.1
95.08597	13.9
105.07023	12.4
106.67264	1.8
107.08575	13.5
109.06538	2.3
109.10126	4.3
111.08078	2.2
117.06972	3.0
119.08578	23.6
121.10117	7.6
123.08077	4.0
129.06943	2.8
131.08508	10.5
133.06444	3.4
133.10124	18.7
135.08038	3.8
135.11662	3.9
137.09590	7.3
142.07663	2.1
143.08548	12.7
145.10110	11.4
147.08000	2.2
147.11635	2.2
149.09631	5.7
155.08534	10.2
157.10072	8.9
159.08017	2.0
159.11632	6.9
161.09576	7.0
167.08607	2.0
169.10068	10.5
171.11588	8.5
173.09554	3.5
173.13220	2.5
175.11128	3.1
181.10167	2.1
183.11691	14.1
185.09583	2.5
185.13232	2.9
187.11090	2.6
196.12418	2.1
197.09538	2.9
197.13263	14.0
201.12743	3.0
206.11052	2.3
209.13287	2.8
210.14131	1.6
211.11221	2.1
211.14804	9.4
213.16162	1.9
219.96939	1.6
221.13094	3.7
223.14760	3.6
224.11995	2.3
225.12634	2.4
225.16312	4.1
227.14149	1.8
230.24782	14.6
237.16502	1.8
239.14259	21.1
239.17891	8.6
240.23196	10.1
241.15746	7.9
253.19357	6.8
257.15283	4.1
257.18939	3.6
258.24280	37.8
263.17798	2.8
269.18909	3.4
271.20679	2.0
281.19028	18.0
299.13330	2.4
299.16385	17.5
299.19965	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	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05178	0.4
59.02008	0.3
80.05017	0.7
81.03391	0.4
86.33990	0.4
121.85702	0.3
124.03947	100.0
128.07094	3.2
138.05511	1.7
141.99788	0.4
254.13828	0.6
258.04739	0.5
292.60168	0.4
300.05713	1.8
300.10779	31.4
300.13962	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	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56932	0.2
56.46622	0.2
59.00027	0.2
80.04988	0.4
84.77144	0.2
90.74059	0.2
96.04499	0.4
124.03942	100.0
138.05496	3.4
138.09109	0.3
259.04224	1.4
300.10745	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13020	0.3
63.85966	0.2
79.75809	0.2
80.04996	0.4
91.60345	0.2
92.18437	0.3
96.04470	0.4
98.69956	0.3
124.03946	100.0
142.93016	0.3
255.45447	0.3
300.10764	27.2
314.36230	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	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11481	0.2
70.16164	0.2
76.79520	0.2
78.03387	0.2
80.05020	0.6
85.70565	0.2
96.04453	0.5
120.04346	0.4
124.03944	100.0
293.50830	0.3
294.38324	0.3
300.10745	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
79.04243	0.2
80.05004	1.0
85.02897	0.2
90.86465	0.2
94.50309	0.3
96.04482	0.5
117.99364	0.4
120.08102	0.5
124.03951	100.0
136.06197	0.4
137.05977	0.5
138.09140	0.5
159.18172	0.3
193.03224	0.3
300.10785	27.8
300.13812	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	300.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65675	0.5
55.99241	0.5
56.63527	0.4
56.96537	0.6
57.03426	0.5
59.05008	0.5
61.02922	1.3
63.16503	0.6
69.03435	3.1
70.06592	2.9
73.02920	1.0
74.75745	0.6
75.04482	0.6
81.03407	2.4
85.02898	10.6
96.04479	0.7
97.02885	2.9
98.97588	1.0
104.10745	0.9
107.52416	0.5
109.02859	1.4
120.08109	4.0
122.06017	0.9
122.09621	0.6
124.03922	6.1
127.03883	1.3
130.72459	0.7
135.03073	0.7
136.06215	4.9
138.05501	100.0
138.09119	6.6
159.04443	0.9
159.05664	0.7
165.05473	0.9
167.12323	0.8
174.05545	2.3
177.05600	1.1
178.06261	1.3
179.07021	1.3
184.07420	0.7
188.07109	0.9
191.07175	2.1
192.06589	2.6
193.04985	1.2
203.05792	1.1
204.04805	0.7
206.08119	26.2
207.06580	2.4
208.09789	1.0
218.08112	27.5
219.01923	0.6
219.06670	0.8
220.06010	0.7
222.05754	0.8
236.09247	4.2
238.07022	1.0
252.08676	11.4
254.10309	2.3
264.08624	11.8
282.09766	6.9
300.10858	35.8
300.14481	5.6
300.19974	1.3
322.93967	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	300.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00456	0.3
50.52538	0.3
51.02372	0.4
58.02963	9.9
60.56478	0.4
77.03905	0.4
79.05488	0.8
79.73343	0.3
79.87931	0.4
91.05474	32.0
95.04978	3.1
103.05476	0.8
105.03387	73.6
119.04930	6.3
120.08089	5.4
121.06499	0.8
132.08086	2.6
136.07570	100.0
138.63968	0.4
150.09096	0.9
217.08510	0.4
254.11746	0.6
300.12469	2.6
300.16763	3.3
300.20078	0.6
300.28748	1.3
301.34622	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	300.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63794	0.3
58.02706	0.6
58.02967	9.4
61.93136	0.3
75.44267	0.3
77.03928	0.6
79.05472	0.5
81.07058	0.4
91.05480	29.3
91.47950	0.4
95.04976	2.8
103.05468	1.9
105.03397	69.7
105.04528	1.8
119.04945	5.6
120.08100	4.5
121.06499	1.7
132.08052	2.9
136.07578	100.0
150.09073	0.8
164.95500	0.4
254.11896	0.5
281.88861	0.4
300.12497	2.3
300.16788	4.6
300.20453	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	300.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67657	0.5
56.42475	0.4
58.02967	9.8
58.76681	0.5
75.98963	0.5
79.05474	0.9
85.43480	0.5
91.05476	30.6
95.04951	2.3
103.05463	1.2
105.03394	64.8
108.01816	0.6
119.04925	6.0
120.08099	5.2
132.08075	2.5
136.07574	100.0
150.09123	0.9
152.20760	0.8
179.97762	0.6
195.99582	0.7
204.34085	0.7
214.09669	0.5
227.66165	0.5
231.61186	0.5
245.08659	0.6
300.12329	3.5
300.20389	2.9
307.39594	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	300.1231
Annotation	1,3,4-Trimethoxy-N-methylacridone
Peak:m/z	Relative Intensity
53.03942	0.6
58.02952	0.4
76.90217	0.3
77.03926	0.4
89.85845	0.3
91.05466	1.6
95.04962	3.8
105.03395	100.0
119.04939	1.2
120.08103	20.5
132.08066	2.8
134.09615	0.5
136.07576	6.7
145.50948	0.3
147.04401	0.4
150.09181	0.5
164.87076	0.3
178.08632	0.4
198.13673	0.5
235.05241	0.3
254.19888	0.4
269.08182	1.9
282.19357	0.5
300.12308	13.3
300.20322	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	300.2897
Annotation	3-Dehydrosphinganine
Peak:m/z	Relative Intensity
53.64872	1.9
55.05506	11.7
56.05029	2.1
57.07067	8.7
57.51135	1.8
60.04528	100.0
60.16298	1.7
67.05503	19.3
68.40302	1.7
69.07068	14.7
73.39593	1.8
75.29016	1.9
79.05483	10.9
81.07050	22.3
83.08620	14.4
91.05453	2.6
92.60427	1.9
93.07041	18.4
95.08594	15.8
97.10149	4.4
100.07592	8.7
107.08579	9.6
109.10142	9.3
111.08046	2.2
114.09156	2.9
121.10136	13.4
135.11641	7.8
136.07573	2.6
164.22794	2.2
221.98993	2.2
229.12242	3.1
230.12538	10.8
254.12706	2.1
282.19284	2.3
282.27875	90.0
282.30963	3.2
300.20294	10.1
300.25916	3.5
300.29010	69.3
300.32352	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	300.2898
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
57.07081	14.5
62.06095	100.0
63.55873	1.8
64.54223	2.0
71.08624	8.5
78.85011	1.8
79.72249	1.6
81.04212	1.7
81.07031	2.6
83.08611	2.5
83.66837	1.6
84.93820	1.7
85.10192	2.8
88.36843	1.7
93.58639	1.8
95.00600	2.0
95.08566	3.0
109.76823	2.1
133.07098	1.8
137.13365	2.0
169.71484	1.8
282.27975	2.3
283.26315	11.1
300.29034	36.7
300.32309	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	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
52.96679	0.4
54.13842	0.3
55.05497	0.4
69.03439	0.7
69.07075	1.0
79.05479	0.8
81.07050	1.9
83.08635	0.5
85.26740	0.4
93.07038	0.9
95.08595	2.5
97.06467	0.6
105.07013	2.2
107.08589	2.4
109.06463	0.6
109.10139	1.9
109.12867	0.4
111.36578	0.5
119.08562	2.6
121.10121	1.9
131.08629	0.5
133.10138	2.7
135.07985	1.0
135.11685	0.6
135.91550	0.4
145.10130	2.1
146.35509	0.4
147.11674	2.2
149.09570	0.6
149.13300	0.6
157.10109	1.9
159.11679	2.1
169.10135	0.8
171.11690	0.8
173.13274	0.8
175.11223	0.8
183.11751	0.6
185.13254	1.0
187.08733	0.4
187.14841	0.8
195.11644	0.7
201.12749	0.6
203.10628	0.5
213.12718	0.5
225.16408	0.7
255.21104	0.7
258.05222	5.9
265.19431	0.6
283.16965	0.9
283.20508	3.8
286.04712	50.5
301.07065	100.0
301.17941	7.4
301.21609	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	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
59.99692	0.4
60.26601	0.6
67.05501	1.0
69.07053	0.9
81.07069	4.3
83.04983	0.5
91.05480	1.1
93.07027	3.0
95.04977	0.6
95.08600	4.1
97.06526	0.9
105.07062	4.0
107.04942	1.0
107.08569	3.3
108.93700	0.5
109.06537	0.5
109.10142	2.3
119.08556	3.4
121.06512	1.0
121.10118	2.7
123.11662	0.5
131.04898	1.2
131.08519	3.1
133.10120	3.1
135.07991	0.7
135.11684	1.1
139.03918	0.9
143.08537	1.2
145.10088	3.1
147.11647	2.0
149.13304	0.6
151.03912	1.9
155.08476	0.7
157.06445	0.7
157.10117	3.2
159.08051	0.9
159.11670	3.5
161.09563	0.7
161.13191	0.9
163.11154	1.0
169.10110	1.1
171.08017	0.8
171.11682	2.9
173.13217	2.6
175.11102	0.7
183.11638	0.9
185.13200	0.6
187.11211	0.6
187.14845	0.5
195.08073	0.5
197.13196	1.1
199.11115	0.6
199.14822	2.0
201.12730	0.6
209.13264	2.0
211.14703	0.6
213.12744	1.0
213.16377	0.9
215.14308	0.5
223.14906	1.1
225.09097	0.7
225.16383	1.2
243.17488	0.7
255.06760	0.5
255.17352	0.7
255.21005	2.0
257.18884	0.7
258.05191	5.4
265.19440	1.8
271.20578	0.5
278.95792	0.5
283.17117	0.8
283.20502	7.6
286.04715	49.2
301.07059	100.0
301.14337	2.2
301.17999	5.6
301.21600	23.9
301.24997	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	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13805	0.5
70.06593	0.5
72.08121	0.5
72.69989	0.4
75.90349	0.5
84.08121	0.6
85.02911	0.5
93.31161	0.5
97.02853	0.9
98.97572	1.2
104.98272	0.4
110.09655	0.5
124.03905	3.2
125.04272	3.5
135.04326	0.7
137.33789	0.5
139.03912	6.7
139.07417	0.7
143.00130	1.2
147.04390	1.2
151.03902	3.2
156.10173	2.8
161.01138	0.5
163.03909	2.7
173.13469	0.6
181.04958	2.7
202.10664	1.0
203.05220	1.3
205.04939	1.9
218.04753	0.6
219.01758	2.4
237.02800	18.7
255.03874	11.5
255.17053	1.0
259.05869	0.6
260.04346	0.7
266.23294	0.6
301.12561	100.0
301.17960	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	301.1797
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
59.87379	0.3
62.41631	0.2
67.05484	0.4
79.05425	0.3
79.37709	0.3
81.07029	0.7
81.75278	0.3
88.33845	0.3
91.05467	0.6
93.07030	1.3
95.08585	0.6
97.06525	0.3
98.07039	0.3
102.71445	0.3
105.07053	2.0
107.08575	1.3
109.06467	0.6
111.08075	0.4
119.08588	1.4
121.06499	0.4
121.10101	0.4
123.04396	0.3
123.08084	0.3
123.27785	0.3
124.69479	0.3
129.06979	0.4
129.16206	0.3
131.08542	1.4
133.10115	1.8
133.71393	0.3
135.11635	0.3
135.91891	0.3
137.05994	0.3
143.08556	1.8
145.10098	3.5
147.11650	1.2
155.08554	0.5
157.06447	0.5
157.10109	1.3
159.08014	0.5
159.11674	1.2
161.13245	0.3
169.10118	0.7
171.08057	0.5
171.11667	0.7
173.09654	2.3
173.13297	0.3
175.11208	1.7
177.09172	0.3
180.09474	0.3
181.10126	1.3
183.11685	1.2
185.09547	0.6
185.13263	2.4
187.11256	0.6
189.09058	0.6
195.11703	1.5
197.13235	1.8
199.11143	0.5
199.14771	0.6
209.09512	0.4
209.13234	2.6
210.14021	0.3
211.11336	0.4
211.14827	1.2
213.12782	2.5
213.16344	0.4
215.14308	1.2
215.17856	0.4
223.11139	1.4
223.14752	0.4
225.12750	2.5
227.14323	1.3
227.17903	0.4
231.13861	0.4
232.12357	0.3
235.11250	0.4
236.11876	0.6
237.12706	0.6
237.16325	4.6
239.14191	2.1
241.15855	0.4
243.13681	0.4
247.14815	0.4
250.13513	1.5
255.17398	2.6
265.15875	5.8
273.18335	0.5
283.16922	20.1
283.20349	1.7
301.17981	100.0
301.21414	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	301.18
Annotation	Adrenosterone
Peak:m/z	Relative Intensity
55.05511	0.4
59.22656	0.3
63.59763	0.3
67.05502	0.8
69.07061	0.3
72.54211	0.4
81.07053	1.5
85.06526	0.4
91.05452	0.6
91.83484	0.3
93.07047	1.8
94.40576	0.3
95.04952	0.6
95.08604	1.9
105.07022	2.0
107.08600	2.4
109.06499	0.7
109.10112	0.6
111.08118	0.4
117.07005	0.7
119.08584	2.7
121.10123	1.7
123.08026	0.4
129.07062	0.4
131.08565	2.2
133.10103	3.3
135.11713	0.4
137.05957	0.6
143.08527	3.0
145.10104	4.0
147.08040	0.6
147.11700	0.8
150.02937	0.4
157.06410	0.6
157.10132	1.7
159.08061	1.5
159.11636	2.5
161.09660	0.7
161.13280	0.5
161.19540	0.4
169.10139	0.6
171.08012	0.5
171.11613	1.3
173.09610	2.8
173.13258	0.7
175.11200	2.1
181.10066	0.8
183.11713	1.5
185.09599	0.5
185.13263	3.0
187.11166	1.4
189.09081	0.7
189.12900	0.6
189.30899	0.4
193.10223	0.4
195.11673	2.2
197.09665	1.5
197.13272	3.0
199.11165	0.7
199.14777	1.7
201.12672	0.8
209.09644	0.6
209.13263	1.6
211.14848	0.7
213.12779	2.4
213.16354	0.4
215.14409	0.7
217.12608	0.4
221.13029	0.4
222.14034	0.5
223.11130	0.6
223.14844	1.8
225.12695	2.7
227.14404	1.7
227.17880	0.5
231.13835	0.5
236.11972	0.4
237.12694	0.4
237.16353	3.8
239.14278	2.0
241.15762	0.5
247.14842	0.5
250.13568	1.8
255.17404	2.0
264.95493	0.4
265.15900	6.4
265.19537	0.8
273.18423	0.7
283.16943	19.5
283.20435	1.7
301.07056	2.9
301.18018	100.0
301.21548	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	301.1798
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
59.79459	0.3
67.05519	0.6
69.07069	0.6
79.05475	0.6
79.75681	0.3
81.07060	2.3
83.04937	0.5
89.79391	0.3
91.05494	0.5
93.07026	1.7
95.08590	2.2
97.06506	0.5
105.07019	2.0
107.08578	2.0
107.31590	0.4
109.06491	0.8
109.10163	0.7
111.08086	0.6
119.08565	2.3
121.06517	0.6
121.10131	2.0
129.06979	0.4
131.07613	0.5
131.08577	1.9
133.10133	2.6
135.11705	0.8
143.08545	2.4
145.10085	4.1
147.08090	0.5
147.11656	2.1
155.08553	0.9
157.10155	1.7
159.08026	0.5
159.11679	1.8
161.13246	0.4
163.11195	0.4
169.10126	0.6
171.08069	0.5
171.11691	1.7
173.09633	2.4
173.13243	0.7
175.11211	1.8
181.10069	1.5
183.11633	0.8
185.09630	0.7
185.13272	1.9
187.14854	0.8
193.10115	0.5
195.11697	1.6
197.13264	3.1
198.13992	0.4
199.11261	0.8
199.14778	1.7
201.12839	0.4
209.09610	0.7
209.13269	2.0
211.14816	0.8
213.12794	1.6
213.16426	0.4
215.14406	0.4
223.11244	0.8
223.14815	0.7
225.12740	2.0
226.56575	0.4
227.14331	0.8
236.12080	0.5
237.16376	4.6
239.14352	1.6
247.14790	0.6
250.13577	1.6
255.17424	3.1
255.21237	0.5
265.15848	4.2
268.14316	0.5
273.18390	0.8
283.16925	18.2
283.20193	0.8
301.18002	100.0
301.21506	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	301.1798
Annotation	16-nor-15-Oxoabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
55.05509	0.5
59.05011	0.1
59.26372	0.1
67.05495	1.4
69.03431	0.2
69.07056	1.0
71.04959	0.1
71.46941	0.1
79.05490	1.1
79.96845	0.2
81.07059	3.0
83.04983	0.5
83.08614	0.6
85.06542	0.2
88.28738	0.1
91.05481	1.6
92.18578	0.1
93.07027	2.7
95.04954	1.1
95.08617	2.3
97.06518	0.6
97.10168	0.1
105.07025	2.9
107.04940	0.2
107.08581	2.7
109.06500	1.3
109.10155	1.0
111.08063	0.3
117.07026	0.8
119.04941	0.2
119.08578	3.1
121.06506	0.9
121.10140	2.1
123.08070	0.8
123.11667	0.2
128.06250	0.3
129.07001	0.9
131.08575	2.7
133.10124	2.7
135.08040	0.3
135.11694	1.0
137.05981	0.9
137.09573	0.2
141.06924	0.5
142.07848	0.2
143.08549	2.9
145.06493	0.2
145.10114	4.1
147.08067	1.0
147.11668	2.6
149.09706	0.3
149.13254	0.3
151.07576	0.2
155.08553	0.9
157.10112	2.5
159.08038	0.9
159.11682	2.7
161.09607	0.9
161.13228	1.1
163.11218	0.2
167.08562	0.8
169.10086	1.6
171.08041	1.1
171.11664	1.9
173.09605	3.0
173.13213	1.3
175.11191	2.1
175.14890	0.2
177.12679	0.3
179.08574	0.6
181.10115	1.5
182.10922	0.2
183.11705	2.0
184.12341	0.2
185.09583	1.1
185.13246	3.2
187.11150	0.2
187.14784	0.9
189.09125	0.6
189.12808	0.5
193.10165	0.3
195.08156	0.2
195.11678	2.0
197.09615	0.7
197.13245	2.7
198.14001	0.3
199.11218	1.0
199.14772	2.1
201.12769	0.7
201.16385	0.2
203.14255	0.2
207.11705	0.3
209.09731	0.3
209.13210	2.0
210.10533	0.2
210.14081	0.9
211.11151	0.3
211.14781	1.6
212.11977	0.2
212.15665	0.2
213.12747	2.5
213.16365	1.0
215.14346	0.7
215.17897	0.2
217.15875	0.3
218.11009	0.2
221.13330	0.4
223.11154	1.2
223.14755	1.5
225.12727	2.5
225.16287	1.6
227.14316	1.7
227.17928	0.9
229.15892	0.3
232.12457	0.3
236.12006	0.3
236.15488	0.2
237.12770	0.3
237.16357	5.3
239.14336	1.6
239.17981	0.5
241.15910	0.7
243.13712	0.3
243.17477	0.9
247.14821	0.8
250.13457	1.4
253.15768	0.2
255.17409	2.6
255.21007	1.3
257.19125	0.2
265.15894	5.3
265.19540	1.9
268.14563	0.3
271.20532	0.3
273.18585	0.9
273.22214	0.2
283.13715	0.4
283.14511	0.4
283.16968	19.0
283.20526	3.9
301.18015	100.0
301.21539	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	301.1798
Annotation	Miltipolone
Peak:m/z	Relative Intensity
50.07817	0.4
51.75320	0.5
53.88692	0.4
57.41971	0.4
58.49891	0.5
61.32713	0.4
64.78288	0.4
67.05511	1.0
69.07047	1.0
74.80175	0.5
81.07039	2.7
91.05478	1.9
92.17937	1.1
93.07040	2.5
95.08604	4.5
105.07030	2.0
107.08586	3.7
109.06496	0.9
109.10165	3.0
117.07013	0.8
119.08528	3.7
121.10132	2.8
123.08049	1.1
123.11709	0.9
129.07057	0.8
131.08522	2.0
133.10115	5.7
135.08015	1.9
135.11690	2.2
137.09599	0.7
141.08925	0.5
143.08554	2.6
145.06464	0.7
145.10129	3.2
145.79532	0.6
147.08118	0.6
147.11691	2.3
149.09592	1.2
149.13297	0.5
150.73781	0.4
151.07605	0.5
155.08469	0.8
157.06494	0.9
157.10107	3.6
159.07979	0.5
159.11678	2.9
161.09554	2.3
161.13290	1.8
169.10051	1.1
171.07947	0.8
171.11685	2.4
173.05928	1.1
173.09589	1.2
173.13287	2.1
183.07997	0.7
183.11681	0.8
185.09579	5.2
185.13266	2.9
186.07724	0.5
187.11116	0.9
187.14864	0.9
189.12711	0.7
195.11623	1.0
197.09648	3.2
197.13191	0.6
198.10394	1.2
199.11211	2.1
199.14842	1.1
201.16397	0.8
209.13353	0.7
210.10371	0.5
211.11224	1.2
213.12772	2.7
213.16396	0.9
215.10637	2.9
215.14328	0.7
223.11160	0.9
223.14534	0.7
225.12683	0.6
225.16331	0.7
227.14189	0.7
239.17993	0.8
240.11446	0.7
240.15132	0.6
241.12234	1.0
241.15868	2.1
241.19479	2.0
243.13881	2.6
245.15182	0.7
255.17500	1.0
255.21068	2.2
257.15366	1.2
257.19000	0.5
258.16180	6.8
265.15756	0.6
265.19507	1.1
265.48947	0.5
271.16779	0.9
271.20569	0.5
272.26865	0.7
283.16931	2.3
283.20544	5.5
300.82028	0.6
301.17972	100.0
301.21579	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.57347	1.0
55.05497	1.8
57.07065	1.0
58.58507	0.9
67.05496	1.9
69.07079	2.5
71.84560	1.2
71.84972	0.9
79.31879	0.9
81.07048	5.1
83.08624	2.0
85.73544	1.4
91.05439	1.8
93.07050	7.2
95.08612	16.0
105.07028	8.3
107.08604	23.8
109.06518	1.5
109.10167	14.1
111.08073	1.8
117.07037	1.5
119.08576	13.2
121.10144	14.1
123.11694	4.6
129.06972	1.2
131.08536	1.7
133.10138	16.3
135.08037	4.1
135.11705	7.8
139.07556	2.3
143.08582	2.6
145.10091	7.3
147.07979	1.5
147.11691	10.6
149.13255	5.4
153.09085	2.1
157.10124	7.6
159.11617	8.7
161.09578	2.3
161.13237	2.4
171.08069	2.5
171.11671	17.3
173.13228	9.0
175.14836	1.5
185.13234	6.8
187.11185	18.7
187.14795	3.9
199.14812	7.4
201.16391	1.6
205.12213	2.1
213.12735	2.4
213.16405	2.4
217.12277	1.3
227.17967	5.1
229.19507	1.9
231.13875	2.6
241.15794	3.9
241.19516	1.2
245.15382	5.3
255.17332	1.5
255.18515	1.1
255.21030	12.0
265.19492	2.3
283.20535	10.6
301.21600	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	301.216
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
52.09978	1.5
54.55628	1.6
57.46067	1.5
67.05499	3.7
68.11050	1.5
69.07059	2.9
81.07057	7.4
83.08599	3.4
91.05445	1.7
93.07021	8.2
95.08645	13.7
105.06995	9.3
107.08581	26.2
109.10141	12.5
119.08610	15.0
121.10123	17.3
123.11676	2.6
131.08546	3.0
133.10112	23.4
135.11653	8.2
143.08563	3.9
145.10109	8.1
147.11664	9.2
149.13246	3.7
153.09105	2.5
155.92068	1.9
157.10155	11.4
159.11662	12.5
161.09613	2.2
161.13210	3.1
171.11630	21.5
173.13240	8.7
175.11159	3.4
181.10098	2.7
185.13205	9.3
187.14798	2.8
199.14812	9.7
213.16396	7.4
225.16444	2.7
229.19627	2.3
241.15695	2.8
241.19551	3.4
245.15451	3.3
255.17467	3.6
255.21010	14.7
265.19406	2.3
283.20557	21.1
301.18420	4.7
301.21603	100.0
301.25073	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	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05496	2.7
57.25372	1.5
65.31712	1.4
67.05513	1.5
68.19207	1.9
69.07062	2.5
72.28072	1.4
72.28754	1.7
74.89264	1.7
81.07030	8.8
83.08598	3.3
91.05444	2.5
93.07014	10.8
95.08597	16.7
98.67712	1.7
105.07015	9.1
107.08608	20.0
109.06504	3.4
109.10164	16.6
111.08050	2.4
119.08566	17.3
121.10103	14.2
123.08012	2.9
123.11668	7.8
129.06993	2.6
131.08511	3.6
133.10091	12.9
135.07997	8.7
135.11646	3.5
137.09550	2.4
145.10088	11.3
147.11676	10.3
149.09572	2.2
149.13116	1.9
155.08540	3.2
157.10117	8.2
159.11627	11.1
161.09659	2.0
161.13208	3.0
163.11195	3.1
163.14781	3.0
164.12524	1.7
171.11661	9.4
173.09598	2.6
173.13206	11.1
175.11143	9.0
175.14786	3.1
177.12733	1.7
183.11580	2.8
185.13206	7.4
187.11125	2.3
189.12717	2.5
191.14259	6.8
197.13199	3.3
199.14772	8.4
201.12769	1.9
201.16275	1.8
203.14418	2.1
209.13220	2.7
211.32796	1.7
213.12701	2.4
213.16493	2.1
215.14235	3.3
217.15756	1.9
223.14799	2.2
225.16399	2.1
227.14182	3.9
239.17853	2.2
241.15657	3.3
241.19482	2.4
243.17299	2.4
245.15254	2.5
249.58145	1.8
255.20979	11.3
265.19452	3.6
273.13708	2.0
283.20575	32.3
301.06964	7.7
301.14444	3.4
301.17941	19.5
301.21506	100.0
323.31656	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	301.2161
Annotation	Dictyterpenoid B
Peak:m/z	Relative Intensity
53.22811	1.6
55.05516	2.0
55.40817	1.7
63.31551	1.8
66.09461	1.6
67.05507	3.3
69.03414	1.7
69.07050	3.6
72.79391	1.6
79.05503	1.8
81.07050	8.6
83.08630	3.9
91.05491	2.8
92.34193	1.9
93.07034	9.3
95.08596	13.2
105.07017	12.0
107.08614	16.8
109.06512	2.3
109.10141	11.8
111.08052	1.9
117.07016	2.0
119.00381	1.7
119.08570	10.7
121.10130	10.9
123.08077	2.7
123.11713	4.2
131.08487	2.6
133.10110	8.6
135.08058	4.2
135.11694	8.6
145.10168	14.0
147.11671	8.5
155.08591	1.8
155.92812	1.8
157.10126	9.3
159.11658	4.4
161.09615	12.4
163.11240	3.2
169.10143	3.1
171.11681	7.9
173.09593	2.9
173.13290	4.6
175.11162	4.1
185.09692	3.9
185.13283	10.3
187.11194	3.8
187.14825	2.5
195.11751	3.3
197.09706	2.8
199.11128	2.2
199.14824	7.1
201.12859	1.9
209.13251	2.8
213.12694	3.3
213.16328	3.5
215.14246	2.8
227.14322	3.5
227.17987	2.8
239.17931	2.0
241.19403	2.6
243.13643	2.1
243.17459	3.0
255.21140	8.0
258.16132	2.6
265.19623	7.3
283.17142	3.4
283.20502	29.3
291.50766	1.8
301.07104	9.8
301.17978	69.3
301.21634	100.0
301.25089	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	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.43664	0.5
55.05512	2.3
57.07067	0.6
57.46548	0.5
59.04993	0.7
66.02167	0.5
67.05489	2.7
69.07053	3.3
69.82851	0.5
71.04958	0.8
71.25615	0.5
72.99824	0.5
79.05486	1.3
79.19856	0.5
79.56654	0.5
81.07054	5.3
83.08593	1.1
87.44722	0.7
91.05482	2.4
93.07034	4.8
95.08585	7.2
98.97566	1.1
101.44313	0.6
105.07038	5.2
106.83715	0.5
107.08575	6.2
109.06563	0.8
109.10131	7.0
111.08044	0.6
117.07000	1.2
119.08567	6.4
121.10126	6.8
123.08082	0.7
123.11682	2.8
129.06947	0.8
131.08556	2.3
133.06465	0.8
133.10115	11.3
135.08040	2.5
135.11661	2.1
137.09550	1.0
137.51501	0.6
143.08566	3.8
145.10092	6.1
147.08073	0.8
147.11673	4.3
149.09575	5.2
151.11072	0.6
155.08615	0.6
157.06416	0.7
157.10072	4.7
158.99641	1.1
159.08018	1.2
159.11639	5.3
161.09601	3.1
161.13274	2.6
163.11212	0.8
169.10118	2.7
171.08055	1.0
171.11658	6.8
173.05937	0.9
173.09622	1.3
173.13240	5.1
175.11182	2.7
175.14810	0.8
183.11681	2.8
185.09592	4.7
185.13194	6.3
187.11133	2.5
187.14854	2.2
189.12723	0.9
192.29698	0.6
195.11610	2.4
197.09625	3.5
197.13249	1.3
199.07492	1.0
199.11150	2.5
199.14771	4.1
201.12859	0.7
201.16455	2.5
203.14218	0.7
209.13268	2.5
211.11331	0.7
211.14853	1.4
213.12822	4.7
213.16342	2.3
215.10620	3.3
215.14334	1.0
215.17953	0.9
223.11185	0.7
225.16359	1.3
227.14267	2.4
227.17905	0.9
239.17921	2.3
241.12141	1.0
241.15921	2.6
241.19475	3.2
243.13770	2.7
245.15370	0.9
255.17465	0.9
255.21088	5.0
257.15372	1.1
258.12378	0.7
258.16159	7.2
259.17023	0.9
265.15897	0.6
265.19510	3.5
271.20724	0.7
273.22226	0.8
283.16974	2.7
283.20554	12.7
301.17953	100.0
301.21591	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.18638	0.9
54.22094	0.8
55.05516	1.1
57.07070	1.6
59.18304	1.1
61.69042	1.0
62.14448	1.0
66.75370	0.9
67.05482	2.6
69.07056	2.4
79.05473	1.9
81.07082	8.0
85.06524	1.1
90.19547	1.1
91.05458	2.3
93.07066	8.0
95.04990	1.3
95.08591	17.8
97.06493	1.6
101.78616	1.0
105.07009	14.4
107.08593	22.4
109.06480	2.6
109.10160	13.2
111.08111	1.2
117.07010	2.1
119.08565	19.9
121.10139	15.1
123.08035	4.4
123.11686	5.6
131.08578	4.4
133.10123	9.3
135.08041	13.7
135.11743	8.0
137.09583	2.1
143.08517	5.4
145.10118	9.8
147.07986	2.0
147.11649	9.2
149.09625	2.3
149.13231	2.2
155.08577	1.6
157.10158	10.4
159.11635	10.8
161.09621	4.0
161.13255	4.8
163.11118	1.6
163.14781	1.3
165.12750	1.3
169.10098	6.0
171.11694	8.7
173.13263	5.3
175.11108	4.5
175.14717	1.1
177.12643	1.5
179.10738	1.3
181.09970	1.6
181.17157	1.1
183.11696	5.5
185.13248	10.2
187.14737	2.3
189.12755	2.2
191.14256	1.2
195.11702	2.6
197.13313	2.6
199.11140	4.3
199.14848	8.6
209.13269	2.1
211.14725	1.5
213.12775	9.9
213.16400	5.0
223.14760	2.7
225.16362	2.3
227.14255	4.5
227.17989	1.7
234.92383	1.1
239.17979	1.2
241.19499	5.9
243.17429	2.0
255.21053	10.7
257.18884	1.2
259.16867	1.5
265.19467	5.1
268.18170	1.4
273.22272	1.8
283.17261	4.0
283.20493	31.5
301.18015	9.0
301.21582	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	301.2161
Annotation	A-Norpregn-3(5)-ene-2,20-dione
Peak:m/z	Relative Intensity
51.79621	0.8
53.35241	0.7
55.68054	0.7
64.55558	0.7
69.03425	3.2
69.07043	1.5
72.37751	0.7
79.05528	0.9
81.07034	3.2
83.08588	0.8
92.18502	1.8
93.07021	3.4
95.08569	5.2
97.10166	1.0
105.07058	6.9
105.07611	0.8
107.08584	3.8
109.06503	10.3
109.10123	3.4
119.08585	2.8
121.06487	4.3
121.10151	7.8
123.08073	7.8
123.11668	1.0
125.09555	0.9
131.08612	0.8
133.10112	1.4
135.08028	1.2
135.11679	4.7
137.09608	1.0
139.11195	1.0
143.08531	1.1
145.10152	1.3
147.11655	1.4
149.09552	1.0
149.13261	0.9
157.10098	3.3
159.11642	5.3
161.09576	3.8
161.13300	0.9
163.11165	1.6
169.09966	0.9
171.11652	1.9
173.09686	1.2
173.13243	1.0
175.11166	13.3
177.12758	3.4
180.29900	0.8
185.13217	1.5
187.11055	1.0
189.12688	1.3
195.11659	1.0
196.10818	0.8
199.14821	3.0
201.16537	0.7
213.12723	5.7
213.16306	1.3
215.14384	1.2
223.14922	0.9
227.14310	1.7
231.13907	0.9
241.15936	6.0
241.19550	1.0
243.17210	1.1
257.19049	2.9
283.20532	13.9
301.21597	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	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.63678	0.4
55.05508	0.8
58.40830	0.3
63.72549	0.3
67.05505	0.5
69.07055	1.3
81.07035	0.4
83.04933	0.4
83.08601	2.4
91.05476	0.4
93.07029	0.7
95.08565	0.9
104.15844	0.4
105.07047	0.6
111.08031	0.4
123.11710	4.2
131.08586	0.4
145.06595	0.4
145.10104	0.4
147.08058	0.8
147.11702	0.5
159.08006	0.6
163.07527	3.9
171.08018	3.5
173.09528	0.5
184.96284	0.4
185.09657	1.7
187.11162	0.6
189.12776	0.5
191.10564	0.4
199.11153	1.7
201.12767	0.5
205.12186	2.4
213.12700	4.6
215.14336	0.9
227.14226	0.7
233.74278	0.4
241.15849	2.0
245.87007	0.3
259.16882	10.7
283.20465	0.6
301.21594	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	301.2161
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
67.05500	4.0
69.07048	9.2
79.05482	7.4
81.07067	11.5
83.04982	2.6
83.08619	2.2
85.06537	2.0
87.97588	1.6
90.82504	1.5
91.05476	3.4
93.07040	14.8
94.18965	1.7
95.08613	16.7
97.06495	6.8
105.07013	13.5
107.08606	17.6
109.06521	4.1
109.10167	11.8
111.08086	2.3
117.06982	2.7
119.08572	22.3
121.06490	3.3
121.10146	11.5
123.08071	3.0
129.07019	2.8
131.08557	11.7
133.10129	21.9
135.08041	3.6
135.11646	3.1
137.06015	1.8
143.08530	15.1
145.10104	18.8
147.08046	7.1
147.11647	13.2
149.09642	3.4
151.07524	3.6
155.08466	5.2
157.10147	13.3
158.99635	1.8
159.08022	2.5
159.11673	14.4
161.05916	1.8
161.09659	4.1
161.13205	2.3
163.07625	2.8
163.11153	2.1
167.08582	2.8
169.10130	8.0
171.08066	3.4
171.11703	12.3
173.09601	6.8
173.13214	6.5
175.07597	4.0
175.11148	4.1
177.09143	3.4
180.09311	2.0
181.10139	3.7
183.11662	10.0
185.09633	2.5
185.13295	11.7
187.11212	2.7
187.14847	2.4
189.09100	2.9
189.12775	7.9
195.11693	9.1
197.09767	2.1
197.13293	9.4
199.11267	2.3
199.14865	6.7
201.09203	2.4
203.10657	1.7
209.13297	10.5
211.14740	4.1
213.12827	4.0
213.16449	2.0
215.10414	1.6
215.14285	2.4
217.15878	2.3
223.11157	8.1
223.14821	6.2
225.12874	6.0
225.16331	6.1
227.14362	8.1
237.16345	7.5
239.14412	1.9
239.17865	2.6
241.12138	2.4
241.15840	6.3
241.19522	2.3
243.17398	3.1
244.03371	1.9
253.19409	2.3
255.06642	1.8
255.13724	2.1
255.21077	8.5
257.15283	13.0
257.19302	1.9
265.15845	3.2
265.19458	6.7
271.20398	2.4
283.16998	17.1
283.20563	28.4
301.03769	3.5
301.07059	25.3
301.10498	4.0
301.14459	5.0
301.17966	87.8
301.21628	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.14848	1.1
53.58586	0.9
55.05492	1.4
57.07053	1.2
65.88715	1.0
66.08893	1.0
67.05494	1.8
69.07053	5.7
79.05466	2.5
81.07047	4.6
83.04984	1.1
83.08633	3.5
84.35480	1.2
91.05460	1.8
93.07032	6.6
93.11613	1.0
95.08597	10.2
97.06538	1.4
105.07016	6.3
107.08585	12.4
107.09236	1.5
109.06529	2.4
109.10152	19.9
111.08099	1.7
117.07014	2.0
119.08580	13.3
121.10143	16.4
123.08054	5.8
123.11691	1.8
131.08542	2.6
133.10159	9.7
135.08081	2.5
135.11664	5.7
137.09627	11.2
143.08554	2.5
145.10115	11.9
147.08020	1.3
147.11668	15.5
149.09587	6.4
149.13248	1.3
151.11139	5.5
157.10097	6.5
159.08003	1.3
159.11617	9.5
161.09570	2.4
161.13264	2.8
163.11116	4.5
167.10788	1.2
168.54982	1.2
169.10019	4.7
171.11700	7.8
173.09642	1.1
173.13240	4.6
175.11134	8.8
175.14755	1.3
177.12701	4.5
183.11649	2.0
185.13223	6.7
187.11102	2.3
187.14801	4.9
189.12697	7.7
195.11685	1.4
197.13164	1.4
199.14775	6.6
201.12726	2.2
209.13287	4.9
211.14838	2.1
213.12743	2.1
213.16559	1.2
215.14288	1.6
215.17896	7.3
223.14848	1.4
225.16409	5.0
227.14293	4.5
229.19525	4.6
231.13660	2.0
239.17947	11.4
241.15851	1.7
241.19487	12.0
245.15471	1.6
253.19458	1.5
255.17465	1.6
255.21051	7.4
257.19012	29.7
265.19467	7.2
283.20551	25.4
301.18506	3.4
301.21585	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	301.2162
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
51.15763	1.1
52.59432	1.1
64.21498	1.1
65.21365	0.9
65.78227	1.1
67.05488	2.1
69.07050	1.5
69.73930	1.2
79.05473	1.5
81.07039	7.5
82.34734	1.1
91.05454	1.6
93.07024	9.0
95.08620	13.6
105.07009	7.6
107.08591	25.5
109.10154	14.4
111.08147	1.3
119.08585	17.7
121.10143	16.6
123.11723	5.8
124.53581	1.2
131.08499	1.5
133.10103	17.5
134.12732	1.2
135.08028	2.6
135.11674	6.5
139.07562	2.0
143.08505	3.0
145.10083	7.5
147.11697	8.1
149.13226	6.0
151.07365	1.2
157.10095	10.9
159.11682	9.2
161.13249	5.6
167.10651	1.6
171.11676	16.1
173.13263	10.2
183.11661	1.9
185.09616	1.4
185.13272	7.4
187.14795	2.9
189.12798	2.8
199.14822	7.4
201.12708	1.8
209.13257	1.7
213.12825	1.7
213.16377	5.9
227.14371	1.5
227.17953	4.9
229.19496	2.3
231.13683	2.2
241.15924	1.6
245.15466	4.7
255.21017	14.4
265.19522	2.0
279.06430	1.6
283.20471	15.4
301.21616	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	301.2162
Annotation	17beta-Hydroxy-2-methylandrost-1,4-dien-3-one
Peak:m/z	Relative Intensity
55.01867	2.5
55.05500	2.3
57.07075	1.9
61.09039	1.8
67.05494	3.1
69.07059	4.3
71.45384	1.6
73.46164	1.7
75.64067	1.9
79.05480	2.6
81.07063	15.5
91.05446	3.7
93.07011	9.7
95.04961	4.6
95.08608	19.5
97.06505	3.4
101.98759	2.2
105.07005	12.3
107.04939	21.7
107.08601	14.6
108.07405	1.8
109.10117	8.5
119.04969	3.5
119.08572	19.7
121.06510	16.9
121.10097	13.4
123.08055	2.9
129.06903	3.1
131.04948	2.5
131.08548	9.8
133.06522	6.3
133.10072	10.7
135.04398	2.0
135.07979	2.1
135.11641	2.5
137.05962	8.0
139.03873	4.0
143.08524	7.5
145.06461	3.1
145.10095	14.1
147.07950	3.0
147.11650	11.5
149.05963	3.6
149.09628	3.5
151.03865	7.1
151.07491	2.8
155.08531	3.1
157.06471	2.4
157.10097	12.3
159.08049	4.8
159.11697	24.8
161.13171	2.4
169.10100	3.1
171.11670	9.3
173.09535	3.2
173.13200	11.1
177.05406	4.1
177.12746	2.9
183.11655	7.4
185.13231	12.3
187.14804	3.9
195.08041	8.9
195.11754	7.0
197.09520	4.5
197.13217	7.6
199.14833	13.6
201.12738	23.0
203.14201	2.2
209.13281	3.0
211.14697	3.1
213.12759	12.0
213.16383	2.8
215.14233	2.3
223.07491	2.6
223.14702	3.3
225.09071	4.4
225.16344	7.8
227.14262	3.4
227.17880	4.0
241.15836	2.9
241.19489	14.1
243.17354	4.8
255.10110	4.3
255.21010	4.6
257.11615	8.1
265.19455	11.5
271.20593	13.5
283.17200	3.3
283.20508	49.8
301.06894	9.5
301.10614	8.3
301.13715	4.4
301.18045	11.4
301.21539	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	301.2162
Annotation	17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one
Peak:m/z	Relative Intensity
55.05495	1.6
58.56057	1.3
60.32896	1.5
62.24224	1.3
67.05466	1.9
69.07067	3.2
79.05495	2.5
81.07053	6.9
83.08590	2.0
91.05475	3.1
93.07053	12.5
95.08604	10.7
97.06528	1.8
99.77566	1.5
105.07026	12.2
107.08592	10.1
109.10144	5.8
119.08582	11.9
121.10104	10.0
123.08006	2.4
131.08572	7.0
133.10175	11.2
135.11702	3.5
137.09602	2.5
139.90715	1.7
143.08586	6.1
145.10115	10.1
147.11682	6.4
149.13243	2.2
155.08553	2.2
157.06476	17.9
157.10153	11.7
159.08063	2.4
159.11688	13.6
161.09492	2.6
161.13248	2.0
163.11179	1.7
169.10092	3.5
171.08011	1.7
171.11662	7.3
173.09598	6.2
173.13280	7.8
175.07568	2.8
175.11151	3.6
183.11681	3.8
185.09612	2.3
185.13275	10.2
187.11157	20.8
187.14769	2.5
189.12682	2.1
197.13205	3.7
199.14816	6.7
201.12842	2.5
201.16447	1.8
203.14337	2.0
209.13289	3.5
211.14908	2.4
213.10852	1.8
213.12714	11.3
213.16406	6.4
215.14259	2.6
215.18015	2.5
217.15848	2.0
223.14847	3.1
225.16347	2.5
227.14314	3.2
229.15868	3.0
231.13760	12.6
237.16412	2.6
239.18105	2.0
241.19537	3.7
243.17381	6.2
255.17264	1.9
255.21123	6.4
257.19003	9.5
265.15979	2.3
265.19501	6.1
273.22174	1.9
283.16956	8.0
283.20581	23.1
301.14529	2.7
301.17996	48.3
301.21628	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	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
55.01870	0.4
56.83633	0.3
57.03434	0.4
61.02921	1.2
69.03411	1.8
73.02898	0.4
81.03412	1.2
85.02907	7.9
87.04406	0.3
91.03963	0.3
91.13200	0.3
96.66875	0.3
97.02898	2.8
99.04442	0.4
102.98819	0.3
122.02388	6.5
127.03910	1.4
140.03424	100.0
145.04964	1.5
165.39952	0.3
262.24564	0.3
268.33023	0.3
302.08817	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19625	1.0
56.87603	1.1
59.70441	1.0
62.79977	1.2
67.05503	14.0
69.03427	10.9
69.07057	3.0
81.03423	2.8
85.02908	37.9
95.04964	47.5
97.02892	35.0
103.03940	3.1
109.02873	10.4
112.07598	31.4
112.38058	1.3
113.05978	2.2
120.27394	1.5
124.07624	1.9
127.03912	7.5
139.03874	1.9
140.04253	1.8
140.07066	100.0
145.04933	1.4
146.13370	1.3
149.92169	1.2
154.08623	11.4
161.47557	1.6
178.08649	3.1
182.08116	60.1
206.08084	14.5
236.09081	2.6
248.09128	5.9
266.10089	1.9
274.94131	1.3
286.21997	1.3
302.07120	2.4
302.12637	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	302.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50158	0.4
57.07081	5.6
64.75838	0.4
66.49684	0.4
70.06593	7.6
71.08614	3.2
76.45564	0.4
85.10172	2.0
88.07629	18.6
102.09202	4.6
106.08665	12.0
188.18489	0.5
240.26797	1.7
258.27866	0.8
284.29480	10.3
287.28809	0.5
302.30515	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	302.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97750	0.4
55.15779	0.4
56.88509	0.4
57.07080	5.1
59.20166	0.5
61.07023	0.4
70.06603	5.9
71.08608	2.8
72.33894	0.4
84.52408	0.4
85.10175	2.1
88.07625	15.7
92.18484	0.5
102.09184	4.4
106.08669	12.6
258.27844	1.9
284.29486	8.3
302.30508	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	302.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75791	0.3
57.06835	0.3
57.07073	4.2
70.06592	7.3
71.08614	2.7
85.10166	1.0
88.07629	15.0
102.09192	3.9
106.08668	11.9
109.28918	0.4
151.43752	0.4
164.92474	0.5
201.06563	0.5
238.94073	0.5
258.27924	0.8
284.29431	9.8
302.30521	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	302.3054
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.05344	0.4
52.06730	0.3
57.07077	5.4
59.86061	0.4
63.30401	0.4
69.39728	0.4
70.06587	7.4
71.08607	2.2
74.90915	0.3
85.10154	1.7
88.07626	18.5
90.81451	0.4
94.79565	0.4
102.09165	5.6
106.08669	11.5
115.18425	0.4
118.15160	0.4
185.21834	0.4
258.27814	1.0
263.02969	0.4
284.29449	10.6
292.89655	0.4
302.30511	100.0
320.36002	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	303.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63620	2.1
56.96563	10.8
71.04992	20.1
92.18646	2.0
96.95778	11.9
98.06059	24.9
98.97583	61.0
99.04455	26.5
99.97926	3.9
102.96857	11.7
104.10738	10.6
110.05994	2.3
116.07084	22.7
116.98619	24.4
119.01899	3.0
120.96985	2.1
120.97900	4.4
134.99646	9.0
138.96794	50.4
145.99619	2.3
156.97847	3.7
158.99634	4.2
161.01256	2.7
161.04115	3.6
170.99628	4.0
174.97604	8.4
175.05658	5.2
176.07050	5.4
177.00656	2.5
179.02266	5.0
180.97833	53.5
181.05548	2.7
182.99303	2.5
188.09233	10.7
190.08635	2.1
192.98650	10.0
194.99402	14.3
198.97667	14.7
201.00522	15.9
205.06712	19.0
206.02890	2.6
212.99008	19.3
216.96652	2.8
216.98671	53.6
218.08046	3.5
219.01851	3.6
221.03340	10.9
223.07722	9.6
223.48109	2.4
231.00214	30.2
234.99747	13.4
235.10870	2.6
238.10651	2.1
239.04309	15.3
243.00273	17.7
243.01808	9.8
243.03748	3.8
249.01259	4.6
250.10718	4.2
255.00267	8.7
258.99762	4.5
261.01349	25.1
262.03113	2.8
273.01315	12.9
279.97247	3.2
280.00870	2.9
285.04706	7.3
285.14429	3.3
297.98300	5.2
302.93701	9.7
303.03586	100.0
303.07687	5.7
303.15451	73.1
321.03482	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.07144	0.5
51.71022	0.6
55.66811	0.7
61.88154	0.5
63.77157	0.6
67.05479	0.7
69.03421	0.6
69.07047	0.7
70.90965	0.6
81.07069	0.8
93.07029	1.0
105.07020	1.2
107.08626	1.0
111.00761	0.8
119.08609	0.7
121.02821	1.2
121.06439	0.9
123.04301	0.9
134.07254	3.7
137.02313	3.6
137.05975	3.3
138.75299	0.7
139.03883	3.7
147.04494	1.2
149.05905	1.1
151.03893	0.8
153.01797	3.6
161.05908	0.8
163.03886	1.4
165.01823	3.9
201.05482	1.2
229.05022	5.2
247.05734	0.9
257.04428	25.7
259.05969	4.7
267.13602	1.0
285.04010	5.2
285.11197	3.4
303.04999	100.0
303.08469	5.5
303.11832	7.6
303.15851	1.5
303.19458	3.6
303.22928	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.67947	0.4
55.48207	0.5
59.48131	0.5
63.92165	0.4
68.99794	0.6
81.07053	0.8
93.03397	0.8
93.07053	0.6
93.84462	0.5
94.76144	0.5
95.08576	2.2
98.73051	0.5
100.25497	0.6
105.06998	0.7
107.04960	0.6
109.06467	0.6
109.10152	0.6
111.00790	0.6
111.04405	0.9
111.70801	0.5
114.28342	0.6
119.08553	0.8
121.02867	2.1
123.04411	2.3
123.11715	0.6
133.10194	0.6
135.04407	4.8
135.11749	0.6
137.02345	6.0
137.05984	2.4
139.03870	3.1
145.10190	0.8
149.09616	0.5
151.03900	0.8
153.01857	2.2
153.05496	0.8
153.53334	0.7
155.08553	0.7
160.79675	0.6
160.91776	0.5
161.09558	0.6
162.12749	0.5
163.03876	1.3
165.01805	2.9
165.05424	1.0
173.09732	0.7
183.02834	1.1
183.11702	0.7
187.03897	0.7
187.07536	0.5
189.40154	0.5
191.10652	0.7
201.12753	0.6
211.14839	0.8
229.04912	4.7
235.96227	0.6
239.18117	0.6
245.07922	0.6
247.06081	0.9
257.04425	16.0
267.17441	1.0
271.02393	1.1
274.04764	0.6
275.20117	0.5
285.03925	4.1
285.07227	1.1
285.18484	2.9
303.04993	100.0
303.08411	5.5
303.19662	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	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11206	0.3
72.12482	0.3
111.00806	1.1
116.41267	0.4
121.02848	1.4
125.47218	0.3
137.02318	2.9
153.01851	3.9
163.03905	0.3
165.01819	2.9
183.02875	1.5
183.04436	0.4
201.05429	1.6
213.72859	0.3
229.04951	3.9
238.54308	0.3
247.05989	1.4
257.04453	4.4
266.22614	0.3
274.04761	0.6
275.05667	0.4
285.03879	2.6
303.04984	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	303.0498
Annotation	Delphinidin
Peak:m/z	Relative Intensity
50.11282	0.3
53.97706	0.3
54.78370	0.3
55.26336	0.3
56.28811	0.3
60.21518	0.3
80.97084	0.3
81.07036	0.4
93.07029	0.8
107.08611	0.6
108.31737	0.3
111.00745	0.6
115.02221	0.3
119.08545	0.5
120.38557	0.3
121.02861	0.8
121.10107	0.4
123.04387	0.4
123.08010	0.5
133.10088	0.6
137.02335	3.1
147.11642	0.4
149.02333	0.5
153.01833	3.3
156.52257	0.3
163.03802	0.4
165.01747	2.4
176.03745	0.4
183.02879	0.7
196.05128	0.4
201.05315	1.1
212.57867	0.4
229.04971	3.9
247.06081	0.7
248.10858	0.3
257.04437	4.0
272.09583	0.4
274.04718	0.7
275.05545	0.6
285.03885	1.6
285.21921	0.5
303.04968	100.0
303.23105	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35188	0.4
66.64368	0.3
68.99774	0.3
80.08999	0.4
81.07046	0.9
93.07037	0.8
95.05001	0.4
95.08578	2.3
101.42382	0.4
105.07022	2.6
107.08597	1.7
109.02917	0.4
109.10149	1.7
111.00793	0.9
118.27526	0.4
119.08620	2.7
121.02859	0.8
121.10131	2.8
123.04419	1.6
125.09571	0.5
133.10130	1.6
135.04416	1.8
135.11696	0.9
137.02338	4.0
137.05956	1.6
139.03874	0.8
141.05399	0.5
145.10086	1.5
147.11656	1.8
149.02328	0.7
151.03918	1.8
153.01808	4.2
157.10173	1.3
159.11633	3.1
161.13239	0.7
163.03894	0.7
165.01801	3.1
171.11711	1.6
173.09581	1.5
173.13239	1.6
175.14879	0.5
183.02838	0.8
185.13263	0.5
191.10744	0.7
197.13304	0.5
199.14864	0.4
201.05449	1.6
205.05057	0.7
211.14789	0.6
219.06396	0.6
227.18002	0.6
229.04944	6.3
241.19547	0.4
247.06004	1.5
257.04462	4.0
274.04730	1.6
285.03900	2.1
285.07269	0.4
285.18625	0.8
285.22055	3.0
303.04984	100.0
303.19443	4.6
303.23129	8.1
310.22507	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01856	0.4
58.24425	0.3
67.05476	0.3
69.03431	0.5
79.05484	0.4
81.03445	0.5
85.02905	0.8
85.06531	0.4
93.03439	0.3
93.07070	0.3
95.04952	1.3
95.08643	0.4
97.02887	0.6
109.02866	0.7
111.00761	0.7
113.05975	0.4
113.07922	0.4
121.02896	1.3
121.10133	0.4
122.69780	0.3
123.04427	6.8
127.03892	0.8
135.04436	0.5
137.02371	4.1
137.06017	2.7
139.03893	3.7
140.07137	0.4
141.05501	0.6
141.07439	0.6
147.04407	3.5
149.02344	0.6
151.03903	13.4
153.01805	3.7
156.37834	0.3
159.06627	0.4
161.06061	0.4
163.03914	1.7
165.01848	3.3
165.05492	1.7
173.06024	0.5
180.07773	2.1
181.03209	0.5
181.04944	0.6
181.08099	4.6
182.03529	0.3
183.02892	1.5
183.08334	0.5
191.03336	0.5
191.86089	0.3
193.05009	0.5
195.02892	0.5
201.05507	1.4
207.06558	1.3
220.09592	0.3
229.04970	4.7
241.13612	0.4
243.06552	0.4
247.06079	0.6
255.46227	0.3
257.04349	3.9
274.04733	0.7
275.05493	0.4
285.03897	1.3
285.07553	0.6
285.12357	0.4
286.08313	0.7
303.05023	100.0
303.08603	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	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25876	4.8
67.58852	4.5
85.02905	11.5
97.02834	5.9
98.97594	6.9
122.02430	5.1
140.03424	100.0
141.03787	75.4
141.05443	6.9
151.03906	8.4
153.01898	5.4
200.87151	4.7
222.03436	58.6
239.03716	41.2
285.04254	8.0
303.05063	36.0
303.08075	43.3
303.10574	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.31538	0.5
51.93997	0.5
55.01859	1.4
58.77695	0.5
68.99763	0.8
81.03400	0.8
88.75968	0.6
91.05454	0.6
95.04939	1.4
96.96371	0.6
97.02919	0.8
99.04446	0.8
106.37991	0.7
109.02875	2.6
119.04926	6.1
121.02795	0.8
123.04420	43.9
123.05320	1.5
127.03858	0.8
135.04419	5.8
137.05931	1.0
139.03903	14.7
141.05440	0.7
143.04855	0.7
147.04404	25.8
150.62097	0.6
151.03896	100.0
153.05482	4.6
161.05943	3.1
163.03868	8.3
165.05452	14.3
173.05972	5.8
179.06998	3.2
181.04930	7.9
189.05544	0.8
193.04936	7.7
197.06010	0.8
207.06476	7.0
215.06964	1.3
217.08505	1.3
243.06435	1.4
285.07529	3.9
303.05420	2.2
303.08582	65.8
303.13547	5.2
319.99985	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	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.63021	0.5
53.41265	0.6
55.01862	3.0
67.00471	0.6
68.99790	0.9
79.05511	0.7
81.03409	1.1
81.07069	0.9
85.02920	1.5
90.40159	0.6
92.17852	1.0
95.04968	0.9
97.02879	0.8
109.02896	4.7
111.00791	6.1
111.04376	2.2
113.06021	0.7
119.04906	5.1
121.02889	0.9
123.04422	50.0
127.03899	1.5
135.04463	4.7
137.02362	0.7
137.05939	2.9
139.03911	19.3
141.05447	3.6
143.04881	1.0
147.04405	33.9
151.03903	100.0
153.05446	5.6
161.05923	4.2
163.03882	8.6
165.05458	14.6
170.03551	0.9
173.05939	4.7
175.03894	1.6
177.05568	0.7
179.06967	3.5
180.02798	0.8
181.04950	9.6
191.03322	1.1
193.04964	10.0
197.05945	1.3
199.07530	0.9
207.06528	10.5
215.06900	2.7
217.08632	1.1
219.02878	11.4
237.20738	0.7
239.07120	0.7
245.22858	0.7
285.04639	0.7
285.07526	5.3
285.12189	0.8
303.04999	10.5
303.08557	74.1
303.14127	4.2
308.29941	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	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.44339	0.7
51.59773	0.6
55.01872	3.0
59.30410	0.8
62.30972	0.8
79.41581	0.9
80.53458	0.8
85.06543	0.9
91.05455	1.0
95.04958	1.1
109.02866	3.5
110.91698	0.8
119.04933	4.9
121.02863	1.0
123.04425	46.6
123.05322	1.8
127.03931	1.4
135.04395	5.3
137.02325	1.4
137.05968	1.7
139.03909	18.0
139.04912	1.5
141.05499	1.1
147.03276	1.3
147.04407	27.6
148.35149	0.8
151.03905	100.0
153.05501	1.4
161.05952	4.5
163.03917	6.7
163.65082	0.8
165.05463	13.3
173.06032	5.6
175.03938	1.3
179.03462	1.0
179.07050	1.9
179.27646	0.8
181.04985	7.3
184.24872	0.8
193.05087	6.0
207.06500	8.4
215.06995	1.2
217.08623	1.0
229.04921	1.6
257.08368	1.0
280.17163	1.0
285.07593	5.0
303.04990	26.9
303.08640	62.2
303.13635	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	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	8.3
71.06920	1.8
74.37909	0.7
77.36401	0.7
86.09701	0.8
109.02865	0.8
112.07588	7.7
113.07922	7.8
123.04443	0.9
141.05316	4.9
141.07353	0.9
141.85750	0.7
151.03908	1.4
158.08112	1.0
159.08482	1.5
185.04204	0.8
201.06079	1.6
220.22021	0.8
266.39542	0.8
303.04892	3.1
303.10507	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	303.1075
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
55.01881	1.4
57.03441	1.4
57.10256	0.7
59.03204	0.7
61.02911	3.5
68.99784	1.2
69.03424	5.4
71.04993	1.1
72.69910	0.8
73.02936	0.9
74.00282	0.9
77.66045	0.8
81.03435	4.7
85.02911	38.1
91.03962	1.0
91.05550	0.8
97.02917	7.8
99.04442	4.3
109.02873	4.4
117.74895	0.8
119.04919	1.9
123.04427	25.8
125.97695	0.8
127.03928	8.3
135.04449	2.0
137.06004	6.4
139.03897	11.7
141.05470	100.0
145.04988	5.8
145.48660	0.8
147.04407	17.3
151.03903	52.8
151.07558	1.0
153.05472	16.8
161.02081	0.9
161.05984	2.0
163.03902	3.8
165.05482	15.5
171.09805	1.0
173.05951	1.7
175.03929	1.0
177.05479	5.4
179.07054	3.7
181.04945	4.2
183.06516	6.9
189.05493	1.3
193.04948	3.5
200.95531	0.8
207.06537	7.7
214.56674	0.9
219.06569	1.0
231.06512	1.0
237.07576	0.9
249.07623	1.9
250.33270	0.9
267.08795	1.5
285.07355	1.2
303.05121	3.5
303.08453	36.6
303.14035	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	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	1.8
64.85242	1.6
69.07047	1.8
74.38998	1.4
74.60874	1.3
79.05485	2.2
81.07039	6.4
83.08598	1.9
91.05487	2.3
92.17773	2.5
93.07022	7.6
95.08594	7.7
95.87146	1.9
103.05431	3.0
105.07066	2.9
107.04981	2.9
107.08598	9.1
109.02876	8.5
109.10145	9.3
115.05437	1.7
119.08562	7.6
121.10162	9.4
123.04407	7.6
123.08103	1.9
123.11700	7.7
131.04907	16.0
131.08569	6.9
133.10132	7.5
135.04399	14.7
135.08096	2.1
137.02348	9.8
137.05966	2.1
139.03903	3.3
141.05446	3.0
143.08554	6.5
145.10104	8.2
147.08032	2.0
147.11661	6.6
149.09601	6.5
149.13261	2.5
151.03923	3.1
151.11168	3.4
155.08456	1.9
157.06451	2.1
157.10107	3.1
159.04416	33.2
159.11681	6.8
161.13242	3.1
163.03891	3.8
163.07529	32.9
165.05499	2.5
171.11682	3.4
172.94110	1.7
173.09628	6.9
176.04684	6.4
177.05531	1.6
177.12625	1.8
185.13287	2.9
187.07587	3.1
187.14763	2.1
191.07025	72.4
191.10609	3.2
193.08621	3.0
197.13200	2.9
199.14767	2.7
201.09164	2.3
201.16257	2.0
205.04758	1.8
211.14937	2.1
215.07083	8.7
215.14392	1.8
219.06520	100.0
233.11722	2.7
236.33241	1.6
243.13612	2.1
257.11703	2.1
257.18881	2.2
261.07574	94.5
261.11188	22.2
267.17419	2.8
267.20798	2.5
285.04077	3.4
285.18634	11.7
285.21713	11.0
303.05200	2.6
303.08780	6.0
303.12259	74.3
303.15677	5.8
303.19476	46.8
303.23163	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	303.1225
Annotation	Isonotholaenic acid
Peak:m/z	Relative Intensity
62.38174	1.4
65.89271	1.5
74.62844	1.5
78.99551	1.7
81.32503	1.6
92.17843	6.3
93.07035	1.9
107.08567	2.3
111.04432	1.8
111.17377	1.7
119.28255	1.7
123.04389	2.4
133.10130	2.3
137.05928	2.1
139.03909	2.3
149.05956	2.4
151.03905	6.0
153.01930	1.7
153.05438	2.0
154.06386	1.8
157.10089	2.0
165.06938	9.2
166.07751	2.2
167.08484	8.3
169.10107	2.0
179.08572	2.6
181.06479	2.8
182.07225	9.0
185.57994	1.6
191.08479	2.0
193.06491	9.0
195.08018	11.7
197.09636	21.3
201.05490	1.9
201.09195	2.1
207.08023	2.9
210.06778	15.3
211.07436	3.1
213.09122	2.1
214.09735	1.9
215.03279	2.5
221.05922	9.0
223.07541	3.3
224.08333	9.9
224.86148	1.8
225.09053	45.2
226.10022	2.1
227.07108	12.8
229.04869	6.6
235.07463	3.1
238.06187	13.5
241.08499	7.9
242.09343	12.2
243.02887	15.3
252.07787	6.5
253.08545	40.2
255.06471	9.3
257.04428	39.8
257.11853	5.4
267.09991	7.0
270.08755	24.3
271.09631	2.7
285.04068	19.0
285.07999	2.8
285.11200	78.6
285.18536	3.0
303.05020	49.5
303.08652	6.5
303.12192	100.0
303.19452	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	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05511	0.4
63.89229	0.4
67.05484	0.6
71.06918	0.5
79.05461	0.6
81.07034	2.5
81.07475	0.4
82.06568	0.5
83.08607	0.7
84.08106	0.5
85.06503	0.5
93.07008	1.0
94.06543	2.9
95.08598	2.2
98.97538	0.8
105.07003	0.7
106.06522	2.2
107.08582	1.0
108.04481	3.7
109.10124	2.2
113.05987	0.5
119.08554	0.9
121.02901	0.6
121.10146	1.8
122.05991	1.8
123.04412	1.8
131.08498	0.6
133.06445	0.5
133.10143	1.1
134.06001	2.9
135.11676	0.5
137.02255	1.9
137.05965	1.0
138.05467	1.8
139.03796	0.5
144.10191	0.8
147.04369	0.5
147.11684	1.0
148.07483	0.5
151.03908	4.2
153.01826	1.0
159.07947	0.4
159.11652	0.8
161.05817	0.6
161.07086	12.7
161.13185	0.6
162.05437	0.6
165.01768	1.0
171.11665	0.6
173.09492	0.5
175.14690	0.6
175.82089	0.6
176.07051	1.9
183.02988	0.5
185.10707	0.6
185.13176	0.6
187.08621	2.8
191.59454	0.5
192.37418	0.5
194.08136	1.0
198.09114	0.9
199.68024	0.4
201.10228	11.0
202.10936	0.5
203.11774	0.5
212.10681	0.9
213.10216	0.6
215.08133	1.9
215.11797	6.1
219.11179	0.5
226.10982	0.7
229.04938	2.5
229.09692	8.6
229.13300	3.6
231.11308	0.6
239.11766	2.3
241.13322	0.9
242.10509	0.7
243.11259	7.3
247.06006	0.8
247.10861	1.8
247.14388	3.3
257.04385	2.0
257.12836	13.4
261.12247	1.7
267.11334	4.0
267.21069	0.6
275.13876	13.7
285.04095	1.0
285.12317	12.2
285.18945	0.5
285.22018	3.1
303.05020	43.0
303.13354	100.0
303.19263	4.7
303.22665	8.1
321.81662	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	303.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46423	0.7
63.95508	0.7
67.05489	1.3
70.06591	1.1
71.04981	1.2
81.07040	1.8
85.06557	1.1
87.39429	0.8
93.23869	1.0
95.08603	1.7
105.07066	0.8
112.07552	1.0
121.10128	1.6
123.04407	4.8
137.05966	3.8
139.03902	3.5
147.04411	1.5
151.03918	9.0
153.01805	4.8
165.01884	1.8
171.11612	0.7
191.03275	1.2
200.49138	0.7
229.05031	1.4
257.04443	3.2
280.80908	0.7
303.05002	90.6
303.08395	5.6
303.14136	100.0
303.19650	4.6
303.23022	2.7
318.99841	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	303.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17343	0.3
55.01865	1.6
55.05510	0.8
56.05015	0.6
56.96800	0.4
58.47347	0.3
65.79691	0.3
68.53777	0.4
69.16643	0.4
70.06575	2.3
71.04993	33.8
76.58346	0.4
76.70358	0.3
80.98013	0.4
82.06544	0.5
88.07579	0.4
91.37546	0.4
94.06573	0.6
95.04904	0.7
97.02868	0.4
97.91057	0.4
98.06052	39.5
98.97588	0.9
99.04453	39.9
109.06499	0.7
110.06056	1.6
111.04408	0.6
112.07527	0.5
114.05501	1.0
115.08691	0.9
116.07087	27.3
122.04937	0.4
124.07595	0.7
125.05947	0.8
135.04408	0.7
138.05493	4.0
140.07083	4.1
142.08607	3.7
147.72342	0.5
148.07599	0.4
152.07051	4.5
153.05435	0.5
154.08630	1.5
157.09689	0.9
162.09224	0.6
163.50244	0.4
164.07008	0.7
166.08612	0.8
170.08089	2.0
176.07053	11.5
178.08614	3.8
180.10176	0.6
180.60822	0.4
186.11243	0.6
187.08302	0.7
188.09157	12.5
190.08609	4.6
192.10229	0.9
194.08223	1.3
200.07053	0.6
203.13876	0.9
206.08156	0.8
208.09729	0.8
210.11186	0.6
212.09288	0.5
218.08115	9.3
220.09677	1.9
232.09778	0.5
235.08415	1.4
235.10678	9.6
236.09088	1.8
238.10759	4.9
250.10725	8.5
257.14795	0.6
267.13177	0.5
268.11795	0.8
285.14575	4.0
286.12503	0.5
303.15485	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	303.1589
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
55.05502	1.3
67.05492	1.3
69.07050	0.9
71.04973	1.3
73.39796	0.6
76.03027	0.7
79.05472	1.0
81.07059	7.8
85.06525	1.1
91.05470	1.1
93.07021	3.2
95.08591	4.6
99.08083	23.8
105.07034	3.7
107.04938	1.6
107.08560	2.9
109.06507	2.7
109.10149	4.6
119.08558	5.2
121.02783	0.9
121.10126	3.0
123.04395	3.0
123.08073	0.8
123.11629	0.8
127.07547	19.8
131.08542	2.9
133.10083	3.6
135.04396	3.1
135.08008	2.6
135.11684	2.5
137.02324	1.4
137.05965	4.6
139.03886	1.0
141.05444	2.5
143.08521	1.1
145.10110	3.3
147.11674	3.2
149.09604	1.6
149.13274	0.7
151.03900	3.7
153.05330	0.6
157.10110	2.6
159.08003	0.8
159.11682	3.9
161.13254	1.1
163.03880	2.7
164.22069	0.7
165.05449	2.4
169.10129	1.0
171.11685	2.7
173.09618	0.8
173.13167	2.1
175.14847	1.1
177.09094	0.9
178.48315	0.7
185.09598	0.8
185.13257	1.3
187.11186	1.4
187.14807	1.1
189.09065	1.3
197.09686	0.9
197.13277	1.4
199.14807	0.8
201.05449	0.8
205.04970	3.0
211.02196	0.6
215.07016	2.5
215.10710	0.7
215.14255	0.6
219.09991	0.8
225.16249	1.0
227.17819	1.0
229.04828	1.4
241.19450	0.9
243.13727	0.8
257.04410	1.3
257.15271	0.8
267.21161	1.0
270.16043	0.8
271.05743	0.7
285.07446	0.8
285.14877	3.0
285.18304	0.7
285.22003	4.5
298.62488	0.7
303.04965	48.4
303.08560	9.2
303.15881	100.0
303.19055	3.7
303.22980	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	303.1807
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.26822	1.1
51.79375	1.1
51.89086	1.2
64.89471	1.2
76.77185	1.2
95.08634	1.8
121.01434	1.3
131.08502	1.3
137.00877	2.8
153.00356	22.5
155.01888	18.8
171.01387	100.0
194.02966	1.3
221.10342	11.2
237.09740	20.6
285.22028	1.2
303.04840	2.0
303.18015	35.2
303.23093	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	303.1953
Annotation	Epimestrol
Peak:m/z	Relative Intensity
62.33734	0.8
64.81438	0.7
67.05492	1.4
79.05477	0.9
81.07053	4.9
84.77695	0.9
86.43459	0.8
91.05476	1.5
93.07043	4.5
95.05025	0.9
95.08608	4.3
105.07038	4.7
107.04967	1.1
107.08604	5.4
109.06507	1.3
109.10169	3.5
117.06961	1.0
119.08570	4.1
121.06508	4.3
121.10144	1.4
123.04428	1.4
129.06989	0.8
131.08551	6.5
133.10152	5.5
135.04419	4.0
135.08080	1.7
135.11676	1.5
137.05957	2.0
139.03972	0.8
139.07610	1.0
141.05437	5.0
141.74529	0.8
143.08586	5.2
145.10123	8.6
147.08041	4.5
147.11711	5.8
149.06067	0.9
155.08522	1.6
157.10104	1.7
159.11702	3.4
161.09586	1.5
161.13203	1.7
163.03886	1.0
163.11140	1.4
165.05374	0.9
171.08058	1.0
171.11754	1.2
173.09592	19.7
175.11153	1.6
183.11705	4.0
185.13319	1.2
189.09116	1.9
191.10649	11.8
193.10023	1.3
197.13313	4.3
199.14842	3.5
205.04955	0.9
207.11734	1.3
209.11760	5.8
211.11206	1.9
211.14867	4.5
213.12903	1.0
213.16386	1.0
225.16406	1.3
225.29198	0.9
227.14310	3.3
234.14159	1.2
237.16402	1.0
239.17989	5.5
245.08203	1.1
249.16412	4.2
267.17416	13.7
273.22470	0.9
275.09286	0.8
285.18466	38.1
285.21686	1.6
303.05267	1.7
303.08664	5.6
303.19537	100.0
303.23163	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	303.2318
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
52.02417	3.6
55.05528	4.8
64.71809	3.9
67.05502	4.8
69.07053	4.6
81.07063	20.2
81.83243	4.0
93.07028	21.4
95.08588	23.9
104.99902	4.1
105.07030	10.7
107.08588	28.0
109.10172	30.7
119.08585	23.7
121.10126	21.8
123.04428	6.0
123.08086	6.0
123.11691	17.1
125.09570	4.7
131.08559	6.3
133.10092	18.3
135.11710	20.1
137.09595	7.9
143.08626	9.1
145.10124	8.5
147.11678	46.6
149.13330	7.3
151.03859	9.0
151.11182	24.1
157.10081	7.0
159.11647	35.1
161.13280	21.8
165.12781	5.3
173.13257	8.5
175.11148	15.8
177.12733	10.4
185.13277	5.7
187.14871	9.8
197.13176	5.0
239.17770	5.2
243.17339	4.8
267.21042	27.7
285.22107	79.7
303.08667	9.9
303.19345	21.2
303.23148	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	303.2316
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
55.05513	4.4
59.11297	1.9
59.72500	2.6
63.66603	2.2
66.64360	2.1
67.05499	4.8
67.39302	2.2
69.07068	5.6
72.65071	2.7
81.07055	17.4
91.05482	5.0
93.07049	12.9
95.04934	3.2
95.08612	19.3
105.07024	11.8
107.08582	29.4
109.09466	3.1
109.10150	63.2
113.09634	3.7
114.97796	2.4
119.08571	22.4
121.06535	2.7
121.10146	29.1
123.11662	4.7
125.09603	2.9
126.06181	2.6
131.08534	4.8
133.10138	26.2
135.11667	13.3
137.09561	5.7
145.10138	21.9
147.11703	30.7
149.09702	3.2
149.13257	4.1
157.10185	5.5
159.11682	30.9
161.13269	12.1
163.11180	4.9
163.14751	2.6
169.10077	2.9
171.11639	3.7
173.13200	14.8
175.11162	29.9
175.14774	3.4
177.12718	11.6
183.11778	3.4
185.13286	5.6
187.14799	5.9
197.13252	10.4
199.14792	6.1
201.16331	9.4
211.14836	13.4
213.16443	3.3
215.14270	2.9
227.17947	3.0
243.21143	4.9
257.22498	3.9
267.21082	35.6
285.22089	100.0
303.08701	3.9
303.19653	5.6
303.23135	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.65443	1.3
55.05534	1.2
57.13969	1.1
63.81800	1.1
64.22453	1.2
67.05492	3.1
69.07088	4.0
79.05462	1.8
81.07053	6.4
91.05473	2.4
93.07030	10.6
95.08598	13.0
105.07008	8.4
107.08572	8.6
109.10149	10.0
110.85650	1.3
117.07005	2.1
119.08588	15.7
121.10123	11.0
122.98469	1.2
123.11671	5.8
131.08546	2.7
133.10162	9.0
135.08061	1.5
135.11664	8.5
143.08571	3.0
145.06418	1.3
145.10114	47.7
147.08018	2.6
147.11629	9.3
149.08467	2.2
149.09608	42.8
149.13148	2.0
151.11162	5.0
157.10165	1.6
159.11696	6.6
161.13269	2.7
163.11209	10.0
171.11687	2.3
173.13223	2.1
175.11163	7.1
183.11710	1.5
185.13196	2.0
187.14705	1.8
189.12743	2.4
189.16357	7.0
197.13232	2.4
199.14989	1.5
201.16292	1.5
211.14711	3.0
225.16322	1.6
255.21083	4.9
257.22662	3.2
267.20868	9.0
273.22208	2.7
283.99115	1.3
285.22195	11.5
303.23166	100.0
303.30560	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	303.2318
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
50.86779	1.5
54.31264	1.4
55.05507	4.1
55.53042	1.3
57.92119	1.6
58.11220	1.4
64.52060	1.8
65.44614	1.6
67.05505	14.8
67.42922	1.8
69.07045	4.4
74.79640	1.6
78.73511	1.9
79.05498	15.9
81.07049	26.7
82.08435	1.5
83.08613	4.0
83.21510	1.9
85.85695	1.9
91.05478	12.3
93.07045	20.1
95.04809	2.5
95.08607	26.1
97.10144	6.9
105.07008	11.1
106.79280	1.7
107.08591	16.3
109.10145	13.6
117.06983	2.2
119.08559	19.0
121.10149	34.1
123.11756	2.8
131.08554	3.5
133.10114	23.7
135.11676	19.7
138.05949	1.8
145.10112	11.0
147.11684	27.5
149.09651	6.3
149.13237	7.9
159.11661	4.2
161.13249	15.4
163.11165	3.2
163.83974	1.9
173.13257	4.2
175.14832	12.2
177.12625	2.2
185.13185	3.6
189.12688	3.9
189.16345	2.7
193.12218	2.7
195.13763	2.7
203.14307	2.6
207.13855	14.1
219.13753	3.2
221.15332	14.3
243.21017	2.9
267.21127	3.2
285.22144	3.1
303.19675	3.4
303.23163	100.0
324.08231	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	303.2318
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.38675	1.7
56.12968	2.0
60.95440	2.2
62.54423	2.1
67.05493	14.1
69.07069	3.1
71.04991	2.2
71.08627	20.1
79.05488	8.8
81.07068	15.6
91.05467	10.8
93.07030	10.7
95.08603	11.3
97.06527	2.9
99.08068	9.6
105.07008	20.2
107.08570	2.5
109.10173	4.7
111.65430	2.0
117.06993	4.6
119.08571	18.4
121.10158	4.1
129.07011	3.6
131.08572	14.6
133.10103	16.3
135.11670	3.8
143.08533	3.5
145.10129	22.3
147.08005	4.3
147.11754	5.0
149.09567	3.3
155.08551	3.2
159.11678	10.6
161.13292	7.4
169.10147	4.6
171.11699	38.4
173.09593	3.5
173.13309	3.5
177.12762	2.3
179.40416	2.1
183.11719	4.3
185.13309	3.5
187.14720	4.2
189.12698	14.9
197.13329	4.2
201.12724	3.9
203.17999	3.1
205.15971	2.4
215.14243	3.4
239.09653	2.5
243.21072	4.5
257.22678	2.9
267.21094	11.1
285.22064	27.7
285.95200	2.2
303.04953	28.6
303.19672	3.4
303.23178	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	303.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.2
58.06601	1.1
70.06586	1.8
72.08115	0.7
72.31316	0.7
82.99810	0.8
86.06106	1.0
101.00888	3.0
102.05565	1.6
105.58488	0.7
109.02911	0.9
114.05526	16.4
119.01910	6.5
124.07592	0.9
127.62246	0.7
129.06633	0.9
131.01950	1.1
139.02441	0.8
141.10226	3.6
142.03496	1.8
142.06935	0.9
142.08670	3.2
143.01901	12.8
145.03465	3.4
157.03445	9.3
157.09714	1.2
161.02939	25.3
167.01859	1.8
168.11354	1.6
173.02887	1.2
175.04521	4.0
185.03014	7.4
185.09207	34.9
186.03145	0.8
186.07622	1.1
187.04417	0.9
191.04044	1.6
203.04019	10.8
203.10439	1.2
206.05101	1.8
221.05083	7.9
239.06143	4.3
242.04965	0.9
245.05060	3.5
247.05969	0.9
256.97638	5.6
257.97595	5.5
262.03357	1.0
263.06104	100.0
281.07147	37.5
286.13986	17.5
298.98618	1.8
304.01843	1.1
304.04831	0.9
304.14969	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	304.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12395	0.2
68.99782	0.3
96.81525	0.2
111.00757	0.5
111.47424	0.3
112.01109	0.4
121.02829	1.0
122.03182	0.3
137.02315	2.1
138.02654	1.9
142.39626	0.3
153.01865	2.5
154.02129	1.8
165.01810	1.5
166.02220	1.8
167.02913	0.3
183.02861	0.4
184.03249	0.5
196.03229	0.3
202.05795	1.3
220.06886	0.3
229.04900	1.1
230.05302	5.4
240.11363	0.6
248.06331	1.8
256.10757	1.7
258.04785	4.1
268.10739	0.5
275.05069	1.2
286.04309	2.1
286.11929	1.1
304.05313	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	304.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12395	0.2
68.99782	0.3
96.81525	0.2
111.00757	0.5
111.47424	0.3
112.01109	0.4
121.02829	1.0
122.03182	0.3
137.02315	2.1
138.02654	1.9
142.39626	0.3
153.01865	2.5
154.02129	1.8
165.01810	1.5
166.02220	1.8
167.02913	0.3
183.02861	0.4
184.03249	0.5
196.03229	0.3
202.05795	1.3
220.06886	0.3
229.04900	1.1
230.05302	5.4
240.11363	0.6
248.06331	1.8
256.10757	1.7
258.04785	4.1
268.10739	0.5
275.05069	1.2
286.04309	2.1
286.11929	1.1
304.05313	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	304.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45958	0.9
51.77688	0.8
55.01877	1.0
55.05521	1.8
58.99591	8.6
72.43246	0.9
73.01145	1.0
74.31131	1.0
76.02230	7.2
76.03990	2.4
79.04038	1.0
79.05508	2.0
81.03426	1.2
81.07063	37.9
81.55731	0.9
85.02895	2.4
86.00674	1.8
86.09698	1.3
86.99043	10.1
88.02230	2.5
88.03992	1.5
93.37885	1.0
93.45026	1.0
95.06087	4.9
97.02859	1.3
97.06535	1.3
99.08092	4.3
105.07005	1.8
113.04222	1.1
113.11979	1.0
114.03756	1.2
114.05569	2.0
116.01675	89.9
122.09699	1.2
123.04395	1.4
131.05292	1.9
142.08653	3.8
144.01143	37.3
144.02234	1.7
152.04063	1.1
156.08400	4.2
157.06839	6.3
162.02197	100.0
166.06781	2.0
167.05284	1.1
174.06955	1.5
174.09462	2.3
184.07915	13.1
184.09599	2.3
185.09210	6.1
201.10529	9.5
250.95451	1.1
259.11121	1.6
260.09573	2.4
286.14142	1.2
287.10583	27.2
304.05472	11.2
304.09305	3.1
304.13181	23.7
304.16476	1.6
304.19815	3.6
321.67426	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17044	0.2
50.46865	0.2
55.05512	0.3
55.95224	0.3
57.03434	0.3
61.02921	0.5
63.10957	0.3
69.03418	1.4
69.36098	0.2
70.02921	0.3
70.06593	0.4
73.02916	0.3
75.82782	0.3
79.05493	2.1
80.05005	0.3
81.03435	0.5
81.05811	1.3
81.07066	3.1
82.02919	0.3
85.02912	4.5
86.09708	0.3
93.44057	0.3
94.77404	0.3
96.04475	1.1
96.08138	4.8
97.02882	1.3
98.06023	0.4
106.06549	0.3
107.90482	0.3
109.02847	0.4
112.07632	1.3
120.81413	0.3
124.07587	100.0
127.03902	1.2
138.38965	0.3
142.08635	19.5
142.09761	0.7
145.04973	0.3
158.03011	0.3
174.06555	0.3
185.09152	0.4
287.31433	0.3
304.10699	0.4
304.13892	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41229	1.1
57.03434	2.9
60.04534	8.5
61.02932	3.9
64.79711	1.2
69.03432	14.2
69.07067	24.9
71.04964	1.4
71.08630	19.2
73.02924	1.6
81.03413	5.6
84.04482	2.6
85.02902	66.7
86.02423	5.1
93.40748	1.2
96.08162	1.4
97.02893	39.1
97.06496	3.0
99.04454	2.2
103.03934	5.6
109.02892	14.8
114.09175	16.4
114.17533	1.3
116.01672	2.9
123.04365	1.6
127.03915	15.0
138.09174	2.8
142.08635	100.0
145.04951	7.3
151.03798	2.1
156.10193	2.5
162.02213	2.4
174.07027	1.3
180.10178	1.6
184.09683	82.4
185.09230	2.4
195.75085	1.3
208.09703	15.2
238.10762	1.6
250.10789	8.2
254.19493	1.4
286.12708	2.5
304.05185	1.8
304.13867	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	304.1907
Annotation	Acetylacrifoline
Peak:m/z	Relative Intensity
54.02149	0.8
55.05501	1.9
60.04510	1.5
69.07065	1.0
79.05463	1.4
81.07041	6.1
83.08613	4.7
84.04491	3.8
84.22358	0.8
86.21450	0.9
88.03977	1.2
91.05437	1.4
93.07019	4.6
95.08593	5.2
100.03966	2.0
105.07024	10.1
107.08567	5.4
109.10162	2.1
112.03969	3.7
119.08560	11.6
121.10072	1.3
123.11652	0.9
128.03418	1.2
131.08554	1.6
133.10138	3.4
137.09618	1.2
143.08566	1.8
145.10083	3.7
147.11671	4.9
157.10138	1.1
159.11702	4.9
161.13286	1.9
162.12720	6.2
171.11804	0.9
173.13185	1.1
175.14818	18.0
189.16382	1.8
191.26022	0.9
198.13742	0.9
199.14767	6.7
207.62733	0.8
216.17459	5.9
217.15820	3.6
218.19107	1.1
227.14195	1.3
245.15305	1.9
258.18573	1.8
262.17993	10.4
263.16357	5.1
286.18680	0.9
304.19067	100.0
304.23300	7.1
324.91498	0.9
327.01697	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	304.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	35.1
65.03924	0.8
71.34472	0.4
91.05476	100.0
150.10069	0.6
167.23515	0.6
212.23718	37.2
304.05243	1.2
304.29956	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86618	0.2
66.80194	0.2
68.99789	0.3
71.04971	0.3
81.07050	0.2
96.01710	0.2
96.50526	0.2
107.08572	0.3
109.02872	0.3
111.00788	0.4
118.46603	0.2
121.02872	0.4
123.04425	3.6
123.95535	0.2
125.05822	0.2
127.03888	1.7
137.02394	1.6
137.05930	0.4
138.02625	0.5
139.02821	0.4
139.03880	1.6
147.04369	2.2
149.02393	0.3
151.03893	0.6
153.01781	1.6
153.05428	6.2
154.02142	1.0
155.02316	1.4
161.05968	0.4
164.07004	1.4
165.01810	1.2
165.05426	1.1
166.02209	0.4
167.02351	1.2
179.03383	0.3
183.06393	0.3
185.03419	0.3
201.05450	0.3
203.03394	0.4
203.05894	0.3
212.35715	0.2
217.13313	1.5
229.04944	1.3
230.05194	1.0
231.05499	3.9
245.12804	4.0
249.06459	1.1
257.04587	0.5
258.04681	0.3
259.04922	2.9
273.12335	1.5
276.05307	0.6
287.04453	2.3
305.05508	100.0
305.14722	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	305.0654
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
50.03854	1.3
54.31224	1.2
59.20132	1.4
65.24179	1.3
68.31751	1.4
68.99763	1.2
74.15029	1.3
79.05471	1.4
92.17829	1.6
92.57751	1.3
93.06972	1.4
95.08546	1.4
111.04449	2.1
121.02821	2.6
123.04422	83.6
123.05328	2.7
132.52226	1.4
133.95354	1.2
135.04378	2.1
139.03853	10.9
149.02333	79.9
150.03053	1.6
151.03920	5.3
153.01823	100.0
161.02347	8.2
164.07014	2.0
167.03375	18.6
175.07642	2.0
179.03297	1.4
185.05991	2.3
195.02885	12.8
213.05527	10.3
231.06525	74.9
241.04985	8.4
259.05972	43.0
261.16281	1.6
287.05493	16.4
305.06308	27.7
305.13895	2.3
305.19647	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	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58788	0.5
53.57016	0.5
55.01857	0.9
57.03428	1.0
59.74699	0.6
61.02922	1.4
67.01919	0.5
68.99821	0.7
69.03423	4.5
73.02901	1.1
77.34982	0.5
81.03417	2.8
82.31757	0.6
82.85052	0.6
84.08138	0.9
85.02904	17.9
87.04457	0.8
87.26473	0.6
88.49537	0.5
91.03925	1.0
91.61635	0.7
97.02890	15.6
97.77823	0.5
98.97565	2.4
99.04414	0.8
109.02876	3.8
110.97530	0.8
119.04905	0.8
123.04404	1.4
125.02341	100.0
126.00253	0.6
127.03908	27.8
130.06534	1.4
137.05997	2.7
139.03934	7.1
141.06567	0.9
143.03387	79.3
144.13867	7.4
145.04944	3.2
147.04434	2.9
151.03885	12.4
155.03328	1.9
158.05983	7.0
158.99615	1.3
173.07109	2.7
173.93115	0.5
175.03867	1.0
179.03348	8.5
186.07582	0.8
203.03455	1.5
208.05000	1.2
217.05257	2.4
251.04366	1.4
253.03949	0.6
269.05475	1.4
277.07010	0.8
287.05603	4.0
296.08313	8.0
305.06247	8.5
305.11673	4.7
305.17249	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	305.102
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.81146	0.7
55.01102	0.8
72.42999	0.8
80.17664	0.8
95.04962	1.1
119.04933	5.6
121.02892	1.4
123.04422	27.0
127.03938	1.6
132.55116	0.9
137.05975	58.8
139.03899	100.0
141.05486	1.0
143.04979	1.5
147.04407	39.8
147.05577	1.3
151.03943	1.5
153.05455	50.1
153.06694	1.6
156.82393	0.8
161.05974	4.1
163.03893	1.5
165.05473	12.6
175.07513	5.8
179.07008	7.3
183.06577	1.5
193.08569	2.0
195.06596	1.0
207.06474	1.0
221.08128	3.9
221.94093	0.8
287.09305	0.9
305.05563	32.0
305.10159	21.7
305.13510	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	305.1019
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
55.01866	0.7
55.05487	0.6
71.04987	0.6
79.05480	0.8
81.07047	1.1
84.54119	0.4
91.05457	0.9
93.06992	0.6
95.08617	1.9
107.04967	0.5
107.08567	0.7
109.10102	0.9
119.04920	5.5
121.02868	1.0
121.10150	0.6
123.04422	50.5
125.05988	3.1
127.03895	2.7
133.02875	0.6
133.06525	0.6
133.10162	0.6
137.05977	2.0
139.03897	1.1
141.05455	3.3
142.12280	0.5
143.04938	1.1
147.04408	30.6
151.03912	1.1
153.05461	100.0
159.08336	0.8
161.05966	6.1
165.05458	22.6
171.17114	0.6
177.05443	1.0
179.03380	2.0
179.07024	3.1
183.06573	3.9
189.05392	2.0
195.06534	0.6
203.03238	0.5
207.06523	2.4
259.10809	1.0
287.05576	0.9
287.09235	1.2
305.06534	2.5
305.10123	21.8
305.17502	1.0
305.24515	1.5
325.59644	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	305.102
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
50.61165	0.4
52.94269	0.5
59.75836	0.5
60.53521	0.5
64.02058	0.5
65.67410	0.5
73.59379	0.5
74.37421	0.4
93.03430	0.9
119.04935	5.4
123.04421	49.1
125.05970	2.0
137.05931	1.0
141.05418	2.2
143.04932	1.0
147.03285	1.2
147.04410	26.4
148.42726	0.6
153.05461	100.0
161.05936	4.5
165.05467	25.2
168.96120	0.5
177.05365	0.9
179.07043	1.0
183.06506	2.8
189.05617	0.7
207.06549	2.6
219.79289	0.5
288.74683	0.6
301.89816	0.5
305.10178	21.9
326.85519	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	305.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03547	1.1
67.05502	1.7
79.05496	1.5
81.07059	2.3
93.07050	2.0
93.44106	1.4
95.08614	3.1
105.07054	2.0
107.04991	2.0
107.08586	2.7
109.10142	2.6
119.08633	1.7
123.04414	13.8
127.03955	2.8
130.06522	27.6
132.08080	18.8
137.05966	3.0
139.03970	9.3
142.06555	2.6
147.04402	10.3
147.11716	1.6
151.03915	2.6
151.07542	1.5
153.05452	24.8
155.03378	2.9
156.08113	1.7
158.08371	2.9
159.09175	100.0
160.07581	28.3
161.09583	1.3
163.07530	1.7
165.05473	8.8
169.07619	3.1
170.05994	35.8
171.06990	1.3
183.09183	2.9
184.07570	20.8
185.07082	46.9
187.08656	9.4
199.08626	2.5
200.07050	12.5
201.10196	15.8
202.08609	30.9
209.07022	1.8
227.08127	55.2
245.09186	78.6
255.07657	1.7
273.08710	26.8
287.05408	1.9
287.23489	1.6
305.10803	8.5
305.21008	5.6
305.24554	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	305.113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27114	1.2
75.60908	1.2
81.07056	2.6
85.06537	1.7
95.04958	1.6
95.08604	2.9
97.58938	1.3
105.07056	1.4
107.08617	1.7
109.10136	1.9
119.04932	1.6
119.08587	1.8
121.10160	1.8
123.04433	18.2
127.03875	2.7
130.05627	2.1
130.06526	37.2
132.08096	18.6
133.10112	2.6
135.11676	1.3
137.06007	2.5
139.03862	7.1
142.06485	5.3
147.04408	10.1
147.91888	1.3
151.03899	3.0
153.05452	34.0
157.07576	1.8
158.08421	1.9
159.09161	100.0
160.07578	33.3
165.05435	5.7
169.07637	2.6
170.05992	43.1
171.06837	1.8
183.09190	6.2
184.07571	25.7
185.07086	49.3
187.08672	9.3
199.08659	3.0
200.07079	12.3
201.10220	16.3
202.08621	42.7
209.07112	6.2
227.08142	51.5
243.11179	1.5
245.09201	91.3
255.07503	4.6
273.08670	30.0
287.10260	2.1
299.77728	1.7
305.11362	12.7
305.21048	4.9
305.24503	3.1
322.92896	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	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90795	0.6
55.01859	0.7
55.34252	0.6
55.91267	0.6
56.96558	0.8
57.03432	1.0
61.02924	1.7
69.03407	4.7
71.04951	0.6
73.02888	0.9
76.07855	0.8
81.03399	4.6
85.02904	17.0
87.04432	0.7
91.03943	0.9
97.02885	14.8
98.97569	3.6
99.04440	1.3
107.04993	0.7
109.02861	4.4
112.62171	0.7
122.06010	1.1
125.02344	100.0
127.03909	7.8
130.68610	0.8
137.05963	1.2
141.06544	0.9
143.03389	79.7
143.08147	4.8
145.04941	3.3
145.56294	0.8
147.04381	1.7
149.01166	0.9
150.05473	1.1
151.03883	1.5
158.99640	0.8
161.06526	1.1
185.74756	0.8
194.97443	0.9
215.07626	1.0
219.01622	0.7
234.98923	1.2
251.04335	1.4
269.05447	1.4
270.68048	0.7
296.08279	5.4
305.06393	3.5
305.12024	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
56.96576	1.4
57.03430	6.2
57.71965	1.0
61.02917	4.4
61.30980	1.1
63.93410	1.1
69.03411	5.0
69.99693	1.0
72.08149	1.5
72.26889	1.3
73.02917	23.6
80.05024	34.1
81.03419	4.7
84.04479	1.3
84.08131	1.4
85.02901	11.4
87.04458	2.7
96.04456	1.6
97.02881	5.2
97.43390	1.3
98.06061	2.5
98.97577	6.9
99.04442	1.3
99.05584	7.8
106.02927	11.9
109.02835	1.3
109.86246	1.2
114.05531	2.5
115.03916	6.0
116.98596	1.2
123.04639	1.2
123.05550	36.2
124.03956	46.5
125.02358	7.3
127.03913	10.0
130.12267	1.3
133.04970	2.6
137.05959	5.8
141.06587	100.0
143.03383	5.3
143.37756	1.2
144.10213	1.6
144.13815	4.7
147.04410	7.2
149.01245	1.9
151.03857	2.5
156.06552	5.2
158.06119	1.1
158.99698	2.4
161.31955	1.1
162.03360	1.2
166.04967	4.7
173.09221	24.7
179.03415	1.5
179.07016	1.4
183.07687	4.3
186.09488	1.1
201.00766	1.5
207.05188	1.5
208.04964	1.7
217.01617	1.5
217.05478	2.4
235.02740	1.5
251.04410	4.5
256.08041	2.1
269.05463	4.5
273.10800	46.9
296.08353	13.4
305.06253	6.2
305.13669	22.0
305.98007	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	305.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08972	0.6
59.87545	0.5
63.91394	0.7
74.69450	0.6
81.07076	0.9
87.45795	0.7
95.08562	0.9
102.85662	0.7
108.39204	0.8
108.40041	0.7
119.04917	0.8
121.02872	0.9
123.04417	10.9
127.03904	0.9
147.04411	7.7
147.11658	0.8
151.03859	0.7
152.41087	0.8
153.05452	24.0
165.05473	7.2
177.05521	1.1
250.34378	0.7
259.16937	1.1
269.15500	0.8
287.05786	1.1
287.16315	3.1
305.10269	6.5
305.13568	100.0
305.17142	4.8
305.20941	3.4
327.14780	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	305.1746
Annotation	CHEBI:65537
Peak:m/z	Relative Intensity
55.01875	0.8
67.05495	1.5
71.13972	0.7
81.07036	1.1
81.98068	0.6
83.04963	1.2
85.02869	1.1
95.08600	0.8
97.80212	0.7
98.33704	0.7
105.07022	1.0
109.10166	6.3
116.82121	0.9
119.08592	4.5
121.10080	1.1
123.04446	6.3
133.10129	2.9
135.11723	1.1
137.09599	1.7
139.07483	0.9
141.05482	0.8
143.08492	1.0
147.04395	3.1
147.08090	5.9
147.11693	0.8
153.05452	13.8
157.10159	1.0
161.06056	1.1
161.09602	4.6
163.07489	1.0
163.11111	0.9
165.05464	2.9
165.09109	1.4
175.11122	1.6
179.10638	3.3
185.09644	0.8
189.09120	14.9
203.10774	3.2
207.10210	3.7
213.09100	1.2
231.10243	1.2
249.11188	40.4
255.35950	0.8
267.12259	100.0
287.12988	1.1
287.16324	1.6
305.10248	3.1
305.17493	93.4
305.20914	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	305.2475
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.74915	1.7
54.75023	2.0
55.05516	2.8
67.05509	18.8
67.41230	2.1
69.07063	5.3
78.20863	2.0
79.05479	9.2
81.07056	20.2
83.08572	2.7
89.70986	2.3
91.05471	3.0
92.18497	4.1
93.07052	19.1
95.08590	12.0
97.06516	2.8
100.47621	2.0
107.08578	18.8
109.10124	9.4
115.44714	2.2
117.78970	2.4
119.08539	9.2
121.06450	2.4
121.10143	33.5
123.08113	2.8
131.08597	3.3
133.10139	12.5
135.08075	3.2
135.11716	5.2
137.13312	2.6
139.62177	2.1
145.10078	2.5
147.11679	19.0
149.13226	2.6
157.10075	3.1
161.13237	10.1
171.11665	2.8
172.41544	2.5
175.14656	2.5
187.14861	2.6
189.12863	3.2
193.12315	4.4
207.13795	5.2
209.15445	2.6
209.20793	2.4
221.15385	5.4
245.22643	3.3
269.22607	3.5
287.23532	3.2
305.24716	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	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.47042	4.7
51.84155	5.2
52.46737	5.8
52.62359	6.1
55.05523	7.3
59.71622	5.2
67.05505	71.6
69.07043	12.8
72.09875	6.4
72.42258	5.6
73.62753	5.9
79.05483	26.0
79.91164	6.3
81.07062	100.0
81.97684	6.5
91.05477	9.1
93.07040	43.6
94.89730	6.3
95.08595	72.3
95.98933	6.1
97.10143	6.6
107.08608	48.6
109.10143	40.2
118.25710	5.9
121.10133	55.7
123.11697	29.6
131.08551	9.4
133.10074	8.0
135.07996	9.3
135.11681	37.2
137.13240	11.1
147.11674	14.8
149.13290	31.4
163.14828	13.6
172.69795	6.3
177.16391	8.1
198.98354	6.7
209.15199	6.9
305.24741	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16436	6.9
54.45788	7.8
57.03436	12.9
58.83518	7.1
60.29769	7.1
60.42267	6.5
69.03424	16.2
71.04987	11.2
73.02900	38.6
81.03412	33.9
85.02905	20.3
85.41102	8.0
86.03700	10.9
97.02894	32.8
98.09673	33.8
100.09730	8.6
109.02885	20.9
111.57700	7.8
116.01202	9.9
121.01453	16.6
126.02560	8.6
127.03886	9.7
133.01468	9.2
139.01387	12.4
144.10185	42.5
146.99498	9.9
147.40858	8.3
155.03841	11.6
162.01755	11.7
164.03156	14.0
170.03288	10.0
173.03781	16.3
179.03786	15.7
200.04391	19.9
209.04875	100.0
218.05443	59.3
251.04486	12.7
255.03816	18.8
269.05466	33.6
273.04749	43.7
297.08154	17.8
302.61093	9.3
306.08539	50.1
306.15417	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	306.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00940	0.4
54.81208	0.5
56.90007	0.4
57.03432	1.0
61.02922	2.4
61.96111	0.4
65.03938	0.5
66.96783	0.4
67.05521	0.4
68.05022	2.4
69.03423	6.7
73.02917	2.0
76.21914	0.5
81.03405	0.9
85.02902	15.4
85.54284	0.5
87.04463	2.2
88.57977	0.5
89.40707	0.5
90.67674	0.5
91.03922	0.5
97.02908	4.3
98.00631	0.9
99.02678	1.0
99.04421	0.8
103.03953	0.7
109.02856	1.1
126.03728	30.1
127.03761	3.6
127.04655	0.9
139.03893	0.6
144.04774	100.0
145.04938	1.7
186.05830	5.1
288.08865	0.6
303.21213	0.6
306.06610	1.0
306.10040	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	306.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31566	0.8
69.37976	0.9
74.48497	1.0
91.05444	1.1
95.37704	0.9
112.66343	1.0
117.16084	0.9
119.04933	7.4
120.05283	6.7
120.14420	1.1
121.06384	1.0
123.04420	54.2
124.03860	1.3
124.04761	40.3
125.05991	2.4
127.03907	1.5
138.06236	1.6
141.05441	1.8
142.05786	1.6
147.04399	26.6
148.04753	31.9
152.04141	1.0
153.05464	100.0
154.05801	94.6
160.69386	1.3
161.05975	2.3
162.06317	6.8
165.05463	20.1
165.35948	1.1
166.05785	31.4
183.06520	2.6
184.06923	3.9
190.05789	1.5
195.65738	1.2
260.14670	1.3
288.09488	1.9
306.05927	20.6
306.10544	46.1
306.15686	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	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06053	2.2
56.35546	2.4
57.07083	100.0
59.99097	3.5
86.06072	24.2
106.06555	61.8
116.05318	27.4
138.92487	2.3
145.04330	12.6
171.26413	2.6
185.47173	2.6
201.10576	53.3
208.05391	3.2
272.46838	2.6
283.75516	2.7
306.16193	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	306.1661
Annotation	Ser Ser Ile
Peak:m/z	Relative Intensity
56.05022	1.7
60.04530	100.0
62.06092	1.3
64.37446	1.3
70.02919	2.1
70.06571	1.7
74.06075	7.5
84.04503	20.9
84.08107	2.5
86.09705	93.0
101.07127	8.8
102.04867	3.2
102.05542	77.3
110.09668	3.4
127.03865	3.3
129.06595	36.1
129.54225	1.8
132.10196	74.1
144.10219	2.2
147.07648	82.0
151.03954	2.1
155.11786	8.3
157.06122	6.0
157.60165	1.5
173.12834	25.4
175.07132	86.5
180.03683	2.0
183.11313	11.3
191.40294	1.5
201.12299	9.6
219.13394	31.8
229.11873	3.0
270.14600	2.3
288.15491	19.2
306.06766	2.7
306.16660	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.17
Annotation	Convolamine
Peak:m/z	Relative Intensity
61.59789	0.6
85.02905	29.4
102.62495	0.6
105.62461	0.8
110.09408	0.5
113.02347	1.3
113.23050	0.5
118.06561	3.9
124.82803	0.6
131.03387	1.3
132.08083	1.0
133.08864	0.6
146.09598	0.6
146.61429	0.5
161.37590	0.5
176.14331	100.0
190.11961	0.7
249.05649	2.5
265.08804	4.8
283.09918	4.3
288.16183	1.2
288.19513	1.0
306.16989	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32745	0.7
57.07072	2.5
57.18691	0.5
58.06591	1.0
61.58729	0.6
65.61917	0.7
70.06592	11.3
71.08617	2.4
72.08147	1.6
84.08144	1.2
86.09682	2.4
88.07628	10.0
89.05976	0.8
90.25870	0.6
91.05553	0.7
95.08614	0.7
102.09177	4.8
106.45712	0.8
124.04738	0.8
132.10193	8.0
146.11757	12.1
153.05554	0.9
154.05785	1.0
156.17494	3.9
182.19080	0.8
200.20100	26.2
206.18245	0.6
244.22701	68.3
269.85486	0.7
288.25381	1.1
304.50070	0.7
306.26379	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	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90529	0.5
57.07072	2.5
58.06598	0.8
70.06592	13.3
71.08620	2.3
72.08157	1.3
82.04829	0.6
84.08131	1.3
86.09699	2.7
88.07634	9.2
89.06045	1.1
92.17836	0.8
99.28376	0.6
102.09195	5.1
112.51003	0.7
118.91508	0.6
124.04725	0.7
132.10188	12.4
146.11739	13.1
153.05437	1.3
154.05792	2.5
156.17464	4.2
180.92905	0.6
182.19023	1.1
200.20091	29.3
244.22702	64.8
261.20010	0.6
288.25345	0.8
306.26385	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	307.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94299	1.2
68.82195	0.9
69.03411	1.1
71.04974	1.2
72.93773	3.8
78.75374	1.0
85.02907	1.9
90.94814	1.9
97.02868	1.6
99.04496	1.6
102.59898	1.0
122.07135	4.1
127.03925	5.3
129.00067	1.2
130.06487	2.3
132.95847	14.6
135.04370	1.3
136.06146	1.8
139.03903	51.0
144.04762	1.3
144.95837	11.2
144.99484	10.4
145.04970	1.2
147.00992	1.3
150.96822	1.5
151.03874	3.7
156.95834	4.9
157.07631	7.9
158.06009	6.3
158.97372	30.0
159.09140	2.0
162.96872	2.5
163.00519	22.0
163.03905	6.7
164.08122	1.8
168.95836	14.6
174.83499	1.1
174.96872	2.3
175.08595	1.8
176.98433	6.1
177.05412	1.5
181.04831	1.9
186.96921	7.7
187.00508	12.4
190.99825	1.4
195.06602	4.3
198.96855	5.4
199.00529	8.4
204.15431	1.1
204.98093	1.2
205.01585	22.5
216.97960	21.9
217.01549	21.8
223.05954	1.5
229.01627	2.5
231.03189	2.0
234.98985	81.6
241.01610	6.4
247.02673	4.2
249.03969	1.2
253.00026	5.4
289.03677	3.5
289.08051	1.4
305.03162	2.2
307.04764	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04559	3.4
79.35294	3.3
89.68672	3.3
107.99611	3.6
113.58852	3.6
166.58270	3.7
207.70993	3.6
219.67572	4.0
253.07808	4.8
277.07706	4.9
289.07602	6.6
307.07828	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	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63961	2.0
52.67040	2.1
67.64981	2.2
69.03432	2.4
82.16481	2.0
84.04486	12.8
85.02901	3.0
92.17878	2.6
96.04481	11.8
103.82833	2.0
113.32886	2.2
114.05527	23.1
128.60683	2.5
130.04982	10.3
130.06491	2.9
142.04987	32.0
155.32471	2.3
157.07587	8.7
158.06050	2.5
168.56419	2.0
170.04436	3.6
226.07155	11.2
272.07510	21.6
307.07849	100.0
307.10623	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	307.0813
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.20999	0.2
58.04911	0.2
60.04856	0.2
67.05506	0.3
70.90406	0.3
80.38820	0.2
84.40419	0.3
95.04945	1.7
97.02870	0.3
104.58168	0.3
107.04945	0.3
111.04414	0.4
123.04460	1.0
127.03838	0.5
131.04897	0.3
133.02859	1.4
135.04413	1.7
139.03903	100.0
145.96490	0.3
151.03903	3.9
153.01868	0.3
153.05438	0.5
159.04436	1.8
163.03896	12.1
163.91504	0.3
169.04916	2.1
177.05466	3.3
181.04973	5.5
195.06523	5.9
205.04971	1.6
223.06105	1.0
234.81439	0.3
247.05978	0.4
268.28595	0.3
289.07114	1.3
307.08084	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	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
56.71789	0.3
60.39192	0.3
68.99802	0.4
69.60439	0.3
92.17847	0.4
95.04943	1.7
99.43004	0.3
102.60040	0.3
111.04432	0.3
127.03883	0.3
133.02841	0.5
135.04385	2.3
137.84895	0.4
139.03894	100.0
151.03915	4.8
153.01830	0.4
153.05411	0.6
158.78659	0.3
159.04385	1.7
163.03882	12.4
168.65082	0.3
169.04924	1.9
177.05481	2.7
181.04982	4.1
195.06512	6.1
205.04982	0.8
223.05977	2.1
289.07016	0.5
307.07977	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	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27736	1.0
63.67047	0.9
82.07824	1.2
85.06550	2.1
86.43052	1.0
87.00858	1.1
94.06563	1.6
105.37682	1.3
123.04397	2.5
130.06523	56.5
132.04459	8.6
139.03902	22.9
146.05995	5.8
151.03906	1.1
157.07608	88.2
158.06007	100.0
163.03836	1.5
167.75494	1.1
173.07092	1.6
175.08656	71.6
199.08609	1.7
201.06578	10.0
203.08221	6.0
221.09178	1.7
225.06432	1.4
243.07640	10.0
245.09164	1.7
247.07172	1.8
261.08716	40.2
261.11386	2.1
285.79279	1.0
289.08200	17.9
307.09189	11.7
307.15341	1.0
326.25128	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	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	2.1
81.03451	1.1
81.95978	1.0
84.04505	22.3
84.08143	100.0
86.06081	8.7
86.09697	6.7
88.03979	4.3
91.04089	1.0
94.20535	1.0
102.09199	1.2
130.08600	1.9
139.03928	2.6
141.13875	2.4
145.15884	1.1
169.13356	14.3
173.50273	1.2
200.09404	2.4
215.11810	19.3
215.13928	51.2
219.11281	1.4
228.08885	6.1
231.11247	1.7
232.12123	11.0
233.12820	4.2
242.10472	16.4
243.11272	81.6
243.16983	37.9
243.19351	2.3
253.09703	5.4
260.11438	9.5
261.12326	38.0
271.10764	33.1
289.11810	89.6
306.00671	1.2
307.12891	67.1
307.16830	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	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
54.46597	0.8
55.61011	0.6
55.74577	0.6
58.06469	0.6
59.18713	0.6
59.29083	0.7
59.64878	0.6
71.41041	0.6
102.12783	0.8
104.75522	0.7
137.17332	0.8
140.07043	0.7
158.16985	0.7
168.06458	0.9
178.08600	14.2
188.07030	1.7
202.08659	4.7
205.09694	3.9
206.08122	3.0
216.10159	1.2
217.98705	0.7
219.11253	4.3
220.09750	1.3
226.08629	0.9
229.09647	3.7
229.39487	0.7
230.08081	4.3
233.12941	0.8
243.11330	1.5
244.09657	4.6
247.10773	16.5
248.08939	1.0
257.46719	0.7
261.12186	0.8
262.10718	1.4
265.11832	16.7
268.63168	0.7
271.10718	1.0
272.09140	1.7
289.11810	21.8
307.12854	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	307.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	21.5
66.58439	0.4
74.93370	0.4
80.78254	0.3
85.06532	1.5
91.05491	0.6
114.88918	0.4
115.05427	0.6
117.07001	1.0
121.06483	1.8
124.12553	0.5
134.71567	0.4
135.08041	9.2
145.06473	100.0
159.45561	0.4
163.07520	23.7
205.08566	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1539
Annotation	Ovatifolin
Peak:m/z	Relative Intensity
55.01865	1.2
55.05499	1.5
62.40213	1.1
67.05486	1.6
69.07046	1.6
79.05500	1.7
81.07042	6.6
83.04977	1.2
85.02911	1.4
91.79489	1.1
93.07015	6.6
95.04986	2.2
95.08578	2.0
105.07035	8.6
107.08549	2.0
109.06508	6.4
119.04940	1.6
119.08569	2.8
121.06479	8.1
121.97453	1.0
123.08049	2.4
126.56092	1.2
129.06963	1.3
131.08534	10.4
133.06453	6.2
133.10104	1.8
137.05980	6.3
139.03839	1.5
140.42444	1.1
142.07756	2.0
143.08513	6.7
145.06465	2.5
145.10095	10.2
147.08000	4.8
147.11674	2.2
149.05962	2.3
149.09613	1.4
151.07571	1.7
153.05464	1.3
155.08534	13.4
157.10129	15.6
159.08057	11.5
161.09624	5.5
163.07500	1.4
167.08487	5.0
168.09343	2.9
169.10133	5.5
171.08000	6.6
171.11658	7.0
173.09608	13.9
175.11182	1.4
179.08582	2.0
181.10120	6.5
182.10939	5.7
183.08052	5.7
183.11679	18.8
185.09607	9.3
187.11148	5.9
189.09090	1.9
189.12772	6.4
192.09340	6.2
193.10110	5.8
195.08138	1.5
195.11624	8.6
196.08807	4.9
197.09593	6.3
197.13231	17.4
198.10451	1.7
199.11168	23.2
201.09039	2.0
201.12697	7.5
207.11613	10.8
209.09604	4.8
210.10323	7.6
211.07565	2.3
211.11157	16.8
213.09070	1.5
213.12714	7.1
215.10632	2.7
215.14320	4.4
217.12209	2.0
220.08768	1.7
223.11205	6.5
225.12775	29.4
227.10654	7.7
229.12181	12.0
235.11211	5.5
241.12207	10.1
243.13780	11.1
245.11638	5.7
247.13232	17.9
253.12216	27.2
259.13205	5.8
271.13245	32.1
277.14294	5.1
289.14352	36.9
307.15356	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	307.1541
Annotation	Tenulin
Peak:m/z	Relative Intensity
53.69460	1.5
55.01869	1.5
67.05506	1.9
68.47465	1.8
81.03410	2.6
81.07033	9.8
93.07013	3.6
95.04968	2.2
95.08607	2.0
96.03235	1.7
105.07018	8.0
109.06483	4.0
117.06987	2.2
119.08633	1.8
121.06491	10.2
121.58465	2.1
123.08047	3.9
129.07043	1.9
131.08595	8.9
133.06500	3.7
137.05865	2.7
143.08525	4.0
145.06409	3.3
145.10103	6.9
147.08043	6.4
149.05957	3.0
151.07526	2.3
155.08530	12.0
156.09433	1.8
157.06514	3.1
157.10121	11.6
159.08035	3.1
161.09697	2.5
164.76808	1.8
169.06441	1.8
169.10078	3.2
171.08040	4.2
171.11661	7.6
173.09615	8.8
175.07762	2.0
175.11110	2.7
181.10005	1.9
182.10849	2.3
183.08073	6.1
183.11679	9.3
185.09584	4.1
192.09389	2.8
193.10103	2.6
195.08009	2.8
195.11656	2.9
197.09569	3.2
197.13228	13.0
199.11136	28.5
201.09042	3.2
201.12709	3.3
207.11723	4.2
210.10294	7.9
211.11136	12.0
213.12721	3.7
215.14233	3.1
217.12221	3.4
220.08786	2.3
225.12720	28.7
227.10641	20.4
229.12236	9.6
235.11131	7.2
238.09824	2.2
241.12209	4.2
242.12898	1.8
243.13791	15.3
245.11543	6.5
247.13263	8.6
253.12172	24.6
271.13254	39.6
287.63483	1.8
289.14307	70.3
307.15390	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	307.165
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54613	0.4
66.09406	0.4
81.07035	0.7
85.43874	0.4
91.05453	0.5
93.07053	0.6
95.08569	0.7
107.08563	0.6
114.09107	0.5
119.08606	0.4
122.06041	0.5
124.07570	5.7
126.09147	3.4
135.08054	0.4
136.07573	24.7
138.09134	42.4
139.03874	0.9
140.07001	1.7
147.19196	0.4
152.07063	16.0
159.11688	0.6
164.07045	100.0
170.08118	2.6
181.86754	0.4
182.08118	15.6
241.05408	0.5
289.15442	8.5
289.18427	0.6
307.15106	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	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.0
58.06596	2.8
66.25257	0.5
71.47807	0.6
80.76865	0.6
82.94383	0.5
84.03995	0.9
84.04502	21.0
84.08144	100.0
86.06061	7.4
86.09700	3.7
88.03969	4.3
105.55704	0.5
113.13676	0.5
118.06924	0.7
130.08627	1.3
138.39572	0.6
139.03917	2.6
140.03439	0.7
141.13855	4.1
169.13341	15.5
182.27536	0.6
198.11224	1.3
215.11884	3.2
215.13893	53.3
232.12047	1.1
233.13010	0.6
242.10468	2.3
243.11316	12.2
243.17017	39.0
261.12384	5.3
262.11105	1.4
271.10681	6.2
289.11783	9.9
307.12912	9.8
307.16852	35.2
307.20383	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	307.1903
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01872	11.0
55.05524	15.0
57.03439	36.4
65.03925	1.9
66.15576	1.9
67.05170	3.6
67.05506	74.5
69.03431	2.5
69.07070	5.3
73.02902	3.0
79.05495	72.1
81.03423	11.6
81.07058	66.1
83.04977	45.0
83.08625	4.3
85.06528	3.4
91.05480	90.5
93.07040	72.1
95.04962	14.1
95.08587	21.8
97.02920	2.8
97.06535	30.2
103.03919	5.0
105.07027	48.0
107.04928	9.1
107.08611	17.0
109.06499	5.1
109.10143	5.0
115.05431	3.8
116.06213	2.5
117.07014	28.2
119.08575	38.8
121.06477	3.7
121.10115	26.9
123.08053	4.7
123.11647	2.8
129.05449	11.5
129.06985	19.8
131.08560	100.0
133.06424	4.0
133.10118	20.2
135.08063	10.2
135.11674	11.6
137.09593	5.2
141.07019	5.4
143.08565	8.6
145.10089	32.7
147.08029	3.7
147.11722	5.0
149.09601	23.2
151.11281	2.1
151.83371	2.1
155.08566	11.4
159.11659	11.1
161.09583	2.7
161.13228	2.9
169.10095	10.2
171.11699	19.3
173.09569	3.0
173.13237	12.0
187.14824	14.8
189.12740	4.6
197.13263	28.1
215.14308	18.5
233.15320	4.2
247.16568	2.0
251.16319	2.7
307.19052	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26594	1.9
55.01870	4.5
55.05506	14.5
56.27957	2.0
57.03442	41.6
63.21316	2.3
67.05507	61.9
69.07062	10.2
71.04975	3.1
73.02896	2.4
74.48084	2.1
79.05048	3.7
79.05489	67.9
81.03426	16.4
81.06578	3.7
81.07044	46.2
83.04975	28.8
83.08638	3.9
85.06547	5.6
90.57854	2.4
91.05474	87.8
93.07037	79.4
95.04955	11.5
95.08622	24.7
97.06528	28.1
103.03901	5.8
105.07021	38.7
107.04946	12.9
107.08623	20.9
107.09237	3.0
109.06499	10.7
109.10153	11.4
109.81627	2.4
114.76580	2.7
117.07008	24.2
119.08576	38.0
121.06503	3.6
121.10107	24.1
128.06247	2.2
129.05455	8.5
129.07021	20.2
131.08559	100.0
133.10155	16.5
135.08032	4.5
135.11693	13.8
137.09578	3.7
141.06979	9.3
143.08517	4.3
145.10103	31.6
147.07999	3.4
147.11659	5.2
149.09593	17.7
149.13232	3.2
155.08522	9.5
159.11703	14.6
169.10101	15.5
171.11723	23.0
173.13266	14.4
187.11150	3.0
187.14809	17.8
197.13176	21.6
215.14339	24.0
233.05544	2.7
233.15340	2.9
261.12772	2.9
264.57700	2.4
289.12296	3.0
307.13266	14.8
307.18997	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2054
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.25202	1.4
56.75852	1.5
57.62078	1.6
61.99556	1.6
63.11895	1.5
64.83900	1.7
70.21129	1.6
75.45774	1.7
85.06519	1.9
91.05472	2.2
93.07103	2.2
95.04981	2.8
105.07022	9.8
107.08591	3.2
119.08579	10.9
121.10139	2.8
123.30405	1.8
129.06978	9.9
131.08560	9.5
133.10117	28.7
135.08055	1.8
139.03963	2.6
143.08546	14.5
145.10123	9.8
147.11726	3.1
156.09349	2.2
157.10109	9.9
159.11719	7.0
161.09583	3.3
161.11516	3.0
169.10086	8.1
171.11629	4.2
175.11208	2.3
181.10149	2.8
183.11693	6.9
187.11230	8.2
193.10147	3.8
195.11714	9.1
197.13239	3.4
200.32117	1.8
207.11641	15.2
207.62480	1.8
209.13281	9.4
213.12660	2.7
221.13274	11.8
223.14832	11.4
233.13232	3.8
234.14003	12.2
235.14789	3.2
237.12894	2.6
237.16422	7.3
245.13463	2.1
247.14839	9.4
248.15562	8.1
249.16350	40.1
259.14774	2.6
260.15723	2.1
261.16437	3.1
263.17950	11.0
264.18796	2.8
265.15933	2.9
265.19519	15.4
274.17078	11.2
277.17896	3.7
279.17419	1.8
279.21133	3.3
289.19427	22.0
291.19339	2.5
307.20584	100.0
307.22968	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	307.2059
Annotation	16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one
Peak:m/z	Relative Intensity
53.19337	2.1
65.62061	2.4
71.11716	2.1
77.59051	2.3
79.45766	2.4
79.73360	2.6
81.07044	2.7
95.08652	3.3
103.49100	2.5
105.07026	6.3
107.08580	5.1
119.08581	17.8
129.06992	13.9
131.08537	12.4
133.10124	42.7
143.08569	15.8
145.10118	15.2
147.11716	10.8
157.10107	16.3
159.11662	5.6
161.09662	4.9
161.11507	3.1
168.99628	2.6
169.10095	6.3
171.11667	12.8
175.11191	5.5
183.11688	5.2
185.13219	2.9
187.11182	11.8
193.10117	3.5
195.11668	3.4
197.13107	3.1
206.10941	2.5
207.11662	3.9
208.12428	3.1
209.13194	2.8
221.13284	16.0
223.14775	3.4
234.13957	14.3
237.16399	5.7
247.14674	4.0
248.15654	9.2
249.16386	49.9
259.14838	11.3
263.17984	14.6
264.18652	5.5
265.16318	2.6
265.19464	16.8
274.17157	16.2
279.21127	4.0
289.19492	19.0
292.18054	2.7
307.20508	100.0
307.22882	53.0
313.62100	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	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.72596	1.5
55.01866	2.2
55.05502	8.1
57.03443	14.5
67.05168	2.5
67.05506	48.9
69.07043	10.8
79.05495	28.3
81.06649	2.3
81.07061	39.1
83.08609	3.7
85.06558	2.0
90.45132	1.8
91.05476	13.0
93.07034	33.3
95.08098	2.4
95.08598	36.2
103.21447	2.2
105.07048	13.3
107.08568	20.8
109.10148	20.9
117.06967	9.4
119.08556	9.1
121.10139	24.7
123.11672	8.2
129.05444	3.5
131.08562	14.2
133.10078	10.4
135.11700	19.0
137.13264	2.3
139.03882	3.6
145.10052	10.2
147.11636	4.5
149.13239	10.5
159.11646	7.7
173.13235	2.8
189.16406	3.2
210.73172	1.8
214.26952	2.0
215.17947	17.3
233.18950	4.0
240.64557	2.1
278.74936	1.9
289.17871	3.2
292.36026	1.9
307.13306	3.9
307.19464	3.9
307.22620	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	307.2629
Annotation	9,10-Epoxytrixagol
Peak:m/z	Relative Intensity
55.05521	10.9
57.07072	5.7
67.05510	19.3
69.07070	23.7
74.95603	1.4
79.05492	3.7
81.07058	100.0
83.08606	9.5
85.06534	1.4
85.58506	1.5
93.07034	10.1
95.08605	96.2
97.01786	1.5
97.06528	2.0
97.10146	14.3
99.08056	1.7
100.02913	1.8
105.07010	2.6
107.08601	11.5
109.10156	56.1
111.08028	2.0
111.11734	2.4
112.05717	1.5
113.33781	1.4
119.08573	3.0
121.10172	10.8
123.11702	25.5
125.09633	2.0
133.10147	2.8
135.11658	7.4
137.13255	7.7
139.11226	2.7
140.48302	1.4
140.90286	1.5
144.60947	1.6
147.11667	2.6
149.13264	6.3
151.14809	16.9
159.07977	1.5
161.13263	2.4
163.14839	2.1
163.29681	1.8
175.14650	1.7
177.16371	2.0
198.52753	1.8
201.16327	1.7
223.16878	2.3
237.18394	3.0
262.24594	1.5
289.25311	2.6
307.13309	3.1
307.26257	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05505	7.5
57.07069	5.4
60.39452	1.3
67.05513	14.8
69.07066	18.1
78.42628	1.4
79.05480	3.0
79.46565	1.4
81.07064	100.0
82.93420	1.4
83.08618	9.2
92.17867	3.0
93.07037	10.2
95.08607	89.8
97.06531	1.6
97.10168	9.2
105.07067	1.8
107.08580	10.8
109.10160	57.6
111.08069	2.9
111.11697	1.5
119.08582	2.5
121.10153	9.6
123.11716	23.0
133.10146	2.3
135.11696	7.4
137.13260	10.3
139.11198	2.6
147.11649	2.6
149.13255	8.2
151.14809	12.4
163.11217	1.6
163.14833	3.2
175.14941	1.5
177.16542	1.6
219.17528	1.7
220.17784	2.5
237.18565	2.4
259.85565	1.5
271.24118	2.2
289.25186	6.9
307.26309	42.5
314.93036	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	307.2629
Annotation	11, 14, 17-icosatrienoic acid
Peak:m/z	Relative Intensity
55.05511	15.8
57.07069	18.0
59.34651	3.3
62.20697	3.0
67.05498	21.7
67.52219	2.7
69.07071	41.4
71.08617	7.0
72.57007	2.7
79.05504	3.7
81.07061	68.3
83.08605	40.7
85.06576	3.6
92.18462	3.6
93.07049	33.7
95.08611	61.6
97.06512	3.1
97.10157	17.8
105.07046	5.4
107.08591	33.4
109.10149	48.5
109.22789	3.6
119.08550	5.3
121.10126	31.6
123.11671	41.4
135.11691	16.9
137.13281	6.2
139.03897	16.6
147.11676	5.6
149.13237	37.1
154.82404	3.2
163.14798	11.1
167.14331	3.3
177.16367	7.1
206.84921	3.1
215.18156	3.8
261.25775	21.8
271.24295	3.7
289.25211	31.9
307.09698	3.1
307.13263	4.6
307.26276	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	307.263
Annotation	Nidorellol
Peak:m/z	Relative Intensity
55.05504	8.0
57.07071	5.8
65.03954	1.7
67.05506	79.1
67.13743	1.2
67.47414	1.2
69.07057	8.0
71.08597	1.7
79.05486	8.6
81.07058	95.6
83.04978	1.8
83.08607	7.8
91.05466	1.7
93.07034	8.4
95.08602	100.0
97.02895	1.6
97.10146	6.1
105.07063	1.7
107.08575	2.9
109.09455	2.1
109.10150	38.4
119.08588	2.7
121.10137	7.2
123.11694	17.8
131.00209	1.6
131.08566	4.7
133.10120	2.9
135.11674	1.7
137.13258	10.4
139.03856	1.9
140.77405	1.3
145.10118	2.3
147.03038	5.4
147.11809	1.4
149.01169	2.9
149.13309	1.6
151.11168	1.7
151.14827	3.0
156.03612	12.1
167.54486	1.2
173.13261	1.6
187.38463	1.4
191.02269	1.6
223.16971	2.1
237.18579	2.4
251.19974	2.5
266.14673	10.1
276.60278	1.4
289.25317	2.1
291.96780	1.4
307.19058	2.9
307.22690	2.0
307.26288	53.4
316.04584	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	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
54.53166	1.5
55.05521	18.1
57.03421	1.9
57.07066	7.9
67.05175	1.9
67.05510	40.2
67.23233	1.6
69.03415	1.6
69.07080	30.7
70.35262	1.8
71.04989	8.1
79.05489	20.7
81.07060	97.8
83.04986	3.9
83.08628	13.1
85.06527	15.9
91.05476	12.1
93.07041	44.8
95.04936	3.5
95.08598	100.0
97.06522	7.8
97.10168	11.2
99.08068	3.4
105.07037	24.9
107.08599	39.9
109.06499	3.3
109.10161	52.2
111.08061	8.2
119.08598	19.3
121.10153	31.9
123.08063	4.5
123.11704	22.7
125.09684	2.1
125.23594	2.0
131.08574	9.0
133.10127	22.0
135.11671	23.5
137.09619	4.1
137.13261	3.6
139.03888	12.6
145.10114	15.9
147.11694	19.3
149.13255	19.8
159.11714	9.7
161.13255	11.5
163.14807	7.0
173.13272	3.6
175.14885	7.1
177.16368	3.3
188.44637	1.9
189.16330	3.1
191.17938	2.2
271.24265	9.7
289.25305	31.9
307.12585	3.2
307.15729	2.5
307.26285	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07111	0.5
52.80802	0.5
56.09911	0.6
59.15911	0.5
60.83753	0.5
70.06591	15.8
73.06538	1.0
76.12605	0.6
84.08137	16.4
84.22102	0.7
90.05555	3.3
91.05463	1.3
102.09188	6.8
107.04941	6.8
108.17416	0.6
114.05495	0.9
116.07093	20.7
119.04943	9.0
119.94081	0.6
133.06491	6.0
138.09140	2.4
140.04303	0.8
144.10182	13.4
147.04405	100.0
147.08051	1.3
147.66525	0.6
162.11243	45.1
168.39528	0.6
184.09709	2.9
208.89935	0.6
226.45732	0.6
236.54646	0.6
244.13138	0.9
267.15970	1.3
290.13940	5.7
308.14920	12.9
308.18210	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	308.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06816	2.6
57.07078	54.4
85.06509	1.6
88.07629	2.9
91.05476	100.0
100.18389	1.8
102.09169	1.8
106.06560	10.7
109.10146	3.4
118.06528	3.1
119.04939	18.8
122.61684	1.6
127.11168	21.2
132.90999	1.6
136.07588	10.7
144.13824	49.6
147.04395	6.0
156.69417	1.6
158.99603	1.6
165.05495	3.6
182.08105	58.0
244.72678	1.5
262.17975	2.1
308.18402	13.1
317.38913	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	308.2584
Annotation	Fingolimod
Peak:m/z	Relative Intensity
55.01870	1.2
55.05507	5.8
55.78413	1.0
57.07059	2.0
67.05515	7.0
69.07063	9.9
71.04977	1.1
71.08633	27.8
79.05478	5.7
80.41759	0.8
81.07058	18.1
83.08603	5.5
91.05457	4.0
93.07036	13.8
95.04958	2.3
95.08608	20.5
97.06502	4.7
97.10156	4.2
99.08094	19.7
99.18179	0.9
105.07019	5.8
107.08591	14.2
109.06511	15.4
109.10162	9.0
111.08064	1.7
117.07014	1.0
119.08582	6.3
121.10114	5.6
123.08023	1.7
123.11674	3.9
126.62239	1.1
131.08621	1.6
133.10112	4.9
135.11633	2.0
137.09573	1.1
145.10162	1.0
147.11639	4.1
149.13268	4.4
151.11154	1.2
153.12721	1.4
154.16710	0.9
157.10077	1.2
159.11655	1.6
161.13162	1.7
163.14764	1.1
165.12740	43.6
171.11624	1.0
175.14821	6.0
179.14226	3.8
193.15851	6.9
210.18446	0.9
235.16873	9.0
291.23187	86.9
308.25812	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	308.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09084	1.8
55.05512	14.9
67.05498	4.5
69.07075	19.1
72.04138	3.8
72.04515	94.1
75.62563	1.7
80.17314	1.7
81.07059	7.8
83.08595	13.5
88.18948	2.1
95.08605	7.2
97.10135	2.8
100.07567	2.3
109.10144	4.3
114.09153	12.7
122.64894	2.0
128.10669	9.3
133.10164	2.2
142.12251	4.4
143.48303	1.8
154.12218	2.3
156.13841	3.9
170.15376	2.3
231.66550	2.0
290.53369	1.9
292.24673	2.4
308.29459	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	309.0496
Annotation	(2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Peak:m/z	Relative Intensity
56.02782	0.5
56.96290	0.9
56.96564	17.6
57.93228	0.6
61.58329	0.5
62.43885	0.5
63.82286	0.5
70.11388	0.6
71.95246	0.5
73.18478	0.5
77.74282	0.5
82.78115	0.6
84.08129	1.4
84.96031	1.2
98.97582	59.9
108.95705	0.5
110.97603	0.6
112.99108	4.0
116.98619	14.2
124.99113	44.0
127.00676	0.9
128.07086	0.7
128.98593	0.7
131.00142	2.5
134.99614	0.9
139.00623	0.9
140.98552	1.2
141.02238	3.4
143.00163	43.0
148.99106	0.6
151.00653	4.3
152.98590	27.5
156.98106	0.8
158.99623	0.8
159.03297	2.7
161.01215	11.0
167.00156	6.4
168.98073	3.3
169.01714	11.5
170.99648	52.6
173.01219	11.0
176.98637	2.2
182.99669	1.1
185.01212	43.8
186.99173	7.2
187.02722	5.4
189.00711	20.9
191.02261	2.5
194.99643	6.6
201.00722	1.0
203.02258	16.4
205.00221	4.8
213.00681	28.9
213.02721	1.1
221.03171	2.0
231.01747	42.2
245.03392	2.5
247.01277	2.3
249.02788	46.1
253.98833	0.8
255.01724	0.7
267.03830	18.1
273.02771	7.9
285.05045	4.9
291.03842	100.0
309.04904	87.6
327.05917	1.4
332.06506	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	309.0969
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
66.35665	0.3
67.16270	0.4
71.08591	0.4
81.03412	6.7
89.11598	0.4
91.05470	2.0
92.92709	0.4
109.02876	15.4
119.04930	8.5
120.92484	0.4
127.03888	5.7
129.09137	0.7
131.02184	0.4
147.04399	100.0
162.06796	0.4
165.05476	4.0
166.41092	0.4
177.27856	0.4
309.09650	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
53.03959	0.3
71.04960	0.6
73.33900	0.4
81.03417	8.6
85.02866	0.7
91.05470	2.4
92.17773	0.4
97.02884	0.6
99.04443	0.8
109.02124	0.5
109.02872	14.1
119.04935	8.7
124.03952	0.6
127.03897	4.1
145.08644	0.5
147.04401	100.0
158.27631	0.5
165.05441	4.8
189.05200	0.4
208.02872	1.0
291.08728	0.6
291.13300	0.5
309.09671	36.1
309.13953	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
57.03425	0.4
59.51214	0.4
59.55268	0.5
59.72869	0.4
69.79025	0.5
71.04990	4.3
78.32150	0.4
81.03420	16.1
81.27991	0.4
85.02911	0.9
91.05482	1.8
92.18483	0.6
99.04453	15.8
100.23194	0.6
109.02874	14.2
119.04930	8.9
123.04429	0.5
124.03870	0.7
126.85188	0.4
127.03920	3.8
132.95856	2.2
136.05130	1.0
136.06178	32.0
147.04402	100.0
165.05467	9.4
188.98489	0.6
196.90004	0.5
198.20874	0.5
216.94713	0.4
263.13858	0.6
268.10379	5.7
291.13419	0.5
294.56580	0.5
309.02631	4.4
309.09671	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
65.24719	0.4
69.03398	0.6
69.17122	0.4
71.04995	4.2
81.02979	0.9
81.03419	14.9
81.18484	0.4
82.36294	0.5
85.02888	0.8
91.05479	1.0
92.18489	1.1
95.04981	0.6
99.04456	15.4
109.02879	14.7
119.04949	9.5
123.04414	0.9
124.03949	4.5
127.03894	3.1
130.04967	0.6
132.95840	1.0
136.06201	1.1
137.09557	0.5
139.03891	0.7
145.04933	0.6
147.04402	100.0
150.96933	0.8
163.03873	0.7
165.05443	7.9
174.21695	0.5
188.98445	1.1
206.10497	0.9
263.13943	3.3
268.08057	0.7
273.12274	0.8
291.13477	1.0
309.02563	2.9
309.09653	41.3
309.14316	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	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94336	3.3
64.63153	4.1
64.85262	3.3
65.85174	3.2
70.74736	3.0
71.86754	3.1
77.92236	3.4
93.91300	3.3
108.62453	4.0
110.28904	3.5
119.21277	3.1
134.06654	3.4
137.05965	13.5
137.72762	3.3
176.10634	4.7
186.05768	3.3
199.26375	3.7
200.10664	4.5
203.11826	7.7
204.10158	32.6
228.10210	100.0
231.11220	5.6
231.26759	3.6
242.10548	6.4
243.11450	3.6
245.12883	7.2
246.11194	13.4
256.09634	28.5
273.12265	16.6
274.10706	20.3
291.13409	97.2
309.14191	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	309.1444
Annotation	PP242
Peak:m/z	Relative Intensity
50.01670	0.8
54.93864	0.8
57.28164	1.0
57.60530	1.0
59.32930	0.9
63.11558	0.8
66.39189	0.9
109.02806	1.5
110.92274	1.1
118.79466	1.1
132.95857	1.8
137.02325	1.6
144.27525	1.0
150.96846	1.4
171.09082	1.0
188.98378	2.4
212.09392	1.5
216.12619	1.5
217.13356	16.1
227.11775	13.5
230.10522	2.0
234.27448	1.1
235.14442	1.1
243.96680	6.4
244.12056	3.9
245.12842	46.5
246.13826	1.2
255.11235	2.1
263.13910	33.0
273.12433	9.5
277.08853	1.1
291.13364	100.0
309.02734	4.9
309.14423	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05233	0.5
53.60931	0.5
85.76829	0.5
95.08565	0.6
146.88957	0.7
212.09441	1.4
214.10835	1.0
216.12517	2.6
217.13344	12.6
227.11769	9.9
230.10464	1.3
235.14432	0.7
244.08414	0.9
244.11986	4.3
245.12834	41.3
248.11168	0.6
251.50879	0.7
255.11255	3.3
263.13907	28.0
273.12354	6.7
291.13379	100.0
309.14423	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28024	0.7
55.79431	0.7
56.69070	0.8
62.64637	0.7
63.32877	0.7
67.05502	1.4
67.12137	0.9
69.07047	1.4
80.48795	0.7
81.04674	0.8
82.06573	1.3
94.06551	0.8
95.04939	5.5
96.04485	10.6
97.06514	6.0
110.05291	1.1
110.06033	23.0
112.03968	1.1
112.07616	1.8
122.06038	1.3
123.04395	0.9
124.07570	4.9
125.05995	1.2
138.05510	19.1
138.09116	8.9
139.06277	1.3
140.07077	19.2
140.86580	0.8
142.08650	1.1
152.07014	7.3
154.08623	100.0
156.06586	7.5
164.07036	21.5
168.06525	1.6
176.07095	1.5
184.77432	0.9
188.10686	1.0
203.11681	0.9
204.10190	10.9
206.11577	0.9
218.11815	0.9
221.12712	0.8
228.10138	3.6
232.09642	1.8
236.09102	4.3
245.12802	1.8
246.11256	4.7
249.12405	9.7
264.12238	3.8
273.12302	3.4
274.10736	1.6
291.13300	7.7
292.11719	4.0
309.14410	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	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	0.6
55.05513	1.5
59.04977	0.6
69.03442	0.7
81.03429	5.5
83.08611	5.5
85.02888	0.8
86.49563	0.8
91.05480	1.1
103.89335	0.7
107.26016	0.7
109.02876	12.9
119.04895	6.1
119.08566	1.0
124.03959	5.7
127.03918	3.2
129.09163	5.9
147.04401	71.1
157.07571	0.7
165.05482	3.7
172.09871	0.8
177.05463	0.9
188.09442	3.0
198.08008	0.7
201.13869	1.5
216.08907	0.7
217.13326	17.7
221.09204	1.2
224.07423	1.4
227.11766	4.0
229.13274	1.4
231.11287	1.0
235.14363	1.3
239.67520	1.0
245.12839	91.5
263.08527	11.1
263.13892	26.7
268.08160	3.2
273.12335	8.4
274.66046	0.8
291.13370	38.9
309.09360	50.4
309.14459	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	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	0.6
55.05513	1.5
59.04977	0.6
69.03442	0.7
81.03429	5.5
83.08611	5.5
85.02888	0.8
86.49563	0.8
91.05480	1.1
103.89335	0.7
107.26016	0.7
109.02876	12.9
119.04895	6.1
119.08566	1.0
124.03959	5.7
127.03918	3.2
129.09163	5.9
147.04401	71.1
157.07571	0.7
165.05482	3.7
172.09871	0.8
177.05463	0.9
188.09442	3.0
198.08008	0.7
201.13869	1.5
216.08907	0.7
217.13326	17.7
221.09204	1.2
224.07423	1.4
227.11766	4.0
229.13274	1.4
231.11287	1.0
235.14363	1.3
239.67520	1.0
245.12839	91.5
263.08527	11.1
263.13892	26.7
268.08160	3.2
273.12335	8.4
274.66046	0.8
291.13370	38.9
309.09360	50.4
309.14459	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	309.1484
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
52.69898	0.8
61.50591	0.7
64.40118	0.6
65.59184	0.7
66.56573	0.8
67.05500	0.7
69.03423	1.1
85.44650	0.9
93.07027	1.4
101.54992	0.8
105.07012	4.3
107.08569	1.0
119.04836	1.1
119.08568	3.3
121.06498	1.3
125.68110	0.9
129.06935	1.3
131.08594	2.8
133.06441	3.7
133.10062	1.0
135.08014	1.5
143.08501	2.6
145.06488	2.0
147.08029	1.7
147.66837	0.8
149.05972	1.6
149.09526	1.3
155.08444	1.0
159.08049	5.3
160.68399	0.8
161.05945	1.5
169.10121	3.0
171.07999	1.1
173.05931	1.6
173.09589	1.0
179.08505	0.8
181.10091	1.7
183.11618	1.1
185.09641	1.1
193.10120	3.8
195.11700	1.5
197.09689	2.0
205.10156	2.0
206.10893	3.7
207.11694	5.3
209.09573	3.6
209.13318	1.8
210.10362	1.3
211.11177	3.6
213.09056	1.1
220.12436	3.4
221.09583	1.8
221.13235	2.0
222.10368	0.8
223.11116	6.6
224.11998	1.5
225.09050	4.4
225.12747	1.7
225.16243	1.0
225.51962	1.1
230.10934	1.8
233.09634	3.1
234.10298	1.4
235.11197	1.9
235.14806	4.6
237.12704	5.6
238.13509	3.4
239.10608	3.6
239.14285	5.0
245.13211	1.9
248.11877	7.4
249.12735	4.4
251.10635	3.9
253.12294	1.2
253.15846	4.6
263.14313	10.6
265.12204	5.3
266.13049	2.0
267.10773	0.9
267.13858	8.1
276.11450	1.8
279.13803	1.0
280.14658	1.0
281.15338	14.0
284.98874	0.9
291.13733	12.1
294.12531	1.3
309.14813	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	309.1486
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
50.19438	0.8
52.13183	0.8
79.01621	0.8
79.05505	1.3
90.33807	0.9
91.05475	1.9
93.07038	1.3
95.08616	1.8
102.21477	0.9
105.07011	1.9
119.08528	1.6
121.06500	1.5
128.06195	1.6
129.07031	1.1
131.08549	1.3
133.06459	2.0
133.41295	1.0
135.08043	1.0
141.07077	1.2
143.08574	1.2
145.06439	1.8
147.08067	1.2
149.05986	0.9
154.61848	0.8
159.08064	2.2
171.08022	1.2
173.09612	1.7
175.07469	1.3
177.09074	1.0
179.08559	2.1
181.10091	2.1
183.07986	1.2
187.07478	1.2
193.10156	4.3
195.11772	2.2
197.09595	3.5
205.10162	3.5
206.10858	1.9
207.11696	4.1
208.08873	1.4
209.09653	4.4
209.13254	1.8
210.10393	1.1
211.11148	2.1
219.08160	1.0
219.11522	1.2
220.12509	5.2
221.09689	2.0
221.13261	2.2
222.10309	1.0
223.11179	4.7
225.09068	2.2
225.12729	1.2
227.10634	1.7
230.10980	1.4
233.09613	1.5
234.10349	1.5
235.11093	1.6
235.14821	4.9
237.12758	5.2
239.10565	1.4
239.14391	2.2
245.13274	1.6
247.11131	1.2
248.11891	7.7
249.12773	5.0
250.13606	1.2
251.10626	1.9
251.14394	1.9
253.12209	1.2
263.14276	14.3
265.12219	3.3
266.12851	1.8
267.13766	5.8
273.12878	1.1
276.11249	1.5
276.28122	1.0
276.31143	1.0
279.10300	1.0
279.13812	5.4
281.15308	9.7
291.13797	12.4
291.35620	0.9
294.12534	1.7
309.14850	100.0
309.24277	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	309.1485
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
67.05503	1.1
69.03421	1.4
78.87457	0.7
79.05504	1.0
81.07027	1.2
88.77793	0.8
91.05460	1.4
93.07041	1.0
95.04956	0.9
105.07025	1.8
107.08514	1.1
107.56515	0.8
121.06520	1.7
129.06996	1.2
131.08556	3.3
133.06467	1.2
133.10080	1.5
141.06935	0.8
143.08572	1.1
145.06459	1.6
147.08052	1.8
155.08566	1.8
157.10092	1.0
159.08028	3.5
159.50478	0.8
161.05899	1.1
161.09563	1.7
167.08524	1.4
169.10115	1.3
171.11690	0.9
173.09651	1.2
179.08586	3.0
179.99571	0.8
181.10110	3.7
182.07230	0.9
183.11610	1.2
184.09021	0.8
185.09680	1.8
192.09335	1.3
193.10123	4.4
195.08041	1.2
195.11655	3.2
197.09531	1.6
204.09036	0.8
205.10100	1.9
206.10905	3.4
207.11772	3.8
208.08847	1.0
209.09641	3.6
209.13312	0.9
210.10474	1.2
211.11169	6.5
217.10010	1.0
219.07990	0.9
219.11665	1.8
220.12453	5.1
221.09584	1.5
221.13269	3.9
222.10446	1.6
223.11089	5.7
225.09178	1.7
225.12691	1.8
230.10970	1.9
233.09645	4.0
234.10449	3.4
235.11191	3.3
235.14723	6.4
236.12004	1.5
237.12743	7.9
238.13387	1.2
239.10605	3.7
239.14381	1.7
245.13220	3.4
247.11143	3.6
248.11929	9.0
249.12735	5.4
250.13463	1.0
251.10625	3.9
251.14502	2.8
253.15881	1.1
258.10254	0.9
261.12549	0.9
263.14331	14.4
265.12259	5.8
266.12967	3.0
267.13803	5.0
273.12857	1.0
276.11481	3.8
279.13782	4.1
281.15298	8.5
291.13773	11.1
294.12393	1.7
309.14847	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	309.1484
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
60.29631	1.1
69.03407	1.3
81.29668	1.1
91.05483	2.2
92.18493	2.6
96.79279	1.3
105.07022	2.1
112.76749	1.4
119.08578	2.2
121.06507	1.8
131.08527	1.4
133.06470	2.0
135.08067	1.6
143.08621	1.9
147.07947	1.6
149.05972	1.5
149.93066	1.2
153.46878	1.2
155.08466	1.8
157.10074	2.1
159.08121	4.4
169.10083	2.4
173.05884	1.5
179.08420	2.6
181.10085	2.3
182.07446	1.3
183.11673	2.1
185.09529	1.7
187.07539	2.4
189.51787	1.3
193.10117	6.0
194.11092	1.6
195.08058	2.3
195.11684	2.6
197.09651	1.8
205.09943	2.5
206.10855	2.0
207.11685	5.3
209.09613	5.9
211.11159	4.9
220.12637	4.3
221.13199	4.8
222.10413	2.5
223.11205	6.9
225.09172	2.2
225.12854	1.7
230.10844	4.9
233.09651	1.9
234.10402	2.1
235.11205	2.2
235.14803	6.4
237.12788	6.9
238.13449	1.5
239.10616	1.6
239.14426	1.6
245.13231	6.2
247.11003	1.8
248.12009	5.9
249.12668	5.1
251.10599	2.4
253.15788	1.7
263.14270	16.1
265.12198	7.1
266.12991	2.1
267.13715	3.2
276.11383	2.5
281.15387	10.6
291.13730	10.4
294.12448	1.5
309.14828	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	309.1485
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
51.73610	0.6
57.91357	0.6
58.77814	0.7
67.05495	1.2
69.03418	2.8
78.55134	0.7
79.05483	1.3
81.03410	1.0
81.07057	1.2
91.05498	1.6
93.07030	0.9
93.32955	0.8
95.08591	0.8
98.51849	0.7
101.33784	0.7
105.07014	3.5
107.08530	0.9
109.06501	0.9
116.25978	0.7
119.04962	0.9
119.08522	1.5
121.06489	1.8
123.08055	0.9
127.68649	0.8
128.06261	0.7
129.06979	0.8
131.08562	3.2
133.06523	0.7
133.10136	3.1
135.08044	1.1
143.08548	2.9
145.06468	1.4
145.10074	1.5
147.07999	1.5
155.08572	1.0
157.10033	0.8
159.08043	3.2
161.05931	1.1
161.09647	0.8
169.10109	1.2
171.07982	1.6
173.05905	1.1
173.09610	1.2
175.07515	0.9
179.08517	1.2
181.10162	1.7
183.08049	0.9
183.11575	1.4
185.09677	0.9
187.07504	0.9
193.10135	3.2
194.10817	1.4
195.08076	1.2
195.11620	3.7
196.08705	0.9
197.09666	3.2
199.11200	1.1
205.10168	3.6
206.10875	1.7
207.11656	4.3
208.08632	0.8
209.09659	5.5
209.13232	1.4
210.10435	0.9
211.11194	4.9
219.11679	3.5
220.12497	5.1
221.09583	2.8
221.13246	4.0
222.10434	3.0
223.11121	5.6
223.14713	1.0
225.09056	1.3
225.12735	3.5
227.10596	1.3
230.10947	1.7
232.08832	0.8
232.12502	0.9
233.09639	4.7
234.10449	1.6
235.11162	3.1
235.14732	6.7
236.11928	0.7
237.12752	7.1
238.13425	1.1
239.10663	1.5
239.14240	2.9
245.13219	4.4
247.11127	2.7
248.11989	7.6
249.12752	6.7
250.13513	1.0
251.10597	1.7
251.14290	1.2
253.08635	1.1
253.12196	0.9
253.15814	1.7
258.91971	0.7
261.08981	1.4
261.12717	0.8
263.14310	16.3
265.12238	5.8
266.13043	4.0
267.10056	1.0
267.13855	5.8
273.12659	0.9
276.11395	4.7
279.10394	0.7
279.13773	3.2
280.14670	0.7
281.15332	9.3
291.13773	11.0
294.12485	1.4
309.14825	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	309.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50323	1.4
65.33366	1.6
67.27743	1.8
69.07076	2.1
69.37569	1.4
71.43459	1.4
79.05480	2.2
81.07052	2.6
85.06577	2.2
91.05436	2.2
92.57576	1.7
93.07018	2.5
95.08624	2.5
96.59269	1.5
105.07056	12.1
107.08618	3.4
109.06468	1.7
117.06966	2.0
119.08546	3.8
121.06478	17.5
121.10178	1.5
128.06186	2.0
129.06947	2.4
131.08562	3.1
133.10135	6.0
135.08044	2.7
143.08568	8.0
143.85284	1.7
147.08060	6.0
150.85799	1.6
151.12952	1.6
157.10100	9.5
159.08046	3.9
159.11678	10.5
161.09596	3.8
167.08633	2.1
169.10158	2.5
173.09727	1.8
175.11243	1.7
178.07780	2.2
179.08525	3.2
183.11714	7.1
192.09328	14.2
193.10153	12.8
194.10847	3.0
195.11665	2.9
197.09656	2.9
197.13214	2.0
206.10890	6.7
207.11690	27.5
209.13245	2.1
210.10422	1.8
211.11182	15.5
211.14758	1.7
219.11708	6.1
220.12466	3.3
221.13260	6.7
223.11224	2.0
223.14760	2.2
224.12062	1.9
225.12675	12.7
234.14029	7.9
235.14977	2.3
239.14391	2.2
249.12773	1.7
249.16374	37.5
251.14362	2.3
252.15074	2.8
263.14334	2.8
267.17432	44.1
281.15536	1.9
309.14825	27.4
309.18484	100.0
309.24194	3.2
334.10928	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	309.2058
Annotation	Albocycline
Peak:m/z	Relative Intensity
54.31038	1.5
55.01870	2.6
55.05521	2.0
57.03445	20.9
58.33331	1.6
61.66292	1.7
67.05506	17.6
71.76022	1.8
79.05484	11.2
81.03505	2.0
81.07034	11.1
83.08586	2.2
85.06551	30.2
91.05463	9.4
93.07029	8.3
95.04962	37.2
95.08585	3.6
97.06504	2.0
103.04908	1.9
105.07011	3.9
107.08573	10.1
109.06512	28.5
113.05997	100.0
114.92522	1.8
117.07005	2.8
119.08561	3.3
121.10062	2.9
124.61412	1.9
125.05978	3.8
129.07069	2.3
131.08554	10.5
133.06511	2.2
133.10112	3.5
135.08037	35.8
143.08456	2.4
145.10110	4.0
147.08060	2.3
161.09668	2.9
169.10126	2.3
169.84550	2.1
177.91393	1.8
190.74350	2.1
190.90050	2.1
195.11664	2.4
217.15849	4.8
217.20369	2.0
227.55768	2.1
230.40218	2.1
249.12775	2.4
265.56418	2.0
273.18427	17.6
291.19516	76.8
309.14740	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05500	2.4
57.03430	4.6
59.98792	1.1
67.05495	5.1
69.03434	2.7
69.07054	2.2
71.04972	4.8
71.30236	1.1
79.05486	2.1
81.03400	1.9
81.07036	7.1
83.04971	6.8
83.08624	4.9
85.02885	1.9
85.06533	6.4
91.05460	2.4
93.07009	7.5
94.87079	1.2
95.04953	6.0
95.08609	10.5
97.06503	1.3
98.97589	2.4
105.07018	4.7
106.98372	1.1
107.04929	1.8
107.08592	12.3
109.02924	3.5
109.06508	2.5
109.10148	8.9
111.08068	6.8
113.05984	6.5
119.08549	7.2
121.06472	6.2
121.10141	9.6
123.04436	17.0
125.09631	2.7
127.03837	1.4
127.07554	1.9
129.09097	1.8
131.08592	1.4
133.06468	2.1
133.10097	6.3
135.08087	10.0
135.11700	2.2
137.05901	1.9
137.09573	5.3
139.03929	9.8
141.05423	5.0
143.08488	1.3
145.10085	1.6
147.04404	5.0
147.07973	2.7
147.11668	7.3
149.05981	2.2
149.09616	7.6
153.09064	5.4
157.10069	1.6
159.11742	1.9
161.09581	4.8
161.13205	6.2
163.11169	1.7
165.09062	2.3
167.10657	2.5
171.11700	2.1
173.09596	1.6
175.11151	2.4
179.10648	15.6
187.14792	1.7
189.12749	7.5
191.14136	1.4
201.12807	2.1
203.14349	1.6
217.06456	1.4
217.12117	1.6
233.06157	1.3
234.06819	2.6
249.09088	22.0
262.06268	5.1
266.09521	1.2
273.18372	1.7
277.08603	47.6
281.11465	1.7
288.67731	1.2
291.19553	8.8
294.08728	2.6
309.07504	27.3
309.11121	31.1
309.17245	3.3
309.20575	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	309.2423
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.20471	0.8
55.05522	7.1
57.07071	1.4
59.04982	0.9
67.05491	4.2
69.07069	10.5
71.08319	1.0
71.08637	14.8
79.05489	5.1
81.07065	16.4
83.04949	1.0
83.08606	4.6
91.05418	1.4
93.07040	14.3
95.08601	14.2
97.06512	5.8
97.10136	4.6
99.08086	6.2
105.07014	4.9
107.08577	11.3
109.06516	6.4
109.10144	6.9
117.07085	0.9
117.41331	0.9
119.08542	4.6
121.10139	6.3
123.08039	1.8
133.10066	2.1
135.11639	1.6
137.09578	1.5
147.11650	1.4
149.13243	2.1
151.11105	1.6
153.12785	1.7
163.14714	1.5
165.12711	9.8
175.14755	1.5
184.00063	0.9
193.15814	1.6
235.16957	1.5
286.80408	0.9
291.23148	15.0
309.24203	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	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03960	2.3
55.01885	1.7
55.05284	2.4
55.05522	44.0
57.03428	2.9
57.07078	13.8
67.05180	1.7
67.05508	34.8
69.03419	2.2
69.06732	3.0
69.07074	55.1
71.04990	4.0
71.08617	9.8
79.05495	13.5
81.03411	2.4
81.07060	100.0
83.04976	18.3
83.08624	31.9
85.06542	2.2
86.41375	1.8
91.05484	14.1
93.07045	35.4
95.04975	8.4
95.08024	3.6
95.08607	95.9
97.06541	8.2
97.10162	16.3
99.08054	2.1
105.07034	25.2
107.08592	32.5
109.06507	4.1
109.10153	47.6
111.08038	6.3
111.11721	7.8
119.08578	16.5
121.10149	24.2
123.11691	19.4
125.09633	4.0
131.08617	2.1
133.10081	14.2
135.11673	15.2
136.33292	1.7
137.09586	4.6
137.13263	11.6
139.11125	2.4
147.11662	13.6
149.13246	8.4
151.11171	2.7
151.14771	2.6
161.13245	11.9
165.12689	3.7
169.10283	2.2
175.14844	3.9
217.19540	4.2
273.25787	12.2
291.19543	3.6
291.26709	14.8
309.14700	9.5
309.20370	11.0
309.27823	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87581	0.4
59.01748	0.4
69.03432	0.5
70.06580	1.2
71.38617	0.5
73.03596	0.4
77.71385	0.5
84.16696	0.5
86.00645	1.2
94.06567	4.6
95.03597	0.5
106.06575	2.0
110.06058	0.6
114.00082	0.5
116.01638	4.1
122.06022	4.8
129.78777	0.5
134.05978	0.9
140.07059	24.8
143.02736	20.9
143.03871	0.7
150.05498	100.0
152.07043	3.1
163.47018	0.5
164.07053	1.1
168.05197	0.6
168.06500	1.5
171.02206	24.8
184.04240	2.6
192.99405	0.7
203.74736	0.6
213.12292	1.0
225.06868	0.7
250.99944	1.9
284.82098	0.6
310.08499	56.1
310.17648	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	310.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67116	0.2
54.36075	0.2
55.29498	0.2
64.45953	0.2
71.93224	0.2
89.03899	1.8
117.03372	6.8
117.38160	0.2
135.04388	0.4
145.02840	57.3
147.04427	1.9
148.04730	1.3
149.05962	4.1
154.71143	0.2
163.03870	0.3
177.05453	100.0
203.07024	1.5
244.68208	0.2
274.10565	0.3
292.11786	3.1
310.09564	0.3
310.14847	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	310.092
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60983	0.3
89.03912	2.5
93.20879	0.3
96.81771	0.3
100.02184	0.5
103.54786	0.4
117.03362	8.7
133.83708	0.4
135.04407	0.4
145.02841	65.5
145.65302	0.4
146.02702	3.9
147.04395	1.3
148.04718	0.8
149.05951	3.6
177.05458	100.0
182.91101	0.4
208.02939	2.0
209.03082	2.3
223.72563	0.4
246.13107	0.4
310.08005	1.8
310.14746	5.7
324.44894	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	310.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
58.02953	1.3
69.85573	0.7
71.45045	0.7
73.15985	0.6
73.98810	0.7
86.06057	4.4
87.04467	8.0
91.04903	1.4
91.05476	42.5
93.03920	0.8
103.05461	1.2
114.05522	100.0
115.03922	44.0
119.04926	9.1
120.08112	5.0
132.08057	1.5
146.08110	22.5
152.36241	0.8
196.09711	8.3
250.17444	0.8
278.10129	8.8
292.11630	5.7
310.12469	3.3
310.15701	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	310.1285
Annotation	Sporovexin C
Peak:m/z	Relative Intensity
57.03428	3.0
69.03440	9.8
70.06577	1.8
71.04989	1.8
73.02904	2.3
79.05484	7.5
81.03429	2.7
84.04498	2.7
84.08143	2.8
85.02901	12.0
85.06497	2.5
86.06032	2.0
87.03197	6.3
91.05476	13.3
96.04499	5.4
97.02902	27.7
98.06030	1.4
99.04448	3.3
102.05564	5.7
103.05476	5.7
105.07031	2.7
107.04953	73.4
112.03960	9.0
113.05981	7.3
120.08102	44.4
124.03953	1.5
127.03919	14.6
130.06494	6.5
131.04903	2.1
131.07056	7.3
132.08087	41.2
136.06165	7.3
143.05771	7.4
144.06596	10.4
144.08090	3.2
145.04994	2.0
147.04402	1.5
149.05946	3.2
150.09033	1.6
156.08018	2.1
161.06848	7.1
162.07596	14.0
162.09093	5.5
166.08630	14.6
171.07945	2.7
174.09157	2.4
178.07257	2.3
178.08662	7.1
180.08775	1.5
183.87491	1.5
198.09093	7.0
202.08740	1.5
203.27066	1.7
210.09035	1.8
228.10304	1.7
244.09680	2.8
246.11293	12.1
264.12286	25.4
282.13409	2.8
292.11716	32.4
292.14520	2.0
310.02933	2.6
310.12866	100.0
310.16534	3.4
330.73514	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	310.1471
Annotation	SB 218655
Peak:m/z	Relative Intensity
56.73780	0.5
58.99585	2.6
66.36266	0.6
67.20646	0.5
73.01409	0.6
83.08611	0.9
85.40114	0.7
86.99033	2.4
89.15282	0.5
99.93218	0.5
100.02204	22.2
105.00082	8.7
105.07030	0.7
109.16637	0.7
113.28914	0.6
124.52776	0.6
125.79108	0.6
144.01166	0.8
145.02858	8.5
146.02705	90.3
177.05449	13.0
201.05811	0.6
209.03148	1.1
223.76434	0.5
246.13139	7.6
250.38800	0.6
264.14145	3.7
292.13281	1.9
310.14688	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	310.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38931	0.3
51.93219	0.2
60.04523	0.5
62.40753	0.2
68.46757	0.3
69.03430	0.3
71.58498	0.3
73.21381	0.3
84.08118	0.5
85.02839	0.3
120.08124	1.9
122.09724	0.3
136.06174	7.8
166.08601	1.8
200.12532	0.6
203.11362	0.3
204.08618	0.5
212.06987	1.1
212.09196	0.5
213.09744	2.4
215.11346	0.4
216.12190	0.5
217.13126	2.8
218.13684	10.6
223.10675	0.6
227.11710	0.5
228.12115	11.1
230.87483	0.3
231.10735	2.1
231.26109	0.3
236.14670	0.4
240.06441	0.5
244.08138	0.3
245.08693	1.1
245.12634	5.9
246.13162	37.5
249.11928	0.3
254.08060	4.0
256.11588	3.1
258.07523	1.2
259.10294	1.7
263.13864	1.7
264.14215	26.8
268.06000	17.3
274.12683	7.6
277.11124	0.4
282.07538	4.1
286.07074	3.6
292.13681	100.0
292.92865	0.3
310.07062	19.7
310.14737	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38931	0.3
51.93219	0.2
60.04523	0.5
62.40753	0.2
68.46757	0.3
69.03430	0.3
71.58498	0.3
73.21381	0.3
84.08118	0.5
85.02839	0.3
120.08124	1.9
122.09724	0.3
136.06174	7.8
166.08601	1.8
200.12532	0.6
203.11362	0.3
204.08618	0.5
212.06987	1.1
212.09196	0.5
213.09744	2.4
215.11346	0.4
216.12190	0.5
217.13126	2.8
218.13684	10.6
223.10675	0.6
227.11710	0.5
228.12115	11.1
230.87483	0.3
231.10735	2.1
231.26109	0.3
236.14670	0.4
240.06441	0.5
244.08138	0.3
245.08693	1.1
245.12634	5.9
246.13162	37.5
249.11928	0.3
254.08060	4.0
256.11588	3.1
258.07523	1.2
259.10294	1.7
263.13864	1.7
264.14215	26.8
268.06000	17.3
274.12683	7.6
277.11124	0.4
282.07538	4.1
286.07074	3.6
292.13681	100.0
292.92865	0.3
310.07062	19.7
310.14737	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3104
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
51.43812	0.4
53.88512	0.4
57.07061	0.4
71.08628	0.5
72.07782	0.6
72.08154	10.9
142.12241	1.1
302.94211	0.5
310.31015	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	310.3103
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
51.29989	1.6
51.42382	1.6
53.79822	1.8
55.05526	14.7
55.37971	2.1
56.28387	1.7
56.95488	1.8
57.03412	1.9
57.07084	21.9
67.05486	10.2
69.07072	44.4
69.07435	3.8
69.55882	1.8
71.08641	14.3
71.67168	2.1
79.05470	2.3
79.78923	2.0
81.07063	17.2
83.08622	35.6
85.10181	10.4
86.06045	4.5
93.07019	9.3
95.08598	21.4
97.06491	9.6
97.10151	36.0
99.97392	1.9
100.07570	10.5
100.94743	1.9
107.08585	4.5
109.10133	11.9
111.08105	6.6
111.11732	8.8
114.09141	9.2
121.10133	13.3
125.09602	3.2
135.11678	12.2
149.13260	7.0
163.14856	2.8
275.27338	12.6
293.28473	18.4
310.31024	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	310.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71753	1.7
57.07071	4.1
63.14648	1.4
69.07051	3.7
71.08616	2.1
72.04129	3.2
72.04512	61.6
83.08598	3.6
95.08584	2.5
97.10120	2.4
114.09133	12.0
128.10693	6.6
142.12297	2.8
155.77257	2.2
165.40596	1.7
209.92233	1.7
219.21304	1.7
310.17651	8.2
310.31024	100.0
310.34683	3.3
334.90240	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	311.0652
Annotation	3beta-Hydroxyaplysin
Peak:m/z	Relative Intensity
53.15523	0.8
56.96564	7.8
78.17786	1.0
79.21645	0.9
84.96010	5.1
85.78083	0.8
97.96809	1.4
98.96932	2.0
98.97581	45.9
110.97537	3.6
112.99129	4.2
116.98605	17.5
118.08633	1.1
124.99084	5.5
128.98561	4.4
131.00148	10.0
134.99632	5.0
139.00645	1.9
140.98566	4.3
143.00140	15.1
146.99660	1.4
149.01221	2.3
155.00177	1.5
157.01720	9.4
158.99629	10.5
161.01216	5.8
164.89708	1.0
170.99539	1.1
173.01218	10.6
175.02751	5.0
177.00699	2.3
185.58508	1.0
189.00648	1.3
191.02267	5.0
201.00656	3.9
205.03810	1.4
215.02232	1.6
219.01788	2.2
233.03258	14.2
251.04364	77.4
269.05423	98.5
272.53076	1.0
274.06012	1.1
274.78250	1.1
274.97562	6.6
278.81851	1.1
287.06491	10.1
292.98654	3.5
293.05389	70.2
311.06485	100.0
311.12247	3.2
311.16022	1.6
329.07532	2.0
334.07980	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	311.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52805	1.1
50.64284	1.0
53.05999	0.9
55.01855	1.6
57.03434	7.8
59.59915	1.0
61.02926	1.6
69.03429	20.6
71.01335	1.2
71.04987	1.6
73.02917	2.8
81.03411	7.0
81.04538	7.1
85.02902	13.1
91.05499	1.3
97.02886	17.1
103.03923	2.0
103.05446	1.9
107.04945	5.5
109.02872	1.4
115.03924	5.4
119.04952	6.6
122.07169	13.2
127.03929	12.2
129.05481	2.2
131.04921	7.9
133.06572	1.3
135.04428	1.7
137.05971	46.8
145.04997	1.3
145.06439	2.4
147.04422	10.3
148.06331	1.8
149.06017	8.4
151.03938	2.3
151.07520	3.0
159.04462	2.8
160.05234	1.4
161.06007	4.0
161.07094	100.0
163.07530	6.7
167.07048	1.9
169.06523	2.5
172.04178	10.1
174.07874	5.4
175.07512	9.5
175.08813	2.6
176.04707	2.0
177.05446	23.8
179.07042	9.4
187.07541	5.1
191.06834	19.3
191.08463	2.4
197.06032	6.3
201.10356	19.3
203.06865	8.9
206.62077	1.2
211.08757	2.0
215.07024	6.2
221.08061	2.1
225.05460	1.6
229.09575	7.5
233.08087	5.9
239.08171	2.7
245.09200	27.8
251.04305	2.6
257.09265	30.6
275.10306	20.8
293.05219	1.5
293.11288	31.3
311.06259	2.1
311.11899	18.5
311.16101	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	311.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
62.61042	0.7
69.03414	4.8
70.32819	0.6
70.94836	0.8
73.57927	0.8
81.03402	1.7
81.04531	1.1
84.08124	1.2
85.02888	5.1
91.05457	1.3
97.02883	6.2
113.09625	0.9
119.04900	1.3
122.07157	1.4
122.74507	0.8
123.04312	0.7
127.03886	3.3
129.05518	1.1
133.03947	0.7
133.07613	0.9
136.06152	0.7
137.05980	12.3
137.48459	0.8
147.04405	4.7
148.06343	3.5
149.05972	3.0
149.07100	1.1
151.03931	1.6
161.07086	100.0
163.07558	1.2
169.06454	1.6
173.07077	1.4
174.07852	3.2
175.08644	4.2
176.04790	0.9
177.05464	8.4
179.06967	3.1
189.06610	1.7
191.06764	2.4
191.08394	5.5
201.10237	16.6
221.06868	0.7
221.28395	0.7
227.08159	3.6
229.09987	6.7
239.08151	4.8
245.09193	19.8
246.14105	0.7
251.04237	1.1
257.09201	27.7
275.10233	17.0
293.11276	27.4
311.06628	1.5
311.12256	11.4
311.16022	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	311.1277
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
54.89309	0.8
64.03835	0.9
79.05475	1.8
81.07071	1.1
91.05448	1.4
93.07048	1.2
94.04206	1.1
105.07019	5.7
107.04948	1.3
109.06528	6.1
114.68829	1.3
114.78290	0.9
119.08573	1.1
121.06464	1.1
121.10130	1.8
122.03622	1.4
129.06999	1.8
131.04971	1.4
133.06465	7.3
133.10085	1.1
137.05974	74.3
147.08109	1.3
149.05989	7.0
155.04921	5.1
155.08557	1.1
156.05676	1.3
157.10120	1.4
159.08032	11.6
161.05931	11.5
167.07065	1.0
171.11748	1.3
175.07512	4.6
181.10104	1.4
187.07527	22.3
190.07860	1.5
191.08534	28.3
191.10147	1.7
195.11684	1.6
197.13379	0.9
199.11261	2.0
203.08588	1.7
207.08022	1.3
207.11684	2.0
208.08775	1.5
209.09702	2.0
209.13332	1.4
218.07312	7.3
219.08032	49.7
220.08817	6.2
223.11319	4.1
232.12515	1.2
233.09645	1.8
235.07440	1.5
236.08293	11.3
247.07474	22.8
247.14906	1.5
248.08316	5.3
249.05780	1.1
251.10632	72.2
253.08580	1.0
255.10181	1.0
261.09113	4.0
264.07892	9.4
265.08658	4.5
265.15833	2.0
268.11005	1.1
279.10156	56.2
280.10980	4.9
281.08078	11.6
283.09933	1.0
283.12866	1.1
293.08047	6.5
293.15317	1.7
296.10452	8.7
311.09317	4.8
311.12766	100.0
311.16394	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55424	0.6
63.30123	0.7
81.05788	1.0
81.07078	1.4
89.55340	0.7
96.08137	8.8
121.06473	1.2
124.07581	100.0
125.05936	1.1
137.05946	1.7
138.09116	1.4
142.05074	1.0
149.05934	0.9
149.09457	0.7
157.96384	0.9
172.06030	4.2
188.09177	6.8
188.10609	0.9
223.11169	0.8
224.95239	0.8
246.36139	0.7
250.09753	0.8
251.14128	1.4
280.10818	1.0
281.08139	0.7
283.16983	1.1
293.15329	1.5
295.09662	1.2
296.10379	6.8
311.12720	21.0
311.16098	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27801	0.4
67.05508	0.5
79.05502	0.8
81.05784	0.5
81.07069	0.8
87.27580	0.4
90.18083	0.5
96.08121	7.7
101.16355	0.5
107.04928	0.9
109.06508	0.5
110.06016	3.0
124.07583	100.0
133.06500	0.8
137.05974	8.0
144.06535	0.5
152.07063	0.9
161.05942	1.0
170.08139	0.8
172.06064	1.0
187.07599	0.9
191.08592	0.6
206.11804	0.8
219.08044	2.1
230.11784	5.3
236.08398	0.5
244.12044	2.5
245.12828	0.8
251.10590	3.3
257.13016	0.7
258.11087	0.6
267.10376	0.8
275.13843	5.9
276.12344	1.8
279.10080	3.5
283.09485	0.6
293.14893	1.0
311.15524	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45020	0.6
53.03237	0.6
63.22838	0.6
71.10455	0.8
77.46769	0.7
79.05486	1.4
81.07006	0.8
86.72404	0.6
96.08103	6.4
99.39626	0.7
106.06552	1.3
124.07586	100.0
133.10104	1.1
152.07060	4.9
170.08098	1.7
192.63474	0.9
195.11667	1.0
230.11725	9.9
258.11261	1.4
265.15906	0.9
275.13837	6.4
276.12131	1.1
283.16870	0.8
289.87790	0.8
293.15216	3.1
311.16058	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1641
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.01870	1.0
55.05509	0.8
69.03410	2.3
69.07079	1.9
71.04952	0.9
73.43787	0.8
79.05480	1.1
81.07034	1.6
84.39518	0.9
91.05437	1.9
93.07024	4.3
95.04989	1.7
95.08562	1.1
97.06562	1.0
105.07022	4.1
107.08562	3.6
109.06521	1.2
115.12818	1.0
117.06992	1.8
119.08582	5.2
121.06484	2.3
123.08072	1.4
129.07037	1.0
131.08582	1.8
133.06485	3.5
133.10104	1.9
135.08063	4.5
137.05934	3.9
143.08537	3.9
145.06505	1.9
145.10121	4.4
147.08025	2.2
147.11687	1.1
149.09628	3.9
154.07593	0.9
155.08580	2.3
157.10078	4.6
159.08051	5.5
159.11575	0.9
161.09579	7.3
165.06721	1.1
166.07706	1.3
167.08525	1.3
169.10112	2.0
171.08022	4.1
171.11664	2.3
173.09599	5.5
175.07529	1.9
175.11206	1.2
177.09033	1.0
179.08470	2.3
180.09161	1.2
181.10068	6.1
182.10910	1.5
183.11688	2.3
185.09660	4.3
187.07516	1.8
187.11107	1.6
189.09116	1.2
193.10109	3.7
194.10968	1.2
195.11601	8.5
196.12430	1.0
197.09633	4.7
197.13295	5.3
199.11176	4.5
205.10074	1.3
207.11688	4.0
208.08865	1.3
208.12468	1.8
209.09599	5.1
209.13286	4.6
210.10327	1.8
211.07364	1.1
211.11212	5.8
213.09239	1.5
213.12659	4.1
217.10107	1.2
219.07910	1.5
221.13248	2.2
222.10461	1.6
222.14040	1.5
223.11267	10.0
223.14816	5.8
224.11981	1.7
225.12708	6.6
227.10629	4.2
227.14386	1.7
232.12538	2.1
234.10590	1.0
235.11232	3.6
235.14835	1.3
236.11929	2.3
237.12686	4.6
237.16328	5.2
238.13591	1.1
239.10562	1.5
239.14304	1.8
241.12233	3.7
241.15794	3.6
247.14775	5.7
249.12813	2.1
250.13528	4.1
251.10623	3.8
251.14255	7.2
253.15900	2.0
254.12810	1.1
260.11716	1.4
263.10831	1.4
263.14151	1.9
264.14633	1.1
265.15778	13.0
267.13730	5.9
269.11807	1.6
269.15366	3.7
275.14365	1.9
279.10321	2.1
281.15292	4.2
283.16895	6.6
293.15393	14.2
311.09451	2.5
311.12918	6.8
311.16397	100.0
311.19977	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	311.1638
Annotation	Myricarborin
Peak:m/z	Relative Intensity
50.35700	0.9
57.03425	1.4
57.78485	1.2
65.08054	1.2
66.12613	1.0
69.07050	1.6
74.28369	1.2
79.05469	1.6
81.07053	2.4
83.04919	1.4
91.05459	1.3
93.07021	5.5
95.04929	2.0
95.08576	2.3
105.06990	7.4
107.08581	2.1
109.06489	2.1
117.06982	2.8
119.08558	5.5
121.06487	4.7
123.08028	1.9
129.07014	1.8
131.08548	3.1
133.06496	4.9
133.10109	7.1
135.08009	1.6
143.08510	7.2
145.06538	2.4
145.10164	8.8
145.38251	1.3
147.08009	5.7
149.05934	1.7
149.09579	1.9
155.08543	1.6
155.95079	1.2
156.09317	1.6
157.10143	2.6
159.07983	5.3
161.09596	4.5
165.06944	1.5
167.08527	2.5
169.10071	2.4
171.08025	2.0
171.11674	4.9
173.09563	4.7
175.07462	1.5
175.11098	1.9
179.08603	1.5
181.10104	9.1
182.11005	1.5
183.11682	5.0
185.09592	5.2
187.11166	1.7
192.09418	1.7
193.10110	2.3
194.10866	2.3
195.11768	9.1
197.09628	5.5
199.11128	6.7
200.12018	2.7
207.11548	4.7
208.12457	2.2
209.09601	8.0
209.13229	5.2
210.10445	1.3
211.11072	5.4
213.09039	1.4
213.12717	5.1
213.16298	1.3
215.10623	1.7
219.11572	1.5
221.13182	2.2
222.13925	2.4
223.11089	6.3
223.14787	6.2
225.12712	4.8
227.10648	6.5
232.12378	2.1
235.10985	2.1
236.11931	1.6
237.08997	1.5
237.12784	1.9
237.16280	2.8
239.14293	2.5
241.12297	2.1
241.15735	2.0
247.14780	5.4
249.12628	1.5
251.10434	2.2
251.14293	4.9
253.12050	1.4
255.17409	3.1
260.11880	2.0
265.15802	12.2
267.13715	2.7
269.15475	4.5
275.14334	1.8
281.15283	1.7
283.16870	9.9
293.15335	16.0
311.16364	100.0
323.09515	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	311.1641
Annotation	Myricarborin
Peak:m/z	Relative Intensity
57.49865	0.8
64.83475	0.8
67.05502	2.1
69.03418	2.4
69.07059	1.9
69.44999	1.0
79.05511	1.2
81.07040	1.9
84.95996	0.8
91.05518	1.3
93.07030	4.3
95.04970	2.0
101.76941	1.0
104.04834	0.9
105.07021	4.3
107.08579	1.6
109.06524	2.2
117.07041	1.5
118.80189	0.9
121.06466	3.9
129.06960	1.3
131.08510	1.2
133.06464	4.1
133.10124	1.3
135.08052	3.9
137.06041	1.3
143.08575	2.2
145.10104	2.4
147.08052	1.8
152.49109	1.0
155.08549	2.4
157.10135	1.6
159.08052	4.4
159.82387	1.0
161.09587	4.8
167.08636	1.3
169.10117	4.0
171.08076	1.8
171.11650	1.8
173.09622	4.8
179.08569	1.9
180.09326	1.5
181.10110	4.8
183.07985	1.5
183.11720	1.6
185.09639	5.1
192.09364	1.1
193.10155	2.4
194.10950	1.4
195.07948	1.1
195.11728	5.7
197.09587	4.0
199.11148	5.1
207.11768	4.3
208.08943	1.5
209.09578	7.1
209.13281	4.1
210.10469	2.1
211.11078	6.9
213.12787	3.5
217.10170	1.4
218.10852	1.2
219.11873	1.4
221.09816	1.0
221.13275	4.1
222.10458	1.7
222.14174	1.0
223.11131	8.9
223.14815	4.7
225.12718	4.4
227.10614	1.9
227.14250	1.2
232.12508	1.8
233.13341	2.2
235.11017	1.2
237.12759	6.3
237.16386	1.9
238.28117	0.9
239.10594	3.9
239.14290	3.9
241.12213	2.0
241.15904	1.8
247.14845	1.9
248.12102	1.5
249.12805	3.9
250.13557	3.8
251.14314	8.1
253.12289	1.7
253.15752	1.0
255.17400	1.4
263.14380	1.7
265.16217	11.3
267.13751	4.1
269.11993	1.8
269.15378	5.6
275.14276	3.8
278.13193	1.3
281.15402	5.8
283.16940	7.9
293.15363	17.8
311.16431	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	311.164
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.05503	1.6
55.26875	1.0
67.05483	1.9
69.03407	1.4
79.05489	1.0
81.07046	2.6
83.04969	2.4
91.05443	2.4
92.18462	1.3
93.07019	5.8
95.04941	1.3
95.08559	5.5
95.34001	0.9
97.06513	1.7
105.07056	8.7
107.08582	5.8
109.06484	2.8
117.07004	1.3
119.08571	6.7
121.06475	5.3
121.10123	2.4
123.08044	6.4
129.07008	1.8
131.08533	2.7
133.06516	3.8
133.10094	4.7
135.07990	2.4
142.07721	1.9
143.08525	4.9
145.06470	1.9
145.10091	5.9
147.08061	5.2
149.05943	1.6
155.08530	2.3
157.10109	6.0
159.08031	4.6
161.05898	2.0
161.09563	2.3
167.08525	1.5
169.10109	4.4
171.08006	4.2
171.11746	2.1
173.09602	5.6
175.07513	1.5
178.30663	1.3
179.08502	2.5
180.98956	1.2
181.10071	8.4
183.08054	1.7
183.11583	2.1
185.09575	6.3
187.11070	2.8
192.09212	1.4
193.10149	4.5
194.10925	1.5
195.07927	1.3
195.11671	13.6
197.09566	7.3
197.13300	2.9
199.11157	4.2
205.10080	1.4
207.11647	5.7
208.08763	1.6
208.12399	4.7
209.09584	6.6
209.13252	4.9
210.10304	2.0
211.11113	4.4
213.09076	1.9
213.12715	2.7
215.10498	1.3
217.10185	1.7
219.11740	1.3
221.13147	1.5
223.11177	9.8
223.14784	8.1
225.09149	2.6
225.12675	5.5
227.10582	1.9
227.14317	2.3
230.11086	1.3
232.12404	2.7
235.11118	4.2
236.11852	2.4
237.12703	6.7
237.16377	2.5
239.10629	1.6
239.14191	5.2
241.12180	5.7
241.15968	1.8
247.14720	5.6
249.12616	1.6
250.13438	5.5
251.14256	5.8
253.12170	2.3
255.10062	1.3
255.13652	1.6
265.15918	14.2
267.13812	5.0
267.46902	1.3
269.11761	2.4
269.15295	5.0
275.14230	2.6
283.16882	9.9
293.15305	14.7
311.12540	6.9
311.16364	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	311.164
Annotation	Myricarborin
Peak:m/z	Relative Intensity
52.07223	1.0
54.53613	1.0
55.90546	1.1
58.55030	1.1
59.87227	1.1
60.36509	1.2
63.83249	1.3
69.03436	1.6
69.07046	2.2
79.05480	1.9
81.07066	1.9
83.04963	2.3
89.16000	1.2
91.05458	2.0
93.07026	6.1
95.04961	1.7
95.08582	2.5
105.06994	7.1
107.08615	1.7
109.06524	2.0
109.10079	1.3
111.08108	1.4
112.99207	1.3
117.06987	2.0
119.08545	6.0
121.06484	5.2
121.10145	1.2
123.08063	1.7
131.08557	4.8
133.10114	6.0
137.05936	1.5
143.08559	4.8
145.06451	2.0
145.10069	2.7
147.08017	1.9
149.05872	1.8
149.09538	1.6
155.08469	1.3
157.10118	4.9
159.08060	4.6
159.11751	1.6
161.09599	5.5
167.08502	1.3
169.10089	1.6
171.08043	2.7
171.11650	2.8
173.09558	1.6
179.08548	2.6
181.10103	6.1
183.11714	1.8
185.09669	2.7
185.13240	1.7
187.11162	1.7
193.10094	2.6
195.11691	10.2
197.09584	2.0
199.11189	7.7
200.11954	5.0
207.11618	1.5
208.12308	2.6
209.09607	6.4
209.13408	2.7
211.11172	4.7
213.12598	1.9
215.10748	1.3
218.10986	1.4
219.11633	1.4
221.09633	1.4
221.13248	2.3
222.14091	1.5
223.11211	2.8
223.14780	5.1
225.12700	2.9
227.10666	7.9
232.12381	3.0
235.11328	2.1
236.11929	1.8
237.12555	1.6
237.16325	2.2
239.14211	1.4
240.40176	1.2
247.14688	2.1
249.12730	2.8
250.13509	2.3
251.10585	1.5
251.14293	5.8
255.09988	2.1
255.17477	2.6
265.15771	10.1
267.13739	5.6
283.16901	9.0
291.67816	1.3
293.15359	14.4
311.16388	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	311.164
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.01860	1.6
55.05543	1.2
57.11639	1.0
75.20084	1.2
79.05489	1.2
82.81774	1.2
83.04420	1.2
83.54239	1.2
85.82822	1.3
95.08560	1.6
97.15249	1.3
105.06995	5.2
107.08558	1.4
119.08557	1.7
120.35535	1.2
127.33406	1.3
131.08571	1.7
133.06447	1.5
135.08032	2.0
147.08029	1.9
159.07892	1.4
171.07977	1.4
175.11157	1.3
177.09065	2.2
181.10074	2.1
183.08060	1.4
183.11656	1.6
190.06270	1.5
191.06747	1.7
193.10074	1.6
194.10747	1.6
195.08105	1.8
195.11694	6.5
197.13347	1.2
199.07533	2.3
205.08617	29.8
205.10451	1.9
208.08849	1.5
209.05954	2.0
209.09557	6.3
209.13271	2.0
211.11215	1.8
213.09229	1.4
216.60915	1.8
223.11153	18.4
223.14796	2.1
225.09132	1.5
225.12677	1.5
227.06938	2.8
227.10684	2.5
236.11966	1.4
241.12206	7.5
250.13586	2.1
251.10606	10.1
251.14247	5.4
253.08653	2.0
255.10196	1.3
255.17401	1.8
265.12302	1.7
265.15823	7.0
268.10892	5.8
269.11707	9.6
269.15326	5.9
278.12936	1.4
283.16953	6.6
293.15353	7.3
296.14023	2.3
311.13016	4.1
311.16373	100.0
311.19720	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	311.1641
Annotation	Myricarborin
Peak:m/z	Relative Intensity
51.59097	0.9
55.05523	0.9
57.07069	1.1
58.67911	0.8
67.05495	1.0
69.03423	2.1
69.07065	3.7
79.05455	1.1
81.07025	1.6
91.05466	2.0
93.07033	3.7
95.04971	2.0
95.08601	2.2
105.07039	6.8
107.08557	1.7
109.06515	2.1
116.05891	0.9
117.07025	1.6
119.08578	3.8
121.06488	5.4
121.10133	1.1
123.08030	1.7
125.75747	1.1
129.06964	1.4
131.08562	4.9
133.06496	8.3
133.10052	3.4
135.08002	1.7
143.08530	4.8
145.06436	2.2
145.10088	4.5
147.08006	1.6
149.09595	1.6
151.07585	1.1
151.60727	0.9
155.08524	2.1
157.10167	2.2
159.08046	4.1
159.11623	1.2
161.09604	8.9
163.07471	0.9
167.08589	1.4
169.10066	4.1
171.08003	2.1
171.11723	1.2
173.09605	5.0
175.07561	1.1
175.11150	1.3
179.08511	1.6
181.10164	5.8
183.08023	1.1
183.11609	3.8
185.09612	5.3
187.11169	1.9
189.09094	1.1
193.10149	4.7
194.10893	1.3
195.11746	8.8
197.09579	4.3
197.13242	1.6
199.11168	4.0
201.09163	1.4
207.11670	2.2
208.12320	1.7
209.09570	5.7
209.13286	2.2
211.11168	4.8
211.14845	1.1
213.09108	1.2
213.12759	1.3
219.11719	1.6
221.09683	1.0
221.13248	2.3
222.13872	1.0
223.11136	8.2
223.14786	5.4
225.09035	1.8
225.12708	2.3
227.10571	1.5
227.14166	1.3
228.11296	1.0
232.12546	1.5
235.11209	2.0
236.11888	1.5
237.12813	1.9
237.16408	2.0
239.14233	3.5
241.12097	1.7
241.15799	1.9
247.14787	3.6
249.12749	1.4
250.13446	1.7
251.10641	1.6
251.14308	7.2
253.12128	1.3
255.17500	1.6
260.11987	1.3
263.14243	1.5
265.15887	11.3
267.13776	4.6
269.11655	1.8
269.15338	4.8
269.91772	1.1
275.14157	1.8
278.13077	1.4
281.15091	1.2
283.16879	6.7
293.15353	8.1
311.16400	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	311.164
Annotation	Myricarborin
Peak:m/z	Relative Intensity
51.84892	0.8
53.65806	0.8
53.75935	0.7
61.89613	0.9
67.05499	1.2
69.03417	1.2
69.07064	1.6
71.01333	1.0
78.01787	0.9
78.85193	0.8
81.07018	2.0
93.07030	2.2
95.08598	1.8
99.21232	1.1
105.07019	5.0
107.08606	1.4
111.08049	1.3
117.06996	1.3
117.59648	0.9
119.08594	2.0
121.06529	1.7
123.08041	3.7
129.06937	1.1
131.08571	1.8
133.06476	3.5
133.10062	1.8
135.08093	1.6
143.08510	1.6
145.06459	1.4
145.10118	1.7
147.08058	2.2
149.09573	1.5
155.08521	2.1
156.09372	1.5
157.10063	2.2
159.08023	1.8
159.11678	1.1
159.82011	0.9
161.09607	3.7
167.08443	3.4
169.10110	4.1
171.08043	1.7
171.11638	1.6
173.09592	1.5
179.08609	1.3
180.09262	1.6
181.10086	6.0
182.10767	1.1
183.11629	3.3
183.47813	0.9
185.09596	2.3
187.11139	2.1
193.10110	4.3
194.10899	1.2
195.11710	6.8
196.12373	1.1
196.81618	1.2
197.09619	3.7
197.13211	3.9
199.11162	5.3
206.10861	1.5
207.11647	3.7
208.12486	3.3
209.09631	5.7
209.13223	4.9
210.10284	1.1
211.11206	3.8
213.09158	1.7
213.12735	3.8
215.10733	1.4
217.10175	2.0
218.10794	1.3
221.09724	1.4
221.13225	1.9
222.10376	1.7
222.14008	3.7
223.11133	5.7
223.14816	6.2
225.09174	1.1
225.12738	2.0
227.10622	5.5
229.35274	1.0
232.12392	1.2
233.13304	1.3
235.11253	1.7
236.11867	1.8
237.09169	1.7
237.12752	1.8
237.16370	3.9
239.14319	2.1
241.12134	3.4
241.15868	1.4
247.14813	3.9
249.12677	1.8
250.13568	3.7
251.10606	1.7
251.14343	3.7
253.12181	1.9
253.15704	1.1
255.13853	1.9
255.17354	1.4
265.15875	12.2
267.13708	1.4
269.15347	5.3
275.14203	1.7
281.15237	2.3
283.16971	8.7
293.15344	12.4
311.16379	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	311.1641
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
56.52309	1.4
60.86966	1.4
92.17944	2.5
107.08537	1.7
108.03680	1.6
109.06477	2.5
123.04406	3.8
126.43823	1.5
135.08026	3.2
141.44766	1.7
143.08591	2.6
147.04416	30.9
151.36951	1.8
159.08044	23.1
161.05872	2.0
163.07645	1.7
171.08015	2.6
181.10161	2.8
185.78352	1.7
189.09082	2.9
195.11673	8.3
199.11122	1.7
208.08817	6.6
209.09590	8.3
209.13199	2.2
223.11206	19.3
227.10564	2.2
236.08391	3.5
237.08990	2.8
241.12170	6.4
251.10643	27.3
254.09369	7.3
255.10176	12.6
265.15979	3.2
268.10938	27.1
269.08768	3.5
269.11694	86.1
283.17004	2.1
293.15381	9.4
296.14041	2.5
311.16382	100.0
311.19547	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	311.2005
Annotation	Longithorone B
Peak:m/z	Relative Intensity
55.05507	1.1
63.96188	0.7
66.83820	0.9
67.05500	1.6
68.79385	0.7
69.03437	1.2
69.07061	1.0
79.05492	1.6
81.07053	4.1
83.04978	1.3
89.80750	0.7
91.05469	1.7
93.07029	5.0
95.04950	1.0
95.08611	5.3
96.08128	0.8
97.06541	1.1
105.03377	0.9
105.07028	6.2
107.04931	0.9
107.08603	7.6
109.06494	1.9
109.10150	1.1
117.07041	1.6
119.08602	7.0
121.06519	1.8
121.10143	5.3
124.07584	6.8
129.07048	1.2
131.08560	4.4
133.06499	1.3
133.10144	4.8
135.08148	1.0
135.11705	1.1
136.29468	1.0
143.08594	5.9
145.06494	3.9
145.10124	7.8
147.08052	3.7
147.11674	3.5
149.09627	1.1
151.11205	1.0
155.08556	3.6
157.10123	5.1
159.08070	3.3
159.11696	6.1
161.09610	3.9
161.13148	1.3
167.08560	0.8
169.10103	3.8
171.08046	4.6
171.11714	7.1
173.09618	9.7
173.13258	5.3
175.07538	1.2
175.11270	1.5
179.08574	0.9
181.10098	4.2
182.07256	1.4
183.08047	1.7
183.11696	7.2
185.09573	3.2
185.13312	1.5
187.11165	10.0
189.09076	1.3
193.10025	2.2
194.10889	0.9
195.11674	7.7
196.12468	1.8
197.09622	7.9
197.13260	5.1
198.10118	0.8
199.11223	3.4
201.12764	3.4
205.10176	1.1
206.10904	1.1
207.11696	3.8
208.12421	1.1
209.09651	3.6
209.13194	7.3
210.10551	1.0
211.11211	6.2
211.14839	3.5
213.09023	0.8
213.12828	7.2
213.16406	1.7
215.14262	1.4
217.12172	1.1
221.13235	1.9
222.10449	1.2
222.14069	1.0
223.11220	6.3
223.14853	5.0
224.11983	0.9
225.12703	5.3
225.16315	1.3
227.14232	1.4
233.13281	1.3
235.11287	1.0
235.14827	2.9
237.12718	4.9
237.16444	5.3
238.13687	1.0
239.14307	7.7
240.15123	3.2
241.12306	3.2
241.15828	1.9
247.14693	1.2
249.12799	1.3
249.16360	1.1
250.13449	1.6
251.14294	1.8
251.17987	3.6
253.15880	13.2
255.13809	1.5
255.17427	1.1
265.16022	5.7
265.19473	5.1
267.13834	4.0
267.17441	0.9
269.18927	1.2
275.18005	1.8
278.16800	1.0
283.16968	6.9
283.20322	2.6
293.15356	5.0
293.18988	13.0
296.14407	1.8
296.17627	1.0
311.16397	58.3
311.20065	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	311.2006
Annotation	Longithorone B
Peak:m/z	Relative Intensity
55.05497	1.1
65.53397	0.5
67.05502	0.6
69.07056	0.5
72.90991	0.5
79.05479	1.2
81.07037	2.9
83.04961	0.6
83.08619	0.7
84.60586	0.6
89.82133	0.6
89.99753	0.5
91.05476	0.9
93.07046	4.3
95.04939	0.7
95.08592	4.8
97.06549	0.8
105.07017	3.0
107.04954	8.3
107.08577	3.1
109.06512	0.8
109.10165	0.9
110.11632	0.6
111.85460	0.5
117.07001	0.6
119.04919	0.5
119.08563	3.5
121.06485	1.0
121.10120	2.6
125.09611	1.4
131.08566	3.2
133.10101	3.3
135.08067	0.8
135.11667	0.6
137.05960	1.0
141.06903	0.7
143.08545	2.1
145.06454	0.7
145.10130	4.6
147.08043	1.3
155.08540	1.3
157.10075	3.3
159.08026	2.4
159.11748	5.7
161.09607	2.0
161.13251	0.9
169.10103	3.8
171.08026	2.4
171.11736	3.9
173.09621	5.6
173.13246	6.2
175.11116	1.1
179.08528	0.7
181.10094	2.7
183.11659	5.4
185.09677	1.3
185.13268	2.6
187.11172	7.8
189.09076	2.4
191.10661	1.0
195.11694	4.2
197.09636	1.0
197.13226	3.6
199.11151	1.2
199.14737	1.0
201.12773	2.4
205.04910	6.2
207.11693	0.9
209.13255	3.1
211.11159	2.9
211.14777	0.7
213.12737	3.1
213.16298	1.3
217.12201	0.8
223.11172	1.1
223.14815	4.3
225.12701	1.0
225.16319	1.3
227.10663	0.6
233.13234	1.4
235.14775	2.5
236.15601	0.8
237.12726	2.8
237.16277	4.5
238.13452	0.6
239.14400	0.7
241.12219	1.1
241.15791	3.0
249.12656	0.6
249.16359	1.0
251.14415	1.0
251.17920	3.2
253.15858	18.5
255.13831	1.2
264.14838	0.8
265.15878	2.5
265.19446	5.3
269.15488	0.8
269.18988	3.4
275.17899	2.7
278.79056	0.6
283.17065	0.7
283.20499	2.8
293.18985	11.9
296.17688	1.4
311.09372	6.3
311.20032	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	311.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19625	0.9
59.49713	0.9
63.40113	1.1
65.54440	1.0
67.05486	1.7
69.03432	1.3
79.05499	1.9
81.07056	5.1
91.05463	2.0
93.07030	5.8
95.04955	1.4
95.08587	2.4
97.06512	1.5
98.97588	1.4
105.07038	2.4
107.08605	4.9
109.06522	4.1
109.10149	1.5
119.08557	4.8
121.06549	2.2
121.10126	2.5
123.04416	1.5
125.09623	1.3
129.06981	1.4
131.04955	1.1
131.08539	6.1
133.10139	5.0
135.08008	1.7
135.11726	1.5
137.05969	19.2
143.08612	4.7
145.06491	2.0
145.10132	5.7
147.04419	2.0
147.08034	1.9
149.05954	1.4
149.09618	5.1
155.08582	1.6
157.10115	5.9
158.83942	1.2
159.08052	7.1
159.11662	5.8
161.05963	4.5
161.09529	1.2
161.65755	1.2
163.07539	1.5
167.08479	1.9
169.10106	4.5
171.08058	2.0
171.11670	5.5
173.09613	11.7
173.13264	5.4
175.07500	1.1
175.11188	1.5
181.10127	2.5
183.11722	2.4
185.09639	1.8
185.13203	2.3
187.07622	1.5
187.11183	8.2
191.08624	4.3
191.10771	1.1
193.10130	1.7
195.07991	1.3
195.11710	6.0
197.13264	1.4
199.11252	2.6
201.12839	4.3
207.11687	1.6
208.08958	1.5
209.09720	2.1
209.13242	6.1
211.11143	2.4
211.14787	1.4
213.12720	2.1
215.08865	1.0
215.60947	1.2
219.08054	11.3
219.11621	1.5
220.08684	1.3
223.11188	5.0
223.14847	4.6
224.11961	1.2
225.12805	2.2
227.10744	1.6
227.14265	2.4
233.09604	1.4
234.10190	1.0
235.14925	2.3
236.11908	1.1
237.09117	1.8
237.12686	2.1
237.16397	2.2
239.14247	1.4
239.17957	1.3
241.12094	1.3
241.15933	2.6
247.07536	6.4
249.12943	1.4
251.10643	14.4
251.14410	1.6
251.17990	1.5
253.15849	16.2
261.08960	1.3
264.07822	1.9
265.08682	1.3
265.15912	4.9
265.19479	4.9
268.10953	2.0
269.11777	6.1
269.19031	1.9
270.13193	1.2
279.10181	15.8
280.10977	1.4
281.08029	2.4
283.17047	4.0
283.20331	1.8
293.15662	2.5
293.19028	14.4
296.10538	2.6
311.09171	4.4
311.12744	36.4
311.16406	30.2
311.20071	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.54840	3.2
53.98814	2.7
55.05517	41.4
57.03419	2.9
67.05505	25.9
69.07045	12.4
69.28565	2.9
71.04991	4.9
79.05474	22.2
81.07068	24.4
81.07485	2.9
83.04964	14.9
83.08618	32.4
85.06563	2.9
91.05481	6.2
93.07052	26.6
95.04974	64.8
95.08585	20.2
97.10152	23.4
99.04481	5.9
105.07026	14.5
107.04932	4.6
107.08597	37.5
109.06532	5.8
109.10158	14.7
111.04458	46.8
111.08082	12.3
117.07040	5.3
119.08577	16.3
121.10123	23.3
125.09595	17.1
131.08557	20.4
131.50600	3.0
133.10129	16.7
135.08031	11.9
135.11703	17.9
143.08546	4.7
145.10129	25.7
147.11687	5.6
149.09607	44.7
153.12761	5.2
155.08463	3.9
157.10078	4.7
159.11678	4.2
161.09608	3.1
163.11198	38.2
173.09586	5.4
177.12675	3.4
181.12219	7.2
183.11623	2.9
187.07518	5.2
187.11147	3.6
189.11235	20.7
191.10611	6.0
195.11804	4.0
205.12228	4.6
209.09758	3.3
209.11713	5.1
211.13339	3.3
223.13261	50.4
269.11673	4.7
275.20084	56.1
283.17068	5.0
293.15378	4.1
293.21045	100.0
311.16367	66.1
311.22101	46.4
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
50.57444	7.0
55.05502	31.2
56.07115	5.5
57.07083	8.3
65.97915	7.5
67.05494	64.2
69.07057	46.6
71.21068	7.1
79.05473	34.9
81.07062	75.7
83.04973	6.9
83.08611	35.6
85.49866	6.5
86.01659	7.3
91.05477	30.6
93.07054	49.1
95.04963	7.9
95.08599	52.2
97.06490	11.9
97.10148	31.6
105.07016	29.3
107.04903	7.1
107.08597	64.1
109.06498	11.9
109.10148	54.9
114.64674	7.6
117.07017	10.9
119.08572	37.9
121.10138	42.2
123.08078	9.5
123.11696	10.5
125.09651	12.2
127.75417	8.1
131.08519	28.7
133.10100	46.0
135.11650	28.3
139.11209	8.6
145.10106	28.4
147.11668	15.0
149.09688	8.0
151.11267	8.1
161.13284	7.4
163.11154	10.9
209.04431	11.1
239.17928	7.6
257.18909	8.9
275.20090	100.0
293.21109	65.7
293.24207	11.3
311.12781	11.8
311.16394	85.9
311.22092	17.1
311.25546	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	311.2944
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
55.05509	62.4
57.07079	100.0
60.00296	12.1
66.14389	12.6
67.05508	26.4
69.07059	88.7
71.08626	84.6
81.07047	77.2
83.08613	76.3
85.10165	62.6
92.18608	22.3
93.07047	27.3
95.08604	63.8
97.06527	19.4
97.10152	64.2
107.08631	16.8
109.10151	31.5
111.11694	17.9
115.46458	13.3
121.10136	24.6
123.11678	18.6
125.09689	17.2
135.11679	73.2
149.13275	27.9
156.61034	13.5
275.27414	52.5
293.28387	18.0
327.25479	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	312.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26003	0.6
55.50763	0.5
56.52503	0.5
60.65850	0.5
62.01144	0.6
70.06589	0.8
76.13220	0.5
78.04613	0.6
79.05499	8.9
91.05485	1.1
105.07027	1.4
107.04955	100.0
108.05358	0.6
117.01830	8.6
118.06551	2.3
132.08089	24.9
146.04472	13.2
149.05975	6.7
161.39900	0.8
164.05537	27.4
178.08635	3.1
220.09721	1.2
252.08682	4.5
266.10181	8.7
312.10739	15.1
312.13989	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	312.1304
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
51.86561	0.4
53.37222	0.4
55.45357	0.4
61.08536	0.5
66.83496	0.3
70.06582	0.6
84.08128	1.0
96.20768	0.5
106.65715	0.4
107.04961	6.3
115.07523	1.6
131.04930	2.9
132.08055	2.0
164.05486	0.8
173.38828	0.4
180.08795	100.0
194.61003	0.4
200.01280	0.5
236.68842	0.5
241.04224	0.4
261.02972	0.4
312.13843	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	312.3259
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
50.03813	2.4
60.16771	2.5
71.42069	2.2
100.98810	2.8
146.40565	2.9
199.62688	3.3
209.31535	3.2
220.20210	2.9
224.18112	3.0
250.48686	2.8
312.16476	3.7
312.32593	100.0
312.36194	9.9
313.82733	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	312.3259
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07061	5.0
71.08598	0.8
74.09698	1.8
74.27197	0.8
79.61133	0.8
84.62292	0.8
88.07629	8.0
102.09148	3.9
108.24318	1.1
109.42352	0.8
116.10761	0.9
147.03195	1.0
256.26334	41.1
312.32590	100.0
312.35767	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	312.3261
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07072	1.1
57.08982	0.4
57.16963	0.5
57.97069	0.5
59.72842	0.5
62.52877	0.4
71.08623	1.2
72.04516	1.1
102.09160	0.8
110.95019	0.5
116.10732	2.7
125.45596	0.5
126.84684	0.5
130.12299	0.8
222.68045	0.6
249.62788	0.6
269.78372	0.5
312.32602	100.0
317.23416	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	313.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75427	23.9
73.29532	26.8
110.45538	26.0
174.98965	27.3
214.84921	31.1
235.77206	26.3
313.01694	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	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65540	0.1
65.03934	0.9
67.05483	0.4
69.03394	0.2
69.07037	0.2
71.04945	0.2
74.06075	0.7
74.55949	0.2
83.04992	0.5
84.08121	0.2
85.02906	0.3
91.05472	0.3
93.03349	0.2
95.04942	1.4
107.04945	0.3
109.77505	0.2
111.04433	1.4
120.81851	0.2
121.02859	100.0
123.04414	0.3
131.04938	0.2
135.26004	0.2
139.03902	3.0
149.06004	0.2
151.03909	0.9
151.07535	0.2
164.07085	0.2
175.08755	0.2
179.08156	0.2
180.08771	0.5
183.02908	0.3
186.13808	0.2
193.05063	0.2
249.12306	3.9
267.04959	0.3
277.11978	0.7
280.02994	0.2
295.08023	0.4
295.09830	0.3
295.13004	2.7
295.16486	0.3
313.09476	0.8
313.13968	3.9
313.17603	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	313.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69838	0.9
55.01868	4.9
57.03435	2.3
61.02913	2.7
66.01924	1.1
69.03432	2.2
75.83332	1.0
81.03399	1.3
85.02901	10.8
92.85654	1.2
97.02882	4.2
103.03916	2.0
109.02898	9.3
121.02883	2.2
123.04426	2.3
127.03943	1.7
137.05969	2.2
139.03888	2.3
147.04425	1.7
151.03917	17.3
153.01744	1.6
161.05972	1.7
163.03876	9.6
165.05484	8.2
169.04936	18.0
175.03871	4.8
179.06943	2.1
181.04945	65.2
187.03902	4.3
189.01735	1.3
189.05452	14.3
193.04958	47.9
195.02789	1.3
205.04991	20.8
206.32286	1.2
207.02847	2.6
207.06512	59.7
213.05342	2.4
217.04964	6.6
219.06493	4.5
229.04916	17.0
231.06471	8.3
233.04451	4.9
235.05997	100.0
241.04865	5.9
247.05992	95.5
251.20906	1.2
259.05988	42.2
265.07028	13.5
277.07050	30.3
294.30893	1.2
295.08093	26.6
313.09134	16.1
313.12186	1.7
313.17896	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	313.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01146	2.6
64.32481	0.6
67.05505	1.1
70.14662	0.6
72.04523	5.0
78.03790	15.5
90.77309	0.8
91.05476	1.0
93.07024	1.0
95.04955	2.4
102.03104	1.3
102.03763	25.2
105.07018	1.1
107.04962	4.7
107.08614	0.7
109.06506	0.7
109.70528	0.6
113.26735	0.7
114.49116	0.6
119.04973	1.0
120.04773	3.1
121.06462	0.8
123.04421	53.2
129.06964	1.0
131.06387	17.0
131.08554	0.8
132.04794	10.8
133.06544	0.7
133.10217	0.8
134.09454	0.6
135.08073	0.8
137.05962	5.3
149.07436	100.0
151.07509	5.9
155.08659	0.7
157.06488	0.7
157.10153	1.4
159.07967	0.7
163.07518	3.4
165.05467	13.1
173.09587	1.0
175.07539	0.9
183.11606	0.8
189.09077	3.6
207.11720	0.9
225.12830	0.9
253.12344	0.9
267.17490	1.0
269.15369	0.8
295.16833	2.8
313.12048	5.4
313.15173	3.0
313.17874	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	313.1433
Annotation	Engelhardione
Peak:m/z	Relative Intensity
53.20559	0.7
56.10167	0.8
59.04997	2.3
69.07082	1.6
75.23190	0.9
81.07067	1.4
83.51330	0.8
88.37523	1.0
91.05437	0.9
93.06996	1.1
95.08597	1.6
100.35808	0.9
102.75771	0.9
103.36332	0.9
107.08632	1.0
109.06472	1.7
111.08024	1.0
119.08578	2.0
123.08096	1.4
129.06970	1.1
131.08565	0.9
133.10089	1.2
135.08080	0.9
135.63528	0.9
140.85008	0.8
143.08583	1.3
147.08080	1.2
149.09625	1.0
155.08548	1.2
157.06493	1.7
157.10167	1.7
163.07466	1.0
166.07848	1.2
169.10179	2.1
171.08183	1.1
173.09692	1.3
179.08543	1.3
181.10092	4.8
183.08047	3.3
183.11659	1.8
184.83490	1.0
185.09631	2.2
187.07507	1.0
193.10182	1.3
195.08104	1.2
197.09657	4.4
197.13234	1.7
203.06976	1.3
206.10907	1.0
209.09602	4.0
210.10355	1.7
210.87079	1.0
211.11168	2.2
213.05534	1.6
213.09180	1.5
215.10674	3.6
217.08664	1.1
221.13142	1.3
225.09129	3.8
225.12637	1.2
229.08574	2.1
229.12331	1.4
236.11768	1.2
239.10693	0.9
241.12180	2.0
242.09415	1.1
243.10147	5.6
253.08650	1.4
253.12199	3.6
255.10159	8.2
257.08118	1.8
267.13776	6.7
269.11755	1.5
270.12628	1.2
271.09650	4.4
271.13358	5.3
277.12256	2.0
285.14999	1.1
295.13287	8.1
295.16867	3.4
313.14328	100.0
313.17990	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	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35060	1.1
60.62316	1.0
62.98755	1.4
69.03431	9.7
77.83538	1.1
79.05508	1.7
91.05468	1.4
93.07074	1.9
99.04444	1.4
105.07059	1.9
105.96666	1.2
107.08638	1.4
117.07027	2.0
119.08579	4.7
121.06481	1.3
121.10088	1.7
129.07010	2.6
133.02835	2.4
133.10191	1.5
141.06993	6.4
143.08548	20.7
146.07246	5.4
147.08075	1.9
154.07753	1.8
155.08560	13.3
156.09320	1.2
157.10100	2.6
159.08032	10.0
165.06966	7.1
166.07736	11.0
167.08537	6.6
168.09314	1.7
169.10100	12.3
171.08022	10.7
171.11711	8.5
173.05977	4.7
173.09627	6.5
178.07756	8.6
179.08543	13.0
180.09293	4.4
181.06427	2.0
181.10115	25.4
182.10931	2.0
183.08073	7.8
183.11658	7.3
184.08813	8.8
185.09608	6.8
191.08566	4.9
192.09331	7.7
193.10109	9.6
194.07243	7.1
195.08063	2.9
195.11707	9.6
196.08815	13.7
197.09627	24.3
197.13217	6.4
198.10423	15.5
199.11168	77.3
201.09113	1.7
207.11679	15.0
208.08784	1.3
209.09549	12.8
210.10374	14.6
211.11165	100.0
212.08295	10.1
220.08829	2.5
223.11186	16.2
225.12720	49.6
225.16141	1.4
227.10655	61.2
235.11185	9.7
238.09891	6.5
240.11234	1.5
241.12268	5.5
253.12218	58.0
253.14964	1.9
267.17258	1.6
271.13293	11.6
271.16040	1.6
295.16901	1.8
313.14285	22.8
313.17935	24.3
313.21194	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	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36192	1.9
55.05511	2.4
57.27852	1.8
62.24633	1.8
67.44112	1.8
69.03419	12.1
81.07063	4.1
93.07057	3.5
104.46741	1.9
104.57849	2.2
105.07051	4.2
107.04974	2.2
111.04443	2.5
119.08573	4.9
128.06206	3.0
129.07039	4.5
131.08572	3.0
141.06999	8.8
143.08603	20.0
145.06522	2.6
145.10071	3.3
147.08080	3.6
149.09682	2.4
153.06981	2.7
155.08530	19.7
157.10181	8.0
159.08054	11.8
161.09651	3.6
165.07002	9.6
166.07799	10.7
167.08636	4.8
169.06650	2.2
169.10100	23.6
171.08063	10.9
171.11633	4.0
173.05948	2.5
173.09682	8.0
178.07767	2.3
179.08545	14.8
180.09381	2.3
181.06557	3.6
181.10098	36.6
182.10895	5.3
183.08083	10.3
183.11682	12.4
184.08818	9.5
185.09657	8.5
185.13255	2.4
189.09142	3.1
192.09303	17.8
193.10123	9.4
194.07254	3.3
195.08058	9.3
195.11684	12.6
196.08855	17.4
197.09641	30.1
197.13271	12.6
198.10396	13.1
199.11172	64.5
207.11743	23.8
209.09616	20.6
210.10355	21.1
211.11156	100.0
212.08353	5.3
223.11113	15.6
225.12740	60.6
227.10690	48.3
235.11148	20.3
238.09940	7.9
239.14082	2.3
241.12202	4.3
253.12216	66.3
253.15123	3.2
267.13403	2.4
271.13229	18.4
281.08026	9.1
285.18262	3.7
295.13199	2.4
295.16959	4.8
313.07062	4.5
313.10623	4.8
313.14291	51.2
313.17856	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	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.98958	1.5
56.62500	1.7
61.02917	2.2
69.03430	3.4
73.02966	1.8
80.74950	1.5
81.03412	4.2
84.58225	1.5
90.94850	1.5
91.05468	3.6
93.07044	2.3
95.04967	2.3
97.02886	1.8
105.07027	2.5
119.04921	8.3
121.06465	8.0
129.06967	7.1
135.71530	1.8
137.05989	7.9
141.07008	3.5
143.08606	6.3
147.08046	2.4
151.07541	16.1
154.07640	1.9
155.08559	26.4
156.09328	4.3
157.06567	2.1
157.10159	10.7
159.08049	3.4
165.06993	7.1
166.07761	10.5
167.08571	15.1
168.09323	9.8
169.10101	23.1
171.08018	6.2
172.08826	2.3
173.09731	2.3
179.08549	8.6
180.09387	2.8
181.06482	3.4
181.10107	32.5
182.10880	35.5
183.08031	15.1
183.11655	20.3
185.09679	14.1
189.09094	9.8
192.09326	23.9
193.10136	15.8
194.10905	3.6
195.08025	25.9
195.11734	8.5
196.08885	10.8
197.09618	24.4
197.13225	21.0
207.11682	37.0
209.09608	40.8
209.13359	2.0
210.10403	28.0
211.11177	25.7
220.08838	11.4
223.11197	4.2
224.11949	1.8
225.09286	2.2
225.12738	37.7
235.11159	27.1
238.09901	4.1
253.12202	84.0
271.13385	3.0
295.13278	7.7
313.14368	100.0
313.17969	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	313.1432
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.38605	1.7
69.03422	4.8
79.05489	2.3
81.73884	2.4
91.05427	2.7
93.07018	2.5
105.07003	3.8
107.08601	2.5
114.74688	2.1
116.40609	2.2
117.07023	2.3
129.07034	4.1
131.08495	2.9
133.10109	3.0
137.88263	2.4
141.07045	7.6
143.08569	20.8
147.07986	2.3
149.38878	2.2
155.08549	12.6
156.09277	2.3
157.10066	3.8
159.08028	8.5
165.06987	4.4
166.07759	11.7
167.08585	3.2
169.10094	12.2
171.08054	19.5
171.11667	4.9
173.05974	2.6
173.09598	3.4
178.07733	4.6
179.08533	11.6
181.06471	3.2
181.10100	29.2
182.10820	3.2
183.08038	8.9
183.11719	9.7
184.08800	4.3
186.22646	2.3
191.08507	2.5
192.09319	7.9
193.10179	3.7
194.07214	4.3
195.07922	4.1
195.11743	11.4
196.08835	15.1
197.09598	24.2
197.13237	8.6
198.10384	12.5
199.11159	83.0
206.42638	2.4
207.11690	5.4
209.09657	11.3
210.10376	16.1
211.08009	3.1
211.11162	100.0
212.08377	12.9
220.08690	3.0
223.11154	20.3
225.12711	46.5
227.10631	61.5
235.11188	9.0
238.09871	3.4
241.12115	5.2
253.12199	46.7
255.21819	2.5
271.13333	11.2
295.16922	3.2
313.14346	13.0
313.17920	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
56.98436	4.0
57.03424	5.7
57.07085	52.8
66.06904	4.1
67.05502	5.4
69.03400	3.4
69.07070	7.7
70.19371	4.0
71.08626	29.7
81.07043	18.4
81.33064	3.6
83.08629	5.0
85.10172	16.6
94.49111	4.0
95.08595	21.8
107.18123	3.8
109.10115	8.9
111.08006	4.6
139.43350	4.5
143.08572	17.7
146.07277	4.9
159.08020	4.6
165.07152	5.0
169.10097	5.1
171.08032	4.8
171.11755	6.1
173.09583	5.4
178.07753	6.8
181.10098	16.7
183.07753	4.3
184.08891	7.3
185.09657	5.6
192.09331	5.7
193.10023	4.7
196.08868	7.8
197.09645	18.0
199.11172	50.6
209.09673	6.1
211.11179	76.5
223.11104	6.1
225.12766	30.6
227.10661	42.5
235.11270	6.4
253.12233	32.9
288.42654	3.9
290.08243	4.2
313.14279	17.9
313.17886	29.2
313.27356	100.0
313.32983	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	3-Oxomicrostegiol
Peak:m/z	Relative Intensity
55.05510	3.3
55.90815	1.7
63.95947	1.9
69.07069	16.7
71.67152	2.0
81.07040	2.1
83.04967	13.5
86.38478	2.0
92.18560	4.7
93.07048	3.6
95.08578	8.5
107.08569	2.6
109.06503	3.7
111.08079	9.9
135.42574	2.0
139.89729	2.0
149.06052	3.5
155.08588	2.8
161.05923	2.8
165.09158	9.4
169.10139	2.7
179.08537	2.2
181.06493	3.6
183.08020	3.7
185.09619	4.1
187.07521	8.1
191.10681	11.6
195.08017	17.4
197.06030	3.1
197.09619	3.0
199.11227	3.3
202.21208	2.3
203.10722	9.6
207.11740	3.3
209.09567	3.6
211.07523	3.6
211.11177	8.8
213.09033	3.6
215.10625	35.8
225.12756	12.7
227.10699	3.2
229.08621	4.0
229.12254	16.5
235.11214	11.3
237.12766	11.1
239.10635	4.3
241.12270	2.8
242.12965	3.8
243.13829	10.6
253.12233	13.6
255.14012	2.6
257.11847	2.8
267.17355	4.6
269.15314	4.8
270.16248	3.2
271.13327	15.2
271.16690	23.1
277.15875	2.8
285.18430	16.6
295.16901	18.2
299.21909	2.2
313.14352	4.6
313.17917	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	313.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63349	1.3
57.07059	1.3
69.07043	3.4
79.05487	1.5
81.07029	7.1
82.07847	1.5
82.49705	1.3
83.08633	1.4
85.06576	1.8
91.05490	1.9
93.07058	4.5
95.04955	2.4
95.08583	2.0
105.07002	3.2
107.08570	1.9
107.72238	1.8
111.08073	3.5
119.08572	3.3
121.10104	2.0
123.08060	11.1
133.06508	1.6
135.08018	2.8
137.05957	6.5
141.06949	2.3
143.08546	3.1
147.08080	2.9
151.07594	2.1
155.08614	3.0
157.10155	2.6
161.09535	5.6
165.09108	3.4
169.10152	2.4
173.09644	1.8
175.07542	1.9
179.08549	1.5
181.06407	2.5
183.07997	2.4
183.11679	2.6
192.09279	2.1
193.10147	2.8
195.08064	3.7
197.09605	1.9
197.13213	3.6
207.11725	8.3
209.09679	7.6
211.07529	2.5
211.11205	6.0
215.07077	9.4
215.10655	100.0
223.11249	1.7
225.12711	6.2
227.10745	2.3
229.12206	8.8
235.11182	16.1
239.17941	1.9
241.12114	2.2
243.10065	2.1
249.16417	2.2
251.14346	3.0
252.11418	7.6
253.12248	13.6
253.15968	2.3
257.11624	3.3
267.17325	6.3
269.15366	11.0
270.12601	2.8
271.13275	13.5
271.16486	1.7
277.15753	8.5
277.78598	1.5
285.18506	6.2
295.16971	30.6
313.14597	4.2
313.17932	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	3-Oxomicrostegiol
Peak:m/z	Relative Intensity
50.08451	0.9
52.18058	0.9
55.01879	1.0
55.05495	2.0
58.45509	0.9
58.71878	0.8
59.04992	1.1
64.25647	0.9
67.05486	2.1
69.03423	4.5
69.07049	4.4
72.16727	0.9
72.43812	0.8
79.05473	1.5
81.03424	7.9
81.07038	5.8
83.04958	2.1
83.08617	1.5
85.02900	2.3
85.06496	1.0
89.06879	1.0
91.05444	4.7
92.18469	1.5
92.22147	1.0
93.03390	1.7
93.07025	4.6
95.04970	1.3
95.08583	5.8
97.02894	1.7
99.26566	1.1
105.07019	5.3
107.08572	4.0
109.02861	1.7
109.06477	2.4
109.10178	3.6
111.04419	1.6
111.08081	4.3
119.08557	5.4
121.06444	1.2
121.10113	2.4
123.04355	1.1
123.08044	6.0
123.11700	3.7
125.05961	4.2
129.06956	1.4
133.06438	1.7
133.10123	4.0
135.08008	1.6
137.05998	4.3
145.06470	1.8
145.10124	1.4
147.08044	2.2
151.03903	75.4
151.04979	2.8
151.07491	1.8
153.07048	1.1
155.08597	1.4
157.06451	1.3
157.10043	1.2
159.08110	1.3
159.11700	1.3
161.05994	4.5
165.09041	6.8
169.04947	1.7
169.06404	1.4
173.05910	2.3
173.13213	1.3
175.81233	1.1
181.10118	1.7
181.36363	1.0
183.08011	1.9
183.11615	2.0
185.09552	2.3
187.07573	2.0
189.09094	3.5
191.10617	1.2
192.09239	1.0
193.10217	1.3
195.08015	1.6
195.11595	1.4
197.09581	4.0
197.13234	4.2
199.07385	1.2
199.11157	2.2
200.08296	2.4
201.09213	1.5
203.10631	1.2
207.11714	4.6
209.09610	4.2
209.13287	1.5
211.07591	3.8
211.11139	6.3
213.09032	1.2
215.07051	7.9
215.10660	100.0
220.08754	1.3
223.11224	1.9
225.12759	4.9
227.10580	2.3
229.08548	5.4
229.12177	8.4
235.11162	14.5
237.12624	1.8
239.10751	1.9
239.14073	1.3
241.12076	1.5
249.16273	4.4
251.14255	4.3
252.11494	8.8
253.12193	15.2
253.15764	2.1
255.13818	1.8
257.11664	4.6
267.17349	2.3
269.15259	7.3
270.12515	6.0
271.13260	10.5
271.16049	1.2
277.15872	8.8
281.07779	1.1
285.18454	1.7
295.08145	5.7
295.13831	2.0
295.16882	23.7
313.14392	4.8
313.17905	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	Centrolobine
Peak:m/z	Relative Intensity
50.44955	1.1
51.21061	1.1
54.61037	1.1
59.86362	1.1
67.05505	1.8
69.03429	2.4
69.07090	2.1
70.63915	1.2
76.91209	1.4
77.08640	1.3
79.05521	3.1
81.07063	2.5
81.56914	1.2
83.04977	1.8
91.05490	2.9
93.07049	2.6
95.08613	6.7
97.06545	1.7
105.07047	7.2
107.04944	1.7
107.08596	6.4
109.06534	2.6
109.10176	1.5
113.27278	1.3
114.13986	1.3
117.07037	1.8
119.08582	3.2
121.06496	3.2
121.10132	5.8
123.08112	1.7
128.06247	1.6
129.06952	2.0
131.08580	5.5
133.06514	1.4
133.10117	2.8
135.08058	6.0
137.06013	1.3
137.09636	5.1
143.08556	5.7
145.10109	5.6
147.08044	8.3
149.09624	10.3
151.11066	1.7
155.08585	2.5
157.10110	3.1
159.08011	2.8
160.92160	1.5
161.09607	5.7
163.07571	2.8
163.11145	2.3
167.08585	1.5
169.10037	2.1
171.08049	2.2
171.11719	2.6
173.09554	1.9
175.11156	5.5
183.11710	1.8
185.09651	2.7
187.11133	2.0
189.12781	1.4
195.11710	1.5
197.09698	2.1
197.13257	2.6
198.29675	1.2
199.11157	5.2
201.09106	3.0
201.12746	2.0
203.10686	2.0
205.12222	2.9
210.10376	1.5
211.11180	6.2
211.14754	1.4
213.12773	2.7
217.12189	2.0
225.12753	2.6
235.14923	1.3
239.10727	1.7
241.12170	2.0
244.29761	1.3
249.16341	1.5
253.15822	1.8
267.17383	5.7
295.17020	6.3
313.17978	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	313.1797
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
55.05505	2.9
58.57456	1.9
67.05505	2.9
69.03416	2.1
69.07071	3.0
72.10987	2.0
79.05486	4.3
81.07072	5.1
83.04974	3.5
91.05470	4.3
93.07035	4.1
95.04945	3.8
95.08601	3.0
105.07019	11.2
107.08558	3.4
109.06527	3.2
109.10155	4.2
117.06997	3.0
119.08569	9.2
121.06485	3.7
121.10091	4.3
123.08052	2.6
123.11739	2.1
129.06935	2.6
131.08549	3.8
133.06493	2.7
133.10123	11.1
135.08046	5.0
135.11671	2.2
137.09569	4.5
141.11638	2.1
143.08586	3.9
145.10132	2.7
147.07991	4.0
149.09622	4.3
152.55666	1.8
159.08061	3.9
159.11684	2.9
161.09631	4.1
163.07574	3.1
165.75395	2.0
169.10056	2.2
173.09654	2.4
175.11195	3.4
177.08932	2.9
187.07475	2.2
187.11189	2.8
189.09076	2.6
192.09201	2.6
193.10095	2.3
199.11234	2.5
201.09145	2.8
201.12781	2.7
207.11589	2.3
209.09657	2.3
211.11142	3.5
215.10701	2.3
217.12381	2.6
225.12718	2.6
229.12198	2.1
253.15866	2.8
285.18384	4.2
295.16858	12.0
313.14316	4.1
313.17944	100.0
330.98065	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	313.1797
Annotation	2alpha-Hydroxyjatropholone
Peak:m/z	Relative Intensity
53.34651	1.7
55.05497	1.9
63.55966	1.9
69.03417	3.2
69.07066	2.3
73.68926	1.9
79.05503	1.8
81.03410	4.2
81.07046	3.2
92.17841	2.3
93.07010	3.8
95.05002	2.8
95.08544	1.8
105.07021	10.3
107.08587	8.6
109.06525	3.2
109.10172	1.9
117.07017	3.5
119.08575	11.4
121.06533	3.1
121.10116	4.2
122.72796	1.7
123.08035	2.9
129.07034	2.2
131.08519	7.7
133.06494	3.9
135.08058	9.1
143.08549	10.4
145.10106	7.6
147.08014	3.6
149.09610	2.8
151.07529	4.1
152.29665	2.1
155.08438	2.4
157.10115	8.8
159.07956	7.3
159.11816	2.1
161.05969	2.1
161.09595	10.8
163.11093	2.8
169.10077	7.8
170.10777	2.5
171.11667	7.5
173.09637	9.8
175.11163	3.0
179.08505	3.0
181.10074	2.2
183.11699	9.6
185.09650	2.1
187.11136	4.5
193.10054	2.8
195.11679	4.3
197.09627	4.0
197.13182	3.3
199.11194	2.7
207.11778	6.7
209.09679	2.7
209.13197	3.4
211.11226	8.8
211.14786	3.7
213.08981	2.2
213.12582	6.2
215.10797	2.4
215.14323	2.0
223.14803	4.7
225.12759	9.8
225.16373	2.4
227.14328	3.5
229.12245	3.3
233.38083	2.0
235.14845	3.6
241.15813	6.9
243.13617	2.0
249.16394	4.4
251.14297	3.6
253.12276	3.2
258.93417	2.3
267.17444	12.3
269.15280	7.7
277.15805	2.6
285.18610	2.4
295.16953	21.1
313.14496	3.4
313.17953	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	313.1796
Annotation	Hypolide
Peak:m/z	Relative Intensity
52.00616	1.1
52.02221	1.2
52.69496	1.1
55.05516	1.6
55.98010	1.2
56.40152	1.2
57.18196	1.5
60.68577	1.5
64.94316	1.5
67.05504	1.8
69.03416	2.4
69.07061	2.2
79.05496	2.7
81.03424	1.8
81.07050	6.5
83.04951	2.1
83.08640	1.6
91.05485	3.2
93.07037	8.1
95.04985	1.8
95.08599	8.8
96.15215	1.3
103.22325	1.6
105.07010	9.9
107.08578	2.8
109.06508	6.2
109.10118	3.2
111.08074	7.0
119.08572	9.1
121.06488	5.6
121.10126	3.0
123.04427	1.5
123.08064	5.8
131.08575	8.7
133.10106	6.6
135.08049	6.4
137.05997	1.5
137.09630	1.9
142.07750	1.4
143.08560	7.4
145.10135	10.3
147.08075	3.5
147.11604	2.0
149.09605	2.5
151.03836	1.5
152.37354	1.7
155.08553	6.1
156.09358	2.7
157.10220	2.6
159.08060	5.6
159.11662	5.9
161.09644	3.4
165.09021	1.7
166.07719	2.8
169.10117	3.0
171.08101	1.9
171.11679	6.2
173.09624	5.7
173.13274	1.9
181.10034	5.1
182.10944	1.9
183.08176	2.0
183.11681	9.8
185.09630	3.1
185.13281	2.2
187.11073	2.1
189.09100	5.0
191.10796	2.0
192.09361	3.5
193.10114	2.5
195.11743	3.0
197.09622	6.9
197.13275	9.5
199.11130	3.4
201.12660	2.0
203.10612	2.0
207.11722	9.6
209.09605	5.2
210.10355	2.2
211.07605	2.0
211.11165	7.2
211.14827	1.6
215.10669	2.5
221.13196	2.0
225.09261	1.8
225.12801	9.9
227.10518	5.4
229.12247	2.9
235.11160	8.2
239.14369	3.4
239.17825	2.5
240.11996	1.5
240.14511	1.7
241.12196	2.2
243.13727	2.4
249.16174	2.5
253.12263	16.1
253.15948	3.1
255.17438	2.2
267.17398	10.5
271.06009	3.5
271.13300	2.8
272.06384	8.2
285.18463	3.0
295.16797	13.4
313.10928	2.6
313.14352	22.4
313.17969	100.0
313.21552	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	313.1795
Annotation	Rubifolide
Peak:m/z	Relative Intensity
51.44661	1.8
51.56826	1.6
52.98282	1.4
55.05488	4.0
59.40493	1.4
66.83867	1.6
69.03419	3.4
69.07036	8.1
70.90482	1.7
72.55881	1.8
79.05473	2.8
81.07043	4.0
82.39934	2.1
83.04953	8.1
91.05451	2.9
92.17783	3.3
93.06989	3.6
95.04902	2.7
95.08578	7.0
97.02898	25.8
97.06503	2.2
105.06987	11.0
107.08551	3.5
109.06458	4.3
110.46950	2.0
114.33936	2.1
117.06957	2.8
119.08585	6.6
121.06437	7.5
121.10095	2.4
123.08018	7.3
129.06972	1.9
131.08560	4.4
133.06429	2.5
133.10069	8.7
135.08000	8.0
135.32378	1.8
143.08568	2.9
145.10100	7.0
147.08023	3.3
147.11694	2.5
149.09544	7.9
151.07549	1.8
155.08548	2.6
157.10074	8.6
159.08003	2.7
159.11664	3.9
161.09541	4.1
169.10078	2.5
171.11664	9.7
173.09605	3.1
175.11130	4.5
177.12621	2.1
183.07965	2.4
183.11617	7.5
187.07593	2.7
187.11084	3.2
189.09109	2.0
189.12727	3.1
191.10698	2.0
193.10138	2.6
195.11584	2.8
197.09598	2.9
197.13266	3.4
199.11156	4.5
201.09068	3.0
201.12654	8.4
203.10568	2.4
211.11137	2.7
215.10603	8.0
216.15108	2.2
217.12172	10.8
225.12695	8.4
225.16162	1.9
227.10701	2.3
229.12158	4.0
239.18098	2.8
243.13773	4.4
257.11575	2.0
267.17355	10.7
271.16748	2.7
277.15753	4.0
285.18378	16.4
295.16882	12.1
313.14343	4.9
313.17883	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	313.1796
Annotation	Yakuchinone A
Peak:m/z	Relative Intensity
50.15805	1.8
52.94331	1.5
55.05495	1.8
60.56938	1.7
60.60389	1.6
67.05483	2.7
69.07053	1.9
71.38818	1.7
79.05470	7.2
81.07023	4.1
83.04968	3.6
91.05455	3.9
92.17886	2.1
93.07031	7.5
95.04951	2.3
95.08595	10.8
105.07008	11.5
107.08592	10.3
109.06528	8.5
111.08020	1.8
117.07005	2.1
119.08568	8.1
121.06480	3.8
121.10110	9.8
123.08041	9.3
127.65059	2.2
129.06989	2.2
131.08530	3.2
133.06468	2.7
133.10141	9.3
135.08000	7.5
135.11650	2.2
136.92224	2.0
137.05910	2.5
137.09599	4.2
143.08553	4.2
145.10130	9.2
147.08022	4.6
147.11638	2.3
149.09584	7.2
155.08543	2.6
156.09360	2.3
157.10135	7.5
159.07971	6.4
159.11673	3.5
161.09564	9.9
163.07462	4.1
163.11198	3.6
171.07924	2.4
171.11688	7.8
173.09650	2.3
175.07645	2.2
183.11681	3.3
185.13095	2.2
187.11252	2.8
189.09064	3.4
189.12691	3.3
199.11089	8.4
201.12793	1.9
213.12704	4.1
214.13597	2.6
217.12259	9.4
225.12772	3.8
225.16275	2.4
233.23247	1.9
236.15434	2.0
241.12260	9.0
249.16263	2.3
267.17322	7.1
269.15399	2.0
285.18430	2.5
295.16815	13.0
313.14304	3.6
313.17935	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	313.1796
Annotation	3-Oxomicrostegiol
Peak:m/z	Relative Intensity
51.42583	1.4
55.05492	10.2
55.05727	1.8
63.03339	2.1
67.84206	1.7
69.07066	16.6
81.07027	4.0
83.04983	12.3
83.08601	3.6
93.07018	3.7
95.08566	10.5
107.08564	1.7
109.06495	3.8
111.08042	9.7
119.08498	3.4
121.46409	1.7
123.08107	2.2
141.06956	2.9
143.04868	3.1
143.08540	3.3
149.05936	8.7
155.08534	3.6
156.09337	2.5
157.10117	1.9
161.05977	2.7
165.06985	2.2
165.09125	13.1
166.07715	2.1
167.08470	4.0
169.06445	3.7
173.05914	7.2
175.11238	2.3
179.08467	2.3
180.30533	1.6
181.10060	9.2
183.08018	10.0
183.11711	4.0
185.09576	8.7
187.07509	8.2
189.09108	3.3
191.08324	1.8
191.10622	13.6
192.46791	1.8
193.10173	2.1
195.08049	14.9
196.08827	2.1
197.05923	3.7
197.09552	8.0
197.13249	3.0
199.07681	1.8
199.11098	2.6
201.09035	3.7
203.10663	14.2
205.12213	1.7
207.11641	8.9
209.09612	12.1
209.13142	3.5
210.10384	2.5
211.07524	2.8
211.11130	12.3
213.09030	8.2
215.07033	7.0
215.10666	37.8
217.12241	3.1
223.11046	3.4
225.12680	16.0
227.10635	8.2
228.11359	3.6
228.85577	1.6
229.08614	3.7
229.12254	18.9
235.11125	12.5
237.12669	10.9
239.10674	3.4
241.12183	3.5
242.12868	3.6
243.13747	11.7
251.14243	2.6
252.11336	7.8
253.12170	30.4
253.15843	2.3
255.13715	3.6
257.11615	4.1
267.17471	7.6
269.15295	6.6
270.12424	2.0
271.13528	22.7
271.16791	29.6
277.15881	3.0
280.31186	2.0
285.18460	17.9
295.16962	23.4
313.14227	14.4
313.17874	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	313.1796
Annotation	Hypolide
Peak:m/z	Relative Intensity
52.31018	2.1
54.33588	2.0
57.67641	2.4
64.65401	2.5
69.03433	3.0
72.42947	2.5
77.49113	2.6
79.05508	5.6
81.07046	4.6
83.04971	6.2
91.05468	4.2
93.07044	6.6
95.04964	3.8
95.08597	5.0
97.02906	19.3
97.10165	3.4
99.04474	3.0
105.07024	26.5
107.08584	18.4
109.06516	4.7
109.10152	12.1
113.48901	2.4
119.08588	11.8
121.06506	2.9
121.10130	16.1
123.08054	4.3
128.06139	2.9
131.08594	9.5
133.06459	12.6
133.10117	14.5
135.08078	20.5
135.11700	3.0
143.08530	6.4
144.09303	2.5
145.10120	12.1
147.08037	14.4
149.09618	11.6
155.08589	3.1
156.09258	4.2
157.10149	4.9
159.08034	6.2
159.11691	6.2
161.05962	17.4
161.09612	12.3
163.07538	3.7
163.11183	3.2
169.10068	4.5
171.11676	12.6
173.09618	5.9
175.11263	4.5
183.11684	5.8
185.09758	3.9
189.09204	3.2
197.09729	2.7
197.13231	5.2
199.11075	6.2
201.12732	3.9
207.11842	2.7
209.13356	2.8
211.11218	3.1
215.10750	4.1
215.14366	5.2
217.12186	6.1
241.12358	2.9
241.15727	2.6
267.17490	5.9
285.18524	3.1
295.16925	16.6
313.14337	4.4
313.17944	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	313.1798
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
56.32848	1.7
58.07457	1.9
67.05493	8.7
69.03415	2.1
69.07076	3.2
79.05495	4.7
81.03443	1.7
81.07051	7.3
83.04951	2.8
91.05473	10.1
93.07045	14.4
95.04964	9.4
95.08598	9.0
100.11578	2.1
105.07032	15.0
107.04959	3.3
107.08579	12.7
109.06521	4.6
109.10217	2.5
117.07008	3.6
119.08567	14.7
121.06473	8.5
121.10175	8.6
123.04457	2.0
123.08052	3.7
129.06992	3.5
131.08575	11.1
132.61974	2.0
133.06499	4.1
133.10129	14.8
135.08058	8.5
135.11641	2.4
137.09602	2.6
142.07768	2.6
143.08571	3.8
145.10155	7.8
147.08081	8.1
149.09637	9.2
151.07608	2.7
155.08571	8.3
157.06468	3.0
157.10136	9.2
159.08043	4.0
159.11682	2.6
161.09650	7.9
163.11142	2.7
165.07008	3.8
167.08575	2.6
168.09398	2.1
169.10167	11.4
171.08099	2.5
171.11703	8.2
173.09648	7.5
173.13217	2.3
175.11127	3.8
177.09113	3.6
181.10121	8.3
183.08075	3.4
183.11736	9.4
185.09647	4.6
185.13271	2.4
187.11224	2.2
189.09019	3.0
189.12793	2.1
191.08473	1.9
192.09332	3.3
193.10004	2.5
195.08109	2.1
195.11705	7.6
196.08884	2.8
197.09654	11.3
197.13272	11.0
199.11195	9.7
207.11769	14.7
209.09650	4.1
210.10431	4.4
211.11203	11.2
211.14938	3.5
213.09106	9.2
214.41170	1.9
215.10693	2.8
219.18877	1.9
221.13330	2.9
224.11864	4.0
225.09105	7.9
225.12749	16.2
225.16229	2.2
227.10719	3.0
227.14235	3.1
229.12224	2.3
234.82794	2.3
235.11171	2.8
237.05521	2.3
237.09212	2.9
239.14410	4.2
241.12375	2.4
243.10211	3.6
249.16396	3.3
253.08549	4.6
253.12219	16.4
253.15843	2.0
262.09689	2.2
267.13846	8.4
267.17480	11.8
271.09659	13.1
271.13022	2.9
271.16794	2.1
277.15646	2.2
285.14804	3.5
285.18420	3.7
295.13480	4.3
295.16882	15.3
313.14337	100.0
313.17987	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1795
Annotation	Centrolobine
Peak:m/z	Relative Intensity
51.61046	1.2
55.05497	1.7
56.26841	1.1
57.93065	1.1
67.05497	3.2
67.56315	1.2
69.07047	1.6
79.05477	3.4
81.07018	1.5
83.04979	2.2
85.02870	1.6
91.05450	7.9
93.07032	6.8
95.08603	3.2
97.06501	2.6
105.04594	1.3
105.07031	11.6
107.08580	7.3
109.06520	3.0
111.08062	1.6
117.07001	2.2
119.08578	3.3
121.06463	3.4
121.10110	3.1
122.07294	1.3
123.08035	6.2
123.11801	1.8
129.07010	1.8
131.08563	2.4
133.06497	2.0
133.10129	2.6
135.08029	6.2
137.09578	6.4
142.07747	1.5
143.08575	5.5
145.10059	1.5
147.07964	5.5
149.09627	9.4
151.07501	1.6
151.11166	2.1
155.08516	2.6
157.10158	2.5
159.08026	2.6
159.11690	3.1
161.09615	5.3
163.11160	2.5
163.89154	1.8
169.10150	1.7
170.11063	1.7
171.11621	2.3
173.09612	5.9
175.11118	5.7
177.09070	2.2
183.11655	2.1
187.11166	5.3
189.09100	1.6
193.10243	2.0
197.09720	1.8
199.11159	3.1
201.09145	1.8
203.10620	3.2
205.12233	6.0
211.11156	3.0
213.12715	2.5
215.10660	1.9
217.12151	2.5
223.11134	2.6
229.12259	1.8
239.14314	2.1
241.12277	2.0
267.17316	6.6
285.18512	2.7
295.16830	7.6
313.17950	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	313.1796
Annotation	Hypolide
Peak:m/z	Relative Intensity
55.05518	2.7
64.74915	1.6
67.05478	6.8
69.03424	2.9
69.07043	2.9
79.82585	1.8
81.07055	4.4
83.04968	4.5
83.08593	2.2
91.05461	4.6
93.07028	9.6
95.04945	4.0
95.08601	3.7
97.02914	1.8
99.04404	4.0
102.77666	1.9
105.07007	14.8
107.04945	2.2
107.08572	15.7
109.06464	2.9
109.10117	10.9
111.04404	3.5
111.08034	1.8
117.07013	2.8
119.08606	13.4
121.06475	3.9
121.10130	10.7
123.08030	2.5
123.11703	3.9
129.06973	2.3
131.08525	10.3
133.06451	2.5
133.10121	14.9
135.08043	9.8
143.08525	8.2
145.06444	3.6
145.10133	12.5
147.08034	4.3
147.11629	3.2
149.09587	3.1
151.03912	1.9
151.07483	3.2
155.08521	3.5
157.10133	4.2
159.07980	8.3
159.11693	3.4
161.05922	11.8
161.09525	3.2
163.07492	6.9
163.11157	2.2
165.09082	2.7
169.10040	3.4
171.08072	2.7
171.11584	4.0
173.09564	4.5
173.13222	8.9
174.82468	1.7
177.09134	1.8
179.08484	2.1
183.11668	15.3
185.09793	2.5
186.10457	2.0
187.84227	1.9
197.13205	4.0
199.11162	3.4
201.12703	8.1
213.12804	3.0
215.14342	9.0
225.12750	3.3
253.12241	2.6
253.16034	4.1
267.17325	7.5
271.13260	2.1
285.18280	3.4
295.16879	12.2
313.14325	4.8
313.17935	100.0
318.77100	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	313.1798
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
53.53228	2.0
55.05510	3.4
58.83508	1.8
61.67051	2.3
61.67654	1.6
62.07269	1.7
65.66868	2.2
66.37345	1.9
67.05489	2.6
67.53377	2.0
69.03419	3.2
69.07056	2.7
79.05486	2.2
81.07040	3.3
81.36863	2.4
91.05473	11.2
93.07036	9.0
95.04975	8.5
95.08604	4.3
105.07044	8.5
107.04962	3.1
107.08580	7.8
109.06506	4.8
109.10136	2.7
119.04943	2.7
119.08565	14.1
121.06486	4.1
121.10131	9.1
123.08047	4.7
129.07008	3.1
131.08569	10.8
133.06494	4.2
133.10120	8.2
135.08034	3.4
137.05977	3.5
137.09589	3.6
143.08556	8.9
145.06479	2.8
145.10110	9.6
147.08035	12.1
147.11676	4.1
149.09616	5.0
151.07458	2.6
155.08560	10.3
156.09413	2.5
157.06433	2.6
157.10149	9.2
159.08104	3.8
159.11694	3.2
161.09613	8.6
162.65759	2.5
163.07637	2.3
165.07031	2.2
165.09068	2.6
167.08551	3.5
168.09303	2.4
169.10101	10.6
171.08064	3.4
171.11719	3.3
173.09543	3.7
173.13217	3.3
175.11143	2.7
177.09137	3.4
181.10135	13.9
182.10934	12.1
183.08081	3.8
183.11719	13.5
185.09616	3.7
185.13391	3.8
187.11165	4.6
191.10716	3.0
192.09354	7.6
193.10066	3.0
194.11029	2.5
195.11664	9.5
197.09633	11.5
197.13292	8.2
199.11148	2.3
201.12738	4.7
207.11745	10.5
209.09642	8.8
210.10434	7.9
211.11186	10.8
225.09236	3.5
225.12746	18.8
227.10652	4.5
229.12227	3.6
235.11180	8.6
239.14259	3.5
239.17940	2.7
241.12083	3.2
249.16403	3.3
253.12225	23.6
267.13815	2.7
267.17444	5.1
269.15332	2.3
271.13315	9.0
285.18515	8.1
295.13632	4.7
295.16922	15.4
313.07141	11.1
313.14337	33.8
313.17975	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	313.1796
Annotation	Rubifolide
Peak:m/z	Relative Intensity
55.05504	2.8
55.22375	2.1
63.03246	1.7
65.49785	2.0
67.05498	2.7
69.07044	8.6
79.05460	4.7
81.07048	9.0
83.04956	9.1
87.67464	2.0
91.05459	5.0
92.18571	3.9
93.07034	10.1
95.04957	2.9
95.08593	3.6
97.06561	2.8
104.40683	2.2
105.07024	13.3
107.08579	14.8
109.06522	8.8
109.10138	4.8
117.07003	3.1
119.08583	9.6
121.06519	5.5
121.10133	8.4
123.08064	7.9
131.08583	3.0
133.06480	4.3
133.10158	11.5
135.08073	7.5
137.09584	2.9
142.07802	2.7
142.54866	2.6
143.08543	4.0
145.10127	11.8
147.08015	4.1
149.09621	5.3
151.11133	3.7
154.35329	2.5
155.08560	3.3
156.09378	4.4
157.10197	8.2
159.11699	5.0
161.05896	4.2
161.09576	4.3
163.07498	10.8
163.11104	2.5
171.08109	2.9
171.11681	10.4
173.09572	4.3
177.09044	4.5
179.10638	2.3
183.11655	3.4
185.09627	3.1
187.11061	3.1
189.09195	3.2
189.12633	2.3
195.11661	3.1
197.13268	4.7
199.11142	8.7
201.09114	3.8
207.09787	2.3
207.11755	3.4
209.09692	2.6
211.11145	4.3
213.12701	3.3
215.10628	5.0
215.14334	3.1
217.12219	9.0
225.12782	8.5
253.12181	2.8
267.17496	9.4
269.15445	2.6
285.18442	12.7
295.16925	10.5
309.29370	2.2
313.14374	5.1
313.17874	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	313.1797
Annotation	Jatrophone
Peak:m/z	Relative Intensity
50.07754	1.3
55.05520	1.8
71.11546	1.3
81.07056	3.5
83.04978	3.2
91.05479	7.0
93.07030	3.0
95.08622	1.8
105.07043	8.0
107.08569	5.1
109.06513	3.3
109.10168	2.6
111.08073	1.9
119.08581	6.1
121.06474	2.0
121.10130	2.5
123.08099	2.6
129.07040	2.1
131.08519	1.8
133.06461	2.5
133.10085	2.7
135.08026	3.4
137.09590	3.2
139.52545	1.7
143.08560	3.6
145.10118	3.5
147.08061	2.0
147.11717	1.6
149.09625	6.7
157.10150	2.9
161.09634	2.9
169.09999	2.0
171.11682	2.6
173.09668	5.6
174.04492	1.5
175.11153	3.2
177.09087	2.4
181.10123	2.5
185.09639	2.0
187.07578	6.5
187.11188	2.4
189.09137	1.8
197.09647	1.9
199.11229	2.4
201.09129	1.9
201.12724	2.2
211.11206	2.1
213.12753	1.8
221.13287	2.3
225.09169	1.9
225.12668	2.0
229.12245	36.1
237.12611	2.0
252.11429	13.2
253.12236	10.3
267.13809	9.6
267.17422	3.2
271.13168	1.9
285.18750	2.3
295.13733	2.5
295.16940	15.0
299.55368	1.5
313.14349	21.0
313.17984	100.0
316.56946	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	313.1796
Annotation	2alpha-Hydroxyjatropholone
Peak:m/z	Relative Intensity
55.05514	1.7
67.05486	7.2
69.07056	5.7
79.05477	3.7
80.56425	1.4
81.07040	7.7
83.04967	2.0
84.64569	1.7
91.05470	3.5
93.07004	7.2
95.08577	9.1
98.48502	1.7
105.06979	8.2
107.04923	2.1
107.08559	9.0
109.06484	2.2
109.10144	4.1
109.54671	1.7
111.08090	1.8
117.06948	2.1
119.08538	9.0
121.06470	6.7
121.10081	3.4
123.07999	2.4
131.08536	10.3
133.06468	2.5
133.10095	6.9
135.07985	6.6
135.11601	2.0
137.09569	8.2
143.08539	3.4
145.06509	2.6
145.10048	3.6
147.07968	2.9
149.09550	3.1
151.03873	2.3
151.07498	2.6
155.08553	3.9
157.10078	3.0
159.08011	2.3
159.11594	2.3
161.09583	3.9
169.10124	2.8
171.08015	3.3
171.11653	3.3
173.09558	7.1
175.07521	1.9
175.11092	2.1
177.09041	2.3
179.10683	2.0
185.09602	2.5
191.10622	3.1
195.11682	3.6
196.29167	2.1
197.09497	3.8
197.13237	6.3
199.11093	6.7
201.09166	2.4
203.10701	2.3
207.11488	1.7
209.09584	1.7
211.11156	2.7
211.14830	2.5
215.10587	3.5
216.64392	1.5
225.12752	3.5
225.16312	3.2
229.12247	2.6
235.14731	2.0
237.12569	2.0
239.14211	3.9
241.12267	2.5
243.10149	1.8
243.13640	2.6
253.12090	7.0
253.15822	7.9
262.13434	1.7
267.13684	2.1
267.17398	10.5
271.16888	8.5
274.29025	1.6
277.15738	2.5
277.21548	2.5
285.18307	2.6
295.13373	1.6
295.16971	12.7
295.22565	7.1
313.14288	19.1
313.17886	100.0
317.74799	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	313.1797
Annotation	Rubifolide
Peak:m/z	Relative Intensity
54.99656	1.3
55.05499	2.7
57.07032	1.4
63.33487	1.3
64.40628	1.3
67.05489	6.5
67.27927	1.2
69.03409	1.9
69.07040	3.1
70.58840	1.5
77.21281	1.4
77.40360	1.4
79.05465	6.0
81.07037	8.5
82.85925	1.3
83.04960	6.0
88.37551	1.5
91.05473	5.9
93.07032	8.6
95.04953	5.8
95.08578	7.1
105.07008	12.9
107.04930	2.4
107.08564	10.9
109.06501	2.7
109.10137	7.8
117.06986	2.5
119.08589	11.8
121.06488	5.6
121.10136	8.8
123.08023	2.4
123.11697	2.9
131.08508	3.5
133.06430	2.4
133.10123	14.4
135.08025	7.0
137.09636	2.2
143.08549	8.8
145.06459	2.1
145.10095	8.6
147.08043	7.0
149.09590	6.3
151.11201	1.8
155.08516	2.3
157.10049	2.9
159.08070	2.6
159.11610	3.2
161.05931	3.5
161.09593	6.5
163.11093	2.3
165.06839	2.2
169.10114	3.1
171.08066	2.6
171.11615	5.4
173.09642	2.7
173.13239	2.1
175.07480	1.7
175.11093	3.0
181.10049	2.0
183.07962	1.7
183.11641	8.4
187.11140	2.2
189.09090	7.4
189.12738	2.6
193.08443	1.5
193.10162	2.7
195.11746	1.7
197.09628	2.6
197.13205	3.3
199.11177	7.0
201.12689	6.3
209.13214	2.4
211.11115	3.5
213.12738	2.2
214.13524	1.7
215.14229	2.2
219.94664	1.9
225.12698	6.6
236.83755	1.6
239.10606	2.0
239.14082	2.4
253.12074	2.0
253.15755	2.1
267.17371	9.8
277.15762	3.1
285.18472	7.2
295.16827	13.1
313.14545	6.4
313.17917	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00655	1.0
55.05499	4.8
57.03439	13.1
57.07080	43.1
62.53602	0.9
65.14558	1.0
65.77528	1.1
66.07506	0.9
67.05495	8.0
69.07076	9.8
69.62043	1.0
71.08256	1.6
71.08630	29.3
80.59736	1.0
81.07062	12.7
83.08620	8.6
85.10175	16.0
89.06018	2.0
95.08597	16.1
97.10112	2.2
98.56113	1.0
103.07560	1.1
109.10136	6.0
123.11705	1.6
204.43645	1.1
257.24713	3.9
313.27350	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51248	0.8
55.05505	5.2
55.05742	0.8
57.03442	13.8
57.07081	40.6
59.64667	0.7
65.39345	0.7
67.05486	5.2
69.07050	5.2
69.07399	0.7
71.08261	1.2
71.08627	26.7
76.94071	0.8
81.07065	9.5
82.17250	0.8
83.08620	8.1
85.10181	17.7
88.21014	0.8
89.06007	3.2
89.82631	0.7
95.08606	15.3
95.09156	1.5
97.10157	3.6
103.07566	1.2
109.10157	5.5
117.09118	0.9
123.11672	1.6
126.14585	0.8
146.83627	0.9
156.08005	0.9
232.85757	0.8
239.23628	3.3
255.16782	0.8
257.24600	1.9
313.27344	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	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85218	0.4
56.66322	0.5
57.74043	0.5
57.87222	0.4
61.01148	0.5
69.03435	0.8
70.69130	0.4
88.51479	0.5
97.02889	48.6
99.84352	0.5
105.44007	0.5
108.69344	0.5
110.52172	0.5
136.06184	100.0
140.65349	0.5
143.01610	2.0
161.02628	0.7
162.07848	0.6
164.05650	6.5
178.07205	3.3
179.03781	2.1
296.08203	4.7
314.09143	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	314.0919
Annotation	Neoamphimedine
Peak:m/z	Relative Intensity
54.00302	0.3
59.28849	0.4
65.87545	0.4
65.89323	0.4
67.52527	0.4
69.03421	0.8
70.77933	0.4
81.73901	0.4
97.02892	46.3
98.97593	3.2
116.98627	1.0
119.65231	0.4
136.06186	100.0
143.01639	2.0
158.99582	0.4
161.02727	0.6
164.05638	7.5
178.07310	3.5
179.03700	1.7
182.12120	0.4
236.21628	0.4
242.04427	0.5
248.07803	0.5
250.09375	0.6
296.07953	3.8
314.09161	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	314.1238
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03939	0.5
57.03433	0.8
58.28949	0.4
58.49472	0.4
61.02933	1.2
64.50813	0.5
67.05497	0.6
69.03422	4.3
71.04991	0.7
73.02925	0.8
76.96177	0.4
78.86543	0.5
79.05503	0.5
85.02910	6.0
87.04463	1.0
89.06047	0.7
97.02882	2.9
98.97617	0.8
99.04444	0.6
106.06568	2.2
108.08117	100.0
109.02853	1.8
116.06992	0.5
117.05492	7.4
121.95674	0.5
122.06048	0.6
123.06808	5.2
124.07573	5.8
127.03907	0.8
134.06020	6.6
136.07576	29.8
137.08362	0.6
140.10600	0.6
152.07065	74.7
154.08594	3.1
164.07138	0.7
182.08063	0.7
314.12326	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23888	0.5
50.71328	0.5
51.31986	0.5
60.04531	100.0
65.75800	0.6
67.05529	0.7
68.00766	0.7
70.32926	0.6
74.23094	0.6
80.05893	0.7
81.07037	0.8
93.07004	0.6
95.08619	1.1
105.03403	2.6
134.03130	0.7
145.02271	0.7
154.99115	0.6
231.41792	0.7
296.25766	2.5
314.18307	3.8
314.27231	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	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
74.06306	0.4
79.67460	0.3
82.41132	0.3
87.91023	0.4
106.44849	0.4
123.05737	0.3
129.06915	0.4
179.08562	0.4
237.12601	0.5
248.34680	0.5
272.06781	5.4
300.06253	53.6
315.08588	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	315.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95398	0.8
52.62303	0.8
54.99852	0.7
55.43678	0.9
55.43979	0.8
56.04763	0.7
85.02908	1.1
91.54374	0.8
95.04951	1.1
107.04930	2.4
119.04934	4.1
123.04420	67.5
135.04344	1.1
147.04398	24.2
150.15768	1.0
159.04471	1.3
163.03888	100.0
165.05479	13.4
175.03926	3.3
199.02933	0.9
205.04889	2.0
226.10760	1.5
274.09723	1.1
278.84821	1.0
297.07730	1.0
315.10889	55.9
315.19220	1.7
324.71954	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	315.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27164	0.6
58.69754	0.6
70.31084	0.6
75.28440	0.7
85.02911	0.9
90.17158	0.9
101.89115	0.7
107.04959	0.9
107.06866	0.6
119.04961	4.2
119.59483	0.8
123.04422	50.8
147.04413	18.4
153.05318	0.9
159.04486	1.1
163.03891	74.9
165.05467	11.1
175.04028	1.3
177.05569	1.4
185.04240	0.9
193.05119	1.2
282.64151	0.9
283.14960	0.7
315.10657	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	315.1228
Annotation	7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan
Peak:m/z	Relative Intensity
55.01880	14.0
59.24863	0.3
59.28487	0.4
65.12589	0.4
69.07056	0.8
79.05475	0.6
81.03402	0.6
81.07043	1.8
83.08633	0.4
83.46837	0.4
85.02927	0.5
91.05473	2.5
93.07040	4.4
95.04941	2.4
95.08606	2.2
103.05477	10.6
105.07021	1.6
107.04959	8.8
107.08564	1.8
109.06519	1.7
109.10168	0.6
117.06980	0.4
119.08567	3.0
121.02835	1.6
121.06506	12.0
121.10116	0.9
123.04459	0.8
123.08001	0.6
123.11669	0.6
131.04924	34.3
131.08585	0.6
133.10109	1.7
135.08037	0.8
135.11772	0.8
137.05988	2.1
137.09636	0.5
143.08548	1.0
145.06454	1.9
145.10155	2.4
147.08029	2.6
147.11681	0.6
149.05974	100.0
151.07555	0.7
155.08569	0.9
157.10138	1.6
159.07991	0.9
159.11687	0.5
161.05934	0.6
161.09537	1.0
163.03967	0.8
163.07492	0.8
169.10069	1.5
171.07977	0.5
171.11702	2.4
173.05956	0.4
173.09586	1.8
175.11096	0.6
180.09366	0.5
181.10118	1.7
185.09636	1.0
185.13235	0.8
187.11234	0.5
189.09096	0.5
194.10834	0.5
195.11682	1.0
199.11203	2.6
209.13326	0.9
211.11217	0.6
211.14975	0.6
213.12758	1.8
215.14175	0.7
217.12267	0.6
235.20984	0.4
237.09061	1.0
237.12659	0.8
247.46014	0.5
255.11263	0.6
255.13759	1.0
255.17358	0.7
265.08688	0.8
267.10220	2.0
269.07950	0.7
269.15570	0.5
269.18945	0.9
279.10107	0.6
279.17270	0.7
297.11191	4.7
297.18405	3.9
315.05219	0.5
315.08667	1.6
315.12845	5.4
315.15952	2.5
315.19363	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	315.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05515	3.1
56.76517	1.6
57.53472	1.5
58.96860	1.6
64.68895	1.8
67.05506	4.1
81.07053	3.7
83.04967	8.2
83.05435	1.9
91.05476	2.0
91.07353	1.8
93.07062	2.2
105.07009	4.2
109.06532	2.9
117.06999	2.2
119.08578	2.1
121.06450	2.9
140.07056	4.2
143.08566	4.7
147.08026	3.6
148.07625	3.5
148.86531	2.1
155.08516	4.1
159.08060	7.3
165.06931	8.3
166.07776	2.7
167.08470	14.1
168.06543	3.1
168.09427	2.2
168.11186	2.2
169.10066	2.5
171.08081	4.4
173.09579	2.4
178.07736	4.4
179.08575	11.1
180.09312	9.0
181.10124	29.5
185.09624	12.2
191.08563	2.8
193.10150	9.6
194.10924	10.0
195.08118	6.2
195.11726	9.5
196.08809	7.0
197.09578	7.8
199.08617	2.5
199.11221	3.3
204.09366	19.0
207.08087	8.0
208.08737	7.3
209.09578	7.8
209.13229	15.3
211.11191	10.4
213.12616	8.4
219.11725	19.1
222.10364	46.6
225.10242	4.1
227.10519	4.5
227.14343	7.7
229.01649	2.2
229.45804	2.1
237.12724	100.0
240.11440	2.9
255.11243	25.8
255.13815	39.0
269.12860	8.6
297.12396	8.0
315.13303	72.2
315.16010	52.5
315.19974	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	315.1338
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
55.01880	3.7
67.05481	0.6
69.03432	0.5
69.07073	2.6
81.07014	0.5
91.05482	0.4
93.07020	0.8
95.08578	1.6
105.07050	0.7
107.08620	0.5
108.04421	0.7
112.07571	0.6
116.95824	0.3
119.08555	0.5
121.06457	0.4
122.06027	0.4
131.08560	0.5
133.10085	0.5
135.08044	0.4
140.07066	6.8
143.08572	0.6
145.10123	0.6
148.07561	4.8
157.10114	0.5
159.11682	0.6
167.08575	0.6
168.06548	6.1
169.10080	0.5
171.11670	0.6
173.13243	0.5
174.05482	0.8
179.08578	0.6
181.10081	0.5
185.13203	0.4
195.11684	0.8
198.09003	0.5
199.08640	3.0
199.11102	0.4
203.09233	0.4
209.09520	0.5
209.13251	0.8
213.10164	0.9
213.12608	0.5
214.11020	1.5
215.11774	2.1
219.11656	0.5
222.10326	0.8
224.10735	0.5
225.10197	5.7
226.08679	1.9
227.08054	0.5
227.11656	1.7
237.12744	2.1
241.09767	0.6
241.13243	0.6
242.10506	2.2
243.11279	3.0
251.17999	0.6
251.97333	0.4
252.10175	2.1
255.11272	31.2
255.13542	1.2
269.12848	10.4
269.18982	0.6
270.11304	0.6
279.17493	0.5
287.13864	1.4
297.12329	11.2
297.18402	2.0
311.15369	0.4
315.13345	100.0
315.19470	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	315.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45197	2.0
54.14249	1.8
67.05502	2.8
69.03422	9.3
81.07044	9.5
83.04979	5.6
83.08648	2.4
95.04956	2.8
105.07014	3.4
109.06486	3.1
119.08593	4.0
121.06495	4.4
129.06985	4.3
131.08534	3.0
135.08066	4.1
143.08565	2.6
145.06474	4.5
147.08005	2.2
148.73662	2.2
155.08594	3.0
157.10063	4.0
159.08026	9.9
161.09615	2.8
165.06935	5.4
166.07777	2.9
167.08528	17.2
168.09335	3.4
171.08087	9.4
173.09692	2.4
175.07602	2.8
179.08563	17.1
180.09425	8.3
181.10094	31.0
185.09630	12.7
191.08540	3.2
193.10060	9.2
194.10963	13.6
195.08040	4.8
195.11697	13.3
196.08832	5.1
197.09583	5.0
198.10463	3.3
199.11195	4.6
203.08574	2.8
204.09306	22.9
207.08105	10.6
208.08774	5.6
209.09694	4.7
209.13275	17.3
211.11205	3.1
212.11963	2.8
213.12762	8.6
219.11667	23.1
222.10362	45.9
227.10701	4.8
227.14282	12.2
229.91959	2.2
237.12720	100.0
250.93285	2.4
255.13776	40.5
272.06720	3.6
300.06195	39.3
310.83243	2.5
315.08594	73.8
315.15967	92.2
315.19534	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	315.1588
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
51.87733	1.6
51.88692	1.7
53.56663	1.6
55.05504	2.9
55.24773	1.5
56.39198	2.0
61.56335	1.7
67.05502	8.5
69.03409	4.5
81.07035	3.6
83.04985	4.5
109.06544	2.7
121.06487	4.9
131.44853	2.3
143.08557	4.6
153.06917	2.1
157.06415	2.7
157.10077	3.3
158.07256	2.4
158.28152	2.0
159.08072	4.8
161.09636	2.2
165.06967	8.4
166.07751	4.8
167.08566	15.8
168.09386	2.1
171.07907	3.6
173.06058	2.1
173.09601	8.1
178.07854	2.3
179.08577	16.0
180.09334	8.2
181.10118	29.9
185.09628	9.2
191.08560	3.9
193.10129	7.8
194.10928	10.4
195.08092	4.2
195.11668	14.9
196.08842	8.0
197.09677	7.0
198.10445	4.2
199.11125	3.7
203.08601	3.1
204.09317	21.5
207.08083	12.4
208.08830	7.9
209.09644	8.7
209.13206	15.9
211.11176	4.0
213.01007	2.1
213.12708	4.6
219.11716	20.6
222.10362	47.1
227.10730	4.8
227.14301	10.7
237.10368	4.7
237.12714	100.0
240.11612	2.3
255.13788	47.2
315.15881	82.4
334.58203	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	315.1589
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
51.68322	1.2
55.05505	2.2
67.05488	2.7
69.03427	3.8
77.88517	1.5
81.07057	2.4
83.04977	8.5
89.40638	1.5
95.04951	1.9
104.28136	1.7
109.06517	1.7
121.06503	2.5
129.06982	2.9
142.15906	1.9
143.08606	2.8
145.06477	2.4
155.08542	3.4
157.10085	2.0
159.08037	6.6
165.06989	9.1
166.07741	1.8
167.08534	13.6
168.09290	2.7
171.08061	3.5
171.11644	2.8
173.09607	2.2
178.07695	1.8
179.08612	14.3
180.09323	3.9
181.06532	2.1
181.10120	31.2
183.08078	2.5
185.09630	10.9
191.08577	2.9
193.10133	7.1
194.10881	9.5
195.08058	7.5
195.11658	12.2
196.08783	2.9
197.09613	3.6
198.10394	3.6
199.11264	6.5
204.09375	18.7
207.08080	10.4
208.08800	2.6
209.09599	8.1
209.13234	11.5
211.11148	7.6
212.11923	1.7
213.09227	1.8
213.12715	3.4
219.11687	16.5
222.10408	42.8
227.10760	3.2
227.14349	8.5
237.12708	100.0
255.13792	39.3
297.14792	2.0
315.15884	60.2
315.19485	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	315.159
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
54.44725	1.2
55.05497	6.5
55.49535	1.2
55.61408	1.3
63.56002	1.6
67.05495	6.0
68.94612	1.5
69.03421	3.6
79.05466	1.7
81.07042	6.4
83.04975	8.6
91.05486	2.2
91.13374	1.4
93.07017	6.9
95.04961	3.5
95.08566	2.1
97.06524	2.2
105.07011	8.2
107.04990	2.0
107.08600	2.7
109.06510	8.5
119.08588	5.4
121.06489	7.1
123.08105	1.7
129.07060	1.8
131.08586	2.3
133.06538	1.9
133.10109	2.5
135.08073	5.7
143.08578	6.8
145.06450	2.3
145.10141	3.1
147.08125	5.1
153.07002	2.4
155.08540	6.6
157.10078	3.3
159.08063	3.0
159.11679	1.9
161.09584	3.6
162.51743	1.4
165.06973	6.1
166.07767	2.5
167.08575	17.1
168.09367	3.1
169.10156	2.9
171.07961	6.0
171.11700	7.0
173.09581	6.2
178.07819	3.5
179.08557	16.2
180.09322	3.8
181.10120	34.6
183.11711	5.9
185.09598	13.0
191.08609	2.4
193.10146	8.5
194.10938	10.1
195.06433	2.0
195.08116	6.7
195.11705	15.2
196.08875	2.8
197.09618	3.6
197.13318	1.9
198.10373	2.5
199.11182	9.2
203.08673	2.9
204.09320	21.7
207.08049	12.0
208.08769	3.4
209.09561	3.5
209.13280	19.2
211.11211	8.3
212.11993	3.5
213.09145	2.4
213.12733	6.9
219.11703	19.0
221.09749	2.2
222.10371	55.0
226.09920	1.7
227.10649	3.4
227.14326	9.5
237.12706	100.0
240.11392	3.1
255.13771	41.7
255.16663	1.8
273.14722	3.3
297.18503	6.7
315.15884	64.2
315.19543	32.0
334.83389	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	315.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57657	0.8
51.40846	0.7
51.72592	0.7
53.69310	0.8
55.01863	1.0
55.05502	5.5
57.03423	1.3
65.89921	0.8
67.05490	6.3
69.03418	5.1
69.07053	2.1
71.19366	0.9
79.05485	2.2
81.07043	8.9
83.04981	6.8
83.08594	3.9
91.05482	3.7
93.07052	2.3
95.04971	6.7
95.08596	4.1
97.06519	4.6
105.07035	7.2
107.04904	1.1
107.08598	2.4
109.06522	10.5
109.10129	1.6
110.07241	1.2
111.08102	1.3
115.05405	1.1
117.07008	3.9
119.08555	5.9
121.06509	5.6
121.10133	5.0
123.08037	3.6
129.06976	4.2
131.08542	5.8
133.06482	1.8
133.10106	3.6
135.08034	5.3
137.09595	1.2
143.08565	7.0
145.06493	5.9
145.10074	3.4
145.96143	0.9
147.08029	6.5
147.11655	1.1
149.09587	2.1
151.07559	2.1
153.06961	1.6
153.53540	0.9
154.98196	0.9
155.08562	5.0
157.10135	9.3
158.07263	1.1
159.08060	9.7
159.11607	1.3
161.09651	4.8
165.06973	7.2
166.07765	2.2
167.08516	14.4
168.09399	1.9
169.10156	1.8
171.08061	8.9
171.11649	5.2
172.08830	1.0
173.09589	6.0
173.13113	1.1
175.11055	1.4
178.07768	5.2
179.08569	12.3
180.09344	8.3
181.06519	1.0
181.10109	29.9
183.08046	1.4
183.11668	4.1
184.08800	1.0
185.05957	1.2
185.09602	13.7
185.13225	2.2
186.10435	1.1
187.11131	1.9
189.06982	1.3
191.08578	3.5
193.10121	8.8
194.10880	14.0
195.08029	4.9
195.10023	1.0
195.11613	9.3
196.08827	5.9
197.09576	9.4
197.13246	1.8
198.10394	4.4
199.11154	11.0
199.14795	4.0
203.08629	2.1
204.09346	17.6
207.07985	10.1
207.11719	2.2
208.08852	6.0
209.09726	7.1
209.13216	18.9
211.11101	10.4
212.11913	3.7
213.09151	1.4
213.12708	8.3
217.12332	1.4
219.11679	20.1
221.09592	1.3
222.10358	43.1
225.12790	1.2
226.09872	2.0
227.10683	7.9
227.14212	8.4
237.12700	100.0
240.11479	2.2
255.13751	38.5
269.18948	2.0
279.17429	2.0
297.18439	9.3
315.15875	68.4
315.19537	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
54.43854	0.4
58.88294	0.5
59.04994	1.4
59.06379	0.5
69.03425	0.7
70.12094	0.6
71.05001	1.0
81.07056	0.9
83.04990	0.7
87.62851	0.6
94.12359	0.6
95.08594	0.9
105.07047	1.1
107.08579	1.2
117.07058	0.8
119.08576	1.4
131.08653	0.7
133.06447	0.7
133.10118	1.0
135.08011	0.9
143.08591	2.9
145.10109	0.9
147.08025	0.7
147.11661	0.8
155.08577	1.1
157.10120	3.1
159.08107	0.9
159.11749	0.7
161.09604	0.9
167.08546	0.7
169.10109	1.1
171.08080	2.5
171.11703	1.3
173.06059	0.9
173.09671	2.6
175.11168	0.7
181.10112	2.7
183.07967	0.9
183.11821	2.1
185.09613	3.6
185.13231	0.8
187.11156	1.5
191.07072	0.7
193.10155	0.8
195.11670	1.2
197.09717	2.8
197.13258	1.0
199.11197	2.8
201.09114	3.2
209.09679	4.2
209.13127	2.0
211.11256	4.6
211.14833	1.4
212.08371	0.8
213.05394	0.9
213.09119	3.8
215.10612	5.0
221.13293	0.7
223.14774	2.4
225.12749	1.0
226.10030	0.7
227.10693	6.4
227.14232	6.3
229.08690	3.4
229.12183	0.7
236.11945	1.0
237.09081	0.9
239.10686	1.1
239.14404	1.4
241.15913	2.8
245.11842	0.7
251.14264	1.5
251.18112	1.4
254.12994	1.2
255.10139	5.0
255.13844	5.3
257.11813	0.8
269.15421	4.3
269.19016	2.5
272.10312	1.0
272.14160	1.0
273.11212	10.2
279.13870	2.8
279.17172	0.8
287.16193	0.7
297.14914	8.0
297.18420	3.1
311.95642	0.7
315.15948	100.0
315.19540	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	Cryptofolione
Peak:m/z	Relative Intensity
54.07218	1.6
55.05503	1.6
67.05513	2.1
69.07080	2.0
75.63518	1.6
77.31882	2.0
79.05486	1.9
81.07051	9.9
90.15174	1.6
91.05496	3.6
93.07030	4.0
95.04935	3.0
95.08579	2.9
105.07015	4.2
107.08578	3.0
108.87942	1.8
109.06522	7.9
110.07314	2.4
115.42259	1.7
117.06998	2.0
119.04933	2.1
119.08576	3.0
121.06545	3.6
121.10148	4.3
123.08058	2.5
133.06496	2.7
133.10126	3.2
135.08047	8.9
142.07690	2.3
143.08563	33.4
145.06473	3.0
145.10118	3.0
149.05978	2.8
155.08592	2.6
157.10089	22.8
159.08107	2.7
159.11693	3.3
161.09569	4.0
163.03810	2.2
165.06943	3.3
167.08522	15.7
169.10165	8.2
171.08080	10.5
171.11687	10.1
173.09605	8.4
173.13164	1.8
175.11128	1.9
179.08514	7.2
181.10149	13.1
183.11705	4.5
184.08951	2.3
185.09618	20.2
185.13211	2.4
193.10168	2.8
194.10892	3.5
195.08084	6.6
195.11734	8.7
197.13313	3.2
198.13989	2.6
199.11267	10.4
199.14825	7.1
204.09283	3.2
207.08060	2.6
208.08893	2.1
209.09685	7.2
209.13231	15.9
211.07524	2.1
211.11180	4.5
213.09117	39.4
213.12750	8.4
219.11867	3.6
222.10396	11.6
223.14714	6.3
227.10655	2.9
227.14299	38.8
237.12756	29.5
241.15829	11.7
251.17848	2.3
254.12900	3.2
255.11113	3.6
255.13782	100.0
269.15436	17.9
269.18677	2.3
297.14859	37.0
297.18527	12.7
315.08539	2.1
315.12277	3.4
315.15894	47.1
315.19589	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67659	4.2
52.06587	3.4
52.53612	3.4
53.03953	3.9
58.88991	3.4
67.05492	5.3
69.03421	16.2
69.07063	10.2
71.04987	7.9
72.39471	4.2
75.05719	4.2
75.95226	4.0
79.05479	18.3
81.03411	8.0
81.07050	28.7
85.02894	47.0
85.06525	6.1
91.05473	9.8
93.07027	55.9
95.04942	8.7
95.08590	25.9
97.02882	9.5
97.06543	16.6
103.03945	5.7
105.07015	25.2
107.08585	65.6
109.06504	16.5
109.10147	19.1
119.08553	25.9
121.06488	3.9
121.10139	9.2
123.04385	10.6
123.08010	6.6
131.08516	18.1
133.10095	26.6
135.07996	19.0
135.11673	50.6
143.08531	7.5
145.04977	4.7
145.10109	19.6
147.08081	6.6
147.11658	6.3
149.09563	5.6
151.07533	4.7
151.11214	6.7
153.12755	20.9
157.10095	20.3
159.08052	5.2
159.11600	12.9
161.09602	9.2
163.11194	5.5
165.12749	26.3
169.10077	6.8
171.11702	16.9
173.09531	8.1
173.13283	6.5
175.11145	6.9
177.12785	7.5
183.11700	5.8
185.09711	4.4
187.14868	6.3
189.12767	6.5
197.13214	7.3
201.12804	4.8
227.18097	4.4
241.15619	5.6
261.14893	10.3
269.19089	7.0
279.15994	7.6
297.18369	22.5
315.19696	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	315.1933
Annotation	E-64c
Peak:m/z	Relative Intensity
53.92413	1.2
60.86383	1.3
66.55347	1.3
70.35815	1.4
75.13927	1.3
75.76574	1.5
81.07057	2.3
123.14184	1.5
157.22577	1.6
237.12701	2.3
255.04822	1.5
315.16101	4.3
315.19315	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	315.1954
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
50.13661	5.0
55.05512	6.2
65.26605	4.8
69.07042	7.2
70.81750	5.8
80.99726	5.4
81.07062	14.3
93.07005	13.1
95.04966	24.0
95.08598	9.6
97.95167	5.3
105.07037	33.5
107.08614	10.8
109.06542	9.0
119.08546	31.4
121.06522	5.8
121.10130	12.1
123.08060	10.1
131.08620	21.3
133.10115	31.2
135.08070	7.4
135.65776	6.0
143.08578	27.4
145.10146	29.9
147.08031	10.1
147.11646	7.0
149.09546	10.7
153.73540	6.0
157.10133	29.8
159.07982	7.3
159.11678	9.9
169.10120	32.4
171.08092	10.2
171.11668	11.9
173.09572	12.4
175.11249	9.5
181.10130	7.7
183.11729	29.9
187.11287	8.3
193.09995	8.3
195.11705	23.0
199.11191	11.7
201.12691	6.8
209.09827	7.5
209.13290	26.1
211.11160	9.1
211.14859	25.2
213.54260	6.0
221.13147	8.0
229.12242	6.6
239.14291	13.0
241.12134	6.4
255.13905	7.1
255.17365	9.0
267.17355	8.5
269.19064	33.6
279.17532	22.1
297.18463	100.0
315.16006	11.9
315.19452	87.3
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	Cespihypotin R
Peak:m/z	Relative Intensity
55.05503	2.6
57.07066	1.7
67.05502	1.8
69.03418	2.4
69.07070	1.9
71.04974	1.5
73.49561	1.4
79.05509	2.0
81.07052	3.2
83.08615	1.8
86.64353	1.1
88.13277	1.4
89.97430	1.4
91.05495	2.2
93.07056	2.9
95.04961	6.0
95.08595	6.9
97.06532	4.7
105.07027	7.2
106.53521	1.4
107.08594	7.8
109.06525	7.4
109.10184	2.6
117.07008	2.0
119.08574	7.7
121.06509	2.8
121.10146	5.7
123.08036	1.5
129.07014	1.6
131.08543	5.8
133.06509	1.9
133.10130	6.2
135.08011	5.2
135.11710	2.0
137.02234	1.4
137.09607	2.3
143.08553	5.6
145.10088	9.3
147.08038	2.8
147.11765	2.2
149.05998	1.3
149.09622	2.1
151.07574	1.6
155.08582	6.1
157.10078	7.5
159.08028	2.9
159.11719	5.2
161.09610	6.1
163.11147	1.9
169.10098	7.3
171.08023	1.6
171.11690	6.8
173.09601	6.9
173.13275	2.0
175.11174	8.2
177.09055	2.2
177.12764	1.8
181.10110	5.5
183.11713	2.6
185.09659	5.9
185.13298	6.2
187.11197	7.1
189.09091	1.4
189.12793	2.3
195.11685	6.0
197.13260	5.4
199.07730	1.8
199.11166	6.3
199.14940	1.7
203.10745	1.6
207.11763	1.5
209.09653	2.1
209.13313	5.6
211.11163	2.2
211.14899	1.6
213.09167	3.0
213.12782	2.8
215.10732	1.6
215.14363	2.2
223.11198	2.5
223.14804	1.6
225.12804	2.4
225.16348	1.6
227.10695	1.9
227.14322	6.8
229.12230	5.2
235.14755	1.6
237.12787	2.5
241.12343	2.3
241.15648	2.7
247.99069	1.5
251.14346	2.2
251.18028	2.2
255.13779	5.9
255.17493	2.5
255.23769	1.4
257.15277	2.0
269.15302	3.0
269.19043	10.3
271.16849	1.7
273.14651	1.4
279.17432	3.1
287.05585	2.1
287.20111	4.9
295.61533	1.3
297.11343	2.6
297.15170	2.9
297.18500	21.5
315.05106	2.6
315.08560	9.4
315.12210	8.0
315.15933	23.6
315.19556	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	315.1953
Annotation	Triptoquinone H
Peak:m/z	Relative Intensity
51.57764	1.1
55.05495	1.7
57.43980	1.2
66.91433	1.0
67.05504	1.4
69.07048	2.9
79.05503	1.4
81.07066	1.6
83.04982	1.9
85.06531	1.8
95.08571	7.2
97.06490	1.4
109.10158	2.0
111.08078	13.6
113.09663	1.4
115.72869	1.2
121.06473	1.3
125.09579	1.8
131.04874	1.9
133.10010	1.7
143.04921	2.9
143.08514	1.9
145.06409	1.4
149.06023	12.2
157.06438	5.4
157.10077	2.5
161.05965	2.2
165.09117	9.7
171.08080	2.8
173.05971	2.9
175.07501	3.1
179.10614	4.9
181.06493	1.8
183.08054	3.0
183.11684	1.7
185.09578	10.1
189.09114	5.0
191.08981	2.7
191.10661	50.2
195.07979	2.2
195.11674	1.8
197.09601	2.4
199.07527	2.4
199.11221	2.2
201.09084	5.4
203.10710	10.4
203.12292	1.3
205.12236	1.7
207.10069	2.9
209.09569	1.6
209.13379	1.4
211.11151	2.2
213.09117	6.1
215.10683	23.1
217.12230	100.0
222.10495	2.2
223.11180	1.9
227.10590	2.1
229.12274	13.6
231.10088	2.9
231.13837	11.1
237.12779	13.6
238.42848	1.4
241.12213	9.9
243.13794	10.5
251.18016	1.7
254.13052	1.8
255.13818	13.7
257.15305	2.3
259.13162	2.1
269.19016	1.9
271.16937	2.1
272.14081	1.8
273.14841	21.2
279.17502	4.8
287.05392	1.6
287.19879	1.8
297.15186	1.8
297.18445	30.7
305.17722	1.3
306.58356	1.2
315.12399	2.4
315.15897	10.5
315.19479	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
50.13478	1.0
55.05509	1.6
57.07036	1.2
67.05488	2.6
68.85658	1.0
69.03383	1.4
69.07038	2.4
79.05480	1.4
81.07034	7.1
81.92884	1.1
83.04982	3.8
83.08608	1.3
91.05444	4.4
92.18740	1.2
93.07014	6.2
95.04955	2.0
95.08598	8.8
97.06487	1.5
105.07008	7.6
107.04927	1.6
107.08593	15.6
109.06477	5.5
109.07294	1.0
109.10129	6.5
111.40615	1.2
117.06989	2.2
119.04937	2.1
119.07779	2.2
119.08570	44.8
121.06461	2.1
121.10131	8.3
123.08027	2.1
125.05956	1.1
125.09531	1.1
131.08519	4.7
133.06517	3.6
133.10109	11.9
135.08038	8.7
135.11655	2.2
137.09616	17.5
143.08559	2.6
145.06435	1.7
145.10081	7.9
147.08037	4.9
147.11635	4.7
149.09566	6.9
151.07574	1.4
154.13022	1.2
155.08537	4.3
156.09326	1.2
157.10065	8.9
159.07996	2.5
159.11641	6.9
161.09572	10.8
161.13214	1.5
163.07455	1.1
169.10095	4.8
171.11655	5.6
173.09537	5.1
173.13223	1.7
175.07478	1.2
175.11136	2.4
177.09091	1.4
177.12709	6.5
181.10098	2.1
183.11650	4.8
185.09544	4.9
185.13211	4.8
187.11165	1.8
189.12697	4.6
195.11702	4.3
197.13220	4.7
199.11157	4.7
199.14783	4.2
201.12701	2.2
203.10538	1.6
209.13251	1.8
211.11049	5.4
211.14839	2.3
212.11853	1.3
213.09218	1.4
213.12689	4.5
213.16347	1.7
217.12154	2.5
221.13136	1.5
223.11206	1.6
223.14848	8.2
225.12479	1.3
227.10693	1.9
227.14226	1.5
227.17807	1.5
229.12207	2.5
237.12724	1.3
241.15904	1.8
241.19464	1.8
245.11531	1.3
251.17896	2.4
255.13675	4.1
255.17337	4.6
258.12683	1.3
259.13141	1.4
261.16052	1.4
269.18927	6.0
273.18423	2.0
279.17313	4.6
287.19849	1.7
297.15176	1.8
297.18445	26.7
315.12061	2.2
315.15729	14.9
315.19458	100.0
322.40775	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	315.1953
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
61.16075	0.5
66.25549	0.5
66.75894	0.5
67.05495	0.7
67.82037	0.5
69.07049	1.1
81.07050	1.4
83.04981	0.7
93.07041	0.8
95.04967	1.0
95.08578	1.0
97.06510	3.4
103.45287	0.6
105.07007	0.7
105.18794	0.6
106.10213	0.6
107.08603	2.2
109.10145	1.0
117.06981	0.6
119.08589	1.2
121.06468	1.0
121.10139	0.7
131.08530	1.1
133.10193	1.0
143.08554	1.1
145.06454	1.1
145.10143	0.9
147.08040	4.1
149.09552	0.8
155.08485	0.9
159.08061	0.8
159.11641	0.7
161.05910	0.7
161.09648	0.9
163.07507	2.9
167.08537	0.7
171.08044	3.6
173.09637	1.3
179.08488	0.9
181.10054	1.3
185.09608	0.9
187.11104	0.8
191.10591	1.0
194.10898	0.9
195.11623	2.2
197.09541	0.9
199.11159	1.3
203.10625	1.3
207.08121	0.6
208.12616	0.7
209.13333	1.3
211.11165	0.8
213.09087	1.0
213.12663	4.7
217.12239	0.9
222.10391	2.6
227.14302	2.3
229.12093	0.9
237.12762	6.1
237.16527	0.6
241.12286	0.7
255.13814	5.9
255.17409	0.8
257.15375	0.9
269.18759	2.2
273.14856	14.3
297.18454	3.0
300.06259	6.1
315.05118	0.9
315.08707	12.1
315.16098	5.7
315.19504	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	315.1953
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
55.05507	3.6
58.14235	1.4
60.23064	1.8
63.60899	1.9
69.07049	9.0
78.92933	1.9
81.07038	3.5
83.08639	2.8
95.08588	4.0
97.06531	20.0
99.08093	2.3
105.07005	2.7
107.08573	2.9
111.08064	3.7
112.12433	2.0
119.08566	2.0
121.10098	2.9
131.04878	2.9
133.10095	3.6
135.08095	2.4
143.08551	2.7
147.04321	2.4
147.08038	2.5
149.05965	12.5
149.09647	2.1
156.90053	1.7
157.06526	2.3
157.10023	2.8
161.09616	2.9
161.13229	2.1
163.07512	3.7
164.48224	1.7
165.09073	10.2
167.08478	2.0
171.08012	2.2
171.11726	2.4
175.07533	9.8
185.09633	2.1
189.09068	7.3
191.10667	55.0
195.07962	2.2
195.11678	2.2
199.11140	3.3
201.12730	2.4
203.10674	9.1
205.12212	3.1
207.10124	3.3
209.13205	7.3
213.08997	3.5
213.12675	7.9
217.12216	65.1
224.59242	1.9
229.12149	14.0
231.10150	3.2
231.13681	8.0
237.12698	10.6
245.11655	8.0
251.18036	2.6
254.12875	2.7
255.13698	8.6
257.15286	10.0
271.16904	2.7
273.14825	7.6
273.18698	2.4
279.17355	3.1
287.19876	3.2
297.18503	18.5
315.16153	4.4
315.19498	100.0
335.18192	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	315.1954
Annotation	Triptobenzene N
Peak:m/z	Relative Intensity
53.21333	2.4
57.07090	3.3
65.77711	2.2
66.45533	2.2
69.07060	3.9
79.55040	2.7
79.59633	2.1
81.07053	3.7
83.04971	3.0
83.08591	2.4
91.05464	3.2
95.04284	2.0
95.08604	2.3
105.07025	4.0
107.08536	2.3
109.06514	2.4
111.08071	5.1
119.08548	5.6
125.09616	5.8
131.08531	3.2
133.10158	10.3
135.08057	17.3
137.09647	20.0
143.08539	4.0
149.09624	22.4
155.08554	3.9
157.10094	9.8
159.08032	10.3
161.09604	11.0
169.10092	3.6
171.08023	3.1
171.11632	4.9
173.09604	9.7
183.11725	3.5
185.09549	3.3
187.11201	11.9
195.11664	5.7
197.09645	3.2
199.11162	14.6
201.12738	9.8
209.13130	4.0
211.11154	12.0
211.14815	5.7
213.12857	5.9
214.26611	2.7
220.12427	4.3
225.16365	5.8
227.14301	4.1
235.14696	10.7
237.12718	4.1
237.16434	4.8
243.17540	4.3
251.17833	3.0
253.15855	35.3
255.13884	3.7
255.17409	5.5
269.15607	4.9
269.18994	14.3
271.16888	31.6
279.17484	17.5
292.20395	2.7
297.18463	72.5
315.19531	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	315.232
Annotation	Cardol triene
Peak:m/z	Relative Intensity
52.21021	4.5
55.05523	5.3
56.24631	5.1
57.07076	10.7
67.13523	5.1
69.07072	67.6
78.88013	4.8
79.05497	4.9
81.07032	6.6
82.09614	5.4
83.08624	21.5
93.07047	19.1
95.08599	9.1
107.08591	21.9
121.10124	6.1
124.92294	4.9
131.08609	7.3
145.10121	5.8
149.13316	9.4
149.20787	6.8
158.34569	4.9
173.09586	7.4
199.14893	5.8
205.18910	5.6
261.15375	5.2
315.19711	10.9
315.23178	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	315.2317
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.54844	15.4
55.10735	14.0
57.07069	24.7
69.07060	96.2
74.24049	14.2
76.57417	17.9
83.08612	24.1
95.08594	18.5
107.08579	36.5
121.10151	26.1
180.73515	17.9
297.18384	17.9
315.19763	35.5
315.23227	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	315.2531
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.05517	8.3
57.66187	3.3
66.43485	3.4
67.05504	63.2
69.07061	19.2
71.04963	7.8
75.66116	3.5
79.05510	14.3
81.07063	100.0
81.23960	3.8
83.08623	8.1
85.06547	6.6
91.05460	15.0
93.07055	26.7
95.08602	95.7
97.06522	7.5
97.10149	18.6
99.08080	4.1
105.07011	14.9
107.08590	24.6
109.10163	56.9
119.08569	15.1
121.10120	32.8
123.08104	4.0
123.11709	22.3
131.08597	4.5
133.10124	7.9
135.11681	26.1
137.13258	9.0
145.10100	5.1
147.11694	15.9
151.11215	6.3
159.11732	5.3
161.13271	15.6
165.12640	5.1
173.13383	4.0
187.14813	7.1
198.18309	3.8
209.15376	3.6
211.26619	3.7
237.12662	5.6
243.21115	7.5
261.22134	25.3
279.23132	94.5
288.33643	4.1
297.24210	41.8
310.80524	4.1
315.15982	5.0
315.19476	8.5
315.25397	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	316.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48991	1.2
61.02909	1.2
63.48014	1.2
69.03394	1.3
70.06570	3.2
72.08123	1.3
73.02899	1.6
77.09007	1.2
78.03448	1.0
81.03423	2.3
85.02879	8.4
97.02872	2.3
98.86455	1.2
98.97569	2.2
101.06033	1.8
104.80851	1.4
107.37699	1.3
116.07076	2.0
118.90378	1.3
122.07120	2.7
124.03941	11.8
127.61569	1.3
136.07570	18.4
137.05959	2.5
140.03371	5.8
142.08604	2.9
152.05751	1.3
152.06982	2.1
154.04970	2.8
154.08606	14.1
165.07355	2.0
167.01642	1.7
170.08138	2.0
198.04167	1.3
211.00589	2.4
211.07301	1.5
252.09599	1.6
270.10864	1.7
308.82065	1.3
316.07846	100.0
316.13290	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	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03443	0.5
58.15890	0.5
59.05000	1.0
65.03917	0.5
68.58527	0.5
69.03414	2.9
70.06590	3.0
71.01355	2.0
73.02908	2.8
73.44913	0.5
75.04484	7.9
78.03429	0.7
81.03414	3.5
83.01346	3.2
83.72665	0.5
85.02907	2.3
86.06058	4.0
86.09698	2.9
87.04464	2.1
97.02902	10.6
99.00808	0.7
101.02392	7.3
101.06081	0.7
106.02915	6.3
111.04435	2.8
113.02359	1.1
115.03931	1.3
116.07099	6.8
121.49161	0.7
124.03950	100.0
124.07536	0.8
125.02337	2.9
127.03906	2.2
129.05463	5.2
136.07539	0.8
138.05501	11.5
143.03410	0.9
151.60336	0.5
154.08626	3.0
157.04927	1.0
173.12808	1.2
185.74713	0.6
193.07079	9.9
203.10216	1.0
218.88680	0.7
245.14975	3.4
275.06046	0.8
298.09238	8.6
316.10342	22.2
316.13705	3.2
316.18799	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	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08154	1.2
104.48347	1.3
105.44314	1.3
109.02891	1.5
123.80799	1.5
150.41602	1.3
154.08626	2.4
169.03244	2.1
176.08328	1.4
179.08553	5.0
183.08046	55.3
207.08032	73.6
209.06328	2.4
209.09599	13.7
211.07524	12.7
224.10666	3.2
225.09111	1.9
229.08586	8.5
235.07477	10.8
239.07159	1.5
244.82755	1.6
253.08575	100.0
257.08051	83.0
266.08905	2.0
270.11237	58.2
281.08118	1.6
299.09122	63.9
316.11752	35.2
316.19696	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	316.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.2
62.84766	0.4
66.30908	0.4
68.75856	0.5
77.31075	0.6
117.33306	0.6
120.01260	0.6
128.09291	0.6
133.06451	0.6
135.08035	1.0
139.02007	1.6
145.06477	0.7
150.71846	0.5
152.04677	1.0
153.00047	2.0
153.05443	5.9
155.01567	1.2
161.05943	2.8
162.06732	3.2
163.07562	4.2
167.01619	11.7
169.03180	16.3
176.08313	3.3
177.03667	3.0
178.03181	0.7
181.13504	0.5
193.03236	4.6
194.09380	100.0
195.04729	14.4
203.05263	2.1
209.06332	7.9
224.03712	5.9
227.07362	8.6
247.20894	0.5
281.08469	3.9
298.11050	4.4
299.09467	16.7
316.12131	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01879	0.4
55.05511	0.6
57.03445	0.5
61.02914	0.8
69.03431	3.3
70.06587	0.7
81.03423	0.9
81.07035	0.5
83.08620	0.6
84.08106	0.6
85.02897	8.4
87.04436	0.4
91.03933	0.5
93.07006	1.5
97.02888	3.7
98.06058	0.5
98.09683	1.8
99.04414	0.4
108.08103	1.0
109.02863	0.5
109.06502	1.9
110.06033	0.8
110.09659	0.6
111.04424	0.6
111.08056	0.7
114.12807	0.4
116.07079	0.4
124.03927	4.0
124.07558	0.6
126.09148	12.7
127.03934	1.7
135.63509	0.4
136.03943	1.6
136.07565	2.8
138.09117	0.9
140.10712	0.8
145.04939	0.6
152.10670	0.6
153.05513	0.7
154.08620	100.0
155.09399	0.6
163.47829	0.5
166.08606	0.7
168.10139	0.6
177.09163	0.5
194.09366	2.5
196.09726	0.9
270.11539	0.9
299.09387	0.7
316.14124	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	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01879	0.4
55.05511	0.6
57.03445	0.5
61.02914	0.8
69.03431	3.3
70.06587	0.7
81.03423	0.9
81.07035	0.5
83.08620	0.6
84.08106	0.6
85.02897	8.4
87.04436	0.4
91.03933	0.5
93.07006	1.5
97.02888	3.7
98.06058	0.5
98.09683	1.8
99.04414	0.4
108.08103	1.0
109.02863	0.5
109.06502	1.9
110.06033	0.8
110.09659	0.6
111.04424	0.6
111.08056	0.7
114.12807	0.4
116.07079	0.4
124.03927	4.0
124.07558	0.6
126.09148	12.7
127.03934	1.7
135.63509	0.4
136.03943	1.6
136.07565	2.8
138.09117	0.9
140.10712	0.8
145.04939	0.6
152.10670	0.6
153.05513	0.7
154.08620	100.0
155.09399	0.6
163.47829	0.5
166.08606	0.7
168.10139	0.6
177.09163	0.5
194.09366	2.5
196.09726	0.9
270.11539	0.9
299.09387	0.7
316.14124	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70208	0.4
61.02953	0.3
63.97364	0.4
69.03422	2.0
71.05008	0.3
72.08127	0.4
72.66412	0.4
73.02902	0.4
76.93348	0.3
81.03438	1.2
81.07040	0.7
82.06570	0.6
85.02905	6.2
86.09707	0.4
87.04448	0.6
91.05481	1.4
92.17936	0.6
94.06545	0.5
95.04923	0.4
97.02876	2.8
98.15922	0.4
99.04449	0.5
100.43972	0.4
102.18571	0.4
105.23666	0.4
107.32451	0.3
108.08118	20.8
108.08858	0.8
109.02885	0.9
109.06509	0.6
124.07585	14.0
127.03892	1.5
127.57325	0.4
128.51508	0.4
133.61298	0.4
136.07578	12.0
137.05963	0.5
146.08365	0.4
150.09167	0.5
154.08621	100.0
166.08640	0.6
178.08640	0.8
196.09653	0.5
295.12869	0.4
316.13922	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	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84441	0.8
55.05509	1.0
56.05035	3.0
57.07070	1.6
60.04529	100.0
67.05502	8.3
69.07050	6.0
72.04498	2.0
77.77398	0.8
79.05472	1.8
80.05004	1.0
80.92952	0.9
81.07065	8.8
82.77335	1.0
83.08601	3.8
90.05539	1.1
92.18435	1.9
93.07016	1.5
95.08597	11.6
97.10173	1.3
105.07072	1.2
107.08569	1.8
109.02615	0.8
109.10145	5.7
119.08566	1.6
121.10119	1.4
182.86017	0.8
187.48546	0.9
250.25294	1.2
262.25220	1.4
280.26367	9.6
298.27380	9.2
316.20105	1.7
316.28439	77.8
337.65073	0.9
339.87909	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05508	1.6
56.05026	2.3
57.07076	1.6
60.04530	100.0
63.65828	0.9
64.70277	0.9
67.05510	9.0
69.07041	5.6
72.04507	1.8
74.06065	1.6
79.05465	3.8
81.06641	1.0
81.07067	10.6
83.08593	4.8
91.05469	1.2
92.17723	1.4
93.07038	4.1
95.08620	8.9
96.08097	1.4
97.10159	3.8
105.07019	1.3
107.08578	1.5
109.10130	2.0
119.08542	1.6
146.33023	1.1
218.83920	1.1
250.25203	1.6
280.26312	8.2
298.27539	9.1
316.28445	77.9
318.27368	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.07948	0.5
57.07071	1.3
60.04530	100.0
70.06573	0.6
71.08637	0.8
72.04514	0.8
88.07626	3.5
98.12125	0.5
106.08675	3.7
128.93843	0.6
197.38342	0.5
202.95074	0.6
205.79535	0.6
221.45726	0.7
254.28384	2.5
258.95212	0.6
280.26331	2.8
293.39066	0.5
298.27405	2.6
316.16373	0.7
316.28476	6.8
316.32132	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	317.0632
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
57.03421	2.1
63.07372	1.6
69.03411	7.1
69.63016	1.5
80.70051	1.8
81.03426	13.1
85.02881	17.0
97.02836	3.4
109.02869	18.6
111.13344	1.5
113.41470	1.7
127.03854	7.2
144.03529	2.0
145.04919	2.0
146.04932	7.0
155.05397	4.0
155.08118	3.0
158.53604	2.1
168.02487	2.0
178.96786	1.9
196.97763	4.0
208.97816	1.9
209.11598	1.8
220.06886	2.0
227.07510	3.1
251.04369	2.3
253.07506	2.0
269.05139	2.4
276.06824	39.0
291.09128	7.9
294.07800	3.2
307.92496	1.8
309.10318	2.4
317.02069	13.8
317.06195	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	317.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22503	1.4
52.78848	1.4
57.03416	1.8
61.02898	1.8
69.03403	3.1
71.01139	1.5
72.08141	4.3
73.02909	2.2
81.03393	8.2
84.04454	2.7
84.08144	13.2
85.02877	10.6
86.09689	2.5
90.05517	2.2
97.02869	2.7
98.97551	2.3
109.02847	3.6
122.05984	4.1
122.07037	2.1
129.10197	13.9
136.07616	2.7
139.03839	3.0
140.02338	1.9
150.05502	4.3
154.75896	1.7
155.04390	1.9
158.11702	8.3
158.99557	2.7
166.00293	1.8
169.01941	1.6
170.05090	2.4
173.01114	2.1
176.71884	1.7
177.04161	3.8
182.12926	2.7
182.96100	2.1
183.11192	2.6
220.05919	9.9
228.13266	2.1
252.05655	1.8
260.88318	1.7
273.54355	2.2
296.58096	1.9
317.06180	100.0
317.11899	10.1
317.21408	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	317.0654
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
57.82087	0.2
67.49378	0.2
95.08587	0.3
99.55312	0.3
107.08575	0.3
121.02866	1.1
123.04396	0.3
125.02348	0.6
137.02336	3.0
147.11681	0.3
149.02330	0.6
151.03894	0.6
163.03882	0.3
167.03410	3.0
175.43762	0.3
179.03392	2.6
197.04420	1.2
212.59729	0.3
215.07060	1.3
215.41960	0.3
220.14600	0.2
239.14345	0.4
243.06531	3.9
254.05428	0.3
260.85733	0.3
261.07553	1.0
271.05975	3.9
274.04718	1.7
288.06226	0.6
288.45496	0.3
289.07278	0.3
299.05493	1.0
299.19916	0.4
302.04184	2.5
317.06537	100.0
317.21118	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	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26267	0.3
58.24594	0.2
66.79720	0.3
81.07045	0.4
82.48985	0.3
85.02884	0.3
90.99883	0.3
92.02612	0.6
95.08589	0.4
109.02906	0.4
109.10166	0.4
119.08587	0.4
123.04424	1.4
133.10051	0.3
137.05974	0.6
139.03894	1.9
147.04338	0.6
151.03856	1.3
153.01828	5.7
165.01804	1.3
165.05463	3.5
165.68903	0.3
177.05424	0.4
228.04436	0.4
229.04890	2.4
245.04254	0.3
246.05113	0.4
257.04382	4.1
261.07639	0.4
263.10547	0.3
271.05954	0.4
273.03955	1.6
274.04697	6.8
285.03894	8.9
299.20129	0.4
302.04184	30.8
317.06549	100.0
317.20834	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.59178	0.3
58.49931	0.3
64.13976	0.3
92.18507	0.4
108.19135	0.3
115.27209	0.3
121.02887	0.4
139.03882	1.8
145.76906	0.3
151.03865	0.7
153.01811	5.2
165.01773	1.2
177.05347	0.3
228.04007	0.7
229.04897	2.7
233.04630	0.4
246.05168	0.8
257.04425	3.8
261.07602	0.8
273.03885	1.8
274.04672	7.1
285.03918	9.1
302.04178	30.0
317.06528	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	317.0656
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
51.15348	0.1
74.30436	0.2
93.07053	0.2
95.08590	0.8
104.57739	0.2
104.69049	0.2
105.06941	0.2
107.08588	0.3
109.10149	0.4
119.08612	0.3
121.02852	1.2
123.04427	1.1
125.02325	0.3
131.08525	0.2
133.10152	0.4
137.02348	2.7
137.05972	0.7
137.09599	0.3
141.05365	0.3
142.61995	0.2
145.10107	0.3
148.61469	0.2
149.02339	0.7
151.03859	0.7
161.09618	0.2
163.03873	0.8
165.05501	0.7
167.03371	3.1
173.13174	0.2
179.03398	2.4
180.04115	0.4
183.11652	0.2
187.11154	0.3
197.04425	1.2
215.07005	1.0
243.06503	4.4
261.07535	0.8
271.05997	2.9
274.04782	1.6
281.19070	0.4
288.06250	0.9
289.06921	0.4
299.05460	1.4
299.16666	0.2
299.20068	0.9
302.04126	3.2
317.06543	100.0
317.20898	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	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
69.07040	0.4
81.07039	0.8
86.05617	0.3
92.02628	0.5
93.07025	0.5
95.04950	0.3
95.08595	0.7
98.36955	0.3
105.07047	0.6
107.08572	1.4
109.06486	0.5
109.10141	0.6
117.06944	0.5
119.08556	0.7
121.02869	0.6
121.06490	0.5
121.10120	0.6
123.04377	1.8
129.06955	0.4
133.10146	0.5
137.05954	0.6
137.09599	0.4
139.03879	2.7
143.08647	0.5
145.10097	0.6
149.09674	0.5
151.03899	1.8
151.07472	0.4
153.01805	5.0
157.10104	0.6
159.11650	0.6
161.09602	0.6
165.01837	1.4
165.05447	2.5
165.09090	0.6
169.10173	0.4
171.11691	0.5
173.09599	0.4
197.13272	0.5
201.12721	0.4
201.16635	0.4
215.14177	0.5
225.12703	0.5
228.04102	0.5
229.04881	3.0
246.05232	0.6
253.19308	0.5
257.04398	4.0
271.20609	0.4
273.03848	1.5
274.04691	5.3
281.18835	0.4
285.03922	8.1
299.19998	2.6
302.04190	29.0
302.13837	0.5
308.35675	0.3
317.06531	100.0
317.20993	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	317.0657
Annotation	Junipegenin A
Peak:m/z	Relative Intensity
55.01878	0.5
68.16368	0.3
68.99791	1.2
77.68633	0.2
85.02914	0.3
86.09692	0.3
91.05463	0.3
92.36870	0.2
97.02889	0.3
111.04437	0.6
121.10072	0.3
123.04388	1.4
133.91090	0.3
137.05994	2.7
139.03906	100.0
143.04913	0.3
147.04460	0.3
151.03900	6.9
157.06442	0.3
161.06107	0.4
163.03885	1.2
165.05453	0.4
166.24217	0.3
179.03389	20.1
179.06979	0.4
185.05952	0.5
189.05464	0.6
191.03320	0.4
193.05017	0.3
197.05994	0.6
201.05368	0.4
203.03358	0.6
205.05055	0.3
211.03894	0.3
213.05412	2.3
225.05629	0.4
229.02972	0.3
229.04906	1.9
231.06520	1.7
243.06520	0.5
245.04407	0.6
247.34668	0.3
253.05002	1.1
256.21762	0.3
257.04413	5.0
271.05972	4.7
271.20584	0.4
275.05597	0.4
289.07263	0.3
299.05490	10.9
317.06558	35.7
317.20993	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	317.1019
Annotation	Philenopteran
Peak:m/z	Relative Intensity
58.71201	0.5
61.71474	0.5
61.97938	0.5
67.05511	5.4
68.99815	0.5
71.01326	2.9
79.05504	0.6
81.07052	0.6
83.04964	0.6
85.02905	0.5
89.02395	0.9
91.05452	1.1
93.07027	1.3
95.04961	0.8
95.08604	1.0
105.07024	2.3
105.97506	0.6
107.04919	1.1
107.08543	1.2
113.02350	2.5
117.06964	2.7
119.08553	0.9
123.08060	0.6
135.08023	2.3
137.06050	0.7
143.08521	4.2
145.06480	4.8
147.04428	5.7
147.11647	0.8
151.07558	4.5
155.08574	0.8
157.06435	1.0
159.08069	1.1
161.05972	1.3
165.05621	0.7
171.04395	7.5
171.08011	3.3
173.18547	0.5
175.07544	8.6
177.09088	4.3
183.08022	2.7
185.13271	0.7
187.07538	2.4
189.05457	1.3
189.09172	0.8
193.10117	0.7
195.08298	0.6
195.10155	4.8
195.11711	0.8
197.09589	0.7
203.10692	3.7
211.07541	0.6
211.11102	0.9
213.05470	0.7
215.10701	0.9
221.09563	2.5
221.11736	3.2
223.11197	1.1
228.07741	3.9
229.08583	50.1
229.15849	1.0
234.10292	0.6
241.15945	0.8
249.12744	3.2
253.12192	0.8
255.10028	2.4
255.13873	3.9
257.08069	38.0
267.13678	0.9
271.09631	0.8
271.13263	1.1
273.14774	1.2
281.08041	1.3
281.15402	1.0
299.05823	1.1
299.09125	22.5
299.16357	4.9
299.19995	2.4
317.10165	100.0
317.17426	10.3
317.21060	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	317.123
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.13384	0.8
52.55348	0.8
61.02919	1.2
69.03450	4.0
73.02880	1.1
81.03422	5.0
84.08138	1.7
85.02905	21.7
86.09707	3.9
91.05473	10.5
93.07068	1.3
97.02875	11.2
103.03948	1.6
105.07024	2.0
109.02860	2.2
109.06527	2.0
119.04944	6.5
121.06534	1.7
123.04416	2.3
127.03954	2.0
129.07043	2.0
131.04955	1.2
133.06477	1.9
137.05968	100.0
139.03877	12.7
139.04742	0.9
140.08174	1.1
143.04900	1.5
145.04993	1.6
145.06479	1.4
145.10086	1.3
147.04466	2.1
147.08005	1.0
149.05965	7.9
151.07524	18.2
155.07050	6.4
157.06464	7.8
161.05977	11.0
165.05450	11.3
167.07059	1.4
173.06049	4.0
175.07458	8.3
177.05470	1.7
179.03474	3.8
179.07004	23.1
181.06390	3.0
185.06033	4.5
187.07491	1.9
189.05403	1.4
191.07034	4.3
199.07526	2.0
203.07008	18.2
205.08656	4.3
217.08665	4.2
221.08145	8.8
227.07248	1.0
233.08168	3.9
245.07999	9.6
251.09221	1.9
263.09137	11.6
281.10269	3.8
299.05499	1.2
299.11340	1.3
299.17017	1.0
317.06738	6.8
317.12088	25.5
317.17911	1.1
317.21103	8.5
329.03604	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	317.1382
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
52.22309	1.5
55.01876	1.8
59.75399	1.2
60.60665	1.3
69.07056	1.8
81.07055	7.6
85.02922	1.8
87.61694	1.5
91.05476	15.4
93.07033	3.3
95.04955	7.1
95.08598	3.3
98.76191	1.6
105.06998	3.5
107.04896	2.3
107.08585	7.1
109.06499	5.9
118.01716	1.5
119.04941	17.2
119.08532	5.8
121.06483	16.4
121.10178	1.8
123.04449	16.0
129.06998	20.2
131.04941	1.6
131.08583	1.8
133.10126	2.4
137.05971	100.0
145.06386	3.0
145.10077	3.3
147.04416	21.2
147.08018	9.2
147.11710	2.5
149.05949	21.1
150.06749	3.7
151.07526	61.2
155.08498	1.9
157.06468	14.8
157.10063	3.3
159.11633	2.2
159.44943	1.5
161.06001	6.9
163.07561	1.9
165.05449	12.6
165.06839	4.5
167.08539	6.4
171.11670	2.3
175.07532	35.0
183.08049	3.1
183.11713	2.7
189.09172	1.7
193.06535	8.9
193.08400	2.0
193.10110	6.1
195.08066	9.0
197.13217	2.1
199.14839	2.0
201.12735	17.8
210.06816	3.4
211.07533	9.9
213.09100	8.7
221.06056	13.4
221.09486	10.8
223.07527	3.5
225.09082	13.8
227.10681	3.3
239.07132	11.4
239.10573	3.4
241.08582	8.8
253.08618	17.2
253.12195	7.3
255.10199	1.6
256.07336	2.0
258.08850	3.4
270.08868	2.5
271.09622	24.6
273.11185	18.2
281.11694	2.6
281.18997	1.9
299.12714	22.2
299.20044	3.6
317.06592	1.9
317.13922	27.0
317.17422	7.7
317.20975	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	317.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03416	1.5
64.97800	1.6
67.05502	3.5
69.03436	2.1
69.07066	3.3
79.05490	7.3
81.07051	7.1
83.01324	1.4
83.04961	2.7
83.08561	1.8
85.06489	1.5
90.22010	1.6
91.05499	14.5
92.18498	1.9
93.07024	9.2
95.04957	6.4
95.08601	11.6
97.06545	2.0
105.07021	9.6
107.04971	2.4
107.08578	10.3
107.87519	1.8
109.06486	6.3
109.10143	8.5
119.04922	9.2
119.08540	13.6
121.06464	15.7
121.10125	9.9
123.04385	11.6
123.08057	3.6
129.06996	11.8
130.68811	1.7
131.04942	6.8
131.08580	6.9
133.10133	12.1
135.04366	3.8
135.08087	3.7
135.11674	2.6
137.05980	100.0
137.07039	3.5
137.09579	2.9
143.08548	3.8
145.10135	11.9
147.04399	12.2
147.08044	8.8
147.11694	6.4
149.05960	22.9
149.09575	3.4
150.06778	3.4
151.03954	2.2
151.07524	45.8
155.08517	3.7
157.06444	11.2
157.10124	9.1
159.11678	8.7
161.05910	2.8
161.13292	2.4
163.03844	2.7
163.07526	2.9
165.05478	5.9
165.06926	1.9
167.07048	14.7
169.10051	2.4
171.11641	8.9
173.09607	2.2
173.13217	8.5
175.07516	22.8
175.11127	6.4
179.08563	1.5
181.08568	1.7
181.12076	1.7
183.11685	6.5
185.13254	7.4
187.14810	1.9
189.09174	2.6
193.06500	5.7
193.10132	3.4
195.07994	3.3
197.13332	5.4
199.14822	3.7
201.12837	1.8
201.16367	2.0
209.13280	1.9
210.06660	1.8
211.07526	10.6
211.14838	2.1
213.09090	8.2
213.12665	3.2
215.14342	2.2
221.05975	9.1
221.09535	3.1
223.14665	1.5
225.09108	7.1
225.16310	2.0
239.06998	8.7
239.17935	2.1
241.08441	2.6
241.12151	1.7
241.15895	3.1
249.09085	2.6
253.08493	8.5
253.12151	9.5
253.19493	6.2
257.07953	1.9
257.15271	3.5
258.09036	1.7
269.19073	2.0
271.09613	22.3
271.16830	3.2
271.20413	3.2
273.11154	15.5
281.11578	2.5
281.18939	8.3
299.09180	7.6
299.12744	18.2
299.16837	2.2
299.19992	24.5
317.10083	5.4
317.13794	15.2
317.17456	14.1
317.21097	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04245	1.4
60.04527	33.5
61.04849	2.6
65.84057	1.0
78.87752	1.3
82.14152	1.0
317.17215	100.0
317.28793	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	317.1745
Annotation	1-Dehydro-15alpha-hydroxytestololactone
Peak:m/z	Relative Intensity
50.94390	1.6
63.09471	1.7
69.03438	4.2
69.07066	2.9
79.05477	3.1
81.07053	10.2
83.04947	2.8
85.71579	1.9
87.29581	2.0
91.05500	4.3
93.07037	4.8
96.09673	2.3
105.07011	2.8
107.08584	18.1
109.06522	8.6
114.90697	2.0
117.06994	2.6
119.08572	5.1
121.06525	9.6
123.08099	3.1
129.06989	3.7
131.08580	10.7
133.10094	2.6
135.07986	6.3
141.06934	3.1
143.08571	5.2
143.91455	2.1
145.10182	7.9
147.08067	8.5
149.09644	4.5
154.07878	3.1
154.29253	2.0
155.08533	14.6
156.09338	2.4
157.10077	2.3
159.08083	12.4
161.09662	2.7
167.08566	2.8
169.10104	18.7
171.11685	2.9
173.09641	4.9
179.08582	2.2
181.10143	9.1
182.10910	3.5
183.11699	8.0
185.13248	2.9
195.08095	3.6
195.11818	4.0
196.08849	4.0
197.09653	9.3
197.13341	10.8
206.10921	4.8
210.10420	12.9
211.11285	11.5
211.14717	7.5
213.12732	24.6
215.14285	2.4
221.13275	4.6
224.11980	9.5
229.12283	8.7
229.15855	3.9
239.14294	75.6
257.15353	43.6
271.20480	4.0
299.16296	3.0
299.19998	2.2
300.92535	2.1
317.06824	2.3
317.17529	100.0
317.21069	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	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
52.36420	1.6
55.01877	1.9
55.05499	1.8
61.22509	1.7
61.43554	1.5
63.03393	1.4
67.05481	1.7
69.03419	4.3
69.07063	2.0
70.63672	1.7
79.05498	4.3
79.23885	2.0
79.41726	1.8
81.07043	12.1
83.04958	1.9
91.05470	2.3
93.07062	3.6
95.04936	1.7
95.08596	1.8
105.07043	15.9
105.14110	1.8
107.08597	15.5
109.06487	8.2
117.06891	2.2
119.08594	6.6
121.06503	10.8
129.06972	11.7
131.08577	10.2
133.10138	3.0
135.08084	10.3
141.06953	4.1
143.08562	9.4
143.34460	1.6
145.06490	2.5
145.10106	2.1
147.08052	9.7
149.09624	3.9
155.08536	14.9
156.09334	2.1
157.10114	4.0
159.08028	12.9
161.09589	3.6
167.08553	3.8
168.09361	2.6
169.10159	12.7
171.07948	2.1
173.09634	4.4
179.08501	3.7
181.10094	3.3
182.10951	4.0
183.11690	11.1
185.09602	3.2
187.11227	2.1
193.10069	3.7
195.08049	2.3
196.08835	4.0
196.12419	7.0
197.09644	10.7
197.13271	11.4
198.10368	2.6
199.11267	2.5
201.12724	2.3
206.10909	8.8
209.09601	3.5
210.10356	20.2
211.11168	9.2
211.14813	10.0
213.02425	2.3
213.12666	29.2
214.13454	3.0
215.10590	2.3
215.14505	2.7
221.13242	7.2
224.11940	14.6
228.11473	3.1
229.12218	10.2
239.14284	78.1
257.15326	45.6
262.28998	1.9
291.09854	1.9
299.16449	4.0
317.17490	100.0
317.20822	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	317.1746
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.50184	0.7
55.05505	1.1
62.02280	0.9
67.05497	3.9
69.07051	1.9
79.05508	3.8
81.07060	2.1
83.08611	1.1
85.02890	2.1
91.05486	1.9
92.17941	2.1
93.07040	8.9
95.04927	3.6
95.08603	5.5
105.07025	5.7
107.04942	1.5
107.08601	4.8
109.06522	9.7
109.10152	4.9
119.08558	4.7
121.06487	4.8
121.10053	3.1
123.04420	2.1
123.08048	4.6
131.08542	4.3
133.06487	2.2
133.10127	2.3
135.08046	2.2
135.11688	2.3
137.05998	3.4
137.09615	4.6
143.08583	2.0
145.10127	5.7
147.08072	4.0
149.05962	1.5
149.09621	4.1
151.07487	1.4
151.11183	7.9
157.10110	1.9
159.08041	3.8
159.11661	3.8
161.09624	1.5
163.07565	1.6
165.09114	1.9
169.10175	2.4
173.09590	3.8
177.09157	1.1
179.10646	5.6
180.11482	4.0
183.11649	1.3
187.07552	1.3
187.11240	2.1
187.14815	1.6
193.10214	1.2
195.11658	1.8
196.08791	1.5
197.09723	1.9
197.13249	2.2
201.12717	4.1
202.94162	0.9
211.11226	5.8
211.14709	3.6
213.12804	1.1
214.13524	5.6
215.10674	1.4
215.14323	5.2
220.12569	1.2
224.11925	1.2
225.12871	1.1
225.16412	3.8
227.14232	1.3
229.12242	1.9
239.10783	1.2
243.13770	1.4
243.17622	1.2
253.15851	4.1
257.15332	4.3
271.16940	8.3
299.16562	11.2
317.17496	100.0
317.20963	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	317.1745
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.85072	1.8
52.16911	1.6
55.05520	2.2
59.21792	1.6
63.81281	1.6
64.17051	1.6
65.25856	1.8
69.03425	3.7
79.05472	4.7
81.07036	9.0
91.05465	4.3
93.07037	3.4
98.64905	2.2
99.31113	2.2
105.07030	7.9
107.08582	12.5
109.06490	3.5
119.08588	7.0
121.06486	7.7
128.06134	2.1
129.06990	8.2
131.08553	4.1
135.08040	4.0
141.06960	2.2
143.08580	9.0
145.06459	4.3
145.10101	3.3
147.08038	10.5
149.09619	7.5
155.08534	14.5
159.07993	11.1
161.09586	2.2
167.08580	3.1
169.10068	12.9
173.09579	4.2
179.08557	7.3
181.10109	4.4
182.10837	3.7
183.07945	2.1
183.11729	10.5
185.09550	3.3
191.08582	2.6
193.10173	3.0
195.08049	4.1
196.12491	3.1
197.09605	10.7
197.13272	9.6
199.11122	2.6
206.10977	3.4
210.10326	14.9
211.11224	11.1
211.14806	9.4
213.09203	1.9
213.12708	24.8
215.14313	3.7
221.13269	8.2
224.11975	12.0
228.11362	3.8
229.12256	9.6
229.15927	3.5
239.14284	74.9
257.15341	39.6
258.81653	1.9
317.17484	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	317.1745
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
55.05515	1.7
66.32244	1.3
69.03421	2.9
69.07048	3.4
79.05486	2.4
81.07071	6.7
91.05470	2.4
93.07027	8.0
97.92622	1.9
105.07028	2.6
106.96151	1.6
107.08579	9.4
109.06502	2.4
117.78928	1.6
119.08561	3.4
121.06477	8.2
123.08036	1.8
126.97645	1.7
129.06950	3.2
131.08533	8.1
135.08035	7.5
143.08562	9.2
145.06454	3.1
145.10107	2.5
147.08049	9.7
149.09587	4.0
155.08502	10.8
155.10420	1.6
157.10101	3.2
159.08022	10.6
161.09700	3.1
167.08479	3.3
169.10185	13.4
171.08067	1.9
171.11627	1.9
173.09573	7.6
179.08502	2.1
181.10103	7.0
182.10858	3.0
183.11624	7.1
191.08578	2.0
192.09373	2.3
195.08092	6.4
196.08850	6.6
196.12416	2.8
197.09521	12.3
197.13274	9.4
199.11229	2.0
206.10869	7.8
210.10376	17.1
211.11151	3.4
211.14830	6.8
213.12730	21.4
215.14317	2.7
221.13206	8.8
224.11960	8.7
228.11453	3.5
229.12233	12.9
229.15880	3.8
239.14291	68.1
257.15302	37.3
260.11078	1.9
276.72330	1.9
317.17444	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	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
52.70314	1.7
69.03406	3.6
77.78400	1.6
79.05470	7.0
81.07044	12.1
85.33832	1.6
95.04917	2.7
105.07039	3.5
107.08570	10.7
109.06493	3.8
117.07010	3.7
119.08562	3.2
121.06532	3.8
129.06987	3.8
131.08556	7.8
133.10030	2.4
135.08028	3.2
141.07007	2.4
143.08502	8.2
145.06485	2.5
145.10114	4.2
147.08031	11.7
149.09560	3.1
155.08510	9.2
157.10126	2.9
159.08022	7.9
159.11708	1.7
161.09561	3.8
165.06967	1.8
168.09309	2.1
169.10110	12.4
173.09659	3.3
179.08546	7.1
181.10031	6.2
183.11655	7.8
185.09534	2.2
193.10126	3.5
195.08035	3.3
196.08849	2.5
197.09607	8.5
197.13240	8.9
198.10202	2.5
206.10902	7.3
208.02568	1.8
209.09558	2.2
210.10358	14.0
211.11249	6.2
211.14796	7.5
213.12691	19.5
221.13231	7.2
224.11977	7.3
228.11447	4.3
229.12202	9.5
229.15797	6.1
232.49640	1.9
239.14279	69.4
257.15314	28.5
317.17447	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	317.1746
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
55.01876	0.7
55.72086	0.6
59.05009	1.7
60.24562	0.7
64.26239	0.7
67.23721	0.6
67.84690	0.6
69.07048	0.9
79.05514	1.1
81.07034	0.8
83.04952	1.3
83.82001	0.8
91.05468	1.2
93.07030	1.0
95.08595	1.7
105.06991	1.4
107.08595	5.8
109.10149	3.0
115.33434	0.7
119.08575	2.9
121.10133	2.9
123.08057	0.8
131.08548	1.1
133.10101	3.1
135.08052	18.6
139.11163	4.2
143.08563	1.3
145.10100	1.3
157.10057	0.9
159.11674	0.9
161.09602	3.5
169.10104	5.4
171.08189	0.8
171.11641	0.9
173.05957	1.0
173.09558	1.0
175.11311	0.9
179.10687	1.4
180.09387	0.8
183.11670	3.0
185.09665	1.0
185.13162	0.9
187.11034	0.8
189.09203	0.8
193.10152	1.5
195.11719	4.5
197.09872	0.9
197.13327	1.0
211.11275	5.4
213.09135	5.6
213.12672	0.9
215.10707	1.0
220.12431	1.7
229.12244	1.1
231.10165	3.7
235.14830	1.5
239.10703	1.1
241.12131	3.5
253.15877	1.1
253.19566	1.4
257.11688	4.4
271.16904	9.7
271.20541	0.8
274.15698	1.1
281.15359	1.4
299.16464	9.4
299.20120	4.0
317.17487	100.0
317.21127	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	317.1748
Annotation	Bisphenol A bis(2-hydroxyethyl)ether
Peak:m/z	Relative Intensity
55.90907	0.9
67.05505	11.4
71.01348	3.9
74.78513	0.9
79.05468	2.4
81.07037	4.0
83.04974	1.7
89.02392	1.2
91.05484	3.9
93.07024	4.4
95.04961	1.3
96.00478	0.9
105.07001	1.7
107.04949	2.0
107.08581	2.2
113.02343	1.7
117.07018	6.7
119.04951	1.4
119.08576	1.8
120.55759	0.9
121.06478	1.6
128.06190	1.6
128.42754	1.0
131.04901	1.3
135.08032	7.0
137.02380	1.1
143.08580	6.7
145.06451	5.9
147.04407	8.5
151.07497	8.6
155.08545	1.1
157.06491	1.2
157.10129	3.5
159.08046	1.3
161.06024	1.8
161.09665	1.6
171.04387	6.7
171.08049	12.3
171.11574	1.4
173.05952	0.9
175.07539	22.3
177.09094	10.4
183.08095	4.2
183.11824	0.9
187.07436	1.5
189.05322	1.2
189.09142	4.4
193.10083	1.9
195.10156	13.1
195.11749	1.6
197.09781	1.1
201.09111	2.4
203.10658	12.0
207.08112	1.3
209.09555	1.1
211.11197	4.0
213.05560	1.3
213.08975	1.0
213.12640	1.2
214.09929	0.9
219.10109	1.2
221.09564	5.9
221.11723	8.3
223.11159	5.4
225.09154	1.4
227.10612	1.4
228.07840	1.4
229.08575	46.5
229.15863	1.8
233.11714	1.1
234.10489	1.4
237.12761	1.2
249.12740	5.7
253.12178	2.0
255.10196	1.8
255.13788	9.4
257.08057	37.3
260.67868	1.1
267.13754	1.9
271.13251	3.8
273.14902	4.9
281.15405	1.5
299.09134	24.3
299.16418	13.5
299.19592	1.9
317.10172	100.0
317.17447	27.0
317.21030	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	317.1749
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.08192	0.4
57.49233	0.4
57.93087	0.5
59.04990	2.1
61.99372	0.5
67.05512	0.7
69.07055	0.5
71.04981	2.1
72.45301	0.4
92.18520	0.9
105.07014	0.9
107.08617	0.7
109.10133	0.6
119.08588	0.7
131.08545	0.6
140.63614	0.6
143.08559	1.0
157.10107	2.1
159.11641	0.7
161.09671	0.8
167.45421	0.5
169.10060	3.6
171.08005	0.5
171.11664	0.6
173.05882	0.6
173.09601	2.0
183.11751	2.1
185.09618	2.4
187.11208	0.8
188.08232	0.7
189.09087	2.6
193.10100	1.0
195.11754	3.9
197.09698	0.8
199.07381	0.6
199.11230	0.6
211.11244	3.4
213.09070	9.6
215.10716	1.0
220.12485	0.6
229.12286	3.0
231.10132	6.3
234.83124	0.5
239.10710	1.0
239.14403	0.6
241.12221	2.0
253.15887	0.8
256.14609	0.7
257.11795	0.6
271.16922	4.8
274.15701	2.2
281.15378	0.9
299.16425	3.4
299.19870	1.1
317.17490	100.0
317.20984	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	317.1747
Annotation	Bisphenol A bis(2-hydroxyethyl)ether
Peak:m/z	Relative Intensity
55.01881	3.9
57.14132	2.3
58.61197	2.6
67.05508	50.5
67.57909	2.6
69.07054	3.9
79.05486	16.8
81.07058	28.4
83.04976	5.0
83.08636	4.1
91.05479	12.5
93.07036	30.6
95.04964	15.0
95.08604	16.1
99.04521	3.8
99.54178	3.0
105.07030	12.5
107.04932	3.8
107.08585	19.2
109.06508	6.2
109.10130	4.2
117.07008	24.5
119.08572	17.1
121.06505	5.8
121.10131	6.7
123.04420	14.9
123.08025	4.8
128.06177	6.7
129.07002	6.2
131.08604	14.1
131.10066	2.9
133.10133	14.0
135.08055	31.0
135.11725	6.4
137.02332	17.8
137.05989	12.6
137.09616	4.1
139.03888	33.9
141.01773	3.8
143.08556	26.5
145.06467	5.5
145.10104	20.3
147.08025	7.1
147.11667	3.6
149.09599	5.7
151.07552	43.5
155.08553	4.1
157.06491	4.1
157.10115	13.9
159.08018	6.8
159.11674	11.9
161.05959	10.4
161.09653	10.7
163.07431	4.0
165.01810	72.9
169.10133	4.9
171.08055	43.1
171.11719	6.4
173.09618	3.7
173.13258	5.0
175.07544	87.8
175.11145	3.9
177.09065	36.3
179.03391	15.8
179.08591	3.1
183.02922	26.6
183.08014	11.9
183.11676	6.9
185.13240	4.7
187.07526	12.6
187.11122	6.2
188.08243	4.9
189.09138	15.8
191.03348	6.5
193.10127	11.1
195.08315	5.3
195.10159	48.8
195.11742	6.8
197.13359	6.0
199.14864	3.3
201.09090	5.2
203.10591	33.9
211.11194	6.9
211.14836	4.7
213.09132	6.6
219.10034	5.3
221.09579	24.0
221.11716	24.6
223.11203	17.9
225.09171	4.0
227.10654	3.8
229.12317	4.2
234.10367	5.0
237.12802	3.6
239.14198	10.1
239.17897	3.9
240.11346	4.1
247.13275	5.1
249.12822	24.2
253.12244	14.0
255.13823	34.6
257.04449	14.2
258.12289	3.8
267.13968	6.8
271.06073	26.3
271.13309	4.6
273.14798	14.6
281.15457	17.0
281.18964	5.6
299.05588	22.8
299.16440	35.0
299.20032	25.8
317.06613	75.9
317.10077	5.4
317.13803	4.9
317.17450	100.0
317.21140	84.1
323.72290	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	317.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
57.03426	1.6
57.07098	0.3
58.44041	0.3
61.02921	1.8
67.05495	2.2
69.03428	6.1
69.07071	2.1
71.04987	0.9
73.02906	0.4
79.05488	4.9
81.03410	1.6
81.07055	100.0
83.04985	2.3
83.08641	0.6
84.86263	0.3
85.02899	46.3
85.06541	1.9
87.04476	0.5
91.03943	0.5
91.05473	3.0
93.07037	7.3
95.04958	2.4
95.08598	11.4
97.02876	7.4
97.06539	0.9
99.04465	2.0
99.08085	0.6
103.03949	0.9
105.07021	5.9
107.04990	0.4
107.08588	10.3
109.02873	4.8
109.06522	2.9
109.10147	3.9
111.04420	1.8
111.08121	0.6
113.61397	0.4
115.03944	0.9
117.06988	2.7
119.08566	7.4
121.06496	3.5
121.10122	6.1
123.08082	2.5
123.11671	1.4
125.09632	0.6
127.03897	13.3
129.05527	0.7
129.07037	2.5
131.08559	6.6
133.06523	1.6
133.10117	4.9
135.08046	5.3
135.11667	4.1
137.05989	2.0
137.09610	0.6
137.13246	43.7
139.03998	0.4
139.11186	0.5
141.06975	0.8
142.07813	0.5
143.08553	6.3
145.04953	11.6
145.06400	1.3
145.10144	5.6
147.06523	0.7
147.08064	3.8
147.11650	4.2
149.09604	3.1
149.13307	1.7
149.88411	0.4
151.07510	2.8
151.11198	0.9
155.08551	4.6
157.06459	0.8
157.10117	6.0
159.08031	4.7
159.11658	4.5
161.09593	7.2
161.13260	2.7
163.03920	0.4
163.06001	9.5
163.07333	0.5
163.11232	1.6
165.05507	0.9
165.06990	0.6
165.09058	0.6
165.12787	0.8
167.08511	1.4
169.10104	5.0
171.04347	0.5
171.08017	0.8
171.11653	3.7
173.09674	2.8
173.13232	3.6
175.11169	3.4
177.09076	0.5
177.12761	0.8
179.08566	0.5
179.10776	0.4
180.09306	0.5
181.10141	1.6
182.10872	0.7
183.08020	0.5
183.11661	4.3
183.57994	0.4
185.09573	3.6
185.13289	2.5
187.11128	3.1
187.14748	0.7
189.09187	0.5
189.12737	1.8
191.14458	0.5
193.05058	0.5
193.10130	0.8
195.08032	0.5
195.11713	2.3
196.08852	0.8
196.12410	0.8
197.09671	1.6
197.13235	5.2
198.10356	0.4
199.11209	1.7
199.14850	0.9
200.34534	0.4
201.09117	0.7
201.12767	1.6
201.16351	0.7
203.10757	0.7
203.14391	1.8
206.10966	1.6
209.09698	0.4
209.13263	0.7
210.10350	3.4
211.11215	3.4
211.14769	3.6
213.12740	4.8
213.16414	0.9
215.10814	0.8
215.14365	2.2
217.16010	0.4
221.13271	1.6
223.14832	0.9
224.12018	1.5
225.12849	0.8
225.16394	2.4
227.14279	0.8
227.17874	0.6
228.11513	0.5
229.12282	2.3
229.15907	1.8
239.14264	12.0
239.17984	0.6
241.15926	2.2
241.19432	0.6
243.17448	0.9
245.15384	2.5
251.17863	0.4
253.16016	0.6
253.19577	2.0
255.17490	1.5
257.15347	6.5
257.19122	0.8
259.16891	0.5
263.16266	4.5
269.19043	0.8
271.17169	0.7
271.20624	3.0
281.17670	2.4
281.19159	2.9
287.20001	0.7
299.09122	2.2
299.12296	0.5
299.20276	8.5
317.06720	2.8
317.10095	0.9
317.17480	7.9
317.20694	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.13463	1.7
53.52899	2.0
53.71291	1.8
54.54789	1.6
55.05508	2.8
56.51721	1.8
57.07071	2.6
62.34392	1.8
67.05495	4.3
69.03426	2.3
69.07048	8.4
79.05474	2.2
81.07027	10.7
83.04969	2.6
83.08605	3.8
91.05451	4.2
92.27827	1.9
93.07004	12.1
95.04958	4.0
95.08618	15.3
97.06477	9.3
104.60636	2.2
105.07041	16.1
107.08593	15.6
109.06490	4.4
109.10131	14.7
111.08009	2.0
116.76187	1.9
117.80958	1.8
119.08573	20.4
121.06496	3.7
121.10146	14.7
123.08051	7.7
123.11652	12.2
131.08511	10.4
133.10135	14.0
135.08037	9.6
135.11685	19.3
137.09558	2.6
143.08504	9.5
145.06462	2.3
145.10124	10.3
147.08081	4.2
147.11653	11.3
149.09622	3.0
155.08562	4.3
157.10072	11.9
159.08038	4.1
159.11658	11.3
161.09572	9.8
163.11122	3.0
169.10107	8.7
171.11636	4.2
173.09604	3.6
174.96947	2.3
175.11078	7.8
183.11624	9.9
185.09625	2.8
185.13213	3.8
187.11113	4.2
187.14807	4.4
189.12619	2.3
197.13136	7.5
199.14784	2.3
201.12682	3.9
201.16234	2.5
211.11166	2.2
211.14796	4.3
213.16443	2.9
215.14442	2.5
225.12578	2.9
225.16353	3.4
229.12222	4.1
229.15718	2.1
230.61348	2.2
239.14229	3.4
239.17836	4.6
253.19397	8.4
255.17334	4.2
257.18951	3.5
263.17831	3.2
265.10437	2.1
271.20377	4.3
281.19000	8.1
299.19986	34.1
317.06525	9.5
317.17490	13.5
317.21045	100.0
334.44925	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	317.2109
Annotation	15-Hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
53.93386	2.2
55.05508	3.7
59.54243	2.2
60.63226	2.5
64.96449	2.5
67.05517	2.6
69.03443	3.1
69.07066	12.6
72.81656	2.4
81.03413	3.3
81.07039	12.9
83.08601	2.9
91.05479	4.4
93.07033	14.0
95.04942	2.7
95.08601	16.8
97.06544	3.7
105.07008	16.1
107.08588	20.7
109.06502	4.7
109.10130	5.5
117.06940	2.9
119.08564	23.4
121.06485	4.6
121.10133	15.3
123.08105	4.0
131.08488	5.6
133.10097	18.4
135.08035	12.7
143.08566	17.2
145.10132	21.5
147.08090	4.6
147.11668	13.7
149.09637	5.1
155.08586	4.2
157.10127	18.4
159.08112	4.4
159.11653	15.6
161.09601	4.2
163.11134	3.5
167.08600	3.1
169.10081	25.7
170.11049	3.2
171.11670	11.5
173.09625	5.1
173.13255	4.9
175.11124	4.5
179.80217	3.0
181.10112	4.0
183.11708	15.0
185.09592	6.6
185.13225	6.3
187.11162	5.0
187.14807	6.1
189.12735	3.0
189.16354	3.3
191.14417	3.0
195.11699	4.1
197.09467	3.6
197.13290	17.6
199.11122	5.1
199.14981	3.6
201.12894	3.7
201.16364	3.1
203.14297	5.0
207.11775	3.3
210.10355	5.2
211.11206	5.0
211.14798	12.7
213.12747	6.7
217.15910	6.0
227.17892	5.5
228.11690	3.6
229.12161	3.6
231.17433	5.4
239.14255	25.6
245.18988	3.6
253.19476	16.3
255.17448	5.4
257.15240	6.8
263.18048	3.3
271.20609	13.4
273.18317	6.3
281.18961	16.0
299.20007	56.9
317.17468	31.7
317.21100	100.0
329.26175	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	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.07157	0.3
61.03769	0.3
79.05501	0.3
81.07036	1.3
91.05471	0.5
93.07026	0.7
95.08577	0.7
105.07012	0.7
107.08589	0.6
109.10136	1.6
117.06973	0.3
119.08559	1.3
121.02807	0.3
121.06483	0.4
121.10126	1.7
124.02814	0.4
125.50939	0.4
133.10094	2.1
135.08101	0.4
145.10114	0.8
147.07996	2.8
149.09544	0.5
155.08524	0.4
156.36157	0.3
157.10057	0.4
159.08011	1.6
161.09608	2.0
163.07518	5.2
163.11148	0.6
171.08038	2.7
171.11646	0.5
173.09648	1.4
173.13232	1.4
175.07515	0.4
175.11211	0.5
180.89461	0.3
187.11136	1.2
189.09105	0.5
189.12740	0.4
191.14236	0.4
197.09592	0.6
197.13232	0.5
199.11221	0.5
201.12759	0.7
203.10617	2.1
205.12259	0.5
213.12732	9.9
215.10762	0.4
215.14325	0.4
227.14194	0.4
229.12321	0.4
239.14340	1.3
257.19061	0.6
271.20502	0.5
275.16370	11.4
281.19031	0.6
284.87943	0.4
299.20071	2.0
317.21082	100.0
335.43329	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	317.2112
Annotation	Microclavatin
Peak:m/z	Relative Intensity
55.05515	2.1
65.72946	1.4
65.98842	1.7
67.05492	1.7
67.06046	1.4
69.03364	1.4
69.07059	3.0
79.05475	3.1
80.78171	1.4
81.07037	7.2
85.16225	1.4
89.32066	1.4
91.05480	3.1
93.07017	7.9
95.05003	1.4
95.08609	10.8
97.06526	3.5
98.57997	1.4
105.07012	7.0
107.08578	13.4
109.06485	5.4
109.10120	8.5
111.08073	3.3
117.06991	1.7
119.08569	15.3
121.02854	1.6
121.06438	2.5
121.10112	9.5
123.04372	7.0
123.08044	6.2
123.11684	1.5
125.09584	1.7
131.08498	6.3
133.10133	13.5
135.04376	1.5
135.08028	6.1
135.11688	6.1
137.05960	2.3
137.09598	11.8
142.07759	1.6
143.08531	7.7
145.10129	14.6
147.04295	1.9
147.08054	2.7
147.11720	2.9
149.09567	7.1
151.03827	1.8
151.11229	4.6
151.19351	1.7
155.08533	1.9
157.10146	10.9
159.08076	3.0
159.11659	10.4
161.09544	5.7
163.11105	5.5
165.05452	8.7
169.10085	12.3
171.11673	8.4
173.09581	5.3
173.13205	2.9
175.11139	3.4
183.11653	7.5
185.09616	2.8
185.13190	8.6
187.11188	5.8
187.14888	2.3
189.12746	2.1
195.11603	2.7
197.13243	8.8
199.14752	7.1
201.12767	2.3
209.13167	2.4
211.14864	6.1
213.12785	1.6
213.16414	2.3
215.14284	2.7
223.14894	2.7
225.12686	1.6
225.16324	1.7
227.14244	7.7
227.17824	1.6
237.16113	1.9
239.17946	5.6
241.15831	5.7
253.19402	5.5
257.19025	3.3
263.17892	3.4
269.18796	1.6
271.20575	8.2
273.18506	1.6
281.19055	13.6
299.20044	41.5
302.04147	3.0
317.06525	14.8
317.10443	6.3
317.21060	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	318.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32678	0.7
77.03328	0.7
81.03391	1.3
99.04441	1.0
101.00884	5.6
109.02879	1.8
119.01905	8.1
133.03488	1.7
139.02364	1.0
143.01883	4.9
143.21594	0.7
145.03485	3.3
149.35051	0.7
157.03468	14.4
161.02939	9.3
167.01848	1.1
169.03462	1.5
171.05052	1.1
173.02979	0.9
175.04529	9.5
181.03374	0.9
183.05006	3.8
184.02200	3.3
185.02951	9.4
187.04488	2.8
198.06143	0.9
199.04504	7.5
201.06097	3.6
201.76100	1.0
203.04037	6.6
217.05565	4.9
227.03841	0.8
235.06627	6.1
253.07639	7.5
259.06656	1.6
277.07672	100.0
295.08728	45.7
318.10455	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45080	1.9
59.46570	2.3
61.02940	3.4
62.71585	2.1
63.95451	1.8
67.05508	4.0
68.29017	2.1
69.03442	9.0
69.44262	2.1
70.06597	30.7
71.04959	2.1
71.58206	2.1
81.03436	2.6
85.02905	81.4
85.03396	3.0
91.03970	3.5
95.08603	2.3
97.02879	16.5
99.04491	3.7
109.02914	2.5
119.44894	2.6
121.06494	61.0
123.04472	3.2
127.03899	20.9
134.10469	2.3
138.09135	100.0
138.10199	3.4
139.03918	8.8
140.04199	2.8
145.04967	28.2
156.10205	65.4
163.06152	4.7
165.05530	8.4
166.05836	5.0
175.08751	3.9
187.07574	12.8
205.08586	5.0
206.66530	2.4
221.09294	3.5
229.08669	2.5
247.09723	3.2
265.10657	3.0
318.06955	6.3
318.10309	6.8
318.14355	3.0
318.21475	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.7
66.84737	2.1
69.03414	9.4
81.03420	4.6
85.02903	100.0
91.03941	5.4
91.57781	2.4
97.02898	24.9
97.76727	2.4
99.04443	3.8
108.17302	2.4
109.02889	9.9
121.06505	63.5
127.03922	23.1
139.03908	40.0
140.04221	42.2
145.04959	29.0
145.06528	2.8
151.03952	3.2
153.80473	2.8
155.60448	2.8
156.10191	4.1
163.05991	5.5
167.52354	2.7
168.95471	2.5
178.53737	2.7
179.03401	12.1
180.03709	15.0
180.08665	26.3
187.07568	10.8
205.08597	11.2
229.08588	3.6
247.09558	4.3
265.10623	2.9
272.06241	3.1
300.05756	6.0
314.56058	3.3
318.06848	35.9
318.15417	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82883	0.4
61.99229	0.5
69.03411	3.0
69.07034	0.5
79.02773	0.4
85.02913	6.1
88.68557	0.6
89.59769	0.6
95.08597	0.8
96.04473	1.1
96.08135	0.8
97.02863	2.0
97.06485	0.7
99.04454	0.6
109.02907	0.6
110.06038	3.1
110.09660	2.4
111.08090	0.9
121.06489	0.9
121.37264	0.4
123.04401	0.7
126.09158	5.8
127.03912	1.1
138.09145	15.3
139.07530	0.9
152.10738	0.5
156.10196	100.0
165.05507	1.9
166.05827	2.4
168.10149	0.9
180.10149	0.5
198.11221	0.8
222.11201	0.5
300.20279	0.8
318.10492	1.1
318.15469	8.2
318.21289	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	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84140	0.5
57.07078	4.7
58.06601	0.8
61.20451	0.5
70.06268	0.6
70.06590	9.8
71.08604	2.6
72.81339	0.5
85.10174	0.6
88.07626	24.9
102.09179	16.3
106.51692	0.5
132.10179	0.7
146.11732	1.3
167.21065	0.5
212.23726	1.2
256.26318	70.6
300.28766	4.2
318.29993	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	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40812	0.6
57.07078	5.1
70.06274	0.6
70.06598	10.2
71.08618	2.6
74.66222	0.6
85.10140	0.8
88.07628	24.7
102.09186	16.0
107.61631	0.7
204.44160	0.7
212.23727	5.6
256.26331	70.9
300.28922	4.5
318.30008	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	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07078	4.2
59.64503	0.5
70.06593	7.8
71.08611	2.9
71.87339	0.6
79.03111	0.4
85.10165	0.9
88.07630	24.1
102.09180	11.8
103.09255	0.5
146.11760	1.3
150.11241	0.6
256.26328	68.2
300.28961	4.3
318.30005	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	318.3001
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
54.25818	0.8
54.38648	0.6
57.07081	5.7
57.45198	0.6
58.06604	0.8
58.77152	0.7
70.06596	9.8
71.08610	3.1
72.08160	0.7
83.33628	0.8
88.07632	25.2
90.33567	0.8
91.30789	0.8
102.09190	17.0
103.31346	0.7
146.11775	0.9
212.23665	1.1
255.60481	0.9
256.26328	70.3
300.28989	4.2
318.30005	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	318.3003
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07082	5.0
58.43846	0.8
63.08099	0.6
68.34898	0.5
70.06590	8.0
71.08610	2.7
72.08146	0.9
88.07633	23.4
102.09194	15.3
137.19769	0.7
146.11768	0.8
196.20815	0.7
212.23766	0.8
256.26340	67.7
300.28943	4.2
318.30020	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	318.3002
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.77714	0.7
51.67697	0.7
55.05513	1.0
55.32374	0.7
56.05043	7.8
57.07080	6.7
58.06590	3.7
60.04531	57.4
61.02931	0.7
67.05514	1.5
69.07066	3.4
71.08614	4.6
72.04484	0.8
74.06096	7.0
74.06425	0.9
79.05521	1.1
81.07050	3.3
82.62595	0.7
83.08599	1.8
88.07623	7.7
93.07047	1.4
95.08582	1.1
97.10157	1.3
118.08640	4.0
118.44494	0.9
119.08608	0.8
122.08100	1.9
128.53227	0.8
142.94852	0.9
264.26843	1.1
270.27911	28.9
281.86444	0.9
282.27957	9.5
300.28928	9.2
318.30005	100.0
343.39651	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	319.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55908	2.2
52.55888	2.0
87.00256	2.9
98.59918	3.2
98.97582	57.9
103.71835	3.4
113.33452	2.7
116.98637	12.4
119.95305	2.9
161.01204	6.6
172.94278	21.5
179.02347	16.0
190.95474	6.3
196.94334	37.3
197.03363	3.2
202.07393	3.6
210.95883	31.8
214.95399	98.6
216.97084	5.0
221.04477	11.4
222.96011	3.4
228.96962	67.6
232.96469	41.9
240.96820	22.0
246.98015	58.4
250.97501	4.2
258.97910	94.3
270.98175	4.1
276.98987	41.2
278.07800	3.8
283.71481	3.0
295.95978	5.9
319.00571	100.0
337.01230	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	319.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56984	0.7
61.30264	1.0
70.97980	0.9
74.09707	1.5
78.30054	0.9
87.75162	0.8
87.96403	0.9
98.97588	17.6
98.98684	1.3
116.98631	4.5
129.44630	1.0
134.99631	1.0
136.42740	1.0
146.93523	1.2
159.00752	2.0
161.01189	5.0
172.94299	3.4
179.02263	11.6
190.95355	1.3
191.02271	1.2
196.94379	5.9
197.03355	3.9
202.07428	6.3
213.00107	1.0
214.95363	10.6
220.08551	2.3
221.02515	0.9
221.04501	10.0
224.50433	1.2
228.96997	8.6
232.96385	8.1
239.04361	1.0
240.97043	1.8
246.98070	6.5
258.41763	1.1
258.98370	13.7
276.99088	6.9
281.41705	1.1
301.40591	1.0
311.15540	1.1
319.00980	100.0
319.15512	5.5
337.01547	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	319.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73570	0.2
53.36190	0.3
58.01655	0.2
60.35237	0.2
63.01208	0.2
67.22571	0.3
68.99773	0.4
69.03339	0.2
69.07030	0.4
71.04938	0.3
81.07053	0.3
82.60207	0.3
93.07022	0.4
103.99014	0.3
107.08550	0.3
109.02880	0.5
109.10134	0.7
111.00815	2.7
111.08069	0.3
121.10122	0.6
127.03863	0.6
133.10077	0.4
137.02313	2.4
151.03906	0.3
153.01822	12.7
157.10074	0.4
165.01836	6.1
166.02609	0.7
171.11639	0.4
179.03368	2.1
183.02861	2.0
193.01366	0.4
195.02913	1.1
203.03345	0.5
217.04950	3.9
221.04530	0.4
245.04430	7.2
255.02905	0.4
255.21124	0.4
263.05493	1.7
273.01108	0.4
273.03915	9.5
283.20508	0.4
290.04135	2.6
291.04877	0.5
301.03442	3.0
301.06335	0.3
301.21320	1.0
319.04465	100.0
319.22488	2.6
339.63647	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	319.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37125	0.3
60.49270	0.3
64.23254	0.3
68.99794	0.6
69.29214	0.4
81.07043	0.4
95.04902	0.5
95.08576	0.5
105.07013	0.4
109.02856	0.6
109.39969	0.4
111.00796	3.2
116.01978	0.4
125.02290	0.4
127.03925	0.8
137.02315	2.0
147.11710	0.5
149.02272	0.4
153.01820	14.8
153.03107	0.5
153.05426	0.5
163.03888	0.5
165.01813	7.0
166.02673	0.6
179.03363	2.3
183.02881	1.7
189.05531	0.5
193.04626	0.4
195.02959	1.7
207.02869	0.9
216.10535	0.8
217.04980	3.6
245.04445	8.2
255.02937	0.7
259.11270	0.4
263.05463	0.9
273.03909	10.8
290.04199	2.4
291.04959	0.8
301.03320	2.5
319.04465	100.0
319.22726	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	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
63.64299	0.3
68.99791	0.5
69.43070	0.3
75.11278	0.4
85.71798	0.4
104.30357	0.4
109.02836	0.4
111.00778	3.8
125.02310	0.6
137.02315	2.9
138.63315	0.3
153.01823	13.5
153.05396	0.7
165.01851	7.4
179.03374	2.0
183.02911	1.8
193.01332	0.5
195.02913	0.9
203.03314	0.4
217.04909	3.9
230.55864	0.4
235.02254	0.8
245.04413	8.0
255.02901	0.5
263.05481	2.3
273.03934	11.6
284.54126	0.4
290.04233	3.0
301.03421	2.3
319.04453	100.0
342.16995	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	319.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04573	0.7
59.05003	1.0
69.07044	0.8
70.95862	1.2
72.08144	4.5
72.93779	1.8
79.05530	0.9
79.58994	0.8
85.02871	1.2
90.94801	1.5
92.18440	1.0
97.02887	1.2
102.94788	0.9
104.96336	0.8
109.02969	0.9
109.10154	1.6
116.96370	5.8
119.75809	0.7
121.10137	1.2
128.96352	0.9
130.97961	0.8
132.95830	36.6
134.97411	1.0
139.03908	3.0
144.95853	8.0
147.11740	0.8
150.96866	4.6
151.03883	4.2
156.99501	1.1
158.97383	14.9
162.96889	3.1
165.12729	0.9
168.95808	3.2
174.96873	100.0
176.98427	1.2
186.96881	14.9
188.98492	0.8
192.97952	1.3
198.96907	1.2
199.00536	14.5
201.02296	0.8
211.00491	9.3
216.97957	10.7
229.01598	1.1
234.98967	53.6
241.56969	0.8
253.00056	3.0
255.21111	1.3
259.02637	2.8
273.21964	1.4
301.03665	10.3
301.06851	1.2
301.21628	0.9
319.04752	29.0
319.08066	5.6
319.13474	5.5
319.22537	7.7
328.94507	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	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47286	4.9
54.96888	4.4
56.96560	5.7
63.41039	5.1
64.30727	4.2
66.84833	5.7
67.58110	4.3
72.40457	5.0
79.35166	4.5
80.06493	5.1
85.02874	5.7
98.97575	10.6
115.27885	5.1
115.32483	5.5
121.10121	5.8
125.02322	7.5
139.03873	10.9
142.97903	5.4
146.06042	11.2
151.03920	20.9
156.06511	5.6
157.04948	11.1
175.02773	12.3
199.02823	8.7
217.03885	26.1
255.21118	7.0
273.07434	5.6
273.22137	7.6
301.21600	7.7
319.07562	100.0
319.12823	10.5
319.22571	34.9
329.20462	5.3
337.08075	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	319.1178
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
54.72813	0.4
56.40956	0.4
62.75719	0.4
71.54960	0.4
81.06267	0.4
81.07037	0.6
91.05488	0.7
93.07013	0.4
95.08598	0.6
113.31039	0.4
119.04955	2.1
119.08611	0.5
121.02868	0.5
121.06597	0.5
122.03604	0.5
125.05982	1.9
133.10164	0.5
137.05981	47.8
141.05455	1.9
143.04945	0.8
147.04410	31.1
151.03958	0.5
153.05470	100.0
161.06003	1.1
165.05455	1.7
167.07037	0.7
175.07507	2.1
177.05569	0.7
179.07010	7.6
183.06551	0.9
193.08704	0.7
195.06537	1.7
221.08133	0.7
243.17384	0.5
276.05130	0.6
283.20493	0.8
301.21613	1.8
304.04739	0.8
319.07227	6.5
319.11813	16.8
319.22595	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	319.1175
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
65.03945	1.0
91.05454	0.9
93.03413	0.7
94.04172	0.5
95.08595	0.9
107.39536	0.6
107.76755	0.5
109.58002	0.5
119.04933	17.6
119.08556	0.7
122.03674	0.6
124.06552	0.5
125.05981	3.1
133.10143	0.7
137.05972	72.7
141.05533	0.6
143.04926	2.5
147.04399	22.9
151.03880	0.6
153.05457	100.0
154.08611	2.5
155.08934	2.4
161.05957	2.3
167.03444	1.1
167.07063	0.9
175.07521	3.1
179.07019	17.2
179.08517	0.8
193.08604	2.3
195.06726	0.7
203.06970	0.7
221.08105	1.2
301.10721	1.0
301.18298	0.9
301.21719	0.9
319.11734	19.6
319.15393	1.0
319.19016	2.5
319.22629	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	319.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.7
60.20369	0.3
64.33450	0.5
67.41229	0.4
69.03401	0.9
71.05000	0.9
73.02872	0.4
81.03403	0.9
81.07046	0.6
83.04962	1.1
85.02885	0.8
95.08581	1.0
99.04455	0.5
107.08620	0.6
109.02877	0.9
109.10155	2.3
111.04369	0.6
116.04958	1.8
121.10131	2.8
125.09593	0.5
127.03890	0.5
135.11661	0.7
137.05952	1.0
138.06711	2.1
139.03860	3.2
139.07584	0.4
139.11098	0.7
144.04442	2.8
149.13324	0.5
151.03928	2.0
157.08386	3.3
163.03979	0.6
169.03160	0.9
172.03964	5.6
181.03265	0.5
182.09409	1.9
190.04947	0.9
212.04907	0.5
234.99037	4.0
255.21043	2.1
273.22092	1.8
301.07794	0.5
319.09323	3.4
319.13608	100.0
319.22253	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	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28284	0.7
55.39211	0.8
56.05034	1.3
58.80511	0.7
60.05629	1.3
97.17016	0.9
107.70699	0.8
111.05582	6.3
112.08749	0.7
113.07121	1.7
132.04462	5.9
134.06004	1.3
140.08214	1.4
145.76831	1.0
150.05437	1.1
151.06117	1.9
167.90186	1.0
187.08633	4.4
216.11430	1.1
230.09143	1.9
231.07616	18.7
233.09286	0.9
233.14020	8.3
257.10272	1.4
259.11908	36.3
277.12955	87.7
284.11380	14.6
289.65872	0.9
302.12482	42.6
319.15128	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	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.3
59.04997	0.8
60.05640	0.8
69.07055	0.6
79.05479	0.7
81.07059	0.9
83.06136	1.0
83.40182	0.7
91.05466	0.9
93.07031	1.7
95.04911	0.7
95.08592	3.7
105.07036	1.5
107.08582	3.5
109.06545	0.8
109.10114	3.3
111.05539	5.2
111.57256	0.7
113.07126	2.8
117.08643	0.7
119.08547	1.6
121.10155	3.9
123.11703	1.0
127.07423	0.7
131.08577	1.2
132.04469	8.1
133.10135	1.4
134.05968	1.5
135.11678	1.4
140.08168	2.8
145.10063	1.1
147.11690	0.8
149.09628	0.7
149.13248	0.8
150.05516	1.8
151.06126	0.9
157.10056	0.8
159.11674	1.1
161.13182	1.2
163.11177	0.9
165.12683	0.8
173.13281	0.8
176.06999	0.9
187.08669	3.9
202.09778	1.5
203.66991	0.7
230.09244	3.4
231.07646	19.5
233.13927	9.6
242.09393	1.1
242.84219	0.7
255.21083	2.8
257.10254	0.9
259.11871	35.2
260.10330	1.2
273.22107	1.8
277.12933	94.3
283.20505	1.0
284.11386	13.4
284.66449	0.9
296.05722	0.8
301.14230	1.4
301.21613	4.2
302.12439	48.2
313.59457	0.7
319.15137	100.0
319.18582	4.1
319.22507	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	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	1.4
66.92049	0.9
70.07434	0.9
85.96697	1.0
102.06570	1.2
111.05562	5.0
113.07095	1.7
124.07601	5.3
132.04451	7.2
134.05960	1.2
139.03911	1.5
150.05568	3.7
151.06146	1.9
156.10258	1.2
187.08638	5.8
202.09755	1.8
230.09210	2.5
231.07623	19.2
233.09143	1.4
233.13922	10.3
242.09186	2.2
257.10309	1.2
259.11880	36.8
260.10321	1.3
277.12946	98.4
283.16489	1.9
284.11389	13.3
301.17380	1.1
302.12439	49.9
319.15134	100.0
319.22162	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	319.1539
Annotation	Zearalenone
Peak:m/z	Relative Intensity
54.36677	1.6
54.71301	1.4
55.05503	2.0
55.37838	1.3
59.04983	1.6
67.05493	3.8
69.07059	3.0
71.05001	1.8
79.05490	4.0
81.07059	11.2
85.06540	2.1
91.05459	1.7
91.61599	1.5
93.07037	7.5
95.08588	10.9
97.06546	2.5
105.07012	7.6
107.08575	13.2
109.10157	17.6
111.08084	2.5
116.97276	1.8
119.08578	12.7
121.06501	2.0
121.10159	14.0
123.08073	10.1
123.11691	1.5
128.06133	2.2
129.07031	2.0
131.08556	7.4
131.09454	1.6
133.10097	12.1
135.08084	3.1
135.11620	3.4
141.05478	1.7
143.08580	2.8
145.10123	11.8
147.11687	7.5
149.09615	2.6
151.11232	1.8
155.08572	6.8
156.09352	3.3
157.10072	10.8
159.11688	6.4
161.09587	6.3
161.13220	2.6
163.11049	2.1
164.14076	1.9
169.10074	17.2
171.08052	8.0
171.11678	10.1
173.09595	19.6
173.13222	3.2
175.11172	3.8
179.55676	1.7
181.10144	3.6
183.08057	14.8
183.11613	3.5
185.09608	8.2
185.13245	12.8
187.11279	3.1
187.14859	2.0
195.11848	2.8
196.09024	1.8
196.12502	6.9
197.09604	15.8
197.13329	3.6
199.11098	2.6
199.14818	7.7
201.09109	2.5
203.06969	2.2
206.10965	2.2
209.09651	14.4
209.13252	7.5
211.14798	14.6
213.12767	7.7
213.16324	2.5
215.07016	1.9
217.04904	6.3
217.15945	3.5
221.13348	5.5
223.14850	1.9
224.11987	20.2
225.12776	2.5
227.14268	11.1
239.14282	33.5
241.19658	1.7
245.08049	9.0
248.14569	1.9
249.07652	2.3
255.13922	2.1
255.17535	2.0
255.21075	3.5
257.15298	14.4
258.12378	2.3
259.09653	17.9
265.15878	2.3
265.19321	3.0
271.20621	1.9
273.14902	4.0
273.18225	1.7
283.13260	2.6
283.16971	8.4
283.20587	11.4
301.14349	71.5
301.17963	12.5
301.21365	29.6
304.16733	1.9
319.15378	100.0
319.19058	41.2
319.22672	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95126	0.8
55.05501	1.2
67.05489	1.1
69.03400	1.2
69.07059	5.9
74.58524	1.0
79.05487	1.8
81.07043	5.5
85.02891	0.9
85.06527	0.9
91.05491	1.7
93.07033	6.7
95.08598	5.0
97.06531	1.3
98.06009	1.1
105.07024	4.6
107.04946	1.1
107.08589	3.9
107.95052	1.0
109.06469	1.2
109.10165	4.8
110.06082	1.4
111.08008	1.2
117.07063	1.4
119.08573	4.4
121.06528	1.3
121.10123	5.9
122.06015	4.9
123.08068	4.0
123.11707	1.2
124.07578	15.0
129.09128	1.6
131.08533	2.3
133.10156	4.8
135.08035	1.6
138.09137	42.0
139.11163	1.4
140.10712	8.0
143.08553	1.4
145.10126	4.1
147.11685	2.3
150.05493	34.0
151.11212	1.5
152.07057	48.8
157.10146	6.2
159.11691	4.3
161.13208	2.4
169.09999	1.3
171.11684	1.8
173.09543	1.2
173.13264	2.2
174.09148	1.9
183.11761	2.0
185.13297	1.5
187.11119	1.5
187.14799	1.0
188.10658	1.0
197.13297	4.5
199.14822	2.2
203.14322	1.3
211.14844	1.1
213.16466	1.5
215.15569	1.5
216.13887	7.0
225.16463	1.1
227.15379	4.8
231.17322	1.3
243.14912	95.2
244.13295	32.4
255.14835	1.1
255.20987	2.0
256.13324	1.7
257.16617	1.2
265.19611	1.3
271.14377	23.3
272.12802	1.1
273.71735	1.1
283.14255	1.4
283.20526	5.4
289.15442	100.0
301.12042	1.7
301.15463	1.2
301.21609	7.9
319.04602	8.1
319.12497	1.3
319.16098	1.7
319.19302	2.1
319.22620	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1749
Annotation	Kankanoside D
Peak:m/z	Relative Intensity
51.33331	2.3
54.01115	2.3
54.97469	2.3
55.05515	3.8
56.30952	2.7
57.03442	43.9
57.07043	2.7
59.04988	3.0
61.02916	10.9
67.05505	3.9
69.03419	19.9
69.07066	38.3
70.32142	2.2
71.04969	3.8
73.06538	3.1
73.14867	2.4
73.77426	2.7
79.05483	2.9
81.03419	5.0
81.07047	17.1
85.02901	58.3
85.06544	69.9
87.53724	3.2
91.03977	2.6
91.05477	3.0
93.07027	12.0
95.08611	17.5
97.02881	20.8
97.06516	33.2
97.10162	23.6
105.07056	4.9
107.08572	5.7
109.02878	15.8
109.06499	5.9
109.10139	3.6
111.11704	17.9
112.44016	2.6
121.10136	31.4
122.06867	3.4
122.79366	2.5
123.04398	5.4
123.11663	5.5
127.03928	21.5
133.10170	3.8
135.11700	3.9
137.05986	10.6
139.03889	14.3
139.11176	100.0
141.12753	17.4
145.04901	10.4
145.10213	3.4
147.11656	4.7
149.06020	3.8
149.09630	2.8
151.03908	23.3
153.01826	17.1
153.05463	12.6
153.06892	2.4
155.03403	14.9
157.10190	3.4
157.12216	47.1
159.11787	2.8
163.07521	16.4
165.05428	11.9
172.71771	2.9
177.05470	6.2
179.03352	2.9
181.12308	4.1
273.07483	2.8
277.12863	3.8
283.15231	2.8
290.97064	2.9
301.11713	5.8
312.25272	3.2
319.04700	5.8
319.08084	24.2
319.13150	24.6
319.17438	22.8
319.22546	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	319.1904
Annotation	Salvidorol
Peak:m/z	Relative Intensity
53.65057	0.4
59.05009	0.5
63.87848	0.3
64.08663	0.4
64.17045	0.4
64.24706	0.4
71.04984	0.8
95.39030	0.4
100.21312	0.4
145.06485	0.5
157.10153	0.6
169.10196	0.5
171.11688	0.6
183.11720	0.5
187.11176	1.0
195.11702	2.1
197.13246	1.7
199.11063	0.5
213.12773	2.8
215.10704	4.4
217.12221	0.8
231.13834	2.7
233.11690	10.6
237.16496	1.5
243.13857	0.6
255.17444	1.8
259.13354	0.8
273.18451	5.0
277.07193	0.5
283.16858	1.8
301.17963	5.4
319.19028	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	319.1904
Annotation	Salvidorol
Peak:m/z	Relative Intensity
81.07042	0.7
84.61563	0.3
93.07022	0.6
95.08603	0.4
99.17568	0.3
105.06999	0.7
107.08575	0.6
109.10129	0.6
119.08539	0.5
133.06497	0.3
133.10155	0.7
135.08017	0.5
135.11700	0.4
141.05453	0.4
145.06416	1.5
145.10123	0.6
153.05476	0.5
157.06525	0.4
157.10115	0.7
159.11681	0.4
171.11658	0.8
173.13342	0.3
185.09615	1.4
187.11162	0.5
197.09647	0.6
199.07596	0.4
199.11180	1.6
213.12756	0.6
215.10649	0.7
217.12239	2.2
241.12527	0.4
243.13818	2.3
243.17444	0.5
255.17584	0.4
258.16110	1.3
283.01251	0.4
283.16983	1.5
283.20224	0.5
301.17972	25.6
301.21503	1.4
319.19028	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	319.2267
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
51.84184	1.3
55.01869	1.3
55.05515	2.7
57.07056	1.7
67.05480	6.7
69.03406	2.4
69.07060	6.1
79.05469	3.4
81.07043	12.9
83.04981	2.0
83.08595	3.1
85.06512	2.1
91.05445	6.5
93.07043	14.3
95.04939	7.2
95.08591	14.4
97.06501	3.6
99.08083	2.0
100.49481	1.6
105.07015	13.1
107.08591	20.3
109.06516	3.1
109.10141	20.1
111.08115	1.8
117.07014	2.0
119.08566	20.9
121.06516	3.7
121.10117	13.1
123.08040	8.7
123.11675	6.0
125.09628	2.8
129.06998	1.6
131.08537	4.0
133.10112	14.6
133.36438	1.7
135.08014	7.3
135.11658	6.2
137.05930	2.0
137.09575	3.2
137.13210	3.6
138.05537	1.6
143.08524	2.6
145.10132	13.2
147.07968	2.5
147.11667	10.0
149.09602	3.2
151.11147	8.7
155.08565	2.8
157.10117	10.3
159.11664	11.2
161.09579	3.7
161.13234	6.6
163.11162	6.8
169.10170	2.1
171.11668	9.4
173.09554	7.1
173.13199	3.4
173.61922	1.7
175.11139	3.8
177.12720	9.0
183.11580	2.1
185.09647	1.8
185.13225	3.5
187.14891	2.0
189.12685	2.3
197.13261	3.1
199.14786	3.8
203.14246	2.1
209.13184	2.2
213.16338	2.2
217.16016	1.7
225.16365	3.0
227.17929	2.9
229.15973	3.0
243.17520	2.1
245.18976	3.2
253.19333	2.5
255.21037	2.9
265.19437	2.8
271.20413	3.7
273.22095	2.3
283.20563	13.5
289.21448	7.1
301.18225	2.7
301.21561	21.3
319.04471	9.9
319.12262	1.8
319.19128	7.1
319.22620	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	319.2266
Annotation	Agallochin H
Peak:m/z	Relative Intensity
55.05504	1.4
66.19199	0.7
67.05491	3.3
69.07053	1.8
72.28701	0.7
79.05470	2.0
81.07069	10.2
83.04953	1.0
83.08636	2.7
85.06550	0.9
91.05454	6.1
91.27407	0.8
92.18488	1.9
93.07047	18.0
94.84908	0.8
95.04959	1.2
95.08595	9.7
97.67870	0.8
105.07024	8.5
107.04935	1.1
107.08598	23.9
109.06460	1.4
109.10165	11.8
111.08061	1.2
113.91361	0.8
117.06982	1.0
119.08578	10.8
120.58770	0.9
121.06458	1.5
121.10141	14.1
123.08051	4.0
123.11703	3.6
130.77084	0.8
131.08501	7.4
133.10118	9.4
135.08012	3.6
135.11681	15.4
137.09607	4.7
137.13254	1.9
137.66278	0.9
143.08551	1.8
145.10117	5.0
147.08035	5.7
147.11697	9.1
149.09506	2.9
149.13261	1.8
157.10095	4.7
159.11725	4.1
161.09619	1.5
161.13274	1.3
163.11186	1.2
165.09096	4.4
165.12767	6.2
169.10007	1.4
171.11659	2.0
173.13161	2.9
175.11188	3.1
179.10661	0.9
181.10098	1.4
183.11615	1.6
185.13263	3.2
187.14734	1.2
191.14192	0.9
195.11649	1.6
197.13324	4.1
199.14876	1.5
209.13283	1.0
211.14777	2.9
223.14662	1.0
227.14278	1.0
248.99979	1.0
253.19402	1.1
255.02087	0.9
255.21001	0.9
265.19452	1.6
283.20569	1.3
290.10513	0.9
301.21475	7.1
319.22662	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	319.2267
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
50.43150	1.9
50.51046	2.0
51.77670	2.3
53.69243	2.1
54.30837	2.2
55.05524	3.2
59.38661	2.2
67.05504	5.3
69.07070	5.9
79.05495	5.6
79.20778	2.2
79.30400	2.2
81.07049	17.9
85.06538	3.1
91.05473	17.5
93.07034	32.2
95.08587	23.6
97.06544	4.2
97.10156	5.5
105.07061	25.6
107.08595	31.7
109.06510	3.2
109.10122	21.5
111.08073	3.8
114.01376	2.2
117.06958	6.3
119.08570	28.1
121.06473	4.3
121.10110	25.2
123.08073	3.5
123.11733	18.5
129.06990	5.2
131.08557	22.5
133.06451	5.8
133.10132	17.3
135.08093	5.3
135.11679	18.2
137.09566	4.6
143.08582	17.7
145.10121	17.2
147.08034	29.6
147.11678	14.1
149.09579	6.2
149.13235	3.6
151.11226	3.9
155.08577	3.1
157.10139	22.2
159.11688	14.3
161.09618	22.3
161.13261	5.3
163.11134	6.4
169.10133	13.6
171.11668	17.4
173.13271	16.2
175.11172	12.9
175.14818	3.2
177.12743	4.3
183.11682	12.9
185.13257	27.9
187.11214	3.7
187.14819	3.8
195.11684	9.8
197.13292	5.4
199.14844	11.8
209.13232	3.8
211.14944	2.9
213.12688	19.5
213.16426	12.4
223.14886	3.8
227.17969	4.5
239.17944	2.9
241.19405	4.4
253.19553	16.9
255.21010	9.5
265.19501	4.4
271.20508	33.2
275.84610	2.8
283.20609	30.5
289.21606	12.4
301.21637	99.7
319.18918	6.0
319.22604	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	319.2269
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
54.84803	3.6
55.05512	5.2
57.03428	17.1
57.73367	3.5
67.05498	26.1
67.34198	3.3
69.07065	4.8
69.36985	4.5
71.64488	4.1
71.75152	3.5
73.37875	3.6
76.60242	4.5
79.05482	17.6
81.07048	23.4
91.05475	20.1
93.07031	20.0
93.10198	4.4
94.40046	4.2
95.08595	34.1
99.08070	9.5
105.07030	23.7
107.08575	22.6
109.10168	8.0
113.09628	5.7
116.62541	3.6
117.06997	7.6
119.08541	19.9
121.10155	18.4
129.06969	4.8
131.08528	9.6
133.10133	35.4
135.08070	4.3
135.11699	7.5
139.80013	4.3
143.08548	6.4
145.10133	33.4
147.11688	24.0
149.09610	5.2
155.08458	4.8
157.10139	18.9
159.11678	18.4
161.09618	7.5
161.13260	4.5
163.11093	5.3
169.10103	17.1
171.11720	20.9
173.13258	7.5
175.11186	5.6
181.10072	7.8
183.11646	7.0
185.13242	22.0
187.11241	4.7
187.14774	6.6
189.12762	8.7
192.10742	4.5
195.11751	5.9
199.14790	6.9
201.12662	4.5
201.16364	8.1
205.12256	4.1
207.13638	7.0
211.14841	8.8
213.12831	6.0
217.15881	4.5
227.18053	5.6
229.15984	6.0
247.16986	34.1
259.20520	5.8
265.19388	8.3
273.22092	9.5
283.20636	34.5
301.18289	7.5
301.21597	100.0
319.04495	9.4
319.22623	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
51.41034	2.1
51.47775	2.0
54.26038	2.0
55.01860	11.1
55.05508	15.7
55.36239	1.9
60.04531	24.7
61.70869	2.2
67.05511	26.9
69.07060	15.5
71.13777	2.3
79.05497	33.5
81.07060	71.9
82.31474	2.4
82.86311	2.6
83.04977	4.6
83.08611	4.7
91.05493	30.2
92.17789	4.7
93.07048	31.0
95.04938	8.6
95.08601	32.6
97.06520	15.3
105.07037	26.9
106.26523	2.3
107.04942	4.2
107.08604	24.7
109.06528	15.3
109.10168	14.9
111.08083	5.1
117.06999	10.9
119.08598	28.3
121.10167	20.0
123.08052	13.0
125.09624	14.8
129.06993	10.6
131.08557	19.2
133.10118	21.1
135.08066	3.8
135.11649	4.9
137.09637	13.1
143.08553	5.2
145.10127	17.8
147.08012	3.2
147.11714	26.4
149.09596	5.4
149.13306	2.7
157.10100	5.0
159.11684	20.1
161.09656	5.3
161.13203	6.0
163.11195	9.8
169.10123	2.9
171.11694	17.2
173.13203	11.2
175.11186	2.9
175.14894	3.0
177.12712	3.3
181.10271	2.4
183.11647	3.0
185.13257	10.8
186.84471	2.7
187.11107	5.4
187.14699	2.8
189.12727	4.9
191.14288	3.7
197.13445	2.8
199.14801	4.2
207.13878	3.1
211.14723	2.4
211.68608	2.6
213.12880	2.9
217.15894	3.0
229.15906	2.4
231.13846	4.1
241.19389	3.6
247.99785	2.5
255.21036	4.2
265.19455	3.9
271.28281	13.3
273.22131	3.3
283.20633	13.3
301.21597	42.5
301.29144	4.1
319.22653	100.0
319.30438	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
57.03429	2.6
66.99911	2.6
67.05496	12.7
69.03425	24.0
69.07059	15.6
79.05478	5.6
81.07051	36.6
83.08609	3.7
91.05446	6.3
92.17941	4.2
93.07041	25.3
95.04936	2.7
95.08607	23.7
105.07034	16.8
107.08611	29.2
109.10162	30.6
117.06999	2.5
119.08604	21.0
121.10148	22.6
123.11725	33.6
131.08566	18.7
133.10133	15.8
135.08040	27.2
135.11679	13.7
143.08514	19.4
145.10114	15.4
147.08054	3.2
147.11703	16.8
149.09633	6.1
149.13242	15.8
151.07524	6.6
157.10094	5.3
159.08028	58.2
159.11678	11.9
161.09598	89.2
165.09161	11.8
171.11667	10.8
173.09645	12.9
175.11183	11.4
177.09151	4.2
183.11827	4.2
185.09596	3.7
185.13330	3.8
187.11153	6.2
195.11617	3.1
197.13309	3.2
199.10941	2.9
199.14903	4.2
201.14687	3.0
209.13319	5.3
223.14845	5.4
255.21065	3.1
265.19418	6.5
271.20703	5.2
273.22034	3.6
277.15884	6.1
283.20508	26.1
301.21558	33.2
319.16788	10.5
319.22665	100.0
319.26001	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	319.2269
Annotation	Agallochin H
Peak:m/z	Relative Intensity
54.73566	3.2
55.01866	3.0
67.05487	5.1
69.07056	18.8
71.08616	13.9
79.05490	4.4
81.07067	7.4
91.05473	14.6
93.07024	7.8
95.04974	3.9
95.08604	5.5
99.08079	4.6
105.07049	6.6
107.08604	4.6
109.10162	5.8
119.08591	19.1
121.10137	7.0
131.08517	5.6
133.10141	19.5
143.08543	5.4
145.10100	5.4
147.11691	7.1
149.09642	4.2
151.11208	6.9
157.10083	3.7
161.09641	4.9
171.11688	6.9
173.13367	4.6
175.11154	3.7
177.12746	8.1
185.13254	4.8
185.51796	3.5
187.14793	39.7
189.12770	5.9
189.16357	18.0
227.59380	3.7
231.17418	20.5
259.20563	8.1
277.15854	6.4
301.21674	34.6
319.16776	7.0
319.22656	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	319.2267
Annotation	Agallochin F
Peak:m/z	Relative Intensity
51.15175	1.7
62.35033	1.9
67.72261	2.5
69.03403	4.9
69.07047	8.6
79.05488	3.6
81.03406	3.1
81.07050	8.9
91.05460	3.2
93.07034	12.0
95.08604	24.3
105.07024	10.6
106.21970	2.0
107.08598	36.0
109.06507	3.4
109.10170	21.7
111.08083	3.4
111.31380	1.8
118.08674	2.0
119.08571	51.6
121.06499	2.9
121.10172	19.3
123.08083	10.9
123.11682	3.5
125.09638	13.0
131.08589	3.9
133.10138	22.8
135.08057	9.9
135.11694	9.7
137.09634	4.6
143.08568	3.6
145.10141	18.3
147.11729	15.0
149.13208	4.4
151.11165	32.5
157.10094	8.0
159.11694	13.5
161.13242	4.9
163.11176	4.0
171.11678	8.1
173.13310	3.1
175.11191	3.6
177.12755	30.4
177.16603	2.4
183.11684	3.5
187.14821	4.3
189.12837	2.5
197.13214	2.6
199.14857	4.2
213.16273	2.6
225.16351	4.1
227.17929	8.9
239.18063	4.4
240.08476	2.4
245.18993	20.7
253.19482	9.1
257.18851	2.7
265.19403	3.3
271.20486	30.3
283.20517	5.0
289.21603	56.3
301.21594	11.8
319.07288	3.7
319.16528	3.8
319.19443	4.3
319.22681	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	319.2266
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.09067	1.6
55.05501	2.4
59.04994	1.8
67.05502	10.0
68.67645	1.5
69.07085	13.9
69.07381	1.7
71.04997	2.5
73.71677	1.7
79.05482	3.6
81.07050	23.3
83.04964	3.9
83.08591	2.6
85.06549	4.0
90.04295	1.7
91.05464	8.6
93.07036	26.5
95.04946	12.2
95.08600	24.1
97.06522	7.5
99.04427	2.5
105.07027	19.5
105.69244	2.0
107.08585	28.5
109.06497	4.5
109.10155	15.6
111.08051	2.0
117.07006	2.9
118.40464	1.7
119.04876	3.4
119.08569	27.1
121.06498	2.9
121.10139	18.7
123.08087	4.0
123.11678	6.5
125.09644	4.0
129.06993	2.5
131.08527	12.6
133.10135	25.1
135.08066	6.6
135.11682	11.2
137.05969	28.7
137.09612	7.8
139.03909	2.7
140.09764	1.9
141.06967	3.1
143.08525	11.8
145.10124	20.9
147.04408	11.3
147.08113	2.5
147.11650	13.1
149.09584	2.9
151.07520	2.3
151.11160	10.4
153.05452	42.0
155.08542	4.2
157.10126	14.3
159.11687	16.9
161.09550	3.7
161.13249	9.3
163.11142	2.7
167.03378	9.7
169.10081	10.2
171.11681	14.1
173.13254	7.6
175.11247	4.2
175.14919	1.9
177.12793	3.6
179.06961	3.9
179.10573	1.9
183.11661	4.5
185.13287	4.4
187.11174	3.6
187.14781	11.7
195.11702	3.3
197.13260	11.6
199.14812	9.5
209.13289	4.1
211.14915	2.2
213.12685	2.4
213.16444	3.3
215.14363	2.4
215.18095	4.1
217.15898	2.2
223.14690	3.3
225.16423	13.3
227.17915	2.6
243.17412	7.4
253.19464	3.1
255.21153	3.5
261.18570	2.0
265.19418	8.4
271.20450	2.3
273.22238	2.4
275.20001	2.1
280.32065	2.2
283.20544	25.1
301.17975	11.3
301.21616	44.0
319.07239	11.7
319.11905	7.8
319.19022	41.6
319.22675	100.0
324.54706	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	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42957	0.8
55.73019	0.8
55.85597	0.8
56.73888	0.8
69.07069	1.6
70.06595	61.5
85.02900	1.2
108.65336	0.9
109.02884	1.4
112.07601	100.0
116.07098	17.1
120.11177	0.8
123.04423	1.0
140.07072	15.0
145.04796	1.2
151.62839	0.8
152.04210	1.0
158.08121	91.6
172.03963	1.3
173.04245	1.1
239.14778	1.0
320.08960	4.7
320.23074	4.4
335.01385	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	320.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97600	0.4
57.19627	0.4
59.04995	0.9
67.05505	0.5
69.03399	0.5
71.05016	0.5
80.48476	0.4
81.07048	0.5
91.05485	0.5
93.07021	0.7
93.53778	0.5
95.08572	0.7
105.07009	0.7
107.04916	0.6
107.08593	0.8
109.10130	0.6
120.08887	0.5
122.07288	25.0
122.10459	0.5
123.08059	0.4
130.07301	0.5
133.06505	0.4
133.10121	0.5
135.08023	0.5
144.08855	0.7
147.08115	0.6
148.08757	0.7
155.08536	0.6
156.08945	0.5
157.10138	0.8
158.10498	0.7
160.11990	0.9
169.10048	0.4
170.10498	0.7
171.11656	0.5
172.12044	0.5
186.13632	0.7
187.11139	0.5
188.11491	0.8
196.12067	1.8
198.13564	2.6
210.13701	0.6
213.12883	0.6
214.13065	2.0
215.10649	1.7
216.11006	3.8
226.16707	0.7
232.14154	2.3
233.11790	0.8
233.83786	0.4
234.12077	5.0
238.16779	0.7
242.12624	0.5
256.17822	1.7
259.05917	0.6
266.20203	0.5
266.30832	0.4
274.18900	4.6
284.17392	0.8
284.20786	1.1
296.37729	0.6
302.18320	5.8
302.21930	2.9
305.40958	0.5
320.12732	5.9
320.19373	100.0
320.22772	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	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76551	1.2
52.77529	1.3
61.94246	1.3
65.97231	1.4
85.02907	2.4
86.09156	1.5
99.65624	1.5
106.01114	1.3
111.05572	2.9
112.72247	1.3
123.05570	2.8
141.06578	13.7
148.56062	1.6
159.07657	7.8
248.15981	1.5
321.05554	3.2
321.11932	100.0
322.87375	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	321.0949
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
52.11546	0.2
52.41819	0.2
56.20435	0.2
56.96564	0.2
58.61062	0.2
61.02932	0.3
64.33887	0.3
69.03422	0.4
81.03419	1.1
81.17101	0.2
82.77540	0.3
84.04483	0.4
84.08127	0.7
85.02890	1.8
97.35139	0.3
98.06042	0.5
98.97564	0.7
99.04446	0.3
99.06375	0.3
101.00884	0.3
108.44480	0.3
109.02865	1.3
112.99081	0.3
113.06008	0.3
121.08939	0.3
123.05444	0.3
127.03786	0.4
133.03458	0.6
140.07062	1.3
141.03908	0.3
141.06532	0.6
141.07487	0.5
143.01898	0.5
155.01883	0.7
157.03481	0.5
158.08064	1.2
158.99597	0.3
159.05017	0.7
159.08484	1.4
171.05069	0.5
177.04475	0.4
177.06068	1.1
219.01823	1.1
219.07167	3.7
221.05090	1.2
231.07179	2.9
233.08609	0.4
237.02777	0.4
245.04968	2.7
255.07082	0.6
273.08243	1.1
308.27512	0.3
321.11447	100.0
339.09778	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	321.0969
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
67.56016	0.6
71.10103	0.5
77.62254	0.5
78.26232	0.5
93.03384	0.9
95.58221	0.5
107.04955	0.6
111.45104	0.5
117.12109	0.5
121.02850	1.1
123.04440	0.7
125.02312	0.9
125.06005	2.0
135.04408	7.2
137.05984	0.9
139.03900	100.0
141.05493	3.9
144.13112	0.5
153.05460	93.3
159.04419	2.6
163.03893	31.3
165.05453	13.6
167.07019	0.7
177.05463	6.8
181.04956	17.2
195.06517	5.1
205.05006	2.2
225.72722	0.6
273.16025	0.7
280.92276	0.7
303.08557	4.1
303.13416	0.6
321.09659	15.8
321.13840	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	321.097
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
52.23275	0.3
55.01871	0.4
67.05490	0.8
69.77000	0.4
73.79965	0.4
81.35107	0.4
84.08141	0.6
87.46329	0.4
89.45069	0.4
91.54018	0.4
92.18446	0.8
95.04973	1.8
102.05542	0.4
105.03387	0.5
106.86504	0.4
107.04978	1.9
123.04457	0.9
127.03942	0.6
131.04897	0.4
133.02876	4.0
135.04398	7.2
138.03110	1.9
139.03906	43.2
146.06035	3.6
147.04436	0.7
149.05974	1.5
151.03999	0.7
153.05464	100.0
159.04407	2.5
163.03883	8.7
165.05490	0.5
167.07092	0.4
174.05452	0.6
176.36255	0.5
177.05420	3.0
183.06540	4.4
191.07076	1.9
195.06528	3.6
201.05476	0.4
203.07004	1.0
209.08076	6.4
215.07149	0.5
219.06546	0.5
225.31108	0.5
229.05031	2.2
237.07610	0.7
256.64267	0.4
258.11621	0.5
261.07599	0.9
262.58887	0.4
272.65140	0.4
303.08719	2.8
314.93549	0.4
321.09702	7.4
321.14841	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	321.0969
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
50.21762	0.8
51.23125	0.8
69.01669	0.8
102.37978	0.8
103.83541	0.9
105.01824	0.8
125.02310	1.6
125.06024	1.5
135.04387	6.8
139.03899	100.0
141.05354	1.2
153.05453	97.3
159.04425	1.7
163.03880	27.8
165.05470	14.4
177.05476	8.2
177.63956	0.9
181.04939	18.6
183.06548	1.7
183.88741	1.1
195.06485	6.8
205.04907	1.3
295.45789	1.0
303.08627	4.0
321.09662	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1121
Annotation	Betulinan A
Peak:m/z	Relative Intensity
50.85062	1.0
54.30656	0.9
81.07015	1.0
85.60391	1.0
93.07041	1.8
95.08591	1.9
106.53133	1.1
107.08636	1.0
139.03874	3.6
153.05449	5.0
163.03944	1.1
189.06969	1.3
201.00591	1.0
218.07256	3.7
219.01703	5.1
229.06482	5.1
237.02937	1.4
246.06696	19.6
257.05902	8.3
261.09079	100.0
273.42300	1.1
274.06201	7.2
275.06888	1.9
278.09369	6.8
279.03836	2.1
285.21970	1.6
289.08557	86.4
290.09320	12.1
293.11639	1.2
303.23135	2.3
306.08884	14.6
315.04523	1.1
321.11200	82.5
321.24084	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	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54349	0.5
57.84973	0.6
60.59283	0.6
85.02935	1.1
141.06567	0.7
219.07037	1.1
229.73163	0.6
231.07184	3.0
236.46629	0.8
245.05003	0.7
321.11832	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	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02145	0.5
53.11721	0.5
70.79764	0.6
71.66904	0.5
73.29371	0.6
81.59147	0.6
82.76339	0.5
111.05587	2.5
115.02465	0.6
123.05593	1.0
133.03473	0.7
141.06590	6.2
155.01961	0.7
157.03517	0.6
159.05038	0.7
159.07658	2.5
177.06102	0.8
219.07202	3.5
221.05083	0.9
231.07202	3.6
240.64453	0.6
245.05127	2.2
255.07178	1.1
290.70663	0.6
303.09283	1.0
321.11618	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	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49707	0.8
64.25291	1.0
81.85710	0.8
84.91237	0.9
92.18504	2.2
93.35326	0.9
116.35802	1.0
122.06001	5.6
125.25978	1.0
136.07533	4.2
137.47653	0.9
147.62971	0.8
150.05489	2.2
200.09486	3.8
215.11783	19.6
219.11317	1.6
228.08937	4.2
231.11508	1.5
232.12122	9.5
233.12904	2.3
242.10431	11.4
243.11263	76.0
253.09669	4.2
256.08444	2.2
260.11508	6.6
261.12320	37.5
264.77325	1.1
271.10770	31.7
289.11810	100.0
321.14410	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1698
Annotation	Zearalanone
Peak:m/z	Relative Intensity
51.83045	0.8
56.71071	1.0
69.03418	1.2
79.05494	1.4
90.70895	1.1
93.07022	4.5
95.04955	1.9
95.08583	2.8
97.02863	1.2
105.07014	2.3
107.08575	1.4
109.06553	2.1
111.08058	2.4
119.04940	1.2
119.08582	9.7
121.06543	7.8
123.08044	11.9
131.04916	2.3
135.08008	1.8
137.05983	1.9
137.09639	9.7
138.10394	1.4
139.07570	1.3
143.08540	2.2
145.06483	1.4
145.10112	2.6
147.08015	11.6
149.05988	11.9
151.07513	1.3
155.08553	2.0
157.06404	1.3
157.10117	1.6
159.08011	1.9
161.05939	4.6
163.07536	5.3
163.11162	18.2
167.08566	1.7
169.10101	2.8
171.07962	1.5
171.11642	1.7
175.07564	9.5
179.03775	1.1
183.08072	1.1
185.09552	1.6
185.13173	1.5
187.11246	1.4
191.10580	1.5
195.11627	1.5
196.08762	4.2
197.09616	2.3
197.13257	5.3
199.07614	1.2
199.11259	2.7
206.10872	1.8
207.11708	1.7
213.09105	6.1
213.12738	2.2
221.13245	2.1
223.11229	2.2
224.11931	4.9
225.09149	1.8
225.12743	15.8
227.14423	3.5
231.11656	1.6
234.10339	2.2
239.14310	4.4
241.12158	2.7
249.12738	5.7
252.11375	2.5
257.15320	1.3
267.13794	28.6
285.14807	24.9
303.15994	10.5
321.16949	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	321.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50294	1.0
56.69833	1.2
63.99792	1.1
74.70023	1.2
79.95533	1.1
81.07089	1.4
93.07042	7.0
102.77061	1.3
118.57276	1.2
119.08623	1.3
133.04489	1.4
143.08578	1.8
165.23622	1.4
166.06474	1.2
186.10365	2.1
195.11710	2.6
219.11716	4.7
223.11234	5.5
223.23462	1.4
231.11777	2.0
232.12393	2.8
236.12019	1.6
237.12698	2.6
246.13960	1.5
249.12683	2.4
250.13510	2.0
261.16467	7.9
264.15067	11.5
279.17429	100.0
280.17670	1.2
321.18506	34.8
321.32651	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	321.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05945	1.8
58.39952	1.8
63.43549	1.8
69.07055	1.6
81.07052	3.6
87.09185	1.7
93.07007	2.7
95.08588	3.2
97.06519	1.8
105.07027	7.2
107.08578	2.8
109.50476	1.7
119.08555	7.9
120.58360	1.5
121.06528	2.0
131.08556	2.7
135.08113	2.0
137.09592	2.4
140.33031	1.8
143.08557	2.3
155.08493	3.5
157.10182	2.4
159.08014	2.6
159.11681	1.9
161.09668	1.8
169.10101	7.6
171.11452	1.9
173.09656	2.7
174.22729	1.7
179.08682	1.9
181.10138	3.9
192.09277	2.1
193.10101	3.0
195.08078	2.1
195.11684	7.8
197.09598	6.9
197.13188	2.3
204.09259	3.1
205.10117	3.6
206.11002	3.9
207.11696	3.6
208.12508	2.2
209.09662	7.7
209.13219	3.4
217.10088	3.5
218.10872	3.4
218.87274	1.8
219.11659	14.7
220.12555	4.2
221.13258	3.9
222.10451	1.8
222.13986	2.5
223.11215	4.2
231.11638	30.8
231.13702	2.0
232.12444	7.0
233.13374	2.1
235.14664	14.2
236.11966	2.2
237.12642	13.7
237.16428	2.4
245.13120	2.2
246.14009	32.2
247.14899	2.3
249.12575	4.0
249.16451	1.8
251.14410	1.8
251.17857	3.5
253.19252	2.3
259.04291	1.8
261.16367	57.7
263.14297	10.9
264.14996	14.8
267.44058	1.9
279.17438	64.7
279.58826	2.4
285.22116	1.9
293.18710	5.7
303.17331	2.1
321.18478	100.0
321.24200	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	321.2425
Annotation	Sarconphytonol
Peak:m/z	Relative Intensity
53.37996	1.6
55.05486	1.9
63.74255	2.0
64.68792	1.7
66.69708	1.9
67.05497	7.2
69.07049	4.2
73.54238	1.9
76.49564	1.9
81.07053	9.8
91.05459	2.2
93.07031	13.4
95.08026	3.3
95.08607	82.9
97.06496	2.3
97.75924	1.8
105.07030	8.6
106.77221	1.8
107.08611	16.4
109.10165	24.5
119.08572	11.7
121.06406	1.8
121.10135	21.4
122.47329	2.0
123.04414	2.7
123.11705	9.4
125.09647	2.8
128.59332	1.9
131.08560	3.6
133.10139	9.7
135.11661	9.4
139.03882	7.5
139.11192	1.9
143.08536	2.7
145.10159	13.0
147.11676	17.7
149.13260	18.1
153.05446	4.5
157.10114	3.9
159.11690	26.0
161.09688	2.1
161.13234	6.7
163.11156	17.5
165.12779	2.4
171.11700	3.0
173.13266	2.4
177.12747	23.1
187.14746	2.2
197.13252	9.1
201.16475	3.9
211.14850	2.5
212.85191	2.0
213.16295	2.3
217.19415	2.5
219.17564	3.1
229.15828	1.9
255.21080	10.8
257.22501	2.2
264.53363	1.8
267.21069	22.3
273.22147	7.1
279.17477	2.6
285.22150	33.0
291.23141	25.3
303.23126	20.6
310.17813	2.1
321.18298	8.3
321.24231	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	321.2424
Annotation	Cladiellisin
Peak:m/z	Relative Intensity
55.01884	12.1
55.05515	15.0
57.07078	7.5
57.09889	6.0
67.05516	50.2
69.07067	69.4
71.08621	80.3
74.22046	7.4
79.05505	34.6
81.07056	79.3
83.08611	10.0
90.27844	6.7
91.05490	35.1
93.07037	67.6
95.08632	42.4
97.06515	18.5
99.08106	46.8
105.07052	43.2
107.08632	45.7
109.10148	14.9
117.07027	12.7
119.08588	47.7
119.69209	7.5
120.66756	7.6
121.10159	15.8
123.11711	10.2
129.07072	12.9
131.08572	32.4
133.10139	51.9
135.11702	15.6
136.04646	7.4
141.06978	10.7
143.08580	10.8
145.10150	59.8
147.11703	55.1
149.09705	8.4
151.68692	7.2
153.05489	17.2
159.11769	8.7
161.13287	18.1
171.11688	61.8
173.13194	9.8
187.14891	17.3
189.12799	44.3
201.16423	11.5
205.15800	11.2
207.13799	9.5
210.00076	8.1
211.15019	7.5
257.22641	8.8
267.21078	10.9
279.17456	88.5
285.22198	56.9
303.23163	95.2
309.47424	8.1
321.18277	10.1
321.24057	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	321.2424
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.68620	4.2
53.03955	5.2
55.01879	6.6
55.05508	7.2
58.97957	4.0
64.32818	4.9
67.05507	66.3
69.07068	33.2
79.05492	23.1
81.03417	64.4
81.07048	35.9
83.04982	17.3
85.06508	4.9
85.09212	5.2
91.05492	57.5
93.07030	23.3
95.04961	36.0
95.08589	19.0
97.06496	7.1
99.16542	4.4
105.07034	25.4
107.08609	20.8
109.06535	8.4
109.10178	22.3
113.05995	4.8
117.07014	7.9
119.08562	68.5
121.10098	6.2
131.08556	6.1
133.10126	100.0
135.07988	5.9
135.11604	6.3
137.09612	10.1
143.08530	26.9
151.11201	46.2
161.09602	64.8
179.10661	53.3
201.16379	5.6
286.69263	4.7
303.23178	77.8
321.24246	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	321.2424
Annotation	Cleospinol B
Peak:m/z	Relative Intensity
53.46627	7.5
54.52049	7.2
55.05511	12.0
58.08955	9.0
63.11544	9.0
64.22817	8.4
67.05512	72.0
67.09853	10.5
69.07066	34.3
71.04990	9.2
71.08643	70.3
78.65871	10.4
79.05501	19.0
81.07057	54.4
83.04977	18.2
85.06552	9.0
91.05492	76.0
93.07042	37.7
95.04948	42.6
95.08602	16.7
97.06523	10.8
102.75983	8.5
105.07009	36.0
107.08604	37.0
109.10150	21.0
117.07022	34.9
119.08568	63.1
121.10123	16.4
123.11710	12.0
129.06984	18.8
131.08572	17.4
133.10144	86.5
135.11687	10.7
139.03885	17.0
143.08569	44.1
145.10149	40.3
147.11711	18.3
151.11174	41.6
153.05476	9.6
161.09621	48.9
171.11665	68.7
179.10695	47.8
187.14812	33.6
205.16066	13.1
207.13853	10.0
219.17282	10.5
224.24510	9.2
234.98769	9.1
247.85750	10.7
285.22086	49.0
303.23038	100.0
321.24219	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.07574	3.3
55.05497	3.5
57.03447	3.5
67.05499	34.6
67.57710	3.3
69.07046	7.6
69.45538	3.0
71.08631	100.0
75.00423	3.5
79.05479	29.1
81.07061	33.8
83.04970	8.2
83.08587	4.6
91.05483	30.0
92.18323	17.5
93.07037	34.7
95.04997	4.3
95.08578	14.9
97.06530	21.6
99.08094	65.8
105.07030	21.5
107.08553	4.1
109.10190	13.1
109.77393	3.7
117.07030	14.8
119.08598	30.1
121.10123	16.6
127.11184	8.2
129.07008	13.1
131.08556	29.8
133.10146	7.2
135.11681	7.0
137.58606	4.8
143.10719	3.9
145.10114	30.1
147.11707	5.4
149.09622	5.4
151.11157	24.5
155.08478	4.5
157.10141	5.8
159.11673	8.1
160.00682	3.5
163.11160	4.5
167.10689	4.8
169.10097	6.5
171.11670	69.6
185.13156	4.6
187.14763	29.3
189.12738	27.8
189.16415	5.2
197.13295	5.5
201.16356	5.9
205.15886	19.5
219.17441	24.2
230.76170	3.9
267.21133	7.5
285.22174	23.0
303.23154	19.7
321.24234	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	322.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
111.05530	0.9
141.06587	0.8
142.06973	1.1
162.03117	1.5
172.01463	0.8
190.02609	1.8
202.94508	0.8
214.96574	2.8
219.01935	1.3
238.96507	8.2
256.97574	79.8
262.04831	1.0
262.96738	0.9
280.97607	12.6
298.98627	100.0
303.99121	0.8
322.00150	7.7
322.06461	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	322.1284
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
57.03430	1.3
61.02914	3.1
63.20699	0.7
69.03423	6.5
73.02891	3.2
81.03416	1.6
85.02904	11.9
87.04459	4.2
97.02885	6.1
99.04437	1.0
109.02868	1.6
109.85468	0.7
127.03921	1.8
130.06503	1.0
132.08028	2.7
142.06519	31.9
143.07307	6.1
144.08096	18.3
158.06018	1.7
159.06729	1.4
160.07565	74.2
202.08592	1.3
205.42453	0.8
218.66881	0.8
322.12851	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	322.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44576	0.3
57.03440	0.8
61.02926	2.0
64.73043	0.3
69.03438	5.1
73.02901	1.2
81.03424	2.7
85.02908	12.7
87.04470	1.6
87.51360	0.3
88.52364	0.3
91.03958	0.5
97.02880	4.1
99.04443	0.8
109.02872	1.8
110.29288	0.3
112.71249	0.3
115.05383	0.7
125.09616	1.3
127.03902	3.5
131.52606	0.3
142.06514	7.2
143.10608	0.4
145.04942	0.8
160.07562	100.0
238.17610	0.4
244.68555	0.4
274.16333	0.4
322.09039	0.7
322.12827	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.1
58.06602	0.8
64.22746	0.4
74.09723	7.0
98.97580	64.2
112.99144	0.8
113.63701	0.5
114.34920	0.6
114.63982	0.5
116.98609	16.4
118.08633	0.9
119.00164	1.0
122.17262	0.6
124.99104	5.3
128.98595	0.7
131.00192	7.3
134.99657	2.3
140.06819	3.9
141.06468	0.6
143.00146	10.2
146.99651	1.0
149.01227	6.8
155.00204	4.0
156.08665	1.0
158.06615	10.3
158.99651	22.6
161.01184	21.7
173.01245	5.0
174.09776	0.7
176.07677	21.6
177.00705	6.9
179.02266	28.3
185.01233	2.4
191.02274	3.6
197.03349	7.5
197.75249	0.7
200.07675	62.7
202.09235	2.8
212.07622	6.1
214.09250	31.9
215.96823	0.6
218.08731	20.2
221.03308	21.9
221.06587	0.7
226.09210	6.6
232.00389	0.6
232.10335	3.7
239.04361	49.5
244.10341	0.7
257.05252	4.1
262.11340	17.7
281.05417	100.0
297.42584	0.6
299.06537	3.5
322.13470	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05483	0.5
55.76385	0.4
61.02936	0.5
61.29015	0.5
69.03415	2.2
79.05478	2.5
81.03415	0.9
81.07050	2.0
83.04974	3.1
83.08617	1.2
85.02893	6.5
91.03938	0.6
91.05454	0.7
97.02886	2.1
105.13589	0.6
107.08589	59.2
109.02826	0.5
125.09619	100.0
127.03958	0.5
137.05984	0.6
142.06520	19.1
145.04950	0.6
147.09261	0.6
150.02718	0.7
160.07561	23.1
163.08714	0.9
175.08649	2.0
181.68626	0.5
214.34315	0.5
222.45625	0.5
248.06371	0.9
274.16257	0.6
279.13406	0.6
322.12787	7.9
322.18518	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	322.2011
Annotation	Croomine
Peak:m/z	Relative Intensity
55.70786	0.6
59.18438	0.6
61.04139	0.5
66.98302	0.5
67.05499	4.3
67.71686	0.6
68.05016	1.3
69.07082	0.9
69.96716	0.5
70.06580	4.2
79.05489	3.4
81.07051	4.3
81.15619	0.7
91.05457	1.0
92.18535	0.9
93.07047	1.0
95.08591	2.7
100.07607	1.1
106.06531	2.8
107.08576	1.1
108.08141	0.9
114.05547	5.0
117.06998	0.6
119.08578	1.0
120.08080	2.9
128.07059	1.5
134.09660	4.2
135.08046	0.6
137.19389	0.6
148.11197	3.7
151.96202	0.6
154.08620	0.9
155.15396	0.6
164.07066	4.9
165.07648	0.7
166.08546	1.0
178.08562	0.8
179.09352	1.3
180.08607	0.8
180.10176	20.6
193.10977	0.7
194.08151	0.8
194.11734	0.9
258.18484	1.3
270.62982	0.6
276.19580	13.5
302.17245	0.8
304.19058	29.4
322.20096	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.8
58.02957	4.5
64.38936	0.9
67.05482	4.2
69.07056	4.8
70.13255	0.9
71.08628	15.3
79.05482	1.8
81.07039	6.3
83.08619	1.4
93.07020	5.3
95.08613	7.4
97.06487	1.3
97.10162	2.3
99.08087	9.0
105.06979	1.2
107.08581	5.3
109.06499	4.5
109.10146	5.8
111.07990	1.1
114.09129	1.9
119.08576	4.5
120.01551	0.9
121.10124	3.9
123.08073	1.8
123.11692	1.0
128.10689	2.3
133.10066	1.3
135.11713	1.3
140.58122	1.0
142.12296	1.6
145.10178	1.2
147.11612	1.3
149.13231	1.8
154.12263	1.8
161.13188	1.6
163.14760	1.2
165.12740	13.4
175.14786	2.1
179.14279	1.2
193.15865	1.9
198.14865	2.3
224.20076	9.2
235.16968	1.5
291.23154	22.7
304.26428	1.4
322.27383	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86801	1.8
116.37851	1.7
120.81415	1.9
132.43402	2.2
180.42215	1.8
323.07358	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	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88747	2.1
57.12561	2.0
58.98231	1.8
60.20411	2.0
68.28848	1.9
71.15907	2.1
81.03420	9.7
84.08180	3.4
86.94662	1.8
92.16302	2.2
98.97547	4.3
101.66905	2.1
109.02862	4.2
124.99109	2.2
251.04338	2.3
269.05353	3.6
275.01071	2.5
292.51138	2.4
305.05389	2.9
323.07327	100.0
323.11066	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	323.1123
Annotation	Luisol A
Peak:m/z	Relative Intensity
53.03948	0.9
54.28630	0.8
71.04986	3.5
81.03414	6.2
85.02882	1.0
91.05465	1.6
95.04953	0.8
109.02876	6.2
112.11259	1.0
113.06004	1.5
119.04918	8.2
123.04430	3.1
130.12256	1.2
133.08301	0.8
136.07558	1.7
139.03931	1.4
147.04399	100.0
153.05479	1.3
155.03369	1.9
164.07060	5.4
165.05388	0.8
182.08179	0.7
189.60272	0.9
291.10278	1.6
305.15009	1.7
323.11127	37.4
323.15591	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	323.1127
Annotation	Luisol A
Peak:m/z	Relative Intensity
55.92154	0.5
55.92411	0.5
57.03428	0.4
59.34826	0.4
60.94110	0.4
69.53992	0.4
69.66739	0.4
71.05003	3.8
72.21729	0.4
75.04485	2.8
78.70400	0.4
79.45663	0.4
80.03588	0.4
81.03422	8.3
82.04205	0.8
85.06541	0.7
91.05482	2.5
95.04994	0.7
97.06524	0.5
97.26662	0.5
99.04459	9.1
109.02894	9.9
113.05997	5.6
119.04945	11.2
127.03877	1.9
128.01028	0.4
141.05490	0.6
147.04405	100.0
161.99629	0.5
165.05415	3.7
204.01250	0.5
223.36969	0.6
236.90282	0.4
245.09315	0.5
246.57443	0.5
263.10284	2.4
305.14758	0.6
323.11234	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
65.03957	0.2
71.05008	2.9
81.03413	6.7
85.02879	0.5
85.06550	1.1
91.05496	2.6
95.04961	0.6
99.04444	1.8
109.02872	4.8
113.06001	4.0
118.46978	0.3
119.04937	12.1
122.06026	0.6
123.48076	0.2
124.07591	0.3
126.09176	0.5
127.03926	0.5
137.06000	0.3
138.45575	0.3
141.05467	0.5
144.34929	0.3
147.04399	100.0
150.05511	0.4
152.07019	1.1
154.08609	5.1
156.10255	0.3
160.36775	0.3
161.05923	0.3
165.05449	1.0
180.06502	1.7
182.24757	0.3
200.80981	0.3
203.08611	0.3
217.37334	0.3
231.07919	0.3
260.08224	0.3
287.13602	0.4
291.10104	1.1
305.14838	0.3
323.11185	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
67.03474	0.6
101.28223	0.6
105.91071	0.6
193.10124	1.3
206.10852	0.8
220.12509	1.1
221.09697	2.3
221.13254	3.5
224.11903	0.8
225.09148	5.7
234.10382	1.0
235.07503	4.6
235.14825	3.5
237.09123	3.3
239.14372	0.8
248.12193	0.7
249.12762	3.7
252.07785	8.3
252.11470	5.8
253.08560	13.4
262.09769	1.3
263.14166	0.9
263.17917	2.6
265.08481	0.8
265.12216	1.1
267.13809	6.1
277.12189	5.1
279.10178	0.8
280.10898	8.2
281.12067	1.0
281.18964	1.4
293.11749	0.8
295.13287	67.4
295.16669	2.5
308.13586	0.6
323.12778	100.0
323.16171	5.1
323.20197	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	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.19738	1.5
53.15519	1.6
53.42673	1.6
53.91628	1.3
55.01841	2.1
55.05511	1.8
57.03410	1.9
61.02915	2.3
64.09646	1.4
67.05473	3.3
69.03408	6.8
69.07063	3.4
69.91535	1.6
77.50289	2.0
81.07069	14.0
85.02902	17.5
85.06526	2.0
92.17896	1.8
92.41801	2.0
93.07046	3.0
94.04600	2.0
95.08595	17.0
97.02912	1.8
97.10175	13.2
105.06995	12.7
107.08570	2.1
109.06460	3.5
109.10156	13.2
109.51585	1.7
121.10139	7.1
122.03658	2.0
125.09636	2.0
131.04889	2.2
133.06474	10.4
133.10089	2.3
137.05966	100.0
143.10739	2.7
146.03709	2.5
159.11674	7.7
159.21298	1.8
161.05962	70.1
161.13239	11.2
167.05087	2.0
169.58885	1.8
171.08038	2.9
197.54292	1.8
199.05881	3.1
199.07536	41.7
202.07710	3.2
203.08582	20.4
220.08800	4.2
231.08015	39.0
231.10062	2.3
232.08803	9.7
248.08347	16.3
249.09064	1.9
259.07474	34.5
260.08307	21.2
262.09869	2.9
263.10663	31.5
276.07764	22.1
277.08508	9.7
291.10147	58.6
292.10815	18.0
293.08072	7.7
295.13269	8.4
308.10388	10.3
308.22925	1.9
323.12753	95.3
323.18341	15.0
323.25851	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.28826	0.6
61.03570	0.6
64.51811	0.5
66.79311	0.5
67.56249	0.6
76.30254	0.6
95.08532	0.7
117.06970	0.6
133.10149	0.9
137.05959	3.2
147.04388	3.9
161.05925	0.8
175.07538	1.6
199.07544	3.3
203.08524	9.1
220.08849	1.0
226.06113	0.7
231.08020	20.0
232.08844	3.2
237.08952	0.9
241.08607	6.1
245.56273	0.7
248.08307	16.8
249.09018	1.2
252.11292	0.8
259.07504	7.7
260.08282	5.0
261.09143	0.7
262.09903	1.1
263.10620	23.7
264.08063	0.7
264.11459	0.8
265.08588	2.9
269.08105	4.1
276.07770	18.2
277.08548	10.9
279.06491	1.0
280.10889	3.9
290.09372	4.1
291.10120	49.9
292.10962	9.9
293.08087	10.1
294.08731	3.9
295.09689	2.6
295.13226	1.2
305.11707	6.4
306.13202	1.2
307.09665	4.2
308.10391	12.8
318.16232	0.6
323.12729	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
62.02865	1.0
66.55248	0.9
79.05481	1.6
85.36166	1.0
103.05439	5.9
105.07025	5.5
107.04937	2.2
121.06515	6.1
123.38817	0.9
131.04924	39.7
132.93697	1.2
133.06494	52.7
133.23212	1.1
135.04422	100.0
143.04941	1.8
145.06462	6.7
149.05963	16.1
157.06464	2.2
160.05214	1.8
161.05969	52.1
162.00383	1.1
163.07526	1.4
173.05946	7.1
185.06042	2.1
186.06726	2.1
187.07544	5.5
188.11143	1.1
191.03482	1.0
235.11208	2.4
245.09592	4.3
263.10709	5.7
293.11768	16.0
308.10458	17.0
323.12769	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68319	0.6
61.94668	0.5
66.31772	0.5
66.67675	0.5
79.05508	0.6
81.07035	1.1
84.96803	0.6
95.62336	0.8
96.08118	4.2
96.65185	0.8
100.79108	0.7
122.06047	0.8
124.06709	1.4
124.07581	32.0
131.99629	0.9
136.07568	16.8
138.09155	1.1
147.04411	5.2
164.07051	100.0
176.78773	0.6
182.08121	53.9
188.21965	0.8
291.09839	0.8
323.12582	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	323.2581
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
55.01886	0.8
55.05505	4.7
57.03434	1.1
66.09210	0.9
67.05171	1.0
67.05511	22.8
69.07085	7.2
71.08629	19.4
79.05492	17.6
81.03419	1.8
81.07059	26.7
81.28578	0.9
83.04979	3.3
83.08607	8.1
84.00476	0.7
85.06507	1.2
91.05480	7.7
92.17947	1.2
93.07039	32.8
95.04955	3.5
95.08606	27.3
97.06537	4.1
97.10157	4.0
99.08102	8.7
103.63399	0.8
105.07049	4.2
107.08588	22.6
109.06460	1.0
109.10151	9.6
111.08100	1.9
119.08585	6.7
121.10138	19.0
123.11727	1.7
125.09589	1.0
133.10144	8.1
135.11707	15.6
137.09651	1.1
141.09084	3.4
145.10146	1.6
147.11678	7.3
149.13251	4.4
151.11186	2.0
161.13280	1.0
189.16351	3.8
207.17438	100.0
305.24716	30.7
323.25851	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	323.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23849	9.9
53.79796	11.1
53.87872	9.6
54.19596	11.2
55.05495	16.5
57.07074	67.8
58.63785	11.5
64.16087	10.9
67.05478	12.4
69.07080	95.5
69.07387	10.8
71.08623	63.6
72.60001	12.1
73.63156	10.1
74.07025	10.1
74.15337	11.1
74.61742	10.4
81.07074	99.2
83.08640	92.8
85.06525	13.6
85.10181	16.5
91.05462	15.2
93.07036	17.3
95.08598	100.0
97.06491	15.8
97.10151	52.7
105.07038	18.5
107.08582	55.3
109.10152	62.0
111.08129	10.9
111.11716	14.8
119.08609	17.2
121.10081	24.9
123.11726	14.6
133.10106	24.3
135.11731	15.0
137.13252	16.5
145.65555	12.7
147.11664	21.8
161.13235	29.1
179.14233	14.2
179.43797	12.3
183.13786	12.1
199.96977	11.3
263.27264	26.1
281.19196	16.4
287.27209	17.3
290.48923	14.4
305.28342	24.1
346.68698	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	324.1079
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.75882	0.4
57.84538	0.4
69.03419	0.9
70.93163	0.4
85.02903	5.5
85.57724	0.5
90.09347	0.4
97.96211	0.5
106.06540	1.0
117.05741	0.7
127.07541	0.6
134.06013	65.2
145.08614	1.0
162.05490	100.0
204.06488	0.9
212.77852	0.5
219.65109	0.5
324.10757	11.4
324.14545	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	324.1442
Annotation	histidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.19839	0.6
53.98762	0.6
54.10112	0.7
58.60897	0.8
67.05495	2.0
69.94657	0.7
72.05334	0.7
73.18673	0.8
79.67672	0.8
84.08149	0.8
87.52609	0.9
91.05473	5.8
93.07028	4.0
95.08598	8.9
109.10172	4.0
119.08576	18.4
124.03948	100.0
128.40231	0.8
137.09618	12.3
139.03900	1.3
147.08061	4.3
165.22838	0.9
165.46107	0.9
181.04945	1.5
218.05254	1.5
223.81532	0.8
238.14818	0.8
257.17291	1.0
324.10538	36.3
324.14417	55.0
342.15125	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	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63552	1.5
52.70897	1.5
53.90609	1.4
55.05505	1.8
60.92466	1.5
61.02931	1.6
66.03791	1.6
67.05498	2.7
69.03423	7.4
73.02914	1.7
79.05462	3.7
81.03410	6.9
81.07058	43.4
85.02902	41.5
85.06542	100.0
97.02877	3.1
99.04469	4.2
109.02863	3.8
109.06503	28.5
120.08132	2.0
127.03904	11.7
127.07544	76.6
130.05014	1.7
131.08160	1.8
145.04953	7.7
148.04771	3.8
155.08440	1.7
162.05536	2.7
168.72369	1.8
190.09840	17.3
191.08157	11.9
253.10754	9.8
267.52399	1.9
271.11725	7.1
283.07907	24.1
289.12775	45.5
307.12869	3.2
307.75671	1.9
324.15439	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	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52548	0.5
54.47330	0.6
61.02917	1.4
67.05511	2.8
69.03419	2.8
70.06595	9.2
73.02911	0.7
75.82925	0.6
81.03413	1.5
81.07066	11.6
85.02913	12.8
85.06544	100.0
97.02886	3.7
99.04493	0.8
103.03850	0.7
109.02875	1.3
109.06511	10.5
112.07594	7.4
113.06026	0.8
115.07553	3.8
119.04942	1.2
121.06477	0.8
124.03924	0.7
127.03910	3.4
127.07547	88.7
136.98883	0.6
140.07043	0.9
145.04970	3.2
145.08607	4.6
147.04416	7.3
148.04733	9.3
158.08131	0.9
167.03407	4.8
205.21997	0.7
260.03760	1.2
282.09686	0.9
324.10971	10.3
324.15134	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	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46234	0.6
55.05500	3.0
57.03432	1.1
58.96230	0.6
61.02911	4.2
63.36554	0.6
67.54496	0.8
69.03435	7.1
70.97805	0.6
71.04991	1.5
72.04485	0.9
73.02910	1.0
73.06557	5.0
81.03393	3.2
84.04472	0.7
84.07740	0.6
84.08149	12.1
85.02905	21.1
86.71694	0.7
87.04439	4.1
90.05553	15.0
97.02891	9.9
99.04460	1.5
102.09180	27.0
109.02852	3.8
127.03902	4.7
144.10193	5.3
145.04967	3.2
161.99501	3.9
162.11241	100.0
247.50209	0.7
303.61014	0.8
324.07986	2.6
324.16495	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50843	0.8
53.72498	0.8
54.37947	0.7
55.05498	3.5
55.98644	0.8
57.03434	1.8
61.02910	1.7
67.65272	0.9
69.03439	6.3
71.04971	1.5
72.04498	1.2
73.02904	1.1
73.06566	6.8
84.08147	11.7
85.02902	19.8
87.04457	1.8
90.05555	10.4
92.37223	0.8
97.02865	7.2
99.04462	1.3
102.08572	1.4
102.09179	24.6
109.02190	0.8
109.02887	1.9
127.03906	4.4
144.10205	7.2
145.04932	1.5
162.11235	100.0
318.31631	1.0
321.10226	1.1
324.16495	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1954
Annotation	CW 69D
Peak:m/z	Relative Intensity
78.99375	0.4
79.05492	5.2
92.17770	0.6
100.56772	0.5
103.05464	22.9
105.07014	1.0
107.04267	0.9
107.04948	16.3
121.06457	1.0
131.04926	15.6
149.05888	1.1
159.02542	0.5
176.14331	47.4
189.15062	1.0
233.14259	0.7
324.19550	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
52.64548	0.9
54.92882	1.0
55.05503	2.2
55.55577	0.9
57.07074	2.2
59.10959	0.8
62.06092	100.0
63.10043	0.9
67.05500	14.0
69.07072	8.1
69.07372	0.9
72.71571	0.9
79.05482	4.0
81.07061	16.9
83.08585	3.5
84.94133	0.9
93.07018	4.4
95.08603	14.1
97.10155	1.2
107.08590	2.4
109.10143	6.7
119.08532	1.4
121.10170	1.8
152.67522	1.1
245.22528	1.8
282.19366	4.8
283.83383	1.2
306.27893	2.3
307.26254	2.4
324.20383	1.9
324.28952	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.07045	0.4
53.03944	0.5
55.05520	0.5
56.10651	0.5
57.03427	1.1
62.38412	0.5
69.03410	2.3
71.04941	0.7
73.02896	0.5
74.13749	0.4
81.03427	8.2
81.07047	0.5
85.02892	6.5
85.06546	0.5
87.81602	0.5
89.03888	1.0
97.02854	1.0
99.04465	1.7
99.08056	0.7
107.06877	0.5
109.02879	16.5
117.03352	2.3
117.09107	4.1
122.06036	0.6
124.03915	2.1
124.61631	0.4
127.03912	5.1
127.07346	0.4
134.06024	12.0
135.04425	6.1
135.06342	13.6
135.89920	0.4
140.06979	0.5
145.02815	8.7
145.04907	2.0
162.05496	16.4
163.03854	100.0
163.05804	22.4
181.04901	1.1
196.05908	0.6
218.39914	0.5
246.14850	0.5
261.12238	2.5
273.70889	0.5
279.13309	2.1
307.12848	1.9
325.09100	40.5
325.13766	4.3
325.17468	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75118	0.6
54.69925	0.4
55.01862	0.4
56.29627	0.5
57.03439	3.9
61.02929	7.7
61.49413	0.5
65.19530	0.5
69.03429	14.1
71.04988	2.1
73.02922	4.1
81.03430	4.6
85.02902	100.0
87.04459	2.8
91.03947	6.2
97.02884	17.9
99.04432	3.4
103.03931	0.8
109.02860	6.8
127.03910	23.0
145.04951	30.2
163.06006	8.4
178.82062	0.5
289.60547	0.6
325.14386	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01874	1.9
57.03430	2.4
69.03437	11.4
71.04992	4.8
73.02906	0.6
74.28235	0.4
81.02977	0.7
81.03424	14.8
81.03885	0.6
99.04462	5.3
105.86827	0.5
105.88798	0.5
117.05451	0.9
147.09180	2.9
163.08649	0.6
169.36598	0.5
173.07137	3.6
175.08650	8.6
191.08144	100.0
196.05600	0.6
205.09679	0.7
213.40475	0.6
233.09399	0.8
289.11722	0.6
307.12857	24.1
325.13910	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.25388	0.3
53.03946	0.7
55.01867	1.1
56.13980	0.3
57.03439	2.4
59.04995	0.3
61.02913	0.6
69.03429	12.6
69.80219	0.3
71.01333	0.6
71.04989	5.4
72.43950	0.3
73.02887	0.5
81.03418	14.5
83.04980	0.5
85.02883	0.6
99.04449	7.2
102.57367	0.3
107.76474	0.3
114.29735	0.3
117.05466	1.9
118.06509	0.4
136.93433	0.3
145.07561	0.5
147.04358	0.5
147.09157	3.0
162.07903	0.6
163.08664	0.3
173.07056	3.0
175.08620	7.8
191.08136	100.0
205.09721	0.7
215.11795	0.5
233.09132	1.6
269.82047	0.4
271.10873	0.5
289.11844	0.5
307.12863	22.9
323.96155	0.3
325.13913	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
54.06490	0.4
59.43802	0.4
61.02931	0.5
61.69460	0.4
69.03416	1.3
73.02901	0.9
81.03394	1.1
84.08141	0.8
85.02908	7.1
92.31189	0.7
97.02869	2.5
98.97561	0.6
99.04434	0.7
103.05448	1.3
109.02863	1.2
116.42513	0.5
117.32963	0.5
118.06525	0.7
127.03889	2.7
131.04901	11.1
137.05930	1.0
145.05023	2.8
145.07597	100.0
147.04395	2.6
150.87708	0.5
155.04689	0.7
158.99529	0.6
163.03809	1.0
163.04953	6.2
163.08635	35.5
163.10010	1.2
189.63316	0.6
218.08047	2.0
234.99045	0.7
235.10840	1.2
247.10748	2.7
261.12183	1.0
289.11761	0.9
307.12766	1.3
325.10483	4.2
325.13895	89.8
337.07178	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	325.1432
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
50.31149	0.9
53.31810	0.9
53.78206	0.7
55.05499	0.9
57.02800	0.9
67.05472	1.4
69.03407	1.6
81.07036	2.4
84.06538	1.0
91.05445	2.4
93.07025	1.8
95.04969	1.9
95.08578	4.0
97.06518	1.7
105.07005	4.7
107.08566	1.7
109.06504	2.0
113.05980	1.1
117.06998	2.0
119.08552	3.9
121.10159	1.8
123.04426	1.3
125.05936	1.0
129.06978	4.4
131.08481	1.3
141.06979	4.3
143.08545	2.4
145.06454	5.4
145.10117	4.0
147.08058	1.7
155.08540	4.1
157.06429	1.5
157.10118	1.7
159.07993	1.6
165.07004	2.2
166.07747	1.2
167.08588	2.5
169.06494	3.9
169.10117	2.1
171.07990	1.4
171.11610	4.0
179.08498	4.0
180.09363	1.6
181.10098	6.5
182.10890	1.4
183.08040	4.0
183.11658	1.4
185.13226	1.1
185.25917	1.0
192.09372	1.2
193.10138	5.8
194.10873	2.3
195.08144	1.4
195.11673	10.3
197.13208	1.2
199.07600	1.2
204.09354	1.6
205.09970	1.5
207.11691	2.2
208.12398	1.5
209.09634	3.8
209.13208	6.2
211.07486	2.2
219.11652	1.9
221.09639	1.7
221.13226	1.8
222.10330	2.4
223.11183	5.7
223.14777	4.2
234.94720	1.0
235.11185	5.1
236.11905	1.2
237.09056	4.2
237.12691	6.7
239.10611	1.8
241.12170	2.4
251.14259	1.4
253.12192	1.9
261.12540	1.5
265.08765	1.4
265.12177	8.5
265.19522	11.4
279.13809	5.5
282.08771	1.6
283.13409	1.3
283.20596	1.4
297.14862	2.3
307.13223	4.2
325.14322	100.0
325.21014	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	325.1434
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
61.52148	0.5
61.96658	0.6
71.88447	0.7
79.56396	0.6
95.53786	0.6
138.43819	0.7
195.08231	1.0
197.06091	0.7
209.09644	4.5
219.08069	3.0
221.09579	0.9
225.05476	1.2
227.10652	2.7
237.09099	12.1
239.10602	0.8
240.07784	4.9
241.04924	0.9
241.08678	1.0
247.07574	3.8
250.06311	1.1
252.07825	2.2
254.09326	3.1
254.13072	0.6
255.10094	5.4
264.07898	0.9
264.11447	1.3
265.08569	11.2
267.06500	7.6
267.10107	4.0
268.07034	0.9
269.15359	2.1
279.13861	3.1
282.08859	17.1
282.12460	8.9
283.09628	11.4
284.10376	2.4
287.61172	0.7
289.12076	0.7
293.11868	2.8
297.14868	3.0
307.13284	3.4
310.11993	4.4
316.29010	0.6
325.14325	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	325.1432
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
50.64193	0.6
55.01859	0.7
55.05503	0.8
69.03407	0.7
79.05489	1.1
83.04982	0.7
91.05469	2.6
93.07011	0.8
95.04963	1.6
97.06538	1.6
105.07009	3.0
109.06501	1.7
113.05974	3.1
115.05433	0.8
117.07014	3.8
119.04900	0.7
119.05735	0.7
121.06474	1.2
123.04355	3.0
124.42883	0.8
125.05943	3.1
129.06975	3.9
131.04895	0.9
131.08525	1.1
133.06451	0.9
141.06891	1.3
142.07639	0.9
143.08537	1.6
145.06465	4.7
147.08058	1.1
151.05286	0.7
153.06911	0.8
155.08524	5.5
157.06487	2.8
157.10075	1.2
165.06996	1.4
167.08513	3.0
169.06474	1.6
170.26427	0.7
171.07973	1.8
173.09515	0.8
178.07747	1.6
179.08519	4.2
180.09273	1.4
181.10063	5.7
183.07985	5.3
183.11592	1.1
185.09723	0.9
187.07544	1.2
192.09290	1.7
193.08496	0.8
193.10123	4.4
194.10927	1.8
195.11623	5.4
197.09499	2.3
199.07544	1.6
199.11131	1.2
204.09297	2.6
205.10115	1.5
206.10854	1.0
207.11679	3.6
208.08896	1.3
209.09612	4.2
209.13272	2.9
211.07541	1.7
211.11040	1.2
213.09033	0.9
219.11659	5.2
221.09508	5.6
222.10381	2.7
223.11082	7.9
225.12837	0.9
232.08714	1.2
233.09520	1.0
233.13243	0.9
235.11154	4.3
236.11848	1.5
237.09125	1.3
237.12762	8.5
239.07532	0.6
239.10594	4.0
241.12274	1.6
246.10347	0.8
247.11148	1.4
250.09979	0.8
251.10544	1.3
251.14380	1.6
253.12289	1.7
255.13821	0.8
260.99408	0.7
261.12704	1.4
263.10672	0.7
265.12253	10.6
279.13638	5.6
283.13303	1.5
289.12076	0.7
295.13385	1.0
297.14844	1.4
307.13324	3.9
325.14307	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	325.1433
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
53.52744	0.3
54.15441	0.3
60.87554	0.3
81.07031	0.6
84.60309	0.4
95.08583	0.8
105.07010	0.7
108.32025	0.4
119.08577	1.0
128.78392	0.5
133.06407	0.5
133.10117	0.7
143.08569	0.6
145.68040	0.4
147.08035	0.5
159.08000	0.5
165.06995	0.6
166.61998	0.5
167.08578	0.9
172.12369	0.5
173.09579	0.5
181.10114	2.6
183.11664	0.9
193.10115	2.1
194.07172	0.5
194.10855	0.8
195.11700	2.0
205.06508	1.0
207.08099	0.5
208.12404	0.8
209.09593	0.7
209.13303	1.9
211.07516	0.5
211.11195	0.6
213.12686	1.7
218.10744	0.5
219.08200	0.6
219.11624	0.7
221.09581	0.5
222.06767	0.6
222.10347	0.8
223.07594	0.8
223.11191	0.5
223.14795	1.8
225.12663	0.6
227.06842	0.5
234.06636	0.8
235.14748	0.9
237.09081	9.2
237.12671	0.9
239.06874	0.4
239.10678	0.9
241.08522	0.6
241.12199	0.6
247.07649	0.8
249.09058	0.5
250.06264	1.0
250.09926	0.5
251.14159	1.5
253.12354	0.6
255.10120	1.9
255.13736	0.9
261.12497	0.8
265.08591	15.0
265.11655	0.8
266.09335	0.5
267.10117	2.1
269.11694	0.9
279.10394	0.4
279.13718	1.7
281.11731	1.7
281.14917	1.4
282.08932	3.3
282.12473	18.2
283.10077	0.9
283.13220	9.4
297.11148	7.2
297.14853	3.6
307.13254	4.3
310.11792	1.7
325.06689	2.8
325.10764	8.1
325.14301	100.0
325.21167	2.4
328.47607	0.4
344.86145	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	325.1435
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
56.75555	0.9
56.85809	0.9
57.79791	0.8
73.03230	0.9
73.21498	0.9
75.96861	1.0
77.31165	0.9
97.09061	0.9
104.06372	1.0
108.36653	0.9
141.00784	1.0
191.56100	1.0
209.09624	5.9
219.08060	1.3
237.09045	9.7
240.07811	4.5
247.07552	1.6
252.07800	1.4
254.09419	1.5
255.10205	6.0
264.07880	1.0
265.08566	7.0
267.06528	9.1
267.10034	3.8
268.11127	1.1
279.13892	1.9
282.08884	14.4
282.12515	7.6
283.09631	7.1
284.10422	2.2
292.10889	0.9
293.11758	1.7
297.14743	1.5
307.13211	3.4
325.14340	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	325.1647
Annotation	10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Peak:m/z	Relative Intensity
53.19773	0.7
69.03422	1.2
72.90768	0.8
79.05487	1.0
81.07061	3.2
83.04969	1.2
86.72751	0.9
86.93870	0.8
87.01379	0.9
91.67754	0.8
92.17867	1.0
93.07009	1.6
95.08547	1.2
105.07045	1.4
109.06503	5.0
114.77948	0.9
121.06521	3.5
123.08082	1.8
131.08583	1.2
135.08047	1.0
137.06007	1.8
137.25717	1.0
143.07523	0.9
143.08557	1.7
145.06429	1.9
146.07278	1.0
147.08054	1.9
155.08543	1.4
157.06480	1.0
157.10115	1.7
159.08051	5.7
161.09610	0.9
169.10083	1.1
171.08005	1.6
171.11670	1.2
173.09602	23.4
176.76115	0.9
181.10078	1.3
183.11679	1.3
185.09639	3.9
187.07637	1.8
189.09045	1.7
195.11755	1.1
197.09674	1.8
197.13275	3.3
198.10567	0.9
199.11163	15.4
201.09081	1.9
201.12785	6.2
207.11763	1.5
209.09665	1.1
210.10478	2.1
211.11133	6.0
212.36565	0.8
213.09099	1.8
213.12718	6.1
215.10651	4.4
215.14253	2.1
217.12201	5.1
223.11227	1.9
225.12732	11.8
226.09830	3.5
227.10669	6.8
229.12256	5.3
231.13765	4.2
235.11040	1.0
241.12192	8.3
243.13765	7.3
245.11685	4.1
253.12245	5.7
259.13300	11.7
261.14847	1.7
271.13260	14.2
276.13586	5.5
277.14377	5.1
289.14291	22.0
307.15366	100.0
323.88016	1.1
325.10706	2.0
325.16504	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1647
Annotation	10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Peak:m/z	Relative Intensity
61.25697	0.8
71.01354	1.3
76.02657	0.7
81.07043	1.0
83.04958	1.3
89.74796	0.9
93.07047	1.2
94.96136	0.8
95.04960	1.6
99.04453	1.1
101.81252	0.8
105.07019	1.2
105.51588	1.0
109.06512	3.5
119.08560	1.1
120.62919	0.8
121.06510	5.1
123.04451	0.9
123.08022	1.5
131.08585	1.7
133.06519	4.1
135.08067	2.1
137.05984	4.0
143.08540	2.1
145.06450	1.4
145.10098	1.8
147.08060	1.9
147.11726	0.9
153.98012	0.8
155.08562	1.9
155.38567	1.0
157.06427	0.9
157.10104	4.4
159.08052	11.4
161.05827	1.0
161.09602	1.9
163.07513	1.4
167.08443	1.0
169.10115	2.0
170.63557	0.8
171.08060	4.4
171.11665	1.1
172.08823	1.4
173.09610	38.6
175.07556	1.2
175.11142	1.9
179.08624	1.1
181.10097	2.1
183.08073	1.3
183.11676	2.1
185.09612	5.5
187.07469	1.5
187.11125	3.8
189.09109	3.9
189.12802	1.1
195.11649	2.0
197.09544	6.3
197.13275	4.2
199.11194	8.0
200.53770	0.9
201.09081	3.8
201.12805	4.2
203.10672	1.1
207.11690	1.7
209.09669	1.4
210.10370	4.2
211.11137	9.7
213.09102	1.2
213.12766	9.5
215.10641	11.7
215.14096	1.3
217.12247	3.7
223.11174	4.0
225.12782	13.4
226.09998	1.1
227.10703	7.5
229.12248	3.6
231.13666	7.6
235.11209	2.0
241.12204	18.2
243.13829	4.6
245.11781	1.8
247.10950	1.3
253.12199	4.2
259.13251	23.7
271.13272	12.6
276.13565	11.8
277.14322	11.9
289.14334	27.0
307.15417	100.0
325.16650	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	325.1647
Annotation	10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Peak:m/z	Relative Intensity
63.47610	0.9
75.97689	1.1
78.97446	1.0
79.05515	1.0
81.07066	4.0
82.65305	1.0
93.07026	2.3
105.07031	1.5
107.08578	1.4
109.06526	1.9
121.06509	5.0
123.08050	1.5
143.08531	1.7
145.10080	1.4
147.08052	2.3
149.06038	1.3
149.09642	1.0
155.08585	4.3
157.10080	2.0
159.08028	4.5
161.09564	2.0
173.09627	11.4
173.13332	1.2
174.02469	1.1
177.09137	1.6
181.10152	1.3
183.11719	1.8
185.09676	2.0
187.07573	1.9
187.11162	1.4
193.10228	1.1
197.09761	1.6
197.13301	4.6
199.11189	19.4
201.12772	5.1
207.11679	2.2
210.10330	1.2
211.11198	5.5
213.12805	1.1
215.10596	4.5
215.14325	4.0
217.12244	5.1
225.12666	9.2
227.10657	9.9
229.12268	4.5
241.12187	2.2
243.13788	7.9
245.11792	4.4
253.12302	4.2
259.13333	4.6
261.14865	2.0
271.13260	14.9
277.14188	1.1
289.14346	20.6
307.15378	100.0
325.09747	1.2
325.16522	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	325.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37388	1.5
51.66726	1.8
55.05481	3.3
57.07051	2.3
67.05480	10.8
69.07037	3.2
71.08572	2.6
79.05463	12.0
81.07048	19.9
83.69970	1.9
91.05437	13.5
92.18497	3.3
93.07045	35.6
95.08608	25.5
105.07021	17.7
107.08590	19.6
109.06464	2.5
109.10159	4.5
113.47487	2.1
117.06986	4.9
119.07853	2.1
119.08580	25.8
119.68298	2.3
121.10097	13.4
123.11697	3.6
124.66016	2.0
129.06967	3.8
131.08551	22.9
133.10107	15.9
135.11646	3.7
141.06981	2.4
143.08563	18.8
145.10103	35.7
147.08043	2.4
155.08507	4.4
157.10127	16.8
159.11613	11.6
166.07800	2.3
167.08505	9.6
169.10059	11.2
171.11662	19.1
173.13223	4.0
179.08505	4.6
181.10089	24.0
183.11679	15.1
185.13187	3.4
193.10071	7.6
194.10852	11.7
195.11707	29.1
197.13234	9.2
204.26477	2.2
208.12340	2.7
209.09482	3.0
209.13245	31.7
211.14757	3.5
215.18036	3.0
221.13202	4.5
222.13989	8.6
223.14816	29.7
233.18962	3.3
235.14778	4.5
237.09041	2.6
237.16272	9.3
240.07886	2.7
250.16977	7.9
265.19476	76.5
282.08633	4.4
283.20358	9.8
325.14407	43.5
325.21490	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	325.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67650	2.2
55.46091	1.8
66.83623	2.5
67.05490	8.5
69.07044	3.8
77.06170	2.3
79.05478	5.1
81.07063	10.3
87.68464	2.0
90.27696	1.9
91.05476	8.2
92.12009	1.9
93.07050	24.1
93.26096	2.1
95.04938	3.0
95.08598	28.6
96.05453	1.8
105.07026	21.8
107.08633	14.6
109.10139	3.5
117.06995	4.1
118.85780	2.0
119.08566	26.7
121.10130	12.6
129.07036	5.0
131.08577	14.9
133.10123	23.2
135.11642	2.6
142.07854	2.6
143.08568	17.2
145.10120	43.8
147.11716	3.1
155.08557	11.7
156.09418	2.5
157.10124	15.2
159.11703	12.7
161.09735	2.3
162.77106	2.0
163.11237	2.4
165.06976	2.5
167.08528	11.5
169.10107	12.8
170.73276	2.1
171.11673	14.9
173.13290	4.2
179.08568	4.7
180.09322	3.8
181.10066	22.2
182.11018	2.1
183.11736	11.5
185.13300	8.6
193.10123	8.2
194.10931	11.8
195.11693	29.6
197.13237	12.3
207.11671	8.3
208.12454	3.1
209.13249	40.2
211.14813	4.1
221.13350	7.2
221.51447	2.1
223.14769	33.1
224.15564	2.7
235.14804	3.1
236.15692	3.8
237.16432	4.9
250.17171	4.4
265.19495	91.7
283.20551	4.2
325.14398	11.6
325.21518	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	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
56.34896	2.0
58.62979	2.1
62.08650	2.0
67.05505	8.5
75.02722	2.3
79.05491	8.6
81.07054	13.1
81.11766	2.2
84.64579	2.1
91.05501	16.5
93.07049	29.9
95.08611	21.2
95.19981	2.1
105.07059	21.7
107.08589	18.1
109.10147	5.4
117.07008	12.5
119.08578	31.1
121.10136	8.6
129.07062	8.0
131.08559	19.9
133.10129	22.6
143.08545	18.2
145.10139	32.8
147.11671	4.0
151.37224	2.6
151.81787	2.4
151.82982	2.3
155.08559	9.2
157.10130	12.2
159.11696	13.5
166.07748	2.4
167.08551	12.3
169.10129	12.7
171.11679	20.2
179.08601	5.5
180.09329	3.8
181.10136	20.3
183.11716	15.0
185.13277	13.7
190.65627	2.2
193.10075	9.2
194.10927	13.3
195.11688	28.6
197.13255	5.1
207.11726	2.6
208.12428	12.0
209.13237	39.3
209.61540	2.4
211.14809	3.1
221.13222	9.2
222.13963	5.4
223.14836	36.7
235.14816	2.3
237.16380	9.1
250.17177	3.4
265.19522	74.3
283.20712	3.3
299.95581	2.4
325.14279	4.8
325.21591	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	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
61.94984	1.9
67.05495	7.7
79.05479	4.1
81.07040	10.6
91.05455	9.7
92.17860	4.0
93.07044	18.3
93.08524	1.7
95.08588	24.4
105.07025	11.9
107.08592	9.2
109.10160	2.0
117.07016	7.8
119.08575	18.3
121.10133	12.2
129.06998	7.5
131.08559	12.4
133.06482	4.1
133.10114	24.9
134.67834	1.8
141.07004	2.2
143.08571	11.3
145.10092	25.4
147.11688	4.0
148.75381	1.7
155.08565	7.9
155.58565	1.8
156.09285	2.9
157.10089	12.2
159.11699	10.7
165.07034	2.7
167.08531	7.1
169.10117	11.5
170.10944	2.1
171.11639	17.2
173.13216	4.0
179.08513	8.4
180.09319	2.9
181.10085	19.8
182.10951	3.0
183.11693	9.2
185.13283	7.0
193.10103	7.5
193.28015	1.8
194.10837	12.9
195.11694	23.0
197.13219	8.7
207.11702	7.7
208.12495	4.5
209.13216	28.7
210.14055	2.1
211.14827	2.6
221.13339	3.7
222.13940	4.0
223.14816	32.5
235.14822	9.8
237.16406	4.5
250.17168	7.9
253.39819	2.0
265.19485	100.0
283.20486	3.2
325.21561	70.0
325.25208	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	325.2162
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
62.18952	2.3
67.05501	6.6
79.05477	3.5
81.07052	14.6
91.05486	22.1
92.18436	4.8
93.07035	31.1
95.08600	25.9
105.07020	25.7
107.08611	21.5
109.10151	6.1
115.24514	3.0
117.07021	6.3
119.08557	26.2
121.10143	13.7
129.07022	4.6
131.08556	21.8
133.10153	23.5
141.07036	2.9
142.07722	3.1
143.08562	20.5
145.10133	39.1
147.11865	3.1
155.08559	12.1
156.09302	4.0
157.10162	20.1
159.11688	15.9
167.08562	13.5
168.09294	3.1
169.10120	17.0
171.11627	21.4
179.08522	6.3
180.09329	5.5
181.10129	31.5
183.11729	22.2
185.13239	5.0
189.12762	2.8
193.10196	5.7
194.10909	14.6
195.11685	34.8
197.13216	11.0
207.11697	4.0
208.12476	11.3
209.13235	38.7
210.13904	3.4
211.14856	4.9
214.60565	2.9
221.13252	4.3
223.14809	45.9
224.15652	3.3
235.14793	5.7
237.16298	4.9
250.17192	5.7
265.19485	86.3
303.84103	2.8
325.14304	3.5
325.21542	100.0
325.25174	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	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.05523	2.1
63.17124	1.7
67.05494	9.9
69.07066	2.5
79.05464	3.6
81.07055	8.6
83.08588	2.1
91.05467	3.9
93.07041	17.3
93.85931	2.1
95.08601	26.5
105.07023	16.5
107.08574	18.0
110.31345	2.0
117.07003	4.9
119.08590	24.0
121.10131	10.4
129.06996	4.3
131.08553	15.7
133.06494	4.4
133.10130	19.7
140.92773	2.4
143.08542	13.7
145.10115	21.8
147.11659	2.4
155.08554	9.3
156.09348	2.6
157.10132	15.5
159.11693	10.9
167.08522	11.0
168.09329	2.9
169.10123	12.2
170.10963	2.1
171.11690	16.4
173.13181	3.5
179.08536	8.7
180.09291	4.6
181.10098	22.8
183.11697	15.2
185.13194	4.9
193.10088	4.1
194.10895	11.7
195.11684	26.4
197.13290	8.0
207.11635	2.9
208.12495	12.0
209.13242	28.3
211.14882	2.4
221.13309	2.3
222.14078	3.0
223.14810	29.7
235.14761	8.6
237.16312	10.9
250.17183	9.4
265.19482	100.0
283.20630	4.4
325.21536	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	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
54.65642	1.9
55.05514	2.2
61.71420	1.7
67.05496	9.9
69.07061	2.1
77.08462	1.8
79.05471	2.9
81.07056	9.8
83.08589	2.0
90.34249	1.8
91.05468	10.8
93.07053	15.4
95.08611	27.1
105.07021	12.9
107.08596	9.1
107.23191	2.2
109.10130	3.6
117.07012	8.2
119.08589	17.1
121.10144	10.6
129.07002	3.7
130.07770	3.1
131.08524	18.7
133.06451	3.9
133.10156	24.8
135.11694	4.1
137.09566	2.0
141.06944	2.3
143.08548	13.0
145.10141	27.5
147.11681	9.6
151.93752	2.3
155.08548	8.5
156.09386	3.8
157.10138	13.5
159.11676	12.5
167.08554	12.2
168.09369	2.2
169.10074	10.1
170.10985	2.3
171.11703	13.0
179.08601	7.7
180.09314	7.7
181.10117	23.5
183.11659	21.9
185.13266	11.5
186.34995	2.1
193.10074	8.4
194.10896	8.1
195.11708	24.0
197.13309	9.5
208.12488	10.7
209.13242	31.2
210.14090	2.0
211.14850	2.4
221.13293	7.7
222.13997	5.0
223.14809	31.2
235.14775	11.5
237.16379	2.6
241.12155	3.4
250.17206	10.1
265.19485	100.0
283.20575	4.5
325.14087	2.2
325.21564	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2164
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
52.87503	0.4
54.16043	0.6
55.05512	0.6
62.30076	0.6
62.44210	0.5
67.05504	1.0
69.07066	0.7
79.05479	1.0
81.07043	2.7
83.08630	0.7
85.06534	1.0
91.69922	0.6
93.07039	2.9
95.08595	4.0
97.06091	0.5
97.06539	8.9
105.07027	1.1
107.08602	1.4
109.06537	1.0
109.10155	2.5
111.08076	1.0
119.08576	1.4
121.06512	1.1
121.10163	1.2
123.08028	0.8
131.08582	7.2
133.10107	5.3
135.08060	1.2
143.08569	2.7
145.10081	3.4
155.08543	2.4
156.80708	0.7
157.10155	5.9
159.08047	2.9
159.11656	1.3
161.05975	1.2
161.13275	1.1
163.09775	0.6
169.10127	1.4
171.08040	0.8
171.11667	2.7
173.09621	3.7
173.13287	0.6
181.10094	3.9
183.11627	6.1
185.13304	0.7
189.12755	0.8
191.48601	0.7
193.10199	0.8
195.11702	3.2
197.13245	4.6
199.02904	0.6
199.11162	1.1
201.12675	0.8
201.16403	0.7
207.11691	1.2
208.12419	0.7
209.13187	2.6
211.14819	2.8
213.12770	1.1
221.13254	1.0
223.11208	2.8
223.14809	9.4
224.15536	0.7
225.16499	0.6
226.17162	0.7
235.14815	0.7
237.09106	0.9
237.12836	0.8
237.16495	0.9
239.14255	0.9
241.15814	3.3
249.16396	3.8
251.10684	3.4
251.14268	0.8
253.15883	1.4
255.17410	2.9
260.54251	0.6
263.17935	3.7
265.19611	4.5
267.10049	1.0
267.17496	5.5
268.10907	3.5
268.18207	15.4
269.11630	0.9
281.19147	0.8
282.08838	1.3
282.12201	0.9
283.10239	1.1
283.13266	9.3
289.19583	1.2
307.20612	1.3
325.14816	12.8
325.18210	5.7
325.21591	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	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.05499	2.4
67.05511	3.9
74.03849	2.5
79.05481	4.2
80.88725	2.4
81.07039	11.2
91.05459	4.8
92.17808	5.2
93.07034	16.9
95.08610	27.9
105.07043	13.4
107.08574	9.9
109.10122	3.4
117.07004	10.5
119.08582	17.4
121.10170	6.1
129.06970	12.7
131.08574	10.8
133.10135	19.0
141.06920	9.6
143.08556	14.3
145.10080	49.5
147.11682	2.9
155.08569	11.6
157.10143	17.3
159.11665	13.8
166.07797	3.5
167.08568	13.5
169.10089	13.2
171.11697	17.1
179.08449	3.5
180.09343	3.9
181.10071	28.0
182.10812	2.7
183.11726	20.2
185.13220	9.2
193.10143	11.8
194.10901	4.4
195.11716	34.2
197.13252	15.1
197.77049	2.5
205.12184	3.2
207.11638	5.9
208.12621	3.7
209.13257	46.2
218.18193	2.7
221.13312	5.7
222.14098	3.1
223.14771	43.0
235.14891	5.5
237.09085	4.3
237.12767	3.1
237.16461	7.7
250.17174	5.8
251.55411	2.8
260.28070	2.5
265.19482	100.0
283.20590	5.4
325.14343	58.9
325.21567	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98489	2.1
55.05516	4.7
57.03429	3.7
57.07079	5.0
67.05506	61.2
69.07063	10.4
79.05490	31.8
81.07058	68.1
83.08611	5.2
83.15701	2.4
84.83799	2.2
85.06520	2.9
91.05469	18.4
93.07034	62.6
95.04954	4.0
95.08605	50.9
99.08078	3.4
105.07014	13.9
107.08597	41.9
109.10144	34.5
117.07014	5.2
119.08576	12.8
121.10140	55.1
123.11703	22.4
131.08595	30.3
133.10129	15.9
135.08044	17.3
135.11687	45.9
143.08578	3.3
145.06459	2.8
145.10101	24.9
145.33443	2.4
147.11688	6.1
149.13242	21.2
151.11337	3.0
159.11653	21.3
171.11658	2.7
172.21483	2.4
173.13249	14.6
180.65504	2.7
181.10083	4.2
187.14920	3.5
195.11665	4.4
195.92075	2.7
205.19568	6.0
209.09587	3.1
209.13176	3.1
215.17928	38.8
233.18999	73.2
237.09084	9.5
237.99886	2.4
251.19969	4.7
265.08514	11.2
265.19440	12.1
267.06418	4.8
282.08875	12.7
282.12268	3.9
283.09683	12.9
299.17853	3.0
307.22562	4.9
325.14322	100.0
325.17789	10.8
325.24008	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.05516	38.7
55.59449	2.4
57.03407	3.1
57.07079	2.8
67.05159	3.9
67.05501	51.0
69.03463	2.7
69.07064	34.8
71.45686	2.2
73.09237	2.3
73.88899	2.3
79.05511	21.3
81.07059	92.0
83.04981	62.0
83.08618	19.9
85.02913	3.9
85.06527	11.9
91.05470	10.7
92.17886	5.6
93.07040	42.3
93.42773	2.6
95.08601	100.0
97.06516	5.6
97.10158	4.4
105.07052	19.6
107.08599	39.9
109.06528	6.2
109.10141	43.5
111.08076	6.2
111.11699	2.6
119.08575	17.4
121.10122	37.4
123.08058	3.7
123.11700	20.8
125.09668	5.0
131.08566	4.9
133.10094	12.2
135.11658	22.1
137.06029	2.8
137.13280	4.9
142.49213	2.4
145.10114	10.8
147.11684	10.7
149.13249	14.6
159.11676	10.4
161.13022	2.9
163.14848	4.7
165.31166	2.3
175.14870	4.5
177.16376	3.2
227.49232	3.1
271.24078	3.7
289.25357	5.8
307.26373	10.6
325.10791	7.6
325.14380	13.6
325.23853	4.2
325.27328	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	1.7
55.05288	1.8
55.05521	36.2
57.03448	1.7
57.07061	11.0
67.05511	41.4
69.03429	1.8
69.06739	1.7
69.07069	33.0
71.04971	3.8
79.05500	20.4
81.07062	97.0
83.04512	3.0
83.04982	59.4
83.08616	14.3
85.02879	2.0
85.06563	17.1
87.25887	1.8
91.05457	9.5
92.18599	3.7
93.07038	43.5
95.04939	3.7
95.08602	100.0
97.06506	9.1
97.10152	9.1
98.33375	1.7
99.08074	3.7
105.07030	23.0
107.08598	39.4
109.06512	3.8
109.10152	60.1
111.08057	13.5
113.09663	2.5
117.07009	1.9
119.08588	20.4
121.10143	25.7
123.08077	6.3
123.11717	18.1
125.09581	2.8
131.08536	3.2
133.10132	14.8
135.08098	1.7
135.11668	21.7
137.13237	3.4
145.10120	9.6
147.11653	8.6
149.13235	11.4
159.11629	7.7
161.13216	7.6
163.11127	2.0
163.14810	3.8
166.08556	2.3
173.13228	2.3
174.76320	1.6
177.16342	2.4
189.16377	2.5
191.17918	2.6
215.17969	2.3
271.24200	3.2
289.25156	11.9
295.26215	2.0
307.26297	13.2
308.14899	2.6
325.10504	2.9
325.16638	13.9
325.24213	3.3
325.27344	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03957	2.5
53.19569	2.7
55.05521	28.4
55.29766	2.2
57.03436	3.4
57.07080	4.1
58.47335	2.5
59.82619	2.3
67.05511	43.2
69.07068	33.8
71.05026	3.4
79.05486	23.3
81.03422	3.3
81.07060	95.6
83.04980	62.6
83.08611	13.8
85.06540	10.9
91.05471	11.9
93.07043	34.7
95.08602	100.0
97.06514	5.9
97.10182	6.6
99.08134	3.5
105.07023	22.0
107.08600	46.0
109.06474	4.9
109.10152	52.2
111.08079	12.1
119.08556	19.0
121.10137	29.6
123.08059	3.8
123.11676	17.2
125.09606	5.6
131.08551	5.4
133.10147	18.2
135.11665	24.4
137.09702	2.9
137.13243	3.4
143.72270	3.2
145.10097	6.4
147.11726	14.1
149.13254	17.4
159.11743	3.8
163.14813	10.8
173.13248	4.7
271.24194	4.4
289.25165	15.2
307.26263	11.9
325.14243	10.6
325.27374	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49360	3.1
57.03431	6.1
61.02922	7.4
69.03420	23.5
71.05000	7.0
72.04463	3.4
76.83012	3.4
81.02986	4.8
81.03422	96.2
82.63028	4.2
82.82301	3.4
83.01418	3.4
83.53752	3.6
84.04506	3.7
85.02906	32.1
85.06533	8.5
86.09697	5.0
91.05470	84.3
95.04955	8.8
97.02894	33.3
98.97595	5.4
99.04445	7.1
100.03957	17.2
101.06003	7.4
107.04913	32.8
109.02871	83.9
113.06003	21.4
118.05051	4.8
119.04910	17.9
122.06023	14.7
123.04436	7.1
127.03918	28.6
131.04916	3.8
133.02853	6.6
135.04442	6.9
137.06003	8.2
141.05415	36.7
144.06546	19.2
145.07588	5.3
146.05960	33.8
147.04356	6.8
147.06503	23.9
150.05576	7.0
155.04634	4.5
158.99716	5.8
161.24562	4.2
162.07585	13.3
163.03804	12.5
163.04965	4.9
164.05438	7.8
164.07062	17.0
169.04929	4.3
172.07495	4.8
175.03912	29.1
179.03249	4.3
180.08783	17.0
192.06554	44.9
195.08690	6.8
197.03868	6.0
206.08116	4.5
218.04755	6.0
220.06000	38.8
247.08105	17.7
250.10608	4.5
263.07458	4.4
265.27222	3.6
290.12061	5.3
291.07144	8.4
308.07623	78.3
308.11197	14.4
309.08350	29.1
326.10809	100.0
326.14597	17.0
326.18094	9.0
327.09198	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	326.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32246	0.6
53.55904	0.6
59.05005	0.8
70.92648	0.5
70.97903	0.7
71.18125	0.7
79.05492	11.6
83.08605	4.0
85.02901	1.2
86.09742	0.8
91.05461	1.2
97.02894	0.9
97.81701	0.7
101.06049	0.6
103.03934	3.5
105.07042	2.4
107.04951	100.0
109.02914	0.8
114.12984	0.8
118.06521	4.1
127.03903	0.7
129.09096	4.8
131.03397	21.2
132.08083	20.6
147.06503	3.6
147.10170	1.1
149.06018	6.1
150.07541	0.7
160.06046	20.1
164.04231	1.6
177.92485	0.9
178.07117	28.3
178.08609	3.4
262.10693	0.9
266.10159	6.6
280.11731	4.9
308.11099	0.9
326.12204	20.7
348.47736	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	326.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67983	0.4
50.70160	0.3
55.05514	0.6
55.74714	0.4
59.61441	0.4
65.01939	0.4
69.07040	0.6
70.06602	0.4
71.01350	0.6
79.80232	0.5
81.03461	0.5
83.08627	3.8
85.02917	0.6
87.08090	0.6
103.03944	4.2
103.05457	1.1
105.07036	6.1
111.08089	0.7
115.05431	0.5
115.38835	0.5
117.05750	0.8
129.09145	4.3
130.06543	3.7
131.03387	3.3
131.04953	0.7
132.08087	100.0
147.10184	2.1
150.09158	0.9
178.08624	12.6
262.10760	2.2
271.22656	0.5
279.22723	0.5
280.11783	29.5
281.90305	0.5
326.12396	15.2
326.15933	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	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	20.2
64.61206	0.9
69.03434	0.9
85.02895	7.3
87.04449	2.0
97.02905	1.5
101.06014	11.7
115.03933	9.1
129.05470	100.0
145.05016	1.3
147.06508	26.4
180.08681	3.2
282.68024	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	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46512	1.0
54.98342	0.9
55.01849	1.0
55.05504	5.5
57.03420	1.3
58.07401	1.1
63.23436	1.1
69.07076	9.7
77.41459	1.3
81.90427	1.0
83.08617	33.5
85.02898	8.0
87.08096	5.1
91.05489	1.8
91.73893	1.3
93.07030	1.7
103.03898	1.6
103.07564	4.8
104.07906	1.6
105.07027	5.6
111.08083	19.4
117.05728	1.7
129.09111	84.2
130.06499	2.8
131.03391	1.3
132.08084	100.0
147.10136	28.7
152.53377	1.1
159.75365	1.1
178.08612	13.9
224.29575	1.1
253.00946	1.1
262.10791	2.1
280.11755	33.5
326.12329	18.5
326.15717	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	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46512	1.0
54.98342	0.9
55.01849	1.0
55.05504	5.5
57.03420	1.3
58.07401	1.1
63.23436	1.1
69.07076	9.7
77.41459	1.3
81.90427	1.0
83.08617	33.5
85.02898	8.0
87.08096	5.1
91.05489	1.8
91.73893	1.3
93.07030	1.7
103.03898	1.6
103.07564	4.8
104.07906	1.6
105.07027	5.6
111.08083	19.4
117.05728	1.7
129.09111	84.2
130.06499	2.8
131.03391	1.3
132.08084	100.0
147.10136	28.7
152.53377	1.1
159.75365	1.1
178.08612	13.9
224.29575	1.1
253.00946	1.1
262.10791	2.1
280.11755	33.5
326.12329	18.5
326.15717	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	326.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71246	0.6
57.07064	1.1
60.93417	0.6
69.07047	0.8
76.80559	0.7
79.05480	1.1
81.03396	0.8
84.04510	1.5
85.02905	2.5
93.07032	1.5
95.08640	0.7
100.80795	0.7
102.05555	0.7
107.08581	1.1
108.08121	16.3
109.08857	0.8
110.09668	0.8
122.09663	5.7
128.99101	0.6
135.11713	6.6
136.11212	1.3
142.04967	1.0
150.12759	13.6
151.13567	11.4
152.14349	7.3
193.73177	0.7
210.07613	1.0
236.16406	1.0
247.11624	1.0
280.15527	0.9
282.16983	100.0
284.18588	4.8
314.04147	0.8
326.19614	73.3
326.38690	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	326.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44250	0.4
53.90263	0.3
57.38009	0.3
59.67602	0.3
61.65496	0.3
62.27857	0.4
66.61771	0.3
73.67999	0.4
75.02670	0.4
78.85936	0.3
93.03733	0.4
106.40135	0.3
121.01366	0.7
137.00833	5.9
139.02335	0.6
153.00337	33.6
155.01900	18.1
156.99844	0.7
165.09981	0.3
171.01387	100.0
173.01787	0.6
178.03494	0.5
193.10188	0.4
194.02989	2.8
212.44569	0.4
219.08632	3.3
221.10225	5.2
226.88469	0.4
237.07283	0.7
237.09724	17.4
260.11255	0.5
266.19843	1.4
285.17023	3.6
303.18045	42.1
326.34174	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.7
55.05513	4.1
57.15582	1.5
67.05510	31.7
69.03460	1.8
69.07082	14.3
71.04989	3.0
79.05491	11.9
80.73514	1.9
81.07054	34.6
83.04976	11.1
83.08636	2.8
85.06547	4.0
91.05473	24.9
93.07035	23.3
93.27278	2.0
95.04949	3.7
95.08601	10.5
99.04449	3.7
105.07027	32.2
107.07932	2.9
107.08591	43.5
109.06509	7.9
109.10155	89.0
113.05997	2.8
117.07021	2.9
119.08559	4.4
123.11738	12.9
123.12490	1.6
127.07536	3.8
131.08531	3.1
133.10123	100.0
135.11769	2.8
137.09644	2.0
145.10104	3.1
149.09595	2.0
151.11180	58.0
155.27303	1.8
159.11768	1.9
164.91335	1.7
169.12236	24.3
179.10728	2.4
197.11742	3.1
202.20338	1.7
215.12794	12.8
220.35405	2.0
263.19998	1.9
273.18439	9.1
291.19507	31.0
309.20654	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	326.305
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05516	3.0
57.07076	1.6
57.11695	1.2
61.36643	1.1
62.06091	100.0
66.47021	1.2
67.05495	2.3
69.07070	10.5
72.17123	1.2
80.68419	1.3
81.07052	5.0
83.08612	6.8
93.07018	2.3
95.08593	5.2
97.10186	3.2
107.08562	1.9
109.10097	1.6
112.33994	1.2
121.10126	1.4
135.11751	1.8
149.75443	1.4
173.75758	1.2
208.45844	1.3
244.34926	1.2
275.44769	1.3
308.29535	3.1
309.27756	5.8
326.27164	2.3
326.30533	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3053
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
53.02481	0.7
57.07078	11.3
66.72736	0.6
67.05508	0.9
69.07053	1.2
70.06581	4.5
71.08629	10.0
73.37293	0.7
81.07059	2.8
83.08606	0.9
85.10194	5.6
88.07632	100.0
95.08585	4.8
109.10157	1.6
147.87646	0.8
197.34904	0.7
295.11499	0.8
326.30508	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	2.7
57.39905	0.5
59.99426	0.5
63.83268	0.5
68.35210	0.5
69.07068	0.5
71.08619	3.0
74.21396	0.5
75.58720	0.5
88.07625	5.2
88.11269	1.3
102.09145	2.9
102.29506	0.6
104.36131	0.6
116.10742	0.8
121.79554	0.6
133.81895	0.7
134.28851	0.7
137.52875	0.6
149.92876	0.5
158.15314	0.8
212.24550	0.6
256.26318	32.2
326.34164	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	327.0864
Annotation	Cuneatin methyl ether
Peak:m/z	Relative Intensity
50.18352	0.2
50.60916	0.3
55.54918	0.3
65.78121	0.3
79.05499	0.5
81.07034	0.7
91.05486	0.3
92.17942	0.6
94.25793	0.3
95.08614	0.4
97.06525	0.4
98.61146	0.3
98.98448	1.6
105.03410	0.7
105.07026	0.5
107.08595	0.7
111.08063	0.4
119.08552	0.5
121.10132	0.6
131.08603	0.4
133.06528	0.3
145.06474	0.4
145.10054	0.3
147.08054	0.5
155.08554	0.6
157.10162	0.4
159.08049	0.6
163.07507	1.4
167.03400	0.7
169.10081	0.6
171.11684	1.7
181.10033	0.4
183.11665	0.8
195.11661	0.8
197.09738	0.4
197.13297	0.8
207.11572	0.4
209.05951	0.4
211.11127	1.3
221.13185	0.5
224.12000	0.4
225.12767	0.5
225.16158	0.3
239.10681	0.3
239.14267	1.3
239.17979	1.5
249.12607	0.4
249.16357	0.4
256.07269	4.3
260.24469	0.3
267.13745	0.7
267.17419	0.8
281.15341	0.4
284.06772	10.5
291.13855	0.4
298.08185	0.4
299.05505	7.6
299.16223	0.5
309.14703	0.7
312.06268	1.7
327.08609	100.0
327.15802	9.6
327.19473	4.1
327.23209	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	327.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82952	0.3
58.03993	0.3
74.44005	0.4
81.50014	0.4
89.05990	0.6
95.04917	0.4
95.08617	0.4
110.08452	0.4
120.06536	0.7
124.07587	6.3
134.04628	5.7
137.06012	0.6
139.07434	0.3
147.04330	0.5
156.07414	0.4
160.77377	0.4
165.02281	4.2
182.04950	100.0
182.21017	0.4
208.02878	98.5
327.04794	1.0
327.08691	28.7
327.14362	4.9
338.32434	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	327.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91403	0.2
55.52796	0.2
55.68538	0.2
65.03945	0.3
67.05527	0.2
71.59278	0.2
81.03416	0.4
91.05486	2.8
95.80618	0.2
109.02860	0.3
119.04934	13.7
124.03957	1.5
132.95804	0.3
147.04404	100.0
152.06985	0.2
154.08615	0.6
164.05249	0.3
166.69524	0.2
169.33400	0.3
208.09653	3.2
210.05794	1.3
218.06398	0.9
218.72694	0.3
223.02446	0.3
238.05302	67.6
240.06888	4.1
264.06851	1.6
281.09531	3.0
286.09396	0.4
294.94522	0.3
309.02618	0.5
327.10083	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1074
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
57.43127	0.2
81.03453	0.2
91.05486	3.0
104.85545	0.2
119.04939	10.6
147.04405	100.0
151.26781	0.2
159.64806	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	327.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80762	0.3
65.15128	0.3
67.91906	0.3
68.44830	0.4
70.59412	0.3
77.70270	0.3
91.05489	2.9
93.30553	0.3
99.09696	0.3
108.51945	0.3
115.38521	0.3
116.28358	0.4
119.04935	12.4
147.04399	100.0
191.94705	0.4
193.62421	0.3
213.46936	0.4
238.05371	0.7
257.98163	0.3
327.10312	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	327.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.7
56.31930	1.6
58.77056	1.7
64.76340	1.7
69.03412	2.4
69.07079	2.2
71.64001	1.8
79.05506	2.9
81.07025	2.8
91.05491	1.8
91.27342	1.8
93.07027	2.6
95.04936	9.0
95.08593	3.1
105.07001	7.8
107.04954	44.6
107.08589	2.8
109.06499	3.0
119.08546	3.0
121.06485	8.2
121.10108	2.3
123.04424	8.3
129.06960	2.1
131.04927	34.5
133.06467	4.7
135.04362	4.5
137.05946	12.5
143.08549	2.7
145.10133	2.3
147.04390	3.6
147.08047	2.8
149.05952	7.1
149.09624	2.5
159.04424	2.7
159.08026	3.7
166.51689	2.0
171.04306	2.4
171.07921	2.6
175.07483	7.0
177.05417	2.8
177.09117	2.5
179.06854	2.2
183.11684	4.2
187.07503	3.4
189.08865	1.9
193.10019	7.4
195.07993	2.4
195.11668	2.4
196.12354	2.0
197.09798	2.4
203.06975	2.6
203.08664	3.3
205.12007	2.0
207.06351	2.1
211.11110	7.3
212.12021	2.6
215.06960	7.2
219.08002	10.1
220.08698	2.7
221.09537	9.5
223.07605	2.4
223.11093	2.7
224.11848	2.7
231.07976	26.1
232.08833	2.5
234.06769	2.5
237.09085	8.9
237.12634	2.1
239.14221	3.3
247.07620	14.3
248.08264	10.1
248.11969	2.4
249.09071	10.8
253.15939	3.2
259.07568	19.5
260.08231	8.9
264.07599	3.4
265.08606	2.4
267.13751	3.3
269.11581	2.2
276.07663	8.3
277.08493	12.2
279.10068	11.3
281.15295	9.9
285.14804	2.8
291.07083	3.2
291.10144	64.6
291.13406	3.6
297.11087	16.4
299.16348	4.0
309.11157	33.2
309.14807	17.4
327.12244	13.2
327.15869	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	327.159
Annotation	Picealactone C
Peak:m/z	Relative Intensity
55.05511	1.8
62.45145	1.3
63.39946	1.2
64.71274	1.3
65.91788	1.4
67.05478	1.8
69.07058	1.5
71.50771	1.3
75.65502	1.5
78.58339	1.5
79.59079	1.4
81.07034	2.2
90.58703	2.0
91.05466	2.6
93.07023	2.6
95.08580	3.5
97.06527	3.2
99.89343	1.5
101.21677	1.5
105.07042	6.4
109.06492	3.0
113.06030	2.5
119.08566	7.1
120.75864	1.7
121.06470	2.4
123.04395	2.6
123.08066	2.0
125.05983	7.6
129.06993	2.4
131.08582	2.9
133.06493	2.7
133.10103	1.8
135.08105	1.7
137.06000	2.2
141.06935	5.4
143.08527	3.7
147.08035	2.4
151.07521	1.6
155.08659	1.7
157.06430	1.9
157.10109	2.9
159.08034	2.4
161.09660	1.7
163.07545	2.1
167.08542	2.8
169.10078	2.3
171.08096	2.1
173.09477	2.0
175.07555	2.4
181.10149	7.0
183.08087	1.6
185.09579	2.1
188.38762	1.7
193.10201	3.7
195.08052	2.7
195.11722	3.6
197.09677	2.2
199.11211	1.6
206.10880	3.5
207.11687	7.9
210.10335	2.4
211.11223	3.2
221.13210	7.4
223.11214	3.7
225.12778	2.6
239.14317	3.2
247.11140	9.0
249.12816	7.0
253.15955	2.1
263.14246	3.6
267.13763	6.3
291.13782	6.6
309.14880	12.9
327.15903	100.0
327.25357	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.38660	0.7
55.01859	0.8
55.90514	0.7
70.65567	0.9
72.53567	0.9
79.05494	0.7
81.03407	0.9
81.07056	1.2
83.05015	0.8
83.90282	0.8
89.08036	0.7
91.05482	1.8
92.17917	0.9
103.05474	8.4
105.07021	4.8
107.04980	2.8
109.06511	1.6
121.06497	7.7
122.03642	0.9
126.83518	0.9
131.04927	21.6
133.06487	31.3
135.08041	10.6
137.05981	100.0
143.04929	1.5
143.08485	0.9
145.06482	7.8
147.08069	3.6
149.05959	1.1
151.07536	10.7
157.06476	1.7
163.07533	49.4
171.08099	1.5
175.07545	4.7
177.09128	1.1
187.07518	1.4
189.09129	2.9
235.11203	1.3
249.08989	3.2
262.06296	0.9
263.10733	3.9
267.10095	1.0
277.08615	5.0
283.09613	1.1
295.13220	15.2
302.22629	0.8
309.11307	1.3
327.12268	3.7
327.15823	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Picealactone C
Peak:m/z	Relative Intensity
54.09195	0.5
55.01847	0.7
55.05518	1.0
57.03446	0.8
58.73160	0.6
59.69099	0.6
60.54961	0.7
61.85567	0.5
67.05492	1.2
67.49530	0.6
68.21893	0.6
69.03428	1.3
69.07050	0.8
79.05495	2.7
81.07050	2.5
91.05477	4.2
92.17764	0.8
93.07045	7.4
95.04960	1.7
95.08587	3.7
97.06465	0.8
105.07019	7.5
107.04962	1.2
107.08589	3.6
107.50936	0.7
109.06510	2.7
109.10123	0.8
111.08038	1.2
117.07012	1.3
119.04989	1.0
119.08551	3.8
120.05779	0.9
121.06455	4.9
121.10110	3.5
123.04416	1.5
123.08057	2.5
125.87517	0.7
129.06960	1.2
131.08553	4.0
133.06479	12.6
133.10144	5.5
135.08025	2.6
137.05922	0.8
137.09595	2.7
142.07747	0.7
143.08551	1.5
145.06438	1.5
145.10141	1.3
147.04408	3.2
147.08035	3.3
149.05957	5.0
149.09596	4.0
151.07578	0.7
155.08476	1.0
157.10124	2.6
159.08046	8.8
159.11719	0.9
161.05957	3.1
161.09596	4.8
163.07483	1.2
165.09126	0.8
167.08537	0.7
169.10149	3.7
171.07950	0.9
171.11565	0.8
173.09602	4.1
175.07539	1.3
175.11240	1.0
177.09119	3.9
181.06430	1.0
181.10086	1.4
183.07951	1.1
183.11684	3.2
185.09572	1.6
187.07483	1.0
187.11191	3.5
189.09044	1.0
193.10161	2.5
195.08014	1.4
195.11668	2.5
197.09601	3.5
197.13202	1.1
199.11209	3.3
201.09123	0.9
205.08578	1.1
205.10234	1.1
206.10878	0.9
207.11768	1.1
209.09570	1.5
209.13313	1.2
211.07527	0.7
211.11127	5.1
211.14789	1.1
213.09187	1.2
213.12740	1.1
215.10695	1.2
215.14314	0.8
219.11711	0.9
220.12434	2.8
221.13161	1.5
223.11169	4.2
224.11902	1.6
225.09103	3.1
225.12746	3.5
225.16368	1.1
227.10657	1.0
229.12132	1.4
233.09564	1.2
235.14835	3.6
237.12683	1.0
238.09636	0.7
238.13507	1.1
239.10672	1.3
239.14290	3.0
241.12213	0.9
245.13083	0.8
247.11076	0.9
248.11923	2.6
249.09175	0.7
249.12726	1.0
251.10678	0.8
253.12286	1.3
253.15862	4.4
255.13750	1.5
257.11807	0.8
263.14221	4.9
265.12198	2.5
266.13013	0.9
267.13791	3.4
269.11600	3.6
276.11514	0.8
281.15317	8.7
283.13385	3.0
285.14642	0.7
291.13733	2.7
299.16464	5.4
309.14847	12.1
327.15884	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	327.1589
Annotation	Picealactone C
Peak:m/z	Relative Intensity
59.04997	1.9
66.07320	0.8
66.36133	0.8
97.06496	1.0
107.08571	1.0
109.06474	1.3
123.08109	1.1
147.08044	2.0
163.03873	3.4
163.07544	2.1
165.09145	5.2
177.09062	1.0
181.06456	9.5
183.11678	1.0
189.05389	1.1
195.08073	1.9
197.09654	4.6
199.07481	1.9
205.08588	18.0
207.08145	1.1
209.05960	6.7
210.53275	0.9
211.11043	1.6
215.07068	2.0
215.10710	4.9
221.09666	4.6
221.13228	1.1
223.07515	1.3
223.11131	4.1
224.08423	1.2
225.09105	8.0
226.06316	1.4
227.06978	4.8
227.10800	1.1
231.10168	1.1
239.10608	5.7
241.08627	3.3
241.12395	1.2
242.09288	1.2
243.10097	8.2
245.11729	4.4
251.10793	1.2
255.10072	1.2
257.11667	14.2
263.14417	1.3
267.10242	3.5
267.13806	6.2
269.11786	6.0
281.15396	1.5
283.13312	1.2
284.14102	3.3
285.11279	3.3
285.14847	6.4
285.25293	0.9
299.16278	1.3
309.14951	6.5
327.15900	100.0
327.92804	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	327.1589
Annotation	Limbatenolide E
Peak:m/z	Relative Intensity
50.83096	0.9
67.05483	1.3
69.03416	1.8
79.05482	1.8
81.07040	2.2
91.05462	5.0
93.07039	5.8
95.04948	2.1
105.03397	19.3
105.07014	7.2
107.08549	4.5
109.06486	1.9
117.06956	1.5
119.08585	2.1
121.06496	7.7
121.10127	2.1
122.06007	6.2
131.08560	5.1
133.06479	4.7
133.10107	5.1
135.08022	1.9
143.08626	1.2
147.08051	5.6
149.06007	4.4
149.09573	1.6
157.10112	3.0
159.08011	5.7
161.09627	2.2
165.06941	1.3
168.09258	1.5
169.10114	5.2
171.07953	1.2
171.11678	3.1
173.09671	4.5
180.09383	1.6
181.10132	2.2
183.07941	1.4
183.11739	5.0
189.09236	2.4
193.10083	2.8
195.08069	1.5
195.11688	2.9
197.09665	4.5
199.11212	2.5
204.09201	1.5
206.10931	2.2
207.11700	2.8
209.09593	5.3
210.13879	1.6
211.11162	9.4
211.14816	2.4
220.12479	5.4
221.09680	1.2
221.13281	2.1
222.10263	2.0
223.11218	5.0
225.12665	3.0
235.14758	2.8
237.12755	2.6
238.13431	1.7
239.10594	2.4
239.14232	2.6
248.11951	5.0
249.12679	2.0
253.15866	9.7
263.14337	2.8
265.12213	1.8
267.13873	2.0
281.15472	9.8
283.13229	1.7
299.16412	2.2
309.14847	8.8
327.15897	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	327.159
Annotation	Picealactone C
Peak:m/z	Relative Intensity
67.05504	1.3
67.49940	1.2
69.03432	1.5
75.98214	1.4
77.28462	1.1
79.05482	1.7
81.07072	1.4
82.15144	1.1
91.05469	1.8
93.07027	7.4
95.08584	1.4
96.83669	1.5
105.03370	1.3
105.07017	5.6
107.08550	1.2
109.06479	1.6
117.07101	1.5
119.04928	1.6
119.08559	2.9
121.06480	5.1
121.10156	2.7
131.08490	5.6
133.10127	5.1
135.08020	1.7
143.08601	2.7
145.10091	1.6
147.08028	5.6
149.06003	4.4
149.09608	1.4
155.08565	1.8
157.10118	2.6
159.08057	5.4
161.05978	1.6
161.09579	5.4
169.10019	1.8
171.08037	2.6
171.11655	1.9
173.09621	1.9
175.11212	1.3
180.09311	2.3
181.10115	2.6
183.11729	3.0
185.09612	2.0
190.05107	1.2
193.10149	2.8
194.10931	1.4
197.09561	3.1
206.10974	1.8
209.09576	2.0
209.13264	1.7
211.07697	1.4
211.11179	6.8
211.14816	2.2
213.09062	1.4
213.12759	1.7
220.12442	1.8
221.13258	2.3
223.11182	2.2
225.12708	3.0
230.11017	2.3
235.14790	4.9
237.12805	2.3
239.10809	2.1
239.14259	6.4
245.13200	2.9
253.12228	2.4
253.15836	3.0
255.13864	2.2
263.14270	9.0
267.13831	4.4
281.15466	10.3
285.14734	1.6
291.13727	2.2
299.16479	5.7
309.14792	13.4
315.83817	1.2
327.15900	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	327.1589
Annotation	Picealactone C
Peak:m/z	Relative Intensity
55.05503	1.4
55.76297	1.6
62.12141	1.4
69.03416	3.2
73.06977	1.4
91.05473	3.0
93.07037	7.4
102.31864	1.7
105.07018	9.8
105.07704	1.6
107.08560	2.6
109.06497	2.6
119.08547	3.3
121.06485	2.8
121.10098	2.1
131.08524	1.9
133.06470	7.8
133.10133	6.9
135.08099	3.7
141.06905	1.6
143.08536	3.5
145.06422	1.7
147.08028	7.1
149.05948	3.5
149.09633	2.9
157.06502	1.7
159.08075	2.9
161.09613	7.0
169.10129	2.8
171.07997	5.9
171.11681	2.9
173.09625	2.3
175.07535	2.6
177.05463	1.6
180.09282	1.8
181.10188	2.9
183.11629	5.8
185.09589	2.6
187.07603	1.6
188.00075	2.2
193.10184	2.7
195.08122	1.6
195.11722	1.7
197.09567	2.2
199.11166	3.0
206.10870	2.3
207.11656	2.2
209.09537	1.9
211.11234	3.6
213.08937	2.6
220.12474	1.9
221.09625	2.0
223.11232	3.7
225.12679	6.7
227.10570	2.0
235.14854	1.9
237.12817	1.9
239.14236	3.2
241.12175	1.8
245.13206	2.3
248.12038	6.0
251.14333	2.2
253.15871	7.5
263.14301	3.7
267.13901	7.5
281.15268	14.3
285.14645	1.8
291.13770	3.5
299.16357	6.2
309.14880	13.8
327.15887	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	327.1591
Annotation	Picealactone C
Peak:m/z	Relative Intensity
51.37659	1.0
69.03406	2.4
81.07050	2.3
83.04984	1.7
86.37411	1.2
91.05491	2.6
93.07028	5.7
95.04942	2.5
105.03384	6.8
105.07020	2.2
107.08588	2.5
109.06520	1.7
116.13846	1.3
119.08526	2.6
121.06486	3.0
121.10124	3.1
122.06044	1.8
133.06496	6.1
133.10094	5.2
135.08081	1.4
143.08560	1.8
145.10112	2.2
147.07982	1.6
148.31294	1.4
149.05963	1.9
149.09644	6.0
155.08655	1.4
157.10094	2.0
159.08040	7.2
161.05959	1.2
161.09599	5.7
169.10100	2.3
171.08081	4.8
171.11681	2.1
173.09566	2.1
175.07561	2.1
183.11597	4.8
185.09596	2.3
187.11148	2.2
192.55699	1.4
193.10088	2.1
194.10838	1.3
195.11713	2.8
197.09615	2.1
201.09004	1.3
205.10159	2.0
206.10968	1.8
209.09601	1.8
209.13277	2.5
210.10371	1.5
211.11240	2.2
220.12416	1.6
221.13179	2.0
223.11197	3.0
225.12730	2.7
237.12791	2.4
239.10629	1.8
239.14307	2.7
241.12054	1.8
248.12006	3.0
249.12727	2.6
251.14494	1.3
253.15855	6.4
255.13858	2.1
263.14276	5.8
265.12234	1.9
267.13766	4.9
269.11649	1.5
281.15393	9.9
283.13254	1.8
284.06763	6.0
291.13879	2.0
299.16486	2.6
309.14825	14.1
327.08707	41.6
327.15909	100.0
327.23010	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	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.44019	0.9
91.05473	1.4
97.40410	1.2
103.05469	8.5
105.07009	5.2
107.04932	2.2
107.86431	1.1
109.06484	1.5
121.06481	6.6
123.08072	1.5
126.05503	1.3
131.04926	21.3
133.06473	38.7
135.08060	11.4
137.05966	100.0
145.06473	9.2
149.06012	1.7
151.07529	12.8
157.06476	2.7
163.07520	48.4
171.07976	1.5
175.07471	4.3
187.07587	1.9
245.09247	1.3
263.10532	2.4
295.13232	18.5
327.15851	29.2
327.19513	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	327.159
Annotation	Limbatenolide D
Peak:m/z	Relative Intensity
50.79656	3.0
55.35307	3.2
59.30173	3.1
71.72798	3.2
72.08144	14.7
81.07066	4.6
91.05492	4.0
93.07014	7.8
95.08655	4.6
98.11190	3.3
98.98457	15.1
101.12444	4.0
105.07000	4.9
107.08572	4.7
109.10190	5.7
111.08110	4.8
121.06454	4.5
121.10179	3.6
123.11686	3.8
131.08606	4.1
135.08055	3.9
136.71634	4.1
145.10138	5.9
149.09616	5.1
157.10202	3.5
159.08066	4.4
171.07980	4.4
199.11273	4.5
203.49686	3.5
223.11205	3.6
239.14333	6.8
257.11880	5.3
263.14124	4.5
267.13828	4.2
279.13922	3.4
281.15637	4.9
299.16489	4.0
309.14850	6.8
310.31119	5.4
327.08185	7.5
327.15894	100.0
327.33649	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
76.93353	0.5
80.47250	0.6
83.79713	0.5
91.05460	2.7
103.05470	9.7
105.07038	5.9
105.99271	0.6
107.04943	2.5
109.06517	1.1
114.12483	0.6
117.07002	0.7
119.04890	0.7
121.06500	6.9
122.03661	2.3
123.08041	1.1
131.04912	21.8
133.06491	37.7
135.08058	11.0
137.05977	100.0
143.04930	1.2
143.08490	0.6
145.06523	7.1
147.04489	1.0
147.08040	2.7
149.05997	1.4
151.07530	11.1
157.06480	1.4
162.06717	0.8
163.07530	53.2
165.09056	0.9
171.08025	1.3
175.07544	3.2
177.09128	0.9
189.09084	2.4
203.10643	1.0
235.11182	2.7
245.09677	0.8
263.10693	3.3
269.81693	0.6
283.17374	2.3
289.71249	0.7
295.13217	13.4
327.12387	1.5
327.15906	28.9
327.19736	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
57.42717	0.7
64.32745	0.8
68.10515	0.8
85.02929	1.0
91.05479	1.2
103.05483	8.5
105.07018	3.9
107.04964	1.6
109.06526	1.3
121.06518	4.8
121.55688	0.8
122.03652	2.0
131.04927	20.9
133.06483	36.9
135.08032	13.4
137.05972	100.0
143.04933	1.4
145.06479	9.0
147.08034	3.4
149.06039	3.1
149.07217	0.8
151.07545	13.3
157.06490	1.9
160.82916	0.8
163.07526	54.0
171.08060	1.1
175.07516	1.9
177.09048	1.0
180.43106	0.9
187.07555	1.0
189.09045	1.7
202.07979	1.0
235.11063	1.6
263.10629	1.8
277.08609	1.8
295.13278	18.5
327.12109	1.3
327.15903	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1953
Annotation	Benthaminin 1
Peak:m/z	Relative Intensity
51.25206	1.2
55.01890	1.4
55.05514	2.8
55.90621	1.0
57.03435	1.8
59.16760	1.2
60.25211	1.2
63.12302	1.2
67.05507	7.4
69.07056	7.5
69.89290	1.3
79.05496	3.3
79.78710	1.1
81.07038	11.1
91.05463	6.6
93.07043	9.1
95.04939	2.5
95.08585	8.2
97.06509	5.8
98.98473	2.3
105.07018	8.5
107.08573	3.0
107.48511	1.3
109.06495	2.4
109.10175	2.4
113.05994	6.0
117.07012	6.0
119.08574	8.7
121.06503	10.0
121.10122	6.0
127.57414	1.6
129.06975	5.4
131.04906	7.4
131.08568	8.2
133.06496	3.0
133.10143	7.6
135.04437	1.6
135.08034	10.2
135.11702	2.4
143.08540	5.7
145.06439	14.7
145.10112	9.5
147.08038	9.2
147.11681	3.3
151.03888	1.5
155.08582	14.9
156.09323	10.6
157.10146	9.8
159.08037	3.2
159.11678	8.8
161.88300	1.7
163.07530	43.0
167.08528	1.9
169.10112	11.4
171.08034	1.7
171.11665	24.2
173.06018	1.6
181.10159	6.0
182.10893	2.2
183.11678	19.4
185.13286	1.5
187.11163	1.6
187.23358	1.6
189.09166	2.3
192.09390	1.9
193.10071	2.7
195.11703	5.3
196.12419	2.7
197.09575	3.2
197.13222	12.3
199.11168	2.8
205.08632	2.4
207.11708	7.2
208.12386	1.8
209.13251	8.2
211.11198	8.0
211.14703	2.2
213.12810	1.6
213.16455	2.8
224.15567	2.8
225.12831	6.7
225.16147	1.6
229.12183	2.2
234.14111	1.8
237.12802	2.2
239.14261	8.4
239.17943	40.9
249.16367	11.0
253.15881	1.5
267.17429	32.4
281.15298	1.9
285.18250	9.8
327.15857	28.4
327.19580	100.0
327.25452	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	327.1953
Annotation	Benthaminin 1
Peak:m/z	Relative Intensity
54.09650	1.7
54.94065	2.0
55.05525	2.5
67.05479	2.4
81.07063	5.4
82.72920	2.1
84.52873	2.4
88.05140	2.1
91.57434	2.2
92.17855	3.8
95.08591	4.8
105.07025	5.3
107.08604	3.2
113.05986	9.9
117.06995	3.5
119.08542	4.0
121.06519	9.6
131.04944	5.3
133.06425	2.4
133.10143	3.5
135.08060	17.3
143.08536	5.1
145.06488	20.1
147.08058	9.6
147.11708	2.3
153.00360	5.1
155.08572	9.5
156.09329	10.1
157.10106	4.2
159.07994	2.4
159.11655	3.2
163.07538	60.3
169.10147	4.9
171.01384	12.4
171.11670	19.9
172.01387	4.4
183.11682	15.0
189.09061	2.9
193.10162	3.3
197.09651	2.6
197.13211	9.3
205.08563	3.1
207.11676	9.2
211.11188	3.0
225.12717	8.4
239.14259	9.7
239.17880	20.8
249.16289	5.5
267.17462	29.2
285.18481	9.1
286.17258	3.1
304.18286	19.9
327.19623	100.0
341.41974	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	327.1953
Annotation	Benthaminin 1
Peak:m/z	Relative Intensity
50.50741	1.4
53.51744	1.4
54.77212	1.4
64.01328	1.9
69.07047	2.1
70.58886	1.6
81.07063	3.4
91.05444	3.0
93.07014	3.2
93.33447	1.5
95.08548	2.8
97.06516	4.0
101.06438	1.6
104.92159	1.6
105.07002	7.9
105.65127	2.0
107.08569	8.0
108.94648	1.8
109.10085	1.9
113.05964	3.7
117.06973	4.1
119.08589	2.8
121.06503	6.6
121.10091	3.7
123.08072	2.3
129.06943	2.6
131.04921	4.1
131.08517	6.9
133.10072	2.5
135.04391	2.0
135.08034	11.9
143.08505	9.2
145.06503	21.4
145.10089	11.8
147.08006	8.7
155.08531	11.3
156.09290	9.8
157.03885	1.6
157.10094	9.3
159.11613	7.2
161.09619	2.3
163.07539	39.9
169.10078	10.4
171.11707	16.8
179.08423	2.1
181.10034	3.9
183.11681	22.6
185.09558	2.2
192.09258	2.0
193.10017	2.1
195.11696	8.4
197.09608	6.8
197.13217	16.7
206.11014	1.7
207.11652	3.4
209.13187	7.1
211.11105	4.0
211.14693	2.1
213.16345	3.5
223.14795	2.2
224.15558	3.9
225.12721	4.1
234.13983	3.1
237.16388	2.3
239.14189	9.7
239.17932	37.2
249.16364	9.2
252.14828	1.9
260.56985	2.0
267.17438	34.3
285.18472	14.1
285.34900	1.7
327.15790	16.4
327.19464	100.0
335.49564	1.7
344.08939	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	327.1954
Annotation	Benthaminin 1
Peak:m/z	Relative Intensity
55.05517	1.4
55.07399	1.3
61.51840	1.3
63.95343	1.3
67.05515	3.0
69.07055	3.2
71.80107	1.4
76.63642	1.5
79.05482	1.7
81.07032	8.8
83.08627	1.8
91.05453	3.7
93.07015	6.4
95.08591	2.6
97.06522	7.0
99.35024	1.4
105.07041	11.6
107.08570	7.4
113.05993	9.3
117.07008	6.6
119.08557	8.2
121.06476	10.1
121.10122	7.3
131.04922	8.9
131.08569	10.2
133.06503	1.8
133.10161	5.2
135.08092	14.8
135.11636	1.9
141.77739	1.4
143.08549	7.5
145.06483	27.3
145.10080	8.1
146.07190	1.5
147.04308	2.2
147.08020	11.3
147.11705	2.2
149.06017	1.6
149.09589	2.2
151.07512	2.3
155.08533	7.4
157.06531	1.8
157.10152	3.7
159.08063	2.3
159.11618	6.1
161.05852	2.1
161.09633	1.4
163.07542	80.1
169.10078	6.5
171.11653	5.5
181.10077	2.7
183.11729	18.9
189.09033	7.0
193.10121	2.7
195.11804	1.8
196.12630	1.9
197.09593	2.6
197.13280	12.7
199.11230	1.6
205.08533	5.6
207.11749	5.3
210.10370	1.9
210.13867	2.2
211.11169	7.0
223.14792	2.4
224.15654	7.8
225.12651	3.3
225.16527	1.7
231.77251	1.6
232.16353	1.5
239.14363	14.1
239.17932	23.2
249.16295	9.7
261.48740	1.5
267.17422	33.1
285.18481	11.0
327.12283	2.6
327.15912	11.9
327.19507	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	327.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11579	1.8
55.94353	1.4
58.21053	1.5
62.29178	1.9
87.04460	2.9
88.27962	1.6
89.06026	100.0
98.67941	1.9
98.86537	1.7
105.03426	3.3
114.61349	2.2
124.07597	3.1
133.08600	37.7
177.11217	12.0
182.04953	49.8
195.10199	2.3
208.02892	53.5
229.87947	1.8
239.14786	2.3
327.05139	2.1
327.08652	11.0
327.16299	2.9
327.20108	26.6
345.14734	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	327.2319
Annotation	Promegestone
Peak:m/z	Relative Intensity
54.12711	0.5
57.03414	0.7
57.07071	0.9
59.49286	0.7
67.05486	2.8
69.07058	2.6
72.50145	0.6
73.78901	0.8
79.05457	0.8
81.07048	5.8
83.04977	0.8
85.06498	1.0
90.98383	0.6
93.07009	3.4
94.49775	0.7
95.08598	6.3
97.06486	4.4
97.10149	0.7
98.98468	5.4
100.83341	0.6
105.03352	3.3
105.07005	1.4
106.32742	0.7
107.08565	1.6
108.87126	0.7
109.06496	3.3
109.10127	3.8
111.08088	8.2
117.06929	0.8
119.08555	1.6
120.03104	0.7
121.06491	2.6
121.10085	1.3
122.25072	0.7
123.08006	1.3
129.06960	0.8
131.08534	3.1
133.10091	3.5
135.07965	0.9
135.11678	0.7
143.08496	3.9
145.10101	1.7
147.08020	0.8
147.11624	1.0
155.08525	6.7
157.10149	6.0
159.08008	2.8
159.11594	0.7
163.07491	1.2
169.10052	3.1
169.87064	0.7
171.11679	5.1
173.09567	4.6
173.13264	1.5
175.11186	0.9
180.13852	0.7
181.10164	4.9
183.11664	7.3
185.13245	1.4
187.10989	0.8
191.14226	0.8
195.11740	5.5
197.09631	1.1
197.13202	3.1
199.11121	4.6
207.11644	1.5
209.13208	3.9
211.11108	0.8
211.14717	3.1
213.12698	1.4
214.13443	2.9
215.14217	1.0
217.46321	0.8
221.13228	1.5
223.14735	3.0
225.12679	1.3
225.16370	2.9
227.14220	3.2
228.15044	2.8
229.12195	1.6
235.14696	1.3
239.14252	1.4
239.17958	0.8
241.08324	0.8
241.11836	0.7
241.15779	3.7
249.16344	1.2
251.17934	2.5
253.08578	0.7
253.15544	0.9
265.19370	4.2
267.17407	1.0
268.18127	3.1
269.18958	3.2
285.14603	0.8
309.14865	1.2
309.18506	0.8
309.21802	0.9
327.15585	15.1
327.20044	4.2
327.23047	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05511	16.8
57.07069	3.5
57.88468	3.0
65.03922	4.5
67.05514	30.1
69.07059	22.0
72.08130	4.3
78.98379	3.2
79.05486	21.1
80.97984	4.5
81.07067	36.2
83.04974	4.0
87.89587	3.8
91.05496	30.5
92.17786	6.8
93.07035	93.7
95.04962	100.0
95.08609	73.5
97.06534	27.5
98.98473	6.2
105.07028	70.5
107.08585	52.5
109.06509	8.5
109.10136	32.4
117.07005	15.9
119.08584	75.1
121.06504	22.8
121.10130	34.2
123.08058	18.3
123.11681	9.2
129.06966	5.2
131.08502	38.0
133.06514	4.8
133.10120	61.0
135.08081	16.6
135.11690	15.6
142.07832	4.9
143.08534	28.4
144.09337	6.2
145.10147	58.8
147.11687	23.5
149.09671	5.1
152.06120	4.9
153.07079	6.1
157.10095	37.9
159.08018	6.0
159.11668	57.2
159.54759	4.8
161.09610	17.4
161.13292	5.7
163.14955	4.0
169.10106	19.3
170.10796	4.1
171.11700	25.0
173.13237	27.2
175.14818	18.1
183.11783	15.7
185.13237	16.7
187.11234	8.4
187.14806	16.5
194.10928	4.7
195.11670	6.0
196.12538	4.7
197.13269	15.4
199.14824	8.4
201.16420	4.0
209.13278	6.7
211.14735	4.0
213.16319	4.4
217.15848	4.7
225.16461	4.0
251.65860	4.6
297.18613	4.9
309.22125	17.3
327.07861	33.1
327.15955	8.2
327.23203	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.9
55.05522	7.0
57.03450	8.6
57.07079	8.1
58.38938	1.0
59.41809	0.8
64.00596	0.9
64.01619	1.0
65.03936	0.9
65.31306	0.9
67.05514	20.4
69.07069	18.1
70.94333	0.8
71.04986	1.0
71.08617	1.6
71.12399	0.9
73.02917	1.4
76.78335	0.9
79.05476	4.9
81.07062	38.2
83.04980	1.0
83.08636	9.9
85.06532	1.2
85.10204	1.1
91.05462	3.7
93.07024	5.2
95.04945	1.3
95.08604	45.3
97.06530	1.2
97.10169	2.4
98.98450	5.7
105.07034	3.6
107.08597	1.9
109.06490	1.7
109.10149	21.9
119.08564	3.9
121.10097	4.1
123.08057	2.0
123.11711	5.6
129.05440	1.2
133.06444	1.1
133.10170	3.8
135.11685	4.0
137.09598	1.4
137.13223	1.3
140.60283	1.1
147.04375	1.6
147.11694	2.0
175.03847	1.6
217.19492	1.3
235.09286	1.4
235.20552	6.7
309.24316	1.7
327.15930	14.2
327.25290	100.0
348.17685	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	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
55.05523	9.7
57.03433	6.8
57.07088	6.7
67.05177	1.3
67.05510	19.2
69.07071	16.1
71.04984	0.8
71.08608	3.5
73.02925	1.1
79.05490	3.5
81.03410	1.1
81.07060	35.6
83.08624	8.0
85.10201	1.0
91.05483	1.5
93.07034	5.2
95.08036	1.3
95.08610	29.7
97.10156	4.6
98.11652	0.7
98.98455	1.9
99.04442	1.3
105.07016	3.4
107.08572	4.5
109.06484	1.2
109.10152	17.3
111.08132	0.8
111.11697	1.2
119.08572	3.8
121.10120	3.2
123.11697	5.7
129.05489	0.9
133.06421	0.8
133.10167	3.3
137.13286	1.9
147.11659	1.0
159.11768	0.8
198.88817	0.9
211.11006	1.0
235.20602	7.1
309.24289	1.2
327.08517	1.8
327.15823	6.5
327.25299	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05501	7.1
57.03444	11.3
57.07082	8.6
66.76466	0.9
67.05174	1.1
67.05506	21.4
68.48746	1.0
69.07072	18.0
71.08612	4.0
73.02914	1.6
79.05481	5.5
81.07064	42.9
83.08624	11.1
91.05463	1.4
93.07030	5.6
95.08037	1.4
95.08608	37.4
97.10152	4.3
105.07011	1.4
107.08585	3.9
109.09571	1.3
109.10165	20.8
119.08552	2.0
121.10144	2.6
123.11698	6.9
129.05466	4.3
133.10118	2.5
147.11652	2.3
154.54849	1.0
214.44707	1.0
235.20586	6.1
309.24170	1.5
327.25278	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55149	2.1
55.01870	2.9
55.05519	18.1
57.03441	5.5
57.07067	15.9
67.05502	66.0
69.07074	35.1
71.04986	4.3
71.08642	5.9
74.19910	2.4
75.33461	2.3
77.07968	2.1
79.05495	20.4
81.07058	100.0
83.04954	3.0
83.08610	20.8
85.06535	2.7
91.05463	22.6
93.07048	34.9
95.08018	3.7
95.08603	88.3
95.88597	2.4
97.06538	9.6
97.10166	14.8
98.98452	11.8
99.08055	4.4
105.07017	15.1
107.08583	20.5
109.10164	40.7
111.08087	4.5
111.11707	3.9
119.08572	25.1
121.10136	31.5
123.08020	2.6
123.11668	19.7
126.08023	2.2
127.11163	4.4
129.05460	2.9
130.31403	1.9
133.10095	25.2
135.11693	29.3
137.09599	3.5
137.13246	12.1
147.11656	13.3
149.13220	5.1
151.14799	10.7
161.13246	18.3
169.10217	2.5
173.98476	2.8
175.14792	11.0
189.16302	3.4
217.19481	68.0
235.20560	59.6
299.12637	3.0
309.14551	3.3
309.24255	32.8
327.12390	4.0
327.15869	32.8
327.19528	13.4
327.25397	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1389
Annotation	Sesbanimide A
Peak:m/z	Relative Intensity
50.00394	1.0
53.87878	0.8
57.03437	1.2
58.01070	1.0
59.72636	0.9
69.03420	5.4
72.04497	1.3
72.55880	1.4
79.05487	5.9
79.92089	1.4
81.03414	2.1
84.63488	1.2
85.02895	6.1
87.03180	1.9
91.05485	4.1
96.04470	2.4
97.02891	23.3
103.05461	2.5
107.04952	87.5
109.02871	1.9
112.03999	1.9
114.05508	1.3
115.03915	2.3
120.08099	69.9
124.03940	2.8
126.05553	1.7
127.03925	10.3
129.06989	1.4
130.06500	1.8
131.04901	1.4
132.08075	18.5
143.05807	1.7
144.06570	16.2
144.08104	1.9
145.04948	2.3
147.04405	7.3
147.77263	1.1
148.04720	9.8
148.07680	1.3
149.05992	6.2
161.06827	4.9
162.07605	17.8
162.08954	1.8
166.08614	9.7
178.08675	4.4
180.08713	1.2
182.09479	1.2
198.09149	5.4
198.52469	1.2
237.36272	1.2
244.09605	1.7
246.11234	2.7
250.10745	1.5
260.89493	1.2
264.12262	13.9
268.05908	1.3
292.11734	14.9
310.12830	100.0
328.10364	1.7
328.13889	28.8
328.17438	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	328.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
57.03438	3.8
57.07066	1.1
61.02910	0.5
65.36673	0.5
66.33460	0.5
66.54769	0.5
69.03427	4.9
70.06580	0.9
71.04945	0.5
73.02909	0.5
78.26447	0.5
79.05495	0.9
81.03414	5.0
83.04978	0.5
85.02901	11.1
85.06532	9.3
91.03947	0.8
91.05453	1.0
95.04946	1.0
95.38945	0.5
97.02895	7.3
99.04449	2.1
103.05473	6.9
103.07574	62.7
106.06543	5.2
107.04948	8.3
109.02866	6.8
111.04459	0.6
112.05112	0.7
113.05978	2.4
120.08105	7.2
124.03934	0.8
126.68600	0.6
127.03919	5.1
131.04916	100.0
142.08627	1.1
142.25533	0.5
145.04953	3.4
147.22484	0.6
147.92751	0.5
148.07562	10.4
149.02354	2.4
149.05980	5.7
149.08067	9.5
166.04890	0.8
166.08578	4.8
166.10701	2.1
180.08607	2.0
187.06030	0.7
205.07016	1.7
275.09076	2.5
275.11523	1.2
282.11166	0.9
283.07416	1.0
283.17700	0.7
293.09772	5.7
293.12836	1.1
310.12640	0.9
328.10040	1.9
328.13779	17.6
328.19788	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	328.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25189	0.7
62.99836	0.7
74.30676	0.8
79.05516	1.3
91.05457	1.4
91.66758	1.0
103.05466	10.8
104.05804	5.1
105.07012	5.9
106.07355	1.9
107.04948	1.8
109.06506	1.1
110.06880	1.2
117.06998	0.8
119.04922	3.7
121.06483	5.7
122.03658	1.0
122.06821	5.0
131.04939	24.9
132.05260	16.3
133.06499	32.6
134.06824	28.6
135.08055	9.5
136.08365	8.7
137.05980	100.0
138.06314	68.4
143.04936	1.2
145.06499	6.0
146.06781	6.1
147.04385	3.4
147.08003	1.5
148.08350	1.3
149.05986	1.1
150.06367	1.1
151.07574	12.3
152.07892	9.6
157.06511	3.4
158.06787	2.0
163.07527	47.4
164.07878	44.6
171.07948	1.3
172.08319	1.6
175.07500	3.3
176.07893	3.9
188.07973	1.1
189.09048	1.1
190.09419	1.7
203.10579	1.0
204.11034	3.6
221.09077	0.9
224.36246	0.8
236.11525	4.1
246.09976	3.4
249.08949	1.2
264.10953	4.0
278.08820	1.1
295.13162	1.2
296.13605	25.9
328.12744	2.1
328.16229	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23796	0.7
53.61200	0.8
57.03443	1.4
59.05005	55.0
69.03426	1.6
70.06564	0.9
72.08146	4.1
73.06556	100.0
76.04185	0.9
79.43169	0.8
85.02906	9.4
86.09693	6.0
97.02865	2.3
107.04934	1.9
109.02850	1.3
116.07075	5.7
117.09133	12.9
117.16633	0.9
124.03947	3.3
124.07620	1.3
129.09085	1.3
131.10634	7.4
136.82458	0.8
138.09114	5.2
149.11728	69.6
151.02516	0.9
166.08618	14.3
264.11353	1.1
270.40237	0.9
310.66522	1.1
328.13138	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72167	2.4
54.25359	2.6
55.05517	26.8
67.05498	16.6
69.03428	6.2
69.07076	5.6
79.05519	23.9
81.07044	18.3
83.04967	4.1
83.08625	36.4
91.05494	3.9
93.07047	7.3
95.08591	6.4
97.10172	95.8
102.72918	3.0
105.07034	15.0
107.08599	91.4
109.10189	3.1
119.08594	13.8
125.09621	100.0
133.10201	5.5
135.08034	12.2
147.11676	4.7
160.48575	3.3
171.10173	13.9
181.42885	2.8
183.11505	3.5
189.11200	84.4
239.18045	3.4
249.87428	3.0
257.19034	6.0
275.20081	88.3
293.21088	22.0
301.75668	3.2
310.15109	6.3
328.16165	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33824	6.0
52.20629	5.3
55.05503	37.0
57.03442	10.5
60.61330	5.7
67.05508	79.5
69.07058	33.8
73.81287	5.9
76.55599	7.1
79.05492	69.4
81.03448	6.7
81.07056	77.5
83.04971	14.1
83.08620	9.9
91.05471	52.0
93.07037	100.0
95.04980	10.5
95.08608	47.4
97.10172	15.4
105.07031	34.8
107.08596	39.1
109.06544	9.5
109.10163	34.9
117.07026	8.5
119.08594	42.8
121.10155	47.2
131.08566	12.0
133.10101	41.9
135.11708	28.0
137.09650	7.9
145.10155	15.3
147.11649	11.7
151.26811	6.7
159.11702	9.1
173.11758	9.5
173.13156	10.1
181.12225	8.3
190.96666	7.0
235.16852	15.9
275.20135	54.7
293.21057	11.7
306.74649	7.1
328.16296	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65260	15.9
62.44959	16.8
67.05497	32.6
69.07063	25.6
71.04952	13.0
78.86323	14.3
79.05486	15.4
79.11122	15.7
81.07046	99.3
85.06519	16.5
88.05025	16.6
91.05470	26.2
92.05342	15.6
93.07047	34.0
95.08593	32.7
98.98479	16.6
105.07040	21.0
107.08609	28.5
119.08566	23.4
121.10169	21.7
133.10155	20.3
135.11670	35.1
205.83206	14.9
275.19968	28.6
293.20905	21.9
304.18045	16.6
310.15302	24.2
328.16232	100.0
336.94769	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	3-Hydroxy-3',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.48838	0.2
54.84064	0.2
55.19785	0.2
57.05677	0.2
57.09839	0.2
61.00497	0.2
63.71037	0.2
65.97382	0.2
69.30248	0.2
105.03370	0.5
139.94289	0.2
167.03439	0.4
180.59538	0.2
226.88300	0.3
250.43398	0.2
268.07275	0.5
285.07526	1.3
285.99985	0.3
286.08215	0.2
313.07019	18.1
314.07751	4.1
329.10153	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	329.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97842	0.8
68.97251	1.0
69.16472	0.9
81.90121	0.8
107.04988	1.1
116.44071	0.9
120.08186	1.2
123.04393	1.5
147.05827	1.5
165.06950	5.4
167.06773	6.1
200.84763	0.9
203.05251	2.0
247.70921	1.1
252.57779	0.9
329.12061	100.0
329.15475	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	329.138
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
51.28102	1.4
54.72266	1.3
91.05444	2.3
92.17944	2.2
93.07043	2.9
95.04955	3.7
102.04712	1.8
103.05462	51.1
103.10275	1.7
105.07027	6.5
107.04955	9.5
107.08569	6.4
109.06546	2.2
111.04358	1.5
121.06465	2.7
121.10101	2.7
123.04429	7.5
130.04124	3.5
131.04921	100.0
133.06459	6.2
137.05968	39.5
147.04393	7.2
149.05960	9.6
151.07516	7.2
157.06502	2.6
159.08037	3.5
161.05948	32.0
162.06752	21.9
163.07504	33.7
169.06462	2.4
177.05438	2.9
179.07031	3.0
187.07550	16.9
195.08008	2.4
203.08476	1.9
205.08537	3.4
207.08107	2.3
209.09587	2.0
210.06824	1.8
221.09648	6.4
223.07521	6.4
223.11018	2.2
233.09575	7.0
235.07553	3.0
235.49979	1.7
237.09006	2.1
249.09117	8.0
250.06087	2.3
251.06924	15.0
251.10750	2.1
252.07539	1.7
253.08597	6.9
255.10295	3.4
256.58209	1.7
261.09067	7.5
267.10107	13.5
268.07370	1.9
269.11777	6.2
270.08942	6.3
270.17514	1.5
279.10144	8.1
281.11789	7.8
283.09653	23.2
285.11182	15.5
296.10349	1.9
297.11249	18.3
299.12866	15.9
311.12744	32.0
311.16287	2.6
329.13852	32.2
329.17075	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	329.138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28102	1.4
54.72266	1.3
91.05444	2.3
92.17944	2.2
93.07043	2.9
95.04955	3.7
102.04712	1.8
103.05462	51.1
103.10275	1.7
105.07027	6.5
107.04955	9.5
107.08569	6.4
109.06546	2.2
111.04358	1.5
121.06465	2.7
121.10101	2.7
123.04429	7.5
130.04124	3.5
131.04921	100.0
133.06459	6.2
137.05968	39.5
147.04393	7.2
149.05960	9.6
151.07516	7.2
157.06502	2.6
159.08037	3.5
161.05948	32.0
162.06752	21.9
163.07504	33.7
169.06462	2.4
177.05438	2.9
179.07031	3.0
187.07550	16.9
195.08008	2.4
203.08476	1.9
205.08537	3.4
207.08107	2.3
209.09587	2.0
210.06824	1.8
221.09648	6.4
223.07521	6.4
223.11018	2.2
233.09575	7.0
235.07553	3.0
235.49979	1.7
237.09006	2.1
249.09117	8.0
250.06087	2.3
251.06924	15.0
251.10750	2.1
252.07539	1.7
253.08597	6.9
255.10295	3.4
256.58209	1.7
261.09067	7.5
267.10107	13.5
268.07370	1.9
269.11777	6.2
270.08942	6.3
270.17514	1.5
279.10144	8.1
281.11789	7.8
283.09653	23.2
285.11182	15.5
296.10349	1.9
297.11249	18.3
299.12866	15.9
311.12744	32.0
311.16287	2.6
329.13852	32.2
329.17075	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	329.1382
Annotation	4'beta-Hydroxyeriobrucinol
Peak:m/z	Relative Intensity
59.05006	0.6
67.05495	1.4
71.04997	1.4
92.17867	1.2
95.04951	3.0
95.08590	1.2
105.07027	1.2
113.06004	2.9
119.08613	0.7
131.08487	1.1
135.08058	2.7
143.08568	1.2
145.06485	0.9
145.10092	1.0
147.08122	0.7
157.10115	1.2
159.08054	12.3
161.09555	0.8
165.09024	0.7
169.10196	0.8
171.08066	1.0
172.05180	0.9
173.05965	4.4
173.09676	1.1
173.13290	1.2
175.07649	0.7
179.07059	1.5
181.10187	1.2
183.08109	1.3
185.09631	2.8
187.07536	12.4
188.08379	2.2
189.09052	5.0
195.08018	2.6
195.11748	0.6
197.09583	3.0
197.13216	3.5
198.10440	1.4
199.07602	1.6
199.11192	12.6
201.09119	2.7
201.27484	0.7
207.09993	0.8
207.11725	4.4
209.09605	0.8
209.13184	1.0
210.10358	13.7
213.09038	0.8
213.12747	11.7
214.04208	0.8
215.07018	33.2
223.11209	3.7
225.09238	1.4
225.12708	10.0
226.09888	8.1
227.07059	2.5
227.10692	6.5
227.14325	3.1
233.08052	17.3
237.12660	1.2
240.11557	2.4
241.08620	6.7
241.12218	52.3
241.15909	1.4
251.10660	0.9
253.08589	1.6
255.13719	9.3
265.12213	3.6
269.11667	18.4
269.14587	1.0
281.08011	2.8
283.13272	23.7
283.16510	1.3
293.15253	1.1
299.09259	1.1
311.12762	3.3
311.16452	3.9
311.19919	1.1
314.11502	3.1
329.13837	100.0
329.17371	12.4
329.21191	4.7
329.26852	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	329.1384
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
50.50435	0.6
79.05508	0.9
82.13020	0.6
91.05502	0.9
93.07038	0.9
95.04990	0.6
95.08537	0.6
102.28465	0.7
103.05463	1.6
105.07019	4.0
106.04176	4.4
109.06552	0.9
115.05408	0.6
118.39862	0.7
119.08596	1.0
121.06480	8.1
121.10156	0.9
123.08042	0.8
130.04160	1.3
131.04893	1.5
133.06493	2.9
134.07236	0.8
135.04425	0.8
135.07970	0.9
137.05998	6.0
145.06490	1.4
147.04384	1.4
147.07971	1.1
149.05986	10.0
149.09642	1.0
153.05447	0.8
157.10069	0.8
161.05971	3.3
161.09560	0.8
162.06763	4.5
163.07451	0.7
177.05501	10.6
177.09074	9.2
181.09975	0.7
185.13184	0.8
197.13187	0.8
208.08868	1.3
209.09727	1.2
223.11192	3.7
233.09567	1.0
237.09108	0.8
241.12022	1.0
250.09927	1.1
251.06990	0.7
251.10664	2.9
253.08641	1.4
255.13739	1.2
263.07352	0.7
264.07687	2.3
265.08594	5.2
265.15915	0.9
266.09317	0.8
267.09976	1.2
268.07355	1.3
269.08020	1.2
270.08813	1.1
278.09442	1.0
279.10083	5.5
280.10956	4.5
281.08084	10.8
283.16953	1.2
295.09589	13.8
296.06970	1.1
296.10397	36.5
311.12766	100.0
311.15970	3.8
329.06552	2.7
329.09894	1.1
329.10803	1.0
329.13809	25.9
329.17520	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	329.157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17518	0.6
85.61105	0.6
89.71899	0.7
128.45137	0.8
136.73981	0.7
137.05983	3.9
148.52565	0.9
161.05972	0.9
213.09103	2.9
231.10237	1.4
251.07016	1.2
287.48669	0.8
297.11084	1.3
311.12814	0.9
311.16266	1.3
329.15677	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	329.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64065	1.0
71.31896	1.0
81.62418	1.0
125.78372	1.2
144.54503	1.2
158.79036	0.9
162.06696	1.4
201.03688	1.9
207.02776	1.2
218.06813	1.2
219.07999	1.8
247.07718	1.3
279.10068	2.6
329.15741	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	329.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90174	0.9
54.06525	0.8
60.41188	0.8
62.42144	0.9
66.34999	0.8
92.17857	1.9
121.10160	1.2
137.05891	1.0
143.08470	0.9
201.03650	4.6
208.30458	0.9
218.46159	1.0
238.16640	1.0
288.11215	1.2
329.15637	100.0
352.48978	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	329.1585
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
51.71850	0.7
54.59396	0.9
55.05502	1.9
57.77373	0.8
61.02911	1.2
67.05494	1.5
69.03422	1.8
71.04983	1.4
81.03403	1.4
81.07019	2.0
85.02888	9.7
91.05457	5.3
93.07001	2.1
93.74586	1.1
95.08588	1.3
97.02870	2.3
97.06526	2.3
97.62274	1.0
104.15083	1.0
107.04954	100.0
107.08593	2.0
113.87635	1.3
119.04899	6.4
120.08077	5.3
121.06487	1.4
121.10091	4.3
121.52683	1.1
123.04408	1.9
127.03883	1.3
131.04918	1.8
131.08536	1.5
133.10106	1.8
136.07574	60.2
137.05910	2.5
145.10106	1.2
147.04387	2.4
149.05911	2.1
149.09619	17.8
151.07550	1.0
167.10634	1.3
173.05920	6.1
177.05429	1.4
187.07567	1.2
189.04218	1.1
233.07928	1.4
270.02335	1.4
329.11700	1.9
329.15631	57.6
337.29257	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	329.1747
Annotation	Lophodione
Peak:m/z	Relative Intensity
55.05513	1.8
57.41142	1.4
58.86724	1.3
61.12270	1.4
64.17046	1.4
69.07037	1.8
79.05491	2.1
81.03407	1.7
91.05473	7.2
91.46199	1.5
93.07047	16.3
95.08596	6.6
105.07011	9.9
107.08609	6.7
109.06499	3.2
119.04948	1.9
119.08565	3.3
121.06493	9.9
121.10081	6.3
123.08080	1.8
133.06476	6.2
133.10161	19.9
135.08066	3.7
135.11722	2.4
137.05994	3.2
143.08563	3.9
145.06505	2.4
145.10114	7.3
147.08081	2.8
147.11726	1.8
149.05963	6.5
157.10100	6.5
161.09607	10.8
163.07550	1.8
163.11145	3.2
168.03389	1.7
169.10110	2.8
171.08054	2.1
171.11673	9.0
173.09550	2.3
175.11055	1.9
179.08516	2.0
181.10062	3.0
183.11743	3.0
185.09618	3.5
185.13234	2.5
187.11171	2.8
189.12740	10.2
191.10632	2.4
193.10220	2.4
195.11690	10.0
197.09679	2.9
197.13420	1.8
199.11183	12.5
201.12747	3.5
209.13274	2.0
211.11136	2.6
215.14270	6.7
223.11246	2.7
223.14755	2.6
225.12656	3.5
227.10703	2.2
232.12505	3.0
237.16426	2.4
239.14339	2.8
241.12065	3.1
241.15804	2.3
247.14680	2.1
250.13469	2.8
255.17450	3.2
265.15842	6.6
267.13715	2.4
269.11801	2.7
283.16986	14.0
293.15366	6.7
301.17935	6.5
311.16379	17.7
329.17471	100.0
329.21002	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	329.1745
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
54.49044	1.2
70.09807	1.4
79.05475	1.7
81.07039	1.9
90.90801	1.5
91.05470	1.5
95.04911	1.6
95.08576	5.9
100.51616	1.5
104.72408	1.5
105.07020	7.5
107.08588	3.4
109.06492	8.6
119.08547	1.9
119.88119	1.4
121.06479	1.5
121.10137	2.2
123.08044	3.1
131.08513	3.7
133.06464	7.0
135.08034	1.8
137.05963	1.8
143.08516	2.1
145.10094	2.4
147.08020	2.7
155.08528	2.7
157.10085	3.0
159.08038	3.4
161.05910	1.7
161.09592	3.0
169.10168	1.8
171.11668	3.5
181.10103	1.9
187.11113	2.3
189.12686	2.1
195.11676	6.2
196.12401	1.7
199.07474	2.3
199.11131	7.4
211.11168	2.9
213.12677	5.8
215.14381	2.2
223.11069	2.6
223.14574	2.0
227.10634	3.0
237.16380	2.3
239.14284	1.9
241.11913	2.0
243.10193	1.9
245.11740	1.8
247.14857	2.4
255.10081	1.7
255.17429	1.9
265.15866	3.7
269.15207	2.4
283.16910	6.2
285.14740	1.6
287.12744	2.7
287.16306	3.7
293.15237	2.7
301.17941	3.3
311.16306	14.1
329.13596	4.0
329.17419	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	329.1746
Annotation	Lophodione
Peak:m/z	Relative Intensity
51.02565	1.1
55.05503	1.1
61.27925	1.1
64.62479	1.1
65.24007	1.0
69.03422	2.4
69.07049	4.9
72.44184	1.2
81.03407	1.5
81.07043	2.9
83.04961	5.7
87.10981	1.0
91.05457	2.6
93.07005	5.8
95.04952	1.7
95.08591	2.5
97.06502	5.9
105.07046	9.3
107.08578	5.0
109.06518	5.2
109.10137	1.7
111.08079	1.4
119.08530	1.6
121.06487	4.1
121.10122	4.7
123.08043	7.7
131.08546	6.3
131.20338	1.3
133.06509	2.0
133.10100	2.5
135.08000	2.7
143.08559	6.2
145.06502	2.4
145.10118	4.8
147.08000	2.4
149.09595	7.8
155.08516	2.0
156.09343	1.6
157.10120	6.2
159.08049	2.6
159.11633	2.5
161.06126	1.3
161.09605	4.8
163.07477	1.7
165.09132	1.3
167.08496	1.4
169.10107	1.8
171.08005	2.1
171.11652	5.6
173.09616	1.9
175.07440	1.9
175.11165	5.4
177.09129	2.0
179.10669	1.4
181.10100	5.7
183.11690	4.9
185.09566	5.1
185.13234	4.5
187.07506	1.6
187.11183	5.2
189.09077	2.0
189.12804	1.2
193.10068	2.7
195.11688	6.4
197.09592	4.4
197.13231	5.5
199.11177	7.1
201.09148	1.7
201.12756	1.6
203.10605	2.1
207.11719	1.5
209.09544	4.6
209.13245	1.9
211.11156	5.0
213.09256	1.6
213.12762	7.7
215.10663	2.1
215.14359	1.2
221.13202	2.1
223.11102	4.5
223.14758	2.3
225.09131	1.3
225.12793	6.1
227.10684	2.3
227.14331	1.6
235.11241	1.5
237.12724	4.3
237.16417	2.7
239.14352	1.6
241.12260	1.9
241.15923	2.5
247.14728	2.0
250.13507	1.9
251.10530	1.4
255.17424	1.8
265.15836	6.5
269.15326	5.8
270.60181	1.4
283.16937	8.7
285.14853	1.7
287.16248	1.8
293.15262	5.8
301.17862	6.8
311.16388	18.1
329.17444	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	329.1746
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
55.49265	1.0
65.13904	1.1
69.54554	1.0
83.04971	4.6
123.70981	1.0
131.82800	1.0
161.05942	9.3
188.08377	1.9
189.09171	1.4
201.05545	1.6
203.07016	0.9
203.10667	38.8
217.08611	1.9
223.11110	2.1
231.10222	1.5
241.12263	2.1
243.10156	6.6
245.11757	1.5
251.10588	1.8
268.10989	1.4
287.12793	24.1
296.13953	1.3
311.16284	1.7
329.17468	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	329.1746
Annotation	Lophodione
Peak:m/z	Relative Intensity
50.03188	1.0
58.74883	0.9
65.46098	1.0
83.04974	2.1
91.05447	1.5
93.07034	9.1
95.04960	1.7
95.08569	2.9
97.06509	1.1
102.53098	1.1
105.07026	7.1
107.08597	4.8
109.06501	2.3
112.20363	1.3
119.08561	2.3
121.06492	6.6
121.10111	2.3
123.08029	1.3
129.07021	1.5
131.08588	1.2
133.06473	2.3
133.10120	8.6
135.08038	2.1
137.05965	1.4
143.08539	5.6
145.10114	5.2
147.08011	2.0
149.06026	1.8
149.09535	1.6
155.08516	2.0
156.09245	1.3
157.10120	4.9
159.08054	1.7
161.09637	12.2
167.08527	2.0
169.10110	4.4
171.11658	2.2
173.09621	5.0
175.11209	1.7
177.09035	1.2
179.08464	1.5
180.09380	1.3
181.10130	7.2
183.11688	2.7
185.09631	2.8
185.13257	1.7
187.45441	1.2
189.12740	6.6
193.10063	1.8
195.11697	5.2
199.11185	6.5
201.09206	1.3
201.12877	1.6
203.10713	2.5
207.11678	4.9
208.12552	1.1
209.09644	2.8
209.13206	1.9
211.11154	2.8
213.09004	1.6
213.12711	2.2
215.10463	2.0
215.14372	2.0
218.13087	1.5
221.13300	1.9
222.14090	1.2
223.11087	1.8
223.14842	1.5
224.18095	1.2
225.09128	1.4
225.12720	2.7
227.10672	5.8
231.10251	1.4
237.16360	1.8
241.12175	2.0
241.15868	2.0
247.14822	2.0
249.12814	2.0
251.14302	2.6
253.12236	1.7
255.09885	1.3
255.17297	1.8
265.15881	9.1
269.11755	2.1
269.15311	2.1
271.13431	1.7
275.14310	2.4
283.16794	8.2
285.15002	2.2
293.15363	5.4
301.18066	1.8
311.16397	16.6
329.17438	100.0
329.21414	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	329.1747
Annotation	CHEBI:70701
Peak:m/z	Relative Intensity
55.05513	2.1
67.05493	2.4
81.07034	4.4
83.04964	2.1
91.05503	2.9
93.07026	10.3
95.04958	2.9
95.08606	8.5
98.11013	1.6
105.03403	7.5
105.07035	15.7
107.08586	9.4
109.06509	11.2
109.10151	3.9
110.22115	2.0
110.50983	2.0
119.04974	2.2
119.08572	10.2
121.06507	8.8
121.10136	8.8
123.08093	7.0
131.08519	9.5
133.06509	9.3
133.10132	10.6
135.04402	1.9
135.08083	2.8
135.11697	2.1
135.20616	1.7
137.05983	10.5
137.09575	2.5
143.08553	10.3
145.10085	10.9
147.08032	7.3
147.11697	3.1
149.09581	4.1
155.08549	4.3
157.10149	7.7
159.08038	4.1
159.11694	12.1
161.09584	8.0
163.07533	2.9
163.11142	3.5
169.10118	3.0
171.08044	3.0
171.11711	8.2
173.09627	9.2
173.13222	16.1
175.07439	2.1
175.11124	2.1
177.09073	1.7
179.07071	3.0
181.10155	3.7
183.08162	2.1
183.11664	7.0
185.09628	7.6
185.13293	4.4
187.11169	9.1
189.09048	3.6
189.12695	2.9
191.10477	2.4
192.09332	9.5
195.11653	7.4
197.09613	3.8
199.11147	7.9
201.12743	4.0
207.11696	15.1
209.13293	7.2
211.11208	4.1
211.14774	2.5
213.12749	9.7
215.10617	2.6
215.14249	2.5
223.11166	2.9
223.14854	7.2
225.12758	4.2
225.16309	2.6
227.10565	3.6
237.12790	3.2
237.16380	3.7
238.33060	2.1
239.01573	1.8
239.14229	2.5
241.12141	3.0
251.14449	2.5
253.15837	3.0
255.17363	3.7
263.14322	2.1
265.15909	3.5
265.19400	2.7
269.15308	2.2
283.16888	7.1
283.20438	2.9
293.15408	7.4
293.19028	4.1
301.17975	3.2
311.16348	17.6
311.20078	21.2
329.06503	2.4
329.14401	4.1
329.17416	98.9
329.21136	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	329.2112
Annotation	Longithorol C
Peak:m/z	Relative Intensity
50.85676	0.4
50.94190	0.4
51.94014	0.4
55.05517	0.7
61.58882	0.5
63.99079	0.5
67.05496	0.7
68.25672	0.4
68.30325	0.5
79.05483	0.7
81.07052	2.8
91.05487	0.9
93.07027	3.3
95.08572	1.9
95.62321	0.5
103.76323	0.5
105.07022	3.5
107.04958	0.9
107.08578	3.9
109.06492	1.2
109.10165	0.5
117.06995	1.0
119.04940	0.7
119.08587	3.7
121.06455	2.0
121.10103	3.4
131.08540	3.1
133.10133	3.5
135.08026	0.9
135.11679	2.1
137.05994	3.5
141.47084	0.5
143.08572	1.1
145.10104	4.5
147.08023	2.1
147.11696	1.1
149.19102	0.6
151.11317	0.7
155.08504	0.7
157.10106	2.6
159.08066	2.2
159.11664	3.4
161.05962	0.5
161.09583	2.5
161.13182	0.7
169.10089	0.9
169.89983	0.4
171.08031	2.6
171.11655	2.2
173.09621	5.3
173.13239	10.2
175.11177	0.6
181.10115	1.1
183.11661	1.0
185.09613	0.9
185.13274	0.9
186.82887	0.5
187.11165	4.4
189.09067	1.1
191.10602	0.8
193.10173	0.5
195.11656	2.3
196.22014	0.6
199.11171	0.6
201.12766	2.8
207.11769	0.6
209.13289	1.0
210.78311	0.6
211.11171	0.9
213.12704	0.8
215.14265	0.9
221.13211	0.7
223.11243	0.7
223.14806	1.9
225.12650	0.7
225.16296	1.1
237.16333	1.2
239.14325	1.0
239.96465	0.6
241.12218	0.6
241.15874	0.8
251.07013	0.6
253.15857	1.2
262.80685	0.5
264.15088	0.8
265.16248	0.4
265.19525	2.5
267.17542	0.6
269.19177	0.5
275.17801	0.9
283.17035	1.9
283.20450	1.1
293.18985	5.8
300.17169	0.9
301.17871	3.4
311.16525	1.0
311.20056	18.0
314.18777	0.6
329.06525	1.0
329.17773	3.8
329.21085	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	329.211
Annotation	Longithorol C
Peak:m/z	Relative Intensity
54.84407	0.7
55.05506	0.8
69.07092	0.7
73.09403	0.7
75.81217	0.9
79.05493	1.0
81.07050	3.6
91.05475	2.5
93.07023	6.1
95.04955	1.1
95.08593	1.8
105.07077	5.0
107.08572	4.0
109.06499	3.2
109.10139	2.9
117.06986	0.7
119.08614	7.0
121.06477	3.2
121.10121	3.8
123.08034	1.1
125.09602	1.1
131.08586	6.7
133.06404	0.7
133.10123	5.1
135.08043	1.6
135.11642	1.2
137.05991	1.0
139.07581	0.9
143.08540	3.0
145.10138	7.8
147.08011	3.2
147.11716	1.3
151.11075	0.8
153.32919	0.8
155.08502	1.2
157.10100	4.0
159.08060	2.7
159.11667	5.5
161.09586	3.2
161.13228	1.2
167.97537	0.8
169.10086	1.7
170.76416	0.7
171.08046	2.9
171.11693	4.8
173.09630	6.1
173.13231	17.7
175.11232	0.8
177.09090	1.0
183.11656	1.8
185.09595	0.9
185.13342	2.9
185.72655	0.7
187.11147	6.0
189.09120	1.3
191.10611	1.7
193.10103	0.8
195.11703	3.2
197.13322	0.9
198.10432	0.9
199.11182	3.5
201.12737	4.1
203.14314	0.8
209.13257	3.2
211.11203	1.4
213.12759	1.5
223.11159	2.6
223.14824	3.1
225.12737	1.0
225.16429	1.1
227.14345	0.9
237.12817	1.2
237.16330	3.7
239.14311	1.4
241.15776	1.1
251.14253	1.5
251.17982	1.1
253.15791	2.9
255.17505	1.3
264.15121	1.0
265.15833	1.1
265.19473	3.5
267.17511	0.8
275.79648	0.9
283.17001	0.9
283.20483	1.5
293.18942	7.5
296.17737	1.2
300.17264	3.1
301.18030	1.4
311.16489	3.8
311.20007	19.7
329.17532	10.1
329.21072	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	329.2109
Annotation	Longithorol C
Peak:m/z	Relative Intensity
50.16321	0.5
55.05475	0.6
59.28096	0.6
59.74476	0.5
79.05473	1.5
81.07043	2.9
83.29675	0.7
91.05449	1.5
93.07014	3.2
95.08572	1.6
105.06997	2.5
107.08565	3.7
109.06509	2.5
109.10139	1.6
111.08089	1.0
117.06992	1.1
119.08564	4.9
121.06477	1.4
121.10114	3.6
122.07043	0.7
123.04456	0.8
123.11678	0.8
131.08527	4.3
133.10078	4.2
135.08032	1.5
135.11629	1.5
141.06976	0.8
143.08577	1.4
145.06592	0.7
145.10072	3.3
147.08015	3.7
147.11621	1.5
149.09612	1.0
157.10097	1.4
159.08028	2.5
159.11696	6.3
161.09578	1.4
161.13214	1.0
169.10098	1.3
171.08025	0.8
171.11673	2.7
173.09573	6.6
173.13254	8.4
173.33691	0.7
183.11652	1.6
185.09554	1.0
187.11134	4.3
189.09132	1.2
191.10719	2.5
195.11690	1.4
197.09586	1.6
197.13307	1.0
199.11128	1.5
201.12683	2.9
207.11626	0.9
209.13223	3.2
213.09055	1.2
213.12701	0.8
223.11243	1.1
223.14804	2.9
225.12665	1.1
227.10565	0.7
231.10034	1.2
233.12909	0.7
235.14752	0.9
237.12704	1.6
237.16360	2.9
238.96710	0.7
239.18016	0.8
253.15913	1.6
255.17461	1.0
264.14871	0.8
265.15771	0.6
265.19467	2.9
275.17786	1.1
283.16858	1.1
283.20697	0.8
293.18903	4.9
296.17697	0.9
300.17154	4.1
300.20383	0.6
301.17880	2.9
311.16483	1.4
311.19980	19.8
312.93341	0.8
329.21060	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	329.211
Annotation	Longithorol C
Peak:m/z	Relative Intensity
51.53982	0.4
55.05507	0.7
59.98857	0.4
60.14703	0.4
67.05490	0.8
69.07048	0.9
69.61677	0.4
69.86286	0.4
79.05479	0.8
81.07063	3.9
91.05459	0.8
93.07044	4.2
95.04925	0.6
95.08608	3.8
97.06497	0.6
103.31328	0.5
105.07024	4.4
107.08598	4.9
109.06519	2.4
109.10160	0.8
111.08041	0.6
117.06988	1.7
119.08554	4.3
121.06482	0.8
121.10137	2.9
123.04401	0.6
123.08047	1.8
123.11716	0.5
125.09603	1.0
129.07004	0.8
131.08568	6.3
133.10136	5.0
135.08040	1.8
135.11674	2.2
137.05962	2.2
143.08562	2.4
145.06393	0.8
145.10127	5.0
147.08040	2.8
147.11720	1.0
149.09619	2.1
151.11174	0.6
155.08575	0.9
157.10109	3.7
159.08041	2.1
159.11693	6.6
161.09601	2.7
161.13257	1.1
165.09113	0.6
169.10068	2.5
171.08031	2.8
171.11652	3.3
172.27403	0.4
173.09631	5.5
173.13258	22.5
175.07475	0.7
175.11218	0.9
175.14874	1.4
177.09116	1.7
181.10173	0.7
183.11713	3.4
185.09669	2.1
185.13274	2.6
187.11238	5.0
189.09081	2.0
191.10641	2.4
193.10153	0.6
195.11671	3.3
197.13226	2.2
199.11151	2.5
199.14803	0.8
201.12732	5.8
203.14294	0.6
205.12285	0.9
209.09723	0.6
209.13251	2.0
211.11143	0.6
211.14801	0.6
213.12779	1.9
213.16216	0.7
215.10803	0.5
217.12233	0.6
219.13649	0.5
223.11229	2.1
223.14810	2.0
225.12796	0.7
225.16422	1.9
227.14365	0.6
233.13261	0.8
235.14882	0.7
237.12675	1.7
237.16400	3.6
239.14273	0.8
241.12350	0.6
241.15923	0.7
243.17412	1.6
247.14743	0.5
249.16362	0.8
251.14275	0.8
251.17941	0.7
253.15825	2.8
255.17448	1.0
265.15912	0.9
265.19620	3.3
267.17365	1.0
269.18945	0.9
275.17987	2.3
278.16684	0.8
283.20511	3.5
293.18988	7.2
296.17664	0.5
300.17252	2.6
301.17984	2.2
311.20059	22.3
314.18750	1.0
329.21097	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	329.2686
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
57.03445	78.9
57.39820	4.0
58.06440	4.1
61.02910	19.9
68.29702	4.6
69.07082	7.1
75.04491	4.9
81.07093	5.6
92.17857	6.1
98.98448	17.6
117.05480	100.0
218.36125	5.1
329.17441	16.8
329.27045	35.8
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	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.95111	1.0
55.05519	21.3
57.03445	15.7
57.07079	17.8
63.86379	1.2
67.05508	10.4
69.07069	40.8
71.04946	1.0
71.08630	11.1
79.05486	2.5
81.07063	19.4
82.49231	1.0
83.08160	1.7
83.08619	35.6
85.06533	1.4
85.10146	4.6
93.07036	12.8
95.08604	17.8
97.06516	6.3
97.10170	20.1
98.98452	2.6
101.06021	1.5
107.08588	10.2
109.10139	7.3
111.08087	4.8
111.11706	5.0
119.08641	1.2
121.10132	9.5
123.11684	2.6
125.09624	2.0
135.11699	9.6
139.11166	1.3
147.11726	1.1
149.13251	4.9
159.11720	1.0
163.14763	1.9
171.59021	1.0
185.09457	1.0
191.39137	1.2
219.21028	3.9
231.13713	1.3
237.22119	5.8
291.33035	1.2
311.16296	1.8
311.25717	6.7
329.10211	2.5
329.17615	11.5
329.26868	100.0
329.58023	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	330.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25630	0.8
53.03948	1.2
57.23858	1.0
62.00164	0.9
67.11875	0.9
69.03421	11.1
78.03442	7.1
81.03421	17.7
85.02903	13.3
97.02869	4.6
99.04440	2.7
106.02911	71.9
108.32113	1.3
109.02874	18.9
124.03944	100.0
127.03908	9.5
136.33681	1.1
145.04945	1.1
168.10170	1.2
232.06071	4.0
250.07083	33.0
268.08142	40.1
330.11932	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04448	2.2
55.05519	25.4
66.82092	2.1
67.05505	14.4
69.03455	3.5
69.07079	5.5
74.73006	2.1
79.05493	9.4
81.07042	11.7
83.04979	2.2
83.08620	34.9
83.17690	2.4
84.74716	2.4
85.06568	3.3
92.84634	2.3
93.07042	3.6
97.10173	93.2
100.63972	2.3
107.08588	25.7
111.08124	2.8
119.08593	2.5
120.79276	2.5
123.46090	2.2
125.09628	100.0
135.08035	4.2
138.05780	2.2
151.11174	5.4
152.72409	2.6
153.09120	3.0
170.55948	2.4
171.10139	20.4
180.07413	2.3
189.11212	73.7
252.92900	2.4
277.21606	53.8
295.22635	37.4
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
52.40828	5.8
52.49642	6.3
55.01865	8.5
55.05508	27.5
57.03455	6.0
58.78693	5.8
59.11692	6.1
60.51966	5.6
67.05508	76.5
67.25245	6.1
69.07066	31.5
71.08625	9.2
79.05489	58.2
81.07053	100.0
83.04986	24.4
83.08620	36.1
88.46896	7.5
91.05472	28.6
93.07058	80.6
95.04957	11.0
95.08612	77.6
97.06528	11.1
99.08077	13.5
100.11246	13.9
105.07017	26.7
107.08603	41.1
109.10172	37.4
111.08073	11.5
117.07088	7.8
119.08578	9.3
121.10138	42.5
131.08604	10.0
133.10127	28.2
135.11703	41.5
139.11192	30.3
149.13242	26.4
151.11220	11.0
159.11696	12.3
163.11140	9.2
163.14838	7.3
173.54213	7.8
177.12744	8.3
193.12175	11.7
195.13812	52.4
259.20505	10.6
277.21667	94.5
289.21896	6.5
295.22699	46.4
330.06735	7.0
330.17719	11.2
330.27731	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	331.0809
Annotation	Malvidin
Peak:m/z	Relative Intensity
56.95390	0.4
63.66890	0.4
64.54607	0.4
96.51544	0.5
108.71942	0.4
121.10118	0.5
126.81055	0.5
155.08502	0.8
159.07999	0.6
169.10091	0.7
178.02597	0.7
181.10081	0.6
197.13287	0.6
199.11185	0.6
207.11575	1.5
211.11159	0.8
216.04309	0.5
225.12686	1.1
227.10655	0.6
242.05852	0.5
243.07906	0.5
253.12181	2.0
270.05215	13.0
271.13168	0.8
286.04782	2.2
287.05496	3.4
301.03433	2.0
302.04092	1.8
315.04950	44.1
316.05692	8.2
324.19763	0.5
331.08084	100.0
331.19037	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	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05515	0.5
59.64540	0.4
62.94699	0.3
67.05478	0.4
71.56972	0.4
79.05495	0.9
81.07042	0.7
83.04976	0.5
86.39799	0.4
93.07026	0.6
95.04964	1.0
95.08587	0.6
105.06999	0.7
107.04939	0.7
107.08582	0.7
111.04477	0.7
119.08640	0.5
123.04389	1.0
123.08096	0.6
130.80914	0.4
131.08609	0.5
133.06470	0.7
133.10069	0.5
137.06009	0.8
143.08572	0.7
143.33807	0.4
145.10138	0.6
151.03857	0.9
151.07414	0.5
153.05460	1.5
161.09583	0.8
167.03395	8.5
171.11740	0.6
177.12772	0.8
179.06985	0.6
183.11682	0.6
187.11220	0.6
211.11180	1.0
223.11006	0.6
225.12750	0.5
229.12228	0.5
235.11136	0.7
242.05785	0.5
243.06534	2.9
257.08911	0.5
259.05948	0.6
260.06805	1.7
267.17365	0.7
271.05911	3.5
271.13232	0.5
285.07947	0.6
285.18301	0.6
287.05518	1.0
288.06241	7.0
298.04745	0.8
299.05478	8.1
313.18060	0.9
316.05753	34.2
331.08115	100.0
331.18875	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	331.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.2
60.87855	1.0
64.59720	0.9
70.06581	1.5
71.49802	1.0
73.02870	1.2
84.08160	9.6
85.02889	3.9
86.09695	2.0
88.03985	2.1
98.97590	4.3
112.11245	4.8
116.07059	1.3
123.04428	5.4
127.30284	1.2
129.10225	17.5
130.05000	2.1
132.04453	2.0
135.46863	1.2
136.02153	12.0
137.05975	4.3
147.04407	4.9
149.00568	1.9
152.07057	1.9
155.15369	1.4
157.13321	1.3
158.99686	2.5
162.03786	1.2
162.04204	1.4
162.05475	13.4
163.06256	32.2
163.07597	1.1
164.01631	64.0
164.07045	37.3
175.44443	1.0
196.04268	63.2
198.05780	1.1
200.13995	1.4
205.03168	10.1
209.02760	9.1
209.06824	89.8
210.02184	85.3
219.01799	1.2
222.05733	10.3
242.04805	28.4
242.07162	1.7
251.03731	11.0
268.06320	7.7
270.54581	1.1
280.07053	1.5
285.09052	7.2
290.03067	1.5
313.17511	2.0
314.06927	33.0
331.09665	100.0
331.13324	4.2
331.18686	4.8
331.23502	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	331.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98202	1.5
68.17811	1.5
77.70017	1.7
104.44273	1.8
169.04720	60.6
185.04253	7.6
214.71625	1.8
227.34624	1.7
257.14194	1.7
331.09982	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	331.1023
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.56064	1.0
55.01867	2.3
57.03442	2.0
60.44405	1.4
69.03423	1.9
70.90853	1.4
72.93800	1.6
74.76860	1.1
85.02901	15.7
103.03951	7.0
104.96358	1.6
107.08553	1.3
109.02863	6.6
113.96397	5.8
119.37655	1.3
120.75620	1.2
123.04417	6.4
126.98395	1.9
127.03898	2.4
132.95808	6.2
137.05971	1.5
147.04388	5.6
151.03905	23.3
153.01846	1.8
155.97394	1.9
158.97401	6.9
163.03908	10.8
165.05429	13.1
167.61887	1.1
169.04956	21.2
170.97415	6.7
172.98940	1.5
175.03908	6.4
181.04948	56.8
181.80048	1.2
181.98917	1.5
183.36511	1.3
187.03925	1.4
188.98441	8.1
189.05458	7.4
193.04962	100.0
193.60150	1.2
195.02769	1.3
198.96864	2.5
205.04958	12.7
207.02924	2.1
207.06514	30.2
211.06004	52.8
216.97922	2.0
217.04912	2.6
219.06485	2.0
225.16376	1.3
229.04959	14.2
230.99449	1.8
231.06552	6.0
233.04387	1.6
235.06020	59.1
241.04869	2.9
247.05995	84.5
249.00635	2.3
259.06030	27.5
265.07034	10.1
267.01581	2.8
276.76108	1.3
277.07117	21.1
290.03217	13.6
295.08145	19.1
308.04324	8.9
313.09067	14.2
328.53143	1.2
331.10037	5.8
331.13608	6.5
331.19113	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	331.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.66808	1.4
56.00921	1.7
57.03440	2.2
69.03409	2.4
85.02883	14.3
97.02892	3.1
102.03291	1.6
103.03959	4.0
106.82431	1.6
108.00471	1.6
109.02898	3.3
119.04938	2.0
123.04418	10.4
132.15320	1.8
139.03905	7.6
139.79193	2.1
147.04448	3.9
151.03929	27.1
163.03870	15.7
165.05458	10.2
169.04956	25.8
169.09721	3.0
175.03894	12.1
181.04967	63.3
187.03844	2.5
189.05496	9.9
193.04955	100.0
194.55048	1.8
205.04967	11.3
207.02785	2.0
207.06491	34.6
211.06000	51.7
213.05515	2.9
217.04945	4.1
229.04967	17.9
231.06551	6.3
233.04533	2.2
235.05992	66.9
241.04950	2.7
247.05992	71.3
247.08453	3.5
259.06033	30.0
265.07162	9.8
277.07025	17.7
295.08127	19.1
313.09189	14.3
331.10474	3.4
331.13599	13.5
334.28961	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	331.1023
Annotation	32142-31-7
Peak:m/z	Relative Intensity
50.85288	0.4
53.49252	0.4
53.61271	0.4
54.69146	0.4
69.61954	0.4
77.23666	0.4
85.02909	1.8
85.33575	0.5
97.02905	0.5
109.06507	0.7
123.04439	4.2
123.08032	0.7
127.03914	2.3
135.04425	1.0
137.05968	0.7
147.04385	0.9
151.03900	7.3
151.07591	0.8
157.10127	0.5
163.07610	0.5
169.04948	100.0
179.06981	3.0
193.10245	0.6
267.17743	0.5
313.18030	0.8
331.11420	0.6
331.17038	20.4
339.05447	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	331.1304
Annotation	5,10-diborylporphine
Peak:m/z	Relative Intensity
53.03960	0.5
55.05508	3.2
57.07080	11.4
68.91769	0.6
71.04994	16.8
80.89632	0.6
83.04501	1.1
83.04982	21.5
85.61548	0.7
88.72556	0.5
90.84019	0.6
91.05510	0.8
91.42912	0.5
92.17840	0.7
92.49797	0.6
95.04935	1.1
101.06013	5.8
105.03366	2.4
109.10097	1.0
117.96381	0.6
129.07054	1.1
147.08072	1.0
175.01550	100.0
179.07039	1.3
181.46825	0.7
227.04637	4.9
231.07825	4.4
275.06784	7.5
313.17828	0.7
331.13022	70.8
331.19055	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	331.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01612	1.1
53.94702	1.0
75.34850	1.2
85.02882	2.6
91.05476	1.6
97.02896	2.2
105.07037	1.7
119.04916	2.5
121.53999	1.3
123.04420	37.9
133.06468	8.2
137.05975	2.3
139.03886	2.4
147.04346	1.5
151.03931	1.4
151.07553	30.2
169.08574	5.6
175.07564	1.9
179.07037	7.9
189.05461	1.5
215.64699	1.2
235.69313	1.2
277.10822	2.7
331.13623	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	331.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.9
69.03400	1.0
76.76859	0.8
78.28284	0.9
81.03400	1.2
81.07036	2.0
81.45666	0.9
85.02908	11.2
91.05456	1.8
93.07055	1.3
97.02879	2.0
107.08599	3.6
109.02900	1.1
109.06525	3.1
119.14635	0.8
123.04418	4.7
123.11709	1.3
127.03896	3.4
127.07550	2.0
135.04442	1.4
137.05971	1.4
139.03867	0.9
144.72044	0.9
149.09637	3.2
151.07552	1.2
151.11176	63.1
162.02336	0.8
163.11234	1.5
165.05376	0.8
168.00508	0.9
169.12228	15.3
179.07024	6.2
181.08641	0.8
192.09554	0.7
211.53383	0.9
313.16544	1.9
331.13635	100.0
331.29877	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	331.1373
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.01612	1.1
53.94702	1.0
75.34850	1.2
85.02882	2.6
91.05476	1.6
97.02896	2.2
105.07037	1.7
119.04916	2.5
121.53999	1.3
123.04420	37.9
133.06468	8.2
137.05975	2.3
139.03886	2.4
147.04346	1.5
151.03931	1.4
151.07553	30.2
169.08574	5.6
175.07564	1.9
179.07037	7.9
189.05461	1.5
215.64699	1.2
235.69313	1.2
277.10822	2.7
331.13623	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	331.1386
Annotation	erythro-1'-(4-Hydroxyphenyl)propane-1',2'-diol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03124	0.4
59.19754	0.4
69.03416	1.2
70.72517	0.5
81.03416	0.9
85.02892	6.8
87.48102	0.5
91.05466	2.2
94.38460	0.5
95.04935	1.1
97.02879	2.5
105.07015	8.6
109.02892	0.6
109.06541	0.7
119.04928	2.6
123.04424	100.0
127.03918	0.8
133.06487	17.2
137.05989	2.1
147.04343	0.6
149.05965	0.7
150.06789	0.6
151.07536	50.9
157.06461	1.0
159.08006	0.7
161.05899	0.8
163.07556	0.8
165.09077	2.3
169.08578	17.5
169.09993	0.8
171.08026	0.7
175.07492	1.0
179.06981	0.8
187.07475	0.6
189.05376	0.6
189.09065	0.7
193.04900	0.6
193.08603	2.5
211.05962	0.6
217.08527	0.8
235.09561	0.8
277.10785	2.4
285.74780	0.5
292.98093	0.6
313.18079	0.7
331.10007	2.5
331.13678	16.0
331.18124	0.8
331.18994	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	331.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03437	3.0
69.03451	2.3
72.98159	1.7
73.02907	8.0
75.81589	1.5
80.50587	1.9
85.02904	7.4
87.88107	1.6
95.09522	1.7
97.02869	8.7
100.08874	1.8
104.06168	1.6
106.06287	1.6
108.98589	1.9
131.04889	3.9
137.05969	100.0
143.04892	2.6
145.06453	9.0
151.07533	10.7
160.05186	7.0
163.07549	10.6
169.06464	4.0
173.05952	6.8
175.07541	65.6
175.08975	3.4
177.05498	2.5
177.09126	11.8
181.06433	2.8
181.08629	12.2
187.07568	19.1
189.09129	6.2
191.07066	9.4
192.57872	2.1
197.06096	3.1
199.07564	4.3
201.09192	14.4
203.07022	8.9
205.08551	17.6
209.08183	2.2
213.09131	2.5
223.09644	2.3
229.08620	13.3
233.08121	2.7
247.09538	2.0
259.09631	2.0
265.10651	10.3
277.10696	30.9
295.11716	2.4
342.89780	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.73492	1.3
51.30102	1.5
59.67440	1.8
86.04623	1.7
91.05494	16.7
95.04958	4.1
99.04591	1.8
103.05494	2.4
105.07015	2.2
107.04971	4.1
109.06492	4.4
119.04940	22.9
121.06512	9.5
122.03714	1.7
129.06995	14.6
131.04919	4.2
135.08028	7.7
137.05971	91.7
145.06459	2.8
149.05998	9.3
149.61403	1.8
151.03983	3.4
151.07536	100.0
151.08763	3.6
157.06499	14.6
161.05945	14.8
161.09555	3.4
163.07524	16.9
165.06987	3.5
165.09116	4.0
167.08525	10.1
174.06761	3.4
177.07095	1.9
177.09148	2.6
189.09093	28.8
193.08540	2.4
193.10056	14.5
195.08055	32.6
198.48256	1.9
207.10179	3.4
209.09517	2.8
210.06616	2.6
212.08299	3.0
221.06020	11.3
221.09601	15.9
223.07602	13.1
225.09082	11.1
227.10664	38.7
237.09108	2.4
238.06215	2.0
238.10036	2.9
240.07724	3.7
249.09119	3.2
253.08620	23.4
253.12207	17.4
255.10118	26.4
267.10150	9.5
269.08087	7.2
272.10269	3.8
281.11633	3.4
285.11160	21.3
287.12772	68.1
313.14328	31.7
331.15347	22.4
331.18832	3.0
344.22873	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	331.1537
Annotation	Podolide
Peak:m/z	Relative Intensity
53.43740	1.6
57.33888	1.8
61.70556	1.7
62.26145	2.0
83.04991	1.8
95.02181	2.1
105.07008	3.0
131.08571	2.2
133.10234	2.3
143.08542	5.0
145.06441	2.4
149.15523	2.1
153.07021	2.4
155.08563	4.9
158.07199	2.4
159.08028	10.2
166.07715	2.6
167.08519	3.8
169.10150	7.8
171.07980	7.7
173.09612	4.8
178.07788	2.6
179.08507	3.8
181.06485	3.7
181.10155	2.4
182.10976	4.5
183.08101	3.0
183.11716	4.7
184.08842	3.6
185.09581	3.3
191.08475	2.1
192.09370	9.1
193.09926	3.1
195.08047	8.3
195.11699	3.7
196.08858	3.1
197.09567	4.5
197.13229	4.1
198.10385	3.8
199.11122	15.1
201.09062	3.0
207.11690	4.7
208.08871	3.8
209.09663	7.3
210.10382	11.7
211.11197	13.3
213.12564	3.4
220.08838	2.4
223.11142	13.3
225.12715	18.4
227.10551	9.6
235.11221	4.2
236.09477	2.1
238.09827	2.8
241.12115	4.7
253.12238	4.9
271.13214	14.3
318.32391	2.1
328.87723	2.1
331.15378	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	331.1538
Annotation	Gibberellin A11
Peak:m/z	Relative Intensity
50.37038	3.4
59.12626	3.3
69.03418	5.2
70.67215	3.2
71.04991	18.1
92.18510	7.9
97.06522	20.7
110.51588	3.5
117.07001	3.7
117.68845	4.1
129.06950	7.0
141.06944	5.1
143.08551	24.5
144.05612	4.3
145.06483	6.0
145.10123	6.0
147.08046	4.2
148.38629	4.2
153.32623	3.5
155.08536	15.6
159.08049	85.7
166.07773	6.1
169.10104	6.8
170.68416	4.4
171.08046	9.2
171.11681	7.1
172.08847	4.9
173.09584	80.0
181.10135	29.0
183.08037	4.2
184.08786	9.0
185.09554	6.0
187.07710	4.0
194.07358	4.9
196.08887	5.9
197.09679	5.9
197.13246	5.1
198.10468	4.9
199.11183	100.0
209.09612	23.2
210.10335	4.1
211.11192	19.2
212.08258	9.3
225.12689	49.2
227.10634	88.0
229.12074	4.7
235.11218	6.7
241.12228	4.7
243.13737	6.3
253.12212	35.4
271.13235	64.0
271.77304	4.6
304.72305	3.7
331.15341	35.0
331.19037	27.0
346.58795	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	331.1539
Annotation	Podolide
Peak:m/z	Relative Intensity
56.47036	1.8
64.43813	1.7
69.03422	3.7
83.04964	2.2
92.18493	4.3
95.04964	3.2
105.07016	2.2
129.06940	3.2
142.94691	2.2
143.08478	7.0
145.06464	3.9
153.07037	2.1
155.08540	13.3
157.06400	2.4
158.07318	2.6
159.08087	10.8
165.06961	2.7
166.07761	2.8
167.08511	3.8
168.09276	3.8
169.06516	1.9
169.10085	11.1
171.08046	4.2
171.11559	2.3
173.06039	2.6
173.09593	3.3
181.10179	4.3
182.10956	3.2
183.11702	4.2
184.08768	2.3
185.09520	4.3
192.09320	11.5
195.08051	10.6
195.11600	3.9
196.08830	8.9
197.09537	9.5
197.13277	4.9
198.10361	2.8
199.11111	10.0
207.11649	8.3
208.08818	3.9
209.09546	4.6
210.10417	16.0
211.11163	14.0
212.08264	3.3
220.08893	3.7
223.11169	16.1
225.12706	21.0
227.10617	12.2
235.11182	3.4
238.09908	4.4
241.12224	8.0
253.12108	2.9
271.13275	12.8
331.15341	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	331.1539
Annotation	Podolide
Peak:m/z	Relative Intensity
53.03945	1.4
66.83472	1.5
69.03429	2.5
79.05511	1.4
83.04971	1.4
95.04936	2.1
96.78634	1.4
105.07018	1.7
108.53429	1.7
116.75692	1.3
121.06461	2.9
129.06982	2.7
133.06439	2.2
135.08037	2.2
141.06978	2.7
143.08542	9.1
147.08066	2.0
155.08507	8.2
157.06543	1.8
159.08035	10.1
166.07672	3.0
167.08545	8.3
169.10138	6.6
171.08026	7.7
173.09573	6.6
174.71317	1.4
179.08600	1.8
181.10077	3.5
182.10904	5.9
183.07953	2.1
183.11690	3.2
184.08766	1.8
185.09566	3.6
192.09317	8.1
193.10101	1.7
195.08046	7.1
196.08797	7.0
197.09581	6.9
197.13263	6.3
198.10399	2.3
199.11131	11.8
207.11717	6.3
208.08780	2.9
209.09595	5.4
210.10402	11.7
211.11185	9.7
212.08269	1.8
213.12785	2.2
223.11249	13.4
225.12746	16.5
227.10640	10.3
235.11299	2.0
238.10017	1.5
241.12450	5.4
253.12242	10.0
271.13290	8.7
293.35376	1.5
331.08655	3.3
331.15369	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	331.1539
Annotation	Gibberellin A62
Peak:m/z	Relative Intensity
53.97161	1.1
69.07067	21.2
70.34370	1.0
72.63055	1.1
73.06553	2.5
79.06879	1.1
83.04987	2.0
95.08577	2.0
97.06532	42.5
105.07037	2.6
107.08581	2.3
109.10179	2.9
137.09605	2.9
145.06424	1.3
151.11212	2.8
155.08603	1.5
159.08022	2.4
163.07544	5.4
167.03392	2.6
171.07970	1.4
173.06006	8.0
178.76328	1.3
179.07018	14.3
179.10683	2.9
185.09631	1.5
187.07596	5.7
188.08353	7.6
189.09097	9.1
199.11226	1.5
201.05392	1.5
201.09125	2.4
211.11275	1.9
215.07019	53.6
219.10164	1.8
224.11975	2.6
225.09113	2.4
225.12706	8.1
227.07097	7.9
227.10635	2.5
229.08539	2.4
229.12312	5.3
233.08076	18.0
235.11163	1.4
239.14325	2.3
243.13800	8.7
245.11882	1.6
252.11427	1.9
253.12122	2.9
267.13861	19.9
267.17285	2.1
271.06036	1.3
271.13260	2.7
271.17172	1.7
285.14832	50.2
285.17761	1.9
288.06287	3.0
289.14340	5.9
313.14383	21.2
313.18118	5.2
316.05750	19.8
331.08179	62.9
331.15417	100.0
331.19107	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	331.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21928	0.4
75.77000	0.5
91.05486	0.7
93.02648	0.5
105.04991	0.6
107.81502	0.6
131.04860	1.3
135.04364	0.6
137.05971	12.0
147.04321	0.6
149.05969	0.9
151.03894	1.3
151.07515	1.4
161.05963	2.9
161.09613	0.7
163.07536	16.3
169.04959	7.1
179.07039	1.0
189.09074	3.5
207.10115	2.1
287.12787	0.9
290.07269	0.7
296.17844	0.6
313.14255	1.1
331.17227	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	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.26808	0.8
55.61609	0.7
61.99020	0.8
91.05508	1.1
105.03400	1.5
107.08575	0.8
109.10167	1.6
133.10085	1.4
163.07480	1.1
179.07002	3.9
203.99919	0.7
230.86279	0.8
239.57474	0.9
290.83493	0.9
331.18790	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	331.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73067	1.6
53.63048	1.3
53.88515	1.2
55.23645	1.2
66.10073	1.4
69.07052	1.5
81.79932	1.9
90.29084	1.6
93.07054	1.8
98.98492	1.9
109.10120	2.5
146.74725	1.7
150.57117	1.5
163.07491	3.1
177.60847	1.5
179.06993	12.4
217.11848	1.8
264.65903	1.8
289.14407	2.0
331.18817	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	331.1881
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.15413	0.9
64.22647	1.2
66.18127	1.0
70.25909	1.3
70.50356	1.0
72.07786	1.2
73.11417	1.2
82.82554	1.1
95.08586	1.8
97.06512	1.3
98.79843	1.0
98.98441	1.5
109.10156	2.7
133.10016	1.1
151.11180	1.5
162.11908	1.1
163.07512	2.7
179.06973	8.9
179.10591	1.4
219.10020	1.4
289.14236	4.9
313.17746	20.4
331.18835	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	331.188
Annotation	Carnosol
Peak:m/z	Relative Intensity
63.38005	0.8
74.54961	0.8
97.02357	0.8
105.03378	1.1
109.64551	0.8
123.00410	0.8
313.17676	0.9
324.15512	0.8
331.18802	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	331.1903
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
55.05510	10.2
59.30394	1.8
63.42300	1.6
67.05505	3.3
68.76557	2.4
79.05509	21.7
81.07057	4.3
83.05000	16.7
93.07058	4.2
95.04953	14.4
95.08608	9.1
105.07035	4.1
107.04954	15.0
107.08601	11.1
109.06521	3.7
109.10147	4.6
111.04432	32.0
114.73766	2.0
119.08584	4.8
121.06512	4.4
121.10173	4.6
121.59855	2.0
123.04398	9.1
123.08022	9.2
123.11745	3.7
131.08565	4.5
133.06511	2.7
135.04457	4.0
135.08087	3.7
135.11696	3.3
137.09570	3.9
137.38319	2.6
143.08537	8.6
145.10109	3.8
147.08047	4.0
149.09624	4.5
150.10410	2.6
152.25853	2.5
155.08638	2.5
157.10144	3.1
159.08043	2.9
159.11708	3.2
163.11176	3.4
169.10144	3.0
171.11696	4.0
173.09578	4.6
177.12770	4.0
179.14404	4.1
181.10056	2.4
183.11655	14.4
185.09561	3.0
189.12794	2.7
193.10210	3.8
197.09712	2.3
199.11232	2.2
205.12196	4.4
211.11174	15.2
215.10684	4.0
225.12820	3.9
229.12280	8.8
241.12212	2.9
253.12180	5.2
253.15848	3.0
267.17584	8.5
271.16757	2.5
285.18503	3.4
295.16931	3.4
313.14471	2.5
313.17966	13.5
315.86438	2.4
331.08221	2.7
331.15433	9.7
331.19043	100.0
331.22690	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	331.1902
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05496	1.1
57.10815	1.1
69.07078	1.6
86.08511	1.1
87.60468	0.8
89.16362	0.9
91.05450	1.0
93.07069	0.9
95.08600	5.5
105.07029	1.0
107.07937	1.3
107.08607	20.7
109.10109	1.6
123.04395	1.0
125.09596	1.1
135.08040	1.2
141.85599	0.9
157.10004	1.3
163.03857	4.4
165.09097	1.8
171.08037	1.0
175.07439	1.0
179.07100	1.0
179.10648	1.0
183.02435	0.9
183.08102	1.3
183.11687	1.5
197.09590	1.2
197.91557	0.9
201.09131	1.0
203.10605	2.2
205.08601	23.9
206.43428	1.0
207.11768	1.1
209.09566	1.4
211.07536	3.6
211.11111	7.2
215.10631	2.1
219.10155	11.2
223.10957	1.2
224.11877	1.2
225.12724	3.8
227.10585	1.0
228.11430	1.1
229.08559	1.0
229.12273	6.4
231.10139	2.2
235.11180	3.4
243.10031	1.1
252.11472	1.0
253.12209	8.9
253.15768	5.0
255.10120	3.6
257.11719	1.1
267.17371	1.2
270.12402	4.5
270.15994	1.0
271.13205	5.4
271.16946	6.7
283.13278	5.0
284.14005	2.1
285.18542	1.3
295.16946	6.4
298.15588	12.5
313.17929	6.0
331.15747	4.0
331.18997	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	331.1902
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
55.05510	15.3
67.05502	2.9
69.03418	4.1
69.07042	3.9
79.03197	2.4
79.05498	17.9
81.07041	5.1
83.04989	26.4
91.05451	2.9
93.07035	9.4
95.04955	11.0
95.08592	2.8
97.02882	14.5
105.07031	10.5
107.04981	8.9
107.08575	15.1
109.02909	3.1
109.06506	3.6
109.10146	19.1
111.04421	11.0
117.06993	3.0
119.08575	10.3
121.06468	4.3
121.10133	11.2
123.08038	10.7
131.08585	9.5
133.10132	12.2
135.08034	11.6
135.11656	3.1
137.09605	4.5
138.68613	2.0
143.08545	4.6
145.10086	9.8
147.08060	3.6
147.11682	2.2
149.09608	11.2
151.11234	3.3
155.08575	3.3
157.10066	4.8
159.08046	3.4
159.11710	14.0
161.09625	8.5
163.07532	2.9
163.11169	5.1
171.11783	3.3
173.09610	5.0
173.13260	2.9
177.09067	3.6
177.12813	10.3
179.10635	2.3
187.11192	8.0
189.12704	5.0
197.13283	2.7
199.11168	4.0
201.12662	3.4
205.12260	5.4
217.12273	2.3
228.96945	2.8
267.17264	3.2
285.18442	5.3
295.16733	5.1
313.18011	30.1
331.18976	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	331.1901
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
52.53213	1.1
55.05511	9.2
60.56191	1.1
65.41886	1.1
67.05493	5.8
69.03423	1.6
69.07056	2.6
69.74315	1.4
79.05505	16.4
81.03447	2.0
81.07048	6.7
83.04988	20.1
83.08612	1.5
87.64977	1.3
91.05488	5.5
93.07023	7.2
95.04962	8.4
95.08606	11.9
97.06527	3.0
99.01919	1.4
105.03389	1.6
105.07025	10.1
107.04948	6.8
107.08575	12.4
109.06499	6.5
109.10159	9.4
111.04440	15.0
112.52846	1.3
117.06990	3.1
117.24139	1.3
119.08550	11.8
121.06494	2.9
121.10110	9.6
123.08044	10.4
123.11707	1.6
129.07018	1.4
131.08545	3.4
133.06494	1.9
133.10149	6.8
135.04396	2.1
135.08054	12.4
135.11708	2.9
137.09595	7.5
142.07707	1.4
143.08562	6.1
144.09309	1.6
145.10098	5.4
146.07364	1.5
147.08078	5.7
147.11658	3.1
149.05951	2.0
149.09598	6.9
149.13235	2.7
150.10396	2.2
151.11191	5.7
155.08542	2.2
156.09326	2.1
157.10114	7.2
159.08061	7.4
159.11699	10.7
160.08821	1.6
161.09613	3.1
161.13165	2.2
163.07536	1.8
163.11122	2.6
169.10083	2.5
171.11574	3.1
173.09503	2.5
173.13289	2.2
177.09126	3.2
177.12746	10.8
179.10707	1.6
183.11777	2.7
185.09616	1.8
185.13316	1.9
187.11110	6.9
189.12685	2.9
191.10597	1.7
197.09506	2.6
197.13277	2.6
199.11148	8.3
201.12784	2.5
203.10701	2.1
205.12231	6.2
207.11726	2.0
210.10468	1.9
210.49794	1.4
211.11169	7.3
213.12657	5.6
217.12057	4.3
225.12724	2.7
229.12212	1.5
232.14569	2.1
241.12242	5.3
250.37315	1.4
253.12209	2.3
253.16006	2.1
285.18329	2.2
295.16956	2.5
301.18134	2.1
313.17993	17.4
318.49564	1.4
331.15424	9.9
331.18985	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	331.1902
Annotation	[1aS-[1aalpha,4alpha,4aalpha,5alpha(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.55457	1.4
53.03945	2.2
55.05510	13.3
63.04488	1.6
67.05519	1.7
69.03419	2.2
70.90823	1.5
73.50931	1.7
77.03928	1.6
78.25109	1.6
79.05492	46.0
81.07040	1.6
83.04981	37.6
83.65269	1.7
93.07022	3.0
95.04955	17.7
95.08577	9.3
105.07007	2.6
105.61890	1.5
107.04951	21.9
107.08571	7.1
108.17200	1.6
109.06514	1.8
109.10120	9.9
111.04437	17.6
114.57194	1.6
119.08565	6.4
121.06471	3.4
121.10101	8.7
123.08040	8.0
131.08540	1.9
133.10095	1.9
135.04410	3.8
135.08025	8.9
135.11652	8.9
137.09576	3.7
149.09584	17.9
149.13217	3.8
150.10390	16.0
151.11180	3.2
151.14801	3.6
157.10014	1.8
159.07956	2.0
159.11699	6.5
161.13266	3.0
163.07468	1.6
163.11177	7.4
177.12692	12.1
178.13463	3.6
179.14285	9.6
187.11154	2.2
205.12206	25.4
231.14139	1.4
313.17905	8.8
331.07950	3.4
331.15799	3.5
331.18988	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	331.1902
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
51.66968	2.7
52.99273	2.0
53.03947	2.5
54.23749	2.2
55.05511	11.9
57.03462	2.2
57.94106	2.4
65.32322	2.2
65.86337	2.3
67.05486	5.2
69.03401	3.6
69.07045	4.2
75.85080	2.2
79.05489	25.7
81.03400	3.6
81.07044	12.8
83.04976	36.6
91.05482	4.7
93.07031	11.0
95.04971	23.4
95.08568	12.1
97.02885	2.9
97.06506	3.9
101.44002	2.6
105.07025	13.9
107.04944	12.1
107.08588	16.5
109.06519	9.7
109.10165	6.3
111.04416	25.5
119.08549	13.5
121.06479	5.9
121.10123	13.5
123.04435	4.2
123.08033	10.6
123.11703	3.7
124.37321	2.7
131.08551	10.9
133.10118	16.8
135.04475	4.2
135.08032	10.3
135.11659	5.5
135.61964	2.8
137.09569	2.7
143.08540	5.6
145.10123	5.5
147.08034	5.0
149.09613	13.4
149.13179	3.8
150.10397	4.8
151.11205	3.4
157.10135	5.9
159.08066	5.9
159.11676	20.9
161.09613	10.0
163.11154	6.2
169.10088	6.3
171.07979	4.8
171.11581	3.8
173.09616	6.0
177.12764	14.6
179.10658	2.9
179.78598	3.0
185.09523	3.6
187.11124	5.2
189.09175	2.8
189.12762	3.5
199.11160	3.7
205.12213	18.7
211.11165	5.1
221.13107	2.6
223.11168	3.3
225.12773	5.7
227.10771	4.7
227.14157	3.0
232.28177	2.7
253.12096	2.9
267.17203	2.7
284.78705	2.6
285.18329	2.9
295.16974	5.9
313.17859	25.7
331.15308	14.9
331.18936	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	331.1904
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
51.90803	1.6
51.99087	2.0
56.00583	1.7
57.03433	1.9
57.44858	1.7
66.78998	1.7
69.07069	4.3
79.05504	2.7
81.07027	2.1
83.05009	3.2
86.87424	1.7
91.05477	1.8
95.04960	2.3
95.08581	4.6
98.30940	2.0
105.07020	4.1
107.08559	3.0
109.06442	3.5
109.10184	3.3
111.94772	2.2
119.08523	3.4
123.08058	2.5
131.08571	2.7
133.06454	2.6
133.10123	4.8
135.08035	2.5
141.06866	2.3
141.97127	2.1
143.08540	4.3
145.10127	2.9
147.08023	3.0
147.11726	2.0
149.05923	2.5
149.09691	2.5
151.07603	2.5
155.08559	5.0
157.10094	3.8
159.08086	6.5
159.11630	2.3
161.09595	2.6
169.10146	2.7
171.11670	2.4
173.05946	3.2
173.09647	4.0
173.13303	3.3
182.10918	3.3
183.08044	4.6
183.11688	4.5
187.07465	3.3
187.11209	2.5
189.09142	3.3
192.09392	3.8
197.09598	3.8
197.13269	7.6
199.07491	2.2
199.11165	5.1
201.09070	8.0
203.07068	18.5
203.10651	2.9
207.11678	4.0
209.13252	3.4
210.10451	4.1
211.11148	3.6
215.07039	8.8
215.10687	12.5
217.12247	5.0
223.11169	4.1
225.09044	2.9
225.12740	12.1
227.10730	3.9
229.12250	13.8
241.12204	3.5
241.15779	3.0
243.13745	4.5
245.11710	85.8
249.16283	2.4
253.08453	3.3
253.12289	14.5
257.11679	8.1
270.05243	3.2
271.13199	15.6
281.11670	2.5
285.18762	6.3
289.14368	2.4
295.16879	8.1
298.36197	2.1
313.14478	4.1
313.17978	16.7
315.04926	19.5
316.05777	4.7
331.04538	4.1
331.08298	32.3
331.11725	4.5
331.15344	39.7
331.19016	100.0
331.22681	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	331.1902
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
79.00739	1.2
83.04959	1.4
95.08596	3.8
97.06492	6.0
105.07001	1.8
107.08566	1.7
109.10149	12.7
115.81407	1.2
117.61087	1.0
117.65620	1.1
120.24169	1.1
121.06525	1.1
121.10040	1.6
123.04473	1.5
123.11721	1.8
133.10077	2.1
137.09569	5.6
143.08476	2.1
145.06462	4.5
145.10185	1.6
146.02765	1.2
147.07939	1.3
150.71202	1.1
151.11172	9.2
157.10143	1.5
159.08023	1.7
159.11597	1.5
161.09598	1.5
163.07516	15.4
169.10144	2.0
173.09592	1.5
177.05559	1.4
179.07031	44.9
179.10606	9.7
179.11943	1.1
181.10065	1.5
182.10832	1.3
182.76886	1.2
183.07996	1.5
183.11633	1.5
185.09647	1.9
187.07477	1.6
189.09152	1.2
191.10658	1.7
192.09460	1.7
197.09654	1.7
197.13194	2.0
199.11160	3.9
201.09047	1.6
203.10611	1.6
207.11664	2.0
209.09714	1.3
209.12277	1.2
210.10217	1.6
211.11166	2.5
215.10733	2.1
219.10080	6.9
222.06723	1.3
225.12656	6.8
227.10609	1.7
229.12196	1.6
243.13889	1.3
245.11601	2.0
253.12169	7.1
271.13251	7.5
289.14337	13.6
313.17902	2.1
331.15308	19.3
331.18945	100.0
337.48138	1.1
342.48804	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	331.1901
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.99947	1.1
81.07039	3.2
83.04966	1.9
83.08604	6.3
93.07038	1.8
95.08578	5.8
97.06480	2.4
105.06999	2.9
107.08543	2.9
109.10138	3.4
111.08063	3.0
114.71007	1.5
119.08548	2.4
121.06524	1.8
121.10168	1.5
123.08001	2.4
125.09615	5.3
129.06914	1.5
133.10092	2.1
135.08047	7.0
137.09604	14.4
143.08546	2.8
147.08043	5.2
149.09599	27.6
151.11163	3.4
155.08566	7.6
159.08018	7.2
161.09592	2.9
163.07465	3.3
169.10112	7.7
171.11600	1.8
172.49118	1.4
173.09566	3.1
175.11153	1.5
177.09100	2.8
179.07088	10.2
183.07996	1.6
183.11670	7.8
185.09612	1.7
187.11183	3.2
192.55505	1.6
193.10072	1.8
195.11688	6.3
197.09573	9.4
197.13268	2.3
199.11166	7.3
201.09004	1.4
209.13249	2.9
211.11128	13.7
211.14792	6.5
214.75528	1.7
215.10609	2.6
219.10046	1.6
220.12477	7.2
225.12701	3.0
225.16333	11.3
229.12253	2.1
235.11206	1.9
235.14774	30.2
238.13301	2.4
239.14185	1.7
243.13840	2.8
243.17467	2.7
249.16388	3.5
251.14287	6.0
253.12135	2.2
253.15837	62.4
267.17438	3.1
271.16934	38.2
285.18448	8.6
289.14270	3.3
295.16879	26.7
313.17947	80.8
316.16296	2.0
331.15756	3.6
331.19006	100.0
341.36044	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	331.1903
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
54.23693	3.4
81.07043	4.6
83.08552	4.6
97.06565	5.5
100.39530	4.6
107.08517	4.4
109.10160	17.3
137.09605	7.6
163.07495	9.3
179.07042	38.7
179.10657	9.7
221.14418	4.6
289.14450	7.1
313.17947	5.0
331.18982	100.0
331.34186	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	331.1904
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
59.00370	1.4
66.34290	1.4
69.07082	1.8
71.32693	1.3
97.06497	3.5
100.96005	1.6
109.10126	12.2
117.73397	1.8
137.09604	8.0
145.06448	3.1
151.11169	10.4
163.07509	14.7
164.63351	1.6
168.32751	1.6
179.07013	43.1
179.10626	10.7
182.69101	1.7
187.07477	2.7
219.10086	6.7
243.13789	2.2
251.34869	1.6
252.26108	1.8
253.12201	2.0
289.14261	14.7
331.18991	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	331.1904
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.90425	1.0
56.99643	1.3
57.03440	2.6
67.05498	1.7
69.07027	1.7
69.69318	1.3
70.80724	1.2
81.07040	2.1
82.97583	1.3
93.07047	1.6
95.08601	22.5
107.08587	2.6
109.06498	1.4
109.10127	2.3
111.08176	1.7
113.09647	2.0
119.08604	1.7
133.10155	2.3
143.08533	1.8
148.46132	1.3
157.06479	1.8
161.05988	2.2
162.92464	1.4
165.09091	26.3
173.09744	1.7
175.07657	1.5
177.05449	1.5
179.07050	1.6
187.07559	2.9
191.06993	2.2
193.08627	6.1
199.11183	1.8
201.09102	5.3
203.10725	7.6
205.08635	7.6
205.12251	1.7
207.10110	12.2
209.08023	7.5
211.11154	5.6
213.09021	1.6
215.07011	1.7
217.12260	18.4
219.10071	2.9
225.12737	5.5
227.10635	2.5
229.12292	11.0
231.10109	22.5
239.10884	1.6
243.10214	1.7
243.13759	6.8
245.11679	3.0
251.42831	1.4
253.12178	9.7
257.11725	6.5
259.13223	2.8
267.17410	2.9
269.15295	2.3
270.12531	2.5
271.13348	9.8
271.16910	20.2
271.19846	2.2
285.18564	6.1
289.14188	2.5
295.16785	6.5
313.18021	22.8
313.21429	2.1
331.15607	4.8
331.19009	100.0
331.22559	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	331.1903
Annotation	Carnosol
Peak:m/z	Relative Intensity
81.07050	0.9
83.04977	0.9
93.25590	0.7
95.08581	0.9
97.06511	2.9
99.08110	1.1
109.06473	0.8
109.10149	10.1
110.97541	0.9
124.92962	0.7
136.98529	0.9
137.02431	0.9
137.09610	7.5
145.06474	3.0
149.09549	0.9
151.11168	7.6
154.91368	0.9
163.07527	13.1
165.09135	1.1
177.05487	1.6
179.07030	32.8
179.10556	5.7
187.07469	1.5
189.04013	0.9
201.09085	1.0
203.07111	0.9
219.10185	5.5
225.12552	1.0
229.12254	1.7
243.13762	1.4
245.11679	1.7
253.12177	1.2
271.13293	1.6
271.16254	0.9
289.14346	9.6
331.19016	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
57.03433	3.5
57.07082	100.0
66.12160	1.8
67.05518	19.6
67.05826	1.8
69.07059	16.1
71.08633	66.3
78.39386	1.9
81.07056	28.0
83.08616	24.9
85.10178	38.7
88.07624	11.5
95.08595	42.0
97.10159	14.9
97.64262	2.0
102.09097	2.4
106.08665	4.8
109.10184	21.6
123.11687	13.8
127.75465	2.0
137.13203	2.3
170.30981	2.2
194.80724	2.4
203.19762	2.6
205.59689	2.1
239.23654	35.4
257.24744	4.9
313.27386	89.7
313.32965	5.0
331.33966	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05509	6.3
57.03439	5.7
57.07080	100.0
57.70337	3.7
67.05504	9.7
69.07055	17.1
71.08634	80.6
71.32578	3.6
78.24813	4.1
81.07047	45.6
83.08614	19.7
85.10191	53.2
93.07070	4.6
95.08598	59.6
97.10159	6.6
97.16520	4.2
109.10162	18.7
123.11722	8.0
151.11139	5.0
179.07098	8.6
239.23676	53.9
313.27341	79.5
331.18930	44.9
331.33975	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	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05506	7.3
56.21246	1.4
56.85997	1.9
57.03426	8.8
57.07082	97.4
67.05511	16.7
69.07059	16.2
69.39633	1.7
71.08630	92.3
75.04457	2.2
78.79729	1.9
78.92441	1.9
81.07059	33.5
83.08624	26.2
85.10186	35.1
88.07624	1.9
93.07058	3.3
95.08600	50.9
95.09200	2.1
97.10160	16.0
98.98450	2.9
109.10153	24.9
123.11701	10.6
128.17949	1.8
137.13225	2.9
156.62848	2.0
221.22749	2.5
239.23666	42.8
257.24759	3.0
313.27341	100.0
331.15332	2.6
331.19092	3.3
331.34076	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	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05517	7.5
57.03436	8.6
57.07083	100.0
57.28426	1.5
62.71291	1.5
67.05515	26.2
69.07077	14.6
70.06562	2.3
71.08261	3.0
71.08636	75.9
71.26284	1.9
75.04431	2.1
81.07058	38.2
82.95757	1.8
83.08620	26.5
85.10188	45.0
88.07624	8.9
94.68136	1.8
95.08604	57.1
97.10180	13.7
106.08646	6.9
109.10149	28.5
123.11704	11.4
130.28421	1.6
137.13216	2.0
164.73360	2.3
239.23674	40.1
257.24731	3.5
294.72910	1.9
313.27377	84.5
313.32938	8.1
331.19135	10.0
331.34006	80.6
331.37891	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	332.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78972	0.6
56.96567	13.3
84.96064	0.7
98.97584	46.2
112.99126	4.1
116.98621	11.1
119.48367	0.8
124.99112	35.6
131.00172	1.1
138.96971	0.7
139.00702	0.7
141.02246	3.0
143.00163	34.6
151.00681	4.4
152.98593	25.3
158.99644	1.0
159.03302	1.3
161.01234	6.2
167.00090	5.7
168.98097	1.1
169.01736	11.1
170.99641	48.5
173.01231	1.1
173.41150	0.8
176.98549	0.8
185.01219	41.2
186.99164	8.5
187.02788	3.4
189.00706	16.8
194.99637	8.6
196.91098	0.7
203.02292	14.9
205.00284	1.3
213.00688	29.8
231.01741	37.9
245.03368	1.4
249.02794	34.7
263.04160	0.7
267.03888	13.5
273.02817	7.7
285.04953	3.1
291.03845	100.0
309.04910	82.9
327.05966	1.4
332.06604	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.88959	0.7
56.96568	0.8
57.03440	7.3
61.02914	0.9
69.03443	6.8
71.01334	1.2
71.04994	3.5
73.02901	3.7
81.03397	5.3
85.02901	15.9
86.03684	5.8
87.04464	4.6
90.07699	0.9
97.02898	3.7
97.96795	1.3
98.97556	2.0
99.04455	3.5
100.05231	5.2
104.10732	3.4
106.06555	4.6
108.08118	100.0
109.02874	9.6
110.01279	1.3
110.03181	1.1
123.06828	3.7
124.07591	6.6
126.02559	1.2
127.03922	6.4
134.06026	7.1
135.03081	2.1
135.53241	1.1
136.07576	13.6
138.02512	1.2
143.00122	1.3
144.03609	4.8
144.53752	1.3
145.04953	1.1
146.02258	1.0
147.03085	0.9
151.53485	0.9
152.07069	76.8
153.04167	1.5
153.54413	0.9
154.03851	1.6
155.02827	1.3
160.03836	2.0
163.04369	3.6
164.03432	1.0
167.04614	1.3
169.04398	1.9
169.54582	3.0
170.08096	4.4
172.04932	1.0
173.01234	1.0
175.54604	0.9
177.04163	2.1
177.54330	1.0
178.04964	4.7
178.55049	1.0
182.99648	1.6
184.04906	1.6
189.04105	1.8
189.54396	1.6
196.04909	1.5
198.04660	3.6
198.54803	3.8
201.00661	1.8
205.05556	1.1
205.55412	1.0
213.00496	1.0
214.05989	4.9
214.56096	6.0
215.02177	1.2
223.06508	12.4
223.56656	10.3
232.07045	11.0
232.57187	13.5
233.03334	2.0
243.57651	1.0
251.04268	6.4
252.04683	3.3
259.50854	0.9
269.05289	6.9
270.05728	1.2
292.04581	1.8
293.05194	1.4
308.07077	0.9
310.05621	1.6
311.09900	17.3
311.60083	68.1
312.10239	3.4
314.08676	1.2
314.12366	24.7
321.10184	1.8
332.13416	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03433	2.4
61.02925	5.4
62.19311	2.1
63.84005	2.2
68.59078	2.0
69.03430	18.1
73.02915	2.7
81.03414	4.9
83.92006	2.1
85.02901	100.0
86.09689	4.4
86.13716	2.4
91.03952	4.3
97.02895	20.4
99.04447	4.6
107.04948	37.9
107.12935	2.8
108.08098	10.8
109.02882	4.4
114.17893	2.3
124.07630	2.3
127.03915	25.5
145.04936	35.8
152.07057	15.3
153.05441	11.9
163.05966	9.3
170.08095	11.5
180.08669	24.3
185.19264	2.5
190.17407	2.8
191.62439	2.2
219.06468	9.4
226.18054	2.5
233.44046	2.9
278.75925	2.4
289.26498	2.4
332.13361	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	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25080	1.3
57.03433	5.5
61.02925	6.4
67.56219	1.0
68.11179	1.1
69.03432	10.9
69.47120	1.3
71.04963	1.5
72.08132	4.5
73.02906	5.3
74.06097	1.7
81.03407	2.9
85.02905	100.0
86.58771	1.2
87.04474	1.8
89.93047	1.2
90.90472	1.2
91.03946	5.0
92.71059	1.1
97.02897	24.7
99.04455	4.7
101.07143	1.4
107.04266	2.3
107.04951	50.1
109.02869	8.6
127.03914	18.8
135.08060	24.8
145.04953	28.2
153.09123	2.5
157.37448	1.4
163.06029	6.1
164.05324	1.4
171.08069	2.5
173.05978	7.9
173.09673	2.4
173.12828	9.0
180.08647	5.2
183.08055	2.3
193.08617	2.0
199.07436	1.8
201.09142	6.7
201.12352	5.4
219.10153	23.0
243.10168	9.0
261.11200	17.1
279.12137	2.9
332.16953	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	332.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01863	2.3
57.03440	2.4
61.02918	6.1
67.19197	2.3
69.03423	10.4
69.12840	2.3
69.25974	2.5
71.04972	3.7
81.03424	3.2
84.24706	2.5
85.02903	100.0
90.53049	2.2
91.03957	5.0
97.02893	23.4
99.04423	3.5
107.04950	51.2
108.08102	9.8
109.02866	5.4
127.03944	21.3
135.08070	25.2
145.04971	33.0
152.07184	3.3
153.09081	4.9
163.06032	10.6
170.11760	4.5
173.05951	3.1
180.08578	21.7
219.10136	36.9
243.10193	4.7
261.11237	16.5
279.12320	4.7
315.10544	2.6
315.14429	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	333.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86566	1.3
55.17599	1.2
56.96559	1.2
67.90103	1.3
74.09715	36.0
74.21578	1.3
78.70506	1.4
92.17817	2.0
98.97570	22.5
116.98596	9.2
118.08570	1.5
118.42548	1.5
138.96825	1.6
157.03419	2.5
161.04053	5.5
174.97630	7.1
175.05634	3.4
175.15564	1.4
192.07074	2.8
192.98781	3.4
193.05496	9.8
198.97629	24.5
211.06621	2.6
212.99219	15.8
216.05429	94.6
216.96594	2.3
216.98694	66.4
217.00697	2.8
224.99136	2.8
231.00177	30.9
232.96600	1.6
234.06485	24.9
234.99744	16.8
235.07710	19.0
243.00285	17.8
249.01167	6.6
251.04491	2.0
253.08884	1.6
255.00238	14.5
259.99512	1.8
261.01389	2.7
273.01270	100.0
291.02313	53.6
295.95853	1.7
309.03375	5.2
333.03546	8.9
333.09082	8.3
333.13223	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
51.37421	0.4
57.98755	0.4
65.68275	0.6
67.75378	0.4
73.40554	0.5
75.68224	0.5
85.02893	3.4
95.08596	3.4
97.02860	0.8
105.41033	0.5
107.08594	0.7
109.02873	1.1
109.10159	0.6
111.00778	1.9
113.09617	2.3
121.06473	0.5
127.03933	0.6
127.11191	0.6
135.08002	0.5
135.11646	1.1
137.02351	0.8
137.23996	0.5
139.03917	5.6
140.04716	0.6
145.02850	1.0
153.01793	8.5
153.12717	1.1
155.14445	0.5
157.01076	1.8
165.01833	4.3
166.02559	0.5
166.28297	0.5
167.03377	2.5
167.06963	0.9
171.13792	3.1
177.05464	2.3
179.03374	0.6
183.02861	0.8
193.04930	1.1
199.03751	1.1
213.14973	0.6
217.04932	2.5
219.02672	1.3
224.35521	0.5
231.06567	0.8
244.03699	0.7
245.04436	6.6
259.06009	2.2
261.66473	0.6
273.03891	8.0
277.07056	2.5
287.05386	2.5
289.03287	3.7
290.04190	2.5
297.18616	0.8
301.03415	10.8
304.05661	1.0
313.07489	0.5
315.05258	0.5
315.19507	0.8
318.03659	25.3
333.06000	100.0
333.20203	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	333.0604
Annotation	Nidifocene
Peak:m/z	Relative Intensity
55.66716	0.3
86.30800	0.4
95.08584	0.7
100.52312	0.5
125.02343	3.9
131.08621	0.5
137.02325	0.7
139.03816	0.4
141.05490	1.5
151.03917	1.9
153.01787	3.9
163.57843	0.4
165.01797	2.1
167.03395	9.6
168.93320	0.5
179.03386	6.2
180.04105	0.8
192.14825	0.4
193.01263	0.5
197.04448	3.2
209.04456	2.1
226.40410	0.5
231.06532	2.2
259.05966	7.4
277.07190	0.7
286.04797	0.5
287.05484	8.5
304.05768	4.0
315.04904	2.0
315.15808	0.5
317.05609	0.5
318.03830	0.6
333.06003	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	333.0604
Annotation	mearnsetin
Peak:m/z	Relative Intensity
50.39997	0.3
54.58647	0.4
57.09968	0.3
59.21779	0.4
69.03421	0.4
69.07071	0.5
69.25465	0.4
75.51124	0.4
75.91777	0.3
77.72552	0.4
78.68148	0.4
81.07056	0.8
81.55154	0.4
83.69377	0.4
91.05479	0.7
93.07024	0.8
95.04966	0.5
95.08578	1.6
97.06495	0.4
99.37737	0.4
105.07036	2.1
107.08569	0.5
109.06507	0.8
109.10148	0.7
119.08524	1.7
121.06449	0.7
121.10100	0.6
123.08046	0.7
125.02359	3.1
125.05909	0.4
131.08591	0.6
133.10089	1.0
135.08051	0.5
137.02376	0.5
137.05971	0.9
139.03926	0.8
141.05513	0.6
145.10106	1.0
149.09605	0.7
151.03896	1.8
153.01808	4.1
157.10110	1.5
159.11646	0.8
161.09644	0.8
165.01802	2.7
165.05417	0.5
167.03403	9.1
169.10184	0.6
171.08046	0.6
171.11769	0.5
173.09570	0.6
173.13191	0.6
175.07501	0.6
179.03354	5.4
180.04257	0.6
185.13184	0.4
197.04436	2.3
197.13249	0.8
199.11256	0.8
203.07106	0.4
209.04509	0.6
213.12686	0.5
223.14989	0.5
231.06540	2.5
235.06097	0.7
243.06795	0.4
251.14250	0.5
259.06033	6.9
261.11194	1.0
269.18945	0.7
277.07104	0.7
287.05453	7.9
297.18417	1.6
304.05777	2.2
315.04974	2.2
315.16171	0.6
315.19501	3.5
318.03702	1.9
333.06030	100.0
333.16959	3.3
333.20569	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	333.1158
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
51.40872	0.5
55.35748	0.5
56.29601	0.5
60.04506	0.6
60.74015	0.5
62.19774	0.6
72.08142	2.6
77.71848	0.5
81.04129	0.6
84.04493	0.6
85.02898	1.1
86.09692	3.5
98.97583	0.6
108.08121	2.5
109.08439	0.9
129.10245	0.9
152.07059	1.0
153.05289	1.2
153.07355	0.9
155.11888	0.6
163.06288	0.6
164.07056	0.9
166.01202	1.3
171.06265	64.5
173.12941	0.6
185.04265	7.0
207.02710	0.7
209.06804	3.0
212.01730	1.0
221.05057	1.0
234.98950	0.9
261.08389	0.7
266.64331	0.7
287.11249	0.8
316.06717	1.1
333.11566	100.0
357.16251	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	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	0.5
61.62841	0.5
62.69083	0.6
82.22776	0.5
82.64447	0.5
101.13400	0.6
119.04929	0.6
120.34129	0.6
123.04390	6.3
124.04745	2.3
139.03912	7.3
140.04253	3.1
147.04408	2.5
148.04701	1.0
156.55020	0.6
162.06261	0.6
162.13689	0.5
163.03867	3.5
165.05490	2.9
171.09952	4.2
181.05026	1.0
181.06754	0.9
208.06859	0.6
219.35320	0.6
292.09024	3.4
315.13211	0.8
333.15167	100.0
356.16293	0.7
359.43344	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	333.1669
Annotation	Spectinomycin
Peak:m/z	Relative Intensity
51.59351	0.7
51.96881	0.7
54.18534	0.8
56.05031	2.0
58.55701	0.9
60.05646	1.1
65.67314	0.8
68.33768	1.0
81.07034	1.1
90.61861	0.9
92.17743	0.9
93.07043	1.2
95.08599	1.2
107.08562	1.9
107.83994	1.0
111.05557	2.3
113.07105	1.7
120.86920	1.0
125.87764	1.0
132.04451	8.2
134.05995	2.0
135.11642	1.0
140.08195	2.1
153.01869	1.7
159.08130	0.9
164.07034	1.6
173.09665	1.1
179.08344	1.2
181.10138	1.3
202.09752	1.3
230.09314	6.2
232.10742	1.0
242.09225	1.8
245.09196	20.8
259.11874	60.9
284.11368	13.3
291.14508	81.0
301.03360	1.8
302.12460	45.3
315.19333	1.7
316.14093	2.0
318.03714	5.7
333.06003	24.5
333.16708	100.0
333.20355	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	333.169
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
52.64934	1.6
55.05506	2.6
57.25332	1.7
67.05460	2.6
69.03404	4.8
79.05493	2.8
80.00941	1.8
81.07039	4.0
83.04967	12.9
91.05437	2.6
93.07021	3.7
94.22979	2.3
95.04952	3.3
95.08578	3.7
105.07008	12.7
107.08569	3.4
109.06502	4.9
112.63719	1.9
117.07000	4.0
119.08530	15.4
121.06499	7.2
121.10152	21.6
123.08041	9.9
125.68517	2.0
129.06996	4.2
131.08548	4.2
133.06485	3.3
135.08031	4.4
141.06938	2.3
143.08546	10.6
145.06479	2.4
145.10074	2.1
147.08057	8.1
149.05920	4.3
155.08508	12.7
157.10103	12.5
159.08026	10.2
161.09584	3.2
163.07463	3.5
165.06940	2.6
165.09099	3.6
166.33334	2.5
167.08575	14.8
168.69467	2.0
169.10092	9.2
171.07933	3.7
171.11679	3.4
173.09613	2.8
177.09122	14.4
178.07727	5.1
179.07050	80.7
179.08536	10.8
179.10637	2.2
180.09239	4.2
181.10092	9.1
183.08092	4.5
183.11665	10.8
185.09639	16.1
185.13223	2.7
189.09151	2.5
191.31685	2.2
193.10130	16.0
194.10822	10.4
194.96466	2.5
195.11687	8.1
196.08752	3.9
197.09563	12.7
199.11232	4.1
199.14932	2.6
201.09114	2.3
204.09377	3.9
209.09488	2.7
209.13232	18.0
211.11159	66.3
212.11916	4.5
213.12645	4.9
219.10051	3.5
222.10410	7.8
225.12785	4.2
227.14255	23.3
229.12233	4.9
237.12695	28.5
255.13779	79.2
273.11819	3.8
273.14819	95.8
291.16061	2.9
333.16934	13.2
333.20538	100.0
333.24570	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	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.78276	1.9
55.01871	1.9
57.03432	2.7
57.07077	14.7
59.05012	7.3
61.02908	9.2
67.05488	3.5
69.03437	19.1
69.07040	10.2
71.04990	4.5
73.29844	1.8
81.03409	8.8
83.08613	3.1
85.02898	76.1
85.06525	9.0
91.03924	3.7
93.06982	2.8
95.08021	3.8
95.08598	60.4
97.02892	23.8
97.06526	2.8
99.04381	2.0
99.08073	10.9
102.33772	2.1
107.08566	4.4
107.81779	1.9
109.02866	9.5
109.06494	8.1
109.10155	14.0
111.08068	8.6
111.11646	2.2
113.09641	71.4
119.08438	2.3
127.03892	19.0
127.11175	36.4
135.11662	15.7
137.09656	2.2
139.03865	2.1
145.04967	19.2
153.01813	8.8
153.12732	68.1
155.14258	16.8
165.01735	2.8
171.13792	55.1
200.16992	2.5
213.14789	8.4
221.88420	2.1
273.03827	3.2
287.05505	2.5
301.03397	8.1
301.11780	2.6
318.03613	22.4
333.06003	100.0
333.10086	3.2
333.19009	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	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
67.16862	1.1
68.13874	1.1
115.83557	1.3
120.44572	1.2
251.48169	1.2
269.10526	1.8
315.19196	14.4
333.20337	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04573	0.9
60.53916	0.8
61.07285	0.9
63.73448	0.8
91.05463	1.2
99.64690	1.1
104.32980	1.0
114.55152	1.1
120.60899	1.0
135.07961	1.3
151.40611	1.1
180.09444	1.2
211.11121	1.7
227.14314	1.3
255.13795	2.1
269.10648	2.0
273.15024	2.1
303.50046	1.0
308.36203	1.1
326.78290	1.0
327.30685	1.2
333.20337	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61944	0.7
69.40862	0.7
79.05453	1.1
81.03391	0.7
81.07027	1.4
91.05476	1.4
93.07036	1.9
105.06986	1.8
109.02884	3.4
119.08587	1.5
127.03935	1.2
133.10144	1.9
133.81232	0.8
134.26143	0.8
147.11610	1.2
157.10068	0.9
159.11705	1.6
212.96915	0.8
269.10840	1.0
333.20358	100.0
333.23969	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41207	0.6
57.07057	0.6
67.05504	1.3
70.94593	0.6
75.75086	0.8
79.05515	0.7
81.07061	1.4
91.05441	0.9
92.17949	1.3
93.07040	1.5
95.08635	0.7
105.07054	0.9
109.02881	1.3
109.10175	0.9
119.08580	3.7
121.10084	1.1
135.11714	1.1
147.11729	0.9
173.13182	0.9
219.19238	0.8
269.10486	0.8
333.20380	100.0
333.24164	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68087	1.0
55.28439	0.9
64.23885	1.1
66.91371	1.0
73.73605	1.1
81.03407	2.3
81.07051	2.0
91.05476	1.3
92.81092	1.1
95.08636	1.2
109.02861	7.0
114.36806	1.1
127.03889	1.6
130.84560	1.1
131.08540	1.5
136.35553	1.0
255.13736	1.9
262.39987	1.2
269.10544	2.0
333.17114	4.4
333.20340	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50943	0.9
55.81369	0.9
71.23835	0.8
78.62469	0.9
89.63847	1.0
98.41924	1.3
133.10152	1.0
141.65373	1.3
150.93497	1.2
160.33559	1.1
269.10535	8.0
287.11761	1.2
311.82050	1.1
333.20361	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73287	1.3
57.00529	1.5
59.08115	1.4
59.84986	1.4
63.59581	1.2
67.05420	1.3
67.54705	1.4
85.42970	1.3
151.56219	1.6
319.21484	1.4
333.20340	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91822	0.8
57.46773	1.0
63.34975	0.9
69.90462	1.0
92.18460	1.2
109.68333	1.2
121.10130	1.1
146.22923	1.1
179.07025	2.1
313.58893	1.2
315.19226	2.0
333.20343	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	333.2059
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
55.05492	1.3
57.67525	1.1
60.04509	1.6
61.82249	1.2
63.45657	1.2
67.82639	1.2
69.07060	1.3
81.07069	1.7
93.07021	2.6
95.08612	1.9
101.29094	1.2
105.03402	1.4
105.07043	1.4
107.08566	5.6
109.06529	1.7
109.10152	1.9
113.64971	1.5
119.08549	2.7
121.06409	1.9
121.10116	6.0
123.08078	1.4
133.10103	1.7
135.11674	1.4
137.09601	2.5
145.06558	1.4
147.08002	2.3
149.09593	6.0
157.06436	1.4
157.10086	2.5
159.08080	10.1
161.09627	2.2
163.07507	1.4
163.11153	5.5
171.08040	3.0
173.09619	1.7
179.07001	6.6
185.09622	6.2
187.11124	1.8
189.09041	1.7
189.12715	1.7
191.10550	1.5
199.11253	1.7
201.12717	13.7
203.10533	4.9
211.11024	1.9
213.09035	6.1
213.12698	10.1
215.10645	6.4
217.12360	2.0
227.14290	10.0
229.12212	12.4
237.12700	6.8
239.10713	1.5
241.12216	2.8
241.15895	5.1
243.13757	1.8
255.13791	12.7
257.15479	1.7
258.02118	1.3
259.13086	1.6
269.14954	1.5
269.18988	15.4
273.14865	2.9
279.17377	1.9
287.19995	2.3
297.18604	18.5
315.15942	2.6
315.19510	38.5
333.05984	1.8
333.17065	6.4
333.20557	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	333.2058
Annotation	Nb-Desmethyl-meso-chimonanthine
Peak:m/z	Relative Intensity
77.21210	0.6
91.07671	0.6
95.08605	1.1
108.70856	0.6
121.10129	21.9
139.11189	3.0
145.06509	1.0
163.07536	4.7
165.09044	1.5
166.14558	0.7
171.08037	0.6
177.05476	0.9
177.09116	1.5
179.07021	100.0
179.10518	3.4
187.07526	1.6
189.09346	0.6
192.33530	0.7
195.10068	1.1
195.43576	0.6
203.10777	0.8
205.12303	1.3
213.12865	0.7
219.10052	4.6
221.11740	1.0
229.12239	8.5
237.12767	1.1
243.13914	1.0
243.75583	0.6
255.13734	0.8
291.15906	6.5
297.18600	1.2
333.20575	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	7.5
77.26894	1.8
78.47162	1.9
80.33704	1.7
84.96032	3.8
98.97575	30.3
112.99104	2.7
116.98606	17.8
124.99074	4.5
128.98621	2.6
131.00166	3.7
134.99649	3.4
139.00764	2.0
143.00160	11.4
151.16570	1.6
157.01723	8.9
158.99672	4.4
161.01212	2.9
173.01207	7.2
175.02710	3.2
177.00737	3.7
191.02307	2.7
233.03313	9.5
240.63138	2.1
246.02397	2.0
249.68027	1.8
251.04382	71.8
269.05432	92.3
274.97333	8.8
287.06497	9.9
293.05383	57.5
311.06458	100.0
334.07874	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	334.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.0
62.90819	0.6
71.10928	0.5
74.66198	0.6
84.40157	0.7
84.96031	3.2
92.36049	0.6
97.96790	0.9
98.97581	34.2
109.17892	0.6
110.97581	4.9
112.99123	3.8
116.46924	0.5
116.98613	11.0
118.08578	0.7
124.99107	5.7
128.62897	0.6
128.98622	2.9
131.00166	6.0
134.99637	1.2
136.99071	0.7
139.00671	4.2
140.98608	4.4
143.00166	12.1
149.01239	3.5
155.00204	2.9
157.01721	9.7
158.99644	9.8
161.01244	3.7
173.01219	8.1
175.02808	3.2
177.00705	3.9
181.98759	0.9
182.99670	1.2
191.02258	3.4
194.05727	0.6
201.00740	1.1
215.02293	2.3
217.05835	0.9
219.01733	3.5
232.00284	0.8
233.03305	15.3
251.04369	93.5
269.05426	82.5
274.09537	2.3
274.97415	1.2
287.06476	6.1
292.11041	1.2
293.05429	67.8
301.98621	0.7
311.06473	100.0
324.31552	0.6
329.07571	3.9
332.52811	0.6
334.08087	3.4
334.13531	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	334.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13760	0.9
57.89936	1.0
59.49488	1.1
66.21064	1.1
83.45592	1.1
94.23469	1.0
95.12223	1.0
119.04959	1.4
123.04426	33.4
127.07557	1.8
131.65582	1.1
135.04459	1.9
139.03911	15.6
147.03409	1.4
147.04437	18.3
151.03902	96.3
155.07016	2.3
163.03842	7.9
165.05450	11.1
173.06010	2.4
181.04990	11.3
193.04932	7.5
207.06503	5.3
217.08594	1.6
285.07584	5.2
303.08621	100.0
314.11557	1.1
334.21350	1.3
337.76227	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.2
69.03436	4.9
72.82477	0.6
83.78997	0.7
85.02902	21.7
85.19622	0.8
91.03965	1.5
91.05466	3.1
97.02888	7.2
109.02889	1.1
119.04935	3.0
127.03889	4.5
137.05972	100.0
145.05005	6.8
155.07028	9.9
163.05984	0.9
172.09621	0.9
179.07069	1.1
180.08624	6.8
204.81453	0.8
218.70326	0.8
221.08080	1.0
263.09204	1.0
300.85019	0.8
317.12369	1.0
334.14893	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06871	0.7
56.95797	0.7
61.02925	2.1
63.19088	0.7
69.03424	4.1
71.04996	0.9
72.04484	0.8
73.02898	1.0
85.02904	27.4
91.05471	4.1
97.02895	7.6
101.34802	0.8
109.02874	1.8
116.50536	0.9
119.04942	2.1
127.03921	5.4
137.05974	100.0
145.04930	7.4
151.07553	1.0
154.19997	0.9
155.07030	11.5
165.05447	0.9
172.09741	0.9
179.07028	1.7
180.08682	6.7
183.49559	0.8
220.30028	0.9
235.46310	0.8
263.09067	1.3
281.10086	1.9
334.14990	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95058	0.5
61.05719	0.6
69.03424	0.8
70.06566	0.8
75.37868	0.5
78.98322	0.5
81.03435	0.7
85.02917	4.6
86.09700	0.8
92.18494	0.6
97.02872	1.1
110.06042	7.6
121.24963	0.5
122.03606	1.0
123.04406	2.2
124.04778	1.2
124.07565	1.1
127.03929	2.0
128.07083	0.9
137.05975	100.0
153.05466	0.6
154.08611	2.7
155.07048	0.9
163.03906	1.2
164.04227	1.2
166.05739	0.6
171.35208	0.5
172.09663	5.9
179.17427	0.6
180.08609	1.0
187.14386	0.9
251.04401	1.0
269.05417	3.0
279.62939	0.6
293.05426	0.7
311.06528	2.9
316.08847	0.6
334.13513	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
59.63902	1.6
65.40421	1.7
67.05486	4.4
69.07060	2.2
71.08608	9.0
72.04137	2.0
72.04519	36.1
73.56862	1.6
81.07066	4.1
88.01885	1.8
93.07015	8.5
95.04929	4.1
95.08585	14.0
99.08060	3.4
105.07031	3.6
107.08570	8.5
109.06511	7.6
109.10142	2.6
114.09138	7.4
117.37767	1.8
121.10157	2.6
128.10751	6.4
133.10129	9.8
135.08046	2.0
147.11653	2.2
149.13219	2.4
165.12741	74.5
173.13306	2.7
182.15379	7.8
191.14293	4.2
212.16431	4.0
220.16902	2.8
229.19383	2.3
236.20052	17.0
251.04294	3.1
257.63977	1.8
289.21765	2.2
316.26419	3.9
334.27393	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	334.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	4.1
57.07062	3.3
58.06602	8.8
58.88375	0.6
60.04527	0.7
70.06573	0.6
70.74260	0.5
71.08633	2.1
74.06093	5.9
86.06077	7.7
88.07628	20.7
100.07606	0.7
104.07095	5.6
118.08651	1.0
132.10225	6.4
162.11200	2.9
166.10715	3.2
182.97736	0.7
202.66165	0.6
242.24773	53.5
248.36444	0.6
254.24792	2.4
286.27332	17.5
316.28561	0.9
334.29495	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39628	0.6
56.05027	5.1
57.07068	3.4
58.06603	8.8
60.04508	1.7
60.88881	0.8
68.05002	0.9
71.08613	1.6
74.06067	5.8
75.77451	0.8
86.06049	9.3
88.07629	22.2
100.07570	1.0
104.07069	6.1
106.44869	0.8
118.08663	1.1
132.10196	5.1
140.56252	1.0
162.11215	5.1
166.10742	4.1
166.76884	1.0
242.24748	57.6
286.27359	17.5
316.28543	1.4
334.29486	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.7
57.07065	1.8
58.06602	7.2
60.84663	0.8
61.44397	0.8
69.13668	0.9
74.06069	4.1
86.06072	7.8
88.07631	17.9
94.15251	0.9
104.07083	4.6
118.08646	1.7
132.10201	6.6
155.78394	0.9
162.11217	1.0
166.10724	1.3
176.29398	0.9
183.50751	1.0
242.24754	44.8
242.27173	1.9
286.27390	20.2
316.28589	1.0
334.29495	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.8
57.07066	2.5
58.06598	8.0
62.45984	0.5
63.03815	0.5
71.08621	1.4
72.08140	0.9
74.06093	6.1
75.04454	0.7
86.06053	6.9
88.07632	20.5
89.06043	0.7
100.07630	1.3
104.07124	4.9
118.08693	0.9
118.13776	0.7
132.10217	6.1
151.73332	0.7
162.11235	4.7
166.10739	3.7
210.22249	0.9
230.15788	0.6
242.24773	52.0
254.24768	0.8
258.68839	0.8
286.27380	18.0
316.28491	2.9
334.29507	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	3.8
58.06601	6.5
59.37165	0.7
60.04494	1.0
71.08597	1.1
74.06059	5.7
74.42820	0.9
80.00388	1.0
80.16500	0.9
86.06056	8.6
88.07621	19.1
104.07070	4.6
118.08640	1.1
132.10226	6.9
162.11273	3.3
166.10669	3.7
172.96268	0.9
225.58191	0.9
242.24756	55.1
254.24794	1.3
286.27393	17.5
316.28348	1.2
334.29495	100.0
337.88135	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	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47207	0.6
50.78400	0.7
54.03476	0.7
56.05019	3.5
56.78681	0.9
57.07074	1.8
58.06592	6.4
66.87066	0.7
71.08619	1.6
74.06065	3.6
85.10166	1.0
86.06062	8.1
88.07629	20.5
88.08442	1.0
88.49292	0.8
92.17832	2.8
100.07619	0.8
104.07088	6.6
118.08649	0.8
132.10194	6.5
150.47847	0.8
162.11281	4.3
166.10742	3.6
242.24760	58.6
286.27350	17.4
293.38092	0.8
316.28439	1.2
334.29486	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.7
57.07065	1.8
58.06602	7.2
60.84663	0.8
61.44397	0.8
69.13668	0.9
74.06069	4.1
86.06072	7.8
88.07631	17.9
94.15251	0.9
104.07083	4.6
118.08646	1.7
132.10201	6.6
155.78394	0.9
162.11217	1.0
166.10724	1.3
176.29398	0.9
183.50751	1.0
242.24754	44.8
242.27173	1.9
286.27390	20.2
316.28589	1.0
334.29495	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	335.0423
Annotation	CCRIS 824
Peak:m/z	Relative Intensity
50.07179	0.8
55.05532	1.0
56.74338	0.9
60.50941	0.8
70.74779	0.8
72.93781	1.9
83.50242	0.9
85.83838	0.8
89.75689	0.9
90.94817	2.3
101.31709	0.9
116.97705	1.1
132.95819	6.5
144.95818	6.3
153.01718	1.0
156.99394	1.0
158.97398	22.2
168.95766	1.5
172.98929	8.1
175.00609	1.2
176.98395	5.1
186.96857	9.6
190.99960	2.3
200.98436	1.7
215.00000	16.0
216.97945	25.9
218.99522	2.1
227.00020	8.0
233.01169	7.5
234.98979	100.0
237.22890	1.2
241.01535	4.1
245.01053	2.1
253.00034	5.6
257.01031	2.2
317.00427	1.2
317.03159	38.4
335.04199	57.8
335.12357	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	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.80356	2.1
70.06592	5.8
85.02894	3.2
86.09666	3.5
98.97590	5.0
112.07619	4.8
113.03495	4.2
114.79151	2.8
128.07098	4.8
138.31717	2.9
158.99615	4.1
231.79544	2.9
235.06638	3.3
251.04312	4.4
267.76001	2.9
317.02582	3.6
326.89990	3.1
329.82858	3.0
335.07181	100.0
335.13632	5.6
353.09225	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	335.1127
Annotation	Pterolinus D
Peak:m/z	Relative Intensity
54.79056	0.2
64.61494	0.2
65.03943	0.2
66.45290	0.2
73.80007	0.2
79.05476	0.4
81.07066	0.5
93.03362	0.3
93.07024	0.4
95.08588	0.9
97.06517	0.3
105.07024	0.3
107.04951	0.4
107.08556	0.2
109.06522	0.3
109.10127	0.3
110.03677	0.3
111.04435	0.3
121.02879	0.4
123.08051	0.3
125.05956	1.1
130.45924	0.2
131.04898	0.3
131.08488	0.2
131.75650	0.2
135.04411	1.3
135.08112	0.2
137.05989	0.3
138.03136	0.5
139.03874	0.3
141.05457	0.9
145.02814	0.2
147.07954	0.3
149.05965	1.7
153.05458	100.0
159.04390	0.5
159.11674	0.3
163.03888	11.3
165.05444	2.4
167.03368	0.4
167.06975	1.3
173.06026	0.3
175.11461	0.3
177.05440	6.0
181.04895	0.2
183.06523	0.4
185.13040	0.2
191.07053	0.9
195.06519	4.9
196.09709	0.4
209.08055	0.9
289.11984	0.2
311.05609	0.3
317.10400	1.0
317.20950	0.4
335.07260	0.8
335.11069	4.9
335.14536	0.2
335.18686	0.7
335.22192	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	335.1125
Annotation	Pterolinus D
Peak:m/z	Relative Intensity
58.30696	0.2
69.07074	0.3
70.71324	0.2
91.05496	0.3
93.03384	0.5
93.07037	0.5
107.04951	1.5
110.03738	0.4
116.52541	0.3
121.02876	1.2
123.04396	0.4
125.02308	0.3
125.05986	1.5
131.04927	0.3
135.04408	6.2
135.11812	0.3
138.03128	1.0
141.05432	0.6
147.53430	0.3
149.05972	2.0
153.05460	100.0
159.04396	1.5
163.03871	8.8
165.05461	1.1
165.09117	0.6
167.07045	1.2
177.05463	2.7
183.06523	1.2
191.07008	0.5
195.06520	4.9
209.08171	1.2
219.00485	0.3
219.06570	0.4
223.04019	0.3
246.27232	0.3
249.13191	0.3
251.48570	0.3
317.10229	1.7
335.11224	5.3
335.22147	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67966	0.7
55.01655	0.7
55.01879	11.7
58.03238	0.6
74.25885	0.7
78.37139	0.8
80.09647	0.7
85.06529	0.7
88.26225	0.7
91.05435	1.0
93.06986	1.0
109.10127	1.0
122.06051	1.6
131.08459	0.8
150.05431	1.2
159.11720	0.8
168.06575	1.7
185.76047	0.8
199.08603	1.0
200.07135	0.8
200.10704	3.4
201.10204	4.9
201.12054	0.7
202.08606	0.9
213.10287	0.9
216.08800	1.5
217.09599	2.6
226.08537	1.6
227.08116	6.2
228.06496	1.3
228.10187	9.8
229.09734	5.8
230.08177	1.2
243.11217	9.9
244.08388	1.8
245.09221	8.7
247.10805	4.0
252.44858	0.7
254.08139	4.0
255.11201	0.9
256.09729	1.0
257.09161	28.1
258.10056	2.9
265.11847	1.4
266.07660	0.8
271.10764	16.1
272.09146	2.9
284.07944	0.9
289.11810	12.0
299.10214	22.2
305.14899	0.9
307.12949	5.1
317.11295	100.0
335.12308	51.4
335.15369	2.4
335.18634	1.8
335.22012	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	335.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
58.08531	1.1
64.26512	1.1
68.29932	1.2
69.03413	1.5
69.07091	1.3
70.37100	1.4
72.14782	1.7
81.07062	2.3
83.04974	1.7
85.02887	1.2
85.06521	1.4
85.35030	1.4
91.05460	2.1
93.22043	1.3
95.04976	1.9
95.08607	4.9
102.29364	1.2
103.91361	1.3
105.07025	2.1
107.08591	2.8
107.16829	1.2
109.10142	2.1
111.04452	1.3
114.84326	1.3
116.50396	1.3
119.08591	4.4
119.95967	1.2
121.10114	1.7
123.05634	1.2
123.08009	3.1
124.03934	5.2
124.07599	5.1
125.09587	1.4
131.08559	1.9
133.10072	2.0
136.07582	1.5
138.09142	43.2
140.07059	5.7
140.10698	2.1
143.08578	1.7
147.11607	1.4
149.09634	1.5
149.36693	1.3
150.05496	5.1
153.05472	7.9
153.12756	1.6
154.08658	10.3
157.10144	2.0
164.10690	1.8
166.04959	5.9
168.06543	18.2
173.13228	1.6
175.11194	1.4
192.10147	2.1
204.77260	1.7
214.12338	6.7
216.13644	1.5
231.14922	1.6
232.13312	3.0
241.13351	15.0
242.11716	10.4
243.15010	1.4
259.14407	79.1
260.12833	29.0
269.12881	2.3
271.14435	1.7
287.13895	26.7
305.14957	100.0
317.21390	1.7
335.15692	2.6
335.18881	5.1
335.22137	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	335.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82614	1.2
66.50170	1.3
67.05489	2.5
93.15211	1.7
95.08582	3.1
110.83508	1.5
131.92924	1.9
224.96567	1.5
270.05707	1.6
335.16138	100.0
335.21933	2.6
335.25223	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	335.1853
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
50.24981	0.5
51.44908	0.5
53.37589	0.5
57.13810	0.5
59.05015	1.0
62.52698	0.6
66.41772	0.5
69.80682	0.5
71.04981	1.1
85.31810	0.6
120.93002	0.6
124.61514	0.6
145.06473	1.0
169.10104	3.1
171.11703	0.9
172.08987	0.6
173.09604	0.8
183.11693	0.9
187.11168	1.1
189.09135	1.0
195.11661	1.2
197.09460	0.7
199.11215	0.9
211.11174	2.9
213.09129	1.4
215.10661	1.3
231.10208	6.5
247.13208	0.9
249.11250	6.9
253.15828	0.9
259.13342	2.6
267.17694	0.7
271.16913	2.4
289.17905	5.1
299.16458	1.3
317.17465	16.9
335.18503	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	335.1853
Annotation	epi-Juruenolide C
Peak:m/z	Relative Intensity
51.22092	0.3
54.72617	0.4
55.05514	0.5
59.04990	1.0
64.27489	0.4
67.05466	0.4
69.07047	0.8
71.04986	2.3
79.99138	0.4
81.07047	1.7
83.04924	0.4
93.07036	0.9
95.04949	0.8
95.08594	0.7
99.13246	0.4
101.06027	0.4
105.07021	1.0
107.08573	0.9
109.10113	0.4
110.86625	0.5
117.07010	0.4
119.08620	1.6
121.06575	0.6
121.10181	0.6
123.08027	0.8
129.07008	0.6
131.08553	0.8
133.10094	1.0
135.04411	0.5
135.08022	1.0
139.03873	0.6
139.09323	0.5
143.08580	0.9
145.06467	0.6
145.10149	2.1
147.11678	0.6
147.96332	0.4
149.09544	0.5
151.03870	0.5
155.08617	0.6
157.10109	2.6
159.08064	1.0
159.11708	2.4
161.06000	0.5
161.09589	1.0
163.11188	0.4
163.22311	0.4
169.10146	4.0
171.08057	0.6
171.11618	1.6
173.05957	0.7
173.09584	2.1
173.13174	0.5
179.10603	0.5
179.60477	0.4
181.10106	0.5
183.11650	2.7
185.09567	0.7
185.13188	0.7
187.07635	0.5
187.11195	2.8
191.07124	0.6
195.11720	2.8
197.09744	0.6
197.13249	0.9
199.11177	2.0
199.14742	0.8
201.09097	0.5
201.12791	0.9
203.10674	2.0
211.11200	2.3
211.14824	0.9
213.12738	0.9
215.10683	2.1
223.14636	0.5
225.16249	1.0
229.12285	0.9
231.10091	1.0
233.11601	0.7
235.14885	0.7
241.16168	0.5
247.13101	0.6
249.11212	9.7
253.15849	1.8
259.13336	0.8
269.18826	0.5
271.16922	2.3
281.15363	0.5
281.18958	0.4
289.17917	4.9
299.16437	1.5
299.19952	0.9
311.10849	0.5
317.17462	4.7
317.20999	1.9
335.18518	100.0
335.22116	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.51583	1.9
51.83162	2.1
55.05514	3.4
57.07066	4.0
62.20126	2.2
67.05495	3.7
69.07056	3.4
79.05480	4.5
81.07043	12.5
83.04995	2.5
85.06541	3.3
91.05434	3.4
93.07027	13.7
95.08610	20.2
97.06521	2.8
103.11369	2.6
105.07030	13.6
107.04942	3.2
107.08594	24.8
109.10163	21.5
119.08588	43.3
121.06478	16.7
121.10129	24.9
123.08062	10.8
123.11710	20.8
125.09595	3.5
131.08545	5.8
133.10092	23.7
135.08075	5.6
135.11668	16.7
137.09592	10.4
143.08565	4.6
145.10126	15.5
146.25122	2.6
147.08022	12.4
147.11682	13.9
149.09576	3.4
149.13257	2.8
153.05467	4.3
155.08565	14.3
157.10132	4.3
159.08032	6.0
159.11699	10.4
159.42767	2.8
161.09624	5.8
161.22523	2.9
163.11171	4.7
169.10149	13.7
171.11681	12.7
173.09560	10.7
173.13223	4.9
175.11148	5.2
175.14828	3.6
181.10107	4.0
183.11635	27.5
185.09491	3.9
185.13228	10.4
187.11124	11.1
189.12724	3.9
193.10065	5.0
197.13246	12.3
201.12669	10.7
209.39243	2.6
210.72826	3.1
211.11121	24.2
211.14781	2.7
215.14357	2.9
225.12680	5.5
228.46841	2.9
229.12248	24.7
241.19386	3.0
245.15529	2.8
253.19485	3.8
255.17441	3.6
257.18939	4.4
271.20654	10.7
273.18573	4.6
281.18961	12.1
289.21692	4.7
299.20078	46.5
317.17676	6.6
317.21069	54.9
323.12759	2.8
335.18573	12.5
335.22186	100.0
335.26254	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	335.2216
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.55661	2.1
55.05518	11.9
57.03438	15.8
65.25618	2.4
67.05510	62.7
69.07067	26.1
70.57328	2.5
79.05504	49.9
81.07061	81.8
83.01342	2.7
83.08620	5.5
85.02921	3.0
85.06532	5.2
91.05492	24.0
93.07039	63.6
95.04958	5.5
95.08607	47.5
97.06528	5.3
105.07027	19.8
107.08598	28.6
109.06552	3.7
109.10159	14.6
111.08055	19.5
117.07025	10.3
118.90520	2.9
119.08569	17.7
121.06506	5.3
121.10175	29.5
131.08549	18.8
133.10114	11.6
135.08049	3.6
135.11685	27.8
139.07547	35.2
145.10149	16.1
147.11732	5.5
149.13254	5.8
159.11673	25.2
161.09671	3.8
161.13310	4.7
163.11198	4.7
171.11737	3.4
173.13219	4.8
177.12781	17.5
187.11227	10.0
195.13777	4.7
205.12251	13.4
215.14281	3.8
243.21111	3.0
261.22125	4.1
271.20328	3.3
299.20023	12.2
317.21194	25.2
317.24423	3.1
335.22104	54.7
335.25848	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	335.2216
Annotation	CHEBI:68866
Peak:m/z	Relative Intensity
51.84579	4.5
57.07076	8.7
63.53515	5.7
66.93452	5.3
79.05462	6.5
81.07036	20.5
83.08649	4.6
91.05435	6.2
93.07042	31.3
95.08600	25.3
99.33624	4.8
105.07030	29.0
107.08583	26.1
107.75663	5.3
109.10154	33.6
114.97083	5.7
119.08597	54.0
121.06490	38.9
121.10147	40.0
123.08109	6.1
123.11703	12.1
129.07043	6.3
131.08545	8.1
133.10107	21.0
135.08052	5.8
135.11694	35.6
137.13345	5.3
139.11189	8.2
143.08566	13.0
145.10144	20.0
147.08014	6.8
147.11713	8.8
153.66310	5.2
154.59277	4.5
155.08528	11.8
157.10136	9.3
159.11694	24.1
169.10126	10.9
171.11661	11.6
173.09641	10.1
175.11162	10.6
175.14853	8.5
183.11697	38.3
185.09634	8.8
185.13138	6.3
193.10155	8.4
197.13301	6.4
201.12732	23.5
211.11165	46.9
211.14636	7.5
213.12830	7.4
229.12209	36.8
239.14066	5.9
253.19536	11.8
263.17862	5.5
271.20499	11.2
273.18307	9.8
281.19058	20.0
289.21747	9.9
299.20087	79.4
317.21036	100.0
335.22144	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
50.65786	1.2
55.05526	12.6
55.67872	1.4
57.03437	16.0
57.07054	1.5
61.40201	1.4
65.42745	1.4
67.05178	1.8
67.05510	40.4
67.46820	1.6
69.07064	11.4
69.62024	1.3
79.05504	15.2
81.07064	44.9
91.05451	9.7
92.17994	1.7
93.07042	33.1
95.08611	30.6
99.08117	1.5
105.07027	3.2
107.08598	12.7
109.10150	12.3
119.08556	6.6
121.10133	9.7
123.11686	6.9
124.29809	1.5
126.40897	1.6
131.08513	2.6
133.10109	2.3
135.11687	2.7
147.11696	2.2
151.88654	1.8
233.22487	1.9
238.82204	1.6
243.62587	1.5
330.83981	2.0
335.25763	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.05820	1.1
55.05510	6.2
57.03453	11.9
67.05513	30.3
69.07058	9.0
71.39371	1.4
79.05499	16.1
81.07060	39.0
83.08620	3.1
88.15788	1.4
91.05469	6.7
93.07047	22.0
95.08605	32.1
97.10143	1.6
105.07016	7.9
107.08589	17.7
109.10157	12.6
117.07011	1.8
119.08562	6.8
121.10149	10.8
123.11662	3.3
131.08553	2.3
133.10176	5.0
135.11697	9.9
145.10037	2.7
147.11670	2.4
149.13234	6.9
159.11687	3.2
161.13206	3.1
164.12463	1.3
173.13245	2.5
187.14830	1.6
189.16145	1.3
201.44218	1.2
210.09790	1.5
243.21077	2.1
244.45729	1.5
252.06155	1.2
261.22116	2.5
335.25787	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	335.2578
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
51.40842	1.2
55.05494	2.8
57.03421	8.2
67.05515	29.0
69.07052	6.8
71.53591	1.6
79.05492	17.1
81.07056	36.7
83.08607	2.0
91.05471	3.2
93.07039	20.8
95.04910	1.4
95.08604	29.4
97.10122	1.7
100.82219	1.4
105.07021	3.2
107.08578	13.7
109.10155	15.7
119.08556	6.6
121.10139	13.4
123.11673	5.7
128.80754	1.5
131.08542	2.3
133.10130	6.3
135.11702	10.6
137.13252	2.3
145.10114	2.8
147.11661	5.7
149.13187	3.8
159.11652	2.2
161.13219	3.1
163.14755	2.4
173.13240	2.3
182.80183	1.3
183.51903	1.4
243.21091	2.6
261.22089	2.9
264.96179	1.4
316.57056	1.4
335.25787	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	335.2581
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05504	1.6
61.82893	1.1
62.41891	1.4
64.64922	1.2
67.05505	9.2
67.46589	1.3
69.07062	8.5
70.25394	1.3
79.05490	3.0
81.07060	27.9
83.08614	3.1
85.06530	2.7
91.05477	1.7
93.07035	13.0
95.08597	24.0
97.06530	3.0
97.10166	3.5
102.76810	1.3
105.07030	9.7
107.08587	17.9
108.49713	1.4
109.06506	3.2
109.10167	18.2
111.08080	2.5
119.08564	7.6
121.10133	13.6
123.08027	6.0
123.11702	11.6
125.09592	1.5
127.07557	3.2
127.72913	1.3
131.08601	2.6
131.85078	1.5
133.10146	8.0
135.11700	14.5
137.09605	2.9
139.11136	1.3
145.10136	6.3
147.11688	9.7
149.09572	3.6
149.13258	6.5
151.11188	8.1
153.12717	2.1
159.11710	15.5
161.13271	6.8
163.11188	1.5
163.14854	2.8
173.13309	2.0
175.14828	5.4
177.12767	5.5
189.12804	1.6
191.14362	2.1
191.17995	1.7
193.15762	1.8
195.13947	1.8
201.16393	1.9
203.17953	1.8
221.15552	1.6
221.18913	1.9
281.22784	2.0
289.25308	2.3
299.23779	6.4
317.24713	30.8
334.69507	1.6
335.21906	100.0
335.25858	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.60541	0.7
67.05499	1.9
69.07052	3.6
71.08634	11.3
72.04195	0.9
72.04524	13.3
73.79950	1.0
79.05495	1.6
81.07044	4.8
83.08615	1.1
93.07027	4.4
94.40818	0.8
95.08594	5.0
99.08083	5.4
105.07055	1.3
107.08600	1.7
109.06517	2.7
109.10145	3.8
114.09145	4.2
121.10152	1.5
121.71075	1.0
128.10693	4.2
142.12320	1.4
147.11716	0.9
149.13240	1.1
156.13873	1.4
165.12741	8.6
168.13771	1.3
170.15407	1.0
175.14784	1.7
182.15395	1.1
201.61639	0.8
235.16919	1.1
238.21667	12.1
291.23129	7.3
318.27847	1.2
320.86639	0.9
336.28961	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	336.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
57.07083	0.6
57.17826	0.5
58.61707	0.5
64.64600	0.5
67.05486	4.2
69.07073	6.4
71.08261	0.8
71.08629	17.2
72.04517	6.6
78.20837	0.7
78.89902	0.6
79.05479	1.5
81.07063	7.2
83.08591	2.8
85.06525	0.8
93.07052	6.3
95.05003	0.8
95.08602	7.8
97.06503	1.4
97.10164	2.4
99.08082	6.4
105.07012	1.4
107.08571	4.2
109.06527	4.6
109.10148	3.4
111.08103	0.8
114.09173	1.0
119.08549	4.1
121.10116	2.5
123.11671	1.2
128.10715	2.6
133.10091	1.2
135.11679	1.4
137.09570	1.0
138.12796	1.3
142.12285	0.9
142.95163	0.7
147.11693	1.4
149.13246	3.2
151.11087	0.7
156.13878	1.0
159.11693	0.7
161.13243	1.1
163.14870	0.8
165.12756	12.1
170.15416	0.9
175.14888	2.1
176.50946	0.6
179.14294	1.4
182.15311	1.1
189.16478	1.0
193.15869	2.5
212.16479	1.2
230.71170	0.6
238.21602	8.2
291.23196	13.4
318.27722	1.0
336.28952	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	336.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	33.4
57.07072	21.1
67.05509	41.3
68.05837	3.6
69.07069	56.5
71.08612	9.9
79.05484	17.3
81.07062	74.7
83.08627	37.9
91.05461	4.3
91.39857	3.9
93.07041	23.2
95.08599	63.4
95.90225	4.5
97.06483	6.1
97.10158	32.8
105.07017	9.0
107.08583	15.8
109.10134	34.6
111.08075	5.6
111.11720	4.2
114.09158	4.6
119.08621	7.3
121.10119	7.0
123.11703	22.3
128.10756	6.4
133.10126	7.8
135.11717	17.1
147.11671	9.0
149.13283	4.5
161.13202	7.1
163.04196	4.8
166.56450	4.3
173.31726	4.4
194.33604	4.0
301.28851	19.1
319.29980	46.5
336.26434	29.3
336.32562	100.0
353.16501	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	336.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	22.4
57.07089	12.2
59.42067	7.6
62.17245	8.2
63.86019	8.8
65.70599	7.8
66.23650	8.4
66.85479	8.1
67.05500	63.0
69.07059	20.8
81.07059	53.0
83.08619	39.6
89.11446	9.0
91.06515	10.2
95.08600	62.6
97.10179	19.8
107.08609	14.1
109.10124	20.5
112.02180	11.0
114.66641	10.3
120.54356	9.1
121.10181	10.9
192.39876	10.0
195.59383	8.7
199.19725	8.8
200.16579	11.7
223.84970	8.8
280.47952	9.6
301.28802	14.2
319.29980	44.5
336.26111	20.6
336.32587	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	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
75.09341	1.3
84.86179	1.4
85.84971	1.6
103.00549	1.6
135.65143	1.6
146.73393	1.5
232.84000	1.7
328.23398	1.6
337.08835	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	337.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54977	0.2
84.04513	3.0
102.05536	1.6
118.06541	0.3
128.04945	1.6
130.05008	0.3
146.06009	100.0
148.03926	0.9
172.03923	5.8
291.09763	1.1
301.08221	2.8
301.11676	0.5
319.09485	0.4
319.12680	1.8
337.10248	1.0
337.13873	1.8
337.17612	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	337.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86810	0.6
55.05513	1.3
57.03434	0.9
57.86666	0.6
63.05961	0.6
67.05495	1.7
69.03416	0.8
69.07068	1.5
70.64175	0.8
71.04984	0.9
79.05489	1.6
81.07050	4.7
83.04980	1.1
85.06541	1.4
91.05474	1.6
93.07049	5.0
95.04982	0.9
95.08594	4.9
97.06496	1.3
99.04467	0.9
105.07024	5.5
107.08604	5.5
109.06529	1.1
109.10168	3.7
111.08110	0.9
117.07040	1.1
117.48807	0.8
119.08562	4.5
121.10136	6.1
122.05998	1.1
123.08063	1.0
124.07564	1.0
125.09643	1.5
131.08553	4.1
133.10138	3.9
135.11691	1.4
138.05510	1.6
140.07053	3.8
143.08580	1.3
145.10146	4.7
147.07986	1.1
147.11691	4.4
149.09619	1.1
149.13249	0.8
151.11147	1.5
152.07089	1.1
157.10127	1.6
159.07959	0.8
159.11697	5.2
161.09628	1.3
161.13245	0.9
163.11182	2.9
164.07048	1.0
165.12659	1.1
168.06573	5.3
169.10110	0.8
171.11661	1.3
173.13184	1.6
175.11096	1.3
180.06552	4.4
182.08124	1.6
183.11696	0.8
185.13286	1.2
186.09056	0.8
187.14769	1.0
193.04800	0.8
195.11655	0.8
198.07593	2.7
199.08629	1.2
199.14857	1.0
200.10857	1.0
203.11749	1.5
209.13341	0.7
213.16447	1.1
214.08669	0.9
227.12035	0.8
228.10194	1.3
229.13490	0.8
231.11259	4.6
234.11214	1.2
245.12863	3.1
246.11275	5.9
255.11377	0.8
256.09756	2.6
259.10797	1.1
273.12366	6.2
274.10895	2.6
275.13913	5.5
283.20294	0.9
291.13379	100.0
293.14896	5.0
301.11905	1.0
301.21591	3.3
319.12912	3.4
319.19131	1.2
319.22638	6.9
337.13907	54.4
337.17612	27.9
337.23456	14.1
342.12439	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	337.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14169	1.0
69.07074	1.1
71.04980	1.4
79.05515	1.2
80.43070	1.2
81.07037	2.2
91.05453	2.1
93.07078	3.5
95.08597	4.4
96.93809	1.0
97.06496	1.1
98.06050	5.3
105.07013	5.2
107.08585	2.5
109.10198	1.4
117.07013	1.2
118.57712	1.0
119.08566	1.6
121.10122	2.4
121.42432	1.0
122.06027	21.2
122.09649	11.8
123.08028	1.4
131.08545	2.6
133.10126	1.6
135.11633	1.2
138.09146	4.9
144.06471	1.4
145.10123	2.5
147.11627	4.2
150.04265	1.3
150.05490	30.7
157.10089	1.6
158.38599	1.2
161.13313	1.3
168.06546	10.9
173.13162	1.6
174.24800	1.3
181.88412	1.0
185.13281	1.1
191.03345	1.3
192.10147	1.2
199.64621	1.0
210.11330	1.7
216.13812	1.5
227.04417	1.0
228.14017	1.7
230.15466	1.9
231.87932	1.0
243.14935	19.8
243.17337	2.4
244.13310	63.7
246.14926	2.4
256.13226	1.5
257.16513	5.7
273.15945	4.9
274.14355	100.0
281.08084	6.9
283.20557	1.9
289.15439	54.6
291.17001	34.1
301.21606	2.1
302.13861	1.8
309.07501	21.2
319.16476	45.7
319.22351	1.7
320.14883	5.4
337.06952	16.8
337.17538	69.9
337.23447	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	337.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31543	0.7
55.31797	0.5
67.05499	0.9
71.04980	1.1
79.47424	0.5
79.86623	0.6
81.07052	0.6
85.06460	0.6
93.07040	0.9
113.50497	0.6
120.08063	0.6
121.08499	0.6
122.06032	4.9
133.10135	1.1
134.09631	0.7
136.07585	1.1
145.10110	1.0
146.09639	0.6
162.09084	1.1
164.07040	2.7
166.08553	1.2
171.11606	0.7
174.09099	2.5
180.10188	5.0
182.08044	0.9
183.25089	0.6
188.10667	1.1
203.68120	0.7
212.10715	0.9
213.10284	2.5
215.11813	0.9
216.12558	0.8
217.13264	0.8
224.10695	3.3
229.13333	13.2
231.11298	1.1
232.13518	0.9
238.12192	0.8
241.13336	2.3
242.14172	1.1
244.13266	0.9
255.14886	1.2
256.13251	2.7
259.14554	0.8
260.12686	0.8
271.14307	1.4
273.12451	0.7
273.15948	3.6
283.14340	1.0
286.13110	7.1
288.14679	1.2
289.15475	6.8
291.17001	1.0
301.15451	57.2
319.12949	1.3
319.16422	26.8
337.17532	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	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72821	1.1
62.62024	1.1
86.48103	1.2
98.06017	5.0
112.98801	1.4
119.08568	1.4
122.06033	23.3
122.09652	12.9
126.97489	1.4
137.05911	1.5
139.03911	2.4
140.07068	5.0
142.26874	1.3
150.05505	34.0
151.77231	1.4
153.05447	7.1
159.88551	1.4
168.06558	18.9
169.04956	1.6
204.10362	1.5
210.11121	1.5
228.13811	1.9
243.14943	15.4
244.13330	53.0
246.14815	2.6
256.13275	1.6
257.16504	6.3
273.15961	11.0
274.14362	88.3
279.07507	1.4
283.14301	1.7
289.15469	57.1
290.13550	1.6
291.17056	30.9
319.16522	47.2
320.14828	7.6
337.12622	15.9
337.17532	100.0
337.23843	2.9
350.25558	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	337.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22883	1.9
52.79302	2.6
53.05453	1.9
55.40187	2.1
58.02603	1.9
60.19483	2.0
69.07028	4.5
75.60892	2.0
81.24100	2.2
87.82220	2.9
89.07620	2.2
93.07042	2.6
97.06541	9.3
109.34839	2.4
118.37920	2.1
119.08553	2.8
121.06458	2.9
123.08100	2.5
129.16000	2.3
131.08601	3.8
135.08067	4.4
157.10101	3.7
159.08063	3.3
161.09554	3.2
169.10146	3.6
173.09615	3.3
179.08487	4.4
183.11636	3.6
192.09300	3.3
193.10146	9.7
197.09587	12.8
199.11131	2.6
207.11678	14.7
209.13306	3.1
211.11143	4.9
219.11685	9.3
220.12430	4.4
221.13245	3.4
223.11261	3.2
225.12764	4.7
233.13243	4.7
234.14011	5.8
235.11205	9.3
235.14888	5.6
237.12706	8.9
239.10597	3.3
244.12430	5.8
247.11105	4.7
249.12741	2.6
249.16376	15.5
251.14334	3.9
252.15404	2.8
253.12196	3.5
253.15894	3.2
259.14853	10.4
262.13522	17.5
265.15833	4.3
267.17395	10.7
277.15891	58.1
280.14557	3.8
295.16895	57.6
337.17938	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	337.1796
Annotation	Asperrubrol
Peak:m/z	Relative Intensity
50.28783	1.4
50.44701	1.3
51.62771	1.2
55.02883	1.2
59.92522	1.2
62.04858	1.2
62.58135	1.3
68.58142	1.4
69.03417	1.8
69.07047	2.7
79.05473	1.9
83.04934	1.5
91.05476	2.4
93.07061	1.6
95.04923	2.2
97.06512	1.5
105.07021	7.0
107.04968	1.5
107.08615	2.1
119.08546	3.4
121.06454	3.0
127.59886	1.4
129.07014	1.7
131.08536	1.9
133.10121	3.3
135.08011	3.3
141.40341	1.6
143.08553	3.3
145.10127	2.1
155.08501	2.4
157.06480	1.8
157.10094	5.8
159.08025	7.2
159.11632	1.7
167.08432	1.4
168.09431	1.5
169.10088	2.9
169.73489	1.5
171.08035	2.9
171.11703	3.4
173.09659	2.2
175.11208	1.3
179.08485	1.5
181.10104	6.6
181.26909	1.5
183.07935	1.6
183.11646	1.8
185.09589	3.3
185.13171	1.6
187.11136	3.1
191.08533	1.8
192.09267	2.2
193.10129	8.5
194.10899	1.5
195.08037	1.9
195.11705	3.5
197.09572	2.7
197.13257	3.0
205.10156	2.5
206.10861	3.5
207.11667	17.3
209.09586	7.0
209.13184	2.3
211.11171	7.4
217.10214	1.6
219.11719	10.0
220.12408	2.9
221.09613	2.9
221.13237	6.5
223.11194	3.3
224.12123	1.6
225.12714	7.1
226.09953	2.1
227.10638	2.8
233.09578	5.2
233.13136	2.0
234.14046	10.0
235.11166	7.0
235.14761	2.0
237.12721	8.1
239.10612	3.3
244.12422	7.4
247.11206	6.4
247.14775	1.5
249.16478	10.9
251.14238	6.3
252.11438	1.8
253.12090	2.0
259.14783	5.5
261.12735	2.0
262.13391	14.5
265.15790	2.5
267.17349	6.0
277.15842	46.1
295.16898	56.7
296.17221	2.6
319.16748	5.5
337.17938	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	337.1798
Annotation	Asperrubrol
Peak:m/z	Relative Intensity
51.60023	1.6
58.42004	1.8
63.60435	1.6
69.07050	3.1
73.51789	1.8
83.04968	2.6
93.07056	2.4
97.06530	3.5
105.07006	4.6
107.08585	3.6
116.13846	1.8
119.08595	3.4
121.10116	2.9
129.07001	2.2
131.08553	13.6
133.06488	4.5
133.10106	2.6
135.08073	3.3
143.08549	4.8
145.10030	2.4
147.08073	2.3
149.09586	10.1
155.08516	3.4
159.08018	12.3
161.09579	10.2
173.09639	3.3
179.08502	8.2
181.09959	2.6
183.11720	3.0
187.11121	2.5
193.10065	4.2
195.11670	2.7
197.09555	3.0
206.10968	3.6
207.11670	13.0
208.12389	2.4
209.13234	2.9
211.11252	3.6
219.11635	8.2
220.12477	3.4
221.13126	6.7
223.11339	2.7
229.10107	2.2
233.13225	4.8
234.14069	11.9
235.11163	3.0
235.14780	2.8
237.12712	3.1
239.10670	2.6
244.12355	3.9
245.32945	2.0
247.11365	6.7
249.16415	14.7
251.14343	4.2
259.14786	3.4
261.13068	2.9
262.13602	14.5
267.17383	11.7
277.15842	40.3
295.16910	42.0
309.18463	3.0
337.17941	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	337.2373
Annotation	Broussonetone A
Peak:m/z	Relative Intensity
58.64640	0.5
59.78013	0.5
65.90126	0.5
67.05501	1.5
69.07057	2.6
79.05463	1.1
81.07064	5.6
83.08636	0.6
91.05450	1.0
93.07066	6.3
95.04932	2.4
95.08595	10.1
96.36858	0.6
97.06532	34.4
97.10142	1.6
105.07028	3.6
107.08594	8.6
109.06571	0.8
109.10159	7.4
111.11706	0.8
117.06998	1.3
119.08575	7.8
121.06488	1.5
121.10141	8.7
123.08031	2.5
123.11706	7.5
125.30683	0.6
129.07011	0.8
131.08546	3.9
133.10114	8.4
135.08041	2.4
135.11690	4.5
137.09607	3.9
137.13240	0.9
137.82719	0.6
139.11156	1.2
143.08543	1.4
145.10150	6.5
147.08028	4.2
147.11626	4.7
149.09589	4.5
149.13206	1.6
151.11186	7.1
153.09004	0.8
157.10107	3.1
159.11647	6.0
161.09615	2.4
161.13245	3.5
163.11195	3.6
165.09061	1.0
165.12750	1.1
169.10095	1.0
171.11664	3.4
173.09642	0.9
173.13222	2.8
175.11122	1.3
177.12744	0.9
181.09955	0.8
185.13266	1.2
187.11142	0.7
187.14928	0.8
197.13280	1.1
199.14815	1.4
203.14482	0.7
210.40416	0.7
211.14803	1.1
213.16479	0.7
217.15694	0.7
221.13121	0.6
225.16493	0.7
229.19525	1.5
241.19490	6.0
243.20950	0.8
245.15274	0.9
247.20526	1.0
249.18503	1.0
253.19501	5.0
255.21033	2.9
259.20627	5.7
265.19473	1.1
271.20560	4.8
277.21539	2.2
283.20599	5.2
289.21588	7.4
301.17914	0.6
301.21622	5.6
307.22729	3.0
319.22641	8.0
337.23709	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.76774	0.6
55.05289	0.9
55.05521	18.9
57.03191	0.8
57.03441	16.4
57.07066	1.9
61.56720	1.0
65.03937	1.0
66.47285	0.8
66.67467	0.8
67.05175	1.5
67.05508	41.0
69.07069	26.9
69.86156	1.0
71.08641	0.9
79.05494	8.0
81.07062	42.8
83.08620	13.8
84.86244	0.8
85.06511	1.6
91.05490	7.4
93.07040	11.2
95.08014	1.8
95.08600	29.6
97.06524	3.4
97.10157	5.7
105.05297	0.8
105.07008	5.5
107.08590	7.4
109.10148	10.5
116.00173	0.9
119.08568	4.5
121.10134	4.4
123.11691	4.8
133.10121	4.4
133.84367	0.9
135.11710	2.0
147.11642	2.1
151.14822	1.1
299.03296	0.8
337.27350	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05510	15.9
57.03442	14.7
57.07069	2.1
62.05785	1.0
64.86694	1.0
67.05171	1.9
67.05502	36.2
67.05861	1.6
68.12926	1.2
69.07069	25.8
74.40406	1.0
74.40813	1.0
79.05488	9.1
81.06583	2.0
81.07050	39.4
83.08623	10.9
88.69639	1.1
91.05464	5.8
93.07066	8.5
95.08593	26.1
97.06537	1.4
97.10138	6.4
100.30572	1.1
105.07001	4.4
107.08575	4.6
109.10137	12.5
119.08534	1.9
121.10089	2.2
123.11674	2.3
123.94326	1.0
135.11667	2.6
146.95815	1.1
262.08972	1.3
263.23724	2.1
337.27319	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
52.77750	1.1
54.09310	1.1
54.16711	1.2
55.05518	24.5
57.03439	16.8
57.07083	2.7
67.05171	2.1
67.05508	50.7
69.07067	28.1
79.05508	10.2
81.06587	1.9
81.07059	52.5
83.08613	14.2
91.05469	6.4
92.11283	1.2
93.07052	16.3
95.08603	40.1
97.06519	2.2
97.10155	6.3
99.08099	1.8
105.07031	3.1
107.08584	7.8
109.10162	18.4
118.04799	1.5
119.08561	5.7
121.10114	5.6
123.11682	7.2
133.10146	5.6
135.11697	2.5
137.13278	1.8
145.13344	1.2
147.11743	1.9
204.31987	1.2
215.18384	1.5
263.23615	2.5
337.27368	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05523	15.8
57.03444	16.1
57.07058	2.0
67.05168	1.6
67.05511	39.7
69.06728	1.5
69.07068	23.2
70.19524	0.8
74.09776	1.0
79.05498	8.5
81.07064	41.1
83.08633	13.3
91.05467	5.7
93.07049	12.1
93.93844	0.9
95.08024	1.4
95.08605	37.1
97.06538	1.1
97.10154	6.0
104.94783	1.0
105.07038	3.6
107.08596	7.1
109.10166	16.4
111.11739	1.2
119.08538	2.3
121.10120	5.3
123.11671	6.0
133.10124	2.3
135.11642	1.6
137.13176	1.8
143.65131	1.0
147.11671	1.7
158.73164	0.9
161.13239	1.6
175.14880	1.4
219.14607	1.0
245.22424	1.0
263.23648	1.4
337.27356	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	338.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45679	0.4
53.56700	0.3
56.96556	0.4
58.06584	1.4
67.47057	0.3
74.09348	0.5
74.09721	12.3
78.45107	0.3
83.32982	0.3
83.33629	0.3
85.33012	0.3
98.97574	4.9
100.07593	0.4
116.98578	0.7
118.08633	0.7
118.35870	0.4
131.00156	0.5
135.95332	0.4
140.06815	0.5
174.04382	11.3
179.02119	0.4
192.05420	4.2
195.04964	0.5
204.01738	0.4
216.05428	100.0
230.06985	6.5
234.06485	22.2
239.04266	0.5
242.07034	1.6
248.08072	2.3
257.07840	0.5
278.09125	4.9
320.00485	0.4
338.11194	31.1
342.29898	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	338.2689
Annotation	Melophlin D
Peak:m/z	Relative Intensity
55.05527	1.7
60.04529	14.6
60.25497	1.3
60.97721	1.7
64.13705	1.5
67.05515	13.5
69.07053	5.3
78.28104	1.5
79.05476	2.1
81.07055	27.4
83.08600	6.5
84.94271	1.3
86.30788	1.7
93.07059	1.8
95.08606	21.9
107.08564	2.4
109.10154	13.4
119.53699	1.5
121.10122	7.2
123.11693	5.6
133.10129	2.4
135.11740	2.4
154.12299	3.5
158.15358	2.2
158.61113	1.6
165.12706	1.9
185.35435	1.7
220.44666	1.7
279.23267	2.1
296.25809	26.6
303.30066	1.5
338.26880	100.0
349.88840	1.6
361.64337	1.7
362.07205	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	338.3417
Annotation	CHEBI:69545
Peak:m/z	Relative Intensity
51.23313	2.2
52.62587	1.9
55.05511	14.4
55.83891	1.6
56.43522	1.9
57.07082	25.0
64.99584	1.9
67.05497	10.2
69.07069	40.3
71.08642	18.9
72.08154	2.6
81.07072	15.2
83.08620	40.8
85.10193	5.0
86.06048	4.8
86.81426	2.0
87.14500	2.2
87.78345	2.0
88.81873	2.5
89.81903	2.0
93.07059	4.0
95.08600	17.3
97.06532	8.1
97.10176	26.5
100.07601	9.0
107.08578	9.2
109.10152	8.2
109.20848	2.4
111.08076	10.9
111.11716	10.5
114.09167	9.6
121.10148	11.2
123.11710	3.3
125.09618	3.9
128.10706	4.2
129.88637	2.3
131.85561	2.2
135.11667	11.2
139.11183	3.3
142.12289	3.1
144.32994	2.0
149.13310	3.8
303.30429	9.0
309.72379	2.2
321.31430	15.7
338.34146	100.0
338.38126	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	338.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68933	0.9
55.05507	3.2
57.07073	1.8
57.24966	0.7
57.63282	0.7
57.69585	0.7
71.08624	1.2
74.06052	0.8
76.55170	0.8
83.08609	4.1
88.07651	7.5
102.09159	4.9
102.13544	0.8
117.38067	0.8
117.94215	0.8
119.98923	0.8
122.60292	0.8
122.61214	0.8
136.08673	1.2
162.10149	0.8
174.45236	0.8
182.11882	0.9
256.26334	100.0
280.99658	0.9
338.18307	1.2
338.34146	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.9677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47363	0.2
52.60739	0.2
54.50396	0.2
56.96564	2.6
58.78344	0.2
59.68810	0.2
70.81872	0.2
74.09715	1.3
74.83544	0.2
76.90462	0.2
77.49339	0.2
91.62102	0.2
98.97581	63.8
112.05225	0.3
116.98617	25.1
117.26926	0.2
122.44595	0.2
123.89314	0.3
130.93254	0.3
134.99644	4.3
137.47238	0.2
140.00200	0.3
140.06815	0.5
156.04207	15.1
172.94341	2.3
175.04611	0.3
176.85828	0.2
180.97910	0.4
189.00888	0.3
190.95369	1.3
197.95016	0.3
198.12117	0.2
214.95375	4.9
216.05463	2.0
217.05754	2.9
222.01984	5.5
230.98654	0.3
232.96452	6.4
235.06784	0.5
250.97446	1.2
256.96411	35.6
274.97482	100.0
292.98550	35.6
297.99100	1.6
298.04456	0.2
316.00189	0.3
338.96719	3.2
339.11636	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	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55565	0.6
52.92001	0.8
71.52512	0.7
73.91988	0.8
75.24054	0.8
92.17813	2.5
134.09630	1.0
207.11269	1.1
231.70731	1.0
237.01343	0.8
257.12830	1.6
275.13998	1.3
285.12329	1.3
303.13397	7.1
321.14410	14.0
339.10519	100.0
339.15439	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
57.87716	0.7
69.03387	0.9
70.85349	0.6
71.04982	3.5
75.04460	3.5
81.03417	10.1
81.36219	0.7
82.04161	1.0
85.02879	0.8
85.06526	1.3
95.04951	1.2
99.04469	7.5
109.02221	0.9
109.02895	11.4
113.05973	5.1
117.03338	1.0
127.03912	1.2
135.04416	9.4
141.05457	0.8
144.18346	0.7
145.02866	11.6
163.03893	100.0
181.04922	0.8
218.05968	1.1
231.38150	0.8
246.04909	1.2
264.06931	1.2
292.30173	0.9
339.10580	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1186
Annotation	Tilmacoxib
Peak:m/z	Relative Intensity
65.80394	0.3
67.40809	0.3
69.03406	0.8
71.90052	0.3
81.03396	0.8
85.02884	0.5
86.00954	0.3
91.05490	0.3
92.17925	0.3
97.02917	0.5
99.04419	0.7
109.02851	0.8
119.04932	0.4
122.05930	0.4
124.07574	0.4
127.03918	1.3
134.06007	0.6
136.07558	4.8
137.07878	0.5
138.28258	0.3
140.07060	0.5
147.04390	3.0
147.93942	0.3
164.07042	100.0
176.32283	0.3
177.06517	2.8
194.99527	0.7
257.09198	0.5
275.10202	0.8
303.09689	1.8
321.10754	30.2
339.11844	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
62.13062	1.6
69.75265	1.9
78.19337	2.0
85.06526	9.0
91.05430	2.6
95.04943	2.0
95.08589	4.0
95.50797	1.9
108.87753	1.7
137.05983	54.2
159.08101	1.9
165.05470	2.7
187.07039	2.0
191.08374	2.8
205.06464	3.9
215.08531	8.7
217.06592	3.2
218.07236	8.9
219.08017	14.6
220.08437	2.2
221.09583	2.5
231.07942	3.0
233.05865	2.3
233.09616	10.2
234.06735	3.3
235.07530	19.2
236.08199	3.1
237.09048	11.1
239.06052	1.9
242.04613	2.2
246.06723	7.9
247.07623	12.8
249.09065	16.0
250.09967	1.9
251.10637	7.5
260.08206	2.7
261.09091	39.2
262.06155	2.7
263.06979	26.6
265.08566	28.3
277.08569	36.1
278.09351	11.0
279.10068	9.8
281.07986	2.2
287.06708	2.1
289.08591	17.0
290.09317	3.0
291.10022	2.8
293.11487	1.8
295.09656	8.0
297.11246	26.6
303.23233	2.4
306.08826	3.3
307.09814	15.3
309.11136	10.9
311.12680	10.8
321.11230	39.9
321.24045	2.2
339.12225	100.0
339.25134	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	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
51.87287	2.5
54.03731	2.3
56.02496	2.1
61.96834	2.2
63.35700	2.6
66.96825	2.3
72.36618	2.9
81.07043	5.8
86.98235	3.1
91.41081	2.4
93.07027	4.0
95.08580	4.2
105.07029	2.7
107.08569	4.8
109.10088	2.9
119.08565	3.8
121.06597	2.4
121.10136	5.4
123.04414	2.8
133.10141	3.8
134.59074	2.5
135.11684	3.2
137.05975	60.4
137.13203	2.8
143.08592	3.6
145.10216	2.7
147.11653	3.2
159.08020	3.2
161.05948	2.6
162.05556	19.5
163.07541	3.2
165.05475	4.5
174.08157	2.8
187.07530	3.3
202.16733	3.2
205.06491	3.5
207.08133	2.9
208.06076	5.3
215.08604	2.8
218.07240	4.1
219.08063	11.6
221.09573	6.1
233.05933	2.9
233.09694	10.1
235.07629	20.8
237.09100	5.3
237.12852	3.6
246.06696	5.3
247.07433	9.3
249.09073	16.2
251.10820	6.3
261.09091	38.3
263.07077	33.7
265.08597	27.8
268.39453	3.4
277.08575	18.0
278.09366	4.2
279.10101	13.0
279.17285	4.6
289.08685	4.8
295.09583	11.3
297.11261	24.3
306.08801	4.2
307.09595	5.6
311.12674	13.0
321.11191	40.3
321.23602	3.5
339.08664	7.8
339.12241	100.0
339.15796	7.7
339.19336	14.6
339.25128	11.1
350.72342	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	339.1229
Annotation	2-formylporphine
Peak:m/z	Relative Intensity
52.39814	0.7
55.01868	0.8
55.05513	1.0
56.08704	0.7
56.68026	0.9
67.05481	0.9
69.03410	1.5
73.64349	0.8
79.05481	1.2
81.07091	5.7
81.07451	0.8
85.06493	1.1
91.05458	2.9
93.07021	1.6
95.08592	3.6
103.05424	0.8
105.07047	5.5
107.08587	9.7
109.06515	4.5
109.10123	3.0
109.39286	0.7
118.03664	0.8
119.04919	0.9
119.08611	7.2
121.06371	1.0
121.10139	3.3
122.03642	1.4
131.04872	1.3
131.08542	0.9
133.06427	0.9
133.10149	7.6
135.08040	10.8
137.05972	39.3
137.09642	1.1
137.68002	0.8
143.08583	7.3
147.08063	1.8
149.05983	14.6
149.09592	15.2
150.03191	1.3
151.03870	1.3
157.10109	1.0
159.11723	0.9
161.05968	5.4
161.09593	21.9
162.06746	1.2
163.07542	5.0
163.11176	3.8
165.05461	100.0
171.11613	0.8
173.09596	3.2
173.13222	1.0
174.11983	0.9
175.07542	4.2
177.05438	23.9
187.07574	1.6
187.11140	1.9
189.09065	1.0
191.08401	1.1
191.10674	5.6
199.11319	0.9
219.07996	6.5
236.81610	0.9
243.71548	0.9
246.06818	0.9
247.07570	5.8
249.09058	1.0
251.10687	5.0
261.09094	12.2
264.07684	1.4
264.15176	1.3
269.18915	1.3
275.07095	3.4
277.08459	1.7
279.10150	9.1
279.17471	3.2
280.10818	1.4
289.08582	7.3
290.09561	1.3
293.11752	3.3
297.18445	19.5
306.08719	5.6
307.09659	4.8
311.09149	1.3
311.12653	10.9
321.11194	34.1
321.18387	0.8
321.23993	1.7
324.09821	1.1
339.08661	2.2
339.12289	60.7
339.19434	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.155
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
54.94860	0.3
56.49616	0.3
59.37428	0.3
70.35332	0.3
78.03911	0.4
78.64223	0.4
124.03960	2.6
160.02849	0.5
170.72766	0.4
193.16035	0.4
207.11252	7.4
209.00992	0.4
215.11774	0.4
219.11411	0.4
220.11980	0.5
229.13368	1.9
247.10654	0.4
247.14421	2.5
250.58479	0.4
257.12823	5.6
275.13873	9.0
277.15454	2.6
285.12286	5.0
293.14996	7.3
298.09210	0.7
303.10547	0.6
303.13364	21.4
321.14423	59.5
339.15472	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	339.1591
Annotation	Taxamairin H
Peak:m/z	Relative Intensity
51.84847	0.7
52.08867	0.7
71.80342	0.8
78.68623	0.8
93.82219	0.7
120.10532	0.9
209.09637	8.4
219.08026	2.0
237.09091	7.6
239.06996	2.1
247.07445	3.8
254.09367	4.4
255.10153	1.1
265.08679	8.4
266.09454	3.2
267.06625	1.0
268.11047	1.8
269.11731	4.5
279.10471	1.2
279.13791	5.4
281.08084	10.9
281.11673	7.5
282.08875	1.6
296.10428	11.2
296.14087	3.9
297.11215	11.9
298.12012	1.4
307.13211	4.6
309.11148	7.9
311.16501	1.1
321.14917	1.3
324.13412	8.1
339.15909	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	339.1589
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
52.63883	0.3
54.64453	0.3
55.05499	0.9
56.30877	0.4
57.07074	0.7
66.09049	0.3
66.72588	0.4
67.05485	2.1
69.07056	2.2
79.58301	0.4
81.07063	6.4
81.75808	0.4
83.08611	1.8
85.06526	2.2
95.08601	5.2
97.10162	1.8
98.97533	0.5
105.07024	0.6
107.08585	1.7
107.58421	0.4
109.10152	3.5
111.11727	1.0
116.43830	0.4
119.08572	1.6
121.10163	3.3
121.75673	0.4
123.11684	2.2
131.08525	0.4
133.10141	2.0
135.11726	0.9
144.54488	0.4
145.06490	0.7
147.08061	0.7
147.11716	3.1
149.13210	0.6
151.11186	0.6
151.14763	0.4
161.13338	0.4
175.11148	1.0
179.14337	0.5
181.10085	0.9
197.05836	0.5
209.09625	3.9
211.07401	0.6
216.05609	0.4
219.08139	0.6
221.09779	0.4
222.10431	0.4
223.11118	0.4
227.06989	0.5
237.09021	6.8
237.12749	0.9
237.18690	0.5
238.10030	0.5
239.06984	0.9
241.12265	0.6
249.09207	0.5
249.57938	0.4
250.06287	0.6
251.07043	0.5
251.10732	0.5
251.14282	0.7
253.08553	1.7
253.12193	0.9
254.09407	4.0
264.07718	0.8
264.11575	0.6
265.08618	3.9
266.09366	2.6
267.06564	1.8
268.10898	1.8
269.11765	1.8
279.10092	1.9
279.13840	1.8
281.08081	11.9
281.11655	5.3
282.08844	3.1
282.11984	0.6
283.09720	0.9
283.16904	8.0
296.10416	12.8
296.14053	4.8
297.11185	7.2
297.14728	1.6
298.11984	0.9
303.26855	0.5
306.12613	0.7
307.13208	3.9
309.11157	9.3
311.16495	0.5
321.14905	0.8
321.27905	2.1
324.13538	9.8
339.15894	100.0
339.22968	4.1
339.28976	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	339.1913
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
72.91968	0.8
77.81342	0.7
85.15397	0.7
97.06506	1.0
108.08091	0.8
122.06028	1.1
124.07555	3.4
126.05454	0.8
134.09657	0.8
139.02405	0.6
141.50705	0.6
145.02863	0.9
148.07539	1.3
151.11096	0.7
151.99167	0.7
164.07004	1.3
166.08652	3.2
172.18034	0.6
176.10646	2.6
177.05458	2.8
180.10194	1.6
191.11888	0.8
198.11186	1.1
198.89915	0.8
216.13826	2.8
231.14894	12.5
233.12729	2.6
243.14870	5.6
246.14796	0.9
257.16382	1.0
258.14902	3.1
262.14218	2.4
273.15833	0.8
274.13077	1.0
275.17429	2.7
276.15933	1.0
285.15887	2.6
286.14279	0.8
290.16220	1.0
291.17032	7.9
293.18564	1.0
303.17014	72.7
304.15430	0.8
321.18045	26.2
339.19104	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	339.1954
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
59.87878	2.0
67.05494	2.8
69.03418	4.7
70.56593	2.0
77.83519	2.1
81.07063	3.9
91.05480	3.4
93.07024	5.1
95.08603	9.7
104.11479	2.2
105.07042	12.7
107.08573	22.1
109.06532	3.7
109.10168	2.6
119.08561	16.5
121.10126	12.3
133.10115	19.1
135.08032	37.9
137.09613	5.1
143.08540	19.6
147.08023	3.8
149.09590	43.1
161.09621	51.3
163.07574	4.0
163.11185	3.6
171.11653	2.5
173.09619	9.9
185.09625	2.7
187.11253	3.5
189.09149	2.6
191.10646	11.6
199.11154	3.6
203.07063	3.7
209.13303	2.8
213.12694	3.7
215.07033	2.9
237.12822	3.4
239.14273	2.6
251.17929	2.6
264.14896	3.2
269.18945	3.3
279.17386	19.3
297.18500	51.9
339.12720	2.6
339.15939	8.7
339.19534	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	339.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22585	1.9
55.05511	4.6
60.40857	2.4
65.26431	2.1
65.51424	2.2
67.05514	4.0
69.03410	2.4
69.07071	3.6
76.82963	2.4
79.05491	3.5
81.07067	16.6
83.04936	2.3
89.61212	2.6
91.05451	4.6
93.07034	11.6
95.08591	14.2
97.06527	3.0
97.10191	24.9
105.07040	15.0
107.08588	11.7
109.06519	12.7
109.10139	11.2
117.07095	2.4
119.08562	47.8
121.06481	8.9
121.10194	3.5
123.08085	3.1
123.11701	3.7
125.09622	3.6
129.06984	2.4
131.08604	4.4
133.10150	12.9
135.08054	15.4
135.11693	3.9
137.09630	4.5
140.58302	2.4
141.04198	2.4
143.08578	13.2
145.10121	10.1
147.08054	12.8
147.11664	4.6
155.08557	5.0
156.09268	4.0
157.10132	19.3
159.08087	8.8
161.09628	24.0
167.08562	4.3
169.10112	39.1
170.10912	4.5
171.11707	18.7
173.09653	10.2
175.11188	13.2
181.10190	9.9
183.11765	4.1
185.09674	5.5
187.11166	10.1
189.12624	3.3
193.10161	4.2
194.10976	3.7
195.11681	34.5
199.11240	5.3
207.11667	4.0
209.13264	11.1
211.11285	3.5
213.12688	3.5
221.13184	5.4
222.13959	3.3
223.11186	11.3
223.14891	3.8
225.12708	3.6
231.11743	2.8
236.11951	2.6
237.12785	15.9
237.16376	5.6
241.12225	4.8
250.13681	2.5
251.17981	10.9
255.13832	5.8
255.17526	2.5
261.16412	3.6
264.15234	3.3
275.04297	2.7
279.17450	75.6
297.18466	71.5
298.18860	5.7
303.23438	2.5
321.24313	13.2
339.16052	3.5
339.19507	100.0
339.25439	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	339.1954
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
58.50565	1.7
69.76727	2.7
77.59776	2.2
79.43497	1.9
81.07051	4.1
91.05473	2.7
92.18494	4.0
93.59160	2.1
95.08620	3.1
97.06490	2.3
105.07037	11.0
107.08559	3.5
109.10117	2.4
119.08578	4.7
121.10119	4.1
133.10159	3.3
143.08533	27.7
145.10078	2.9
155.08556	3.9
157.10139	4.1
165.06926	3.0
167.08559	4.9
169.10126	3.9
171.08038	3.9
181.10104	41.3
183.11687	4.8
185.09700	3.1
187.11026	2.6
193.10164	5.1
195.11707	14.2
207.11723	4.0
208.12488	3.2
209.09608	2.8
209.13280	14.2
221.13223	9.5
223.11336	2.9
223.15002	2.6
230.30682	2.2
236.15576	4.5
237.12737	5.3
237.16380	3.2
246.14195	2.9
249.12724	8.5
251.17969	8.8
261.16348	4.0
272.54913	2.3
279.17380	72.8
297.18414	10.6
339.19467	100.0
362.44046	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	339.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.1
60.41876	1.6
67.05505	2.5
69.03424	3.0
69.07059	2.9
79.05505	2.6
81.07040	3.6
81.09127	1.8
83.04964	3.5
83.08609	2.2
91.05453	4.0
93.07032	4.0
95.08582	3.8
105.07023	11.9
107.08582	4.3
109.06502	7.2
109.10144	4.2
117.07033	3.9
119.08559	34.2
121.06502	8.5
121.10104	7.4
123.08052	3.2
129.06932	3.5
131.08551	4.3
133.06403	2.0
133.10094	12.1
135.08054	15.4
137.03146	1.7
137.09534	3.6
141.06941	2.1
143.08566	15.1
145.06461	7.0
145.10104	4.5
147.08026	10.1
147.11661	9.4
149.09604	3.4
155.08548	8.7
156.09344	7.4
157.10103	16.5
158.99808	2.1
159.08047	9.6
159.11679	2.6
161.09593	23.4
163.11266	2.9
165.06926	2.6
167.08612	3.0
169.10129	19.6
170.10912	3.1
171.11693	18.0
173.09630	11.3
175.11208	18.7
179.08640	2.4
180.09369	2.8
181.10112	3.9
185.09566	4.5
187.11163	10.2
189.12701	3.4
193.10202	4.3
194.10825	2.0
195.11699	31.6
199.11183	10.0
201.12817	3.1
207.11705	4.2
209.09625	3.9
209.13202	10.1
211.11212	2.4
213.12691	4.0
219.11749	2.2
221.13203	8.6
223.11217	11.1
223.14886	3.0
225.12701	2.7
236.11998	3.2
236.15555	3.6
237.12720	12.4
237.16347	6.4
239.14261	2.6
241.12292	4.0
249.12602	2.3
251.17946	7.3
253.15889	8.0
255.13719	6.5
255.17545	2.4
260.07672	2.4
261.16376	3.3
264.15045	3.9
269.18997	2.4
279.17438	72.0
283.17062	4.2
297.15088	6.0
297.18457	89.1
298.18918	7.3
339.15829	17.0
339.19537	100.0
339.22815	4.0
343.49933	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	339.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15186	1.9
54.22049	2.0
54.54414	2.0
55.05502	4.0
55.80983	2.3
57.03437	2.6
67.05496	3.6
69.07067	5.6
79.05472	4.3
81.07050	10.1
83.08566	4.4
83.36968	2.5
91.05447	12.4
93.07035	14.7
95.08612	10.7
97.06577	3.1
98.32297	2.9
103.05488	2.8
105.07045	18.6
107.08588	11.0
109.06497	4.1
117.06947	3.5
119.08568	47.9
121.06515	4.9
121.10108	5.5
123.08056	4.7
128.06184	3.1
131.08563	9.8
133.06444	3.0
133.10103	13.6
135.08047	10.2
137.09625	4.1
140.59187	2.8
141.06947	2.7
143.08549	19.4
145.06508	3.3
145.10098	5.3
147.08099	3.1
149.09625	4.0
155.08511	10.1
156.09265	3.1
157.10109	16.2
159.08017	6.1
159.11661	5.5
161.09596	28.2
169.10078	36.8
170.10890	11.1
171.11694	22.3
173.09598	12.5
175.11186	5.4
176.11896	3.4
180.09384	3.9
181.10136	14.6
183.11703	4.1
185.09532	2.9
187.11145	13.2
193.10161	10.3
194.10944	3.9
195.11743	23.8
199.11098	18.7
207.11737	6.2
208.12453	3.3
209.13226	10.3
213.12790	8.8
219.11565	3.0
221.13235	5.3
223.11223	21.5
223.14801	3.5
225.12766	4.6
235.11060	2.8
235.14948	2.9
236.11961	10.4
237.12764	12.1
237.16415	3.7
239.14296	5.4
241.12277	9.3
246.14052	4.5
249.12735	6.0
250.13495	3.4
251.14302	2.9
251.17911	5.6
253.15823	2.8
261.16357	5.2
264.15057	11.6
279.17416	100.0
297.18454	63.6
298.18600	4.1
339.19531	77.3
339.23373	5.3
339.28180	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	339.1955
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
57.04822	1.4
67.05509	2.2
69.07063	2.2
76.22926	1.4
79.05449	2.2
81.07043	3.0
83.04970	2.3
83.08592	1.6
91.05448	3.4
93.07071	5.7
95.04943	3.9
95.08590	3.5
97.06522	2.7
105.07011	8.5
107.08561	9.2
109.06509	2.4
109.10166	3.0
119.08575	8.3
121.06432	2.0
121.10150	5.8
123.08028	2.7
125.09542	1.8
128.06200	9.3
131.08542	7.3
133.06450	2.6
133.10165	3.1
135.08051	3.3
137.09625	3.1
141.06927	2.0
142.07744	2.0
143.08559	70.4
145.10097	7.0
147.08086	2.3
148.29530	1.4
149.09641	2.3
153.49223	1.6
154.07765	1.7
155.08591	5.8
157.10110	8.4
159.07994	2.5
159.11723	2.0
161.09576	3.6
165.07002	1.7
166.07762	2.9
167.08543	4.0
168.09267	1.9
169.10135	14.4
171.08032	3.5
171.11653	7.7
173.09517	3.4
179.08490	3.9
180.09357	2.7
181.10110	27.5
183.11676	16.5
185.09613	2.0
185.13124	2.2
189.08960	2.2
193.10210	11.4
194.10881	8.4
195.11667	13.9
196.12465	3.2
197.09558	3.7
197.13202	1.9
199.11113	6.3
201.12737	2.1
205.10120	2.6
207.11644	12.7
208.12439	3.2
209.09589	7.1
209.13298	13.4
211.14784	2.2
219.11594	2.6
220.12422	2.8
221.13274	13.8
222.14046	2.6
223.11169	6.3
223.14742	3.9
225.12549	2.3
225.16365	2.8
231.11676	7.8
235.11131	1.9
235.14819	11.6
236.11980	1.9
236.15553	3.2
237.12761	10.8
237.16296	3.3
246.14035	8.4
249.12689	3.5
250.44173	1.7
251.14185	2.0
251.18002	13.9
253.15990	2.5
261.16309	13.2
263.14258	3.9
264.14838	2.2
279.17422	78.5
293.19034	1.8
297.18521	15.9
321.18451	7.9
339.15970	6.6
339.19513	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	339.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97909	2.3
54.20681	2.3
55.05507	14.4
56.23949	2.3
57.03432	5.8
57.07071	12.3
65.39532	2.3
67.05487	16.1
69.07075	25.6
69.15708	2.7
73.16808	2.7
79.05488	3.6
81.07050	15.1
83.08598	14.9
91.05478	5.1
92.18436	6.4
93.07040	17.8
95.08595	18.0
97.06520	5.3
105.07019	14.2
107.08585	15.8
109.06527	4.3
109.10149	6.3
119.08613	22.3
121.10118	16.0
128.06197	3.4
131.08566	14.1
133.06447	6.1
133.10120	5.6
135.08130	5.3
135.11679	4.9
137.09644	4.6
143.08531	32.3
145.10132	11.9
147.08012	3.6
149.09645	4.4
155.08559	13.5
157.10136	13.3
159.08087	4.9
161.09598	11.7
165.06932	3.9
167.08582	6.8
169.10117	20.5
171.11684	5.3
173.09608	5.4
179.08661	4.4
181.10109	24.5
183.11670	17.7
191.56587	3.4
192.09491	3.2
193.10187	10.6
195.11734	18.7
206.10947	5.2
207.11699	14.0
208.08855	4.4
208.12492	6.7
209.09612	6.8
209.13231	29.0
213.12732	4.0
219.09767	3.7
221.13312	22.7
222.10449	3.9
223.11087	11.7
223.14859	7.3
228.77068	3.3
235.14801	5.2
236.11896	4.8
236.15552	4.6
237.12791	11.9
237.16219	10.4
246.14055	6.4
249.12590	4.3
251.17924	16.3
261.16385	13.4
263.14310	3.2
265.19547	13.3
279.17392	86.4
283.20425	4.7
297.18564	25.3
321.18268	5.2
339.19562	100.0
339.23260	12.4
339.28842	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1955
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
51.29747	1.9
60.37452	2.2
69.07074	3.2
71.29424	2.0
76.59676	2.1
81.07053	3.1
82.80086	2.3
83.08606	2.7
87.42899	2.0
88.09383	2.1
91.05482	4.1
93.07050	9.9
95.04961	3.6
95.08547	2.3
99.73534	2.4
101.42213	2.4
105.07040	11.1
107.08618	16.7
109.10150	3.4
109.95724	2.4
117.07082	3.0
119.08566	34.6
121.10139	10.5
129.57039	2.2
131.08559	15.7
133.06468	3.7
133.10146	17.6
135.08049	31.1
137.09615	4.2
141.07016	2.6
143.08540	12.8
145.10110	10.1
147.08011	5.7
149.09605	43.8
155.08510	3.4
157.10103	9.0
159.08069	4.0
161.09596	23.8
167.08531	5.5
169.10143	3.8
171.11603	3.2
173.09616	15.2
179.08539	3.9
181.10109	12.2
183.11703	3.8
185.09708	2.8
187.11115	8.8
189.12648	3.3
191.10663	5.7
194.10893	4.7
195.11685	20.9
197.13269	3.1
207.11740	7.9
208.12599	3.9
209.09567	4.1
209.13280	14.3
213.12772	3.3
219.11627	3.9
221.13257	5.7
223.11154	12.9
223.14862	3.4
235.11195	2.6
235.14894	5.3
236.11879	3.6
237.12733	13.7
237.16275	3.4
239.14134	2.7
246.14003	5.6
249.12836	3.5
251.17914	19.1
253.15833	3.6
261.16357	9.2
264.15036	9.3
269.19040	3.7
271.08755	2.4
279.17401	74.7
281.15427	2.6
297.18448	63.5
321.18411	3.7
339.19528	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	339.232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40427	0.9
56.51021	1.0
57.07088	10.4
57.82781	0.9
67.05492	1.2
79.56464	0.9
81.07070	1.7
89.59419	1.0
91.05474	1.6
93.07043	1.4
105.07031	5.4
107.08612	1.4
119.08576	10.2
121.06512	1.7
121.10138	26.2
133.06470	1.4
133.10112	12.9
147.08058	1.6
147.11687	33.1
157.10126	1.6
160.08733	1.2
163.11092	1.6
175.11186	24.7
179.10677	1.1
199.27538	1.2
253.07536	1.9
274.97452	2.0
281.07886	1.7
281.10684	2.3
283.16907	100.0
296.10336	1.4
324.13770	1.6
339.16141	13.8
339.19412	2.1
339.23148	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	339.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.07082	12.3
60.19024	0.5
69.07102	0.8
81.07092	0.8
89.79346	0.5
91.05488	1.0
93.07046	0.7
95.08598	0.6
97.06526	0.9
105.07024	6.3
107.04979	0.6
107.08597	2.8
117.24073	0.6
119.08571	9.9
121.06515	4.7
121.10135	26.6
129.97763	0.5
133.06500	3.3
133.10126	14.5
135.11674	0.5
142.07729	0.5
145.10164	0.9
147.08026	1.1
147.11681	34.1
157.10158	2.5
160.08846	1.0
163.11169	2.2
175.11166	27.1
226.52995	0.6
254.82280	0.6
283.16910	100.0
284.37726	0.5
333.14355	0.5
339.12131	1.0
339.19653	2.6
339.23148	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
56.81920	0.7
57.07077	12.4
67.05496	1.1
69.03390	1.1
69.07050	1.1
72.07079	0.9
74.36507	0.8
79.05473	1.8
80.67878	0.7
80.81484	0.8
81.03408	1.7
81.07047	1.9
91.05457	5.1
92.18002	0.9
93.07011	1.2
95.08599	1.8
97.06493	1.0
105.07033	7.0
107.08583	1.4
117.06962	1.3
119.08572	8.9
121.06467	4.6
121.09294	1.5
121.10132	30.8
133.06488	1.2
133.10127	16.5
135.08037	1.0
135.11665	1.2
136.39958	0.9
147.08051	1.8
147.11670	32.5
149.09601	1.2
151.11101	1.0
157.10179	1.4
169.10060	3.0
172.69148	0.8
175.11179	27.4
185.09636	0.9
193.10011	1.5
194.10829	0.8
237.12666	1.1
253.07440	1.5
279.17062	1.1
281.10568	10.7
283.16904	100.0
297.18488	1.0
299.11517	1.9
308.74634	0.9
321.24176	0.9
322.02948	0.9
339.14871	4.3
339.19940	1.9
339.23123	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.16328	0.9
55.05277	1.2
55.05514	21.0
57.03187	1.0
57.03446	16.7
57.06860	0.8
57.07079	13.2
59.22217	0.8
67.05506	15.4
69.07066	36.2
71.08607	6.1
79.05476	6.3
81.07066	17.0
83.08617	25.2
85.06536	1.2
85.10171	1.6
93.07029	10.0
95.08592	19.1
97.06483	1.8
97.10167	16.7
107.08578	6.7
109.10129	9.5
111.11701	2.2
111.77731	0.9
121.10135	8.0
123.11681	1.2
134.71211	1.0
135.11682	5.9
137.13283	1.0
149.13237	1.6
165.16357	1.1
265.25226	1.4
316.60587	1.2
337.14056	1.0
339.28922	100.0
339.92892	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	340.2482
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
55.05513	0.7
58.87885	0.8
67.05502	9.9
68.51718	0.9
69.07058	2.2
71.04957	0.8
73.58176	0.9
79.05472	4.6
81.07068	8.9
83.08607	3.8
91.05457	5.2
93.07047	9.5
95.08590	12.1
97.06523	1.5
97.10172	1.2
105.07037	1.8
107.08579	5.4
109.10152	6.3
111.08070	1.7
117.07055	1.2
119.08547	5.4
121.10131	13.7
131.08534	1.8
133.10129	7.6
135.11682	8.5
137.09656	1.7
145.10130	2.0
147.11646	6.0
149.13271	1.5
151.11183	1.3
154.12259	7.1
156.13826	5.9
157.10242	0.9
159.11690	2.2
161.13275	1.2
163.11157	1.4
172.13301	5.4
173.13174	1.0
176.11497	1.2
177.12782	1.0
218.10596	1.0
255.04733	0.9
259.20596	2.2
270.85522	0.9
276.23264	1.2
277.21570	6.8
283.16843	1.0
284.17252	9.9
290.50607	1.0
294.24353	11.6
304.22980	1.0
312.25287	17.1
322.23883	2.0
331.57938	0.9
340.24808	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	340.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36001	0.8
51.44143	0.7
52.40357	0.7
54.06561	0.7
65.99981	0.9
69.07069	8.9
71.62727	0.9
79.05488	1.5
96.07538	1.6
96.08126	40.9
97.06528	1.4
104.56079	0.9
113.10760	24.6
114.09163	49.1
115.07603	1.7
121.74492	0.8
128.03923	0.8
193.01791	0.9
208.18266	1.1
209.16479	71.3
226.19131	8.2
227.17525	26.1
228.15938	2.1
275.68622	0.9
322.24872	41.1
340.25943	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	340.2842
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05511	7.1
57.03448	0.8
57.07071	2.2
60.04529	22.6
64.79910	0.7
67.05482	5.5
69.07071	15.4
71.08613	1.6
79.05488	1.1
81.07054	10.8
83.08620	13.6
91.05441	1.5
93.07037	2.2
95.08595	12.9
97.10162	9.6
105.07021	1.0
106.22242	1.0
107.08559	2.0
109.06529	1.1
109.10146	6.8
111.11709	2.0
119.08569	1.4
121.10114	4.4
123.11692	3.2
137.09584	1.5
142.15895	11.2
147.11647	1.9
149.13283	1.6
154.12221	5.7
161.13199	1.2
172.13327	4.5
175.14648	1.0
257.06409	0.9
262.25595	1.1
263.23669	1.4
280.26282	11.6
298.27432	14.3
322.27307	1.3
340.28482	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	341.1233
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.60815	0.5
59.95738	0.6
61.86971	0.6
65.29674	0.6
91.05476	3.5
91.99808	0.6
119.04935	12.5
122.04138	0.7
147.04404	100.0
288.69308	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	341.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19389	0.2
53.85287	0.2
57.01956	0.3
66.26425	0.3
70.46018	0.3
71.04984	0.4
76.21601	0.3
81.03414	2.5
85.02872	0.4
91.05470	2.6
107.27779	0.3
109.02874	1.7
113.06039	0.3
119.04938	11.7
119.05752	0.6
137.05980	1.3
147.04405	100.0
165.05486	1.3
217.08699	0.4
310.44690	0.3
323.11188	5.1
325.12988	0.3
341.12579	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	341.123
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.55998	0.2
53.29302	0.3
54.47315	0.2
65.08248	0.2
72.55124	0.3
81.03403	0.6
91.05494	2.2
104.32678	0.3
109.02878	0.5
110.57494	0.3
113.92136	0.3
119.04937	10.1
126.26374	0.3
147.04402	100.0
277.91299	0.3
283.21161	0.3
288.48120	0.3
326.82761	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	341.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01862	1.5
57.03437	9.1
58.66805	0.9
58.84200	0.9
67.50492	1.1
69.03429	45.5
71.04993	5.4
73.02909	2.7
79.05496	2.3
81.03426	13.5
85.02901	30.4
90.99506	1.3
91.05474	5.3
97.02888	18.2
99.04469	7.9
103.03939	2.4
103.05461	5.7
107.04942	7.2
109.02877	6.2
111.04451	1.2
115.03945	1.8
119.04943	15.9
121.06497	2.6
127.03912	31.8
129.05441	2.4
131.04918	18.5
135.04385	8.6
137.05978	100.0
143.04967	1.5
145.04961	8.6
145.06467	2.1
147.04402	45.7
149.05969	12.6
151.03813	1.2
151.07527	29.6
159.04381	4.4
161.05913	5.3
163.07526	18.9
165.05533	1.9
167.07045	13.4
169.06425	3.9
175.07532	9.4
177.05441	12.2
179.03145	1.4
179.07010	31.9
187.07555	4.5
189.05522	2.4
191.07033	14.9
193.08624	1.7
197.05930	2.1
201.09171	1.5
203.07047	6.5
208.55574	1.1
209.08110	2.3
215.07030	6.5
217.08510	1.7
221.08054	2.1
229.08571	5.3
233.08136	2.3
257.07904	4.3
288.60251	1.1
293.10361	1.3
311.11304	4.1
323.11246	4.5
341.08493	4.1
341.12537	8.9
353.94833	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	341.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35917	0.9
55.01877	1.9
57.03445	9.3
58.07376	1.0
63.07240	0.9
69.03429	44.7
69.33053	1.1
71.01336	2.6
71.04990	4.9
72.58294	0.9
73.02911	2.6
79.05486	1.6
81.03419	12.5
82.06950	1.1
85.02904	26.5
90.42985	1.0
91.05473	5.1
94.04202	1.2
94.90727	1.3
97.02881	17.9
99.04459	8.2
103.03941	1.4
103.05466	6.2
107.04950	5.8
109.02863	4.2
111.04443	1.0
115.03893	2.3
115.05474	1.2
117.06966	1.5
119.04937	18.1
121.06448	1.6
127.03908	38.1
129.05489	4.5
131.04938	16.8
133.02888	1.8
133.06435	1.2
135.04413	5.8
135.08072	1.2
137.05978	100.0
143.04918	4.7
145.04987	12.2
145.06493	3.9
147.04398	49.5
149.05952	13.7
151.07539	29.5
159.04448	5.6
161.05980	4.8
163.07523	22.7
165.05487	1.6
167.07016	17.3
169.06508	5.6
175.07541	15.0
176.04703	1.9
177.05447	15.5
179.03281	1.4
179.07025	33.9
179.08507	1.6
187.07578	2.0
190.50923	1.1
191.07034	14.6
193.08601	4.3
197.06018	4.2
201.09120	1.9
203.06964	7.3
209.08098	4.8
215.07076	6.3
217.08598	1.7
221.08089	1.9
229.08611	4.7
257.08139	2.5
275.09149	4.6
293.10303	1.6
297.14490	1.1
311.11334	4.7
323.11301	4.8
341.08777	2.7
341.12180	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	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01861	3.1
57.03435	1.7
69.03433	15.9
71.01357	0.8
71.04989	5.3
75.04468	0.7
78.54525	0.7
81.02985	1.2
81.03424	21.1
85.82636	0.8
87.04472	0.7
97.83225	0.7
99.04435	7.2
107.04933	2.6
107.09807	0.6
109.02902	1.3
117.05486	1.3
119.04893	1.6
133.02850	2.5
147.04420	13.9
151.03848	1.0
161.02380	2.6
161.07072	1.4
163.08650	2.6
173.07062	0.8
179.03413	9.4
182.41315	0.7
189.06639	7.5
191.08177	8.7
202.64996	0.7
207.07648	100.0
294.22537	0.8
305.11591	0.9
323.12357	25.5
341.13446	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
62.69460	0.6
77.53304	0.8
78.23696	0.7
89.87934	0.8
91.05461	3.6
109.02865	1.0
109.06513	1.0
119.04938	13.1
129.06984	2.9
132.04445	1.2
132.95233	0.8
133.04794	0.7
137.05977	36.1
147.04411	100.0
150.05489	1.1
151.07561	1.2
155.56505	0.8
157.06474	1.7
161.05920	0.9
172.05260	1.1
174.06728	4.2
175.07635	1.8
178.05032	1.5
179.03404	1.3
179.05350	1.6
182.12891	1.8
187.07552	18.0
189.09126	7.6
203.08646	1.6
211.07466	0.9
217.08633	9.1
219.08122	3.5
220.08900	0.9
231.08090	4.5
233.09489	1.1
234.28595	0.8
237.08815	1.0
247.07483	1.6
248.08287	4.6
251.10599	1.5
255.06459	1.5
259.07608	1.3
260.08191	1.1
261.09036	1.3
263.10602	6.4
265.08347	1.0
268.06836	0.8
270.08875	3.4
271.09659	1.9
276.07950	3.7
277.08820	0.9
279.10226	5.9
280.10999	0.8
281.07983	1.1
291.10114	14.3
293.08026	3.4
296.10446	3.6
297.10968	0.8
308.10596	1.0
311.12796	6.0
323.12686	13.6
341.13821	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.52217	1.7
71.04992	3.0
83.99162	2.2
91.05481	2.4
119.04960	2.6
119.08622	2.7
129.06961	2.4
133.02859	4.8
137.05969	100.0
147.04395	10.0
151.07588	4.1
157.06485	3.5
160.05139	2.6
165.05449	4.1
174.06761	4.2
175.07521	17.7
177.05493	6.5
177.09077	1.9
179.07092	4.5
187.07541	41.5
189.09109	12.0
199.07504	4.2
203.08542	8.9
211.07512	17.2
217.08566	17.2
219.08012	3.4
227.07051	2.5
231.08006	12.9
232.28539	1.8
239.07045	18.2
240.07787	8.7
241.08716	2.1
248.06003	1.8
248.08176	13.3
251.10782	2.9
255.06476	10.0
256.07315	11.8
259.07562	4.6
260.08252	2.1
261.09131	2.0
263.10599	24.7
264.07764	2.9
265.08698	3.4
270.08893	42.4
271.09613	53.5
271.12384	3.1
276.07831	12.5
277.08707	7.3
279.10217	15.3
280.10797	2.8
283.09720	18.4
291.10129	70.5
293.08099	7.9
296.10452	8.1
305.11627	2.8
308.10492	12.6
311.12762	16.2
323.12787	61.0
341.13821	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Myricanene B
Peak:m/z	Relative Intensity
51.57380	0.7
67.05473	1.0
69.07059	1.2
81.07040	1.4
91.05457	1.5
93.07008	1.1
100.27209	0.8
105.07024	4.2
107.08620	1.8
109.06515	3.5
119.08567	7.1
121.06482	4.4
121.10132	2.1
133.06487	10.9
133.10132	2.1
137.05959	1.5
145.10121	1.6
147.04411	1.8
147.08009	3.3
149.06065	1.2
155.08426	1.1
159.08023	1.5
161.05939	6.6
165.05440	3.9
175.07538	5.0
177.05415	1.1
179.06969	0.8
179.10641	1.7
181.06502	5.5
183.61029	0.9
187.68661	1.0
193.10132	1.6
193.97487	0.9
197.09590	5.2
201.12730	1.1
209.05983	4.0
211.11224	4.9
213.09283	0.9
219.10130	15.8
221.09610	5.1
223.07568	1.2
223.11166	4.5
224.08177	1.3
225.09042	8.2
229.08449	1.4
229.12158	3.8
235.14722	1.1
237.12698	0.9
238.09952	1.7
239.10622	4.7
240.07831	3.9
241.08736	2.1
245.11775	1.0
248.11868	1.5
249.09041	1.6
251.10680	1.1
252.11423	1.7
253.12411	1.3
253.15768	3.3
255.10040	1.3
256.10950	2.2
257.11807	4.2
259.13522	1.5
263.14319	1.7
267.13840	3.9
269.11694	1.0
271.13287	10.7
281.12042	1.7
281.15347	11.1
281.18625	1.6
283.13156	3.1
299.12949	1.9
299.16397	5.1
323.16220	1.2
326.15128	1.3
341.10617	2.7
341.17456	100.0
354.98553	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	341.1746
Annotation	Myricanene B
Peak:m/z	Relative Intensity
55.77750	0.6
59.05008	1.3
60.62982	0.5
69.39158	0.5
71.11764	0.7
81.07056	2.4
91.05478	0.6
92.17609	0.7
95.04925	0.9
97.62544	0.7
105.06998	0.7
109.06532	1.4
113.68452	0.7
117.70908	0.6
119.08566	1.4
121.06491	1.3
133.10146	0.7
134.17418	0.5
159.11766	0.8
161.09586	0.8
179.57793	0.7
181.06459	5.7
193.10114	1.2
195.08028	0.8
195.11700	1.6
197.05925	1.1
197.09718	0.9
197.13306	0.9
209.05965	11.8
211.11160	1.3
221.09517	4.5
221.13275	1.2
223.11124	3.3
225.05428	4.0
225.09029	1.3
231.10173	0.9
233.11662	0.9
237.08981	1.1
238.10031	0.7
238.13510	0.7
239.10635	3.8
240.07750	4.4
241.08601	7.2
243.06548	1.0
245.11638	1.0
249.09056	2.7
252.11378	1.3
253.08545	0.8
255.10127	0.8
257.08179	3.3
257.11563	2.7
263.10443	0.8
263.14493	1.2
265.08667	1.1
267.10138	1.3
268.10889	2.5
270.12341	0.7
271.13315	1.0
280.10922	3.1
281.11801	1.5
281.15112	1.1
281.19003	2.5
283.09955	2.0
283.13266	14.4
298.11966	1.3
299.12662	5.6
299.20087	1.2
309.14780	0.8
311.12802	1.0
323.16348	1.5
326.15149	3.0
341.17453	100.0
341.20819	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	341.1747
Annotation	Myricanene B
Peak:m/z	Relative Intensity
73.06174	2.8
73.06559	59.3
74.25370	2.1
76.96365	2.1
79.80771	2.1
81.81300	2.2
83.04975	12.7
91.05496	3.0
95.08611	4.2
100.80242	2.8
105.07046	4.0
107.08596	4.6
109.10165	3.4
118.10757	2.4
119.08585	4.7
133.10147	5.1
136.11241	2.3
145.10144	3.4
147.04404	18.3
183.11678	2.9
221.09608	11.1
235.14497	2.4
249.09111	3.4
259.07568	2.7
263.14273	2.7
267.10126	4.6
269.11639	3.2
281.08261	2.4
281.11795	2.5
281.15408	2.4
281.18857	5.1
298.11914	2.9
299.20081	3.4
309.14502	3.1
323.16324	3.1
341.13742	20.3
341.17471	100.0
341.21164	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95592	2.3
59.24300	2.5
64.54512	2.5
81.07035	4.8
83.04943	3.8
91.05457	4.8
93.07017	12.0
95.05006	2.7
95.08624	3.0
105.07053	10.9
119.08567	13.0
129.06963	6.0
131.04913	6.6
131.08566	3.7
133.06438	4.2
133.10069	4.1
135.07980	3.4
143.08578	14.0
145.06560	4.1
147.04417	3.3
147.08023	4.2
151.07497	20.1
155.08546	11.1
159.08096	3.4
165.06982	3.8
167.08606	3.0
169.10150	12.0
178.07843	4.0
179.08566	16.7
181.10100	5.6
183.11633	4.3
191.08578	5.8
191.10526	2.8
192.09407	6.0
193.10121	11.1
195.11789	3.9
197.09627	5.4
197.13220	3.7
205.10074	3.9
206.10913	34.1
210.10376	3.2
211.11276	5.8
211.14816	10.5
221.13249	44.3
239.14281	100.0
240.50294	3.9
257.15512	4.0
281.15277	3.2
283.16818	3.2
299.16455	14.7
341.13818	4.1
341.17633	15.4
341.21378	7.3
341.26721	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	341.1748
Annotation	Myricanene B
Peak:m/z	Relative Intensity
51.43709	0.7
59.05009	1.1
74.99460	0.7
92.17757	0.7
103.85011	0.7
109.06474	0.8
116.75063	0.7
119.08585	0.7
133.03943	0.7
181.06569	2.4
197.06084	0.9
197.09778	0.8
209.05905	2.6
210.99687	0.7
219.10237	0.8
221.09561	3.1
225.09088	3.7
226.05998	1.1
235.10860	0.7
235.41835	0.7
238.09833	1.1
239.10695	3.2
240.07813	3.7
241.08635	4.2
245.11636	0.8
253.12097	0.8
254.89731	0.6
255.10165	1.1
256.11041	1.1
257.07968	0.8
257.11813	0.7
263.14319	1.1
265.08496	0.7
268.10880	5.2
271.13309	0.9
281.15286	0.9
283.09915	1.9
283.13205	12.8
298.11932	5.6
299.12732	5.1
311.12811	1.2
326.15106	6.5
341.17468	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	341.1747
Annotation	Myricanene B
Peak:m/z	Relative Intensity
57.04578	0.7
59.04985	3.3
62.91727	0.7
63.53843	0.7
85.92160	0.8
91.05465	0.9
92.17858	1.2
96.43417	0.7
105.07053	0.8
109.06500	1.3
110.71664	0.7
119.08566	3.7
133.06490	1.0
135.08084	1.4
137.05980	1.4
145.10135	1.2
147.08109	1.2
153.06924	1.3
161.06000	1.1
175.07613	3.0
179.10640	5.3
181.06479	10.6
187.07535	0.8
193.10150	1.1
195.11752	1.0
197.09601	1.4
209.05998	7.1
209.09625	0.9
211.11273	1.7
213.09088	1.5
215.10687	1.4
219.10133	8.9
221.09586	3.8
221.13188	1.1
223.11176	3.8
225.05461	1.1
225.09125	7.9
227.07126	1.0
229.08630	3.5
229.12216	4.2
235.14946	1.0
239.10710	3.4
240.07817	5.3
241.08673	7.6
245.11859	2.8
249.09137	1.5
251.10625	1.2
253.12207	1.3
255.10114	1.6
255.13753	1.4
256.10922	4.8
257.11771	6.4
259.13165	5.6
263.14203	1.4
266.13120	0.8
267.13779	7.4
271.13306	15.6
271.16382	1.6
281.11807	1.5
281.15311	4.4
281.18881	1.2
283.13242	5.6
298.15485	1.9
299.12799	3.3
299.16455	7.6
299.19693	1.5
323.16299	1.3
341.17453	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	341.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
67.05495	1.2
69.07045	3.3
71.04968	0.8
75.85286	0.5
79.05508	0.8
81.07050	3.2
83.04958	2.0
83.08604	2.1
91.05479	1.1
92.17945	1.1
93.07018	2.4
95.04932	1.0
95.08585	2.7
97.10132	0.6
105.03355	1.2
105.07021	2.0
106.58894	0.5
107.08570	0.8
109.06475	0.6
109.10124	2.1
111.08082	0.7
113.04057	1.0
117.07062	0.6
119.04977	0.7
119.08553	2.3
121.10113	1.3
123.11705	0.9
127.05518	0.6
131.04918	2.1
131.08536	1.2
133.10124	2.1
135.08026	0.8
137.05969	2.9
141.07101	1.0
143.08508	0.8
145.10158	0.8
147.04422	5.5
147.07980	0.9
147.11736	0.7
153.07100	0.6
157.10104	1.1
159.11661	1.3
161.09584	0.8
163.05624	0.8
167.08635	1.1
169.10107	2.4
171.11696	2.3
173.85919	0.5
177.05486	1.0
177.07098	1.8
179.06943	0.6
179.08627	1.1
181.10130	2.8
183.11653	0.9
185.13263	0.6
187.11180	2.3
189.05521	3.9
189.06956	0.6
191.08730	1.0
193.10085	2.2
195.08134	0.6
195.11685	2.6
197.13190	0.7
199.11119	2.0
201.12674	2.0
203.08803	0.9
204.17555	0.5
205.10378	0.6
207.11714	0.8
209.09709	0.6
209.13197	4.5
211.14789	0.6
213.12646	1.1
215.08688	2.7
217.10330	1.3
219.06482	0.8
219.11722	2.3
223.11133	0.6
223.14745	1.2
225.12627	0.6
227.08719	0.9
229.10284	3.2
231.08061	0.7
231.11702	0.9
237.12703	1.0
237.16475	0.9
239.08778	0.7
241.10243	2.8
243.08234	2.8
243.11948	2.5
245.13405	3.0
246.14156	0.8
251.17987	4.1
253.10410	1.8
253.15846	0.6
257.09851	2.8
257.13385	1.3
261.16394	2.0
271.11389	2.4
271.14978	2.3
276.63513	0.5
279.17377	4.9
281.13416	2.1
283.15005	1.0
285.13071	1.2
286.13757	0.8
291.10043	0.9
297.18442	2.8
299.14478	0.9
313.19675	4.2
323.12695	0.6
323.18146	8.0
341.10257	4.1
341.14328	3.9
341.19162	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	341.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38255	0.7
55.05502	2.7
58.32995	0.6
67.05511	2.0
69.07066	1.4
73.22755	0.7
81.07037	1.6
83.04971	2.8
83.08604	2.7
91.05450	1.4
93.07027	1.2
94.41461	0.8
95.08569	0.9
98.90489	0.7
100.15202	0.8
100.21319	0.6
103.05685	0.7
105.07014	0.8
107.08595	1.1
119.04917	0.8
119.08535	0.9
121.10122	1.4
123.11673	1.0
131.04829	1.0
131.08574	1.6
137.05942	1.6
139.05630	0.9
143.08524	1.7
145.10063	0.7
147.04366	7.8
147.11665	0.7
157.10095	1.4
159.07939	0.8
159.11676	1.0
161.09605	1.2
163.05560	0.7
167.08678	1.6
169.10091	1.4
171.11626	0.7
173.09755	0.9
177.07164	0.8
179.08640	1.1
181.10126	3.1
185.13139	1.0
187.11156	3.0
193.10121	1.7
195.11682	3.5
199.11203	1.6
203.08641	1.2
207.11696	0.9
209.13217	5.1
213.12613	1.1
215.08727	2.7
219.11795	1.1
221.13243	1.0
223.11218	0.8
225.12671	0.9
229.10315	1.1
231.11839	1.2
237.12747	2.7
241.10258	2.8
243.08224	3.5
243.11867	5.4
245.13461	1.4
251.17868	3.3
253.10269	1.2
255.11961	1.6
257.09845	2.9
257.13446	2.5
259.11343	0.7
261.16388	1.4
267.11890	1.2
269.13403	1.0
271.11313	3.7
271.15021	2.9
279.17377	4.9
281.13483	3.4
283.15024	1.2
285.12955	1.0
285.16492	0.8
291.10355	0.8
297.18515	4.7
299.14691	1.2
313.16339	0.7
313.19647	4.5
323.18106	5.3
341.19174	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	341.211
Annotation	Sucutinirane C
Peak:m/z	Relative Intensity
57.07077	4.2
63.75614	1.7
69.07066	3.4
72.98921	1.9
80.02641	2.1
83.08618	7.3
85.06542	2.2
91.05485	2.2
93.07025	3.6
97.06525	10.4
97.60325	1.7
105.07021	10.8
107.08585	8.3
109.10160	3.7
111.08048	2.1
119.08566	100.0
121.10150	3.2
123.11712	2.1
125.05955	7.8
125.09634	11.2
129.07053	3.5
131.08557	21.3
133.06543	4.5
143.08560	11.9
145.10118	24.1
149.09660	1.9
155.08508	7.9
157.10158	10.6
159.08072	2.6
159.11610	2.1
161.09569	2.4
168.09268	2.1
169.10130	10.8
171.11664	8.0
173.09598	3.1
173.13223	18.5
175.11186	2.4
183.11710	14.5
185.13255	7.3
187.11227	3.1
187.14839	10.9
189.12823	2.4
195.11784	2.5
197.13145	2.5
201.12680	2.8
207.11652	2.8
239.14255	2.8
239.17979	2.7
253.19429	4.5
275.48770	2.1
281.18893	25.2
299.20010	45.1
305.88474	2.0
341.21045	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2112
Annotation	Sucutinirane C
Peak:m/z	Relative Intensity
51.15161	1.2
52.25790	1.1
57.07075	2.5
67.05514	1.3
69.07065	5.9
71.01360	1.5
72.96730	1.3
83.08610	2.6
85.06558	2.0
87.75555	1.2
91.05516	1.6
93.07057	3.0
97.06525	7.5
105.07022	2.2
107.08600	7.4
109.10148	3.1
110.75228	1.2
111.08067	1.8
117.07016	1.7
119.08579	100.0
125.05978	7.3
125.09615	10.9
125.25210	1.2
131.08591	13.6
133.06471	1.5
133.10124	5.1
135.08081	2.0
135.22972	1.3
137.09541	1.8
143.08565	6.5
145.10155	15.5
145.11293	1.3
145.11664	1.1
147.11670	1.9
155.08546	6.6
157.10126	9.0
159.31198	1.2
169.10158	7.6
171.11667	3.0
173.09641	6.5
173.13223	21.4
183.11700	11.4
185.13286	2.6
187.11285	1.9
195.11679	1.6
197.13199	2.6
201.12834	1.3
207.11667	2.1
214.47430	1.4
215.14267	1.3
221.13237	1.9
225.12683	2.8
237.16371	2.4
239.17940	5.0
253.19490	2.4
263.17877	2.1
281.19022	18.2
299.20053	53.4
300.20538	1.5
314.79877	1.3
332.61661	1.6
340.76379	1.4
341.17233	1.3
341.21118	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2111
Annotation	Norethindrone acetate
Peak:m/z	Relative Intensity
55.05514	2.0
56.01819	1.7
61.04901	2.0
67.05503	4.9
69.03408	2.2
69.07066	2.1
70.87096	2.1
72.41438	2.0
79.05492	3.4
81.07061	8.4
83.04907	2.0
91.05487	5.3
93.07014	11.5
95.08613	22.0
97.06533	4.5
105.07029	14.7
107.08604	23.1
109.06475	2.8
109.10151	4.1
113.36861	2.1
119.08569	37.7
121.10141	10.6
123.08081	3.7
125.09606	3.0
131.08528	12.8
133.10100	10.4
135.08022	5.1
137.09612	4.5
143.08539	11.7
145.10136	19.4
147.08026	2.6
147.11678	4.0
149.09598	3.4
155.08620	3.5
157.10141	12.0
158.98303	2.1
159.08051	10.7
159.11668	5.1
161.09613	7.7
166.90190	2.1
167.08580	2.6
169.10098	12.9
171.11661	10.0
173.09612	11.4
173.13243	8.0
174.10400	3.4
175.11160	16.5
179.08623	2.3
181.10101	5.1
183.11610	5.3
185.13185	9.0
187.11200	3.9
193.10072	3.5
195.11700	14.3
197.09583	4.6
197.13261	13.2
198.10388	5.1
199.11168	4.3
201.12692	10.4
207.11604	5.1
209.13246	4.1
211.11325	16.6
211.14755	9.0
213.12758	23.8
220.12332	2.8
221.13322	4.0
223.14857	3.2
225.12743	8.6
226.13499	4.1
233.13313	2.3
239.10533	2.9
239.14304	8.2
250.03893	2.1
253.19513	11.3
257.15155	3.2
263.17862	5.4
266.16742	4.8
280.10837	4.5
281.15912	4.7
281.18958	100.0
299.20050	54.9
323.16455	13.8
341.17383	28.5
341.21136	94.2
341.25089	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	341.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16108	1.0
54.35028	1.0
55.05498	5.5
56.27272	0.9
57.07063	6.1
58.48871	0.9
59.03853	1.0
67.05492	1.5
69.07072	10.3
71.15321	1.1
74.27990	1.1
76.48160	1.3
79.05482	5.0
80.43875	1.1
80.47173	1.1
81.07040	5.8
81.59619	1.3
83.04964	2.3
83.08618	13.0
85.06525	2.6
91.05461	7.9
92.18399	1.1
93.07053	10.5
95.04950	1.8
95.08596	6.3
97.06519	14.5
105.07063	11.9
107.04972	1.3
107.08587	13.2
109.06512	5.4
109.10151	8.1
111.08072	1.6
117.07027	2.8
119.08574	100.0
121.10123	6.1
123.08037	4.9
123.11722	1.5
125.05935	4.6
125.09608	7.8
128.06210	1.9
129.07033	4.5
131.08560	20.7
133.06483	5.5
133.10118	8.6
135.08020	6.9
137.09601	5.8
141.06952	5.0
142.07751	4.3
143.08562	16.7
145.10112	27.2
147.08035	2.0
147.11693	4.3
149.09601	2.9
151.11192	1.5
155.08563	11.8
156.09300	5.2
157.10127	18.5
159.08035	2.2
159.11662	8.2
161.09639	7.2
167.08560	1.4
168.09309	2.4
169.10107	20.9
170.10895	1.8
171.11629	16.2
173.09650	10.0
173.13240	21.7
175.11206	2.4
179.08578	2.2
181.10054	5.8
183.11674	28.4
185.09596	1.9
185.13206	12.8
187.11172	4.4
187.14812	9.0
192.09239	1.8
193.10104	2.1
194.10945	1.4
195.11644	2.0
197.09599	2.1
197.13208	7.5
199.11209	1.3
199.14644	1.5
201.12711	6.1
206.10922	2.3
206.76529	1.2
207.11679	7.5
209.13261	8.2
211.11143	2.7
211.14807	2.5
215.14371	2.2
219.11542	1.9
220.12514	1.9
221.13235	7.5
223.14806	5.3
225.12675	7.7
233.13193	5.2
237.16376	6.7
238.13519	1.9
239.14259	4.9
239.17906	6.2
248.15575	6.3
253.19475	2.9
263.17896	13.1
281.18985	44.5
299.20047	65.9
300.20895	1.3
334.40399	1.2
341.17371	3.6
341.21085	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.211
Annotation	Norethindrone acetate
Peak:m/z	Relative Intensity
51.71531	1.3
55.05515	3.5
57.07069	3.5
57.48463	1.2
59.20274	1.2
60.79100	1.3
67.05503	2.7
68.01750	1.5
68.63152	1.4
69.07060	3.0
79.05494	1.4
79.23995	1.5
81.07074	5.9
83.04986	2.1
83.08602	6.8
84.41718	1.5
85.06516	2.3
86.54402	1.6
87.84534	1.5
91.05472	3.6
93.07004	6.8
95.08614	7.5
97.06541	9.5
105.07024	8.4
107.08589	8.8
109.03639	1.8
109.06487	2.5
109.10175	8.1
117.07011	1.7
119.08571	100.0
121.10130	7.6
123.08119	2.0
123.11715	2.9
125.05989	3.8
125.09673	3.3
131.08554	15.7
133.06482	6.0
133.10092	11.4
135.08093	1.6
135.11667	2.6
135.84496	1.6
137.09615	2.8
141.07028	1.7
143.08543	10.8
145.10106	17.6
147.04373	2.9
147.08047	2.2
147.11656	1.9
149.09535	1.8
155.08539	6.0
157.10139	9.6
159.08058	2.4
159.11667	3.6
161.09575	2.2
167.50653	1.8
169.10107	9.3
171.11685	7.8
173.09607	8.8
173.13234	20.0
175.11288	2.2
183.11745	14.9
185.13257	6.0
187.14809	2.4
195.11635	3.2
197.13258	3.8
203.10843	1.8
207.11626	2.2
211.11195	1.6
211.14751	5.7
221.13388	1.7
222.14131	2.1
223.14795	2.4
225.12689	3.2
237.16541	1.5
239.17973	2.4
250.41069	1.5
253.19563	5.9
263.18204	2.7
281.19046	26.2
299.20056	51.3
341.13947	2.5
341.17441	5.3
341.21078	44.1
341.25061	2.4
355.16336	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	341.2112
Annotation	Sucutinirane C
Peak:m/z	Relative Intensity
51.86874	2.6
55.05500	4.3
56.20415	3.2
57.07077	5.0
67.05479	3.8
69.07070	17.0
69.45044	3.4
71.43896	3.8
81.07038	5.6
83.08619	5.7
91.05482	6.6
91.88193	3.7
93.07027	23.5
95.04915	3.8
95.08595	20.0
105.07015	19.5
107.08572	30.4
109.06523	6.7
109.10157	8.7
119.08572	49.3
121.06483	3.5
121.10148	17.8
123.08064	4.4
123.09283	4.7
123.11714	6.4
124.41334	3.4
129.07019	3.9
131.08539	5.0
133.06451	5.0
133.10118	17.0
135.08051	15.3
143.08588	6.8
145.10114	19.2
145.62447	3.6
147.04407	5.6
147.08023	17.1
147.11691	16.8
149.09630	5.5
155.08539	18.2
156.01564	3.7
156.09247	4.0
157.10127	22.0
159.08061	4.3
159.11653	6.4
161.09625	8.4
169.10124	16.4
171.11664	14.6
175.11267	4.4
181.10133	6.5
183.11703	18.6
185.09615	16.2
185.13205	6.5
187.11151	7.9
188.65240	4.0
193.10216	3.6
195.11716	8.0
197.09572	6.7
197.13220	9.2
206.10902	6.4
209.13303	14.5
211.11203	7.8
211.14787	7.5
221.13245	6.4
223.14778	4.9
225.12732	13.6
237.16241	5.5
239.14296	21.2
239.17961	4.4
248.15506	5.9
253.19478	9.0
263.17917	5.5
272.32639	3.8
277.07541	6.1
281.18988	100.0
295.08591	9.0
299.20071	54.2
341.13995	4.9
341.17331	18.0
341.21115	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.5
57.07088	51.9
59.09214	2.8
60.23421	2.4
67.05499	12.1
69.07072	100.0
69.52220	3.1
71.08626	26.8
72.76231	3.2
78.07441	2.8
78.67911	3.0
81.07057	37.7
83.08620	81.5
85.10180	28.3
93.07040	11.7
95.08610	41.0
97.06521	12.9
97.10180	65.6
105.07039	6.5
107.08583	21.9
109.10168	30.5
111.08092	4.6
111.11723	31.7
115.07578	6.0
119.08540	7.0
121.10122	14.9
123.11699	18.6
125.13267	14.6
127.07516	4.7
129.09062	4.0
133.10152	15.8
135.11696	11.6
137.09624	4.2
137.13251	7.1
141.09093	4.5
147.11690	13.4
149.13297	15.3
151.11153	6.0
151.14847	3.6
153.12747	4.3
155.10712	6.7
161.13272	13.3
163.14821	4.1
165.12732	12.6
167.14307	3.3
169.12227	6.4
174.96318	2.8
175.14870	3.9
179.14325	12.2
183.13852	11.3
193.15901	5.2
197.15414	7.3
239.20010	3.6
241.21509	5.0
249.22169	3.7
263.27222	4.2
264.51608	2.8
287.27371	9.9
287.30200	3.6
305.28436	12.1
323.29263	2.9
341.17508	3.1
341.30344	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	342.116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12130	0.6
69.03439	0.9
70.06579	1.1
71.04976	1.3
72.08134	0.7
81.03419	11.3
83.03551	0.6
85.02882	2.9
89.23820	0.6
92.17999	1.0
97.02879	1.6
99.04436	0.9
99.08039	1.0
103.05461	7.2
105.06995	1.0
106.06525	9.1
107.01309	0.7
107.04942	13.3
109.02866	14.3
114.05511	0.7
120.08092	14.1
124.03938	3.9
125.04249	0.9
127.03926	4.2
131.04919	98.3
143.94502	0.8
148.07559	1.3
149.05956	1.7
157.69911	0.7
158.04488	5.7
164.08258	0.9
168.15726	0.9
176.05550	1.7
178.88069	0.8
180.06299	36.4
194.22398	0.7
219.08633	0.8
222.07292	2.5
252.08426	1.5
282.09421	5.8
283.11807	3.2
293.10211	1.1
307.11658	2.8
324.10770	2.9
324.14386	0.8
325.12793	5.2
342.11621	100.0
342.15497	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	342.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
64.84575	0.3
71.04966	0.4
79.05487	0.4
79.79745	0.3
81.03423	9.8
85.02893	0.8
87.60680	0.3
97.30312	0.3
99.04453	0.5
102.19052	0.3
103.05464	9.7
105.07057	1.2
106.06551	5.5
107.04958	5.2
109.02879	10.3
113.05968	0.5
127.03918	1.6
131.04926	100.0
141.05449	0.6
148.07556	0.7
149.05981	0.6
159.06551	0.4
161.80270	0.3
180.06416	0.7
196.82207	0.3
219.08649	0.5
238.73503	0.3
283.11765	3.7
307.11716	3.1
325.12747	4.5
342.11649	0.6
342.15469	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	342.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32638	0.5
53.03965	0.5
56.86432	0.4
65.01421	0.8
71.04967	0.5
72.43433	0.4
79.05464	0.8
81.03424	16.7
81.15378	0.4
85.02903	1.8
88.34365	0.5
99.04454	2.3
103.05469	8.5
105.07007	0.9
106.06561	7.0
107.04945	6.7
109.02876	14.3
113.06000	2.5
123.69715	0.5
127.03927	1.1
131.04926	100.0
141.05464	2.6
147.04439	2.1
148.04718	3.9
148.07591	0.7
149.05965	1.1
149.26947	0.5
159.06601	0.5
208.08470	0.7
219.08650	2.8
266.14441	0.6
283.11841	4.4
307.11758	5.3
325.12839	6.8
342.15472	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	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15942	1.2
55.76588	1.2
57.03436	7.7
57.07079	12.3
57.57649	1.1
67.64491	1.1
69.03384	1.6
71.04976	2.4
85.02903	8.0
85.06543	15.7
87.38392	1.3
89.11766	1.2
95.04968	6.4
101.06026	2.7
103.07583	100.0
113.05998	6.1
127.03885	1.5
127.07541	8.3
145.04935	1.4
145.08629	3.0
147.04362	2.9
148.04756	6.7
163.09641	45.5
183.28168	1.4
208.07959	1.5
325.47565	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.5
61.02925	1.4
69.03424	2.1
71.04970	1.2
71.08652	1.0
74.94975	0.8
77.60941	0.7
81.03423	3.5
81.07038	1.1
85.02910	13.9
97.02896	4.2
99.04476	1.4
99.08090	15.4
103.07544	1.5
107.16110	0.8
109.06487	1.5
117.09130	100.0
120.08096	4.8
127.03889	3.5
127.07548	5.9
142.98756	0.9
145.04932	1.3
153.53906	0.8
156.65671	0.8
163.09665	17.6
180.08687	1.1
180.12318	2.0
207.07663	1.1
208.08031	1.9
307.13965	1.1
324.12854	1.7
339.01563	0.8
340.12296	0.9
342.14069	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.8
57.07084	10.8
69.03400	0.9
74.26737	0.9
83.08614	5.3
85.02910	14.9
89.05479	1.5
89.06036	44.2
92.18452	1.8
97.02888	4.7
101.09662	17.0
107.07069	36.5
127.03922	2.2
145.04984	1.1
163.13283	100.0
266.08456	1.1
307.40375	1.0
330.38040	1.1
342.13641	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	343.0811
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
55.94558	0.3
64.55508	0.3
82.78635	0.3
82.90946	0.3
87.12071	0.3
92.17884	0.3
103.75592	0.3
105.89423	0.3
113.88648	0.3
155.24008	0.3
226.24786	0.3
256.07288	4.9
267.06555	1.5
284.06787	12.2
299.05527	5.4
299.08762	0.7
300.06226	1.8
311.05518	0.3
328.05652	1.5
343.08105	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	343.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	4.4
57.89305	0.8
64.81612	1.0
67.69324	0.9
69.03414	1.1
75.46275	1.0
85.02863	1.4
98.06026	1.6
98.97585	100.0
100.99131	1.8
104.10672	1.0
112.96114	1.1
112.99083	1.2
115.10336	0.9
116.98617	29.8
124.99037	1.6
130.05103	3.9
131.00177	13.1
134.99574	6.3
135.82205	1.0
143.00157	10.9
143.01790	1.1
146.99535	1.8
149.01253	11.9
151.05644	2.0
155.00060	4.4
155.04039	4.1
157.05609	2.2
158.99649	11.5
161.00032	1.2
161.01208	29.9
163.54227	1.7
171.05367	5.4
172.54716	4.7
173.01112	1.2
177.00706	1.6
179.02274	43.9
179.03748	1.8
180.05902	6.3
182.05710	1.3
189.06404	3.3
191.02283	12.8
191.04887	1.1
197.03348	10.0
200.07632	1.9
209.03308	25.1
221.03320	52.7
226.09129	1.7
227.04257	1.7
239.04373	32.9
243.07216	1.2
244.10138	1.4
244.56726	4.1
251.04176	2.2
252.08084	9.0
261.08435	4.1
278.96606	3.7
283.07022	10.8
302.08768	1.0
314.12143	1.0
319.01300	1.9
343.08832	63.8
343.16904	2.2
360.97708	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	343.1025
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.11843	0.2
57.58360	0.2
62.79245	0.2
64.07854	0.2
65.03944	0.4
67.05481	0.2
69.90488	0.2
76.58764	0.2
83.04966	0.2
84.08125	0.4
85.02940	0.2
86.09725	0.3
93.03405	0.5
95.04915	0.2
105.07053	0.3
111.04431	0.9
125.05992	0.9
133.06499	1.1
137.05988	1.2
141.05528	0.4
147.04370	0.4
148.04712	0.3
151.03905	100.0
151.04900	3.8
169.04965	1.0
173.16418	0.2
178.07309	0.3
181.08405	0.2
191.03589	0.3
206.89246	0.2
333.32700	0.2
343.09973	0.5
343.13614	5.2
343.18213	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	343.1026
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.99820	0.2
81.03397	0.3
85.02904	0.3
89.03924	1.9
102.07302	0.3
107.04944	1.2
114.35143	0.2
117.03387	3.2
131.04927	0.2
132.05272	0.3
135.04407	8.4
137.05962	0.5
145.02832	11.0
152.07068	0.4
155.84894	0.3
161.83356	0.2
163.03885	100.0
172.10107	0.2
322.77795	0.3
343.04260	0.3
343.11307	0.8
343.15198	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	343.154
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
55.01873	2.4
67.59854	1.9
71.08076	1.6
81.07059	2.6
85.02912	2.1
91.05468	10.3
95.08640	2.3
103.05461	12.0
105.07014	14.7
107.04945	21.3
107.08642	2.8
115.05457	3.6
120.76199	2.2
121.06506	3.5
122.07241	4.2
123.04412	3.8
131.04935	22.4
133.06480	12.8
135.08075	4.5
137.05984	99.6
137.07054	3.4
147.04384	12.3
149.05930	8.6
151.07549	12.1
161.05966	71.7
162.06786	33.0
163.07547	50.9
169.06557	3.5
175.07527	66.5
177.09044	4.6
181.08601	8.9
187.07465	3.1
201.09116	3.7
205.06548	2.8
205.10133	8.7
207.07936	2.4
215.08662	2.2
218.07382	2.7
219.08226	3.2
219.10112	16.8
233.09647	15.8
235.07550	4.8
237.09132	15.0
247.07561	2.8
250.06207	2.1
250.09921	4.7
253.08646	2.4
261.09097	12.5
263.06912	3.1
265.08597	29.7
265.12103	11.6
266.09293	3.6
267.10159	13.0
269.08099	12.4
269.11337	2.0
278.09256	2.7
281.08182	3.4
282.08752	4.3
283.13223	2.4
284.10471	9.1
293.11719	28.8
295.09628	3.3
297.11218	52.5
297.14423	4.0
299.09729	3.8
299.12805	60.5
310.11908	8.4
311.12741	97.0
325.14310	21.7
343.15344	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	343.1539
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
57.90218	1.0
67.05509	2.9
67.82256	1.1
68.20236	1.0
69.03416	2.7
69.07052	1.7
71.01337	1.5
79.05038	1.2
79.05477	5.2
81.03403	1.5
81.07057	2.5
83.04967	1.6
87.04461	1.7
91.05466	5.8
93.07022	11.3
95.04949	6.0
95.08608	4.3
97.06528	1.5
105.06992	7.5
107.08587	2.8
109.06510	3.0
110.05495	1.2
117.07008	2.3
119.04958	3.0
119.08569	9.9
121.06459	7.5
121.10128	6.9
123.04401	3.2
129.06981	2.3
131.08534	6.8
133.06454	5.0
133.10114	17.9
133.17207	1.2
135.08017	1.9
139.13893	1.4
143.08539	8.4
145.06520	1.4
145.10129	12.1
147.08026	6.6
147.11670	2.3
149.05975	5.3
149.09616	5.4
151.07489	1.5
153.07083	1.2
155.08517	8.5
156.09305	1.6
157.10110	7.9
159.08018	7.5
159.11665	3.0
161.05899	5.1
161.09598	5.6
167.08530	3.1
169.06407	2.1
169.10132	8.7
171.08032	2.6
171.11668	9.3
173.09558	8.5
173.13321	1.6
175.07613	1.4
177.09102	4.7
178.07722	3.1
179.08553	5.7
180.09322	2.4
181.10066	8.7
182.10913	2.5
183.11723	9.6
185.09698	4.6
185.13290	2.1
187.11247	1.7
189.09097	2.0
189.12714	1.9
193.10092	16.6
194.10843	7.1
195.08014	1.9
195.11679	9.7
197.09622	7.8
197.13200	6.1
199.07565	1.5
199.11186	5.8
201.12694	2.6
206.10841	1.7
207.11632	5.7
208.12387	1.6
209.09583	7.7
209.13199	9.3
210.10400	1.7
211.07521	2.3
211.11122	13.2
211.14658	1.9
213.09077	3.0
213.12843	2.6
215.14252	1.6
218.10941	2.0
220.12372	2.9
221.09615	5.8
221.13141	1.8
222.10350	6.5
223.11099	5.2
223.14824	8.9
224.11926	4.6
225.12756	5.4
225.16417	2.6
227.10748	1.7
227.14247	2.4
229.12273	2.5
229.15826	1.5
230.10921	1.5
231.10033	1.7
233.13243	5.5
235.11127	1.6
235.14824	5.9
236.11984	6.4
237.09070	5.6
237.12720	7.8
239.10593	6.7
239.14348	1.8
241.08540	5.6
241.12073	1.9
241.15958	2.0
246.10237	1.6
249.09070	1.4
250.13640	1.5
251.14116	10.1
253.12276	1.5
253.15897	4.9
255.10025	1.8
255.13812	5.0
257.11621	1.6
259.09451	2.3
261.12720	5.0
265.12177	2.2
265.19312	1.5
267.09955	2.2
269.15366	5.1
271.13242	1.8
279.13724	13.4
281.11938	1.6
281.15390	2.5
283.13153	2.3
285.11157	2.5
287.09146	13.2
297.14737	14.7
299.12766	5.0
299.16147	3.6
307.13202	12.9
315.15707	1.9
317.22781	1.2
325.14325	27.8
343.15363	100.0
343.18378	5.1
343.22064	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
51.97232	1.3
53.74034	1.5
54.11919	1.5
57.03414	1.7
79.05518	1.8
81.07029	1.8
91.05497	1.7
95.04963	3.6
105.03400	2.7
105.07024	9.2
109.06502	3.9
113.05982	7.1
117.06996	2.8
119.08567	2.1
123.04433	2.0
125.05917	2.0
127.07565	1.8
133.06502	2.2
143.08493	2.0
145.06477	39.7
147.08075	2.5
155.08597	2.7
157.10133	1.8
159.08090	2.9
162.00175	1.6
167.08546	1.9
171.07993	2.2
173.09595	1.8
175.07556	8.5
179.08585	2.0
181.10143	6.9
183.08006	2.5
185.09576	3.5
193.10123	3.8
195.11684	8.5
199.11127	2.2
207.11771	2.3
208.08786	1.9
209.09694	1.9
209.13216	2.3
209.94534	1.6
213.12712	8.1
219.11748	2.4
222.10329	3.6
223.11162	13.9
233.12985	2.0
237.12723	7.7
237.54654	1.6
241.12195	8.2
255.13843	3.9
265.12219	9.7
283.13257	28.7
297.14813	2.9
315.16101	2.2
325.14346	8.9
343.15399	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	343.1538
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
50.92390	1.1
65.75288	1.1
75.34401	1.3
79.05550	1.4
91.05449	1.5
92.18496	1.6
97.18034	1.3
103.05481	1.4
105.07036	5.7
107.04956	8.1
111.33030	1.4
121.06489	1.2
121.10179	2.1
122.03600	1.4
124.92976	1.2
131.04909	6.4
133.06503	5.8
135.08101	1.9
137.05972	100.0
138.43762	1.3
145.06508	2.0
147.04378	2.6
147.08072	1.5
149.05962	2.7
151.07535	5.5
153.79582	1.4
161.05946	22.1
162.06699	6.9
163.07538	17.4
167.07098	1.4
169.06450	2.0
173.09598	1.8
175.07503	15.6
177.09131	1.8
201.09000	2.6
203.71437	1.4
205.10081	2.2
219.10178	2.0
233.09576	5.3
235.07443	2.2
237.09073	6.1
239.10725	1.9
261.09152	5.8
265.08624	8.9
265.12338	3.1
267.10004	3.3
269.08139	2.0
279.10068	2.3
282.08881	5.6
284.10416	5.7
293.11594	9.7
295.09558	2.4
297.11176	32.9
297.14325	2.1
299.12692	17.4
310.11963	8.0
311.12930	9.2
325.14276	19.0
343.15445	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	343.154
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
67.05496	5.8
67.23582	3.4
69.03398	4.1
70.56231	3.1
77.16361	3.3
79.05467	6.3
81.07056	7.2
91.05466	16.8
93.07032	28.8
95.04929	7.5
95.08600	6.8
105.07018	20.6
107.04949	5.4
107.08558	5.5
109.06522	7.3
109.10129	5.5
109.55057	3.3
119.08560	52.9
121.06504	34.7
121.10112	18.9
123.04423	20.8
131.08540	16.9
133.06476	33.3
133.10138	7.8
137.05920	4.3
137.09619	5.6
143.08548	4.6
145.10045	6.4
147.04407	4.3
147.08055	55.5
147.11682	3.5
148.08800	7.0
149.05963	28.2
149.09593	13.4
151.03891	4.1
151.07491	4.5
155.08630	4.2
157.10172	4.8
159.08031	40.8
159.11601	5.0
165.05479	4.8
165.09109	14.1
167.08467	5.4
169.10127	6.2
175.07532	5.4
177.05470	7.5
179.08574	6.5
181.10094	4.7
183.11661	6.4
185.09619	4.3
191.07005	14.6
193.10092	4.4
194.11021	3.9
195.08008	5.1
195.11638	4.6
209.09595	5.8
209.13290	7.0
211.11153	6.3
223.14751	6.7
227.10712	6.3
227.14243	4.9
233.13258	5.7
237.12776	3.8
251.14198	5.1
253.12224	5.2
261.12671	3.6
265.12003	3.6
279.13641	5.2
281.11584	5.4
283.13428	4.6
295.09915	3.9
297.14804	7.0
301.21201	3.6
325.14313	35.4
343.11475	7.7
343.15329	100.0
343.18680	5.9
343.22571	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	343.1905
Annotation	Caesaldekarin J
Peak:m/z	Relative Intensity
51.67871	1.8
55.02914	1.5
61.82014	2.0
67.67822	1.7
79.05511	1.9
81.07053	3.2
88.10555	2.0
88.94443	2.0
93.07053	7.5
95.08607	2.1
107.08568	9.5
109.06520	2.1
119.08598	2.6
126.58727	2.1
131.08549	2.5
133.06519	2.4
147.08047	10.1
148.87029	1.9
149.05930	4.1
159.08025	3.9
171.11838	2.5
175.11267	2.2
179.08571	2.2
180.09235	2.1
181.10124	2.6
193.10065	3.3
195.08136	2.1
195.11655	31.9
205.62852	2.1
208.08827	7.8
208.12439	3.9
209.09613	8.5
209.13220	3.4
219.10197	8.3
222.14032	3.6
223.11165	65.6
225.09096	4.8
227.10706	2.7
229.12248	2.4
232.64098	2.0
233.09680	2.2
236.11995	2.3
237.16359	33.8
239.10608	9.9
240.11429	10.8
241.12236	2.5
245.11819	2.8
250.13416	2.6
251.10632	8.8
253.12259	13.0
254.13023	19.3
255.10245	3.4
255.13795	11.4
265.15887	45.1
267.10114	2.6
267.13763	3.5
268.11014	2.3
268.14600	3.3
269.12195	2.4
281.11816	3.1
282.12500	17.4
282.15802	3.7
283.13321	19.3
283.16360	2.7
293.15381	3.1
295.13208	3.9
297.15051	6.5
297.18466	70.3
310.15643	4.7
325.14487	4.9
325.17953	100.0
343.15298	25.0
343.19070	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1902
Annotation	Caesaldekarin J
Peak:m/z	Relative Intensity
59.04992	4.3
61.36567	0.8
63.80305	0.8
67.05511	1.2
75.79389	0.8
79.78262	0.7
84.43145	0.9
86.68761	1.0
91.05475	1.6
93.07032	1.4
94.57228	0.9
105.07034	3.3
109.06504	2.0
119.08569	5.1
121.06467	1.5
121.10137	0.9
123.04420	1.0
131.81927	0.8
133.06485	1.6
137.05992	1.1
147.07193	0.8
147.08063	15.1
149.06007	3.0
159.08028	1.0
165.06927	1.5
179.10590	1.3
181.06462	2.0
181.10152	1.7
186.31335	0.8
193.06442	5.8
193.10146	0.9
195.11632	3.5
203.10582	1.2
207.08072	3.2
207.11755	3.9
208.12587	1.1
209.06068	1.2
209.09616	20.4
211.07501	0.9
221.09691	1.2
221.13338	0.9
223.11177	14.6
223.14699	1.2
224.08257	3.5
225.09033	5.0
226.09915	1.7
227.10486	1.1
227.14043	1.0
229.12231	1.1
235.11365	2.6
237.16255	1.0
239.10680	2.0
240.11368	6.1
241.12212	8.1
251.10645	5.4
251.14265	3.8
252.11436	3.3
253.12260	2.0
254.12981	4.1
255.13782	3.9
265.12357	1.5
265.15826	5.1
267.10266	1.3
267.13754	5.6
268.10825	1.2
282.12469	3.8
282.16089	1.8
283.13354	8.2
283.16882	15.2
293.15375	1.2
295.13098	1.1
296.14136	0.9
297.18478	4.5
310.15637	1.4
325.14407	3.0
325.17889	32.2
343.15500	7.7
343.19016	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	343.1903
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
69.37380	1.9
71.78104	1.9
79.24117	2.1
81.07030	2.4
119.08501	2.3
121.10116	2.3
130.87675	2.1
132.09915	2.3
138.21222	2.0
149.52493	2.5
181.06433	3.3
189.09024	2.4
193.06566	2.5
196.51848	2.4
207.07918	2.3
207.11626	3.1
209.09535	21.9
221.09584	2.6
221.11592	3.7
223.11104	8.1
226.09793	3.6
227.10628	13.0
235.11180	3.0
241.12154	7.8
253.12177	4.1
265.15698	2.7
269.11758	10.9
269.15161	17.6
311.16394	36.9
330.13696	2.3
343.15329	11.9
343.18954	100.0
343.22528	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	343.2265
Annotation	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
66.45296	2.3
67.05491	4.1
69.07086	4.1
79.05489	4.1
81.03405	16.3
81.07060	14.7
91.05479	10.9
93.07044	37.2
95.04964	14.5
95.08589	14.8
104.92068	2.6
105.07017	17.8
107.08598	65.7
109.10142	16.6
109.81535	2.3
111.08047	2.6
119.08561	43.9
121.10159	11.4
121.46500	2.7
133.06512	4.7
133.10114	33.5
135.07040	4.2
135.08026	43.8
135.11702	4.5
143.08563	11.5
145.10144	18.3
147.08070	5.2
147.11668	14.3
149.09637	4.3
149.13203	5.2
149.54965	2.6
157.10114	13.2
159.11711	6.3
161.09595	30.3
161.13272	5.4
163.11142	3.1
171.11659	5.8
173.09630	3.5
173.13248	4.8
175.11246	3.9
175.14671	3.0
178.02412	2.8
181.10214	2.6
183.11633	3.5
185.13304	3.5
195.11694	3.6
199.14777	5.5
201.12721	3.2
209.13329	5.8
211.14778	3.6
223.14824	4.0
227.14360	12.4
237.16174	2.7
241.15898	11.9
255.21150	11.5
265.19464	6.1
283.20535	100.0
294.46167	2.6
301.21570	6.6
339.51126	2.8
343.22717	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Longithorol D
Peak:m/z	Relative Intensity
51.26166	2.1
55.05523	2.7
55.41333	2.1
65.20285	2.0
67.05498	4.3
68.82020	2.2
69.07065	6.0
73.69756	2.2
77.96571	2.2
79.05488	2.7
81.07043	11.3
83.04981	9.5
83.08615	3.9
93.07016	4.2
95.08608	16.2
97.06528	15.1
105.07045	17.7
107.08588	34.0
109.06534	5.7
109.10165	17.1
119.08580	24.0
121.06469	3.4
121.10145	15.2
123.08099	9.3
125.09718	2.7
130.32791	2.2
131.08586	4.2
133.10126	20.4
135.08044	4.1
135.11693	2.8
137.06911	2.6
137.09627	16.6
143.08546	19.3
144.99599	2.4
145.10120	20.5
147.11679	17.5
149.09645	15.6
157.10127	22.1
159.08060	3.0
159.11685	10.0
161.09547	4.7
161.13184	4.4
169.10101	2.9
171.11716	11.0
173.13229	6.0
175.11148	10.6
175.14838	4.1
177.12794	12.3
183.11659	3.0
185.13258	45.0
189.12715	5.3
197.13240	3.7
199.14838	3.7
203.14253	3.5
205.08904	2.6
209.13193	4.0
211.14807	9.4
215.14325	2.8
227.14383	4.6
241.15768	4.6
265.19586	3.7
283.20496	42.1
301.21564	18.6
343.22665	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	343.2268
Annotation	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
52.79166	2.9
67.05494	12.7
69.03414	5.0
69.07069	7.8
71.55263	3.7
79.05482	15.3
81.03424	39.6
81.07052	22.7
89.96276	3.5
90.35329	3.2
91.05477	16.9
93.07047	49.1
95.04971	41.2
95.08614	27.1
105.07016	28.2
107.08591	87.3
109.06519	12.3
109.10159	25.8
111.08134	3.0
117.07005	4.6
119.00112	3.3
119.08576	49.1
121.10146	25.1
123.11682	4.5
131.08580	6.5
133.06461	4.5
133.10133	56.1
135.08046	85.1
135.11708	14.2
143.08562	6.3
145.06502	4.3
145.10115	29.1
147.11707	19.8
149.13240	3.9
155.08524	5.1
157.10130	21.4
159.11710	17.8
161.09601	55.5
161.13252	4.3
163.11185	5.9
169.10172	4.5
171.11653	15.5
173.13286	8.3
183.11584	6.4
185.13272	7.9
187.14856	5.2
189.12766	6.5
197.13254	5.1
199.11169	4.5
203.14230	3.3
209.13306	5.3
211.14725	4.3
223.14761	5.1
227.14278	23.5
241.15932	14.6
253.19553	3.5
255.21043	17.4
265.19476	8.1
283.20520	100.0
301.21436	14.1
343.22601	44.9
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
53.98293	3.2
55.05508	14.0
57.07084	4.6
57.35945	2.9
60.04526	71.1
63.29441	3.4
65.56776	2.9
67.05507	27.2
69.03428	16.4
69.07058	20.2
79.05485	18.5
81.03429	43.5
81.07065	33.3
83.08600	23.9
91.05482	23.3
93.07035	72.2
95.04955	29.1
95.08585	42.7
95.50180	3.4
105.07031	38.3
107.08600	85.6
109.06569	6.1
109.10161	29.3
117.07023	3.5
119.08597	36.8
121.06493	4.0
121.10112	28.0
123.04443	3.3
123.11684	5.0
131.08592	14.2
133.06441	13.5
133.10127	55.1
135.08037	93.5
135.11661	7.5
143.08588	15.9
145.06360	4.5
145.10092	23.2
147.11702	12.9
149.13229	6.8
157.10136	17.2
159.07971	3.2
159.11719	14.2
161.09604	72.3
163.11163	6.8
169.10117	4.2
171.11742	8.1
173.13234	6.4
175.11214	5.7
179.08348	3.3
181.10037	3.8
183.11743	5.6
185.13252	6.9
197.13286	5.1
199.14731	5.9
201.12741	5.1
209.13333	4.8
213.12772	4.6
227.14201	5.8
241.15874	14.6
254.28453	18.7
255.21109	5.0
265.19537	15.0
283.20569	94.6
284.29443	54.2
301.21680	4.1
302.30499	100.0
321.20834	4.4
343.22488	36.1
343.26230	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
60.56701	2.6
61.40416	2.5
64.23193	2.4
67.05495	6.1
69.03390	2.8
69.07041	4.1
70.13824	3.0
72.48017	2.9
79.05509	3.7
81.03417	16.7
81.07050	17.5
91.05457	10.5
93.07034	29.2
95.04951	12.3
95.08596	21.4
105.07038	22.8
107.08583	65.2
109.06514	5.0
109.10132	19.3
110.39122	3.1
111.08081	3.1
119.05035	2.8
119.08566	49.2
121.06462	3.3
121.10134	27.5
130.55424	3.0
131.08530	10.7
133.06453	4.5
133.10110	35.8
135.08032	42.3
135.11678	5.2
137.09616	5.3
143.08530	5.4
145.10114	16.5
147.11674	18.0
149.13197	3.3
157.10124	20.4
159.08029	3.9
159.11728	13.5
161.09634	25.6
170.10947	2.9
171.11658	16.0
173.13268	5.2
175.11137	4.8
177.12755	5.3
183.11708	3.6
185.13258	16.6
187.11220	4.7
187.14883	3.3
189.12706	6.0
195.11757	3.1
199.11197	4.7
199.14787	4.1
201.12778	5.1
209.13242	13.8
213.12665	3.3
223.14891	5.9
225.16527	3.4
227.14272	11.9
240.14983	3.9
241.15846	6.5
253.15665	3.8
255.20932	3.3
265.19516	11.5
283.20538	100.0
291.57959	3.0
301.21564	11.9
325.21628	3.4
337.92279	3.0
343.22610	70.9
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	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
50.82367	3.7
51.90839	3.8
55.05520	4.6
57.07083	5.0
58.19660	4.3
65.75529	4.3
67.05511	20.5
69.07042	5.6
79.05495	7.9
81.07056	30.8
81.91177	4.5
83.08610	7.1
91.05479	25.0
93.07056	54.3
95.04969	11.6
95.08605	49.8
105.07040	35.1
105.07653	4.7
107.08575	38.8
109.10183	50.1
117.07016	7.2
117.53679	6.5
119.08577	71.5
121.06531	5.7
121.10116	41.7
123.11652	5.5
131.08577	28.9
133.06528	18.1
133.10092	35.2
135.08083	7.9
135.11703	7.4
137.06056	7.7
137.14548	4.7
143.08524	11.6
144.09343	4.9
145.06529	8.3
145.10107	38.7
147.08067	49.5
147.11652	10.5
155.08607	10.9
156.09315	5.2
157.10129	33.3
159.08052	8.2
159.11723	41.0
161.09679	7.6
161.13286	8.8
163.11217	6.5
167.08575	6.0
169.10133	42.8
171.11674	40.7
173.13380	6.3
175.11206	8.7
179.08376	4.7
180.09325	7.3
181.10173	29.1
183.11707	33.8
185.09682	6.9
185.13206	33.9
193.10027	6.0
195.11679	38.7
197.13240	23.8
198.14182	6.2
199.11185	8.9
199.14806	11.2
207.11647	6.0
209.13211	40.7
211.14830	21.0
222.13948	6.1
223.14816	42.6
225.16315	10.7
227.14284	6.1
237.16359	11.8
239.17888	6.6
241.15833	10.2
241.19453	9.7
255.17448	27.4
255.21078	7.7
257.19205	7.1
265.19485	75.6
269.15341	5.8
283.17358	10.4
283.20532	84.3
301.18335	5.5
301.21536	10.0
325.14343	19.7
325.17899	6.9
325.21506	17.0
343.15332	18.1
343.18951	55.8
343.22742	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.39126	5.1
55.05502	6.6
57.07069	7.1
66.20934	5.8
67.05490	11.0
69.03419	6.7
69.07072	8.9
75.10894	5.3
79.05463	11.5
81.03421	29.7
81.07053	22.8
83.98003	5.6
91.05479	11.8
93.07028	59.0
95.04954	37.7
95.08586	38.1
105.07030	15.2
107.08591	79.8
109.06519	7.3
109.10139	13.8
113.73663	6.6
119.08582	48.3
121.06464	14.8
121.10159	14.6
123.08056	7.1
128.85809	6.3
131.08583	14.3
133.10141	57.0
135.08054	70.2
145.10115	50.6
147.07977	8.5
147.11623	9.0
149.13274	7.2
157.10124	24.3
159.11688	8.6
161.09604	53.4
169.10236	7.2
171.11633	12.9
173.13200	7.4
183.11671	8.6
185.13271	10.9
197.13358	12.6
199.14688	13.7
204.01294	5.8
206.62914	7.9
209.13284	11.3
213.12512	6.6
223.14888	9.5
227.09062	10.5
227.14227	25.3
241.12262	6.8
241.15800	6.9
253.16031	9.4
255.17444	6.4
255.20930	7.3
265.19540	11.3
283.20520	100.0
301.21622	8.8
328.12967	11.9
343.15527	62.8
343.18878	11.6
343.22443	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
57.07076	3.8
63.33623	3.4
67.05504	7.9
69.03429	7.7
69.07057	5.3
75.88651	3.1
77.22694	3.5
79.05503	16.9
81.03420	54.3
81.07047	20.0
91.05524	12.1
93.07043	72.2
95.04948	27.9
95.08594	25.5
105.07024	34.9
107.08586	83.0
109.06505	8.4
109.10156	23.5
117.07021	8.2
119.08549	45.2
121.10130	29.8
131.08597	8.6
133.06482	4.2
133.10107	57.5
135.08055	89.6
135.11707	6.8
143.08537	5.1
145.06425	4.5
145.10144	28.8
147.11665	16.6
149.09674	4.5
149.13263	5.8
157.10118	18.6
159.11707	8.2
161.09586	72.8
163.11136	5.8
171.11705	14.7
173.13243	7.6
177.12665	3.9
189.12753	4.6
199.14864	14.9
201.12703	4.9
213.12685	4.7
227.14301	7.6
241.15884	9.3
255.20923	7.1
265.19675	8.2
283.20535	100.0
301.21750	5.7
343.22638	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.72416	2.7
55.71767	2.8
57.07070	3.7
59.25467	2.9
61.17601	2.9
63.26429	3.9
65.06904	3.5
65.99078	3.1
67.05524	5.1
69.03441	4.4
69.07067	4.8
73.45459	3.3
79.05494	6.8
81.03419	33.0
81.07056	16.9
83.08593	6.4
89.28851	3.2
91.05477	5.5
93.07037	38.6
95.04955	18.8
95.08604	22.6
103.62684	3.1
105.07023	19.0
107.04934	4.1
107.08595	71.2
109.06500	3.7
109.10139	18.1
111.96686	3.6
117.07005	6.5
119.08578	44.4
121.06441	4.0
121.10116	36.7
131.08603	4.0
133.06509	4.9
133.10114	42.3
135.08063	54.7
135.11722	4.2
143.08568	14.4
145.10126	28.0
147.11719	12.3
149.13251	4.3
157.10143	18.8
159.11655	14.5
161.09563	48.1
161.13332	7.2
163.11172	5.0
169.10155	5.8
171.11697	12.8
173.09534	4.3
173.13158	4.3
181.10208	4.6
183.11705	5.9
185.13275	6.5
187.14835	3.4
199.11130	4.2
199.14915	7.1
209.13182	6.4
227.14252	17.0
236.55505	4.0
240.15184	4.4
241.15921	13.2
245.47961	3.4
255.21066	14.9
265.19550	6.7
283.20551	100.0
301.21536	5.1
343.22556	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
57.07042	2.4
66.62138	2.7
67.05515	10.2
69.03412	2.9
69.07071	3.9
79.05455	5.3
81.03410	19.5
81.07064	16.4
91.05459	13.7
93.07035	40.6
95.04950	16.3
95.08585	22.0
105.07024	20.8
107.08591	73.0
109.06513	5.8
109.10142	14.9
119.08575	47.2
121.10141	28.0
122.90508	3.3
128.60190	3.2
131.08546	4.7
133.10141	44.2
135.08052	62.2
135.11676	12.3
143.08565	13.0
145.06607	2.9
145.10088	28.2
147.08058	4.5
147.11662	10.6
157.10130	15.0
159.11694	11.5
161.09579	42.3
161.13165	3.2
171.11708	12.0
173.09628	3.7
173.13255	6.9
175.11189	3.9
176.76671	3.4
177.12772	4.9
181.10263	3.6
183.11674	4.7
185.13306	5.9
199.11182	4.3
199.14786	7.1
201.12758	7.0
209.13231	6.4
211.14740	4.3
212.99776	2.7
213.16345	3.2
225.16472	4.4
227.14323	15.0
241.15831	11.6
253.15752	4.4
255.21126	11.3
265.19431	6.1
283.20554	100.0
301.21661	11.9
325.21393	3.7
343.22650	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	343.2268
Annotation	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
51.79055	3.0
54.65673	3.2
66.04346	3.1
67.05492	13.4
67.72575	3.2
69.07059	5.5
73.08695	2.8
73.68307	2.6
79.05494	12.1
81.03426	27.2
81.07046	7.5
91.05474	19.9
93.07055	41.8
95.04960	18.1
95.08595	22.9
105.07030	26.2
107.08601	77.2
109.06494	5.4
109.10158	17.1
111.08014	3.1
117.07027	5.3
119.08569	61.5
121.06499	3.9
121.10121	28.3
123.11715	5.8
131.08537	5.9
133.06549	3.6
133.10129	55.7
135.08084	51.7
135.11693	7.0
143.08582	14.9
145.06548	4.3
145.10120	42.7
145.59232	3.6
147.11682	19.6
149.13237	4.6
157.10117	21.0
159.08014	4.6
159.11682	16.0
161.09622	36.6
161.13234	5.6
163.11177	13.6
171.11681	18.2
175.11162	4.6
175.14812	4.5
185.09653	3.3
185.13237	7.5
197.13336	5.5
199.14908	5.8
201.12715	4.8
209.13255	4.8
211.14867	4.9
223.14842	6.5
227.14310	15.7
237.16200	3.2
241.15875	7.7
253.15909	4.4
254.16576	3.1
255.21062	6.2
265.19391	14.2
283.20596	100.0
301.21518	5.8
343.22641	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.88322	6.9
60.34295	6.9
67.05489	12.2
70.40414	7.7
81.03402	46.9
81.07061	31.3
81.63559	8.4
91.05453	9.8
92.18498	18.7
93.07037	65.2
95.04935	12.2
95.08605	41.1
99.93588	8.0
103.81918	8.2
105.07020	39.0
107.08625	80.2
109.10174	16.9
117.06992	11.9
119.08557	63.4
120.61377	8.6
121.10111	37.7
133.10118	56.6
135.08035	94.2
135.11725	9.4
137.24695	10.6
143.08569	15.3
145.10106	20.4
147.11681	31.2
157.10130	13.9
159.11711	11.7
161.09599	63.1
171.11755	14.1
185.13297	8.8
199.14838	13.4
216.42091	8.4
241.15997	8.5
255.20979	12.7
265.19504	10.5
283.20477	100.0
301.21451	10.0
343.22388	62.5
343.31851	18.6
350.50552	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	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29287	6.6
57.18440	6.2
65.99681	6.6
69.03402	9.2
69.07066	8.9
79.05467	13.2
81.03405	37.6
81.07076	17.2
91.05485	9.6
92.18520	14.2
93.07038	51.3
95.04955	28.8
95.08630	38.1
97.18679	6.8
105.07024	15.4
107.08591	72.0
109.10143	15.3
119.08538	58.0
121.10139	33.5
133.06480	9.8
133.10123	50.0
135.08054	81.9
143.08553	14.5
145.10132	16.2
147.11636	13.8
157.10144	11.5
159.11795	9.6
161.09596	47.5
163.11253	11.7
169.10089	7.7
173.13216	8.4
199.14867	8.8
222.81468	6.7
227.14307	14.3
255.21280	9.8
265.19431	10.2
283.20551	100.0
301.21753	12.5
343.15427	26.6
343.22638	85.6
346.52567	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	343.2267
Annotation	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
53.25705	2.0
55.05509	5.7
57.07054	2.1
67.05513	3.0
69.07066	4.9
69.10801	2.2
79.05498	9.8
79.16901	2.3
79.43615	2.4
81.03428	22.0
81.07069	20.1
83.08625	5.7
91.05469	21.9
93.07039	41.1
95.04965	24.6
95.08596	26.5
95.09113	2.7
99.04058	2.8
105.07017	27.0
107.08601	60.6
109.06524	3.9
109.10151	17.5
111.08059	4.3
117.07010	6.2
119.08595	40.4
121.06471	12.4
121.10146	22.1
123.11648	4.1
131.08574	13.6
133.06487	4.8
133.10117	40.2
135.08057	49.3
135.11649	12.5
137.09593	3.0
143.08582	13.2
145.06490	4.0
145.10089	27.2
147.08032	11.9
147.11655	15.5
149.13246	5.3
152.91173	3.0
155.08589	4.4
156.09331	2.9
157.10088	18.3
159.11691	15.3
161.09595	38.4
163.11192	9.0
169.10092	10.3
171.11685	19.4
173.09538	3.8
173.13145	8.8
175.11142	4.2
175.14876	3.1
181.10124	14.6
183.11658	11.7
185.09587	6.0
185.13295	4.7
194.10925	4.4
195.11690	11.6
197.13240	4.5
199.11143	4.6
199.14827	10.3
201.12692	4.5
205.12045	3.2
208.12448	4.5
209.04446	2.9
209.13254	5.9
211.14751	3.5
213.12756	3.8
223.14830	17.2
225.16495	2.7
227.14311	4.1
237.16504	4.0
240.15062	3.6
241.15881	11.6
253.15752	2.9
255.21150	5.6
265.19513	11.5
283.17368	6.5
283.20517	100.0
292.10403	2.5
301.21661	12.5
329.30475	2.7
343.18982	6.5
343.22617	38.1
349.51303	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.19929	1.7
53.54519	2.3
57.71998	2.0
67.05501	5.0
69.03423	4.0
69.07065	3.8
79.05511	3.8
81.03419	19.9
81.07076	15.7
84.82619	2.3
91.05474	14.7
93.07041	38.2
95.04971	14.3
95.08615	22.9
105.07025	24.0
107.04958	1.9
107.08592	65.5
108.01543	2.0
109.10158	19.6
111.08062	4.3
113.67617	2.0
114.10167	2.1
117.07001	4.9
119.08583	43.6
121.06458	2.8
121.10137	21.9
122.34072	2.4
123.11742	2.5
130.98212	1.9
131.08556	3.6
132.43990	2.4
133.06502	7.8
133.10117	42.5
135.08055	58.4
135.11673	4.6
137.09688	2.2
143.08575	13.2
144.05086	2.2
145.06480	3.9
145.10124	22.4
147.08061	4.1
147.11713	10.8
149.09642	2.5
149.13242	3.1
157.10114	13.1
159.11687	11.5
161.09633	32.1
161.13214	2.8
163.11185	10.3
169.10194	3.7
171.11667	12.8
173.09616	3.6
173.13206	4.6
175.11169	3.9
181.10179	2.6
183.11588	4.8
185.13286	8.7
187.11130	3.3
189.12761	2.8
195.11731	3.0
199.14774	5.5
201.12785	4.2
209.13335	2.3
225.16478	2.8
227.14311	17.0
240.15158	3.0
241.15970	9.4
255.21156	10.5
265.19528	12.6
283.20541	100.0
301.21622	5.4
332.98154	2.2
343.22620	44.3
367.09424	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	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.7
67.05518	8.8
67.40275	1.7
69.07063	2.9
71.05048	1.8
72.24333	1.8
79.05490	9.9
81.07063	10.3
81.88665	2.1
83.08636	2.3
91.05478	16.9
93.07040	23.1
95.04984	4.0
95.08604	10.2
105.07035	30.9
107.08590	14.6
109.06528	8.7
109.10149	11.9
117.07037	21.6
117.59555	2.0
119.08581	32.3
121.06471	2.6
121.10139	17.0
130.07777	10.5
131.08575	10.6
132.72119	1.9
133.10127	100.0
135.11711	2.5
137.09596	2.8
142.07758	3.0
143.08548	8.5
145.10126	85.2
147.11674	9.2
149.09505	3.0
155.08554	2.8
156.09335	4.5
157.10138	22.8
159.07983	2.4
159.11708	13.2
161.09648	2.0
163.11177	10.8
167.08484	3.7
169.10115	11.9
170.53014	2.4
171.11623	17.1
179.08517	3.3
180.09337	2.8
181.10150	8.7
182.11034	2.2
183.11656	11.2
185.13315	7.4
193.10194	8.6
194.10925	9.7
195.11713	11.3
197.13266	10.2
207.11699	3.6
208.12552	9.4
209.13205	24.2
211.11305	2.9
222.10274	2.5
223.14784	17.5
227.10841	2.1
227.14386	4.5
231.16066	2.0
235.14838	4.1
237.12836	2.2
237.16312	3.5
251.14369	3.0
255.10135	3.0
265.19565	23.2
281.15298	3.1
283.20502	4.6
287.09152	4.2
297.15005	7.7
299.16101	2.2
307.13193	2.9
325.14413	15.0
343.15506	35.5
343.19138	8.9
343.22641	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	343.2268
Annotation	Longithorol D
Peak:m/z	Relative Intensity
50.60568	1.0
52.94880	0.9
54.04763	1.1
55.05505	0.9
61.35720	1.0
67.05499	1.7
68.75213	1.0
69.07031	1.2
79.05486	2.0
81.03402	2.5
81.07043	4.4
85.86895	1.2
91.05478	2.1
93.07029	5.8
95.04980	1.5
95.08602	7.0
103.05456	1.2
105.07012	7.5
107.04959	1.4
107.08592	14.6
109.06490	1.9
109.10145	2.2
117.06934	1.5
119.04873	1.7
119.08558	16.8
121.06506	4.0
121.10146	9.8
122.09564	1.4
123.04319	1.1
123.07994	4.2
125.09621	1.4
131.04907	4.8
131.08563	7.7
133.06487	10.2
133.10136	12.7
135.08043	2.7
135.11652	2.0
137.05951	4.8
141.07047	1.1
141.45959	1.2
143.08612	3.7
145.06458	6.9
145.10083	9.6
147.04370	1.8
147.08031	15.1
147.11690	8.0
148.04709	1.1
149.09598	21.6
151.07550	1.3
157.10092	12.7
159.08038	17.6
159.11659	5.5
161.05942	6.0
161.09583	40.6
163.07549	2.4
163.11177	5.5
169.10098	1.3
171.11702	1.7
173.09647	1.7
173.13196	1.6
175.07507	7.5
175.09692	2.1
175.11151	37.4
177.12735	1.8
181.12248	1.9
183.11621	5.9
187.11159	1.2
201.12730	46.7
209.13213	1.3
219.10136	2.3
233.09576	1.4
237.91510	1.2
265.08530	6.0
265.11948	1.2
267.17551	1.1
281.18878	4.8
297.11194	5.7
299.12827	2.7
307.20535	7.2
311.12711	11.0
325.21494	13.3
339.52405	1.2
343.16870	9.8
343.22635	100.0
357.58734	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	343.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.5
57.03440	53.5
61.02942	13.4
67.05515	23.5
69.07060	11.8
71.04988	4.7
79.05507	4.7
81.07061	33.2
83.08633	14.6
92.18525	3.8
93.07037	9.1
95.08595	39.3
97.10165	4.1
107.08596	10.9
109.10155	36.9
117.05488	78.2
120.50999	1.9
121.10124	8.6
123.11681	3.6
125.72414	2.1
135.11703	14.1
149.13261	8.3
168.59050	1.9
191.17923	3.5
227.20049	100.0
227.32961	2.4
343.20920	2.8
343.24786	23.2
350.58643	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	344.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	1.4
70.06576	1.5
77.58773	0.6
78.50107	0.7
81.74889	0.7
105.74384	0.7
116.07079	1.6
151.03897	1.2
164.01640	100.0
182.02704	57.9
201.12283	0.7
220.10785	0.8
241.83684	0.8
274.95099	0.7
277.10297	0.7
344.08002	29.6
344.24460	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	344.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02851	0.5
54.84385	0.5
57.96619	0.6
62.99850	0.6
66.20358	0.6
71.88764	0.7
83.07854	0.6
85.02904	2.3
91.05483	0.8
92.18568	0.6
112.02172	1.3
127.03958	0.7
136.07562	3.7
145.30115	0.6
151.03139	0.9
153.06560	3.7
165.05426	2.1
165.06570	4.8
182.08086	3.3
197.03778	18.0
212.00436	0.8
215.04936	1.0
225.06894	12.5
241.06349	7.7
248.09508	0.7
269.05890	20.1
280.07462	9.4
298.08450	4.4
303.09195	2.9
314.39590	0.6
326.08035	37.1
344.09073	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.7
69.03421	1.5
70.45013	0.6
81.29948	0.6
85.02902	14.2
85.83279	0.7
91.05505	0.8
94.89029	0.7
97.02869	3.3
118.55255	0.7
119.04961	5.1
123.04414	1.2
127.03894	2.7
145.04993	3.1
147.04401	100.0
165.05461	46.1
180.08652	1.4
344.13513	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72076	1.2
57.03429	1.8
63.35218	1.4
66.48291	1.3
69.03416	8.5
81.03392	1.7
84.04520	3.1
84.08116	2.0
85.02898	13.5
91.05477	69.1
95.04898	1.6
96.04493	3.7
97.02889	27.4
97.61183	1.4
98.06076	2.2
100.03991	2.5
103.05436	3.5
107.04895	1.7
109.02879	2.1
115.03909	2.6
119.04929	22.9
122.06028	19.3
123.04401	2.7
126.01514	1.7
126.05575	1.9
127.03907	10.7
129.05449	1.9
129.64069	1.5
130.04950	1.5
132.08144	1.5
136.07585	20.8
138.05487	1.5
144.06552	19.0
145.04958	2.6
147.04420	2.9
150.05502	18.2
161.06886	2.0
162.07596	14.5
162.08807	1.5
163.03929	2.2
164.04272	1.9
164.05653	3.0
164.06984	2.4
164.10814	2.4
165.05446	7.3
165.06598	2.0
165.07709	2.1
182.06668	3.7
182.08092	23.8
197.03745	15.9
201.76878	1.5
206.08070	2.8
225.06848	11.6
241.06483	5.6
250.10695	3.7
254.11250	1.4
261.83069	1.4
269.05862	19.0
280.07538	3.6
280.11975	1.9
298.08542	3.0
308.11298	11.9
326.08063	30.3
326.12344	78.1
329.54874	1.9
344.09094	100.0
344.13336	22.5
355.89172	2.0
355.93689	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72905	0.7
57.03445	0.8
60.04526	1.6
61.02933	2.9
69.03443	6.1
71.39103	0.7
73.02917	1.0
81.03425	1.8
85.02902	21.7
87.04487	1.2
90.73483	0.7
91.03957	1.7
91.05472	10.7
96.04465	0.8
97.02882	9.6
98.85715	0.7
99.04433	1.0
109.02898	1.2
115.03921	0.9
119.04929	23.9
121.06504	0.8
123.04443	3.9
127.03908	6.2
132.08122	5.0
136.07568	100.0
138.05351	3.1
144.06580	3.1
145.04987	3.8
147.04451	3.6
162.07710	0.9
164.07080	4.7
165.05428	11.0
165.07623	0.9
178.08687	4.8
182.08112	93.3
197.49626	0.7
204.34526	0.7
224.09274	3.2
250.10741	0.9
308.11273	0.9
326.08563	1.4
326.12451	7.8
344.09213	8.1
344.13477	18.4
344.17188	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	344.1494
Annotation	Sarcocapnidine N-oxide
Peak:m/z	Relative Intensity
59.80516	0.6
60.04520	0.8
70.06583	1.4
70.45927	0.6
105.07001	0.9
107.04285	0.9
107.04958	19.0
121.06477	1.3
135.08005	0.9
136.07520	0.9
137.05957	3.4
138.06361	0.8
146.00446	0.7
149.05954	12.0
151.03853	0.7
161.06023	1.4
163.07513	7.7
167.07039	0.8
173.05994	4.6
178.93549	0.7
179.07031	2.9
187.07372	0.8
190.08649	15.5
191.07031	69.8
203.07022	3.2
208.09691	100.0
221.08105	0.9
229.75374	0.7
298.11536	1.6
309.11169	3.4
326.13983	3.7
327.12375	0.9
333.71295	0.9
344.14923	52.9
344.24078	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	344.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85989	0.9
54.86635	1.1
57.03435	1.0
57.93010	1.0
60.04516	1.8
66.98686	1.0
67.74519	1.0
69.03401	1.0
85.02908	17.4
90.45186	1.0
91.03982	1.1
97.02901	4.6
107.04951	100.0
111.75751	1.0
127.03893	1.5
127.12244	1.3
137.06023	1.9
145.05005	1.5
149.05969	4.4
165.09103	24.1
180.08696	4.3
182.11667	1.3
190.08682	1.5
191.07028	7.7
208.09741	4.4
239.03802	1.4
344.14746	5.7
344.17572	1.7
344.24274	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	345.1313
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
76.37283	1.8
80.33121	1.9
83.04964	3.9
85.02888	2.3
92.18450	3.6
95.04965	2.4
95.52245	2.2
105.07023	2.4
107.04937	2.4
121.06503	4.4
123.04403	3.4
132.04442	21.7
133.06480	3.2
133.10133	12.7
134.05989	7.6
137.05962	21.0
149.05972	4.9
153.05453	3.9
161.09573	18.9
163.07532	3.4
163.36522	1.9
177.09064	2.4
179.10588	3.5
194.06767	2.4
205.61856	2.3
258.89603	2.0
259.11847	19.7
268.06006	3.9
269.33801	2.2
284.11472	11.8
288.67575	2.5
299.05316	2.3
301.11423	2.8
302.12457	22.2
309.08694	4.7
327.09344	3.9
327.12451	4.5
327.15564	3.2
345.13443	100.0
345.17050	19.0
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	5,7-Dihydroxy-6,8-dimethyl-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
52.00469	7.0
66.72726	6.5
74.17187	7.5
74.80226	6.8
79.05486	11.5
91.05453	13.6
107.05017	10.0
121.06493	35.9
125.05974	34.3
137.05965	100.0
147.08067	16.4
149.06029	26.9
150.06798	28.5
151.07520	8.2
153.05467	47.8
161.05936	8.7
165.05475	11.2
181.04935	15.1
301.10767	39.6
327.12210	48.8
327.15753	8.3
345.06073	11.0
345.13150	27.2
345.17001	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1446
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
56.03651	1.2
57.01836	1.1
58.54946	1.3
72.08131	2.3
79.76482	1.2
81.03393	1.4
86.09715	5.1
88.60377	1.2
89.26221	1.1
91.05476	37.0
94.17991	1.2
103.05476	10.0
118.06538	100.0
119.04958	10.6
120.08103	65.6
123.04434	21.4
124.07571	2.4
133.06097	2.2
136.07578	60.0
137.05962	5.6
139.03886	1.6
142.17213	1.3
145.01793	1.6
147.04420	14.6
148.06227	1.5
164.07062	34.0
165.05452	61.2
165.06606	6.7
182.08125	92.4
183.07713	2.7
221.76773	1.5
255.50121	1.3
310.37366	1.3
345.11417	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1541
Annotation	Taxuside
Peak:m/z	Relative Intensity
54.20317	0.3
55.05504	2.1
55.21424	0.3
55.92922	0.4
57.41747	0.4
57.98124	0.4
59.90576	0.4
63.54625	0.5
74.90614	0.4
85.02907	2.0
95.04919	0.6
107.04942	1.7
109.10120	0.6
119.08575	0.6
119.56353	0.5
123.04418	100.0
125.27043	0.5
131.04819	0.4
133.06525	1.4
137.05988	4.3
138.96121	0.5
147.04381	1.0
147.07965	1.6
149.05919	0.7
165.05537	0.5
165.09096	21.2
183.10245	1.6
187.07468	0.5
189.05501	0.9
189.09042	0.6
271.29034	0.4
343.86563	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	345.1696
Annotation	Orcadensin
Peak:m/z	Relative Intensity
57.68433	1.3
65.42744	1.4
69.03423	2.4
79.05490	1.5
81.07057	5.7
81.24516	1.5
91.05501	3.0
93.07034	11.1
95.04960	2.2
95.08603	2.1
105.07009	10.4
107.08607	3.2
109.06516	2.5
119.08502	4.8
121.06515	12.6
121.10114	6.0
123.04425	1.5
123.08044	2.4
129.07047	1.8
131.08548	3.7
133.06494	3.4
133.10120	9.8
135.08043	3.6
135.98949	1.5
137.09563	1.8
143.08510	3.4
145.10043	2.7
147.08046	6.7
149.05960	3.3
149.09621	6.4
155.08620	1.8
157.10146	3.7
159.08052	10.2
159.11627	2.6
161.06000	1.9
161.09554	5.7
169.10060	3.3
171.08116	2.6
171.11618	2.0
173.09627	2.1
180.09360	3.1
181.10216	1.8
183.11652	3.2
185.13142	2.3
187.07506	2.3
187.11227	6.0
193.10139	6.9
195.11681	6.3
197.09709	2.0
199.11264	2.8
206.10829	2.0
209.09642	5.8
209.13263	2.3
211.11224	6.0
213.12744	3.7
220.12407	5.3
223.11086	2.2
223.14796	1.9
225.12766	2.2
227.10725	2.8
235.14827	6.3
237.12692	1.9
237.16353	2.1
241.12238	2.1
243.10083	1.8
253.15785	2.3
259.13385	2.0
263.14374	2.1
281.15378	6.3
287.12860	3.5
299.16299	10.7
303.16074	2.0
326.37326	1.8
327.15973	7.3
345.16953	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	345.1696
Annotation	Sculponeatin J
Peak:m/z	Relative Intensity
58.17328	2.1
59.05002	2.1
67.05484	3.1
70.94601	2.3
73.97263	1.9
79.05479	4.1
81.07046	3.5
81.25213	2.0
82.11465	1.9
83.04988	2.7
85.02911	2.8
91.05477	3.8
93.07032	11.2
95.08592	4.9
105.07047	12.7
105.56641	2.3
107.08598	9.1
107.50296	2.0
109.06522	4.3
110.05339	2.2
119.08539	5.2
121.06487	14.9
121.10174	8.7
123.08084	4.2
131.08549	3.4
133.06487	3.8
133.10121	12.1
135.08066	12.6
137.09634	2.7
143.08568	4.7
145.06525	2.6
145.10135	3.1
147.04387	2.5
147.08112	4.2
149.05966	4.1
149.09613	9.4
155.08510	5.3
157.10139	4.5
159.08052	11.4
161.06035	2.5
161.09703	2.7
163.07521	9.6
169.10091	4.4
171.08066	3.3
171.11679	8.8
177.09279	2.3
183.11708	13.5
185.09634	2.8
187.07607	3.1
187.11108	3.1
189.09171	3.9
192.71796	2.1
193.10220	4.5
195.11679	4.4
197.09625	3.0
197.13344	3.2
199.11240	3.3
207.11676	4.2
211.11221	9.0
211.14813	3.5
220.12607	5.2
223.11128	3.5
235.14807	11.6
241.12062	2.2
249.82890	2.7
253.15817	4.0
263.14230	3.7
285.15033	3.2
285.18506	10.8
299.16360	8.6
309.14767	5.1
327.15958	13.5
345.16968	100.0
345.20547	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	345.1693
Annotation	Anastreptin
Peak:m/z	Relative Intensity
55.01870	1.1
55.61205	0.8
67.05501	1.1
79.13792	1.1
82.73059	0.9
93.07030	2.1
95.04916	1.8
95.08580	1.6
105.07041	1.4
107.08582	1.1
111.04417	1.3
121.10109	1.3
123.04424	2.2
123.08027	4.3
133.10100	1.9
141.06923	1.7
147.08029	2.1
157.10101	1.8
159.08095	1.1
163.11148	4.1
169.10124	2.2
173.09573	1.5
181.10103	2.1
185.13304	1.2
186.10352	1.1
187.11203	6.7
188.11957	2.3
197.13268	1.9
199.11128	2.1
201.09148	1.3
203.10593	1.3
207.10056	1.8
207.11751	1.6
209.09547	1.2
211.11153	22.5
213.12714	9.7
215.10609	1.3
223.11140	2.0
225.12782	7.3
226.13489	62.3
227.10683	2.1
227.14316	1.4
228.11456	1.4
229.12286	1.9
239.14427	1.6
241.12117	11.2
242.13008	5.0
243.10117	1.7
243.13782	2.2
255.14009	1.3
256.14636	1.4
257.15320	4.2
259.13239	3.9
267.13779	5.0
270.12460	1.6
285.14828	48.9
317.17529	1.5
327.15997	2.3
345.16943	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	345.1695
Annotation	Anastreptin
Peak:m/z	Relative Intensity
52.47725	1.2
56.61748	1.1
58.82784	1.0
79.17435	1.3
88.49145	1.1
92.18571	1.2
97.68190	1.4
123.08050	1.8
155.08498	1.7
163.11111	5.2
167.08475	1.9
169.10100	2.3
173.09631	2.5
175.11252	1.5
181.10013	1.6
185.09639	2.1
187.11116	7.7
188.12004	2.8
190.37277	1.3
197.13281	2.6
199.11217	4.4
203.10655	4.7
207.11565	1.4
211.11171	30.1
213.12784	11.8
215.14290	1.6
219.64261	1.4
221.13191	1.9
225.12733	5.4
226.11328	2.5
226.13507	73.2
226.15729	2.5
227.10706	1.7
228.11386	2.6
239.14262	1.5
241.12279	14.3
242.13022	3.0
243.13910	1.7
257.15399	6.1
259.13129	1.8
267.13834	5.3
270.12546	2.0
285.14865	60.0
285.17908	2.0
345.16934	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	345.1698
Annotation	Sculponeatin J
Peak:m/z	Relative Intensity
79.05501	2.6
81.07012	2.4
82.21220	1.3
85.06567	1.6
91.05492	3.0
92.17902	2.5
93.07034	2.8
95.08662	2.2
103.05457	2.9
105.07024	6.0
107.04924	2.5
108.94629	1.5
109.06500	2.3
109.10175	1.7
111.04426	1.9
121.06514	7.2
121.10144	2.9
125.05995	2.7
125.09621	1.9
131.04924	12.0
131.08585	1.8
133.06511	16.1
135.08046	10.3
137.05980	100.0
137.38496	1.4
143.08492	2.9
145.06554	2.3
147.04396	3.0
147.08014	3.4
149.05998	3.1
151.03938	2.1
151.07547	7.0
155.07028	2.0
159.08044	2.5
159.11740	2.1
161.05997	6.8
162.06770	14.0
163.07541	30.7
165.05403	1.8
169.10132	1.7
173.09668	1.7
175.07529	3.3
175.11139	2.0
177.09109	9.7
183.06598	1.8
185.09561	2.9
189.09151	7.4
189.93242	1.6
197.13142	1.6
199.11176	3.5
201.12816	1.6
203.10675	3.8
211.11343	2.0
213.12698	2.4
219.30118	1.8
229.15964	2.6
239.17944	2.7
253.15739	3.3
267.17529	2.3
275.96042	1.9
281.18982	2.6
295.05923	1.8
295.13333	7.0
309.18414	13.0
327.12369	4.2
327.15915	7.9
327.19522	31.8
345.06113	3.0
345.13297	8.9
345.16779	7.0
345.20490	29.8
369.94147	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	345.1697
Annotation	Sculponeatin J
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	1.4
56.95871	0.9
65.91864	1.3
69.03422	1.8
77.98895	1.2
79.78452	1.0
81.07047	2.2
91.05477	4.7
93.07056	8.8
95.04961	5.5
95.08584	6.0
105.07029	8.8
107.08569	8.0
109.06509	4.5
111.04395	1.5
119.08550	7.2
121.06519	10.8
121.10125	11.0
123.08071	2.3
131.08546	4.8
133.06502	8.8
133.10121	9.8
134.72878	1.2
135.08049	5.0
137.05925	2.6
139.07574	1.7
143.08521	1.8
145.10182	3.0
147.08049	2.6
149.05963	7.3
149.09607	7.0
151.07498	1.3
157.06438	1.4
157.10106	2.8
159.08028	6.1
159.11726	1.8
161.09644	5.8
163.07484	2.8
167.06947	2.6
169.10091	4.9
173.09644	4.4
175.07529	2.0
183.11609	1.9
185.09637	1.7
187.11183	2.1
189.09036	1.5
191.10730	1.6
193.10144	1.4
195.11655	2.2
197.09697	1.9
199.11301	2.3
206.10828	1.5
211.11127	2.7
211.14807	1.5
213.12799	2.1
215.10788	2.0
215.14311	2.1
229.12103	1.6
233.11740	2.2
235.14873	1.4
239.10753	1.8
239.14233	3.0
253.15948	2.1
257.11734	2.1
259.09656	16.3
261.11234	7.2
263.14401	1.6
281.15302	7.1
283.13266	1.6
285.11411	2.1
285.14813	5.1
285.18289	1.9
299.16562	4.6
304.23599	1.6
309.14832	4.9
312.13437	1.9
327.15903	15.8
330.14554	1.6
345.16946	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	345.1698
Annotation	Anastreptin
Peak:m/z	Relative Intensity
60.42726	0.9
67.05519	0.9
81.07018	1.5
83.08595	1.2
85.44315	0.8
86.33701	0.9
91.05488	1.4
92.17970	1.0
93.07031	1.9
95.08590	3.6
109.10168	2.2
111.87512	0.8
119.05009	1.0
119.08583	1.5
121.10088	1.2
123.04428	2.1
123.08036	4.0
131.04907	0.9
137.05995	4.0
137.09605	3.6
143.08568	1.5
147.08014	2.0
149.05995	0.9
151.03879	1.9
152.25656	1.0
157.10178	1.0
159.03738	0.8
162.06747	1.0
163.11168	4.6
164.96935	0.9
165.09088	1.4
169.10115	1.7
171.11684	1.1
173.09584	3.7
175.07544	1.0
181.10065	1.3
183.11707	2.1
185.09633	1.4
187.07614	1.3
187.11137	5.6
188.11900	4.5
189.09032	1.1
193.10110	1.2
195.11742	1.4
197.09602	1.2
197.13249	1.3
199.11163	3.8
203.10686	2.0
207.11703	1.2
209.13222	1.2
211.11177	27.4
213.09167	1.4
213.12689	10.1
215.14323	1.5
221.13261	1.8
225.09183	1.1
225.12741	5.9
226.13515	52.6
227.10674	2.1
228.11516	4.2
229.12280	1.8
229.32283	1.0
239.14264	1.3
241.12183	14.3
242.13054	5.5
243.13857	1.4
249.12729	1.7
253.92693	1.0
257.15390	3.6
259.13315	5.2
261.57947	1.0
267.13742	2.2
270.12381	1.7
271.56940	0.9
285.11688	1.8
285.14853	49.0
327.09406	1.4
345.10358	2.5
345.13687	3.9
345.16949	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37659	1.1
54.40781	1.3
67.05508	1.5
81.03419	1.7
81.07014	2.3
85.02933	2.7
91.05459	2.1
103.05447	6.8
105.07030	2.2
109.06499	1.8
109.10143	12.2
119.08634	1.4
121.06480	2.2
131.04883	11.2
133.06496	14.8
135.08064	3.6
137.05972	100.0
137.09589	11.0
142.55452	1.6
145.06525	2.7
147.08073	2.1
151.07515	5.7
163.07544	30.7
165.09119	9.2
177.08914	1.7
179.06996	1.4
183.06706	1.3
201.11324	2.0
248.13838	1.6
279.35400	1.8
291.93356	1.3
295.13174	6.2
327.15686	3.6
344.97647	1.5
345.10477	2.6
345.18878	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.5
67.66651	1.3
70.23999	1.5
70.36974	1.3
81.07059	2.6
84.54930	1.3
91.05457	2.3
95.08617	5.1
103.05464	5.9
105.07018	2.4
108.31690	1.5
109.02882	2.3
109.06503	1.6
109.10161	12.1
119.08617	2.4
121.06564	1.6
123.04435	2.2
131.04938	11.6
133.06493	15.2
135.08044	6.1
137.05975	100.0
137.09584	12.1
145.06503	2.1
147.08026	1.9
151.03883	1.5
151.07518	2.8
163.07535	27.0
165.09061	8.9
172.47650	1.4
174.96939	1.3
175.07414	2.9
177.09109	1.7
181.23709	1.4
183.10173	2.6
259.24365	1.4
265.36124	1.7
295.13257	3.0
327.15674	6.7
345.18954	13.1
346.29547	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	345.206
Annotation	3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
Peak:m/z	Relative Intensity
55.05521	3.2
55.75193	2.6
61.16727	2.9
67.05499	5.6
69.07069	5.3
81.07047	7.2
91.05489	5.4
92.17934	4.8
93.07018	7.5
95.08582	16.2
97.06493	6.2
105.07017	13.9
107.08582	12.2
109.06514	11.1
109.10132	5.0
111.08086	5.9
119.08571	12.3
121.06478	23.4
121.10131	21.6
123.08051	6.4
123.11652	4.2
131.08554	15.8
133.10132	19.2
135.08054	20.9
135.11705	3.8
135.25932	3.3
137.05954	4.3
137.09630	12.5
145.06497	15.1
145.10121	6.4
147.08051	7.1
147.11671	12.3
149.09642	11.9
151.07489	3.8
152.14160	2.9
157.10097	13.9
159.08028	5.2
159.11725	3.8
161.06003	22.1
161.09612	13.9
163.07529	35.0
169.10126	13.0
171.11685	16.8
173.05902	5.2
173.09610	13.0
173.13290	5.2
175.11205	6.4
183.11702	17.4
185.13179	3.4
187.11183	4.3
187.14909	3.8
189.12900	4.8
191.10692	13.7
197.13228	15.2
197.47852	3.2
201.12706	13.1
211.11168	3.9
211.14748	5.6
213.16299	4.9
215.10741	3.1
215.14345	3.8
223.14871	5.8
225.12804	12.5
225.16270	4.1
227.14514	4.0
229.12239	12.8
239.17908	19.8
241.15872	7.0
243.17493	4.9
249.16331	5.4
257.18979	15.6
257.22757	5.0
259.16919	14.2
267.17499	24.6
285.18533	73.8
285.21747	5.3
288.44553	3.0
303.19528	17.7
345.20554	100.0
345.23907	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	345.2061
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
58.31849	1.3
66.78428	1.3
66.85354	1.4
69.07059	2.4
71.37712	1.2
95.08585	1.6
97.06514	8.2
99.08072	3.1
109.10181	14.5
109.10803	1.5
117.06972	1.4
137.09593	8.6
145.06471	9.6
151.03888	5.7
151.11162	11.4
173.09639	1.8
177.09079	13.9
179.10628	9.6
191.07037	5.4
193.08595	48.8
193.12282	2.3
200.87100	1.6
201.09148	1.9
211.11185	2.0
229.12202	2.1
231.03053	1.5
233.11650	5.5
243.13905	1.8
285.14923	2.2
303.15778	20.8
345.20587	100.0
366.23917	1.7
369.01807	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	345.2061
Annotation	Trigonochinene A
Peak:m/z	Relative Intensity
52.17833	2.5
55.01873	5.5
55.05523	44.1
57.03433	14.8
59.94093	2.5
67.05508	35.2
69.07063	5.9
79.05507	30.8
81.07070	22.9
83.08616	11.8
83.67580	2.9
91.05492	13.2
93.07037	13.7
95.04921	3.0
95.08596	5.8
97.10161	48.3
105.07021	4.6
107.08607	29.9
109.06484	3.5
109.10147	14.3
117.07018	67.2
119.08600	24.2
125.09634	34.5
129.06978	4.1
131.08545	7.4
133.10175	3.4
135.08037	15.3
141.23894	3.6
143.08540	16.9
145.06485	96.7
145.10146	12.5
151.52211	3.2
155.08572	6.0
157.10104	7.4
159.08067	4.1
169.10065	11.6
171.10254	4.6
183.11693	4.3
189.11217	18.1
243.17351	4.2
253.15977	5.2
271.16919	100.0
281.10596	12.7
289.17859	4.8
342.64505	3.4
345.12497	15.8
345.16812	17.5
345.20642	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03448	45.7
61.02934	10.9
67.05517	4.7
69.07065	3.8
75.04488	0.9
79.05512	0.8
81.07066	7.9
83.08647	2.5
88.15222	0.7
95.08601	12.5
97.10165	2.8
97.31602	0.6
104.94001	0.8
105.12582	0.7
109.10136	5.9
111.11710	0.9
117.05490	100.0
123.11731	1.2
129.38901	0.9
138.78836	0.9
163.10991	0.8
177.08952	0.7
193.19563	1.2
211.20612	1.5
225.99619	0.7
255.06598	0.9
256.07324	1.1
284.06854	9.0
299.05499	4.1
315.05035	4.5
327.25323	8.9
329.06558	3.0
345.09659	21.4
345.13348	1.0
345.16727	4.8
345.20816	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	346.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	100.0
56.37495	1.0
57.03422	1.4
58.06564	1.2
59.60316	1.0
65.58322	1.1
69.03423	1.9
69.18722	1.0
70.06618	1.2
73.02908	1.3
77.06310	1.1
82.61097	1.2
85.02892	2.2
98.97590	1.5
102.05518	1.2
105.91397	1.3
113.03484	6.6
116.07056	1.4
137.08337	5.4
143.00150	1.4
148.07547	9.6
162.03496	1.3
166.08612	30.0
168.07693	13.8
173.01187	1.5
184.09680	29.8
197.05563	34.5
203.02267	1.9
213.52193	1.2
214.08220	79.0
231.09779	1.5
251.04251	1.5
305.05402	6.0
308.22308	1.4
323.06235	4.4
346.12195	26.9
346.15179	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	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78508	2.2
55.01878	2.6
57.03416	2.5
58.67082	1.9
61.02922	9.1
69.03423	15.6
69.46124	2.1
69.71243	2.0
73.02908	2.1
81.03410	9.4
85.02901	100.0
91.03944	9.0
97.02885	34.6
99.04466	3.3
107.04950	65.9
108.40377	2.2
109.02869	11.5
127.03926	27.2
139.69258	2.2
145.04950	30.1
149.06006	17.4
151.84590	2.2
163.06023	4.2
166.08574	2.5
167.07030	12.2
180.08669	28.9
184.09650	10.6
200.46761	2.2
209.07686	2.2
215.06987	9.7
233.08145	11.1
257.08160	3.1
275.09067	4.0
293.10190	2.5
300.13184	3.4
346.14676	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88274	0.5
55.05514	2.8
61.02927	2.5
65.12513	0.6
69.03423	3.5
73.02918	0.8
81.03424	1.0
85.02907	23.8
86.09699	2.8
97.02861	4.7
97.62701	0.6
99.04414	1.1
107.04951	100.0
107.45419	0.8
109.02867	3.2
119.21796	0.6
127.03910	4.0
131.04878	0.8
145.04929	3.2
149.05991	0.9
149.09605	30.0
157.06453	0.7
173.05908	5.2
180.08641	1.1
187.14412	3.4
193.07689	0.7
195.30370	0.6
197.09666	0.8
212.71553	0.7
215.10657	3.0
215.13911	1.4
233.11737	1.3
275.12799	2.4
303.04922	3.2
346.06357	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	346.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.5
57.03445	1.5
60.04521	6.1
61.02928	1.8
69.03432	4.2
72.08155	1.3
73.02917	1.3
81.03405	1.8
85.02913	37.1
93.07043	1.1
97.02878	9.3
99.04416	1.6
107.04956	100.0
109.02871	2.3
116.72369	0.9
123.04452	7.7
124.04754	6.1
124.07594	6.1
127.03936	9.5
131.08574	5.0
145.04936	8.0
147.34947	0.9
149.06003	2.3
149.09618	37.6
163.06041	1.1
169.25714	1.0
173.05928	4.2
180.08687	4.6
202.49539	1.0
215.10626	2.3
233.08221	1.6
257.11844	1.4
275.12842	2.2
292.11993	1.1
293.13873	1.2
346.25894	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	346.1974
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
55.05515	1.6
55.09541	0.6
70.06585	0.8
72.08156	64.7
78.23163	0.7
84.08131	0.8
86.09705	100.0
86.25361	0.8
88.04001	1.0
107.04952	8.0
109.02863	1.6
111.18491	0.6
123.16359	0.7
131.08583	1.4
136.07559	3.6
137.07983	2.3
142.44238	0.6
149.06026	0.7
172.09673	2.8
184.09747	0.9
185.14755	1.0
185.16483	35.2
213.15970	41.4
218.72261	0.8
233.11314	3.8
241.09030	2.9
329.12265	1.3
346.13989	1.0
346.19693	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	346.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17468	1.4
54.78721	1.2
55.65096	1.2
57.53358	1.4
58.85237	1.5
62.52873	1.4
64.53672	1.3
69.07072	1.8
83.64449	1.4
97.06512	2.5
109.10135	9.3
110.10487	3.7
118.74346	1.4
137.09596	2.6
146.06847	2.5
151.03880	2.4
151.11156	6.3
152.07849	2.3
152.11456	2.2
177.09073	8.6
178.09439	6.3
179.10709	5.9
180.11032	6.1
193.08600	22.8
194.08955	22.6
202.09431	1.8
226.12912	1.9
234.11995	2.1
244.14075	2.7
286.14981	1.9
304.16254	21.0
346.20932	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	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47423	0.5
53.88021	0.5
54.94991	0.5
57.07087	6.1
60.09869	0.5
63.52077	0.5
69.01773	0.5
70.06602	10.4
71.08630	3.5
77.37457	0.5
85.10200	1.0
88.07626	24.9
95.08625	0.6
102.09186	14.5
135.62729	0.5
146.11761	0.8
150.11243	0.8
193.06982	0.7
240.26859	1.0
258.86050	0.6
284.29462	71.9
286.18832	1.1
328.32040	4.1
346.33145	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	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28962	0.7
57.07062	3.7
60.82436	0.8
64.21778	0.7
70.06597	9.0
70.71323	0.7
71.08617	1.8
76.35300	0.8
85.10173	1.1
85.90046	0.8
88.07628	27.1
92.17854	2.2
101.98364	1.0
102.09179	13.0
240.26794	1.2
284.29456	70.0
319.50409	1.0
328.32095	4.3
346.33127	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	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58018	0.5
50.69675	0.5
51.76162	0.4
57.07087	4.4
58.06594	0.7
70.05482	0.5
70.06594	9.3
71.08610	2.6
77.42216	0.7
85.10161	2.2
88.07635	23.5
102.09180	16.2
120.79013	0.6
132.10202	0.9
144.68916	0.6
146.11810	0.6
150.11282	0.9
175.36920	0.6
240.26869	1.1
266.65054	0.5
284.29459	72.0
284.61441	0.5
317.80695	0.6
328.32062	6.2
346.33142	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	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51616	0.5
52.15756	0.6
52.30930	0.6
57.07067	4.2
59.55330	0.5
70.06248	0.8
70.06588	9.2
71.08623	2.6
72.98447	0.6
80.62982	0.6
85.10193	2.5
88.07634	24.9
97.50013	0.7
102.09190	13.8
121.46249	0.6
132.10223	1.5
146.11801	0.7
163.63902	0.7
165.97279	0.7
240.26860	1.0
269.04190	0.7
284.29477	73.3
327.92291	0.7
328.32217	3.2
346.17010	1.0
346.33160	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	347.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
57.48502	0.8
59.04968	0.7
69.03425	1.8
72.08146	1.4
73.02899	1.0
81.03421	3.8
83.06091	0.9
84.08141	7.1
85.02917	6.8
86.09700	3.5
87.04436	0.9
91.63168	1.0
97.02899	1.9
98.06053	1.4
98.97556	4.4
109.02884	2.0
120.86310	1.0
122.06024	1.0
123.04411	4.5
124.33035	1.1
127.03918	1.6
129.10254	9.8
130.00676	1.0
137.05992	1.9
140.07021	1.0
147.11327	1.0
158.99591	1.5
163.03893	1.8
166.04945	1.2
166.08650	1.5
167.05341	1.7
167.08971	1.6
173.01233	1.1
173.12877	1.0
177.01862	2.2
185.06430	1.5
185.09973	1.0
186.99112	2.0
190.98495	1.0
191.98976	1.2
219.01772	4.2
235.06314	0.9
243.48938	0.9
250.07033	3.6
250.09535	0.9
251.04207	1.6
253.07652	1.6
329.07294	1.2
329.17856	1.1
347.03726	100.0
347.07559	19.3
347.12762	5.1
347.15433	1.6
347.18689	1.1
347.22806	4.3
356.20410	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	347.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66745	1.2
85.43559	1.3
112.89583	5.5
114.89375	6.3
123.38275	1.3
177.00961	2.7
177.63316	1.3
201.00941	31.1
207.14105	1.3
215.02478	2.1
219.01999	35.4
227.02533	9.0
239.02486	8.1
243.01979	25.7
257.03528	46.5
261.02927	2.9
275.04547	1.8
287.01544	2.1
287.04520	20.6
305.05670	100.0
323.06662	1.6
347.06711	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	347.0739
Annotation	Limocitrin
Peak:m/z	Relative Intensity
64.83015	1.9
80.69189	2.2
84.91389	2.1
95.76612	2.4
110.61674	2.6
116.07933	2.3
123.04367	3.3
130.26559	2.5
134.60593	2.3
185.02312	3.5
254.97078	2.1
347.07358	100.0
347.16568	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	347.0738
Annotation	Cassipourine
Peak:m/z	Relative Intensity
51.23234	2.0
57.03440	2.9
69.03428	5.6
70.59390	2.5
73.02918	3.0
81.03408	4.1
82.60307	2.4
85.02909	18.4
85.78465	2.5
93.40210	2.4
95.67157	2.6
97.02890	10.6
103.83443	2.4
127.03886	11.3
145.04938	3.1
147.03957	4.4
167.05573	3.6
171.04987	3.0
176.06055	22.9
249.08124	3.1
266.09103	4.2
307.44348	2.8
347.03763	5.1
347.07300	100.0
351.11322	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	347.0761
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
60.12360	0.7
67.05498	0.9
69.03435	0.7
81.03413	1.2
81.07063	0.8
91.05476	0.8
93.07030	2.8
94.18274	0.7
95.08589	0.9
105.03396	9.5
105.07043	1.2
107.08565	1.2
108.13761	0.8
109.02857	0.8
109.10179	0.9
119.08599	1.5
121.06473	0.8
121.10123	3.4
123.04346	1.2
125.02268	0.7
125.09597	3.3
127.60992	0.7
129.06999	1.3
131.08513	1.2
133.10080	1.3
134.42694	0.8
135.08064	0.8
135.11722	1.5
137.09474	0.8
141.06905	0.8
142.07747	4.3
143.08542	4.7
145.10161	5.2
147.08014	3.1
153.05495	1.4
153.07007	1.0
154.07776	0.7
155.08566	7.0
156.09331	1.4
157.10104	23.3
159.08051	1.3
159.11676	4.0
165.06958	1.3
166.07738	1.0
167.03368	12.2
167.08507	1.8
168.09264	1.0
169.10092	6.6
171.07970	1.1
171.11555	1.1
173.09601	3.4
173.13202	1.7
179.03372	1.2
181.10132	7.8
182.10925	6.0
183.11691	3.6
187.11174	6.1
191.10612	1.5
192.09358	1.1
195.11655	1.7
196.12489	1.2
197.13272	6.7
207.11621	3.7
210.10367	3.6
225.12766	5.9
233.04425	3.9
247.06027	1.6
248.06686	1.5
258.05252	1.3
259.06049	3.0
259.42892	0.8
275.05667	0.8
287.05402	1.3
293.18976	1.4
298.71960	0.7
303.05017	3.9
304.05807	6.0
311.20151	6.5
315.04956	6.5
329.20950	6.0
332.05225	82.1
347.07578	100.0
347.16425	21.6
347.22186	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0761
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01503	0.5
56.99686	0.5
61.48228	0.5
62.74076	0.5
74.48364	0.5
89.04575	0.5
90.44963	0.5
92.17937	1.1
93.07008	0.8
98.46113	0.5
99.54462	0.6
105.06998	0.8
107.08610	1.1
133.10060	0.8
139.03914	7.2
145.10089	0.7
149.09589	2.9
153.01820	9.7
153.05455	9.7
163.11140	0.9
165.01781	5.3
178.02641	0.9
181.04900	3.7
183.02779	0.8
207.06458	1.3
213.09088	1.4
241.04927	0.7
244.03635	1.0
257.04349	0.8
258.05240	10.2
259.05936	5.3
269.04453	3.0
283.02371	0.8
284.03278	0.8
285.03854	2.7
286.04669	13.5
287.05463	22.0
291.08524	2.8
303.04944	3.1
311.16495	0.7
314.04163	3.8
315.05090	6.5
318.07343	0.9
329.17343	2.4
331.04413	8.9
332.05228	4.2
347.07562	100.0
347.18518	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	347.0762
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
62.87201	0.3
68.75646	0.3
69.85461	0.3
77.57667	0.3
81.07040	0.5
91.74774	0.4
95.04950	0.3
95.08597	0.4
109.06459	0.4
109.10188	0.3
113.05953	0.3
116.48101	0.3
117.06978	0.3
119.08587	0.5
121.02840	0.5
121.10120	0.7
123.04380	0.4
125.09585	0.4
131.08528	0.3
137.01186	0.3
137.02296	1.5
137.05972	0.7
139.03894	7.4
145.10056	0.4
147.08104	0.4
149.09619	2.4
151.03975	0.4
153.00677	0.4
153.01819	10.6
153.05447	10.5
154.06206	2.0
163.03917	1.2
165.01842	5.1
167.07033	0.4
173.09598	0.5
175.99617	0.3
178.02579	1.2
181.04974	3.2
183.02841	2.0
187.11189	1.2
191.10733	0.3
194.02164	0.4
205.12267	0.4
207.06485	1.9
213.05292	0.7
230.05687	0.4
231.06468	0.8
241.04959	1.9
244.03575	0.5
245.04390	0.6
255.02866	0.7
257.04367	0.5
258.05173	9.9
259.05960	5.4
269.04361	3.3
272.03149	0.6
273.04163	0.4
283.02295	1.5
284.03110	1.4
285.03830	2.4
286.02350	0.3
286.04688	12.4
287.05493	21.2
289.03497	0.5
291.08643	3.5
300.02783	0.4
301.03433	0.5
302.04132	1.4
303.04944	3.8
311.20035	1.8
314.04193	3.0
315.04947	5.8
316.05615	0.6
317.02780	0.5
318.07401	0.7
329.17627	0.5
329.21078	1.4
331.04453	10.5
332.05191	5.5
347.07590	100.0
347.18472	1.7
347.22174	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	347.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66518	0.7
67.05515	0.7
70.76199	0.8
107.04942	1.2
125.67467	0.9
133.67604	0.8
137.06003	1.9
140.66508	0.9
145.06549	1.0
151.07510	1.4
178.04984	1.5
179.03362	1.3
201.06487	1.2
213.06671	0.9
227.08197	3.8
229.09673	1.4
231.07663	4.1
241.09830	1.9
255.07593	11.8
255.11292	5.8
257.15399	1.2
267.07684	1.8
269.09308	9.4
273.08667	5.5
283.10754	27.6
287.10281	1.7
293.09259	10.1
299.12799	1.2
301.11877	4.9
311.10269	61.5
329.08218	1.1
329.11319	51.1
347.12411	100.0
347.16876	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	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.03378	0.4
55.01871	2.2
67.33948	0.4
105.07013	0.6
107.04964	0.5
138.05501	0.5
139.03894	3.4
144.54904	0.4
149.09549	0.7
152.03452	1.6
153.01805	4.2
153.05458	3.9
156.86191	0.4
160.03868	0.7
162.05453	0.4
162.61615	0.4
165.01843	2.1
176.07108	0.7
178.04973	1.9
181.05042	1.7
183.02802	0.5
187.05042	2.3
199.08681	1.0
201.06572	2.1
201.10193	0.5
205.06116	0.8
211.08644	0.4
212.10716	0.6
213.06633	3.1
213.10139	0.8
227.08202	4.2
227.11778	0.9
229.09683	2.5
231.07819	3.0
237.10205	2.2
238.08678	0.9
239.08057	0.7
239.11795	0.8
240.10129	0.8
241.09782	3.4
243.11333	1.6
245.09303	0.7
251.07936	0.7
252.06291	0.5
255.07634	14.3
255.11267	6.6
257.09268	2.4
257.12802	2.3
258.05212	3.9
259.06082	2.5
259.10861	0.8
265.09702	4.7
266.08276	1.7
267.07672	2.5
267.11188	0.7
269.04642	0.7
269.09195	11.7
273.08676	5.9
273.11914	1.1
275.10272	0.6
283.10767	28.6
285.03983	0.9
286.04651	5.9
287.05499	8.1
287.10178	3.2
291.08578	1.0
293.09167	10.1
301.11810	5.0
303.04956	0.8
311.10242	67.8
314.04123	1.8
315.04971	3.6
319.12814	0.5
329.11292	51.2
331.04361	4.2
332.05374	1.8
347.07672	37.5
347.12387	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	347.1314
Annotation	Nordercitin
Peak:m/z	Relative Intensity
61.20795	0.5
83.16773	0.7
92.17967	0.6
103.97387	0.5
119.04877	0.6
121.06452	0.7
148.04762	0.6
185.07780	0.6
192.30829	0.6
208.13651	0.6
272.10400	2.1
287.11075	2.4
298.98434	0.6
347.13132	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.42011	0.6
56.54158	0.6
62.45143	0.7
80.48199	0.8
82.80584	0.7
85.02917	1.0
86.09781	0.6
90.06814	0.7
113.45470	0.7
141.55348	0.7
147.04445	1.1
185.04259	3.6
185.07837	25.1
185.09398	1.2
203.05234	5.2
211.91153	0.7
248.63470	0.8
285.13129	1.2
301.12573	13.4
345.01318	0.8
347.13098	100.0
347.16846	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	347.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19421	1.7
51.35185	1.6
58.41909	1.9
67.05484	2.4
69.03406	2.4
69.07046	3.4
71.04945	1.9
79.05478	2.2
81.07044	3.6
83.04996	4.0
91.05412	2.8
93.07016	11.3
95.04955	8.1
95.08574	8.7
105.06999	12.9
107.08584	2.5
109.06491	12.6
119.08540	5.1
121.06480	5.2
121.10104	4.3
123.04379	8.5
123.08055	4.3
133.06430	3.5
133.10092	3.3
135.08035	4.7
137.05972	4.9
137.09579	4.5
142.28130	1.9
145.10080	4.3
147.08038	3.8
149.05888	2.7
149.09558	5.0
151.07471	4.2
151.11224	3.1
157.10124	3.5
159.08070	3.6
161.05988	2.1
161.09586	12.1
163.11252	2.3
165.06998	4.3
171.11743	4.0
173.09647	4.9
175.11218	2.1
178.04953	12.5
179.03378	4.3
179.08508	8.1
179.10657	3.0
182.07300	2.2
183.08009	4.0
191.08539	8.4
193.10345	2.4
195.02870	12.1
195.08018	4.2
195.11534	3.0
197.09618	4.4
199.11147	3.5
205.10217	2.4
207.07930	4.4
208.08797	3.5
209.09612	4.1
210.06772	10.8
211.07574	3.3
211.11108	2.7
213.09062	2.8
213.12769	2.5
218.07320	2.8
219.08113	23.1
219.09990	4.1
221.05923	13.8
223.11102	11.6
224.08441	3.2
225.09071	28.3
225.12657	4.0
227.07086	4.6
227.10680	2.8
233.09389	2.6
235.07469	20.9
236.08307	13.8
237.09293	2.5
238.06245	4.8
239.10608	5.1
239.14070	2.8
241.08507	3.9
241.12305	2.7
242.09187	4.8
247.07509	18.8
250.09895	2.1
251.10675	15.4
252.07748	3.4
253.08601	21.2
255.06590	3.7
255.10085	3.0
264.07764	13.5
265.08685	4.7
265.12338	2.9
265.15741	2.4
267.10062	16.1
269.08090	4.3
269.11307	2.7
270.08847	14.0
271.09479	2.4
273.07520	2.8
279.10184	29.1
281.08151	2.6
283.09525	3.5
285.11203	56.3
287.05396	3.2
296.10428	3.7
297.11325	4.3
297.14883	8.2
299.12787	16.0
301.06943	2.7
303.12247	37.2
311.12769	20.5
311.16113	5.9
315.15915	9.4
317.13818	3.3
329.06927	3.4
329.13992	68.0
329.17435	15.5
347.07526	23.9
347.12042	82.6
347.18491	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	347.1486
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
50.32207	0.9
78.47888	1.0
79.05466	1.6
86.42085	1.1
91.05473	6.5
93.07008	1.4
95.04962	1.7
96.77841	1.2
103.05464	14.0
105.07032	2.1
107.04955	2.1
109.06523	1.2
119.04932	8.6
119.08572	1.2
121.06503	8.7
122.03566	1.8
123.04430	6.5
124.05177	2.5
129.06992	5.6
130.04131	1.4
130.41232	1.4
131.04916	92.6
133.06465	2.1
137.05974	89.4
147.04398	100.0
147.08046	22.0
149.05954	13.4
150.06746	5.6
151.07516	18.4
153.05424	1.3
157.06517	4.8
161.05942	9.7
162.06715	15.3
163.07518	41.3
175.07523	53.5
179.07042	6.4
185.11794	1.3
193.08572	39.5
195.08081	2.4
205.08565	1.8
211.07501	1.8
213.09064	2.4
221.06020	5.1
221.09669	2.2
225.09113	2.4
251.07039	2.6
253.08688	2.4
253.12192	1.7
271.09622	7.0
273.11230	2.5
281.11639	2.4
283.09442	1.9
297.11569	1.8
299.12689	16.7
311.12732	2.1
317.13815	16.7
329.18219	2.1
347.18909	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	347.1676
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
53.49926	0.6
62.54698	0.6
66.17562	0.7
78.23473	0.6
83.97485	0.7
90.15895	0.6
90.68565	0.7
91.05452	0.7
93.07039	0.9
100.27406	0.6
107.04947	7.2
124.61792	0.6
137.05951	1.7
143.24509	0.7
147.04388	0.8
151.07481	1.3
159.07974	0.7
160.41786	0.7
179.03363	3.0
185.11476	1.6
206.37714	0.8
240.75751	0.8
255.07382	0.9
269.09024	0.9
283.10635	3.3
311.10178	9.1
317.13754	1.0
329.11230	7.1
332.51675	0.7
347.12262	14.8
347.16647	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	347.1851
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
50.72048	2.8
57.83244	2.9
62.99972	2.8
63.12741	2.9
69.03426	3.6
70.68633	3.1
72.50399	3.5
75.55613	4.1
79.05476	4.2
81.07044	3.9
83.60835	3.5
91.05451	5.3
92.42383	3.5
93.07030	19.5
95.08585	6.3
105.07037	13.8
107.08593	5.7
109.06522	6.7
111.50890	3.5
119.08559	5.8
121.06527	13.7
121.10136	18.1
123.04385	4.5
133.06516	3.3
133.10114	15.6
135.08093	4.4
135.11685	7.2
137.06105	4.1
143.08589	3.8
145.10129	53.4
147.04349	4.9
147.08031	5.1
147.11673	5.0
161.09569	5.5
163.11151	77.0
169.10103	7.3
171.08078	4.1
171.11705	5.2
173.09610	16.9
177.65718	4.1
179.10683	13.7
181.10161	7.3
185.13297	5.0
191.10674	15.4
192.09320	4.4
195.11661	15.8
207.11652	8.9
209.09660	16.0
209.13220	4.7
217.10110	3.9
223.14886	7.2
225.12706	8.4
235.10953	4.0
237.16359	6.1
265.15942	5.9
267.13702	4.6
269.15442	3.8
283.16968	6.4
285.14865	6.4
305.17313	3.8
311.16507	20.6
329.17520	33.9
347.07690	3.7
347.18484	100.0
347.21826	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	347.1855
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
50.98544	1.1
53.81788	1.1
54.02864	1.2
61.94471	1.1
93.07077	1.6
95.08595	3.0
105.07023	1.4
107.08596	2.5
111.08072	2.9
121.10162	10.8
137.06050	1.2
145.11703	1.2
151.03894	5.1
161.05934	13.4
175.07518	2.9
177.05544	1.7
177.09023	1.3
181.06546	1.2
188.15547	1.3
189.05507	2.6
191.10693	1.4
193.08594	42.8
193.12265	1.8
197.09789	2.0
199.11137	1.5
201.09067	1.9
205.08646	1.9
213.05742	1.2
215.10736	2.2
219.10196	2.1
223.11136	6.2
225.09268	1.6
227.07109	2.5
229.08829	1.9
231.10146	30.4
231.13791	1.3
241.12212	6.7
243.10147	7.2
243.13818	2.1
245.11761	20.0
251.10626	2.4
255.10103	5.5
257.66257	1.3
259.13303	6.3
265.15869	7.7
268.10941	2.5
269.11743	12.6
269.15070	1.7
271.13400	1.5
283.17020	6.3
285.14920	4.9
286.11877	1.8
287.12790	7.2
293.15414	1.9
305.17426	6.1
311.16345	11.6
329.17477	100.0
347.18439	16.9
347.22226	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	347.1854
Annotation	Gibberellin A37
Peak:m/z	Relative Intensity
52.02448	0.6
52.79278	0.6
57.03432	0.7
57.93712	0.7
59.48576	0.7
63.82804	0.7
69.07058	0.7
78.09377	0.7
81.07080	1.3
83.08638	1.1
85.06541	1.3
93.07017	0.8
107.46585	0.7
111.08081	4.4
142.49901	0.8
143.20953	0.8
157.06445	1.0
161.06029	0.9
165.09102	14.8
167.49756	0.8
173.05922	1.3
179.07008	1.4
181.06566	1.1
185.09587	1.2
187.11139	0.8
191.10716	0.8
193.08603	4.5
195.11713	1.8
199.07629	3.5
199.11226	1.5
201.09058	2.6
203.07167	1.3
203.10686	3.6
205.08569	4.6
207.10123	0.9
209.09576	3.9
210.29781	0.9
211.07599	1.5
215.10661	14.0
216.07886	1.0
217.08574	7.1
217.12198	3.3
219.10188	3.9
223.11159	10.9
225.09146	1.9
227.07014	1.4
227.10646	4.5
229.08607	0.8
231.06505	3.8
231.10175	22.6
237.16463	1.6
239.10970	1.0
239.14209	1.0
240.11374	1.9
241.12224	7.9
243.10155	1.9
243.13821	3.3
245.08109	1.7
245.11728	7.3
251.10696	1.6
251.14371	1.5
253.12190	1.3
255.10150	0.8
256.10773	0.8
257.15414	0.9
259.13373	6.5
265.05127	0.9
265.15955	6.5
268.14609	1.2
269.11722	7.5
269.15414	3.2
283.13318	5.0
283.16910	20.2
285.14844	1.3
287.12869	4.7
287.16470	3.4
293.15305	3.0
299.16428	3.2
301.18112	5.4
311.16339	10.3
329.17422	15.6
347.18539	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	347.1854
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
59.04989	1.5
59.25779	1.2
61.12131	1.1
67.05473	1.1
69.03423	1.9
69.07040	1.1
70.22686	1.0
75.52618	1.0
91.88640	1.3
93.07006	2.0
95.04939	1.1
95.07807	1.0
95.08584	5.8
97.06544	1.7
101.15112	1.0
107.08550	1.7
109.10139	8.1
112.34966	1.3
119.08572	1.5
121.06531	1.4
133.10135	1.7
137.09610	2.7
145.10101	2.0
147.07977	1.9
149.09624	1.7
151.11209	5.1
157.06438	1.4
157.10083	1.7
159.08032	4.6
161.09578	2.1
163.03848	11.6
165.05463	23.3
169.10135	2.0
173.09590	2.5
175.07529	2.8
177.05440	13.7
177.09045	1.5
179.07069	2.1
179.10648	5.1
185.09444	4.5
187.11107	1.6
189.09146	2.1
191.07069	9.2
195.06503	4.5
195.11655	1.8
197.09665	2.4
199.11101	5.1
203.07056	1.5
203.10606	5.9
211.14772	1.3
213.12675	4.8
215.10736	2.0
217.08548	2.0
217.12224	2.6
219.10136	5.2
223.11172	1.5
227.10538	2.3
227.14137	1.2
229.08601	1.5
229.12134	1.4
241.12143	6.0
243.13777	4.4
245.11784	2.5
251.11060	1.2
251.14253	1.4
253.15863	1.5
255.13835	1.6
259.13266	2.9
269.15302	1.8
271.13141	2.0
283.16803	1.7
285.14984	2.3
287.05511	1.4
287.12549	1.3
287.16321	4.5
293.15326	1.8
301.14267	28.7
301.17850	6.1
305.17453	6.0
311.16226	5.3
329.13763	2.4
329.17450	49.5
347.14279	14.8
347.18469	100.0
347.22702	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	347.1852
Annotation	Isorosmanol
Peak:m/z	Relative Intensity
51.70718	0.9
54.68626	1.1
57.07075	1.5
67.05505	1.2
69.07074	11.4
78.15736	1.0
78.91247	1.0
83.04972	2.1
85.06557	1.2
95.08591	2.4
97.06509	6.2
105.07089	1.3
107.08613	1.7
109.06486	1.9
112.25206	1.2
119.08546	1.8
119.31031	1.1
121.06524	2.1
121.10104	1.9
133.10054	1.3
145.10199	1.4
147.07950	1.6
149.06023	2.0
151.11232	1.3
163.07518	5.4
171.97961	1.2
173.05975	2.5
173.09601	2.5
174.45247	1.3
175.07549	7.3
179.06992	5.9
179.08450	1.4
183.11502	1.5
185.05907	1.4
185.09618	1.3
187.11115	1.4
189.05489	2.0
191.07030	7.2
195.11748	1.7
199.07512	2.0
199.11147	2.8
201.09196	1.3
203.06999	23.2
203.10544	2.0
205.12271	1.5
209.09598	5.4
213.12735	5.1
215.10701	6.6
217.08690	4.9
217.12212	4.6
219.10170	17.2
223.11105	8.4
223.14766	1.3
227.07083	4.8
227.10640	21.3
231.10097	12.5
231.13853	1.3
232.10989	2.5
233.11775	10.6
241.12309	9.1
241.15895	1.4
244.11089	1.7
245.08034	8.0
245.11700	35.5
250.39601	1.2
251.10732	2.3
251.14134	1.4
255.10480	1.2
255.13503	1.5
257.11731	2.3
259.09705	2.3
259.13303	5.4
269.11707	10.4
269.15274	6.7
274.11789	1.3
277.10641	5.1
283.16956	4.8
286.11877	1.2
287.12796	11.4
287.15637	1.3
301.18002	5.5
304.13058	2.3
305.13861	16.0
311.16589	2.1
329.17432	18.6
347.18497	100.0
347.22086	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	347.1852
Annotation	Macrocalyxoformin A
Peak:m/z	Relative Intensity
59.05001	1.4
65.43248	1.3
68.43908	1.4
69.07047	1.6
85.06520	2.6
95.08606	1.6
95.99304	1.6
137.45114	1.6
142.32291	1.5
163.07581	1.8
165.09062	19.1
193.08591	6.4
195.11769	2.8
197.09616	3.0
199.07469	2.0
199.11102	3.0
200.55573	1.9
201.09142	2.7
203.10583	6.1
205.08572	3.3
207.09856	1.6
215.10648	18.0
217.08557	6.0
219.10306	1.9
223.11166	15.7
227.06963	2.9
227.10654	7.2
229.08588	2.2
229.12157	2.8
231.10179	27.6
240.11449	6.4
241.12167	13.5
243.13832	2.5
245.08131	2.2
245.11716	6.9
251.14258	2.0
253.12064	2.2
259.13269	7.5
265.15820	9.4
268.10843	2.6
269.11703	13.0
269.14612	1.4
283.13837	2.9
283.16882	21.9
287.12750	2.8
287.16403	2.9
293.15411	1.8
299.16354	2.1
301.17899	8.4
311.16290	11.3
329.17368	12.9
347.18503	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	347.1853
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
67.05505	2.6
69.03419	3.5
69.07047	3.4
72.00537	1.4
79.05513	2.0
81.03407	1.8
81.07039	2.8
83.04974	6.6
91.05450	2.8
92.17863	2.8
93.07028	8.6
93.55829	1.4
93.69717	1.3
95.04952	6.4
95.08579	7.0
97.02898	1.5
97.06510	3.2
98.97546	1.5
105.07016	9.4
107.04938	2.8
107.08577	9.2
109.06508	8.7
109.10159	2.1
111.08048	1.7
114.09178	14.3
115.09502	2.4
119.08558	9.0
121.06478	7.3
121.10133	7.3
123.04420	3.3
123.08058	6.4
125.05958	2.2
125.09634	2.5
126.57071	1.3
128.06354	1.3
131.08557	3.4
133.06477	3.1
133.10124	2.6
135.08070	4.8
135.11665	1.7
137.05960	9.9
137.09647	2.0
139.03928	2.4
143.08554	5.7
145.06419	1.6
145.10159	6.7
147.04393	2.4
147.08034	2.9
147.11688	2.5
149.05983	5.5
149.09624	2.5
151.03893	11.6
151.07504	2.3
153.05447	2.5
155.08601	1.7
157.10106	9.7
159.08037	5.6
159.11676	6.2
161.06003	2.0
161.09613	5.7
163.07533	3.3
163.11168	3.0
165.05516	2.6
165.06877	2.2
165.09186	3.1
167.08498	3.1
169.10030	1.8
171.08099	1.8
171.11629	5.9
173.09615	7.6
173.13211	3.3
175.07562	2.7
175.11221	2.2
177.05476	2.1
177.09056	5.6
179.08511	1.7
180.09378	1.8
181.10091	11.1
183.11687	7.9
185.09604	3.1
185.13174	2.1
187.11209	6.2
189.09071	2.1
189.12733	5.6
191.07237	1.6
191.10706	1.8
193.10094	2.9
195.11691	8.3
197.09573	5.9
197.13298	5.8
199.11200	9.2
201.09125	2.3
201.12697	6.6
207.11845	2.6
208.12456	1.9
209.09651	2.7
209.13286	5.6
211.11195	2.7
211.14853	3.5
213.09196	1.7
213.12767	8.5
213.16096	1.6
215.07211	1.5
215.10686	2.8
217.12263	2.6
222.14076	1.6
223.11328	2.2
223.14772	3.2
225.12642	2.8
227.10689	2.5
229.12225	8.0
231.13890	2.2
231.99812	1.7
237.16426	2.7
239.14189	5.1
241.15923	2.8
247.14990	1.7
251.14249	1.8
255.17299	1.8
257.15494	1.8
259.13577	2.0
265.15875	3.5
265.89194	1.6
269.15399	7.0
281.15390	2.8
283.17020	9.9
285.14804	2.0
293.15363	2.4
299.16364	5.7
301.18011	6.3
311.16534	14.3
311.19748	2.4
329.17456	24.6
329.21036	2.4
347.07632	1.6
347.15109	4.8
347.18530	100.0
347.21906	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	347.1852
Annotation	PF-622
Peak:m/z	Relative Intensity
59.04993	0.7
79.05489	0.4
81.07038	0.4
83.04958	0.7
85.06552	0.5
95.08598	1.0
97.06518	1.7
99.08084	3.1
103.29549	0.4
147.49655	0.4
152.83478	0.6
193.04971	1.0
199.07280	0.5
199.66548	0.4
207.06502	0.5
217.08664	0.9
217.12209	0.5
221.08147	0.7
231.10109	0.9
233.11864	0.7
235.09613	6.6
245.11678	2.0
247.09547	0.7
249.11205	0.9
261.11197	2.1
269.11798	0.5
269.15494	0.5
271.13214	0.6
283.16901	0.5
286.12003	0.7
287.12628	1.6
289.14267	1.0
302.14148	0.5
311.16458	1.6
314.15167	0.5
329.17361	1.9
331.15381	0.7
347.18503	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	347.1854
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
52.60232	1.2
61.72245	0.9
64.25397	1.0
67.05479	5.0
69.07056	1.5
79.05474	1.7
81.07040	1.5
81.51402	1.4
83.04974	1.7
86.07584	1.1
91.05485	2.6
92.18391	1.4
93.07029	8.9
95.04960	2.3
95.08586	2.4
105.07004	12.1
109.06503	5.9
111.04419	1.5
115.43436	1.1
119.08547	2.2
121.06480	7.7
121.10137	2.4
123.04436	13.6
123.08047	2.0
131.08592	1.7
133.06531	1.5
133.10120	35.8
135.11647	1.6
137.05986	1.6
139.03880	1.4
139.07536	2.4
143.08557	4.6
145.10092	5.1
147.11545	1.2
148.05251	1.2
149.05943	4.6
151.07494	2.1
157.10110	2.6
161.09602	37.3
167.07002	2.0
171.11702	12.4
174.38936	1.2
189.12682	1.8
193.10185	1.6
195.11676	4.8
197.13266	1.8
209.13406	1.9
221.13258	5.8
223.11235	2.7
223.14764	3.0
232.12489	2.0
235.14760	1.4
239.14246	1.5
247.14726	5.1
263.14304	2.4
265.15869	5.3
293.15323	2.2
329.17294	5.8
347.18524	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	347.1853
Annotation	Maoecrystal C
Peak:m/z	Relative Intensity
65.59956	1.1
81.07037	1.3
86.63454	1.1
95.08608	2.1
96.65602	1.4
97.15768	1.1
107.08571	1.4
111.08050	5.5
111.91308	1.1
112.78963	1.1
119.08518	1.4
121.10117	6.6
151.03906	2.4
189.05469	1.9
193.08553	26.8
201.09090	1.5
203.10739	1.7
205.08653	2.4
215.10750	1.9
217.08624	1.6
219.10164	1.6
223.11160	2.3
226.90727	1.3
227.07169	1.7
231.10124	32.3
241.08540	1.4
241.12201	8.0
243.10118	6.1
243.13873	2.0
245.08038	1.5
245.11932	1.6
251.10634	4.7
255.10170	4.9
257.11658	1.6
259.13412	2.7
265.15887	9.1
268.11011	4.4
269.11722	10.1
269.15387	1.5
273.11212	1.4
283.16891	7.4
285.14880	5.3
287.12811	2.6
293.15393	1.5
301.18008	2.2
305.17374	2.8
311.16324	12.6
329.17422	100.0
347.18375	10.5
347.22171	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	6beta,11alpha-Dihydroxyprogesterone
Peak:m/z	Relative Intensity
55.05499	3.1
67.05467	2.0
72.14509	1.6
79.05477	2.0
81.07062	7.7
89.85850	1.9
92.18443	2.4
93.07045	15.4
95.04944	2.3
95.08592	4.3
97.06519	1.8
105.07018	11.9
107.08578	8.4
109.06479	3.8
109.10153	3.4
114.22833	1.9
117.07042	3.2
119.08556	11.0
121.06464	4.0
121.10117	11.1
123.08063	7.3
123.11718	3.1
125.09610	15.9
129.06981	2.6
131.08534	9.1
131.40286	1.6
133.10138	12.5
135.08095	7.0
135.11700	11.2
137.09608	2.6
143.08536	4.6
145.06540	2.5
145.10109	12.7
147.08017	11.3
147.11685	3.2
149.09564	9.2
151.11166	21.1
155.08548	2.1
157.10104	3.6
159.08093	6.1
159.11676	16.1
161.09636	7.1
161.13246	2.2
165.09099	2.7
167.03387	3.6
169.10080	8.4
171.08046	9.1
171.11688	3.5
173.09634	19.7
173.13255	12.4
175.07489	2.1
177.05450	4.6
177.09079	2.0
177.12784	3.6
181.10065	2.7
183.11700	3.7
185.09543	2.7
185.13182	2.1
187.11183	27.1
189.09114	2.7
191.10677	10.4
195.11707	7.9
199.11154	3.9
201.12711	2.2
203.10698	2.0
205.12273	9.8
211.14693	2.4
213.12711	3.5
215.10657	2.6
217.12212	2.5
223.14859	3.2
225.12804	2.3
225.16135	1.8
227.10733	2.6
231.10231	7.1
237.16232	6.2
241.12238	4.1
253.15941	7.4
269.15344	3.0
275.23019	2.0
283.16815	2.9
293.15790	2.3
293.19009	12.0
301.18018	2.7
310.91919	1.9
311.16696	3.8
311.20038	24.1
329.17450	29.4
329.21103	28.5
332.05301	11.0
347.07700	31.9
347.18427	34.7
347.22189	100.0
347.25317	3.7
347.26364	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	347.2215
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
67.05497	3.6
79.05507	2.4
81.07044	7.3
82.47577	1.3
85.35099	1.6
91.05458	2.3
93.07034	12.8
95.08594	3.0
97.10181	1.8
105.07016	9.3
107.08565	9.9
109.06483	1.7
109.10139	3.6
114.09150	2.3
117.06988	2.0
119.04942	1.7
119.08547	6.4
121.06506	2.8
121.10120	11.3
121.68008	1.3
123.08060	8.8
125.09612	15.3
129.06946	2.1
131.04980	2.6
131.08537	10.0
133.06453	2.3
133.10097	9.9
135.08026	10.0
135.11716	10.9
137.05928	6.0
143.08536	6.1
145.10103	16.0
147.04378	1.6
147.08104	12.8
147.11626	2.2
149.09668	3.3
151.03900	2.0
151.11143	2.9
151.28641	1.6
155.08450	2.1
157.10106	7.1
159.08035	6.4
159.11662	18.3
161.09595	9.3
163.11154	1.9
169.10132	7.7
171.08011	6.4
171.11676	2.9
173.09628	16.6
173.13203	10.6
183.11719	2.5
185.09697	2.2
185.13271	1.5
187.11189	32.4
189.09108	6.7
189.12737	1.9
191.10645	10.3
195.11697	2.9
201.12697	2.5
205.12115	10.5
211.14810	2.7
213.12859	2.1
219.13574	1.8
223.14946	2.1
225.16359	1.8
237.16408	2.1
239.14232	1.9
251.14243	2.0
253.15846	7.1
255.17360	2.0
265.19431	2.9
269.18942	3.7
293.18970	14.9
311.20013	34.4
329.17361	2.1
329.21133	30.9
347.18518	5.3
347.22147	100.0
368.01413	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	347.2217
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
50.39669	1.5
56.70363	1.5
58.93924	1.4
60.41116	1.5
69.07030	2.3
71.04971	2.7
79.05487	6.8
81.07036	10.1
91.05471	3.8
93.07028	13.1
95.08595	4.1
97.06524	2.1
97.85474	2.0
103.06606	1.8
105.07002	12.0
107.08558	9.8
109.02908	2.3
109.06493	7.2
109.10139	7.0
111.08098	1.8
112.62000	2.1
117.13805	2.0
119.08552	6.6
121.06433	2.8
121.10143	19.3
123.08044	9.2
123.11679	4.1
124.08832	2.6
125.09651	16.5
128.94789	1.6
131.08527	12.5
133.06487	2.8
133.10109	11.7
135.07967	2.6
135.11676	8.2
137.06001	2.2
139.11122	2.2
143.08545	4.0
145.06528	2.9
145.10072	13.6
147.08083	7.4
147.11673	2.0
149.09636	3.1
151.11115	3.0
157.10118	8.9
159.08072	3.0
159.11655	16.5
161.09593	3.2
161.13223	3.2
167.10608	3.3
169.10066	7.3
171.08047	3.0
171.11623	6.5
173.09622	15.8
173.13208	9.2
175.11191	2.1
187.11188	29.6
189.09085	2.8
191.10686	9.8
195.11749	2.5
201.12761	2.8
205.12164	7.7
211.14821	1.9
213.09013	6.6
213.12695	4.3
241.12225	2.1
241.15857	2.2
255.10103	2.7
265.19183	2.0
293.18918	13.7
311.16473	2.8
311.20004	31.9
329.17587	3.6
329.21033	21.5
347.07800	2.1
347.18338	11.9
347.22156	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	347.2216
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
67.01515	1.2
77.05598	1.3
79.05507	1.9
81.07055	7.8
85.34747	1.3
91.05478	3.3
92.17838	2.9
93.07027	9.4
95.04946	1.6
95.08578	3.3
105.07004	8.4
107.08574	8.1
109.06488	5.4
109.10147	3.1
117.07009	2.0
119.08567	6.8
121.06483	2.8
121.10137	12.2
123.08038	8.3
123.11681	1.6
125.09637	15.0
129.06975	1.9
131.08571	12.2
133.06409	1.4
133.10098	6.4
135.08066	2.5
135.11668	9.1
143.08542	8.5
145.06526	1.9
145.10120	15.0
147.08061	8.3
147.11623	1.8
149.09615	6.9
151.11159	5.6
155.08571	1.5
157.10147	5.6
159.08043	8.2
159.11685	16.7
161.09593	7.1
161.13274	1.5
163.11215	1.4
169.10085	7.0
171.08009	3.3
171.11725	2.4
173.09616	18.7
173.13252	9.1
177.09256	1.6
177.12799	1.7
183.11755	2.2
185.09576	1.7
185.13335	1.6
187.11191	35.1
189.09160	2.9
191.10681	8.6
199.11108	1.9
203.10686	1.4
203.14183	2.0
205.12299	10.3
209.13292	1.6
211.11156	1.8
213.12711	1.9
219.13695	2.0
223.14917	2.0
225.16405	1.6
237.16284	2.0
253.15825	3.0
255.07681	2.2
255.11014	2.1
255.17239	1.7
270.85751	1.5
283.10782	2.7
293.08951	1.7
293.18954	15.2
311.10233	13.5
311.20020	31.3
329.11288	9.4
329.21054	31.5
347.08133	2.0
347.12555	19.0
347.22150	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	347.2217
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
66.09143	0.9
68.90487	0.6
72.15137	0.7
76.00115	0.8
80.65755	0.8
92.26212	0.8
105.42465	0.8
121.10136	22.2
124.98779	0.8
137.06010	1.2
139.11188	1.7
151.03886	9.5
151.07579	1.4
162.06671	1.1
167.07014	1.6
171.08008	1.1
177.09068	1.5
179.10683	1.2
191.07056	4.1
191.10677	1.1
193.08591	100.0
201.09081	3.6
205.37926	1.0
209.11734	1.3
215.10854	1.6
215.14247	3.9
219.10081	1.0
233.11696	3.8
237.12770	1.1
243.13786	5.5
259.13263	0.9
259.40125	0.9
269.15332	1.8
287.16592	1.1
305.17419	13.4
311.20078	1.2
329.17596	2.6
329.21051	1.2
347.22147	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57227	1.9
97.02907	4.2
136.06187	100.0
224.91725	2.3
254.93332	2.2
268.19458	2.2
288.65826	2.4
312.06198	2.2
348.07135	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	348.0702
Annotation	Adenosine 3'-monophosphate From Yeast
Peak:m/z	Relative Intensity
51.46230	0.2
67.11871	0.2
69.03420	0.5
84.83951	0.3
85.02892	1.5
86.26442	0.4
97.02889	8.7
106.42113	0.2
122.06008	1.1
123.04418	0.3
123.06801	1.6
127.03894	0.5
135.79514	0.3
136.06183	100.0
138.05510	1.1
140.07059	0.3
150.05504	3.9
168.06540	5.9
175.49663	0.3
175.85808	0.3
178.94936	0.3
184.09747	0.3
185.17337	0.3
186.07590	3.7
285.05975	0.3
312.10947	0.3
330.12030	0.3
348.07080	15.6
348.12720	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	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85981	0.4
57.03435	0.6
58.57508	0.4
62.36387	0.4
64.79420	0.4
69.03417	2.5
72.08142	1.1
73.02914	0.5
81.03407	2.0
84.08125	0.7
85.02909	7.3
86.09708	4.0
94.06538	2.1
95.04967	0.6
97.02874	6.0
98.97567	1.0
107.04942	4.2
109.02884	0.9
121.06445	0.8
122.06024	36.1
123.04417	5.8
127.03912	1.2
132.95815	0.6
136.06183	34.9
138.05516	1.0
140.07100	1.0
145.04973	0.8
150.05499	72.6
151.03882	2.3
151.07564	1.1
152.07179	0.6
158.99655	2.2
162.70174	0.6
163.03903	0.5
168.06548	100.0
169.04955	3.2
186.07610	38.8
186.14775	0.8
215.13815	0.6
219.01698	1.2
243.13416	0.6
269.05307	0.5
304.15390	0.6
304.25958	0.5
339.10226	0.6
348.03613	0.9
348.07150	5.4
348.13495	7.1
348.17679	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	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35398	0.4
57.03433	0.7
61.02917	0.7
67.05483	0.6
69.03429	2.6
69.88347	0.4
73.02888	0.6
73.73356	0.4
74.22110	0.4
79.77320	0.4
81.03418	2.1
85.02906	16.6
86.09708	1.8
87.04479	0.6
91.03948	1.0
97.02889	9.5
98.97561	0.7
98.98448	1.9
99.04468	0.6
106.05051	0.5
107.04973	0.5
109.02898	0.9
122.06042	1.0
123.04425	57.3
127.03927	2.4
136.06186	100.0
145.05006	2.3
150.05518	4.1
151.03896	17.4
164.99489	3.4
168.06551	5.2
169.04945	32.0
178.02116	0.6
180.08656	2.5
186.07587	6.2
210.09279	0.5
215.13983	0.5
224.91383	0.5
234.98848	0.6
339.22711	0.5
348.07016	16.8
348.12601	4.3
348.18054	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	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.1
69.03424	2.4
70.58369	0.5
74.08418	0.6
77.00961	0.7
78.49782	0.6
80.21936	0.7
85.02908	18.7
91.03947	2.4
91.05479	3.2
95.04956	1.3
96.59505	0.6
97.02887	4.7
119.04944	5.1
126.08721	0.7
127.03908	3.9
145.04968	3.3
151.07536	100.0
169.08620	10.1
180.08711	1.5
361.90811	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	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47706	1.5
53.77048	1.5
57.03429	2.0
60.05643	1.7
61.02919	1.7
69.03419	7.1
77.58675	1.8
77.65062	1.8
83.01241	1.8
85.02901	33.2
87.04495	1.7
96.42368	1.8
97.02883	10.4
99.04482	1.7
105.07029	4.2
123.04423	100.0
127.03866	2.8
133.06479	24.4
145.04953	7.8
151.07539	55.0
156.13766	2.0
169.08571	59.9
180.08705	3.1
186.11218	3.0
201.07103	1.9
206.10735	1.9
222.18510	2.2
316.89133	2.0
327.76880	2.1
348.07681	2.0
353.76785	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	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.2
69.03423	1.8
84.47400	1.0
85.02901	18.9
86.96902	1.0
91.05470	2.4
97.02876	4.7
101.81239	1.0
103.33907	1.1
119.04953	7.9
123.04415	7.0
127.03930	3.9
133.06508	1.6
145.04886	1.5
151.07535	100.0
160.06256	1.0
169.08574	16.7
180.08629	1.6
193.08727	1.1
212.65662	1.0
259.09326	1.3
307.72064	1.0
348.13339	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	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70800	0.8
60.04515	1.5
61.02916	0.9
69.03423	1.4
81.03426	1.3
81.07057	1.0
85.02911	13.3
88.02291	0.8
91.05471	4.0
95.04945	1.1
97.02886	4.5
112.07567	1.6
119.04943	5.3
123.04462	1.1
127.03897	2.1
137.06013	1.3
145.04961	1.9
145.54897	0.9
151.07539	100.0
169.08604	17.8
169.90669	0.9
180.08615	1.2
193.11934	0.8
244.92270	1.0
254.08620	0.9
277.10580	2.0
295.11783	1.2
330.26419	1.9
348.26736	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	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13544	0.4
59.73109	0.3
61.02926	0.4
61.88933	0.4
85.02913	5.3
85.61471	0.4
86.09701	0.6
97.02885	2.4
98.97596	0.8
99.04444	0.5
107.04956	100.0
123.04408	0.7
127.03855	0.5
133.06506	1.9
136.06197	5.6
147.04395	2.8
150.92036	0.4
151.07530	9.0
165.22678	0.4
172.20352	0.5
186.11308	0.8
215.22971	0.4
216.03622	0.5
219.01808	0.5
296.92532	0.5
348.16602	0.7
349.99976	0.4
366.21143	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	349.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83184	1.1
53.09317	1.0
63.29384	1.0
66.01829	1.1
66.42175	1.1
82.23123	1.1
90.90639	1.0
95.13125	1.2
98.97587	7.9
98.98692	1.3
116.98625	2.5
118.08675	1.4
131.00136	2.7
144.31519	1.2
149.01257	1.4
154.93271	2.1
166.08409	1.3
172.94316	8.3
190.95393	5.9
191.02348	5.6
196.94310	22.1
198.95712	1.5
203.00679	2.0
209.03319	10.6
210.95915	16.9
214.95383	52.3
216.97050	1.7
221.01741	2.4
222.95905	7.8
227.04361	1.3
228.96936	47.1
232.96416	34.9
240.96866	11.3
245.01625	1.6
246.97969	31.5
250.97563	1.9
251.05406	7.9
258.97964	7.0
259.03381	6.2
264.99054	4.4
281.48846	1.2
288.99048	100.0
289.04324	3.0
307.00131	42.7
307.05463	13.8
313.08051	1.3
349.01163	7.3
349.06567	2.3
349.10837	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.53627	0.6
63.75100	0.7
84.40372	0.6
91.90579	0.6
120.85825	0.7
151.18539	0.6
159.97433	0.8
187.03549	1.0
349.08911	100.0
349.12643	5.5
374.84744	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
56.58107	0.8
56.89190	0.8
66.34951	0.7
163.03864	1.3
169.09680	1.0
187.09442	1.7
188.92867	0.9
282.05460	0.8
314.99438	0.9
349.08939	100.0
349.14484	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	349.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18732	0.5
65.03921	0.5
67.05476	0.6
69.03415	1.3
74.59200	0.5
79.05493	0.7
81.07046	0.6
88.45615	0.7
97.02880	1.0
107.04956	1.3
109.06522	0.6
112.29576	0.6
121.06516	1.1
123.04424	0.9
125.06004	2.4
127.50594	0.6
133.10054	0.6
137.05948	1.3
143.08569	0.7
145.06500	1.0
149.05966	10.2
152.74217	0.6
153.05458	54.5
155.08559	0.8
157.10124	0.7
159.08072	0.6
159.11543	0.7
163.07527	0.9
164.65057	0.5
167.07022	100.0
173.06026	2.0
173.09608	3.9
177.05446	9.5
178.06169	1.2
178.62794	0.6
183.11607	0.6
191.07018	1.3
195.06555	0.7
197.07993	0.9
197.09622	1.1
199.11189	2.6
209.08015	5.3
211.11136	1.3
213.12706	0.7
223.09447	1.0
225.12743	1.2
231.13771	1.3
253.12286	1.1
271.13211	1.2
289.14304	0.6
331.11823	0.7
349.12735	3.2
349.16452	11.5
349.20160	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	349.128
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
57.44785	0.4
65.76295	0.4
67.80240	0.4
83.67251	0.4
92.18453	0.8
94.30836	0.4
95.04887	0.5
95.08623	0.4
95.60712	0.4
103.05476	0.5
103.93652	0.4
105.06966	0.7
107.04903	0.7
121.06507	1.0
123.04404	0.6
125.05902	0.8
131.04861	0.7
135.04362	0.7
137.05963	1.0
149.05971	11.7
152.04652	0.5
153.05455	52.4
155.08519	0.5
157.10104	0.9
161.76720	0.4
163.03876	0.6
163.07413	0.7
167.07016	100.0
173.05861	0.5
173.09573	0.6
177.05447	8.8
178.06381	0.6
179.06982	0.4
181.08597	0.7
189.38240	0.4
191.07051	1.8
197.08064	1.0
199.11174	0.5
205.08575	0.6
209.08037	5.1
211.11153	0.7
223.09622	0.5
225.12733	1.7
253.12064	0.7
271.13196	0.7
271.54315	0.5
331.11725	0.6
331.18991	0.9
349.12808	4.7
349.16541	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	349.1393
Annotation	Achillamide
Peak:m/z	Relative Intensity
52.64787	0.6
73.84171	0.6
81.07076	1.3
93.07022	0.8
105.07052	0.8
109.06495	0.9
112.02348	0.7
113.22743	0.8
115.28182	0.7
135.66328	0.9
157.10167	0.7
170.95856	0.7
195.11728	0.7
215.08171	2.9
217.09689	16.0
225.12776	1.1
230.10420	1.2
239.11769	4.2
243.11230	6.3
257.09161	4.7
257.12814	4.1
258.09952	3.0
261.12311	2.7
267.11288	9.5
269.12759	1.1
271.10757	5.7
271.13315	1.0
275.10175	3.1
285.12320	17.9
287.13751	1.0
289.11807	5.0
295.10779	17.0
303.13440	7.0
307.12891	1.1
313.11798	39.1
331.09567	0.9
331.12851	37.2
349.13876	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	349.2009
Annotation	Ingenol
Peak:m/z	Relative Intensity
52.52453	0.5
55.01868	0.5
55.05519	0.9
57.03442	1.3
60.37778	0.6
67.05498	3.6
69.03422	0.8
69.07063	2.8
79.05478	0.9
81.07057	3.1
83.04974	2.5
83.08607	0.8
85.06504	0.8
86.53511	0.6
91.05494	1.1
93.07030	3.1
95.08014	1.3
95.08602	29.9
97.06520	1.5
103.04800	0.6
105.07034	1.5
106.53704	0.6
107.08595	5.4
107.88040	0.6
109.06539	1.3
109.10146	2.6
111.08108	1.0
113.09643	3.0
119.08573	2.8
121.06532	1.2
121.10165	0.8
123.04383	1.3
123.08054	1.3
125.05951	0.8
129.06998	1.4
131.08575	0.8
133.06517	1.1
133.10109	0.9
135.08018	1.4
140.07486	0.6
142.07762	0.8
143.04942	0.9
143.08583	1.6
145.06503	1.3
146.07286	1.1
147.08049	1.3
149.05974	1.0
153.90776	0.6
155.08543	2.9
156.09418	0.8
157.06488	0.8
157.10068	1.2
159.04384	3.0
159.08051	6.0
161.05991	1.0
161.09572	1.0
163.07564	1.2
165.09103	21.5
166.07800	0.7
167.08530	1.0
169.10141	3.2
171.11694	1.0
173.05962	2.5
173.09587	2.7
175.07533	1.4
177.05493	3.8
179.07088	1.4
179.08566	1.5
179.10701	1.5
181.10103	2.7
183.08032	1.2
183.11740	2.7
185.05972	0.9
185.09581	4.9
187.07567	1.0
187.11070	0.8
189.05516	1.5
189.09151	1.4
191.06990	1.1
191.10521	1.9
192.09323	0.9
193.08595	6.6
193.10139	2.3
195.08182	1.2
195.11700	1.0
196.08936	0.9
197.05928	1.3
197.09651	6.9
197.13235	1.1
198.10544	1.0
199.07635	1.3
199.11200	10.0
201.09206	4.9
203.06956	1.2
203.10655	5.2
205.08640	4.9
205.10318	0.8
205.12259	0.8
207.10164	12.3
207.11789	2.2
208.08917	0.9
209.06119	0.7
209.07999	3.1
209.09708	3.9
210.10416	3.5
211.07565	3.1
211.11198	15.1
212.08192	0.8
212.11870	1.1
213.09152	3.7
213.12726	4.7
215.07094	2.6
215.10735	6.6
217.08537	1.0
217.12210	8.9
219.10170	6.0
220.08801	1.2
221.11812	0.8
223.11218	2.8
225.09233	1.3
225.12761	13.9
227.10692	6.6
229.08600	1.2
229.12189	8.5
231.10150	32.0
231.13623	1.1
235.11201	3.2
238.09897	1.0
239.10707	1.2
241.12216	7.8
242.13092	1.1
243.10207	0.9
243.13817	5.4
245.11711	5.0
251.14325	2.4
252.11382	0.9
253.12219	12.5
253.15877	1.4
255.13713	0.9
257.11707	6.1
257.15567	1.2
259.13220	2.3
267.17410	3.3
269.15393	2.8
270.12515	2.5
271.13284	11.9
271.16919	10.3
277.15732	1.2
279.89050	0.8
283.16995	2.6
285.18344	7.2
287.16422	0.9
289.14331	5.5
289.17212	0.7
295.16913	6.2
313.14563	0.9
313.17978	18.7
331.15744	1.2
331.18997	37.1
349.16348	32.7
349.20129	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01880	6.0
55.05515	22.4
57.03434	14.6
57.24815	2.7
67.05506	21.9
68.24339	2.6
68.95535	2.6
69.07063	20.5
69.99400	2.9
79.05490	47.3
81.03410	6.3
81.07066	29.1
83.04981	15.3
83.08601	4.7
85.06507	3.2
91.05467	25.5
93.07034	45.9
95.04971	5.8
95.08603	26.1
97.06524	6.0
97.10108	3.7
99.83631	3.5
105.07005	35.8
107.04947	25.7
107.08578	30.0
109.06454	3.5
109.10150	17.3
117.06961	13.1
119.08598	22.3
121.10136	15.2
123.08039	17.8
125.09641	4.7
131.08528	17.1
133.10110	21.2
135.11620	5.4
145.10081	4.7
147.11685	7.8
149.09605	25.1
159.11650	13.4
179.14291	16.6
202.18118	3.2
275.20050	38.7
349.23727	100.0
349.27438	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31466	1.9
55.01865	10.3
55.05516	21.8
57.03430	13.1
63.02429	2.1
67.05502	36.3
69.07066	10.8
79.05498	40.2
81.07060	32.5
83.04968	8.6
83.08620	8.7
85.06525	2.3
91.05477	32.5
93.07043	39.4
95.04959	3.6
95.08615	16.0
96.34444	2.2
97.06532	10.0
97.10149	2.7
105.07021	31.4
107.04942	10.8
107.08592	33.6
109.06535	2.4
109.10125	15.9
117.06968	11.0
119.08579	32.1
121.06494	3.1
121.10164	15.8
123.08060	8.3
123.11677	2.9
125.09615	3.1
131.08553	17.0
133.10109	29.7
135.08026	5.2
135.11656	9.5
145.10101	10.4
147.11684	17.0
149.09618	21.4
157.10080	2.5
159.11681	9.1
161.13272	3.6
173.13280	3.4
179.14311	4.4
257.18958	3.8
272.04208	2.6
274.14709	2.0
275.20059	47.9
349.23703	100.0
349.26889	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	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.69810	1.9
55.05512	6.0
55.25748	2.0
57.03442	21.4
67.05496	13.8
68.03345	2.2
68.42553	2.2
69.07074	11.8
71.04970	2.6
74.62835	2.3
79.05480	20.4
81.07066	20.2
83.08610	4.1
85.06566	3.1
91.05450	24.1
93.07043	26.1
95.04990	2.9
95.08600	15.8
97.06533	2.6
105.07007	30.1
107.04895	2.5
107.08598	19.4
109.06503	4.5
109.10149	4.6
113.40665	2.4
117.06998	11.9
119.08561	33.8
121.06488	4.2
121.10153	4.7
129.07007	5.6
131.08546	21.9
133.10110	19.6
135.08064	4.7
143.08572	15.1
145.10135	32.1
147.11671	20.0
149.09619	2.8
157.10135	12.4
159.07957	3.5
159.11674	24.6
161.13286	11.2
169.10133	10.0
171.11720	3.8
173.13277	11.9
175.14870	3.5
177.64438	2.9
182.96045	2.6
185.13248	19.9
197.13264	3.2
203.14328	4.2
219.17490	5.6
225.12668	4.1
229.19551	4.2
239.17891	3.3
257.18951	21.7
275.19913	21.8
277.70218	2.4
289.14307	2.9
331.22729	4.5
349.16434	13.1
349.20081	6.2
349.23691	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
55.05516	16.2
57.03422	12.0
57.39785	1.8
67.05505	27.0
69.07053	8.1
76.62033	2.1
79.05502	44.2
80.43134	2.0
81.07064	21.9
83.04964	4.8
83.08602	8.8
91.05483	21.5
93.07044	19.8
95.04958	2.6
95.08593	12.3
97.06521	2.7
97.10142	13.4
97.39587	2.3
105.07035	28.1
107.04974	8.2
107.08588	59.8
109.06521	2.2
109.10157	5.2
117.06984	10.1
119.08572	14.6
121.10101	5.6
125.09602	12.4
129.06972	2.8
131.08553	16.2
131.43701	2.1
133.10104	22.3
135.11710	3.3
143.08571	5.1
144.55504	2.4
145.10109	43.9
147.11684	19.5
149.09605	10.7
159.11684	13.5
161.09657	2.3
163.11176	3.2
171.11646	10.9
189.11269	3.0
197.13350	3.0
229.05185	5.5
257.18973	24.9
267.06625	3.7
275.20047	35.8
285.07690	19.6
331.22525	4.0
343.44394	2.5
349.20358	3.9
349.23694	100.0
349.27246	4.8
357.61234	2.3
371.49377	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.54420	1.3
50.70344	1.3
55.01875	2.0
55.05500	7.1
57.03436	11.5
67.05512	22.9
69.07076	13.3
76.39126	1.3
79.05503	18.5
81.03394	1.6
81.07056	51.3
83.08617	3.1
91.05473	16.9
93.07037	26.9
95.04956	3.3
95.08602	21.3
97.06514	3.1
101.78320	1.7
105.07032	21.4
107.08612	15.0
109.06528	16.4
109.10168	11.6
117.06998	7.3
119.08566	23.9
119.09946	1.5
121.06511	1.7
121.10125	13.2
123.08067	2.9
129.06964	1.9
131.08609	12.7
133.10129	18.3
135.08035	1.8
135.11681	6.9
145.10109	16.8
147.11661	10.8
149.09541	2.6
149.13266	2.1
157.10181	2.9
159.11674	12.8
161.13295	2.0
163.11179	2.2
171.11687	2.8
173.13268	2.2
179.14333	3.9
187.14572	1.6
223.05411	1.8
257.18933	10.3
275.20059	21.5
349.20230	4.9
349.23700	100.0
349.27274	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
55.01885	1.2
55.05517	9.2
57.03423	7.7
57.60543	1.1
60.73199	1.1
67.05508	23.4
69.07072	10.9
69.52140	0.9
79.05497	18.7
81.07061	47.4
83.04972	2.7
83.08614	5.4
85.06541	1.4
91.05479	18.0
93.07036	19.5
95.08610	20.1
96.80274	1.0
97.06490	4.5
105.07029	24.8
107.04958	2.7
107.08603	18.7
109.06512	11.9
109.10156	9.8
113.73331	1.2
117.07009	9.4
119.08577	25.6
121.06538	1.7
121.10138	9.1
123.08100	2.3
123.11731	2.0
125.09623	1.7
131.08571	18.3
133.10141	26.6
135.08067	1.2
135.11639	4.7
137.09602	1.4
143.08537	2.5
145.10123	15.5
147.11659	10.2
149.09624	4.8
149.13258	4.5
155.08557	1.8
157.10126	1.8
159.11694	12.9
159.12830	1.2
161.13254	4.5
163.11171	2.8
165.12714	1.6
169.10095	2.3
171.11678	1.6
173.13222	4.7
175.14830	1.5
197.13196	2.4
229.19467	1.7
239.17931	2.6
247.20645	1.7
257.18961	9.2
275.20047	23.8
331.15729	1.1
331.22739	1.3
349.23727	100.0
359.61453	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	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.80274	1.7
55.01887	2.1
55.05504	10.3
55.75266	1.9
57.03444	5.3
57.24834	1.9
67.05514	21.8
69.07050	10.5
70.00931	1.9
71.04993	3.1
76.98350	1.9
79.05497	19.3
81.07053	38.0
91.05497	16.8
93.07054	25.0
95.08608	21.1
97.06564	3.4
99.08041	2.6
105.07027	34.7
107.04916	2.4
107.08598	18.6
109.06502	4.6
109.10140	4.7
117.06966	4.7
119.08598	21.3
121.10117	13.2
123.08048	3.3
123.11721	3.3
131.08572	14.3
133.10130	22.5
135.11708	5.0
137.09634	3.3
145.10095	18.6
147.11681	12.2
149.09613	3.7
151.11180	2.5
152.47513	2.3
157.10069	2.6
159.11687	12.1
163.11215	3.8
171.11638	2.7
173.13208	3.4
247.20544	2.7
254.43829	2.1
257.18939	9.8
275.20065	27.5
293.21225	2.5
309.29318	2.0
349.20026	7.1
349.23676	100.0
349.27335	7.5
373.19299	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.33130	1.6
53.03942	2.7
54.69342	1.7
55.01873	9.4
55.05516	11.6
57.03429	8.7
60.35294	2.5
63.81903	2.1
67.05515	34.0
69.07072	35.9
79.05495	22.3
81.03418	19.8
81.07062	47.4
83.04967	4.7
83.08617	9.2
88.83580	2.1
89.39102	1.8
91.05488	30.3
93.07045	29.7
95.01313	14.0
95.04954	9.2
95.08595	28.8
96.26312	2.0
97.06516	12.8
102.58126	2.3
103.05406	2.4
105.07029	45.2
107.04967	19.7
107.08601	15.3
109.06515	4.7
109.10149	5.0
117.07003	13.0
119.08569	30.6
120.29581	2.0
121.10133	3.7
123.08057	8.4
131.08536	18.9
133.10152	34.3
135.11687	9.8
145.10146	15.7
147.11699	9.5
149.09619	4.5
159.11653	11.8
177.12749	5.0
179.14311	11.1
187.11081	3.0
195.14032	2.4
205.12422	2.7
209.77859	2.5
239.18074	2.4
257.19101	3.4
275.20053	49.0
349.23755	100.0
349.27502	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.99540	0.7
55.05514	1.5
57.03432	1.3
67.05510	5.5
69.07072	8.1
71.04989	1.2
73.07869	0.7
77.64744	0.8
79.05480	4.3
81.07054	10.5
81.75255	0.6
83.08599	3.8
91.05453	4.0
92.17872	1.8
93.07034	7.6
95.08621	9.3
97.06530	3.0
97.10188	1.0
97.70145	0.7
105.07015	4.0
107.08609	6.6
109.06493	7.7
109.10119	4.3
111.08040	1.3
119.08546	7.2
121.10163	5.5
123.08057	54.4
123.11656	1.8
125.09650	1.3
131.08606	1.3
133.10100	3.7
135.08038	2.9
135.11674	1.9
137.09586	3.4
137.13213	0.8
145.10118	1.4
147.11649	3.2
149.09639	0.8
159.11713	3.3
161.13251	3.1
165.12711	1.1
173.13255	1.0
175.05911	0.8
179.14301	29.0
219.38782	0.9
275.20059	4.9
293.21066	20.1
303.26563	1.0
307.22681	0.9
331.26321	4.5
349.20056	3.1
349.23846	6.8
349.27356	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05500	1.9
57.07055	1.0
57.61412	0.8
60.70204	0.8
67.05496	3.4
67.75213	0.8
69.07062	6.5
77.81136	0.8
78.59138	0.9
79.05489	0.9
81.07045	5.5
83.08604	4.3
83.51401	0.8
91.05482	0.9
93.07038	3.7
95.08588	7.6
97.06531	1.3
99.08103	0.9
107.08573	5.6
109.06477	4.0
109.10152	4.4
119.08594	3.3
121.10091	5.1
121.59869	0.8
123.08061	59.4
123.11667	1.7
125.09603	1.3
133.10078	2.1
135.11644	1.7
137.09624	3.9
147.11649	2.2
149.13213	1.9
159.11691	1.3
161.13239	1.8
167.15440	1.1
171.80339	0.9
179.14258	8.5
233.18980	1.3
275.20157	4.0
293.21130	21.1
349.27380	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	350.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.5
61.02923	1.6
67.05507	4.0
69.03437	5.2
71.04961	0.6
71.07747	0.3
72.86238	0.3
73.02921	0.4
78.28884	0.3
81.03436	2.4
81.07062	0.3
82.06561	0.3
85.02905	16.6
87.04453	1.3
91.03950	0.5
97.02892	4.1
97.06516	0.5
99.02673	1.3
99.04458	0.5
103.03939	0.5
109.02907	2.4
126.03728	3.4
127.03896	2.9
127.72865	0.3
133.25932	0.3
138.03757	0.4
145.04970	1.2
153.05475	5.5
170.02696	9.8
171.06476	2.3
188.03758	100.0
188.12767	0.5
230.04846	2.9
237.92941	0.3
266.63507	0.3
309.02612	1.2
350.09055	10.3
361.37997	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	350.2324
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
51.79457	1.2
53.15186	1.1
54.67294	1.2
55.05500	6.0
67.05496	6.8
69.07056	2.7
79.05504	8.1
81.07063	12.8
83.08620	5.9
83.09571	1.1
87.12731	1.0
91.05462	2.3
93.07043	8.6
95.04940	1.4
95.08582	2.5
96.04489	2.2
96.52437	1.1
97.10162	15.7
105.07001	5.0
107.04957	1.8
107.08605	8.5
109.10135	1.7
110.09663	2.5
114.45237	1.3
117.06999	5.0
119.08602	8.8
121.10145	7.2
122.09670	2.7
125.09674	11.3
131.08551	5.0
135.08032	2.1
138.12823	9.7
143.08592	1.4
145.10091	6.7
147.08034	5.4
152.10681	5.8
157.10092	1.6
162.12767	2.3
163.11205	2.0
169.93593	1.2
171.11674	1.3
180.13875	4.8
204.13812	1.6
205.12265	1.5
208.13275	10.1
222.14839	2.4
223.13326	10.9
226.14497	1.7
271.95609	1.2
272.20139	1.7
273.18503	8.6
290.21091	10.6
291.19485	14.7
308.22217	6.1
332.22263	5.6
350.23303	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	350.3054
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
50.63387	0.7
55.05503	4.5
57.12058	0.8
66.69432	0.8
67.05505	8.3
67.19467	0.9
69.07072	10.8
70.02927	4.5
70.06582	3.9
78.24001	0.9
79.05488	1.2
81.07059	11.2
83.08598	6.1
86.06051	1.8
88.07630	100.0
90.10388	0.9
91.05461	1.7
93.07040	1.3
94.42883	1.1
95.08600	10.2
97.10146	3.3
102.66140	0.8
105.07021	0.9
107.08616	1.0
109.10150	5.7
114.05516	11.8
116.62088	0.9
121.10121	1.3
123.11715	1.6
156.10210	3.9
170.11755	1.7
179.14326	1.8
180.14632	2.0
350.30588	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38641	4.6
52.35181	4.6
53.01830	6.6
53.53382	5.2
56.96573	11.9
64.66631	6.2
73.91953	5.7
81.44373	6.3
98.97572	34.5
124.99126	45.0
143.00148	46.6
151.83589	5.7
152.98613	9.0
161.01155	7.0
169.01607	9.3
170.99651	32.3
185.01279	48.3
189.00735	25.8
203.02280	23.9
213.00644	14.6
231.01689	43.0
249.02841	85.1
250.03072	6.8
267.04031	14.4
268.04355	5.9
291.03802	100.0
292.04211	24.1
309.04861	97.3
309.07764	6.8
310.05292	11.4
337.78818	6.1
351.02591	6.9
351.07098	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90865	1.0
96.15929	0.9
158.41185	1.0
267.41980	1.1
351.06824	100.0
351.10236	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33654	1.0
69.72288	0.9
111.63599	1.0
115.95348	1.0
124.94875	1.1
235.06757	1.7
251.41331	1.1
339.78619	1.1
351.06857	100.0
351.12317	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02545	0.9
51.15076	1.1
67.35879	1.1
69.22903	1.4
91.19245	1.1
96.45949	1.2
149.73590	1.2
194.12141	1.2
232.19087	1.2
251.04404	1.3
322.65390	1.3
351.06839	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	351.1261
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
53.44503	0.4
69.79608	0.5
78.07561	0.4
97.31575	0.4
98.14359	0.5
107.58966	0.5
123.32603	0.6
133.03471	0.6
144.75826	0.5
153.04016	0.7
157.03500	0.5
160.24747	0.6
171.04994	3.4
186.95720	0.6
189.07454	0.8
207.07123	1.1
217.05481	0.7
219.34200	0.5
235.06645	5.2
249.08141	0.7
253.07669	3.9
261.08203	0.9
265.00635	0.5
279.09384	0.6
285.07867	0.6
289.07605	4.3
302.83578	0.5
307.09079	0.6
333.06625	2.3
351.07126	15.3
351.12567	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	351.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56707	0.7
57.26856	0.7
63.37648	0.7
71.05000	1.1
73.02915	1.1
79.05503	0.9
81.07037	0.9
82.31953	0.9
83.08584	0.9
93.07002	0.8
94.10279	0.7
95.08629	0.9
102.17383	0.8
102.18037	0.8
105.07038	1.5
107.08580	1.7
119.08582	1.5
121.10140	1.9
131.08580	3.4
133.10121	1.6
135.08104	1.2
135.11633	1.2
137.05994	0.8
143.08492	1.2
147.11661	1.3
149.09549	1.1
172.44810	0.9
189.09123	1.9
203.10666	3.4
219.10161	3.5
229.12091	0.9
229.15909	1.0
237.16505	0.8
238.16504	0.9
238.35017	0.9
299.35767	0.8
315.19553	2.9
333.20352	6.0
351.14127	100.0
351.21024	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	351.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19706	0.9
55.12068	0.9
59.04999	1.2
69.03418	1.7
71.04991	2.7
93.07035	1.3
97.06548	1.3
105.07023	1.8
118.20444	1.1
119.08535	4.4
133.10147	5.0
143.08582	2.0
145.10147	1.8
147.08076	2.0
151.66025	1.1
155.24600	1.1
157.10124	7.4
161.09610	7.5
169.10126	4.7
171.08049	1.5
171.11659	1.8
175.11203	1.1
181.10130	2.1
183.11630	2.1
185.09712	1.7
187.11154	1.8
189.09169	1.9
198.14009	1.2
199.11188	6.5
201.09166	1.7
203.10670	1.4
207.10185	1.9
211.14737	2.2
213.09032	2.3
223.14778	7.2
229.08649	1.5
231.10143	8.8
241.15900	9.8
245.11864	1.5
249.11162	2.4
259.16904	7.4
269.15338	6.2
275.12851	2.7
287.16440	6.9
305.17435	6.9
315.16016	4.6
333.17200	9.0
333.20523	1.4
351.14145	100.0
351.18091	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1798
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
50.40990	0.9
60.45106	1.0
103.01523	1.2
104.57983	1.1
107.08590	1.3
126.94075	1.4
132.29575	1.1
143.08539	1.6
169.10141	2.4
171.11543	1.4
173.09644	2.1
175.03885	1.6
175.11195	1.1
183.11705	2.8
185.09602	5.6
199.11328	1.5
213.09109	1.6
215.10641	1.3
223.14720	2.1
227.10767	2.4
243.10126	2.4
247.09758	2.0
269.15308	1.7
287.16580	2.1
305.17438	5.0
315.15900	2.1
333.16925	9.8
351.17999	100.0
351.21558	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	351.1804
Annotation	Gibberellin A82
Peak:m/z	Relative Intensity
52.77600	0.9
54.59897	1.1
59.23777	1.0
65.73808	1.0
71.04977	7.9
81.07026	1.4
82.33315	1.2
83.04991	2.0
83.96510	1.3
95.08607	4.5
96.95103	1.1
97.06532	1.4
97.49385	1.3
105.03365	5.8
105.06969	2.3
107.08582	2.8
119.08515	2.6
121.02917	1.7
122.35215	1.2
123.04395	1.4
129.07039	1.7
131.08598	1.7
133.10094	2.1
135.08101	1.8
135.11754	1.5
137.09706	1.4
143.08540	2.8
145.10106	2.6
147.08083	1.6
149.09596	1.5
157.10118	14.6
159.11652	2.4
161.09616	1.9
169.10115	12.7
171.08046	2.5
171.11642	5.6
173.09654	2.1
177.09062	1.3
181.10126	7.5
183.11676	2.4
185.09624	5.1
187.11195	2.8
188.08327	2.4
189.01881	1.4
195.02841	2.1
197.09435	1.3
197.13327	2.4
198.10388	1.3
199.11171	9.8
199.14847	1.5
201.09048	1.5
203.10692	2.2
208.12485	2.3
210.48701	1.4
211.14876	4.9
213.09062	5.4
213.16302	1.4
215.10648	1.4
217.12201	2.1
223.14772	12.0
227.10680	1.7
227.14304	2.0
229.08498	1.8
231.10126	20.5
241.15840	19.9
245.11697	6.1
249.11276	8.6
251.14168	1.7
259.16916	16.7
263.12726	2.5
269.15311	12.7
287.16458	13.5
297.14960	2.2
297.18423	2.3
305.17456	8.5
315.15936	7.7
315.19296	2.2
333.16913	14.7
333.20593	6.3
347.37555	1.3
351.08783	8.9
351.13712	3.2
351.17996	100.0
351.21643	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	351.2166
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
60.23693	1.6
67.05493	12.3
69.07052	2.6
69.84409	1.7
71.56068	1.6
79.05483	12.0
80.28787	2.0
81.07058	7.0
91.05470	13.8
93.07045	22.4
95.04959	7.8
95.08599	7.8
105.03407	4.5
105.07028	23.9
107.08585	39.6
109.06528	8.6
109.10152	9.4
112.91385	2.1
117.07001	7.0
119.08564	18.0
121.06493	3.1
121.10133	17.0
123.04420	22.7
123.08071	4.4
123.11724	3.7
131.08537	3.9
133.06485	29.5
133.10098	25.6
135.08041	17.4
135.11685	11.7
137.09601	4.4
141.31082	1.8
143.08546	4.2
145.06470	2.8
145.10139	3.4
147.08060	8.9
149.09621	11.4
151.07555	4.3
151.11229	2.5
155.53995	2.1
157.10106	7.3
159.08087	3.5
159.11714	3.8
161.09698	4.2
163.07549	11.4
165.09064	3.4
169.10139	3.4
171.08012	2.6
171.11586	3.4
173.09599	2.6
175.11154	2.7
179.10634	3.0
183.11662	3.9
185.13318	2.6
187.11264	2.7
197.13240	3.7
199.11201	3.7
209.09613	2.5
209.13287	2.6
211.14719	2.7
225.12883	2.4
227.14235	2.5
239.14354	2.4
241.12119	2.4
257.15326	16.7
267.17487	3.5
275.16379	36.9
285.18420	14.4
297.18420	10.0
302.36237	2.2
315.19534	35.2
333.20575	100.0
351.17548	2.5
351.21652	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2165
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
52.30540	0.9
63.67232	1.2
75.10262	1.1
79.05477	2.1
81.07057	2.6
83.65106	1.1
92.49380	1.3
93.07027	4.8
95.04964	6.3
95.08595	5.8
97.06525	34.3
105.07015	2.9
107.08568	7.4
109.06486	1.5
109.10134	9.8
112.69609	1.1
117.07016	1.2
117.63591	1.4
119.08559	12.4
121.10148	2.4
123.07994	2.7
123.11660	1.9
128.60684	1.2
129.07024	2.7
131.08562	6.1
133.10085	5.2
135.11647	1.6
137.09583	2.6
143.08566	13.2
145.10112	6.7
147.08032	4.8
147.11659	7.0
149.09633	2.4
151.07571	1.5
151.90854	1.1
153.09062	1.8
157.10059	2.0
159.11671	2.7
161.09593	5.3
169.10150	2.8
171.11662	1.9
175.11115	2.3
187.11116	2.3
192.87482	1.3
193.12161	2.0
199.14709	2.3
205.12189	2.4
217.15955	1.4
225.16411	2.5
227.17908	10.8
239.17969	1.7
241.19429	1.5
245.19052	11.5
251.17964	7.2
257.18961	6.2
269.18936	14.4
273.18491	1.6
275.19858	6.1
287.20068	9.8
291.19717	1.4
297.18558	5.9
303.19601	6.7
305.20969	6.7
315.19464	2.7
333.20602	10.1
337.03421	1.5
351.21649	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	351.2166
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
56.49077	0.8
65.88803	0.8
67.05505	0.9
69.07092	0.9
81.07055	4.5
91.05457	1.6
92.18481	3.1
93.07047	7.5
95.04954	2.1
95.08607	8.6
97.06516	1.1
97.10165	1.6
105.07020	5.3
107.08579	7.1
109.10158	11.4
111.08082	1.0
116.54555	0.9
119.08566	15.0
121.06506	1.8
121.10134	4.8
123.08093	1.4
123.11678	1.6
131.08560	4.2
133.10139	6.5
135.08101	1.9
137.09631	4.2
143.08540	8.6
145.10115	6.7
147.08060	5.0
147.11685	5.4
149.09665	1.7
151.11287	1.0
153.09135	3.6
157.10110	3.5
159.08089	1.1
159.11778	1.9
161.09645	7.1
161.13203	2.0
163.11198	4.7
169.10153	1.8
171.11700	2.1
173.09602	4.0
175.11194	3.7
177.12737	1.6
181.10033	1.1
182.61627	0.9
183.11732	1.8
185.13191	1.2
187.11185	4.5
193.12268	1.8
195.11691	1.4
197.13290	2.1
199.14803	3.6
201.12837	1.0
205.12276	3.9
213.12718	4.2
217.12259	1.5
217.15900	4.2
225.16270	1.3
227.17961	8.5
229.19379	1.0
239.18019	2.1
241.19533	3.6
243.17462	4.4
245.18964	12.6
247.20549	1.3
251.17958	7.6
257.19031	7.8
269.18970	14.4
271.17026	1.3
273.18539	3.2
275.20163	3.6
287.20065	15.7
297.18573	3.5
303.19510	5.1
305.21271	7.3
315.19452	6.8
321.20557	1.3
333.20639	8.8
351.21692	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	351.2165
Annotation	Rhodomollein XIX
Peak:m/z	Relative Intensity
55.05498	5.8
56.70072	4.6
58.52429	5.7
67.05517	9.1
69.03394	6.8
69.07058	10.1
79.05490	6.9
81.07037	34.5
91.05479	30.4
93.07026	36.7
95.04948	7.6
95.08602	28.4
105.07043	46.4
107.08569	48.1
109.06495	7.8
109.10152	8.5
115.84393	7.5
117.06957	8.8
119.08576	53.2
121.06512	11.4
121.10143	35.7
123.08043	9.9
129.06969	11.4
131.08606	48.9
133.10150	65.1
135.08063	9.2
135.11684	25.3
143.08572	66.2
145.06606	6.4
145.10149	66.7
147.08041	8.2
147.11710	13.9
149.09587	12.2
155.08537	32.1
156.09358	7.1
157.10109	49.1
158.56689	6.0
159.07965	20.6
159.11691	33.5
161.05879	6.8
161.09593	11.6
165.06966	8.9
167.08575	14.8
169.10104	31.2
171.08075	7.3
171.11697	39.7
173.09570	10.9
173.13321	7.9
175.11168	8.3
181.10057	43.4
183.11673	37.8
185.09605	12.6
185.13287	10.4
193.10158	7.7
194.10918	7.9
195.11725	41.9
197.13269	11.2
199.11240	25.1
199.14812	10.7
199.30441	6.5
201.12747	8.2
207.11633	12.4
208.12498	11.7
209.13242	58.3
211.14772	13.2
213.12730	11.5
219.11685	13.0
221.13275	12.0
222.14026	7.4
223.14796	9.5
227.14334	14.3
229.15903	10.0
231.11571	7.0
237.12674	9.8
237.16405	26.8
239.18048	6.9
241.19426	8.6
251.17932	43.4
253.15794	8.1
255.17506	26.6
261.16373	12.1
266.51993	6.4
269.19095	28.7
271.16901	30.6
279.17368	50.9
287.20105	9.6
297.18491	60.1
315.19537	72.1
333.20566	37.6
351.17896	7.5
351.21735	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	351.2166
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
53.60527	0.5
55.01861	1.0
55.05515	1.2
57.03429	2.8
57.07065	1.0
67.05492	3.9
69.07058	3.0
71.08616	0.8
74.59963	0.6
79.05502	3.0
81.07059	10.9
83.04976	0.9
83.08612	2.7
93.07027	3.8
95.08590	4.2
105.07017	1.4
107.08585	2.9
109.06508	5.1
109.10133	2.5
109.65218	0.6
111.04433	14.6
111.08024	0.7
119.08557	3.8
121.10116	3.6
123.08067	0.7
123.11732	0.7
125.05983	4.3
131.08519	1.3
133.10100	3.5
135.08070	1.3
135.11700	4.6
137.05977	100.0
137.13220	0.7
147.08054	1.5
147.11670	5.9
149.09584	2.5
149.13264	0.7
151.07506	1.3
151.11237	0.7
153.86401	0.7
157.10153	1.3
159.11670	1.1
161.09563	5.7
161.13261	1.4
163.11189	3.0
165.09053	2.5
173.13390	0.8
175.11137	4.2
177.12923	0.6
179.10652	1.2
203.18011	5.3
213.16377	2.5
221.18919	0.9
231.17436	3.3
240.01643	0.7
241.15794	0.7
249.18472	4.2
259.20416	0.7
277.17950	34.1
295.18997	3.3
350.32593	0.9
351.15857	2.8
351.21628	30.9
351.25229	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.7
57.03436	3.0
57.07074	2.7
58.86862	1.5
66.60188	1.4
67.05511	23.6
69.07051	9.4
71.04971	2.5
79.05499	24.2
81.07058	36.1
83.08601	7.7
91.05476	21.1
93.07042	48.1
95.08599	26.1
105.07032	20.7
105.20303	1.6
107.07941	2.3
107.08595	36.4
109.10142	11.0
111.04440	1.8
117.07030	3.5
119.07780	1.8
119.08579	35.2
119.24522	1.6
121.10149	27.7
129.06903	5.9
131.08551	7.4
133.10127	35.7
135.11676	29.2
137.05963	34.6
143.08562	6.9
145.10150	12.5
147.11670	27.5
149.13281	14.4
157.10094	10.0
159.11667	12.1
161.09589	2.6
161.13232	24.1
163.14838	3.9
171.11673	8.8
173.13152	5.9
175.11206	2.0
175.14853	11.9
177.03775	1.9
185.13239	10.0
189.12846	1.7
199.14906	2.1
203.14297	1.9
213.16368	2.0
231.20941	2.6
241.19495	20.6
247.45728	1.7
259.20541	44.6
277.17938	12.9
277.21439	3.4
333.24255	9.6
351.21564	11.3
351.25287	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60384	1.3
55.05508	6.1
57.03441	2.1
57.07074	1.4
57.07348	1.5
67.05505	17.7
69.07050	9.2
72.49454	1.6
79.05497	16.7
81.07063	23.6
83.08590	3.5
85.06564	3.1
91.05476	19.8
93.07040	36.0
95.04955	1.7
95.08607	17.4
97.06526	2.0
99.08026	2.6
100.56526	1.7
105.07024	27.7
107.08587	27.9
109.10143	9.1
110.20486	1.8
111.08087	2.5
117.06976	6.0
119.08565	33.1
121.10136	21.8
122.12138	1.7
129.06972	3.1
131.08554	11.5
133.09212	1.8
133.10129	31.5
135.11693	20.0
139.34039	1.9
143.08551	2.8
145.10071	10.8
147.11678	29.3
149.13271	11.7
157.10143	7.6
159.11639	14.7
161.13206	20.8
163.14795	2.5
166.09445	1.7
171.11650	8.2
173.13235	3.0
175.14835	9.0
185.13222	9.4
199.14789	2.8
213.16364	1.7
215.88736	1.8
231.21034	6.6
241.19504	13.8
259.20560	51.9
351.21716	4.1
351.25272	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	351.253
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
56.94287	0.2
57.07083	5.0
57.83545	0.2
67.05495	0.5
69.07041	0.3
81.07027	1.0
84.98729	0.2
85.06552	3.1
95.04967	3.4
95.08572	1.0
107.08559	0.3
121.10128	0.4
137.05983	2.0
145.10123	0.3
179.10660	1.7
179.30670	0.2
212.59167	0.2
228.76457	0.3
249.18483	100.0
296.25281	0.3
333.24213	2.3
333.27673	0.4
351.25180	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45397	1.8
50.64456	1.9
55.05524	3.4
56.86303	2.0
57.03436	2.9
57.21964	2.2
65.02723	1.9
67.05499	22.4
69.07070	8.5
78.28939	1.9
79.05487	23.6
80.88856	2.2
81.07056	25.9
83.08623	2.5
86.55031	2.0
91.05481	19.7
93.07040	47.2
95.08607	21.3
97.06516	2.1
99.08083	2.8
105.07027	26.3
107.08579	31.5
109.10160	4.8
109.76332	2.2
117.06989	8.4
119.08568	25.3
121.10124	28.3
122.38721	2.2
129.06963	5.1
131.08539	10.8
133.04141	2.5
133.10146	21.9
135.11691	33.4
143.08572	3.0
145.10088	10.4
147.11676	30.3
149.13252	18.9
157.10155	3.8
159.11691	12.7
161.13248	21.0
163.14824	3.4
171.11700	10.3
173.13235	4.2
175.14819	5.0
185.13272	9.4
217.19496	3.9
234.26569	2.5
241.19453	16.4
259.20560	44.8
277.21582	4.5
333.24289	4.1
351.25253	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	351.253
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
55.05502	3.7
55.07090	2.1
67.05506	15.3
69.07056	5.3
79.05499	24.2
81.07062	21.7
83.08612	4.0
91.05472	13.7
93.07049	35.6
95.08595	18.7
97.06509	2.2
100.68707	2.3
105.07002	23.5
107.08586	34.0
109.10146	5.4
117.07019	5.2
119.08544	21.7
121.10157	19.7
131.08574	10.3
133.10133	23.2
135.11702	24.8
145.10071	4.4
147.11673	21.2
149.13226	16.2
159.11655	10.8
161.13268	14.2
171.11751	8.8
173.13269	4.7
175.14799	4.1
181.50325	2.2
185.13286	2.9
218.81432	2.4
229.55365	2.2
241.19502	14.2
244.60339	2.6
249.39294	2.6
259.20520	41.4
266.53958	2.2
277.21600	3.5
281.18109	2.2
333.24194	3.0
351.25247	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
67.05507	20.9
67.23560	1.8
69.07053	8.5
75.33480	1.6
79.05502	27.3
81.07056	30.8
82.59354	1.9
83.08611	2.1
91.05479	24.0
93.07043	50.7
95.08596	21.8
105.07024	34.3
107.08592	31.4
109.10114	7.9
117.07007	7.6
119.08568	35.5
121.10130	30.9
131.07683	2.1
131.08519	18.1
133.10117	36.4
135.11685	26.4
143.08519	7.8
145.10121	14.7
147.11673	38.2
149.13219	17.1
157.10109	9.6
159.11696	13.4
161.13239	22.7
163.14804	1.9
171.11609	12.5
173.13194	7.4
175.14787	7.9
185.13229	9.6
187.14958	3.5
199.14717	3.7
213.16368	2.7
231.21054	2.3
241.19490	17.0
259.18091	3.2
259.20560	51.7
351.25241	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38712	1.9
54.05963	2.2
55.05505	10.3
57.03437	11.9
57.42791	2.2
67.05510	34.4
69.07056	12.9
71.08633	64.8
79.05495	30.4
81.03424	4.2
81.07050	26.8
83.04978	5.5
83.08591	4.2
91.05448	19.7
93.07056	48.0
95.08604	24.8
97.06535	4.6
97.10104	3.4
99.08098	22.1
105.07033	15.1
107.04912	3.3
107.08593	25.3
109.10165	15.3
117.07006	3.5
119.08588	16.9
121.10110	24.6
133.10121	10.3
135.11708	19.8
137.09653	2.8
141.09172	2.9
145.09998	2.9
149.13242	3.3
151.11191	22.2
161.13271	14.1
163.11177	4.0
175.01939	2.8
179.14301	55.7
182.63043	2.6
235.17041	3.2
259.20554	2.8
277.21628	40.4
351.25302	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	352.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66608	0.6
51.10703	0.7
51.59772	0.6
53.03942	1.8
55.01878	1.1
55.39213	0.6
57.03438	0.9
69.03433	14.4
69.07066	0.8
71.04971	3.2
73.02910	1.5
78.03452	9.1
79.35259	0.7
80.14011	0.8
81.03421	30.1
85.02899	10.1
97.02876	7.0
99.04457	5.8
104.92272	0.8
106.02914	89.2
109.02879	24.1
112.17971	0.8
124.03947	100.0
127.03901	12.0
155.10660	1.7
173.11705	1.6
219.07669	0.9
232.77914	0.8
250.07074	33.1
268.08136	23.6
341.05536	0.8
352.13870	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1613
Annotation	Cis-Zeatin-riboside
Peak:m/z	Relative Intensity
51.61919	0.2
52.68027	0.2
57.03425	1.1
69.03432	0.4
81.03393	0.4
83.95168	0.3
85.02892	1.5
85.06541	3.6
90.44298	0.3
92.17883	0.3
98.74799	0.3
103.97196	0.3
117.65741	0.3
126.12787	0.4
136.06177	17.3
144.13817	3.0
172.13336	0.3
175.58777	0.3
176.67227	0.3
187.55711	0.4
188.03760	0.3
190.03345	1.6
190.14355	2.8
202.10817	0.6
220.11914	100.0
241.87283	0.3
274.07492	0.3
352.16113	30.1
366.54346	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	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44980	0.3
70.98366	0.3
76.70629	0.3
86.09692	0.6
109.06493	0.5
111.18900	0.4
113.14725	0.4
136.06163	0.4
136.07463	0.7
140.36852	0.4
173.08093	0.7
186.55312	0.4
190.08585	1.7
201.83844	0.3
205.67532	0.3
216.12558	0.6
217.13353	4.1
220.11884	1.6
227.11908	2.7
230.10661	0.6
232.53090	0.4
244.12090	0.4
245.12837	11.2
255.11267	0.5
255.46153	0.3
263.13892	12.8
273.12134	2.5
291.13370	100.0
324.81427	0.4
352.09586	1.5
352.15042	0.9
352.18665	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	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
58.06601	6.1
61.02910	3.2
67.05003	0.6
69.03432	6.1
69.07057	2.6
70.06577	0.8
72.28890	0.6
73.02917	2.1
73.85106	0.6
74.30106	0.7
75.90911	0.5
81.03397	3.3
82.76619	0.6
84.08147	0.6
85.02902	21.0
86.09698	6.4
87.04433	1.2
91.03937	0.7
97.02869	8.0
99.04427	2.4
102.41116	0.5
106.04867	0.5
109.02878	4.8
126.12793	27.1
127.03916	5.9
144.13835	100.0
145.04977	1.4
172.13315	8.5
190.14378	96.8
199.54268	0.6
231.32997	0.7
272.92377	0.6
288.26495	0.6
289.90436	0.7
311.02570	0.7
334.18881	0.7
352.10211	1.0
352.19629	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01450	0.8
55.01868	1.6
55.05522	9.7
67.05501	9.3
69.03407	0.9
69.07076	2.2
69.82790	0.9
71.08624	1.3
74.39746	0.9
76.16565	1.0
79.05475	5.3
81.07054	10.3
83.04966	1.5
83.08628	10.2
84.08132	1.6
91.05486	1.7
93.07038	6.9
95.04959	11.6
95.08594	5.3
97.06562	1.2
97.10166	12.6
99.89019	1.1
105.06972	1.8
107.04916	3.8
107.08582	9.2
108.08141	1.6
109.06497	1.9
109.10159	3.9
110.06039	1.0
111.08083	2.3
117.06976	1.3
119.08567	1.6
121.06534	1.4
121.10135	1.5
123.08076	1.0
123.11580	1.0
124.11226	1.3
125.09641	12.9
131.08517	1.0
133.10112	1.5
135.08058	1.4
135.11681	3.7
137.09613	2.0
138.12773	1.4
140.14333	16.4
145.10095	2.3
147.11801	1.2
147.48538	1.0
149.09622	2.2
154.12254	11.5
156.73050	1.1
163.11171	5.0
166.12259	1.5
177.12930	1.1
179.12823	1.2
180.13818	1.7
182.15395	2.3
187.11171	1.0
197.69882	1.0
205.47720	0.9
208.13281	6.7
222.14929	2.2
223.13219	1.5
230.47664	1.1
247.02827	1.1
250.12602	1.0
264.23230	2.2
274.21561	7.7
275.20087	4.1
278.22025	1.3
292.22656	26.3
293.21155	18.3
310.23642	10.4
334.23727	3.8
352.24820	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	352.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10611	4.5
52.69908	4.0
53.03720	4.2
54.33884	4.1
55.05513	4.8
55.31525	4.2
56.44208	3.8
56.97500	4.1
57.07077	11.8
58.07479	4.2
59.99525	5.5
67.05508	51.1
67.45688	4.8
69.07068	19.8
71.08627	20.6
79.05505	5.3
79.78470	4.5
81.07069	89.6
83.08620	21.7
95.08612	65.1
97.10167	8.8
105.07028	8.0
107.08645	8.1
109.10170	45.3
119.08593	4.8
123.11686	27.4
131.10446	5.1
135.11748	6.1
137.25534	5.1
161.13347	7.3
193.12337	6.5
195.17570	6.2
213.58377	4.7
279.23148	5.6
335.29398	100.0
352.23822	39.9
352.32181	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.28422	1.1
63.56890	1.1
67.85380	1.2
90.25319	1.4
100.82515	1.4
123.62706	1.7
124.87142	1.4
133.79187	1.4
144.13835	5.9
185.04211	27.1
191.03088	2.6
234.10031	2.2
305.57669	1.5
353.08368	100.0
353.12225	58.1
370.30457	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	353.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47751	1.3
56.94645	1.5
60.88465	1.5
72.85505	1.7
111.89136	1.6
170.99835	1.9
172.97626	2.6
178.42940	1.9
190.98657	5.9
191.95151	1.5
208.99715	1.9
219.01788	1.9
232.99695	3.4
251.04303	2.0
263.00497	1.6
269.05609	2.8
273.69141	1.7
353.08490	100.0
359.20703	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	353.0846
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
51.88085	0.9
69.56854	1.4
71.37797	1.1
85.19273	1.1
232.99864	1.6
249.76535	1.2
353.08453	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	353.1019
Annotation	Negundin A
Peak:m/z	Relative Intensity
61.26387	0.8
62.85778	0.8
77.53141	0.9
85.79517	1.0
95.08594	1.4
121.10246	1.2
125.77622	0.9
197.13243	4.4
217.06439	1.6
234.06825	3.4
237.08974	1.6
245.05952	14.0
246.06865	1.6
247.07510	1.8
249.09081	6.3
262.06262	2.1
264.07574	1.5
265.08572	6.5
275.07077	3.5
277.08572	20.8
279.06296	1.2
292.07263	16.1
293.08087	9.4
294.08939	4.0
303.06479	5.6
305.07928	1.3
306.05429	1.3
307.09644	4.1
308.06949	1.3
309.11157	17.7
320.06705	2.2
321.07562	23.1
335.09174	10.7
338.07651	1.6
353.10187	100.0
353.20514	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	353.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12833	0.3
54.30427	0.3
56.96552	0.4
59.66163	0.3
62.47943	0.3
74.09718	2.5
85.40926	0.3
86.46113	0.3
98.97551	2.7
100.11253	4.3
104.10755	0.4
112.05249	1.2
112.89587	0.4
116.98610	0.7
118.08685	0.5
118.12292	0.4
130.06311	2.5
131.00139	2.3
149.01202	2.3
156.04202	100.0
161.01253	0.5
173.01210	0.5
176.96117	1.2
179.02277	0.5
191.02171	0.6
200.07741	0.4
201.07858	1.5
215.09407	0.4
218.98540	0.5
219.08862	0.6
221.03317	0.4
232.96309	1.4
236.03516	32.5
236.95665	0.4
250.97278	0.4
251.04422	1.7
262.09351	0.4
269.05408	1.3
274.97586	1.6
292.98441	2.2
293.02319	0.4
293.05435	2.8
293.12521	2.1
310.99304	0.4
311.06506	1.9
353.07706	3.2
353.11526	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	353.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38023	0.7
65.43509	0.7
70.25247	0.8
77.55847	0.8
91.88892	1.0
152.01733	0.9
160.07910	0.9
185.04208	3.8
201.46118	0.9
353.08356	9.5
353.12054	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	353.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19482	0.6
58.73100	0.7
59.06474	0.6
60.14976	0.6
63.50993	0.8
69.03394	0.8
105.85012	0.8
122.15025	0.8
137.06059	0.9
139.03966	1.0
144.13820	1.3
221.80344	0.9
234.10074	1.1
309.02094	0.7
353.08475	5.0
353.12070	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	353.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27549	0.3
51.12375	0.3
53.70631	0.3
56.83131	0.3
57.03431	0.4
85.93191	0.4
98.56980	0.4
99.37550	0.4
104.73028	0.4
120.75608	0.4
165.05438	0.6
212.21416	0.4
218.05627	0.6
246.05133	1.0
335.11594	2.6
335.15707	0.6
353.12054	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	353.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19482	0.6
58.73100	0.7
59.06474	0.6
60.14976	0.6
63.50993	0.8
69.03394	0.8
105.85012	0.8
122.15025	0.8
137.06059	0.9
139.03966	1.0
144.13820	1.3
221.80344	0.9
234.10074	1.1
309.02094	0.7
353.08475	5.0
353.12070	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	353.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88776	0.6
70.82389	0.7
75.48300	0.7
76.89895	0.6
87.41000	0.8
126.12787	1.0
134.25085	0.7
145.14200	1.2
180.44061	0.8
190.14455	1.4
191.14751	0.8
276.40659	0.9
353.12054	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75515	0.4
61.48097	0.4
91.05479	28.8
92.17906	0.7
102.93221	0.5
108.01258	1.9
120.63630	0.5
176.02069	0.5
183.03532	0.9
185.05116	4.1
197.55354	0.6
199.61273	0.6
241.30298	0.5
261.08282	1.0
262.09058	16.9
273.59106	0.6
294.08038	3.9
353.14505	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	353.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83864	0.3
53.53676	0.4
57.13657	0.4
59.00068	0.3
61.27521	0.3
61.78248	0.4
65.03925	0.4
68.91116	0.4
91.05479	35.5
95.84705	0.4
108.01252	1.0
154.13289	0.4
183.03575	2.8
184.04413	0.7
185.05132	4.2
261.08206	3.4
262.09045	17.8
293.07172	0.7
294.07996	5.2
353.14490	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05007	0.3
67.08535	0.3
87.87666	0.4
91.05474	30.3
92.17825	0.5
101.80547	0.4
108.01286	0.9
121.10085	0.5
174.91620	0.4
183.03589	2.1
185.05135	5.1
201.04652	0.4
261.08258	2.0
262.06213	0.7
262.09024	15.3
293.07257	0.8
294.08038	7.2
353.14459	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	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06921	0.4
51.71848	0.3
56.33981	0.4
63.20231	0.4
63.33161	0.4
88.33440	0.5
91.05482	36.7
108.01256	1.9
108.73103	0.4
111.94683	0.4
119.01223	0.5
183.03600	2.6
184.04352	0.9
185.05165	4.6
189.65132	0.4
261.08255	2.7
262.09070	18.5
293.07239	1.6
294.07968	5.8
353.14514	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	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.3
81.07052	0.4
91.05476	33.9
105.06920	0.4
108.01267	1.5
109.63109	0.4
121.58974	0.4
183.03526	2.9
185.05121	5.1
201.04675	0.6
243.00229	0.4
253.74437	0.4
261.08328	2.8
262.09052	15.5
265.15820	0.4
293.15625	0.4
294.08063	6.8
311.54062	0.4
353.14474	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	353.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70232	0.3
54.26489	0.3
60.47267	0.3
65.03947	0.5
91.05481	31.4
97.62352	0.4
108.01276	1.8
121.33311	0.5
139.52013	0.5
141.80414	0.4
164.35161	0.4
174.22102	0.4
179.68961	0.4
183.03691	3.3
183.05000	0.5
184.04254	0.8
185.05168	4.9
261.08273	2.7
262.09045	17.3
293.07196	0.6
294.08020	4.5
312.21130	0.6
349.95862	0.4
353.14517	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	353.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41629	0.8
53.56223	0.9
61.73545	0.7
75.70567	0.8
81.07056	0.9
85.02887	1.5
91.05431	1.0
93.07030	1.1
94.19786	0.9
95.08588	2.1
104.94154	0.9
107.08627	1.4
114.05515	1.5
138.05495	19.3
138.09125	9.1
153.05646	0.9
154.08652	1.2
156.11040	1.3
165.07658	1.1
166.03584	2.1
166.04985	39.2
183.21573	0.8
184.06023	18.2
191.06912	1.2
191.10725	1.2
191.14291	1.4
192.43083	1.0
210.11244	1.1
214.12283	5.0
242.11696	12.3
244.13391	2.0
246.05687	0.9
259.14371	14.1
260.12811	26.1
260.15558	1.1
262.14395	3.7
272.12741	4.3
273.16092	5.6
276.40826	1.0
287.13940	1.0
289.15363	8.7
290.13852	67.1
299.13806	1.7
305.14935	48.3
306.13403	2.1
307.16470	14.7
335.15994	34.2
336.14413	5.1
353.17020	100.0
370.78528	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	353.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96654	0.3
57.03427	0.7
61.02930	0.5
61.69993	0.4
67.05464	0.3
69.03421	1.7
71.04978	0.8
73.02939	0.5
73.22409	0.4
81.91531	0.4
86.49808	0.4
91.22292	0.4
99.04433	0.6
99.28751	0.4
101.07195	0.4
121.06490	0.4
138.05460	1.7
138.09109	0.6
147.04468	0.5
159.09178	3.6
166.04990	2.2
175.03941	1.6
184.05952	0.6
201.10225	36.7
207.06500	0.7
219.11284	16.6
242.11728	1.8
259.14359	0.7
260.12811	3.1
272.12823	0.5
283.68259	0.4
289.15179	0.5
290.13837	7.0
305.14902	2.3
307.16534	2.4
335.15976	22.7
336.14395	0.7
353.17023	100.0
378.89136	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	353.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91417	2.0
57.29691	2.1
67.05509	2.5
69.03419	2.5
75.56532	2.0
79.05494	3.7
82.33852	2.4
86.35836	2.3
91.05476	20.9
105.07041	30.8
107.08583	3.1
109.06474	3.2
119.08578	9.1
121.06432	5.1
123.07992	3.4
131.08565	18.5
133.06508	19.6
133.10141	4.4
135.08041	5.8
143.08566	15.4
145.10072	9.8
147.08051	4.6
151.07498	5.1
155.08546	5.2
157.10139	3.1
159.08041	9.9
161.09598	22.7
167.08611	2.7
169.09990	3.8
173.09598	12.7
179.08539	3.4
180.09290	3.0
181.10094	18.1
183.11650	2.8
185.09610	5.4
192.09322	3.7
193.10081	4.7
194.10904	3.2
195.07973	3.6
195.11662	18.8
197.09595	9.6
199.11160	3.7
205.10007	5.1
207.11702	11.8
208.12314	4.4
209.09616	14.1
209.13152	7.6
211.11115	5.7
217.10172	10.2
219.11598	3.8
220.95984	2.4
221.09552	3.2
221.13248	12.7
222.10417	4.1
222.14024	5.0
223.11179	18.6
223.14764	9.2
232.12416	14.6
233.09599	5.3
233.13312	4.8
235.11166	17.4
235.14854	12.6
236.12041	5.6
237.12680	10.6
237.16359	12.1
245.13307	2.8
247.14828	18.8
248.11821	4.1
249.12662	13.4
250.13461	15.3
251.10706	5.7
251.14229	17.4
260.11954	18.1
262.08957	8.7
263.10468	4.4
263.14343	18.4
265.15851	33.7
267.13763	3.4
275.14243	24.7
277.33188	2.8
278.13089	5.6
281.15341	9.8
282.69470	2.6
293.15369	59.5
311.16342	41.2
312.16544	3.7
353.14240	27.4
353.17892	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	353.1747
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
56.88085	1.5
59.05014	1.4
60.51592	1.3
67.04268	1.4
69.03451	1.4
69.07077	2.4
72.37167	1.3
86.33066	1.6
87.96556	1.6
90.41619	1.8
91.05502	2.4
93.07045	3.1
95.08630	3.0
97.06523	2.7
105.07018	6.0
107.08566	2.4
119.08581	2.8
131.08548	3.0
133.06444	2.8
135.08028	1.9
143.08566	2.3
143.48689	1.6
145.10133	3.7
147.08057	2.7
155.08501	2.4
157.10107	2.2
161.09624	3.2
167.08549	2.0
173.09662	2.6
180.09401	3.5
181.10112	6.4
183.08035	2.1
183.11743	2.5
185.09708	2.0
188.69022	1.6
192.83018	1.6
193.10136	2.6
195.08089	3.0
195.11716	11.0
197.09644	2.6
206.10939	2.5
207.11667	7.7
208.12434	1.8
209.09615	9.9
209.13234	3.4
210.10378	2.5
211.11142	2.6
213.09056	1.7
217.10083	3.8
218.10818	2.0
221.09695	2.0
221.13277	6.5
222.10416	1.9
223.11212	12.5
223.14703	5.5
232.12473	11.0
233.13286	2.9
235.11220	7.5
236.11908	3.7
237.12762	5.8
237.16400	3.6
245.09621	2.0
247.14822	8.1
249.09062	1.8
249.12720	6.0
250.13486	6.8
251.10748	3.4
251.14215	11.7
260.11957	3.7
263.10712	2.3
265.15887	25.0
267.13849	1.7
275.06888	2.9
275.14297	10.6
277.08508	1.5
278.12973	8.8
283.16794	3.2
293.15353	40.8
311.16370	31.3
321.07657	8.5
335.16541	3.1
353.17444	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	353.1746
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
55.05499	1.6
57.50804	1.6
65.24257	1.5
69.03429	2.0
69.07065	1.8
69.65945	1.5
78.20313	1.8
79.32873	1.9
92.17909	4.1
93.07045	3.2
105.07004	4.0
107.08591	1.9
117.07021	2.4
119.08572	4.3
121.06499	2.8
131.08543	3.4
133.10114	2.7
135.08044	2.6
141.06992	2.6
145.06454	3.8
145.10094	9.1
147.07986	2.5
154.88112	1.8
155.08496	2.7
157.10161	2.7
159.07996	2.9
161.09651	2.1
165.07045	2.3
169.10117	2.5
171.07974	2.8
171.11545	2.2
173.09641	3.5
179.08488	2.6
181.10109	8.8
183.11784	2.0
185.09612	2.3
192.09236	2.1
193.10112	7.9
194.10909	4.2
195.08061	3.1
195.11714	15.0
197.09602	9.0
199.11113	2.8
201.09073	2.0
206.10876	2.8
207.11676	14.5
208.08714	3.2
208.12526	6.5
208.24014	2.0
209.09560	7.4
209.13199	3.7
210.10251	2.8
211.11005	2.6
217.10123	8.1
218.11021	2.6
219.11592	3.2
220.12451	2.7
221.13240	11.4
223.11089	15.6
223.14816	8.8
224.11942	3.3
225.12636	2.9
227.10626	2.7
232.12434	9.7
233.09567	2.5
233.13235	2.9
235.11133	11.2
235.14896	2.2
236.11902	4.3
237.12733	4.0
237.16425	3.9
237.47589	1.9
239.10725	3.7
247.14796	13.2
249.12643	8.5
250.13528	9.4
251.10571	3.2
251.14407	8.7
260.11862	8.4
263.10971	2.1
263.14139	3.8
265.15860	26.9
267.13858	7.9
274.62613	1.8
275.14236	8.8
278.12903	8.1
283.16809	3.1
293.15329	59.5
307.16821	1.9
311.16428	31.8
323.16254	2.3
353.17435	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	353.1745
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
57.40073	1.2
77.82045	1.4
79.51546	1.4
91.05486	1.6
93.07014	3.4
105.07029	2.7
107.08595	2.7
131.08588	2.0
143.08640	1.5
145.06470	1.6
145.10104	1.9
152.32642	1.3
155.91400	1.5
159.08043	1.9
165.06902	2.1
167.08563	2.3
169.10083	1.9
171.08054	2.1
173.09546	2.1
181.10146	6.2
183.08072	1.5
185.09644	1.8
193.10233	1.7
195.08063	2.7
195.11668	9.9
197.09596	2.9
207.11688	2.3
208.12537	2.0
209.09604	6.3
210.10399	7.2
211.11229	5.4
221.09621	1.6
221.13220	3.6
222.10287	3.3
223.11140	12.3
223.14720	2.3
232.12468	2.2
235.11139	5.7
236.11934	3.0
237.12634	2.8
237.16298	3.1
247.14771	1.9
249.12733	1.9
250.13483	6.8
251.10442	1.6
251.14317	3.2
260.12024	2.9
263.14114	2.4
265.13300	2.7
265.15808	26.5
267.13782	3.1
275.14471	1.7
278.13025	1.9
283.16861	2.2
293.15384	20.5
311.16327	7.6
353.17444	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	353.1748
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
63.12833	1.4
68.75480	1.3
73.85675	1.5
83.04993	1.9
95.08611	1.9
96.25957	1.7
99.52416	1.6
105.07030	6.2
107.08614	2.0
109.06541	1.7
117.06998	2.6
131.08508	1.8
133.06505	3.6
135.08012	6.6
143.08492	2.4
145.10220	3.0
147.07979	1.7
155.08588	1.7
159.08035	3.8
161.09686	1.9
167.08461	1.8
169.10088	2.1
173.09573	2.6
179.08505	2.7
181.10094	7.1
183.08116	2.0
183.11647	1.8
185.09445	1.7
192.09331	1.9
193.10110	3.7
194.10861	2.6
195.11687	8.9
199.11140	2.3
207.11639	10.5
208.08855	2.3
209.09647	8.4
209.13220	2.7
211.11186	4.0
213.12732	2.3
221.09610	2.0
221.13173	6.4
222.10289	2.1
223.11295	11.7
223.14751	3.9
224.11998	1.9
227.10670	2.6
232.12479	8.3
233.13333	2.6
235.11125	8.4
235.14854	2.3
237.12701	3.6
237.16370	3.6
239.10588	1.7
239.14284	2.3
245.09753	1.8
247.14796	9.9
249.12738	6.8
250.13441	10.6
251.10670	2.5
251.14297	10.3
260.11841	7.6
263.10788	2.0
263.14178	3.7
265.15860	19.5
269.15253	2.6
275.14127	7.0
278.12943	3.7
283.16852	3.3
293.15338	43.3
297.52689	2.1
311.16391	37.6
312.16714	2.4
353.17456	100.0
370.78036	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	353.1747
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
51.04773	0.9
51.17714	0.9
52.08450	0.9
59.10306	0.9
67.05515	1.2
68.62243	1.2
69.03418	2.3
69.07041	1.9
81.07040	1.7
91.05458	2.1
92.18434	1.6
93.07034	1.8
95.04964	1.5
95.08572	2.0
97.06542	2.1
105.07043	7.4
107.08584	5.7
109.06434	1.3
119.04888	1.1
119.08558	2.8
121.06515	1.9
123.08051	2.6
128.06200	1.5
129.07001	2.1
131.08574	4.7
133.06496	2.5
133.10117	2.1
133.22701	1.1
135.08055	1.8
143.08559	2.2
145.06500	4.6
145.10136	2.6
147.08064	1.6
153.76421	1.2
155.08549	1.9
157.06480	1.3
157.10170	4.1
159.08026	6.2
161.09518	2.4
165.07027	1.6
167.08546	5.3
169.10120	4.8
171.08000	4.2
172.08946	1.4
173.09619	4.6
179.08513	2.4
180.09352	1.3
181.10133	8.8
183.08002	2.3
183.11679	4.3
185.09575	5.5
192.09343	2.8
193.10130	8.1
194.10880	2.2
195.08040	5.6
195.11699	14.4
197.09613	6.1
197.13287	1.8
199.07553	1.8
199.11200	1.7
203.08412	1.3
204.09283	1.4
205.10121	4.4
206.10881	2.1
207.11633	11.4
208.08873	2.1
208.12462	5.5
209.09615	7.3
209.13295	5.3
210.10271	2.3
211.11185	4.5
213.09082	1.3
213.12875	2.5
217.10196	5.8
218.10883	2.6
219.11626	1.5
220.08823	1.4
221.09575	2.0
221.13225	8.1
222.10431	2.3
223.11096	10.8
223.14827	7.4
225.09021	2.7
225.12740	4.8
231.11674	1.8
232.12463	8.9
233.09593	1.7
233.13252	2.2
234.10347	2.6
235.11099	8.8
235.14900	1.8
236.11984	4.2
237.08939	1.3
237.12733	4.0
237.16431	5.9
239.10677	1.4
239.14352	4.9
241.12233	1.8
245.09644	2.1
245.13141	1.3
247.14813	12.0
249.12746	6.1
250.13570	6.0
251.10733	5.0
251.14299	13.5
255.13736	1.4
260.11969	7.4
263.10587	2.2
263.14221	1.8
265.15842	24.1
267.13681	2.8
275.14316	10.8
278.13046	8.3
281.15414	1.8
283.17032	1.9
293.15350	53.4
296.14157	1.8
311.16385	37.1
325.18011	1.2
325.35355	1.3
353.17474	100.0
353.73257	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	353.1746
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
51.08561	1.2
57.11961	1.2
75.90845	1.2
91.05500	1.7
92.54356	1.5
93.07018	3.6
95.08598	1.6
105.07081	1.8
107.08604	2.9
123.51914	1.4
131.08595	1.5
133.10077	1.6
159.08090	2.0
161.09781	1.4
171.08058	3.3
180.09290	2.0
181.10066	2.1
195.08110	5.0
195.11778	10.0
197.09570	5.8
207.11676	2.6
209.09605	2.5
209.13217	2.5
210.10416	7.0
211.11200	3.4
216.25697	1.6
217.10138	1.9
221.09560	1.7
222.13916	2.3
223.11211	11.6
223.14662	1.9
227.86644	1.8
235.11101	3.5
236.08447	1.7
236.11986	5.9
237.12665	2.6
237.16478	2.0
239.14264	2.8
247.14822	3.0
250.13547	7.9
251.10446	1.6
260.11963	2.7
265.13193	2.2
265.15833	21.7
267.13818	2.1
283.16876	2.5
293.15298	21.0
293.62967	1.4
311.16315	3.5
353.17456	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	353.1746
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
55.58529	0.6
66.78465	0.8
67.05494	1.1
79.05504	1.2
81.07062	0.9
83.04943	1.0
83.08634	0.7
91.05495	1.5
93.07030	4.4
95.08586	3.0
105.07057	1.3
107.08580	3.2
119.08571	1.4
121.10140	1.5
131.08546	1.7
133.10110	1.0
143.08502	1.1
145.10149	1.8
150.41757	0.8
152.25348	0.9
155.08562	1.2
157.06482	1.7
157.10065	1.2
159.11656	1.0
165.06935	1.0
167.08571	1.2
169.06543	1.0
169.10098	1.4
171.08031	4.5
171.11600	0.9
173.09634	0.8
176.11623	0.7
179.08600	1.4
179.65991	0.8
181.10190	5.5
183.08052	1.8
183.11642	1.3
185.09547	1.2
192.58592	0.8
193.10146	1.6
194.10928	1.1
195.08067	3.9
195.11658	8.6
196.08885	1.3
197.09633	1.8
199.07614	1.1
206.10855	1.7
207.11638	1.9
208.08887	1.2
208.12511	3.2
209.09702	5.4
209.13260	1.8
210.10393	8.0
211.11160	4.6
218.10846	0.8
221.09557	1.5
221.13281	1.5
222.10384	3.9
222.13980	3.2
223.11174	10.1
223.14835	1.8
224.11853	1.1
232.12462	1.4
233.13249	1.2
235.11139	3.7
236.11894	4.1
237.09184	0.8
237.12743	3.2
237.16373	1.0
239.14395	3.4
241.12311	1.2
247.14844	3.1
249.12794	1.2
250.13495	7.9
251.10744	3.1
251.14256	4.2
260.12003	3.3
261.12796	3.0
263.10632	1.1
263.14420	0.9
265.15872	23.1
267.13779	1.5
275.14264	1.6
278.13095	1.6
283.16913	3.1
293.15344	19.9
307.16385	0.7
311.16397	4.8
323.12787	0.8
353.17468	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	353.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40073	1.2
77.82045	1.4
79.51546	1.4
91.05486	1.6
93.07014	3.4
105.07029	2.7
107.08595	2.7
131.08588	2.0
143.08640	1.5
145.06470	1.6
145.10104	1.9
152.32642	1.3
155.91400	1.5
159.08043	1.9
165.06902	2.1
167.08563	2.3
169.10083	1.9
171.08054	2.1
173.09546	2.1
181.10146	6.2
183.08072	1.5
185.09644	1.8
193.10233	1.7
195.08063	2.7
195.11668	9.9
197.09596	2.9
207.11688	2.3
208.12537	2.0
209.09604	6.3
210.10399	7.2
211.11229	5.4
221.09621	1.6
221.13220	3.6
222.10287	3.3
223.11140	12.3
223.14720	2.3
232.12468	2.2
235.11139	5.7
236.11934	3.0
237.12634	2.8
237.16298	3.1
247.14771	1.9
249.12733	1.9
250.13483	6.8
251.10442	1.6
251.14317	3.2
260.12024	2.9
263.14114	2.4
265.13300	2.7
265.15808	26.5
267.13782	3.1
275.14471	1.7
278.13025	1.9
283.16861	2.2
293.15384	20.5
311.16327	7.6
353.17444	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	353.1747
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
57.09465	0.6
65.68717	0.6
74.87185	0.6
81.34460	0.7
95.74106	0.6
102.89709	0.7
106.37544	0.7
145.06384	0.8
147.08145	1.0
224.11876	1.0
225.09227	1.0
232.54385	0.7
240.11557	0.9
242.47142	0.8
249.08994	1.1
251.10590	1.6
252.11320	2.8
253.08607	3.8
254.09329	1.0
255.13774	3.1
264.07944	0.9
265.08636	3.3
265.12039	1.0
267.10162	4.1
268.10898	7.4
279.09979	1.0
280.08115	0.9
280.10797	7.6
281.08093	3.8
281.11237	1.0
283.13385	2.9
293.11661	1.5
295.09665	10.1
295.13303	5.1
296.10419	3.5
305.11874	1.0
307.13220	1.3
309.14825	1.0
310.11945	6.2
310.15622	5.0
311.12769	11.5
312.13403	1.1
314.72012	0.8
321.14828	3.3
322.15689	2.6
323.12869	7.3
338.15115	3.0
353.17456	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	353.211
Annotation	Apo-8'-bixinal
Peak:m/z	Relative Intensity
55.05513	0.5
63.75148	0.6
71.74464	0.5
72.11958	0.5
79.05493	0.6
81.07021	1.2
93.07018	3.2
94.86411	0.5
95.08601	2.4
105.07013	3.7
107.08609	0.9
109.06502	2.7
119.08572	2.7
121.10156	0.7
123.08060	2.4
131.08527	0.8
132.40675	0.6
133.10110	1.4
143.08542	3.1
145.10144	1.0
147.08073	1.1
155.08524	4.6
156.09331	0.7
157.10066	0.9
159.08083	0.9
159.11708	2.3
161.09621	0.9
167.08496	0.8
168.09262	1.0
169.10107	3.8
171.07983	1.0
171.11687	2.8
173.09624	0.9
173.13348	0.7
181.10098	1.1
182.10912	4.3
183.11676	1.3
184.43788	0.7
185.13257	0.6
189.09076	2.8
193.10066	0.9
195.11765	1.1
197.09544	2.6
197.13257	58.8
199.14780	1.2
207.11696	1.2
211.11151	1.2
211.14737	0.9
221.13217	0.8
223.14685	1.1
225.12778	8.2
233.13292	0.8
235.11365	0.7
237.12808	0.7
239.14369	0.7
243.14029	0.5
247.14784	2.6
248.15640	0.6
249.16527	0.7
261.16339	0.8
262.13620	0.9
265.15652	1.2
267.17355	4.4
277.15765	0.9
279.17441	2.5
289.19388	1.3
302.16690	1.2
307.20660	1.1
317.18961	3.2
325.18008	5.6
335.19870	7.3
353.21078	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	353.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21327	0.8
81.07063	1.8
84.66422	0.7
85.49557	0.8
91.05440	1.0
93.07027	1.3
95.08577	1.0
96.97881	0.7
97.06566	0.8
105.07028	3.3
107.08588	3.8
109.06475	1.2
109.10146	1.4
117.07003	0.9
119.08572	5.9
121.06474	1.0
121.10069	1.5
123.08073	1.1
124.46856	0.9
131.08548	2.0
132.62616	1.0
133.10117	1.3
143.08549	4.9
145.10127	2.1
147.08015	1.2
147.11609	3.4
155.08524	7.1
156.09280	1.1
157.10066	4.1
159.11659	4.2
161.09573	1.4
167.08493	1.6
169.10089	8.5
171.08110	1.3
171.11642	2.1
173.09521	1.2
181.10089	1.3
182.10826	5.4
183.11685	1.5
185.09607	1.0
189.09125	3.7
195.11716	2.1
197.13248	100.0
199.14799	2.1
209.13258	1.5
211.14827	1.3
222.13831	0.9
223.11075	1.5
223.14856	1.4
225.12785	5.0
235.14757	1.6
237.16386	1.2
247.14680	1.2
265.15912	1.1
267.17477	1.6
279.17447	1.8
307.16556	1.0
325.18063	9.5
335.20129	5.0
353.21069	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2108
Annotation	Apo-8'-bixinal
Peak:m/z	Relative Intensity
52.01488	0.7
58.61906	0.7
62.13112	0.6
81.07047	1.2
83.83338	0.6
89.67606	0.7
91.05450	1.1
93.07002	2.7
95.08610	0.8
100.33733	0.7
105.07009	3.8
107.08582	1.3
109.06521	0.9
119.08572	3.3
121.10140	1.2
123.08067	2.6
125.45944	0.7
125.88046	0.7
131.08537	1.1
133.10104	1.6
135.08012	0.8
143.08557	3.0
145.10056	1.2
147.07957	1.3
155.08533	4.8
157.10051	2.2
159.08075	1.4
159.11687	3.0
161.09613	3.1
167.08528	1.0
169.10106	4.6
171.08040	1.3
171.11641	1.4
173.09543	0.8
181.10147	1.0
182.10901	6.0
183.11694	1.4
185.09619	0.8
189.09122	1.5
193.10149	1.0
193.56825	0.9
195.11693	3.5
197.13237	61.6
199.11133	1.0
199.14790	0.9
207.11761	2.5
208.12236	0.7
209.13153	1.4
211.11266	0.7
219.11621	1.0
223.11140	1.1
225.12724	10.5
225.82635	0.7
226.47095	0.8
227.14201	1.2
233.13225	1.3
235.14862	1.1
237.12683	0.9
237.16277	1.0
239.14209	0.9
247.14778	1.5
249.16394	1.1
251.14256	1.3
261.16376	1.5
263.14633	0.7
264.14899	0.8
267.17480	5.6
269.92532	0.8
275.14423	1.0
279.17487	4.0
289.16022	0.8
289.19415	1.2
293.15353	1.7
293.19052	0.7
302.16724	0.8
317.18884	3.4
320.17813	1.2
325.17938	6.8
335.19794	8.1
353.21085	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	353.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30294	0.9
53.79411	0.8
81.07043	1.3
85.87330	0.8
91.05470	0.9
93.07041	1.9
95.08612	1.2
105.07018	4.5
107.08615	1.7
114.19276	0.9
119.08570	4.3
133.10101	3.3
139.82687	0.9
143.08545	3.7
145.10106	1.7
147.11665	1.6
155.08553	7.4
156.09218	1.1
157.10063	1.8
159.08060	1.4
159.11687	5.1
163.07440	1.1
168.09309	1.5
169.10146	7.1
171.08023	1.2
171.11699	1.9
173.09721	1.2
182.10834	7.0
183.11624	3.4
189.09200	2.2
195.11781	1.1
197.09576	4.4
197.13254	100.0
199.11253	1.4
199.14819	4.1
207.11856	1.2
209.13271	1.1
221.13234	1.7
223.14923	1.0
225.12711	5.0
227.25809	1.0
235.14896	1.7
247.14769	1.0
249.16383	1.8
267.17307	1.5
270.87549	1.0
279.17557	2.3
289.19553	1.1
307.20636	1.4
317.18655	1.4
320.17831	1.5
325.18018	10.6
325.21518	1.6
335.19864	6.9
336.15060	1.0
353.21097	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2111
Annotation	Apo-8'-bixinal
Peak:m/z	Relative Intensity
55.05497	0.7
55.72615	0.7
56.88663	0.6
58.14814	0.9
65.91058	0.8
67.86502	0.7
69.07042	0.7
79.05481	0.9
81.07037	2.8
91.05467	1.3
93.07024	1.3
95.08603	3.1
102.07495	0.7
105.07026	3.2
107.08572	1.4
109.06504	1.3
119.08546	3.9
123.08039	4.7
129.06976	0.9
131.08496	2.7
133.10103	1.3
135.08073	1.0
141.07016	1.4
143.08556	1.8
145.10121	1.2
149.09653	1.2
155.08528	5.6
157.10118	3.3
159.08052	1.5
159.11668	2.8
161.09624	1.4
169.10109	5.5
171.07945	1.1
171.11615	0.8
175.11012	0.8
180.33920	1.1
182.10909	4.9
183.11639	2.7
189.09142	2.8
193.10159	1.2
195.11665	3.2
197.09564	3.9
197.13243	66.1
199.11171	0.9
199.14763	1.9
207.11658	3.1
209.13283	1.9
211.11089	1.2
211.14877	1.0
213.12755	1.0
221.13248	1.2
223.14690	1.0
225.12735	11.8
232.12529	0.9
233.13272	1.4
237.12772	1.5
245.13184	1.1
247.14830	3.0
249.12584	1.0
249.16345	1.5
251.14279	1.4
259.14844	0.8
261.16400	1.7
262.13495	0.9
265.15833	1.2
267.17389	7.9
275.14273	1.0
277.15820	1.2
279.17459	4.1
287.14014	1.0
289.19574	1.3
293.18799	0.9
302.16574	1.3
307.20425	1.3
317.18979	4.1
320.17624	1.2
325.17889	8.0
335.20007	9.1
353.16144	4.5
353.21078	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	353.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97596	0.8
67.85483	0.8
74.68402	0.8
79.05481	1.2
81.07029	1.0
89.98882	0.8
91.05478	1.2
93.07029	1.6
95.08587	1.4
95.22930	1.0
105.07008	5.1
107.08574	1.9
109.06537	1.3
115.14227	1.0
119.08594	3.5
121.10119	3.9
123.08033	1.6
128.78400	0.9
131.08585	1.5
133.10098	1.8
141.06946	1.6
143.08560	4.0
145.10126	1.3
147.11659	1.1
155.08519	7.9
157.10211	3.4
159.08028	1.5
159.11667	2.2
161.09601	1.3
167.08521	1.6
168.09358	1.5
169.10056	7.5
171.08026	1.4
171.11710	2.0
179.08578	1.1
182.10905	7.1
183.11723	2.2
185.09671	1.1
185.13385	1.4
189.09044	2.2
195.11613	2.2
197.13251	100.0
199.11020	1.1
207.11722	1.1
221.13150	1.3
223.14882	1.1
225.12686	6.1
233.13347	1.2
243.06523	1.0
247.14764	0.9
258.89899	1.1
263.14258	1.6
267.17355	1.5
279.17264	3.7
289.19333	1.7
307.17130	1.1
307.20483	1.4
317.18781	1.3
325.18015	15.4
331.32687	1.0
335.19891	6.2
353.21088	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2322
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
51.36269	0.7
55.46373	0.7
57.85295	0.7
79.05494	0.8
80.01416	0.7
81.07039	4.2
83.79409	0.8
91.05489	1.4
93.07029	7.4
95.04939	1.3
95.08595	9.1
97.06528	3.5
105.07015	4.8
107.08646	6.6
109.06529	1.6
109.10142	5.3
117.07003	1.2
119.08578	9.4
121.06499	4.7
121.10104	8.2
123.08059	3.2
125.05924	1.0
131.08557	6.1
133.10135	4.6
135.08063	3.8
135.11673	1.9
137.09612	3.2
143.08537	1.6
145.10149	6.5
147.08017	1.9
147.11659	3.3
149.09589	3.4
157.10107	4.3
159.11649	6.3
161.09589	1.9
161.13280	1.1
163.11090	1.4
167.10648	7.7
168.47049	0.8
169.10095	2.0
171.11667	4.8
173.13179	1.3
175.11156	1.2
179.10669	1.4
183.11649	3.8
185.09698	0.9
185.13194	1.5
187.11125	1.9
189.12666	1.0
195.11707	1.5
197.13232	2.0
199.14893	1.4
201.12709	1.6
209.13193	1.5
211.14835	1.0
213.16437	1.6
223.14650	0.8
225.16438	0.9
227.17993	1.6
229.15805	1.5
229.19604	1.0
237.16379	1.0
239.17845	3.9
245.19067	1.2
251.17867	1.2
253.19470	1.6
255.17377	1.3
257.19067	7.0
269.19061	4.3
271.20544	1.1
275.20142	1.9
281.18884	1.9
287.20026	3.5
293.20929	1.0
299.20065	2.1
305.21091	2.1
316.55942	0.9
317.21069	4.1
323.21747	1.3
335.22189	5.9
353.23190	100.0
363.36307	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	353.2323
Annotation	11beta-PGE2
Peak:m/z	Relative Intensity
55.05523	1.0
61.53982	0.7
66.80335	0.7
67.05493	2.1
69.07063	1.3
72.01157	0.7
79.05476	1.6
81.07076	7.5
91.05450	3.5
92.17883	2.0
93.07025	8.6
95.04955	4.1
95.08605	11.0
97.06536	28.9
105.07032	4.6
107.08598	7.4
109.06506	1.5
109.10165	9.3
118.20086	0.9
119.08571	8.6
121.06460	1.5
121.10143	7.7
123.08058	1.7
123.11705	1.4
129.06982	1.0
131.08566	5.6
131.52223	0.9
133.10130	7.9
135.08023	3.3
135.11682	4.3
137.09616	3.3
143.08539	1.8
145.10115	6.7
147.08051	1.8
147.11685	5.0
149.09634	3.4
149.13293	0.9
151.11145	2.1
153.09126	1.1
157.10112	3.9
159.11671	5.6
161.09579	3.8
161.13161	1.5
163.11153	3.4
167.10622	1.6
169.10118	3.5
171.11662	5.3
173.09563	2.1
173.13264	1.9
175.11113	1.2
179.10675	1.7
183.11681	3.5
185.13168	1.4
187.11182	1.0
195.11667	1.8
197.13287	4.2
199.14824	1.5
201.12650	1.2
211.14844	2.0
213.16351	1.1
214.97798	0.9
215.17986	1.2
227.18013	4.3
229.19518	0.9
239.17938	5.3
247.16745	1.0
251.17944	3.5
257.18994	5.0
257.21762	0.8
263.17972	1.1
269.19009	3.6
275.20038	4.6
281.19125	1.7
287.20209	3.0
299.20068	4.9
305.20975	1.7
317.21091	3.8
335.21942	6.2
353.23221	100.0
368.16083	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.15839	3.1
55.05509	8.4
55.50478	3.2
64.12340	3.2
67.05509	68.4
69.07040	5.9
79.05489	23.6
81.07063	100.0
85.69736	3.7
85.87462	3.3
91.05470	15.9
93.07034	53.7
95.08595	67.5
97.10139	4.8
102.58154	3.7
105.07017	6.5
107.08583	39.4
109.10162	52.1
110.95943	3.4
119.08562	14.8
121.10123	35.3
123.11742	29.2
131.08557	14.4
133.10127	15.3
135.11711	27.2
137.13251	5.3
145.10094	6.4
147.11661	15.8
149.13237	16.4
159.11676	8.8
161.13190	4.9
163.14775	7.4
173.13272	7.5
187.14862	5.5
243.21103	20.3
261.22073	82.1
299.59128	3.8
302.00629	3.7
335.25781	12.1
353.26938	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.84462	1.3
55.05502	7.1
57.07060	2.6
62.34443	1.6
63.21039	1.3
67.05502	13.2
68.14688	1.6
69.07069	14.3
71.08631	24.4
79.05479	2.2
81.07058	27.3
83.08609	9.3
91.05479	3.3
92.84055	1.5
93.07008	13.3
93.26588	1.6
95.04939	2.5
95.08592	22.7
97.06529	3.0
99.08085	14.3
105.07016	10.5
107.08602	9.4
109.06505	16.8
109.10146	9.0
119.08559	9.6
119.61771	1.5
121.06521	2.6
121.10121	6.2
123.08056	3.3
123.11659	2.6
131.08557	2.8
133.10132	9.6
135.08026	3.5
135.11688	6.4
139.11156	6.9
141.09106	1.8
145.10129	1.9
147.11711	5.6
149.09636	1.8
149.13216	2.4
161.13263	3.3
163.11111	2.1
165.12746	56.5
165.14153	2.4
175.14767	2.9
177.12805	9.0
209.19046	16.4
289.25262	22.4
307.26379	2.7
317.24741	76.7
335.25760	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.3
57.03438	3.4
57.07079	3.6
64.16006	2.8
65.51678	2.5
67.05175	3.4
67.05505	84.0
69.07063	12.2
71.35278	2.6
74.33347	2.6
77.59826	2.5
79.05491	41.4
81.07056	100.0
82.95934	3.0
83.08623	6.6
86.36099	3.1
91.05443	11.6
92.17822	6.2
93.07035	65.9
95.08602	83.9
95.09196	3.0
105.07024	19.4
107.08592	57.7
109.10144	45.7
117.06992	6.3
119.08570	15.8
121.10135	45.5
123.11703	20.9
131.08577	26.6
133.10153	24.8
135.11691	44.4
141.29485	2.8
145.10124	19.0
147.11693	14.1
149.13245	26.2
159.11661	18.9
161.13263	12.1
163.14790	13.4
173.13234	21.0
179.14297	4.3
183.86336	3.0
187.14830	13.1
233.22746	5.2
237.00999	2.9
238.31549	3.0
243.21068	35.8
258.85193	3.4
261.22116	98.6
335.25751	12.0
352.78754	2.9
353.26913	74.4
377.22528	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41964	1.8
52.81343	2.1
53.03962	2.2
55.05512	11.3
57.03421	3.4
57.07067	5.3
62.71059	2.0
62.93770	2.0
64.70877	2.3
67.05170	3.6
67.05508	78.1
69.07069	18.5
69.51741	2.0
78.26036	2.2
79.05498	35.7
81.07064	93.9
83.08624	13.4
83.56522	2.5
85.06522	3.2
85.38075	2.6
91.05473	23.7
93.06501	4.3
93.07044	74.8
95.08609	75.8
105.07044	19.8
107.08592	51.4
109.10158	40.2
117.07003	14.0
119.08551	14.2
121.10147	46.8
123.11690	19.2
127.03978	3.1
127.52124	2.3
128.39639	2.7
129.05449	2.6
131.08574	26.9
133.10143	18.6
135.11685	32.6
137.13257	9.8
145.10149	24.3
147.11705	14.3
149.09647	2.4
149.13274	22.9
151.14862	3.3
153.01828	15.7
155.08655	2.4
159.11702	15.9
161.13263	14.3
162.28203	2.3
163.14751	18.1
173.13261	17.1
177.16365	3.6
187.14816	12.6
201.16434	4.2
233.22636	4.2
243.21053	30.6
261.22113	100.0
279.23196	2.3
332.65735	5.1
335.22043	4.7
335.25690	12.0
353.27161	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05524	5.4
57.07086	2.9
58.70521	2.1
64.83698	2.8
65.94141	2.5
67.05505	60.4
69.07069	6.0
79.05503	18.4
81.07060	100.0
83.08616	4.9
89.43052	2.5
91.05470	13.5
93.07048	45.4
95.08604	68.7
97.06522	3.1
105.07011	6.4
107.08592	34.9
109.10161	48.3
111.08152	3.4
119.08574	11.3
121.10128	34.9
123.11719	23.8
123.69559	3.0
130.15878	2.3
131.08572	17.1
133.10127	11.3
135.11690	31.8
137.13252	6.0
139.11021	2.6
141.95328	2.7
145.10109	10.9
147.11714	11.5
149.13214	15.8
159.11641	3.9
161.13242	4.6
163.14792	14.5
172.58153	2.4
173.13266	11.3
175.14752	5.0
187.14821	10.4
212.23590	3.0
218.39742	3.0
243.21019	19.6
261.22131	64.8
335.25757	11.4
353.17679	8.5
353.26877	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	10.5
57.03450	7.6
57.07082	3.7
66.21581	2.2
67.04203	2.5
67.05507	78.0
69.07064	13.5
79.05494	26.1
81.07061	100.0
83.08636	5.5
88.61632	2.1
91.05464	13.5
92.17853	3.9
93.06507	2.7
93.07043	50.9
95.08601	82.9
96.32378	2.1
99.08082	2.8
105.07020	14.6
107.08591	39.7
109.10158	52.4
117.06995	4.9
119.08567	13.2
121.10137	39.4
123.11705	23.6
129.04077	2.8
131.08527	25.0
132.84708	2.4
133.10115	13.9
135.11664	35.8
137.13261	9.9
145.10095	16.4
147.11702	17.3
149.13251	22.5
159.11691	12.2
161.13281	12.0
163.14798	11.7
173.13280	18.2
175.14778	2.8
177.16449	2.3
187.14763	5.5
201.16489	4.0
209.40390	2.2
226.16698	2.8
230.54340	2.8
233.22672	5.2
243.21007	23.4
261.22128	85.6
261.24838	3.8
335.25778	13.9
353.26825	82.3
378.18680	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91271	3.2
55.05515	15.5
57.07088	4.3
59.44970	3.5
67.05505	75.6
69.07067	8.6
71.43275	3.8
79.05500	42.9
81.07053	100.0
83.08613	7.2
91.05454	19.7
93.07030	64.3
95.08605	85.6
99.08095	4.9
105.07015	19.0
107.08582	61.6
109.10150	53.8
119.08546	8.1
121.10109	47.9
123.11703	19.7
131.08568	23.1
133.10103	23.5
135.11687	48.7
137.13232	19.1
145.10091	19.3
147.11694	17.5
149.13216	35.4
159.11644	20.1
161.13232	19.2
163.14867	8.0
173.13242	6.6
173.60396	4.4
177.16357	5.6
187.14801	8.8
226.09937	4.2
243.20985	29.5
261.22116	96.1
353.26929	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.45714	0.7
55.05510	5.6
57.07093	1.2
67.05505	7.7
69.07068	8.9
71.04996	1.0
71.08635	14.5
78.77517	0.8
79.05492	5.1
80.89143	0.8
81.06639	1.0
81.07064	15.4
83.08620	3.5
85.06554	0.8
91.05470	4.0
93.07046	14.8
95.08607	13.4
97.06515	4.0
99.08112	7.4
105.07018	5.4
107.08608	13.7
109.06508	14.2
109.10141	4.5
111.08054	1.9
119.08561	4.7
121.10128	5.6
123.08041	1.4
123.11726	3.6
131.08578	1.8
133.10138	4.1
135.11682	3.6
145.10059	1.0
147.11673	1.8
149.13231	1.5
151.11179	1.3
153.12756	1.7
155.38292	0.9
161.13237	3.6
165.11438	1.8
165.12744	30.6
175.14835	2.0
179.14354	1.3
193.15900	4.4
235.16887	6.4
248.09570	1.1
275.16632	1.0
277.42645	1.0
291.23172	43.7
309.70633	0.9
335.25607	1.6
353.26846	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	354.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59316	11.6
54.24624	11.8
69.03429	19.6
70.02120	13.5
85.02888	100.0
97.02875	14.5
98.97592	22.8
127.03918	19.4
135.59305	12.5
136.08150	12.6
141.68199	15.8
143.01895	25.3
145.04933	21.6
182.55396	13.0
185.03056	19.4
203.04048	13.1
209.68581	12.8
214.04385	15.6
227.04163	17.3
245.05040	75.9
245.07306	17.7
273.08081	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.05506	3.1
60.04248	1.1
60.04529	25.1
67.05505	9.7
69.07056	4.4
71.04978	1.1
74.62140	0.8
76.43014	0.7
79.05471	4.5
81.07053	12.7
83.08594	3.7
85.06548	1.4
85.10487	0.8
87.50209	0.7
91.05463	3.4
93.07028	10.8
95.08601	11.9
97.06529	1.4
97.10117	1.0
100.11198	1.1
105.07014	3.5
107.08578	7.2
109.10163	5.7
111.08071	1.2
117.06938	1.0
119.08565	4.8
121.10130	11.4
123.11678	1.2
131.08543	1.2
133.10155	5.4
135.11670	8.3
137.09578	1.6
141.28380	0.8
145.10143	1.4
147.11661	4.0
149.13249	3.8
154.12254	3.8
156.13826	11.2
159.11745	3.1
161.13272	1.2
161.56479	0.7
172.13254	3.7
259.05872	0.7
259.20547	1.8
276.23019	0.8
277.21609	3.4
294.24283	14.0
312.25253	15.7
354.26361	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.7
59.50597	2.0
60.04537	3.6
63.32425	2.2
67.05496	14.6
69.07064	5.1
71.04980	2.6
71.43273	2.1
72.27840	2.1
78.97057	2.1
79.05486	12.2
80.64156	2.2
81.07063	5.1
83.04980	3.8
85.06561	3.7
91.05479	29.0
93.07035	4.9
95.04977	15.5
95.08597	2.8
97.06523	4.0
100.11255	48.4
105.03402	4.2
105.07045	15.4
107.08588	35.6
109.10130	4.1
113.06000	4.5
117.06998	8.9
119.08603	19.7
121.10123	3.5
131.08542	10.4
133.10124	76.5
135.39137	2.4
142.12276	3.1
143.08562	21.1
145.10143	12.9
147.08002	2.4
151.11192	21.2
161.09607	88.5
161.13243	4.8
171.11690	4.9
179.09076	3.5
179.10655	100.0
185.13217	2.7
197.11757	17.3
199.14919	2.4
265.19540	5.4
283.20444	10.3
301.21619	31.2
319.22604	9.6
354.26453	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	354.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.6
55.41986	9.3
57.07075	40.5
57.69143	9.3
67.05487	23.8
69.07064	72.1
71.08629	16.6
81.07047	80.9
82.48769	10.5
83.08635	77.4
92.09569	10.6
93.07037	14.8
95.08604	70.0
97.10162	58.0
109.10176	16.1
110.82440	10.6
111.11688	18.2
129.55525	11.0
136.33386	10.6
138.37535	9.9
154.50842	12.0
158.68022	11.0
179.95270	10.3
274.19043	11.0
319.29935	24.5
320.12561	10.2
336.32446	12.7
354.33719	100.0
355.31989	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.9416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05464	4.7
60.83003	4.5
63.06290	4.4
70.85625	4.5
77.18968	5.3
92.18506	4.9
98.97559	10.3
112.84956	5.1
112.89573	12.5
113.03508	4.9
114.89317	100.0
116.98544	7.4
118.03571	4.7
179.13045	5.9
196.87921	6.3
312.85483	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89135	2.9
64.92290	2.9
69.03415	3.5
70.06617	3.6
72.15611	2.9
73.25037	2.9
88.02207	7.2
114.35731	5.4
114.62708	3.0
122.06030	5.0
150.05487	7.4
152.07086	26.8
160.07906	6.0
166.50955	3.3
219.01794	4.8
221.05571	18.5
237.02869	5.3
267.13327	30.4
337.10339	5.4
337.17444	4.5
355.07840	67.5
355.11954	6.1
355.13983	15.7
355.18564	100.0
357.38861	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	355.1022
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
51.38964	1.0
52.75681	0.7
62.33830	0.8
63.73694	1.0
85.02885	3.7
103.03970	1.5
109.02858	1.4
117.25033	1.1
126.48212	1.1
189.05493	8.1
193.04951	4.3
203.07025	5.1
205.04942	100.0
217.04979	10.9
219.06599	1.1
229.04993	1.9
231.02933	1.7
231.06493	22.0
235.05994	86.4
245.08075	18.4
255.06567	5.2
259.05981	36.4
271.05933	18.3
283.06033	12.5
289.07004	20.6
301.07043	16.8
313.77353	1.1
319.08029	14.4
337.09094	13.9
355.10193	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	355.1024
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
54.59378	0.9
56.57627	0.7
65.75354	1.1
71.70039	0.9
85.02908	1.1
91.53893	1.1
126.45569	1.0
147.04306	1.1
193.04912	5.0
205.04947	70.0
206.05731	10.7
217.04901	9.8
219.06448	9.2
229.04881	1.0
231.06493	3.5
233.04373	6.6
235.05998	97.4
243.02824	3.9
245.04353	1.6
245.08080	23.1
247.06010	5.4
248.98962	1.0
249.07677	1.8
259.05951	26.1
261.03793	2.1
265.06992	4.6
271.05841	1.6
273.07556	9.8
277.07095	1.6
289.07034	14.1
301.07129	11.8
319.08118	16.4
337.09058	13.4
346.98843	1.1
355.10181	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72908	0.3
58.13907	0.4
63.57036	0.4
66.68766	0.4
70.57181	0.4
76.69645	0.5
79.04233	1.0
83.04967	0.7
87.86519	0.4
102.72652	0.4
106.02904	1.8
123.04391	0.6
123.05463	0.6
123.72071	0.5
124.03941	2.7
134.99881	0.4
139.07545	0.6
140.03441	0.7
151.07567	3.7
162.09135	2.5
178.08580	2.2
179.07082	3.8
190.04974	11.0
191.05727	0.5
193.08585	0.7
197.61224	0.4
206.04514	3.5
206.08113	16.5
238.07121	0.5
254.06541	3.1
279.80368	0.4
290.10324	0.7
337.03952	0.5
338.12314	100.0
355.14972	7.0
355.18881	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	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
59.87244	2.5
60.43640	2.4
64.00041	3.3
76.65709	2.5
91.05474	13.1
92.18500	6.8
95.08564	2.7
100.38927	2.2
103.05486	3.2
105.07040	11.4
107.04967	10.0
107.08624	4.2
111.04488	2.4
117.06951	3.2
121.06477	3.0
129.07014	15.2
131.04945	6.5
131.08575	4.6
135.08037	13.8
137.05981	16.3
145.06497	4.0
147.08035	11.0
149.05963	3.2
151.07515	6.4
157.06441	11.0
161.05963	100.0
161.09619	10.9
163.07558	15.9
174.06763	10.7
175.07536	74.8
175.74837	2.6
187.07632	3.3
189.09105	37.6
207.10126	11.4
219.08104	5.0
225.56157	2.5
235.07420	3.5
236.08205	2.9
245.05913	3.6
245.09608	4.0
249.09096	11.5
251.10645	23.3
277.08667	15.8
277.12076	6.3
279.10059	5.7
290.09351	3.4
291.10223	2.9
296.10690	2.5
305.11777	6.2
309.11209	11.6
311.12738	45.3
313.18176	2.7
337.14221	20.7
355.15265	54.6
355.22565	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	355.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48965	1.9
58.55925	2.0
59.12432	2.2
67.05538	3.0
68.38435	2.3
69.03401	3.4
79.05470	3.3
81.07069	4.2
91.05482	13.0
93.07044	5.1
95.04932	2.4
95.08587	10.6
105.07010	9.9
107.04890	3.3
107.08580	4.5
109.06503	3.2
109.08797	2.2
109.10157	14.0
117.07011	3.8
119.04952	2.8
119.08597	3.0
121.06554	4.1
121.10123	9.8
125.09638	2.7
127.11206	9.2
128.06183	3.6
129.07011	12.7
131.04967	4.6
131.08525	4.2
133.06483	4.1
133.10107	5.4
135.08020	5.2
135.11653	2.3
137.05974	21.8
144.42540	2.9
145.06473	5.7
145.10188	2.8
147.08012	10.7
147.11678	4.4
151.07527	9.1
157.06470	16.1
160.05133	3.4
161.05971	100.0
161.09630	5.5
163.07536	17.6
165.09131	5.7
165.28107	2.7
174.06763	4.8
175.07533	75.0
189.09099	29.9
200.32076	2.9
203.05415	3.1
207.10161	10.6
219.08047	2.5
221.05988	3.0
236.50124	2.7
245.09673	3.9
247.07538	5.1
249.09105	15.9
251.10629	21.1
264.07751	2.9
273.09256	2.6
277.08612	18.8
277.12234	12.2
279.10236	13.9
284.18491	2.6
296.10495	5.8
301.21643	2.9
309.11255	13.6
311.12744	58.7
319.23019	2.5
337.14343	25.8
337.23669	12.5
355.17706	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	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28695	1.7
73.82786	1.6
74.65292	1.5
79.49667	1.8
80.41750	1.5
81.07049	7.5
83.05038	2.1
84.05416	1.8
86.22254	1.9
89.26158	1.8
91.05476	12.8
92.17835	2.2
93.07050	2.0
95.04984	2.0
95.08598	13.2
95.32731	1.8
105.07010	9.7
107.04945	3.7
109.06489	4.0
109.10136	3.4
115.05483	2.3
117.06986	3.5
119.08572	4.2
121.06503	2.5
121.10217	2.5
129.06987	13.4
131.04933	10.1
131.08565	3.9
133.06503	2.1
133.10141	2.2
135.08047	3.2
137.05992	14.2
145.06477	3.3
147.08095	12.6
149.06091	2.0
151.07558	8.6
155.08493	2.0
157.06470	14.1
159.08031	2.8
160.05176	4.2
161.05965	100.0
161.09641	8.3
163.07539	16.5
165.05481	2.1
165.09102	7.1
174.06763	6.8
175.07526	69.4
189.09088	29.3
193.08566	3.3
199.07512	3.2
207.10172	8.7
220.08879	2.8
223.11281	3.4
236.08403	3.8
245.05930	6.5
245.09744	4.0
246.10551	2.2
247.07620	2.9
248.08398	2.6
249.09001	13.4
251.10602	17.4
262.09882	2.6
274.09979	1.8
277.08597	15.8
277.12210	9.0
279.06476	1.9
279.10159	8.4
290.09122	2.0
291.10059	2.7
294.08966	2.8
295.13150	2.3
296.10434	7.6
309.11154	10.0
311.12775	54.9
319.22617	2.5
323.12665	1.9
337.14304	24.9
337.23526	2.9
355.16782	37.6
355.24768	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	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29395	0.5
56.49956	0.6
58.75045	0.5
59.69741	0.5
61.85762	0.6
66.99638	0.6
67.41337	0.6
91.05534	0.6
92.17934	0.8
103.41399	0.6
105.06992	0.8
119.08585	1.3
121.10131	0.7
135.08055	1.0
145.10144	0.8
151.59439	0.7
175.11047	1.4
195.11839	0.8
203.05247	44.4
249.16463	1.0
277.15781	0.9
295.16925	3.1
355.17212	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
67.05495	0.6
83.00185	0.5
93.07038	0.9
95.08598	0.5
105.07018	0.9
107.94823	0.4
117.53991	0.5
119.08567	0.8
153.73819	0.5
161.05916	0.7
175.07443	0.5
193.12132	0.6
203.05247	3.8
253.15712	0.6
295.16962	2.1
332.73505	0.5
355.17239	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	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.22084	0.7
72.19500	0.8
77.68179	0.8
86.94932	0.7
87.23256	0.8
91.05441	0.9
92.18448	1.4
104.67397	0.8
105.06987	0.9
121.10178	0.8
144.71725	0.9
147.08012	1.3
161.05960	6.0
175.07550	6.0
189.09082	2.9
236.32605	0.8
239.14525	0.9
243.05046	0.8
277.08792	1.2
295.16779	1.6
311.12695	4.8
313.37622	0.9
331.22583	0.8
355.17233	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	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.68655	0.5
57.19682	0.6
62.84963	0.6
64.76843	0.6
81.61314	0.8
88.35969	0.6
127.02586	0.6
143.19144	0.7
355.17255	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	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99842	0.5
54.23186	0.5
105.07040	1.3
131.45970	0.6
169.10188	0.7
174.78325	0.6
177.23358	0.6
203.05220	2.7
209.64223	0.6
220.08759	2.8
235.11272	2.4
355.17245	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	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29395	0.5
56.49956	0.6
58.75045	0.5
59.69741	0.5
61.85762	0.6
66.99638	0.6
67.41337	0.6
91.05534	0.6
92.17934	0.8
103.41399	0.6
105.06992	0.8
119.08585	1.3
121.10131	0.7
135.08055	1.0
145.10144	0.8
151.59439	0.7
175.11047	1.4
195.11839	0.8
203.05247	44.4
249.16463	1.0
277.15781	0.9
295.16925	3.1
355.17212	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	355.1901
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
55.05499	1.6
56.60532	1.0
57.12048	1.1
59.51672	1.0
67.05490	1.2
69.03430	2.4
69.07053	1.3
71.27106	1.1
79.05490	8.4
81.07041	2.8
85.17657	1.2
87.11359	1.1
91.05461	7.4
93.07030	5.9
95.04965	2.9
95.08585	5.1
97.06494	2.2
105.07018	6.1
107.04921	2.1
107.08579	5.2
109.06490	1.7
109.10167	2.0
110.67391	1.3
117.07021	2.2
119.08565	2.3
121.06494	4.7
121.10094	2.1
123.08059	4.6
131.08542	2.7
133.06523	1.4
133.10097	2.7
135.04367	1.2
135.08032	4.5
137.09601	2.7
143.08571	6.0
145.10123	5.4
147.08037	4.9
147.70619	1.0
149.09624	4.9
151.11256	1.3
154.97255	1.2
155.08537	1.7
157.10066	5.1
159.08026	4.7
159.11684	2.5
161.09607	2.3
167.08589	1.9
169.10132	2.9
171.08026	5.2
171.11676	2.7
173.09677	1.9
175.11182	2.0
179.06075	1.2
183.11716	2.6
185.09608	2.5
185.13263	1.6
189.12714	1.6
193.10094	1.7
195.08109	1.3
195.11700	2.1
197.09578	2.1
197.13269	1.7
199.11121	1.9
203.10625	1.4
207.11710	2.6
209.13258	2.2
211.11191	5.5
213.12642	2.3
215.10753	1.2
220.12393	1.2
225.12683	6.0
237.12799	1.5
238.13429	1.2
249.16249	1.6
251.14279	1.5
252.14940	1.4
253.15871	1.3
262.13638	1.3
267.17471	6.5
277.15854	2.7
295.16959	19.8
297.14816	1.9
307.45404	1.4
313.18118	11.8
355.19031	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	355.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37117	2.4
60.65556	2.3
69.07048	5.8
70.23444	2.9
72.11014	2.1
77.79820	2.4
79.05492	3.9
79.68933	2.4
81.07050	4.5
83.08627	2.6
89.75561	2.5
91.05483	3.0
93.07017	8.6
95.08582	4.1
98.97548	2.8
105.07018	17.7
107.08595	10.9
109.06502	3.1
119.08587	9.4
121.06486	15.5
121.10126	4.7
122.25750	2.5
123.08099	4.9
131.08636	9.1
133.06467	16.5
133.10168	10.4
135.08076	27.7
137.09576	4.0
143.08578	5.4
145.06496	3.3
145.10176	6.0
147.08032	5.7
149.09627	6.0
151.07521	2.7
155.08540	9.9
157.10074	11.9
159.08078	11.0
161.05894	2.5
161.09604	13.4
169.10138	19.2
171.08080	4.5
171.11638	4.9
173.09610	11.7
175.11108	4.3
177.09138	13.6
179.08722	3.5
181.10132	9.6
183.08145	3.2
183.11623	19.9
185.09583	9.6
185.13272	2.9
187.11230	9.6
193.09993	8.0
194.10918	2.9
195.11674	5.5
197.09662	12.2
197.13309	12.4
199.11206	10.5
206.11003	2.8
207.11714	19.2
209.09734	2.8
209.13319	3.8
211.11162	26.2
213.12831	3.0
218.05380	2.8
219.11697	6.2
220.12466	5.3
221.13287	9.6
223.11217	3.6
225.12732	22.9
233.13181	3.0
234.14040	11.7
235.11209	2.9
235.14861	3.2
237.12668	4.3
239.10631	3.2
239.14233	2.8
239.17928	4.0
241.15965	3.1
247.11168	4.6
249.16464	16.1
252.15115	4.4
253.12259	15.6
253.15924	12.0
262.13400	9.1
267.14847	2.8
267.17355	25.4
271.13400	3.1
271.16638	3.0
277.15857	26.1
285.18362	3.2
295.16907	59.9
313.17941	45.3
325.09271	2.7
331.31345	2.7
337.18100	5.5
341.29868	2.9
341.74747	2.5
355.19073	100.0
365.65924	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	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46108	2.9
53.71101	3.2
55.05515	3.7
62.92749	4.1
67.05501	5.2
69.03426	3.7
69.07051	4.8
70.01101	3.3
79.05481	6.1
81.07048	7.0
83.04981	6.2
89.36045	4.0
91.05476	8.4
92.18562	3.7
93.07008	5.0
95.04945	6.3
95.08591	4.5
97.06534	4.9
105.07031	23.4
107.04914	5.8
107.08592	19.5
109.06555	5.1
109.10168	29.4
117.06970	5.1
119.08556	18.7
121.06499	6.6
121.10151	16.7
123.08066	7.8
123.11672	8.1
128.06242	3.8
128.23412	3.8
129.06934	4.1
131.08569	8.9
133.06470	6.2
133.10159	21.2
135.08052	26.5
137.09630	23.0
143.08531	8.2
145.10139	14.4
146.12872	3.5
147.08049	7.2
147.11659	4.2
149.09622	22.2
151.11165	19.1
155.08585	6.9
156.09483	3.5
157.10124	6.0
159.08069	6.7
159.11681	6.7
159.36238	4.2
161.05917	4.3
161.09570	6.5
163.11200	4.6
167.08537	5.3
169.10120	16.1
171.08051	4.5
171.11636	7.5
173.09642	15.8
177.09088	7.8
179.08533	5.6
179.10678	5.6
180.09261	4.0
181.10039	14.1
183.11668	17.8
185.09622	5.8
187.07599	5.4
187.11130	6.3
193.10182	9.0
195.11726	5.0
197.13300	7.9
203.10588	5.3
207.11703	15.9
209.09595	7.1
211.11159	15.6
215.10590	4.9
215.14427	4.7
223.11292	5.3
225.12743	18.3
234.14256	4.6
237.12897	4.8
239.14235	5.2
249.16293	5.9
253.15845	8.3
267.17389	30.0
268.77310	4.0
277.15811	8.3
285.18405	7.5
295.16904	70.0
303.50687	4.2
313.17929	89.7
327.19333	4.2
337.17941	4.4
355.19006	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	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12729	2.0
54.06406	2.5
55.38601	2.4
59.08634	2.3
69.03458	2.7
69.07057	5.7
79.05489	6.1
80.28388	3.2
81.07069	4.6
83.04979	3.2
91.05454	5.9
93.07041	4.8
95.04953	3.7
95.08598	5.3
105.07011	23.3
107.08588	13.1
109.06532	4.0
109.10181	3.6
119.08573	13.2
121.06500	16.3
121.10126	5.3
123.08034	3.4
131.08543	5.5
133.06479	4.2
133.10133	11.9
135.08049	15.7
137.09648	6.2
141.07008	3.1
143.08543	6.4
145.06421	10.6
145.10144	14.6
147.08051	3.5
147.11600	3.4
149.05948	3.7
149.09607	11.6
155.08583	12.5
157.10078	5.8
159.08073	14.5
159.11623	3.5
161.09595	15.1
163.11055	4.0
168.09387	2.9
169.10109	15.6
171.08171	3.9
171.11629	4.3
172.21617	3.0
173.09569	6.8
175.11153	7.0
176.73422	2.8
177.09052	3.5
181.10153	4.7
183.08063	4.3
183.11691	18.5
185.09645	4.9
187.11130	6.2
189.09135	2.7
193.10092	13.1
195.11687	10.5
196.12460	2.8
197.09599	12.3
197.13281	12.2
199.11096	7.0
201.09018	3.1
203.05211	3.5
205.10191	3.6
207.11667	15.3
209.09450	4.6
209.13203	4.4
210.10335	5.3
211.11131	24.5
211.14732	4.1
213.09338	3.3
213.12738	4.6
217.12254	2.8
219.11705	4.1
220.12500	11.7
221.13371	6.7
223.11176	11.9
224.11903	3.7
225.12717	19.7
225.16290	3.9
227.10703	3.3
227.14209	3.1
234.13911	4.7
235.11183	5.2
235.14751	4.5
237.12746	4.2
238.13701	4.1
239.10571	10.2
239.14297	3.4
239.17931	4.0
241.12039	4.2
244.12267	3.0
247.11136	2.9
249.16360	5.9
251.14323	4.7
253.12248	15.7
253.15884	16.5
258.96341	3.0
262.13544	6.2
267.17426	25.9
271.13382	2.7
277.15854	31.8
295.16925	90.2
313.14368	4.1
313.17929	64.1
337.17975	3.3
355.19089	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	355.1903
Annotation	3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.60299	2.8
55.05519	3.1
62.39833	3.6
67.05495	4.5
67.73744	3.3
69.03443	5.1
69.58362	3.1
73.99113	3.5
75.80953	3.9
79.05489	6.7
81.07042	4.5
83.04968	7.2
85.67912	3.0
91.05476	40.9
93.07024	5.1
95.08595	4.5
97.02908	4.7
97.06533	4.9
105.07030	21.5
107.04917	6.3
107.08612	7.4
117.07019	4.4
119.08575	20.6
121.06448	4.7
121.10177	8.1
125.18594	3.8
129.06995	5.7
131.08551	17.3
133.06454	4.2
133.10120	22.5
135.08072	13.3
137.09615	5.9
143.08551	7.4
145.10085	5.6
147.08023	7.8
149.09579	15.2
156.09364	5.2
157.10110	13.5
159.08012	6.2
161.09651	15.2
165.09120	16.9
169.10112	7.8
171.11646	14.9
173.09589	7.8
175.07536	7.1
175.11179	6.3
177.08986	3.9
181.10162	5.5
182.10893	5.0
183.11691	16.1
184.37013	3.4
185.09615	4.6
187.11278	4.7
189.09023	4.0
189.12669	6.7
193.10170	3.9
194.10866	3.4
197.09634	5.2
197.13225	8.2
199.11168	15.9
201.12663	4.7
207.10086	4.4
207.11761	4.2
209.13216	4.9
211.11250	3.7
213.12866	3.5
215.10677	4.1
219.11508	4.4
220.12453	5.6
221.13359	4.8
223.14806	4.5
225.12808	6.0
234.14085	5.3
237.12567	4.3
249.16327	8.3
267.17383	15.4
277.15875	18.7
285.18341	5.0
295.16888	49.3
313.17984	64.9
337.17764	6.0
350.29980	3.5
355.19016	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	355.1901
Annotation	3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
55.01878	1.6
55.05520	1.5
59.14499	1.4
67.05514	2.6
69.03416	2.4
69.07054	2.7
79.05508	11.1
81.07054	3.7
82.40208	1.7
83.04971	2.9
83.08614	2.9
91.05454	11.3
93.07021	7.9
95.04935	3.7
95.08564	6.8
97.06529	6.3
105.07044	15.3
106.88421	1.7
107.04948	1.9
107.08563	8.8
109.06513	2.2
109.10135	2.6
115.05394	2.1
117.07011	6.4
119.08554	9.4
121.06451	3.3
121.10127	6.8
123.08057	6.4
123.11708	1.4
125.05952	1.7
128.06175	2.3
129.06952	3.0
130.54555	1.9
131.08539	7.2
133.06506	3.1
133.10120	7.3
135.08038	7.9
137.09598	8.6
140.46254	1.7
141.06993	1.9
143.08525	8.1
145.06567	2.1
145.10103	8.9
147.08043	3.9
149.05887	1.8
149.09639	5.6
151.11174	2.8
155.08542	6.4
157.10094	6.6
159.08038	3.5
159.11705	3.9
161.09581	3.8
163.11153	2.4
169.10141	7.1
170.03604	1.6
171.08076	3.4
171.11688	3.8
173.09618	8.7
177.09027	2.4
181.10150	3.1
183.11652	7.6
185.09621	7.5
189.09093	1.7
191.10558	2.0
193.10088	3.4
194.10991	1.7
195.11641	3.3
196.12413	3.3
197.09641	6.8
197.13242	5.8
199.11142	6.4
201.12711	2.3
207.11690	6.7
211.11198	7.0
211.14897	2.1
213.12727	2.5
217.12204	2.2
221.13347	1.7
223.11115	2.3
223.14853	2.2
224.12013	1.5
225.12700	6.7
233.39810	1.9
234.14114	2.1
237.12805	3.1
239.17986	2.0
247.10994	1.9
249.16489	3.0
251.14360	6.0
252.15134	2.3
253.12096	2.4
253.15860	2.6
267.17419	12.4
277.15799	3.5
285.18304	3.0
291.38602	1.6
295.16891	24.2
313.17999	24.8
337.18262	1.7
355.19034	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	355.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.4
56.93974	2.5
60.25319	2.6
64.39323	2.9
69.03403	3.1
69.07061	3.4
69.73913	2.5
77.97713	2.6
79.05490	5.2
81.07058	5.0
83.04969	11.3
91.05453	10.2
93.07038	6.3
93.11442	2.5
95.04963	4.6
95.08596	4.1
96.51647	2.8
97.06549	3.5
105.03342	2.8
105.07021	15.2
107.04951	3.5
107.08595	13.4
109.06495	4.6
109.10168	3.7
111.04427	10.6
113.67043	2.3
117.07035	4.5
119.08566	18.5
121.06495	6.3
121.10139	29.8
123.08076	5.0
131.08536	12.8
133.06517	2.9
133.10101	14.0
135.08046	12.3
137.09633	3.9
141.18663	2.7
143.08568	6.2
145.06450	6.2
145.10120	13.5
147.08034	12.9
147.11714	5.0
149.09615	5.6
151.11206	3.2
155.08507	5.2
157.10107	5.8
159.08083	12.4
159.11708	3.4
161.09653	10.7
163.07553	4.3
163.11115	3.2
167.08543	3.1
169.10103	6.1
173.09634	10.2
173.13281	5.1
175.07574	5.4
175.11221	3.6
179.08452	6.1
179.10701	3.2
181.10133	6.4
182.10815	3.7
183.11685	12.3
185.13300	3.6
187.11171	5.6
189.09114	3.1
193.10181	9.4
195.11639	5.5
196.08961	3.0
197.09572	4.9
197.13271	4.5
199.11127	10.4
201.12761	6.5
207.11650	18.1
209.13283	5.3
210.10353	3.5
211.11169	13.5
219.11821	3.2
220.08746	3.1
225.12724	16.2
229.12323	3.5
235.11140	2.9
237.12546	3.8
239.14317	4.0
249.16473	3.6
251.14380	3.2
253.12344	5.7
253.15869	4.0
262.13449	3.0
267.17520	12.0
277.15857	10.2
295.16879	38.0
313.17929	79.4
355.19119	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	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83183	3.2
67.05495	4.7
69.03429	3.6
79.05475	4.1
81.07054	5.6
83.05000	7.0
91.05466	5.9
92.18427	4.0
93.07020	14.0
95.04969	14.5
95.08598	7.5
98.87112	3.5
103.87323	2.9
105.07021	19.9
107.04945	4.2
107.08603	5.9
109.06519	4.0
115.95748	3.7
117.07010	5.7
119.08587	20.0
121.06493	15.1
121.10136	16.8
123.08047	3.6
123.11690	6.6
129.07018	5.2
131.08566	16.1
133.06512	6.3
133.10127	15.2
135.08067	14.5
137.09645	5.7
143.08578	15.6
145.06461	8.0
145.10101	15.9
147.08023	17.0
147.11687	3.8
149.09579	5.8
151.11194	5.6
155.08536	13.1
157.10175	11.6
159.08051	20.9
159.11661	6.7
161.09592	15.6
163.07509	4.1
167.08560	5.8
168.09377	3.5
169.10153	21.8
171.07957	5.7
171.11708	6.8
173.09586	7.7
175.11163	6.8
181.10097	12.9
183.11694	18.6
185.09679	5.9
185.13292	3.7
187.11205	12.9
189.12762	5.6
193.10158	5.2
194.10876	5.5
195.11717	7.3
197.09630	7.0
197.13274	15.5
199.11168	12.3
207.11716	19.2
209.13242	8.1
210.10362	5.3
211.11153	18.9
211.14851	6.9
213.12653	6.3
219.11708	7.1
221.13235	3.9
222.10294	3.5
223.11197	5.3
223.14937	4.0
225.12767	8.0
234.10461	3.9
234.14049	8.2
235.11130	7.5
235.14716	4.2
237.12793	13.1
239.14377	4.9
248.12054	5.4
249.16367	5.8
253.12282	4.0
267.17480	32.4
277.15826	21.5
285.18695	4.4
295.16928	69.8
313.17975	86.3
325.20224	3.7
355.18973	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	355.1901
Annotation	3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
57.40120	1.7
60.08113	1.6
66.87268	1.8
67.05486	3.3
67.84793	1.9
69.07040	2.3
79.05460	4.7
81.07032	4.0
83.04954	7.2
89.60241	1.8
90.60291	1.9
91.05442	3.2
92.17776	3.1
93.06978	9.9
95.04918	4.3
95.08561	3.9
97.06512	1.9
105.07011	14.3
107.08537	11.7
109.06455	7.4
109.10107	4.2
111.08045	2.2
117.06962	3.7
119.08494	9.1
121.06414	2.9
121.10072	12.5
122.45287	2.0
123.08081	2.6
125.05936	2.6
131.08510	4.2
133.06462	3.4
133.10071	8.9
135.07973	7.6
137.09506	10.0
143.08482	4.2
145.06432	3.4
145.10095	7.5
147.07933	8.3
149.09612	5.7
151.11122	2.5
155.08490	8.3
156.09164	2.4
157.10034	11.6
159.08060	4.1
159.11588	9.9
161.09499	9.0
167.08704	2.0
169.09996	8.4
171.07945	3.9
171.11565	11.4
172.08656	1.9
173.09439	4.7
175.07568	4.7
175.10971	2.2
179.08595	2.2
181.10043	9.1
183.11549	10.3
185.09541	3.6
187.07437	2.3
187.11049	2.6
189.09096	2.2
189.12653	2.3
189.80780	1.9
192.09291	2.2
193.10162	4.4
194.10916	2.8
195.11584	7.9
196.08577	2.0
197.09462	3.9
197.13326	6.1
199.11052	9.4
201.09061	3.0
201.12659	2.3
207.11577	9.8
209.13094	2.5
211.11046	10.3
211.14720	3.3
213.34729	2.0
215.10602	3.0
219.11650	2.8
220.12372	2.2
221.13136	2.4
225.12631	8.1
227.10466	3.4
231.53201	2.2
234.13931	3.3
235.10971	3.9
235.14723	3.0
239.10728	2.5
239.14255	2.4
239.17905	3.8
249.16197	9.7
251.14262	3.7
253.12044	3.0
253.15810	3.8
267.17432	15.5
277.15829	3.4
285.18369	3.4
295.16867	46.3
313.17935	54.1
355.18854	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	355.1901
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
51.43890	0.8
55.05509	1.8
57.30696	1.0
67.05495	4.6
67.49219	0.9
69.03420	2.5
69.07064	2.7
71.04993	1.0
79.05495	13.1
81.07047	2.2
83.05002	4.1
91.05463	8.6
93.07025	5.4
95.04982	1.6
95.08588	7.3
97.06520	4.7
105.07035	10.4
107.04952	1.7
107.08570	6.8
109.06539	2.1
109.10149	1.5
115.05397	1.6
117.07001	2.3
119.08569	6.9
121.06494	6.2
121.10111	1.6
123.08053	5.0
127.47459	1.1
128.06253	1.7
129.06998	1.7
131.08578	7.9
133.06442	2.0
133.10129	3.9
135.08046	6.8
137.09621	2.6
141.07011	2.2
142.07802	1.5
143.08586	9.0
145.06482	2.3
145.10147	8.7
147.08052	4.5
147.11621	1.8
149.09619	5.7
151.11128	2.4
155.08568	5.3
157.10107	6.5
159.08015	7.2
159.11670	5.4
161.09570	4.8
167.08629	1.7
169.10117	2.8
170.07274	1.4
171.08005	5.6
171.11653	4.9
173.09586	6.3
175.07430	1.2
175.11198	2.0
181.10114	4.1
182.10881	1.7
183.11687	7.5
185.09598	1.6
185.13269	2.2
187.11127	2.1
189.09128	1.6
191.10716	2.2
192.09404	2.2
193.10092	2.7
195.11705	6.1
197.09644	2.7
198.10352	1.3
199.11180	4.9
201.12726	1.5
205.10153	1.6
207.11644	4.1
209.13289	2.5
211.11125	9.2
213.12799	1.1
217.12297	1.4
220.12236	1.7
223.11201	2.2
223.14828	2.6
225.12682	5.1
234.14053	1.7
235.11197	1.4
235.14821	2.1
237.12688	1.8
239.14273	1.6
239.17937	2.0
241.12378	1.9
249.16328	1.4
251.14388	2.4
252.15076	1.6
253.12129	2.5
253.15860	2.3
267.17447	7.6
277.15799	2.6
285.18542	1.5
295.16925	18.8
313.17963	14.3
355.19034	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	355.1902
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
53.20650	0.7
57.07045	0.9
58.88135	0.8
60.59446	0.7
86.89521	1.0
91.56873	1.0
176.06123	0.9
212.08304	1.2
224.08351	5.8
236.11917	1.3
240.07788	4.6
251.10683	1.3
252.11502	1.0
253.12282	1.6
255.10153	7.3
264.11469	1.8
266.13043	1.4
267.10251	1.9
267.13806	1.7
269.11826	1.2
270.12506	1.5
271.09622	1.7
271.13037	1.3
279.10297	1.0
282.12445	3.8
295.13403	1.8
297.11560	1.6
297.14795	12.2
307.13321	1.3
313.14267	6.1
355.19028	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	355.1903
Annotation	3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
52.94114	2.0
53.60147	1.8
53.62242	2.0
57.03431	2.2
60.87271	2.3
69.07037	3.6
79.05485	3.3
83.04987	3.3
87.92786	2.7
91.05484	3.0
95.08537	2.7
97.06543	4.0
105.07006	4.6
107.08599	2.7
111.35451	2.5
113.10567	3.0
119.08593	5.2
123.08010	2.9
127.59734	2.2
131.08568	8.6
133.06499	10.3
133.10117	4.5
137.09621	3.1
143.08553	11.1
145.10133	3.2
149.09601	2.5
155.08542	9.3
157.10086	4.5
159.08028	13.3
159.11676	3.3
161.09492	3.2
167.08562	3.4
169.10075	12.9
171.07997	2.8
179.08536	3.5
181.10101	4.8
183.11678	9.0
187.11148	3.7
193.10153	5.1
195.11687	5.1
197.09628	23.1
197.13246	5.7
199.11169	8.3
207.11682	11.4
209.13182	5.3
211.11195	14.5
211.14774	2.4
214.26846	2.3
215.10669	10.9
219.11627	2.9
221.13272	5.5
223.11139	4.4
223.14709	4.4
225.12698	11.5
225.16328	5.4
234.13921	2.7
235.14856	8.7
237.12778	9.2
239.10571	2.8
239.14325	3.0
249.16252	4.2
251.14326	4.1
253.15826	5.7
262.13547	3.8
267.17520	13.7
277.15891	11.6
283.17023	5.2
295.16931	61.9
313.17953	26.7
351.63327	2.4
355.19049	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	355.2267
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.03812	0.8
57.07075	4.7
57.17793	0.8
67.66888	0.9
69.44010	0.8
72.20680	0.8
73.98569	0.8
78.63472	0.8
81.07056	1.0
91.05534	1.0
95.08617	1.0
119.08572	3.6
121.06499	19.8
135.04401	1.3
135.08070	1.4
137.09616	7.2
148.35353	0.9
149.13278	3.6
159.76111	1.0
161.09607	1.3
175.07559	11.2
175.95049	1.1
177.12740	88.7
191.10667	100.0
299.16406	13.9
354.85898	0.9
355.18372	1.5
355.22656	41.0
358.11734	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	355.2266
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.46588	0.8
61.33730	0.9
67.05468	1.0
79.05466	2.2
81.07047	2.2
91.05476	1.9
93.07049	7.2
95.08611	6.4
97.06531	1.1
105.07018	4.5
107.08596	31.9
109.06543	1.8
109.10146	3.4
111.63626	0.8
119.08544	4.2
121.06482	4.6
121.10122	2.2
131.08499	1.0
133.10161	2.0
135.08026	1.1
135.11667	4.2
137.01135	0.8
137.05945	1.2
137.22794	0.9
143.08545	4.1
145.10112	3.6
147.08022	5.1
147.11667	1.4
149.09665	0.9
157.10138	6.5
159.08000	1.0
159.11623	1.4
161.09595	2.0
169.10025	1.3
171.08054	3.4
171.11665	4.1
173.09595	1.1
181.10049	1.2
183.11676	1.8
185.09645	1.6
185.13211	1.9
187.11136	2.0
189.09088	9.9
194.20569	0.8
195.11716	2.1
197.13277	4.0
199.11188	1.3
199.14850	12.6
207.10149	4.8
207.11855	1.2
209.13199	3.9
213.12718	4.0
221.13274	1.4
225.12761	1.5
227.14281	4.7
229.12228	2.1
231.13766	6.9
235.14798	5.0
247.13287	4.5
249.14622	6.9
249.44461	0.9
263.14374	1.1
263.17941	1.6
281.18951	8.0
291.21198	1.6
295.16949	1.6
295.20480	1.5
299.16492	1.7
301.19333	3.9
313.18057	1.4
319.20447	7.2
337.21613	20.6
342.73581	1.0
355.22647	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05519	24.5
57.03442	3.4
57.07064	10.6
64.97143	2.6
67.05499	53.8
69.07057	41.1
71.08643	4.1
74.41198	2.2
79.05484	17.3
81.07054	100.0
83.08626	36.5
83.42870	2.3
90.23059	2.6
91.05466	14.8
93.07056	26.1
95.08597	83.9
97.06507	13.1
97.10156	21.0
99.08100	3.4
99.65440	2.5
105.07024	10.5
107.08587	22.5
109.10152	49.0
111.08054	3.3
111.11716	4.0
119.08566	17.3
121.10139	29.2
123.11686	23.8
128.80440	3.0
133.10107	22.4
135.11678	20.9
137.13231	11.4
145.67700	3.0
147.11674	16.0
149.13234	13.8
151.14787	3.3
161.13235	14.3
163.14816	15.2
163.62511	2.8
165.16391	4.0
175.14842	13.3
179.17915	5.2
193.15822	3.4
245.22588	46.1
263.23654	58.9
337.27322	32.0
355.28403	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.00117	2.7
55.05525	25.8
57.03431	13.5
57.07074	13.7
62.81710	2.6
66.73750	2.6
66.96004	3.1
67.05506	75.9
67.37936	2.9
68.31046	3.0
69.07069	49.6
69.25778	3.1
71.08614	5.5
72.71925	2.7
74.26117	2.8
79.05482	20.3
79.92336	3.2
81.07060	97.0
83.04987	2.9
83.08622	37.9
85.10197	5.7
89.06225	3.1
91.05473	13.0
93.07050	31.0
95.08601	100.0
97.06542	6.9
97.10156	28.4
105.07012	6.9
105.10728	2.8
107.08633	22.8
109.10159	47.4
111.08059	5.4
111.11725	6.4
119.08567	15.3
121.10165	29.6
122.40747	3.1
123.11684	25.1
133.10115	18.8
135.11696	17.6
137.13277	7.7
147.11685	16.8
149.13271	22.9
151.14815	5.1
161.13235	23.6
163.14812	12.8
165.16371	4.9
170.75938	3.2
175.14786	13.0
179.17947	3.6
187.21127	2.9
189.16331	6.1
210.75528	2.8
220.35330	2.7
228.24324	3.0
245.22646	54.7
263.23669	70.4
280.32800	3.1
294.23889	3.7
297.14862	3.0
313.14517	3.4
323.07779	2.8
337.27328	47.7
355.19122	62.5
355.28412	31.6
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	Unknow
Peak:m/z	Relative Intensity
52.30823	2.3
52.33961	3.1
55.05505	17.2
56.41597	3.2
57.07064	13.5
67.05502	72.3
69.07067	34.2
71.08628	7.2
79.05480	23.5
81.07064	86.6
83.08613	36.6
85.10155	4.0
87.86926	2.7
91.05469	15.1
93.07037	26.1
95.08597	100.0
97.06524	14.8
97.10162	19.3
105.07025	15.3
107.08607	23.1
109.10146	66.2
111.11690	4.1
119.08561	16.1
121.10119	35.2
123.11656	31.5
133.10161	24.0
135.11688	18.2
137.13263	14.3
147.11685	18.6
149.13232	22.0
151.14847	6.4
161.13225	16.5
163.14795	19.6
165.16415	4.6
175.14810	16.5
179.17932	3.4
242.07228	3.0
245.22600	56.4
263.23669	82.9
294.20688	3.2
337.27386	47.9
355.19028	13.1
355.28391	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.45918	2.2
55.05523	20.3
55.29057	2.1
57.03432	10.5
57.07070	14.9
57.83960	2.2
63.19601	2.3
67.05174	2.8
67.05508	69.7
69.07076	42.1
71.04102	2.5
71.08630	5.6
79.05495	18.3
81.07062	100.0
83.08626	36.7
91.05484	18.3
93.07050	35.0
95.08608	99.7
97.06504	6.4
97.10152	21.7
99.08126	4.0
105.07026	15.6
107.08595	28.6
109.10152	55.7
111.08086	3.2
111.11690	5.5
113.09594	3.5
115.59686	2.6
119.08562	20.0
121.10140	29.5
123.11705	28.2
129.18262	3.2
133.10144	23.0
135.11703	19.4
137.09665	4.1
137.13235	13.6
141.54024	2.7
147.10680	2.4
147.11646	20.1
149.13286	18.3
151.14787	10.5
155.67401	2.5
161.13214	19.3
163.14841	14.8
165.16444	3.3
175.14828	14.4
177.16341	5.0
179.17978	3.4
189.16380	4.2
189.55061	2.8
191.89386	2.6
193.15742	2.7
202.56281	3.5
245.22647	56.2
263.23666	77.7
267.49484	3.2
281.24704	3.2
294.33325	2.7
337.27426	45.1
355.28336	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	356.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45002	0.6
57.03436	6.7
65.40127	0.7
69.03425	3.7
71.04973	3.1
73.02917	1.0
81.03414	24.2
85.02892	3.8
85.06535	8.4
87.04449	1.6
94.06549	3.0
95.04958	1.8
97.02895	1.2
98.97527	1.0
99.04429	4.9
106.06603	0.8
109.02871	28.8
110.06027	8.2
110.07150	1.6
111.04408	1.1
113.06009	12.6
114.44008	0.9
127.03893	5.5
137.05995	1.3
141.05458	11.9
145.04990	1.1
163.03897	1.3
164.07066	1.7
165.07404	2.8
168.05449	1.6
176.06978	0.8
178.12253	31.6
189.04414	0.8
194.11752	38.9
195.08698	1.8
227.05602	1.4
245.06639	0.9
263.07581	28.6
272.11209	1.0
277.09122	4.2
293.08572	7.6
321.08130	7.4
335.46915	0.8
338.10559	1.8
339.09201	1.5
356.07715	3.7
356.12009	23.4
356.17007	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	356.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.5
57.03436	7.1
61.02924	0.5
67.07973	0.4
67.99354	0.3
69.03396	1.8
70.11265	0.4
71.04985	0.6
73.02921	0.5
74.52410	0.3
77.07268	0.3
81.03423	8.4
83.04963	0.4
84.04516	0.4
85.02898	4.0
85.06543	8.1
86.09710	4.5
87.04437	0.4
88.32673	0.4
92.04964	1.9
92.17842	0.4
94.06567	3.3
97.02853	1.8
98.97583	0.6
99.04449	2.0
107.78951	0.4
109.02879	9.3
109.27404	0.4
110.03658	0.5
110.06040	8.5
110.07157	1.8
113.05988	3.2
122.05971	2.3
127.03886	2.2
131.04916	0.4
132.10178	4.4
136.07610	0.6
141.05467	3.2
145.04987	0.5
150.05405	1.6
152.06987	0.4
163.03909	0.6
164.07050	0.7
165.07410	1.8
176.07040	1.8
178.12256	37.2
183.04184	0.5
194.08089	1.9
194.11758	48.4
195.08652	2.1
219.01686	0.5
225.09697	0.5
227.05504	0.6
263.07620	7.1
269.05145	0.6
272.11121	0.7
277.09152	0.5
293.08508	0.6
321.08035	2.8
339.09149	0.5
347.10370	0.5
356.12051	8.4
356.16940	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	356.17
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00189	0.7
62.51567	0.9
69.03410	4.7
71.04992	1.1
73.02893	1.1
74.01107	0.8
81.03059	0.9
81.03423	12.7
81.47152	0.8
85.02894	8.9
97.02863	1.4
99.04440	2.1
102.39197	0.9
103.05434	4.8
105.06995	3.5
107.04964	16.1
109.02865	11.9
120.08091	20.5
126.24728	0.8
127.03903	5.0
131.04919	100.0
134.09641	21.4
145.04904	1.4
149.05968	1.8
159.37263	0.8
163.14125	1.0
175.53320	0.9
194.11691	1.7
196.50296	0.8
206.09195	1.4
212.06975	0.9
283.11786	1.0
356.16983	80.7
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
53.23938	0.6
55.05501	1.5
55.95111	0.6
58.15215	0.6
60.04530	21.9
62.37107	0.7
65.03941	0.7
67.05508	12.6
69.07064	5.1
71.04976	0.7
76.72605	0.6
79.05486	3.5
81.07061	19.1
83.08606	2.9
85.06550	1.0
91.05444	1.1
92.08154	0.7
93.07027	4.8
95.08601	20.7
97.06487	1.3
99.32301	0.6
105.07042	1.0
107.08566	3.5
109.10160	11.1
119.08544	1.1
121.10145	3.2
123.07944	0.7
123.11684	4.5
131.08617	0.8
133.10136	1.7
135.11673	3.8
137.13222	1.0
147.11659	1.6
149.13184	0.9
154.12265	3.4
157.59859	0.7
158.15369	6.2
161.13266	1.6
172.13287	4.1
183.31650	0.8
273.71326	0.7
296.25882	10.2
312.27682	0.7
314.26883	17.1
356.27927	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	357.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	3.8
99.04397	2.3
121.58051	2.4
123.54698	2.9
132.80180	2.4
156.97479	14.8
174.98561	5.1
182.99092	9.7
194.99062	20.1
198.98500	18.4
201.00076	2.3
213.00093	38.7
216.99547	3.5
222.98528	11.3
230.56262	2.4
240.99580	15.2
255.01146	5.7
274.02649	2.3
286.97040	3.0
292.89893	4.8
301.01675	100.0
314.85181	4.7
315.03098	2.6
316.03488	10.4
316.28043	2.4
319.03152	3.1
334.04645	4.1
357.04349	93.6
375.05499	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	357.0968
Annotation	Milldurone
Peak:m/z	Relative Intensity
53.41998	0.3
55.50257	0.2
89.59827	0.3
90.76341	0.3
92.20113	0.3
94.15314	0.3
100.49358	0.3
110.40588	0.3
170.35207	0.3
181.64894	0.3
225.27322	0.3
269.08081	1.8
270.08832	2.4
272.21259	0.3
297.07599	1.8
298.08347	21.5
306.91980	0.3
311.09241	0.4
314.07706	0.5
322.37967	0.3
324.06250	1.4
342.07385	1.4
357.09671	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	357.0968
Annotation	Petalostetin
Peak:m/z	Relative Intensity
52.52639	0.3
53.26740	0.3
55.05505	0.3
62.07617	0.3
67.05482	0.3
69.07059	0.5
70.15008	0.3
79.05455	0.4
81.07064	0.7
83.04961	0.6
91.05478	1.3
93.07017	1.7
95.08591	0.5
105.07021	1.6
107.08569	0.7
109.06505	1.5
109.10174	0.4
112.26841	0.3
119.08558	3.2
121.06515	0.7
123.08031	0.5
129.07022	0.4
131.08565	1.4
133.10100	1.9
135.08022	0.5
143.08545	1.6
145.06474	0.5
145.10083	0.5
147.11635	0.6
149.09604	2.2
155.08667	0.5
157.10098	1.4
159.08052	1.5
159.11639	0.5
161.09627	3.7
165.06938	0.5
167.03413	0.6
167.08459	0.5
169.10094	1.5
169.51630	0.3
171.07980	1.2
173.09569	1.7
175.11148	0.8
178.07704	0.4
179.08574	0.4
180.09312	0.6
181.10127	2.7
183.11737	0.8
185.09531	1.5
187.11159	6.6
189.12778	0.4
193.10159	1.3
194.10831	0.8
195.08093	0.4
195.11610	3.4
197.09583	0.6
199.11156	1.9
201.12791	0.4
204.09315	0.7
207.11647	0.7
208.08846	0.5
209.09648	0.8
209.13226	2.2
211.11142	1.7
213.12715	0.8
215.14249	0.5
219.11661	1.5
221.09575	0.4
221.13205	0.7
222.10371	2.2
223.11113	1.6
223.14832	0.5
225.12706	0.4
227.14236	0.5
236.11966	0.6
236.15448	0.4
237.12727	8.0
237.16374	0.5
249.12694	0.8
251.17668	0.5
255.13715	2.5
256.07352	1.7
261.16315	0.6
264.15112	0.6
269.18890	0.4
279.17398	6.4
284.06757	14.4
297.07663	0.5
297.18472	3.9
298.08353	1.3
299.05533	7.5
314.07800	1.8
315.15912	9.6
315.19583	1.4
339.19604	0.5
342.07245	1.9
357.09650	100.0
357.20428	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	357.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71430	0.3
62.68079	0.3
81.03409	1.6
86.09713	0.3
89.03902	1.4
107.04948	1.4
109.02853	0.4
109.77964	0.3
117.03362	3.0
123.04397	0.4
132.05200	0.5
135.04419	8.9
137.06035	0.4
145.02843	10.1
163.03883	100.0
175.01561	0.4
177.05333	0.4
220.61383	0.3
265.69931	0.4
267.30923	0.4
314.13162	0.3
357.17194	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	357.1181
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.32061	0.5
50.67220	0.4
50.67469	0.4
54.42823	0.4
62.28797	0.4
67.29015	0.4
70.57722	0.5
70.92720	0.4
81.03407	3.3
81.71418	0.5
85.02883	0.5
89.03896	0.9
90.86989	0.5
95.01324	1.8
96.98815	0.5
106.84735	0.5
107.04949	0.7
109.02854	2.6
113.06030	0.8
117.03355	1.9
121.02866	0.6
122.03696	0.7
135.04413	7.8
137.05974	83.2
141.01801	0.5
145.02849	8.7
145.28842	0.5
163.03889	100.0
163.07552	2.0
165.28111	0.5
176.56769	0.5
181.08647	3.4
237.06506	0.6
267.86514	0.5
330.46716	0.5
339.10709	8.0
357.11444	3.5
357.15231	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	357.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40387	0.6
58.11789	0.7
78.73010	0.7
79.02231	0.6
86.68629	0.7
98.97565	4.7
101.00877	7.1
104.10730	3.7
105.11079	1.2
110.17203	0.6
116.98615	1.2
118.08643	4.3
119.01910	11.9
133.03448	1.0
139.02408	4.5
143.01906	7.1
145.03424	3.2
157.03456	23.0
161.02925	1.4
163.04488	3.6
171.05003	3.3
175.04518	8.3
181.05533	1.0
189.06125	0.7
193.05568	10.0
205.05553	12.3
211.06635	4.5
216.98688	2.7
223.06610	38.7
223.98611	0.7
234.99631	3.0
235.06639	19.3
241.07736	3.8
247.06676	0.9
249.08163	13.4
256.96313	1.0
259.00848	1.2
261.08121	1.1
265.07733	6.4
274.97495	6.2
277.01920	1.1
279.09216	5.1
292.98483	1.3
295.08893	0.8
338.96729	6.0
339.00641	0.9
356.96884	4.8
357.02841	2.2
357.12393	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	357.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98360	2.1
51.02280	2.2
51.59172	2.0
54.37336	2.2
59.03944	2.3
59.67422	2.5
83.35742	2.7
98.97571	19.5
110.97594	2.4
116.98614	4.3
122.07124	4.3
135.36134	2.9
139.28926	2.8
150.05605	2.8
153.07780	3.7
158.99672	4.9
180.06581	11.3
192.06573	5.6
194.08110	12.0
208.06133	3.2
222.07610	29.5
227.46500	3.1
240.08670	5.7
245.62442	3.4
250.07088	81.4
250.09503	4.4
268.08093	5.2
274.07129	4.0
274.97446	11.1
278.96713	2.8
282.09726	5.8
292.08130	5.1
310.09189	38.4
328.10153	18.5
338.00381	2.8
338.96677	13.1
339.11838	26.9
357.06296	3.0
357.12909	100.0
357.17349	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	357.1332
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.33539	1.0
57.07504	1.1
63.83833	1.0
79.05479	1.4
81.07059	1.3
83.05005	1.6
91.05455	2.8
93.07021	1.4
95.04970	1.7
95.08605	2.6
105.03392	4.5
105.07026	6.2
107.04947	2.1
107.08559	1.7
109.06532	7.0
109.10171	2.3
109.63741	1.2
111.04456	1.2
111.07992	1.3
117.07061	1.8
119.08611	2.7
121.06441	2.0
121.10129	5.6
122.03549	1.9
123.07982	1.7
129.07047	2.5
130.04166	1.4
131.04916	10.6
131.08563	2.3
133.10141	2.1
135.08073	2.0
137.05974	100.0
143.08504	3.7
145.02869	1.5
145.06491	5.1
145.10147	2.4
147.04422	4.3
149.05969	2.2
151.03908	27.0
151.05063	2.1
155.08531	1.6
157.06438	1.4
157.10138	2.9
159.08084	5.4
159.11743	2.3
161.05986	7.0
161.09694	2.3
162.06754	39.2
163.07527	7.4
165.05502	6.0
167.08588	1.5
168.09383	1.2
169.10149	1.5
171.08040	1.6
171.11713	2.8
173.09636	2.2
173.13272	2.7
174.06752	2.9
175.07526	8.3
177.05487	6.6
177.09210	2.5
181.10162	2.3
183.11639	1.8
185.13359	1.4
187.07550	6.4
189.05370	1.5
189.09108	4.2
191.08528	1.3
193.10117	2.1
195.11725	5.1
199.11200	2.6
205.08533	14.3
207.11668	4.5
209.13319	4.9
211.11339	1.4
213.12790	2.2
215.06918	2.2
219.08122	8.6
219.11755	1.9
221.13268	2.3
223.14749	2.3
225.16502	1.2
233.07961	17.5
235.14821	1.2
237.12796	5.5
237.16406	1.7
242.40735	1.2
247.07599	6.3
251.10649	2.0
251.17897	2.0
255.17439	1.8
261.09094	6.8
269.11746	1.9
269.18982	4.8
277.08572	1.4
278.09210	2.3
279.10175	6.1
279.17471	5.0
289.08823	1.5
293.08313	1.4
293.11746	1.7
296.71210	1.1
297.18420	13.3
306.08896	6.7
307.09607	7.9
308.10455	1.9
311.16605	1.4
315.16043	2.0
315.19614	2.6
321.11224	6.0
339.12326	23.4
339.15915	1.3
339.19455	5.6
357.13336	42.7
357.20499	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
50.12659	0.4
55.80073	0.4
67.05479	1.0
78.51635	0.4
80.64738	0.4
81.07040	0.6
84.99641	0.4
85.04316	0.4
88.09322	0.5
91.05480	1.0
93.07027	0.9
95.08594	0.9
105.03365	0.8
105.07012	1.0
107.08572	0.8
119.08598	0.6
121.10126	1.0
135.11691	0.5
145.10100	0.6
147.04398	0.5
167.03270	0.4
205.08560	0.5
217.93001	0.5
228.29811	0.4
233.38683	0.4
277.21664	0.6
283.09634	2.1
285.07584	1.8
286.21408	0.5
298.08438	4.8
304.22516	0.4
311.09180	4.9
312.10043	3.3
313.10571	0.7
325.10675	2.6
339.12283	2.1
340.24835	2.2
341.10287	1.6
342.10977	0.9
357.13300	100.0
357.20511	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	357.1694
Annotation	Dipegine
Peak:m/z	Relative Intensity
55.01883	1.1
59.33918	1.0
65.30212	0.7
71.39673	0.8
75.81694	0.7
79.05489	3.2
81.07046	1.3
91.05446	1.5
93.07029	3.6
95.04891	1.0
95.08592	1.1
95.35373	0.9
105.03362	3.9
105.07014	3.8
107.08524	1.3
117.07021	1.4
119.04861	1.5
119.08578	4.3
121.06482	0.8
121.54659	0.9
123.04379	1.1
129.06982	1.7
131.08531	9.4
133.06516	1.2
133.10144	8.8
135.08054	1.9
137.05943	4.9
143.08534	2.1
145.10133	1.2
147.04338	1.2
147.08076	1.8
147.11542	0.9
149.09572	3.2
153.06999	1.2
157.06494	1.4
157.10097	1.6
158.07242	3.4
158.08524	0.9
159.08147	1.3
165.06929	6.8
166.07729	1.2
167.08580	9.8
169.10088	1.1
171.08058	1.4
171.11687	1.2
173.09691	1.0
177.05417	1.2
179.08543	14.2
180.09346	5.9
181.06493	1.1
181.10068	11.0
182.07112	1.2
183.08067	1.8
183.11685	0.9
184.75540	0.9
185.09612	1.9
189.05469	1.2
192.09312	4.3
193.10126	4.4
194.10896	16.2
195.08008	6.8
195.11687	7.5
196.08812	1.2
197.09578	3.3
197.86472	0.9
199.11159	0.9
199.32005	0.8
204.09288	4.5
205.08539	1.7
207.08038	4.6
207.11655	3.6
208.08769	5.4
208.12276	1.0
209.09618	5.8
209.13257	23.0
211.11211	3.2
219.11699	6.7
221.09573	10.0
222.10385	32.2
227.14317	4.4
237.12729	82.8
251.17928	2.1
255.13782	3.8
264.14658	0.9
276.08215	0.9
279.17178	1.0
297.14813	11.3
297.18393	4.7
357.09702	2.6
357.16904	100.0
357.20551	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	357.1694
Annotation	Juglanin A
Peak:m/z	Relative Intensity
51.75207	1.3
57.61364	1.7
60.57392	1.3
67.05519	1.5
68.03765	1.6
72.00215	1.7
81.07043	8.2
83.07272	1.5
84.50935	1.6
93.07018	2.3
96.56733	1.4
105.03403	2.3
109.06543	22.2
117.06993	2.3
133.10107	1.9
136.33963	1.7
139.86414	1.8
143.08580	1.8
145.06505	8.9
146.07295	9.0
147.08093	1.8
151.39825	1.9
155.08524	2.2
157.10139	3.1
159.08076	10.6
165.06964	3.1
167.08517	3.6
171.08034	1.5
173.09610	2.9
179.08490	3.1
181.10118	18.8
193.10208	2.8
194.10875	3.8
195.11737	7.0
199.07602	2.0
199.11150	10.3
203.08586	1.8
204.01228	1.6
204.09370	11.8
207.08012	2.8
207.11623	2.0
209.09630	2.0
209.13266	9.7
211.11237	6.3
212.11932	2.6
213.08917	2.2
213.12628	13.8
216.46791	2.0
219.11664	8.4
222.10364	24.1
227.14314	10.4
237.12714	81.1
240.11331	3.4
255.13762	100.0
297.14865	3.5
297.18469	6.4
357.20511	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	357.1695
Annotation	Juglanin A
Peak:m/z	Relative Intensity
50.49890	0.8
51.06200	0.9
51.16109	0.9
55.05503	2.6
67.05519	3.6
69.03426	4.5
79.05488	1.4
81.07053	4.8
82.49430	1.0
83.04978	4.1
91.05458	4.3
93.07037	4.2
95.08649	1.4
96.93464	1.0
97.43616	1.0
105.07022	6.7
107.08588	1.7
109.06533	4.8
114.14722	1.1
116.75330	1.1
117.07016	2.2
119.08590	7.8
121.06524	1.6
131.08574	2.2
133.10133	4.8
135.08054	2.2
139.73566	1.1
141.07045	1.2
142.07851	1.0
143.08571	6.4
145.06465	5.9
145.10158	1.5
147.08060	4.0
149.09637	5.0
155.07130	1.1
155.08591	4.2
157.10074	7.7
159.08049	6.1
159.11661	1.9
161.09570	9.2
165.07043	4.2
166.07788	1.8
167.08565	11.8
169.10069	3.8
171.08064	4.1
171.11690	2.0
173.09650	6.0
178.07797	1.1
179.08524	7.4
180.09357	4.3
181.10132	20.8
183.11749	1.6
185.09692	5.5
187.11200	15.0
191.08559	1.3
193.10091	8.4
194.10954	7.9
195.11699	12.6
196.08836	5.6
197.09592	6.0
199.11241	5.7
203.08482	1.5
204.09270	9.9
207.08049	4.3
208.08859	2.1
209.09622	5.5
209.13243	18.0
211.11186	5.6
212.12057	1.6
213.09174	1.4
213.12666	5.2
219.11665	19.2
221.13289	2.1
222.10381	24.9
223.11127	4.8
227.10568	4.1
227.14336	6.6
235.11099	1.1
235.14755	1.2
236.11874	2.4
237.12717	73.7
239.14336	1.4
240.11465	1.3
249.12778	1.1
251.17874	1.3
255.13774	22.6
261.16455	1.5
264.15088	1.6
269.18771	1.5
279.17352	12.5
284.06735	5.7
297.15198	1.9
297.18546	11.1
299.05496	1.8
315.15912	100.0
315.19321	5.8
316.16251	5.1
347.38351	1.1
357.09641	39.3
357.13657	2.5
357.20502	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58560	0.8
59.44794	0.7
66.72939	0.6
70.05880	0.8
70.84360	0.7
72.01670	0.7
78.53111	0.7
85.02887	0.7
137.06004	3.7
147.04413	1.2
149.05998	0.9
163.07484	0.7
171.11632	0.7
175.07724	0.9
177.05421	3.0
185.04376	0.7
189.91254	0.7
195.06482	5.7
203.05263	20.3
205.08632	0.8
291.31256	0.8
357.11816	2.9
357.18793	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	357.2035
Annotation	TMC 96
Peak:m/z	Relative Intensity
54.30133	0.9
72.79347	1.0
74.78235	1.0
92.17828	1.4
110.29053	1.1
132.50546	1.0
158.84650	1.2
198.20648	1.0
223.22258	1.1
237.12878	1.3
279.03668	1.1
315.15952	1.3
315.19458	1.8
316.19562	12.1
357.20361	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	357.2058
Annotation	Crocetine dimethyl ester
Peak:m/z	Relative Intensity
55.04667	2.5
55.05496	3.6
57.03438	3.4
69.07064	3.2
79.05480	4.2
81.07061	6.9
83.08618	2.9
91.05457	4.7
92.18523	4.5
93.07033	7.0
95.04969	3.7
95.08625	5.2
97.06561	4.1
104.89395	2.8
105.03389	12.9
105.07016	16.2
107.08582	12.3
119.08593	20.8
121.06494	4.0
121.10148	5.4
123.08057	2.9
129.07014	3.7
131.08574	6.2
133.10110	11.7
135.08052	5.6
143.08563	15.6
145.10085	15.6
147.08131	4.6
149.09676	2.9
155.08528	11.7
157.10167	23.8
157.71555	2.9
159.07881	3.8
159.11708	12.3
161.09628	13.4
165.06982	3.1
167.08546	4.1
169.10120	12.2
170.12617	3.0
171.07964	3.7
171.11685	13.0
173.09641	6.5
173.13196	4.3
179.08598	5.5
181.10091	17.4
183.11699	10.8
187.11189	6.2
189.09076	3.3
192.02194	2.6
193.10170	5.5
195.11736	16.9
197.13235	14.4
199.11160	15.6
199.14687	3.9
201.12848	3.0
203.40021	3.1
207.11687	7.1
209.13304	17.1
211.11153	6.6
211.14687	4.0
213.12891	4.2
220.12492	3.8
221.13231	5.8
223.11255	3.1
223.14729	3.0
225.12596	4.6
231.27910	3.3
233.13255	4.0
235.14816	2.8
237.12682	10.3
237.16545	3.0
239.14328	5.7
241.15805	3.4
246.14056	3.8
251.17943	3.0
253.15894	12.3
261.16336	6.1
264.14951	3.7
269.18906	7.1
279.17398	17.6
297.18524	57.9
315.19507	11.9
357.20575	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	357.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54341	1.9
60.81029	2.0
66.54220	2.1
67.05495	3.6
71.47466	2.2
79.05489	3.5
81.07047	10.5
84.17352	2.5
91.05479	4.3
93.07026	9.3
95.04975	5.3
95.08616	4.6
97.06524	3.0
104.26411	2.2
105.07019	14.9
107.08637	10.3
109.06513	5.1
109.10165	3.8
115.73004	2.1
119.08546	10.7
121.06494	4.0
121.10133	5.4
121.89401	2.5
123.08056	3.1
129.07031	3.4
131.08580	11.6
133.10135	4.9
135.08066	3.8
137.09616	21.1
143.08546	11.4
144.32104	2.3
145.06497	5.0
145.10194	4.4
147.08044	9.2
149.09595	9.0
154.07834	2.6
155.08572	14.8
157.10104	12.8
159.08018	4.9
159.11732	5.7
161.09601	9.6
167.08499	4.7
169.10161	11.7
171.11681	15.1
173.09612	5.2
173.13307	4.2
175.11182	10.3
179.08595	5.7
180.09317	3.7
181.10115	18.2
183.08064	3.4
183.11681	18.6
185.09589	11.5
187.11259	5.2
189.12749	4.0
193.10147	9.3
194.11040	3.1
195.11745	19.2
197.09586	3.5
197.13266	3.5
199.11186	14.2
201.12735	3.8
206.11008	2.7
207.11665	10.8
209.09486	3.1
209.13301	11.6
210.10249	3.3
211.11221	8.4
211.14835	2.9
213.12740	12.1
217.09930	2.6
219.11681	3.1
221.13303	5.7
222.10439	10.1
223.11208	3.4
223.14734	2.5
225.12729	5.0
227.14275	9.1
235.14751	3.3
237.12730	34.1
237.16377	5.8
239.14229	3.0
241.15906	3.5
246.14151	2.6
251.17926	10.3
253.16031	3.2
255.13702	33.5
267.17499	15.2
269.19022	12.7
279.14774	2.4
279.17471	24.0
297.18454	54.6
315.19498	20.0
357.16791	3.9
357.20554	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	357.206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	3.7
79.53454	3.2
81.07064	12.2
91.05463	18.8
93.07035	17.2
95.08585	5.6
101.95877	2.9
105.07030	36.5
107.08559	13.6
109.06532	13.9
111.08100	3.5
117.07007	4.9
119.08595	57.2
121.06500	11.9
121.10143	4.0
127.22049	2.9
128.06244	3.7
129.07014	3.5
131.08574	14.1
133.10132	33.6
135.08066	13.7
135.11636	3.7
137.09592	7.3
141.06992	3.9
142.07762	3.6
143.08554	35.5
145.06511	6.8
145.10129	21.7
147.08070	13.3
149.09610	7.4
155.08566	4.9
157.10156	25.5
159.08089	22.4
159.11694	5.8
161.09639	50.2
165.07039	3.5
167.08510	5.6
169.10110	18.7
171.08092	5.5
171.11661	18.6
173.09592	22.9
173.13252	3.9
175.11185	6.1
180.09381	4.9
181.10132	20.7
183.08005	3.7
183.11717	5.3
185.09590	7.1
185.13280	5.0
187.11153	36.7
193.10170	12.0
194.10979	4.3
195.11707	31.1
196.12413	3.7
199.11082	7.6
207.11754	14.2
209.09627	5.3
209.13295	21.1
211.11234	12.2
213.12766	15.8
219.11546	5.1
221.09663	3.3
221.13293	12.7
223.11163	21.7
223.14891	5.0
223.63708	3.3
225.12679	4.5
227.14299	5.5
232.12593	3.9
235.14874	4.1
236.15385	3.9
237.12718	30.5
237.16426	6.7
246.14201	6.2
249.12637	5.6
251.17931	11.4
253.15761	4.0
255.17534	4.8
261.16385	5.4
264.15042	6.9
269.19012	6.8
279.17401	63.8
297.18484	56.6
301.13718	3.3
315.15918	21.7
315.19617	28.0
339.19489	4.1
357.20560	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	357.206
Annotation	Liphagal
Peak:m/z	Relative Intensity
57.06561	1.7
59.42056	1.7
61.48859	1.5
68.12972	1.6
79.05514	2.9
81.07045	6.4
83.04965	2.1
88.55782	1.7
91.05502	4.1
93.07030	3.3
95.04963	2.2
95.08587	3.8
97.06532	4.2
105.03399	3.8
105.07021	10.3
107.08556	9.6
109.06499	8.7
109.10143	3.3
111.08104	2.0
119.08566	25.3
121.06525	3.1
121.10149	7.5
123.08044	3.1
129.06964	2.2
131.08565	8.2
133.10124	16.5
135.08023	4.4
137.09717	2.0
143.08513	15.9
145.10081	12.7
147.08076	2.8
147.11642	3.5
149.09631	4.1
149.46794	2.0
155.08565	3.0
156.09314	2.7
157.10107	13.3
159.07996	2.1
159.11687	7.0
161.09636	7.2
169.10106	3.9
171.11667	21.0
173.09622	4.4
175.11177	3.4
181.10098	4.0
183.11719	4.0
185.13261	8.3
187.11230	3.0
195.11696	4.1
197.13284	7.5
199.11192	10.8
207.11668	2.6
209.09596	2.2
209.13197	4.4
213.12781	2.1
221.13284	3.5
223.11266	3.1
223.14835	3.5
225.12695	2.8
227.10794	2.4
229.12135	1.9
235.14647	2.1
237.16414	2.7
243.84932	2.0
247.14952	2.4
251.14215	1.9
251.17946	12.7
256.67850	1.9
269.19092	8.6
279.17389	9.9
283.16852	2.8
297.18466	26.2
315.19519	3.9
339.19583	7.1
357.17090	6.0
357.20590	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	357.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.2
56.88210	2.0
62.53104	1.9
67.77811	2.1
69.07057	5.4
72.54666	2.5
81.07058	4.1
83.08612	3.1
88.24643	2.6
91.05489	3.7
93.07024	10.9
95.04967	3.6
95.08595	3.3
97.06490	5.3
102.62057	2.4
105.03403	19.9
105.07018	14.4
107.08579	5.6
108.15587	2.3
109.10159	6.1
111.08105	4.9
112.24130	2.5
119.08573	5.5
121.06541	3.0
121.10163	20.3
123.08106	3.5
129.06920	3.8
131.08533	12.9
133.10165	11.8
134.41096	3.0
135.08069	5.7
137.09566	3.9
143.08553	13.8
145.10146	18.7
147.08025	5.3
149.09709	3.0
155.08580	10.3
156.09308	3.0
157.10155	14.3
159.11638	4.1
161.09544	3.7
169.10089	5.4
171.11737	11.0
173.09644	3.9
173.13206	3.5
175.99236	2.6
178.04845	2.6
179.08592	4.0
180.09409	2.4
181.10117	14.8
183.11659	10.2
185.09578	5.0
185.13210	2.4
187.11212	3.1
193.10208	4.3
195.11705	14.0
197.13271	5.0
199.11234	24.8
201.12692	2.8
207.11726	3.6
209.13274	4.8
213.12709	5.7
221.13156	2.8
225.12761	3.1
227.10698	3.4
237.16360	3.2
241.15991	3.7
251.17949	4.4
253.15814	2.6
255.13737	2.6
255.17311	3.6
269.19070	17.3
274.15100	11.6
276.78763	2.2
279.17404	6.0
297.18475	42.7
315.19537	17.5
316.19879	99.7
357.20551	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	357.206
Annotation	Unknow
Peak:m/z	Relative Intensity
75.55853	0.4
81.07039	2.7
83.04962	0.8
91.05457	0.5
93.07047	1.0
95.08578	1.1
96.58607	0.5
102.40545	0.5
103.22225	0.5
105.07019	2.1
106.81701	0.4
107.08585	1.9
109.06495	1.8
117.07050	0.8
119.08580	3.8
123.08038	0.6
131.08513	0.8
133.10130	3.0
142.07829	0.9
143.08549	2.3
145.06458	0.8
145.10072	1.1
147.08069	0.8
149.09618	2.9
155.08585	0.8
157.10080	2.2
159.08017	0.9
159.11658	1.0
161.09621	4.5
161.10736	0.6
165.79858	0.4
167.03358	0.7
167.08510	1.1
169.10086	2.2
171.07996	0.6
171.11794	1.6
173.09637	2.8
175.11214	0.8
179.08434	0.7
180.09340	1.0
181.10091	3.1
183.11679	0.6
185.09641	1.9
187.11200	9.2
189.12607	0.5
193.10072	1.7
194.10866	1.0
195.11707	4.2
197.09633	0.7
199.11200	1.8
207.11623	0.6
208.12349	0.7
209.09560	0.6
209.13242	2.6
211.11217	0.8
213.12709	2.0
219.11624	0.8
220.12424	0.6
221.13322	1.9
222.10336	2.2
222.14030	0.5
223.11212	3.2
223.14790	0.6
227.14233	0.7
236.11983	0.5
237.12717	8.9
237.16350	0.9
249.12686	1.7
251.18019	0.9
253.15942	0.8
255.13705	1.8
255.17615	0.9
256.07324	1.0
261.16327	0.5
264.15118	1.1
269.19012	0.8
279.17392	9.5
284.06732	13.9
297.18442	7.8
298.08322	0.9
299.05499	7.6
314.07773	2.1
315.15881	7.1
315.19550	3.2
339.19547	0.6
342.07339	2.3
357.09656	100.0
357.20520	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	357.2058
Annotation	Crocetine dimethyl ester
Peak:m/z	Relative Intensity
67.05530	2.1
67.18449	1.9
69.07053	10.4
79.05478	2.8
81.07051	3.0
83.08616	3.1
90.78906	2.0
91.05486	9.0
92.17918	3.8
93.07034	11.6
95.08598	8.8
105.07035	4.3
107.04987	3.1
107.08600	4.4
109.06519	4.4
109.10145	3.8
111.08083	2.1
119.08587	12.1
121.06518	4.4
121.10138	2.4
123.08099	2.4
128.06215	2.4
129.06979	4.7
131.08563	16.3
133.10051	7.4
143.08571	16.7
145.10078	5.0
147.08014	3.2
147.11693	2.8
149.09579	3.9
155.08549	8.0
157.10156	15.3
159.08031	2.9
159.11674	4.1
161.00710	2.2
161.09570	4.7
163.11212	2.3
166.07780	3.1
167.08565	2.2
169.10085	18.5
171.08012	4.7
171.11664	16.7
173.09625	2.7
181.10062	21.2
182.10968	2.4
183.11647	4.4
185.09589	8.3
185.13242	4.4
187.11201	2.2
195.11662	5.1
197.09602	3.0
197.13274	2.7
199.11192	47.8
203.89354	2.2
209.13304	9.4
213.12772	3.7
221.13364	2.2
223.11337	2.8
225.12766	3.7
227.10718	9.6
235.14799	2.6
237.16292	3.0
251.17790	2.5
269.18869	2.7
279.17361	4.8
297.18445	34.3
315.19543	12.0
357.20563	100.0
361.55048	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.62023	5.7
55.05512	29.6
56.91967	5.1
57.03432	7.5
57.07072	34.0
66.82202	5.4
67.05508	51.6
69.07071	70.1
71.08635	16.0
79.05481	24.9
81.07047	70.2
83.08623	53.4
85.10200	6.1
92.17914	6.8
92.58310	6.1
93.07009	24.7
95.08617	83.2
97.06513	14.8
97.10146	52.2
99.08051	8.1
107.08592	38.4
109.10136	29.7
111.11729	25.3
121.10148	53.0
122.24834	6.2
123.11660	11.9
127.31118	6.4
135.11696	72.1
148.08778	7.1
149.13281	28.4
151.14778	10.2
163.14775	7.8
247.24223	81.8
265.25211	100.0
283.26410	15.4
339.28839	61.1
357.13037	7.9
357.29993	30.7
357.35553	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	1-Oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
52.66463	1.4
55.01886	1.9
55.05521	26.6
57.03431	8.9
57.06852	1.9
57.07082	28.3
58.45183	1.4
62.68024	1.6
65.63512	1.7
67.05511	34.1
69.07072	65.1
70.06612	3.4
71.08633	25.0
73.06909	1.5
76.12586	1.4
79.05498	17.6
80.17845	1.7
81.07063	59.7
83.08622	48.4
85.06532	1.7
85.10168	8.9
88.07632	11.2
91.05446	1.8
92.18605	2.6
93.07037	33.5
95.08606	60.8
96.36429	1.8
97.06525	17.3
97.09592	2.5
97.10170	34.6
99.08102	2.7
102.09198	2.7
105.07051	3.2
106.08659	8.4
107.08585	36.4
109.10158	35.1
111.08069	9.3
111.11721	9.1
111.86115	1.8
121.10134	63.8
123.11693	11.2
125.09627	4.2
133.10168	6.5
135.08055	2.3
135.11693	48.1
137.13295	2.5
139.11255	2.2
145.51460	1.8
149.13252	21.3
151.14807	6.8
163.14825	8.0
165.16316	2.8
177.16438	2.2
209.18980	2.5
247.24203	49.3
265.25266	68.5
279.17447	2.4
283.26260	13.8
297.18445	3.4
339.28931	36.7
339.34485	8.6
357.20724	15.7
357.30142	18.6
357.35574	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.44815	6.1
54.22279	4.8
55.05529	42.3
55.05746	4.7
55.63738	5.0
57.03440	7.9
57.07067	29.1
62.75014	5.3
62.90398	5.6
67.05502	54.1
69.07069	75.1
71.08618	10.5
79.05488	22.8
81.07052	74.0
83.08597	53.5
85.10155	11.1
87.87988	6.1
93.07030	25.0
95.08610	76.9
96.77084	5.5
97.06519	35.2
97.10157	39.2
107.08585	36.4
109.10143	32.6
111.08088	7.8
117.92661	7.4
121.10143	75.2
123.11704	8.2
135.11714	67.0
137.13231	7.3
149.13274	31.7
235.23450	6.4
246.58707	7.0
247.24229	49.9
265.25287	100.0
282.33768	6.2
283.26364	10.2
339.28900	48.7
357.13083	7.2
357.29907	12.4
357.35440	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	358.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30582	0.8
59.99862	1.0
61.79427	0.9
69.03423	1.8
71.06997	0.8
74.01115	0.8
75.13426	0.8
76.61383	1.0
82.60233	0.9
84.08142	1.2
100.65657	1.0
107.04906	1.0
124.02464	1.0
127.03880	1.2
129.86736	1.1
137.05934	3.6
178.08572	1.2
196.03691	16.6
196.06046	4.4
196.09714	1.3
251.65207	1.0
352.22205	1.1
358.08954	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	358.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12462	0.8
51.36157	0.9
51.57798	0.9
54.42406	0.9
69.03415	1.2
72.88326	1.3
81.03418	7.5
85.02880	2.0
85.72908	1.1
91.05459	1.5
93.34069	1.1
97.02885	1.1
106.02908	16.9
109.02891	1.7
119.04974	8.8
124.03938	32.8
127.03812	1.2
147.04404	100.0
163.03906	2.2
164.04164	2.3
166.35620	1.3
196.04219	1.7
201.14825	1.2
238.20013	1.2
250.07068	5.4
268.08157	16.5
353.46097	1.4
358.15625	8.3
370.53970	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	358.1496
Annotation	Bakankoside
Peak:m/z	Relative Intensity
57.03425	1.5
61.02916	2.3
69.03413	5.9
69.64668	0.9
73.02891	1.3
74.59892	1.0
81.03436	3.2
85.02394	1.0
85.02901	23.9
86.01061	0.8
87.04450	1.8
91.05475	70.2
92.18478	1.1
93.28230	0.9
94.93695	0.9
97.02887	9.2
103.05452	1.2
109.02830	4.5
119.04916	10.6
120.08088	40.0
127.03872	3.8
132.08093	12.3
145.04886	1.4
147.04422	1.3
148.07574	7.2
150.06715	1.3
159.19130	1.0
159.60002	1.0
160.07579	9.7
166.08624	0.9
170.50621	1.0
178.08603	13.1
196.09680	100.0
303.16840	0.9
318.43625	0.9
358.10577	5.0
358.14886	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	358.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
69.03416	8.6
73.06525	1.3
78.03446	5.7
81.03414	14.8
85.02911	16.3
97.02883	5.0
99.04447	4.2
106.02197	2.0
106.02919	64.0
109.02888	11.5
124.03948	100.0
126.93913	1.0
127.03928	7.5
166.05002	2.2
196.07547	1.1
232.06053	5.7
250.07082	13.9
268.08121	46.6
358.14908	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	358.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89552	0.7
54.20224	0.7
57.03420	1.1
59.01440	0.9
61.02922	1.4
67.61806	0.7
69.03415	3.9
71.04975	1.0
72.08188	0.9
73.02924	1.2
81.03430	7.0
84.08136	1.9
85.02882	5.0
86.06044	4.1
87.04452	1.5
91.05487	3.6
97.02882	3.5
98.97565	1.1
106.06496	1.1
109.02883	8.9
113.06026	1.4
117.05723	1.6
122.05991	2.1
124.03956	1.1
127.03917	1.9
130.06465	1.0
132.06558	1.5
132.08073	7.9
136.07555	5.7
136.41710	0.9
147.06703	1.4
148.07565	25.4
150.05534	1.7
150.09109	11.2
160.07568	50.0
166.08653	1.1
178.08620	90.3
193.06961	1.2
195.08643	1.0
196.09677	50.3
204.71770	1.0
219.01875	1.1
222.07605	1.0
226.08353	1.4
231.30826	0.9
245.11432	1.2
251.07494	4.2
261.06326	0.9
277.09351	1.3
311.09460	3.9
311.13354	1.1
329.10992	1.6
340.12656	4.3
358.14935	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	358.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
57.03431	12.2
57.03668	1.3
61.02919	9.0
61.98851	1.5
69.03148	1.5
69.03435	25.1
70.06598	3.1
71.41082	1.4
73.02920	68.3
73.56922	1.4
81.03452	2.2
85.02386	2.9
85.02905	85.5
87.04461	16.1
91.03940	6.8
91.05459	12.2
97.02895	51.2
99.04450	3.9
100.73151	1.7
109.02876	7.0
111.22123	1.7
112.59415	1.5
115.03927	35.0
116.07059	1.9
119.04890	1.9
120.08097	6.5
123.06820	6.9
127.03909	28.5
132.08086	74.4
132.09085	3.0
133.04967	32.4
145.04974	42.5
148.07573	2.2
150.05582	1.6
158.09299	2.3
160.07559	2.9
161.01468	1.5
163.06009	25.3
166.08621	3.7
178.08617	36.7
196.09692	100.0
209.10202	9.3
226.12967	1.9
259.07986	11.6
277.08987	1.9
295.10291	16.8
327.92636	1.7
358.10779	3.9
358.14603	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76461	0.9
62.33136	0.9
67.05492	4.7
67.11826	0.9
69.07060	4.0
70.06593	11.4
72.08147	1.6
73.06560	1.7
76.30775	0.9
82.06569	12.2
84.08137	9.6
85.06498	1.1
86.09683	4.5
94.06555	2.5
95.04961	2.3
102.09171	19.2
109.07643	6.7
109.60590	1.0
110.06039	13.0
112.07601	49.0
118.60894	1.1
125.07107	15.5
126.05486	1.3
127.08659	12.3
131.32581	0.9
132.10265	1.6
136.11261	1.8
137.06033	2.2
137.07072	15.5
138.05504	30.2
138.06512	1.6
148.16197	1.0
152.09390	1.2
153.06476	1.3
155.08145	100.0
164.10704	31.9
181.13329	12.5
209.12851	26.8
220.37473	1.1
227.13889	84.4
229.83777	1.0
358.23145	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	359.1489
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.81232	1.7
57.45307	2.0
62.73685	1.7
65.26007	1.9
95.08591	2.3
105.07019	3.7
107.08512	2.4
109.06488	2.5
111.02552	2.3
113.34735	2.2
117.07013	3.3
119.04871	3.7
122.03680	2.4
129.07025	4.0
131.04948	2.6
131.08548	3.1
133.06511	9.4
137.05977	100.0
138.40747	2.1
147.04424	5.0
149.05980	9.3
151.07570	8.7
161.05971	79.3
161.07268	3.9
163.07558	16.1
165.07034	3.5
175.07538	22.4
179.07024	8.1
179.08554	2.0
187.07549	35.6
191.07039	9.5
191.08499	6.1
193.06474	9.2
194.07286	10.9
197.09613	2.3
205.06470	8.7
205.08617	22.9
207.08189	4.4
211.07527	3.8
217.08527	14.6
219.08101	9.5
220.08707	2.3
221.06039	17.7
222.06740	12.6
224.08348	3.6
225.09120	14.6
236.08264	2.5
237.09164	22.6
239.06963	5.0
239.10663	3.8
250.06148	2.9
251.10614	8.1
252.07730	2.4
253.08563	15.7
264.07666	3.3
265.08563	71.5
267.10168	16.6
271.09586	4.2
279.10129	17.1
282.08932	2.5
285.11218	37.9
291.10187	2.5
297.11230	41.7
299.12885	4.0
305.12195	2.3
311.12741	37.2
315.12216	53.7
322.78522	2.2
323.12848	3.7
329.13934	4.0
341.13727	13.0
342.64438	2.3
359.14694	18.7
359.21906	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	359.1487
Annotation	Matairesinol
Peak:m/z	Relative Intensity
52.52285	0.3
56.20275	0.3
60.70261	0.4
78.09980	0.3
79.05496	0.6
91.05477	0.4
103.05463	1.7
105.03448	0.4
107.04947	0.6
107.08648	0.4
109.06514	0.5
121.06500	0.5
122.03636	1.9
129.07011	0.4
131.04929	12.0
135.08046	0.4
137.05975	100.0
138.06303	0.6
138.35651	0.4
138.85165	0.4
145.06538	0.6
145.10237	0.5
147.04414	0.8
149.05974	0.8
151.03886	0.9
151.07532	0.9
163.07550	4.9
165.05428	1.4
171.11784	0.5
175.07561	1.5
177.05493	0.9
177.09117	0.5
178.06152	0.4
179.07051	0.7
189.09157	0.8
191.06987	0.5
203.08551	0.9
205.08844	0.6
209.13321	0.4
223.09616	0.8
231.07968	2.5
248.08336	0.8
259.07822	0.7
263.10666	3.6
276.07797	0.6
291.10092	3.9
299.12726	0.4
299.20056	0.4
305.11755	1.7
323.12784	3.6
341.13831	11.7
341.17871	0.7
359.07684	3.5
359.14856	3.9
359.21939	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	359.1488
Annotation	Matairesinol
Peak:m/z	Relative Intensity
54.50949	0.3
71.70267	0.3
73.40124	0.4
81.07042	0.8
93.07036	0.5
95.08611	0.4
103.05453	1.4
105.07072	0.6
107.08551	0.6
109.06522	0.6
121.06545	0.5
122.03619	2.2
131.04915	11.6
133.10088	0.5
135.11691	0.4
137.05972	100.0
145.06374	0.6
147.04395	0.4
149.05978	0.9
149.07446	2.1
151.03906	0.6
151.07523	1.8
157.06491	0.8
163.07516	6.6
165.05463	2.1
165.54430	0.4
172.48372	0.5
175.07639	0.6
175.11159	0.4
177.05481	1.6
177.09174	0.4
178.06380	0.5
179.07054	0.8
189.09116	1.5
203.08609	0.9
205.08568	0.5
217.08588	0.5
223.09644	2.1
228.65802	0.4
231.08090	2.0
236.50165	0.4
259.07300	0.4
262.64279	0.4
263.10648	4.1
273.76083	0.4
276.07977	0.7
281.11768	0.4
291.10162	5.3
293.39511	0.4
305.11664	1.8
318.21457	0.5
323.12750	6.3
341.13803	15.2
359.15103	4.8
359.21948	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73722	0.3
69.87580	0.3
78.03638	0.2
91.05434	0.4
103.05439	1.1
105.07011	0.6
106.04180	0.5
119.04939	0.4
121.06514	2.1
121.09144	0.2
130.34059	0.3
131.04907	1.0
133.06450	1.4
134.07225	0.3
137.05978	1.4
146.07275	1.8
147.08026	0.3
149.05992	3.4
161.05977	1.4
162.06772	1.1
163.03700	0.3
165.05396	0.9
177.05438	3.0
177.09077	2.1
211.07518	0.3
236.08270	0.4
237.09189	0.6
239.07022	0.6
251.07211	0.4
251.10596	0.6
253.08646	0.6
254.09357	2.0
265.08582	1.2
266.09329	0.4
279.10086	0.5
281.08051	2.4
282.08835	16.4
295.09549	0.4
296.10437	4.9
297.11191	100.0
311.12732	2.7
322.88565	0.3
323.12729	5.7
341.13794	3.2
359.14868	8.4
383.74167	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	359.1491
Annotation	Leptolide
Peak:m/z	Relative Intensity
58.45525	1.0
72.61112	1.0
73.01604	1.1
79.32343	1.3
81.44157	1.2
85.74361	1.2
115.49668	1.1
131.04988	1.4
137.05963	8.0
147.04477	1.2
179.08582	1.3
181.06502	1.8
183.89804	1.3
191.08511	7.8
193.06541	1.4
194.07280	1.5
200.17690	1.3
203.08623	2.1
205.06509	5.6
206.07257	1.5
207.08014	4.8
209.09528	5.0
218.06905	1.3
219.08028	19.7
221.06013	2.9
221.09544	2.1
222.06750	11.9
224.08315	1.4
225.09033	1.9
231.08060	6.2
233.06001	4.7
235.07587	5.8
235.11168	1.4
236.08302	5.9
237.09077	17.3
239.07016	2.9
245.09656	2.2
247.07524	13.2
248.08195	6.4
248.10568	1.3
249.09006	1.7
250.06113	2.7
251.07011	1.3
251.10625	5.6
252.07831	1.8
253.08470	2.4
259.07504	10.3
260.08334	1.8
263.10611	3.0
264.07858	2.9
265.08569	83.5
267.10077	8.6
270.08575	1.4
271.09647	6.1
276.07675	4.6
278.09387	1.3
279.10153	17.4
282.08762	5.6
283.09805	1.6
285.11154	1.9
291.10138	9.7
294.08047	1.4
296.10303	1.4
297.11203	67.5
308.10324	2.9
311.12714	7.5
317.99213	1.8
323.12766	14.1
341.13773	19.5
359.14825	100.0
376.90973	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
57.03437	0.5
66.71856	0.4
68.05284	0.4
69.03406	0.9
85.02901	5.8
86.09708	1.0
91.05461	0.7
91.57095	0.4
93.07030	2.8
95.04932	0.6
97.02826	0.8
97.33170	0.5
105.07037	0.8
107.08582	10.4
109.10158	0.8
119.08542	0.9
121.06480	2.1
133.10124	8.4
135.11682	24.7
137.05995	3.5
137.09589	1.0
145.05037	0.5
148.40508	0.5
151.11122	1.8
152.01096	0.5
160.86638	0.4
161.09596	10.7
165.23631	0.5
169.18195	0.5
175.07489	0.5
179.10652	41.7
183.47661	0.5
197.11716	100.0
229.84373	0.5
335.60291	0.5
349.79227	0.5
359.12503	0.6
359.16812	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	359.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
81.14385	0.8
84.71147	0.8
90.25974	0.9
137.06006	3.3
221.07829	60.0
269.08182	1.1
359.18274	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	359.1851
Annotation	(+)-Ar,11S-Myricanol
Peak:m/z	Relative Intensity
56.59878	2.0
65.71250	2.1
67.05517	2.3
70.11991	2.0
77.86149	2.3
81.07056	4.6
83.04983	4.5
91.05473	3.0
93.07053	5.7
95.04993	3.3
95.08589	10.8
95.63467	2.4
97.06480	3.4
105.07017	14.1
107.08564	18.8
109.10160	12.1
111.08047	3.7
117.07001	2.7
119.08539	17.7
121.06527	3.6
121.10116	9.9
123.08061	8.8
123.11675	4.4
129.38217	2.4
131.08556	3.9
133.10129	14.5
135.08043	4.8
135.11681	10.4
137.05984	3.1
143.08537	4.7
145.10071	8.7
147.08020	3.2
149.09631	4.7
155.08554	3.2
157.10095	5.1
159.11661	5.2
161.09692	5.6
163.07585	4.1
165.07030	2.6
169.10136	9.9
171.11749	4.2
173.09610	4.8
177.08815	2.6
181.08636	3.3
183.11681	9.9
185.13226	3.6
188.74184	2.8
189.12746	2.8
193.10141	5.2
197.09590	3.6
197.13356	10.2
203.14326	4.5
209.09673	2.5
211.11163	9.2
213.09206	3.0
218.80161	2.4
219.10204	4.5
221.09564	5.3
223.14865	3.3
225.08925	3.0
225.12547	3.2
229.12099	3.9
235.14865	3.5
237.09047	4.4
239.10739	3.9
239.14293	4.3
239.17894	4.4
241.08665	2.8
245.11760	3.3
249.08920	2.8
253.12196	5.0
253.19511	4.9
255.10086	5.3
256.10846	4.0
257.11591	2.6
257.15530	3.2
257.19012	4.7
265.12280	3.1
270.12479	2.9
271.13446	2.8
271.17068	2.3
271.20441	4.1
280.10693	3.4
281.11734	9.7
281.15073	2.4
281.18988	5.9
295.16965	3.5
298.12054	3.0
299.12833	11.1
299.16797	5.2
299.19855	23.4
308.13739	3.0
313.17917	5.3
317.21188	10.0
323.16449	12.2
341.17590	25.9
341.21140	5.6
359.14847	6.1
359.18393	84.1
359.22141	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	359.185
Annotation	CHEBI:68159
Peak:m/z	Relative Intensity
55.05513	1.0
59.54449	1.1
60.32523	0.9
65.03930	1.3
69.03418	2.3
69.07061	4.4
69.54490	1.0
69.65778	1.1
77.03877	1.2
81.03408	1.5
81.07040	2.1
91.05450	1.3
93.07020	4.7
95.04935	2.2
95.08592	2.3
97.06502	1.3
105.07002	7.2
107.08581	2.5
109.06464	1.4
109.10146	2.1
117.70638	1.1
119.08562	7.3
119.53603	1.2
121.06477	4.5
121.10120	2.5
123.11726	2.0
129.06985	1.5
133.06503	1.8
133.10118	12.4
135.08066	1.4
137.05965	2.4
137.13245	1.5
143.08530	7.0
145.10130	2.2
147.11826	1.2
149.09599	1.7
155.08548	6.9
157.10106	6.7
159.07973	4.2
159.11681	1.7
161.09579	6.2
163.07492	1.4
167.08615	2.1
168.09392	1.4
169.10086	7.6
171.08083	1.9
171.11671	2.5
173.13266	2.2
175.11124	2.0
179.08578	2.4
180.09372	1.7
181.10127	2.7
183.11665	7.3
185.09531	1.6
185.13258	4.9
187.11124	2.3
193.10052	2.0
194.10905	1.7
195.11652	1.7
196.12341	1.4
197.09567	2.7
197.13234	2.8
199.07480	1.6
199.11208	2.4
199.14746	1.3
201.12729	2.4
203.14343	1.7
208.12422	1.6
209.09550	1.4
209.13261	4.9
211.11140	5.7
211.14815	2.6
213.12721	6.5
220.12355	2.5
221.13174	4.7
223.11212	1.9
223.14842	2.7
224.11919	2.0
225.12518	1.6
225.16377	1.5
227.14311	8.4
236.12029	1.7
237.12625	1.9
238.13525	2.4
239.14374	5.1
251.14130	2.8
253.15797	4.3
255.13780	2.7
263.14023	1.8
269.15399	4.3
281.15375	5.9
281.18881	4.2
299.16418	10.5
299.20035	6.7
317.21167	4.9
359.18463	100.0
359.22183	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	359.185
Annotation	CHEBI:70697
Peak:m/z	Relative Intensity
52.29853	1.0
59.48033	1.1
67.05508	1.3
67.35180	1.1
69.07066	4.8
80.17413	1.2
81.07033	1.6
91.05490	2.5
93.07017	6.2
95.04939	4.7
95.08564	5.7
105.07011	7.0
107.08574	4.6
109.10117	2.5
119.05003	1.4
119.08571	5.7
121.06480	5.8
121.10071	2.0
123.04422	1.4
123.11719	2.5
123.46604	1.2
129.06912	1.6
131.08543	2.8
133.06448	1.4
133.10184	10.1
135.08063	2.1
135.11673	2.9
137.05965	2.6
143.08565	4.7
145.10068	5.7
147.08026	2.1
149.09613	2.3
155.08539	5.1
157.10100	6.3
159.08020	5.6
159.11697	2.8
161.09586	5.8
163.11162	2.1
169.10071	6.2
170.10916	2.1
171.08122	1.5
171.11707	5.0
173.09625	5.1
173.13242	4.9
175.11247	1.5
179.08505	2.1
181.10075	3.0
183.11690	7.5
185.13191	2.8
187.11172	1.9
193.10112	1.9
195.11676	2.8
196.12372	2.2
197.09511	4.9
197.13271	2.7
199.14755	2.1
201.12761	1.6
203.14299	1.3
206.10895	1.6
207.11673	1.7
208.12321	2.0
209.09727	1.7
209.13239	5.1
211.11160	4.9
211.14783	2.8
213.12677	6.9
220.12433	1.4
221.13300	2.3
223.14859	3.0
225.12675	2.9
225.16469	1.6
227.14232	7.1
236.11977	1.9
237.12624	1.5
238.13667	1.9
239.14273	5.9
241.16010	1.2
251.14301	2.5
253.15775	6.8
255.13792	5.2
263.14182	2.6
269.15222	1.7
271.17157	1.5
281.15320	5.8
281.18948	5.3
299.16376	12.2
299.19989	10.6
317.17343	1.5
317.21011	4.5
359.18436	100.0
359.22189	14.2
372.24057	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	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23953	1.3
51.53740	1.3
54.69297	1.9
55.05513	2.7
60.30251	2.0
65.97495	1.6
67.05504	4.1
70.11218	1.6
79.05479	4.3
81.07047	11.5
91.05464	8.3
92.18567	1.7
93.07035	8.7
95.08585	3.4
96.58567	1.9
105.07030	9.0
109.06496	12.6
119.08562	4.4
129.07013	8.1
131.08569	9.0
141.06946	2.9
143.08548	11.1
145.06532	3.1
145.10162	13.0
147.08003	3.7
151.07539	2.0
153.05493	2.6
154.07791	1.9
155.08528	13.9
157.10109	3.5
159.08025	8.0
165.07004	10.4
167.08524	7.6
168.09389	2.2
169.10097	31.9
171.08128	3.0
178.07788	3.4
179.08534	25.3
180.09326	10.5
181.10077	8.2
182.10933	2.0
183.07932	2.3
183.11671	12.0
191.08578	23.1
192.09354	17.1
193.10130	20.7
195.11674	20.2
196.12473	6.8
197.09596	8.4
197.13286	3.8
205.10173	3.9
206.10887	71.0
206.97105	1.9
211.11310	2.6
211.14799	25.6
213.12621	2.4
221.13234	100.0
224.12012	2.2
239.14290	81.2
257.15384	7.3
281.15366	7.7
299.16327	15.6
359.18314	7.2
359.22052	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	359.1851
Annotation	Rosmaquinone A
Peak:m/z	Relative Intensity
55.05498	3.7
62.18259	3.0
69.96898	3.8
73.25102	3.2
81.07027	4.9
91.05480	5.4
93.07053	5.1
109.06499	7.9
115.48634	4.2
119.08575	5.1
120.04077	3.2
121.06522	6.1
129.06981	5.2
131.08548	6.3
143.08594	4.9
143.73288	3.2
145.10168	6.0
147.07957	4.1
155.08559	20.1
157.06483	3.5
157.10109	7.4
157.47707	3.7
159.08005	3.9
165.06964	5.7
167.08614	6.5
169.10158	30.5
169.96375	3.6
171.08038	5.9
178.07797	5.9
178.22896	3.3
179.08568	30.5
180.09366	7.7
181.10132	7.5
182.11015	3.5
183.11667	14.0
185.09430	3.9
191.08632	22.5
192.09384	14.1
193.10109	20.2
195.11722	31.9
196.12363	5.7
197.09604	14.7
205.10240	4.1
206.10887	69.6
211.10963	4.9
211.14758	22.2
212.15169	3.3
221.13242	100.0
239.14293	81.3
257.15234	5.1
269.01221	3.2
281.15195	5.2
299.16434	7.8
317.17227	3.7
318.17740	6.2
350.54309	3.4
359.18567	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	359.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66537	1.8
55.01875	2.5
55.05502	3.4
56.85058	1.8
63.68232	2.0
69.03431	3.5
69.07041	2.6
69.45327	2.3
79.05488	2.9
81.07058	13.7
91.05444	3.6
92.56649	2.3
93.07030	14.0
94.47875	2.6
95.08608	9.0
97.42516	2.3
105.03389	12.3
105.07043	13.2
107.04968	2.3
107.08588	14.1
109.06503	12.7
109.10117	3.0
119.08570	9.8
121.10149	2.3
123.08036	2.2
127.03892	9.4
129.06989	10.0
131.08540	12.2
133.10124	3.8
135.08029	3.2
137.05936	2.6
139.03929	8.8
141.07013	5.1
143.08556	14.9
145.06465	4.1
145.10114	14.8
147.08043	14.4
149.09662	3.0
153.01831	12.3
155.08580	16.7
156.09271	3.3
157.10091	8.6
159.08058	12.0
165.06996	9.2
167.08519	8.3
169.10117	31.7
171.11661	2.7
173.09575	2.9
175.95293	2.9
178.07819	8.7
179.08551	23.3
180.09300	5.3
181.10153	11.8
182.10907	3.3
183.11659	24.3
184.08868	2.6
185.09604	3.0
191.08566	13.3
192.09331	13.6
193.10175	12.8
195.11716	14.2
196.08821	2.6
196.12532	3.5
197.09633	13.3
197.13246	13.8
201.97536	2.5
205.10101	3.5
206.10898	65.3
209.09627	4.0
209.13231	4.6
210.10452	8.8
211.11234	11.9
211.14764	25.5
213.12714	11.3
216.27933	2.2
220.12125	2.2
221.13255	79.4
224.11963	5.4
229.12201	5.3
239.14305	100.0
257.15350	36.1
281.15265	3.6
281.18445	2.3
299.16370	11.9
299.19559	2.7
317.17493	88.2
318.17850	11.5
358.70468	2.2
359.10376	28.6
359.18573	19.8
359.22281	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1852
Annotation	9,10-Dihydrokadsurenone
Peak:m/z	Relative Intensity
59.11293	0.4
68.00919	0.6
69.07055	2.9
69.76489	0.5
83.08625	0.5
88.38793	0.5
91.73035	0.6
92.17860	1.0
93.07025	0.7
97.06532	6.3
107.08585	1.3
109.10157	3.0
111.08073	0.8
131.04948	0.7
132.36369	0.5
137.09636	1.7
138.78294	0.5
144.57466	0.5
149.05978	1.0
151.11148	2.2
157.10075	0.6
163.07521	2.2
169.10170	0.7
175.07535	0.8
179.07021	2.6
179.08466	0.6
179.10635	0.9
189.05463	8.8
193.04909	1.3
193.10248	0.7
199.11136	0.6
201.05487	1.9
205.04993	0.8
206.10930	1.1
207.06503	2.3
213.09143	0.8
215.07033	1.0
217.08723	0.6
219.06502	2.3
221.13228	0.8
225.09084	0.7
229.08568	4.8
231.10213	1.0
235.09570	5.8
239.14285	1.1
243.10040	1.3
247.09686	2.8
249.11252	2.1
261.11215	9.1
273.10950	1.7
275.09052	0.7
289.10910	0.6
289.14294	1.0
299.12802	1.3
299.16458	0.5
299.20010	0.8
320.48969	0.5
327.26035	0.6
337.59839	0.6
341.17502	4.5
341.21091	0.7
359.18488	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48860	0.8
56.45371	1.0
65.34218	1.1
65.56654	1.1
67.05482	5.1
81.07040	5.1
83.60371	1.1
93.07068	1.6
95.08594	5.4
121.10098	1.6
128.70609	1.2
133.85248	1.1
137.05994	1.9
139.03893	7.1
145.10132	1.4
148.11530	1.3
153.01891	1.5
153.05469	1.9
165.01793	2.1
167.03392	11.3
176.18060	1.0
177.05457	1.6
181.04927	1.2
277.11053	1.1
335.24515	1.2
341.21106	1.8
347.97192	1.5
359.22006	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	359.2193
Annotation	Bengamide E
Peak:m/z	Relative Intensity
51.61843	0.7
54.69003	0.8
57.07929	0.7
67.12151	0.8
72.06390	0.8
94.92924	0.9
95.08610	0.9
105.03383	1.1
105.07006	1.2
114.52995	1.0
135.86446	0.8
137.05971	1.7
151.03880	3.3
227.57730	0.9
256.13309	1.0
341.20798	1.9
359.21909	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	359.2193
Annotation	Bengamide E
Peak:m/z	Relative Intensity
50.31865	0.7
51.61635	0.6
51.61886	0.6
95.08542	1.0
108.32024	0.8
111.60702	0.9
145.25803	0.9
161.09659	0.9
213.66092	1.0
220.51547	0.7
313.82053	0.8
317.99597	0.9
359.21887	100.0
360.80035	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	359.2191
Annotation	Bengamide E
Peak:m/z	Relative Intensity
56.58843	2.9
75.43042	3.4
98.71276	3.8
134.29211	3.3
135.42990	2.9
137.05962	4.4
141.00716	3.2
201.80553	3.5
208.90762	3.7
229.00002	3.7
318.21252	4.4
355.11786	3.8
359.21893	100.0
359.25888	7.2
359.36398	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	359.2196
Annotation	Bengamide E
Peak:m/z	Relative Intensity
50.25113	1.4
55.91297	1.3
63.11131	1.4
67.05479	1.6
68.54748	1.4
69.07042	1.4
70.81259	1.3
72.93774	3.1
91.05476	1.6
92.18554	1.5
105.03388	3.5
109.10145	2.3
121.10070	2.1
123.11703	1.4
164.96317	5.9
166.97890	5.4
168.95786	2.5
182.97470	3.4
194.97415	20.1
200.98393	2.3
203.54091	1.4
210.89256	1.5
210.97018	1.7
217.98938	2.1
251.03644	2.4
268.17734	1.4
274.05273	27.1
341.20844	19.0
359.21933	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	359.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60159	1.3
53.90051	1.1
55.60348	1.1
55.71602	1.3
56.34562	1.1
62.21267	1.6
67.05505	1.4
69.07074	2.3
71.01370	1.3
79.05492	2.0
81.07051	2.7
84.45580	1.4
91.05464	6.5
93.07050	1.9
95.04965	2.2
95.08595	2.9
97.06522	7.8
99.08028	1.4
105.07044	8.9
107.08598	29.0
109.06493	2.7
109.10166	2.5
112.84051	1.6
119.08581	100.0
121.10096	2.2
123.11721	5.2
125.09637	8.0
131.08554	18.2
133.10152	7.0
137.09570	1.6
139.93080	1.7
143.08571	6.8
145.10115	29.5
147.11714	7.9
149.09634	1.7
151.11188	2.1
155.08545	2.5
155.78488	1.5
157.10123	7.7
165.55505	1.6
169.10139	6.3
171.11707	3.4
173.09659	2.8
173.13274	10.5
175.11154	3.0
183.11641	1.9
185.13312	1.8
188.56230	1.3
193.12265	5.5
197.13290	2.5
225.96109	1.4
237.16432	2.9
253.19531	2.2
274.05191	1.8
281.18991	6.5
299.20050	11.7
354.35065	1.5
359.22208	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	359.2217
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
55.05513	7.5
57.15121	3.7
67.05521	4.0
69.07060	15.6
72.91560	3.7
79.05492	5.0
79.34597	3.4
81.07045	8.2
83.04983	6.0
83.43546	3.7
90.21712	4.1
91.05509	5.0
93.07053	9.1
95.08591	9.2
97.06531	24.6
105.07003	16.1
107.08599	28.0
109.06561	5.9
109.10163	25.4
111.08091	8.3
111.63735	3.4
119.08569	55.9
121.06482	4.9
121.10121	19.4
123.08030	18.5
125.09628	14.9
129.07008	4.2
131.08559	21.8
133.10115	16.1
135.08043	31.8
135.11626	8.2
137.09628	19.2
137.94749	3.6
142.07765	5.4
143.08562	17.5
145.10129	35.9
147.11659	9.0
149.09613	21.3
155.08542	4.8
157.10085	30.2
159.08073	5.9
159.11708	20.8
161.09602	7.5
161.13292	5.0
163.11186	8.9
166.60706	3.5
168.09473	5.4
169.10136	22.6
171.11707	27.2
173.09615	6.8
173.13298	22.8
173.22650	3.8
175.11201	6.9
183.11687	26.9
185.09616	5.1
185.13264	15.1
187.11250	15.0
187.14827	4.3
189.12726	7.7
195.11694	8.5
197.13297	18.1
199.14824	5.2
201.12701	16.2
209.13171	6.0
211.14865	5.5
215.14212	7.4
224.15820	3.7
227.14368	5.6
239.14273	14.1
239.18088	6.5
253.19537	5.3
257.19025	6.3
263.17792	6.5
271.20639	7.3
281.18970	45.1
283.07172	4.5
299.20016	100.0
317.21078	19.2
359.22083	76.9
359.37088	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2215
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
55.05476	2.1
57.07076	3.7
67.05501	3.3
69.07057	3.2
74.55275	1.7
81.07038	9.7
91.05471	2.7
93.07014	4.5
95.04964	8.7
95.08605	10.8
104.25830	2.2
105.07043	10.4
107.08577	12.1
109.06490	2.1
109.10141	4.6
113.28062	1.8
119.08579	14.4
121.06512	4.6
121.10134	4.7
123.04509	2.3
123.11694	14.1
131.08549	4.6
133.10127	21.0
135.08064	8.0
135.11714	15.6
137.13313	2.7
142.07710	2.0
143.08540	7.8
145.10123	8.4
147.08060	3.6
147.11728	3.2
149.09624	2.9
155.08540	2.3
157.10136	9.8
159.08060	2.6
159.11665	7.6
161.09598	4.2
161.13231	3.1
163.07440	3.5
169.10118	9.5
171.11685	8.7
173.13249	3.3
175.11171	2.3
175.14781	8.9
181.08650	4.4
183.11754	9.1
185.09645	3.8
185.13220	9.0
187.11256	2.7
187.14845	2.2
195.11642	3.2
197.09634	3.4
197.13240	4.7
201.12708	2.5
203.14349	14.6
211.14696	2.2
221.13135	2.6
225.12662	2.3
239.14360	3.1
239.17969	4.4
241.15857	3.5
243.43663	2.4
253.19525	9.6
257.15143	2.2
257.19009	3.6
271.20642	4.2
281.18976	13.3
299.20023	30.6
317.21103	21.1
359.22174	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	359.2217
Annotation	xenovulene A
Peak:m/z	Relative Intensity
54.59351	1.1
55.05522	2.8
61.07571	1.3
67.05510	24.0
69.07072	1.9
79.05486	6.4
81.07059	22.3
91.05495	1.5
93.07047	10.0
95.08615	24.0
107.08594	8.0
109.10189	9.2
111.00835	1.3
119.08562	3.0
120.66197	1.3
121.10143	7.8
123.04391	5.1
123.11705	2.4
127.03911	45.1
131.08524	2.8
133.10139	3.1
135.11702	5.4
135.23125	1.2
139.03906	48.5
139.04909	2.7
145.10176	1.7
147.11716	1.2
149.13226	2.1
151.03955	2.3
152.23425	1.3
153.01826	62.9
153.05508	2.3
163.03883	5.5
163.52180	1.3
165.05519	7.0
165.07024	1.2
169.10103	1.8
177.05478	3.2
179.01512	1.2
181.04980	5.5
189.16399	2.0
191.07034	3.1
193.08568	2.6
205.08629	2.5
206.10995	1.6
214.20021	1.3
215.14394	1.5
215.17938	2.8
219.10335	1.5
227.14217	1.6
233.18945	5.3
239.14320	4.7
277.14438	1.6
299.16675	1.6
302.51709	1.4
341.21265	2.2
359.18359	15.4
359.22186	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	359.2216
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
54.95946	2.1
55.05515	2.9
67.05515	1.9
71.04958	2.4
79.05482	3.7
81.07043	11.0
81.59206	2.5
83.04958	3.1
83.08619	3.7
90.59978	2.1
91.05454	4.4
93.07022	14.9
95.08587	10.0
96.36971	2.2
97.06519	4.1
105.07025	17.7
107.08605	20.1
109.06515	5.1
109.10117	4.6
111.08073	3.1
119.08567	14.3
121.06483	4.0
121.10125	5.5
123.08042	5.0
129.06955	3.6
131.08549	4.8
133.10089	11.2
135.08078	23.2
137.09604	14.7
141.06961	2.7
141.70500	2.4
143.08568	10.5
145.10101	9.8
147.08061	5.1
147.11676	4.2
149.09587	22.4
155.08551	4.2
157.10135	16.6
159.08061	4.4
159.11609	10.7
161.09557	3.2
162.92838	2.4
163.11174	11.6
169.10109	9.5
171.11678	15.1
173.09642	4.2
173.13106	2.4
175.11081	3.0
178.99709	2.2
181.10101	2.5
183.11723	16.9
185.13274	10.6
187.11163	9.4
189.12784	3.6
197.09641	5.1
197.13226	4.9
199.11212	9.6
201.12746	11.2
209.13274	2.9
211.11101	3.9
211.14807	4.1
212.11946	2.6
213.12711	9.1
215.14264	3.9
225.12720	4.9
225.16258	4.4
237.16292	4.0
238.29422	2.6
239.14388	9.3
243.13846	4.5
253.15860	11.3
253.19560	3.3
255.17470	8.2
256.14560	12.3
257.15353	5.9
257.19061	2.6
271.16864	5.3
281.18829	23.5
299.16696	5.5
299.20001	100.0
317.21027	5.7
341.57913	2.5
359.18295	24.8
359.22131	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2216
Annotation	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Peak:m/z	Relative Intensity
51.77157	2.5
54.61068	2.0
55.05523	3.9
57.07068	9.0
67.05497	4.4
69.07069	8.5
70.06576	2.3
71.08631	2.6
81.07051	13.4
83.08612	4.4
88.07619	9.5
89.07921	2.9
91.05476	4.9
93.07029	11.6
95.04980	24.4
95.08588	21.6
97.06532	8.5
97.10123	2.6
102.09145	1.9
105.07021	22.4
106.08697	3.3
107.08588	14.8
109.06516	3.2
109.10154	17.0
110.03085	2.2
111.11733	3.4
115.25553	2.1
117.06996	2.6
119.08582	23.9
121.06509	11.8
121.10152	14.8
123.11711	14.1
129.07051	2.9
131.08568	3.5
133.06464	3.2
133.10124	23.2
135.08073	11.0
135.11678	19.0
137.09668	2.3
137.13277	3.6
143.08524	4.4
145.10095	10.7
147.08031	8.9
147.11697	10.0
149.09654	2.3
155.08559	10.6
157.10150	5.2
159.08015	9.6
159.11671	12.0
161.06012	4.6
161.09644	8.7
161.13225	4.4
163.07553	5.3
169.10094	10.1
171.11635	10.0
173.09549	4.2
173.13188	4.2
174.47438	2.1
175.11163	5.4
175.14828	30.2
177.09140	3.3
177.12711	3.2
183.08031	2.6
183.11722	12.7
185.09688	2.4
185.13239	13.7
187.11131	9.7
187.14752	4.6
195.11719	3.0
197.09631	4.7
197.13306	12.7
199.11227	2.3
201.12743	5.4
203.14346	27.7
211.11163	2.8
211.14786	2.8
213.16338	4.3
215.10762	2.5
215.14282	3.4
223.14700	2.2
225.12770	3.0
229.12161	2.7
229.15800	2.5
231.17337	3.4
239.14330	3.0
239.17897	5.0
243.21062	2.7
253.19478	12.3
257.19067	5.3
263.17920	3.2
271.20547	14.8
281.19019	25.3
299.20099	37.7
317.21066	38.1
341.36057	8.7
359.22168	100.0
359.37192	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	0.9
85.02910	3.3
86.09711	0.8
86.30891	0.9
101.14156	0.7
118.05509	0.8
123.04395	1.2
138.38156	0.8
147.04451	0.8
149.02336	100.0
163.03888	65.2
181.04950	41.3
190.08572	1.2
191.07028	3.7
203.23318	0.7
208.09680	7.1
319.22455	1.8
360.14371	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	0.5
57.03442	1.1
61.02907	0.6
69.03429	11.8
70.06609	0.7
71.04983	0.7
72.08169	5.6
73.02898	0.8
78.03447	6.2
78.88235	0.7
81.03420	21.5
85.02904	10.3
86.09709	7.2
96.04473	0.7
97.02891	6.4
99.04449	3.6
106.02916	84.9
109.02879	22.2
124.03945	100.0
126.68873	0.7
127.03902	9.2
140.81393	0.6
146.16737	0.6
148.06094	1.3
166.05000	1.0
185.16478	1.5
213.15936	3.3
232.06047	2.2
250.07086	24.4
268.08145	49.3
319.22781	1.0
360.12869	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10696	0.6
70.06583	2.7
95.04979	1.2
121.06484	1.0
121.67084	0.7
123.04435	19.1
135.04333	0.7
136.07576	1.3
137.06010	0.9
139.39999	0.7
147.04411	8.9
151.03975	1.2
157.06538	0.9
161.05992	0.8
163.03838	1.1
163.07532	8.9
165.05447	4.7
173.05939	5.3
179.07033	5.3
190.08626	21.3
191.07034	70.9
203.07056	4.3
208.09692	100.0
215.07162	0.9
221.08142	0.8
274.31494	0.7
325.10635	4.0
342.13422	1.4
343.11755	2.8
360.14410	60.7
372.65564	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	360.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04519	0.5
60.12257	0.6
61.12822	0.6
62.78591	0.5
67.95560	0.5
70.06580	1.1
70.08430	0.5
71.43966	0.5
89.83599	0.6
107.08651	0.7
121.06474	0.8
123.04436	17.1
126.98580	0.6
135.04396	0.6
135.08057	0.8
136.07474	0.9
137.05983	1.1
145.56046	0.6
147.04391	7.5
151.03833	0.8
161.05971	1.0
163.03777	0.7
163.07552	7.1
165.05444	4.1
173.06006	4.3
179.06995	4.9
185.05995	0.9
190.08621	17.4
191.07022	66.2
203.06996	2.8
208.09691	100.0
220.09824	0.7
319.22684	2.5
325.10834	3.5
343.11679	0.8
360.14426	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02570	0.6
56.36623	0.6
57.03416	0.7
57.35701	0.7
70.06585	1.6
75.90669	0.7
96.73396	0.7
98.29555	0.7
113.50307	0.8
121.06458	0.8
121.22496	0.8
123.04415	18.4
126.90816	0.8
137.05966	1.4
143.26141	0.8
147.04384	7.1
149.05898	0.8
161.05890	1.5
163.03819	1.4
163.07532	7.3
165.05460	4.4
173.05972	3.5
175.07596	0.9
179.06985	3.8
185.05937	1.2
190.08582	18.7
191.05269	2.0
191.07011	61.8
203.07005	4.3
208.09668	100.0
225.73898	0.8
287.63968	0.9
325.10568	4.1
342.13406	1.2
343.11594	1.4
360.14365	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21520	0.5
69.19661	0.5
70.06587	1.5
83.01764	0.5
93.34031	0.7
95.04942	0.7
95.22074	0.6
97.85789	0.6
121.06478	0.6
123.04425	18.6
135.07977	0.9
136.07561	0.8
139.03859	0.7
147.04367	6.3
148.63966	0.6
149.05997	1.5
161.06015	0.8
163.07562	7.5
165.05501	5.5
173.05977	4.5
175.07410	0.8
179.06992	3.7
188.75159	0.6
190.08629	18.6
191.07027	64.8
203.07013	3.6
207.06541	0.9
208.09683	100.0
220.09659	0.8
221.08040	0.7
323.04947	0.7
325.10770	3.6
342.13190	2.7
343.11710	1.3
360.14386	55.3
371.44522	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34631	0.7
70.06590	1.9
91.12948	0.9
105.56853	0.9
121.06505	0.9
123.04424	16.2
136.63202	0.8
137.05922	1.3
147.04333	8.5
163.07504	6.5
165.05440	5.0
173.05983	4.3
179.07024	4.6
190.08594	15.9
191.07007	67.0
203.06915	2.2
208.09665	100.0
285.81494	0.9
325.10764	3.7
342.13092	2.2
360.14380	50.5
370.12390	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	360.1626
Annotation	Isofetamid
Peak:m/z	Relative Intensity
53.46688	0.2
53.58593	0.2
68.57227	0.3
77.07561	0.2
92.18459	0.5
107.08565	0.3
113.28890	0.3
157.76129	0.3
165.04964	0.3
208.00807	0.3
274.05344	0.4
316.13568	1.8
342.15244	0.4
342.94989	0.3
348.43668	0.3
360.16241	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	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.6
69.03437	0.8
69.57894	0.5
76.37495	0.5
85.02898	6.1
97.70015	0.5
100.07066	0.5
103.05461	16.1
131.04922	100.0
163.06146	1.3
163.07526	33.0
180.08701	0.6
368.03973	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	361.0917
Annotation	CHEBI:70009
Peak:m/z	Relative Intensity
54.28932	0.4
58.12226	0.5
107.04940	2.1
119.09936	0.5
150.03082	0.6
151.03879	2.1
153.05469	17.3
154.06245	1.1
163.03680	0.6
167.03395	9.9
167.07001	0.6
178.02591	1.2
179.03407	5.4
181.04930	4.2
193.04984	1.1
197.04463	2.4
207.06532	1.0
208.03673	0.8
237.07800	0.6
243.06479	0.6
244.07451	0.6
245.08057	0.8
255.06367	0.6
257.04391	0.6
258.05179	2.7
272.06775	12.9
273.07468	4.7
283.06030	3.3
286.04675	0.9
297.03757	0.8
299.05402	2.9
300.06253	16.4
301.07047	16.3
302.04086	0.6
303.05054	2.0
305.10162	3.4
316.05695	1.9
317.06512	5.4
318.07471	0.7
328.05759	3.1
329.06409	5.2
330.07224	0.7
331.78088	0.6
332.08749	1.2
345.06006	17.5
346.06824	6.7
361.09143	100.0
361.23401	5.3
366.84967	0.5
375.50848	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	361.1105
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
53.79726	1.0
79.25405	1.0
91.85196	1.2
92.17918	1.6
98.02432	1.0
120.80651	1.2
123.04392	5.5
137.06012	8.5
140.04622	1.5
153.05402	2.2
191.03360	2.4
192.03621	1.4
199.05774	100.0
267.41534	1.2
283.00882	1.1
361.11011	83.7
361.14319	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	361.1282
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
50.65586	0.5
53.22757	0.6
53.75297	0.6
55.01876	0.6
63.11142	0.7
90.70872	0.6
107.04953	68.3
109.88323	0.7
119.04941	0.9
119.08578	0.7
121.06477	0.7
125.02338	1.3
131.04935	1.6
133.06462	3.1
137.06003	1.1
139.38728	0.7
141.05444	3.0
145.06487	1.1
147.04387	2.8
149.06015	1.3
151.03885	1.2
153.05479	14.5
161.05974	3.8
165.05464	4.2
167.03348	11.9
167.07043	2.4
171.04388	1.5
177.05464	7.1
179.03355	5.2
179.07057	0.9
181.04984	5.0
185.05975	1.1
189.05441	7.1
191.07024	1.6
193.04953	42.4
195.06496	9.0
197.04390	1.2
198.07869	0.8
205.04955	8.6
207.06572	1.1
216.01031	0.7
217.04959	1.6
223.05989	3.4
225.07579	1.1
227.07101	1.1
237.07495	13.8
237.37318	0.8
245.08080	1.4
249.07509	2.9
255.10135	2.7
258.05090	1.2
265.08682	1.2
269.04453	1.0
269.08008	3.5
271.05975	0.9
272.06790	11.2
273.07672	5.6
283.06088	3.0
283.09625	14.9
286.04794	2.8
297.03937	1.0
299.05377	1.1
300.06274	19.0
301.07062	17.4
305.10126	3.9
311.09076	4.5
316.05807	0.9
317.06497	6.6
328.05823	2.7
329.06516	6.2
329.10211	10.4
331.04630	1.4
343.11581	3.2
345.05984	18.6
346.06729	6.1
361.09128	100.0
361.12750	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	361.1393
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
50.92878	1.0
53.98645	1.0
86.09657	1.9
98.88330	1.2
111.96470	1.1
137.05984	1.6
157.07626	1.2
157.55498	1.0
177.55856	1.2
179.08553	2.0
183.08099	2.1
207.08028	12.7
209.09590	1.4
210.09114	5.8
211.07542	8.4
221.05946	8.2
223.07422	1.4
235.07515	100.0
236.10559	2.1
237.09093	11.9
238.08517	4.9
239.07002	62.7
239.09514	2.1
252.10152	86.4
253.08653	1.4
263.06976	11.1
267.06516	2.2
280.09561	14.7
281.08044	53.1
284.09109	7.3
297.12274	19.2
298.10681	34.3
315.13324	8.8
326.10107	5.2
343.12857	59.9
344.11179	3.0
359.62006	1.3
361.13922	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1396
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
56.05022	1.6
56.96555	2.1
57.03424	1.7
67.86957	1.4
69.03429	3.2
69.65398	1.3
72.08165	2.0
78.11629	2.1
81.03416	6.6
84.08138	9.1
85.02898	10.4
86.09695	2.3
96.14312	1.5
97.02893	2.5
98.97576	2.8
107.04977	2.5
109.02827	3.2
116.98582	2.5
118.06463	2.2
118.50801	1.7
119.04931	1.8
119.07321	33.2
122.05992	2.5
127.03942	1.7
129.10226	3.1
134.06044	7.3
135.06781	16.4
137.05995	7.7
143.00168	3.4
146.38524	1.7
150.05495	3.1
161.01207	2.3
167.02988	2.1
168.98091	2.5
173.01198	3.0
176.07030	3.1
186.99126	10.6
187.02786	3.1
205.00179	7.3
207.08099	2.1
211.07675	1.9
229.07838	1.9
235.07498	7.3
237.09024	11.9
239.07074	2.8
241.08609	31.5
243.06508	1.9
251.04317	2.5
252.10103	15.8
253.08597	10.6
254.11758	32.0
256.09702	9.3
264.04922	4.1
267.03781	2.4
269.12833	41.2
270.11246	35.1
280.09564	3.4
281.08090	3.8
283.09583	3.6
285.07434	1.9
298.10782	13.2
300.12259	3.2
315.13354	34.1
316.11792	3.8
343.06573	2.5
361.07584	79.0
361.13937	100.0
380.10187	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	361.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52231	0.3
51.90558	0.3
57.01838	0.3
59.25323	0.3
61.02952	0.3
63.36177	0.3
63.78733	0.3
69.03438	0.4
72.08161	0.4
73.62109	0.4
81.03397	1.1
85.02911	3.0
86.09683	0.7
87.10021	0.5
88.03967	0.5
90.81863	0.3
94.04182	0.4
97.02905	0.7
105.03357	0.4
109.02837	0.3
114.93110	0.3
117.07059	0.4
122.03655	1.6
127.03909	0.7
131.04942	1.7
137.05974	100.0
140.07230	0.4
145.06471	0.7
147.04393	0.5
151.07600	2.6
151.20589	0.4
159.90257	0.3
160.05203	0.6
161.06009	0.3
163.07489	3.8
165.09142	0.5
169.06480	0.8
173.05945	0.4
175.07529	10.4
177.09138	0.5
181.06665	0.3
181.06943	0.5
181.08592	7.3
183.08069	0.4
185.05835	0.5
187.07520	1.9
189.09076	1.8
191.07014	0.7
193.08522	0.5
199.07594	0.7
201.09081	1.5
203.07040	0.7
205.08604	5.1
209.08102	0.7
213.09088	0.4
217.08614	0.6
229.08620	1.4
245.08340	0.4
247.09659	0.8
265.10748	2.1
271.09738	0.5
289.10678	2.0
293.90234	0.3
307.11722	2.3
340.17197	0.3
361.14545	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	361.1645
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
51.86413	0.7
55.01857	0.7
56.77011	0.6
79.05503	1.1
81.07030	1.0
91.05484	1.3
93.07038	0.9
103.05448	1.8
105.07013	3.8
107.04945	3.1
107.08528	0.8
109.06514	1.4
119.04922	3.9
121.06472	3.0
122.03671	1.0
123.04409	3.3
131.04916	14.9
133.06497	6.3
135.08058	1.4
137.05972	100.0
138.03090	1.2
147.04384	8.3
149.05959	11.5
151.03938	1.0
151.07539	8.1
153.05464	60.3
157.06491	1.1
161.05956	3.7
161.09491	0.9
163.07521	14.3
165.05470	1.5
167.07028	1.2
175.07471	2.8
179.07031	10.1
187.07596	1.0
189.09097	6.0
191.07051	1.0
193.08600	0.8
203.10706	0.9
205.08554	1.4
219.10211	0.8
234.90698	0.7
311.12857	5.9
313.14142	0.7
331.15323	1.1
343.15372	20.3
361.12628	1.1
361.16232	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86413	0.7
55.01857	0.7
56.77011	0.6
79.05503	1.1
81.07030	1.0
91.05484	1.3
93.07038	0.9
103.05448	1.8
105.07013	3.8
107.04945	3.1
107.08528	0.8
109.06514	1.4
119.04922	3.9
121.06472	3.0
122.03671	1.0
123.04409	3.3
131.04916	14.9
133.06497	6.3
135.08058	1.4
137.05972	100.0
138.03090	1.2
147.04384	8.3
149.05959	11.5
151.03938	1.0
151.07539	8.1
153.05464	60.3
157.06491	1.1
161.05956	3.7
161.09491	0.9
163.07521	14.3
165.05470	1.5
167.07028	1.2
175.07471	2.8
179.07031	10.1
187.07596	1.0
189.09097	6.0
191.07051	1.0
193.08600	0.8
203.10706	0.9
205.08554	1.4
219.10211	0.8
234.90698	0.7
311.12857	5.9
313.14142	0.7
331.15323	1.1
343.15372	20.3
361.12628	1.1
361.16232	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	361.1645
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
57.85422	2.3
68.53797	2.1
70.71422	2.2
79.05486	2.5
91.05453	9.7
94.13087	2.6
103.05375	2.6
105.07050	3.9
107.04934	14.4
119.04935	15.6
119.08575	2.9
123.04406	2.9
129.06987	10.4
133.06544	3.0
135.08064	3.7
136.05130	3.0
137.05974	100.0
147.04395	3.3
149.05933	11.2
151.07523	67.0
157.06497	5.6
161.05959	78.9
161.09631	22.1
163.07535	30.6
174.06744	4.8
175.07503	9.7
177.09155	4.4
189.09087	63.7
195.08034	11.9
207.10138	54.8
219.10164	5.6
221.06044	4.2
221.09662	5.2
223.07584	3.8
225.09164	2.9
227.10648	21.2
253.08488	12.3
253.12172	11.6
255.10127	15.7
267.10071	3.7
269.07980	3.0
285.11197	14.5
287.12747	32.6
297.11172	3.1
299.12769	5.8
313.14328	35.5
320.22916	13.3
324.56549	2.7
331.15256	39.8
340.15512	2.3
342.83115	3.2
361.23669	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	361.201
Annotation	Ganomycin A
Peak:m/z	Relative Intensity
51.72056	1.9
59.05004	2.5
68.25361	2.3
69.07088	2.4
70.07418	2.1
77.32349	2.0
81.07044	9.8
85.06525	4.8
87.57024	2.2
92.18523	5.1
93.07055	3.3
95.08611	2.7
99.75336	2.3
105.07044	3.1
107.08624	2.6
109.06486	4.1
123.08093	3.4
127.07566	2.7
163.07588	2.5
167.08710	2.3
179.10728	5.5
181.06479	2.9
185.09732	3.3
193.06586	3.0
193.10219	2.9
195.11719	10.3
197.09613	2.6
199.07530	4.7
199.11217	3.6
201.09128	3.9
207.08076	2.8
208.08885	3.6
209.09511	5.7
213.12878	2.5
213.16435	3.0
216.11369	3.4
217.12234	8.9
219.01076	2.5
219.10132	3.5
223.11198	50.2
225.09135	3.1
229.12245	47.3
231.10089	3.6
235.11212	3.1
237.16357	9.7
239.10701	9.8
240.11307	3.8
241.12239	14.6
245.11757	14.8
251.10884	2.9
251.14325	9.5
253.12389	2.9
254.13058	17.1
255.13873	15.9
257.15570	3.1
258.61609	2.4
259.13226	3.7
265.15906	36.2
267.13690	4.3
268.14539	3.8
269.11597	16.8
273.14569	2.7
281.15329	3.1
282.12537	4.1
282.16025	4.5
283.17004	4.9
286.22461	2.5
297.14929	24.4
297.18524	100.0
301.14435	3.6
301.17883	4.5
305.96237	2.5
313.18042	5.5
315.19540	16.1
325.17993	39.6
343.19067	36.2
361.16321	6.1
361.20029	53.8
361.23636	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	361.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	3.6
67.05497	0.6
68.99789	4.0
79.05505	0.5
81.07038	0.8
87.00860	0.5
93.07002	0.5
95.08575	0.7
111.00764	3.5
129.01836	100.0
139.00266	7.6
157.01328	5.3
165.94722	0.6
185.08084	32.4
209.16847	0.5
237.09688	0.6
259.15466	8.9
287.30185	0.5
307.46033	0.5
361.27542	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	361.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29031	1.3
57.03429	1.5
60.19089	1.4
61.26927	1.4
79.05481	1.7
79.60921	1.4
81.07039	3.5
81.90538	1.6
93.07040	2.5
95.08627	1.9
102.44472	1.5
124.39245	1.5
133.10077	2.2
256.79788	1.6
263.85623	1.6
275.22678	1.6
282.10785	1.7
306.93564	1.7
308.19360	1.6
320.22830	2.6
361.23489	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	361.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90113	0.7
57.84849	0.8
62.84961	0.9
77.85516	0.8
85.94270	0.8
90.18114	0.7
91.05421	0.9
96.29895	1.0
114.92294	0.8
138.68443	0.8
142.27811	0.8
145.05399	0.9
167.76733	0.8
177.93263	0.9
361.23444	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	361.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.4
79.05513	0.8
81.07061	1.0
83.08582	0.8
93.07022	1.5
95.08591	1.4
107.08587	0.8
109.10110	0.7
111.24816	0.7
119.08563	0.9
130.20334	0.8
339.55432	0.7
361.23471	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	361.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93899	3.5
56.80535	3.0
59.66355	3.5
82.83749	3.9
101.28941	3.3
107.08640	4.1
108.75363	3.3
123.08083	3.4
162.72935	3.2
185.29434	3.4
201.03404	3.7
343.19141	4.9
361.23477	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	361.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09612	0.7
69.07066	1.2
70.70668	0.9
78.87513	0.8
79.05502	4.6
81.03411	1.8
81.07039	6.6
83.08567	0.9
91.05430	1.7
92.17902	0.9
93.07053	4.4
95.08605	4.4
105.07034	7.3
107.08597	19.0
109.10146	4.5
117.06985	2.1
119.04928	4.6
119.08590	4.0
121.10185	1.8
123.11726	3.4
124.55315	0.8
131.08575	1.3
133.06497	5.8
133.10126	5.9
135.08055	100.0
137.23259	0.9
143.08598	0.9
145.06479	5.4
145.10129	1.7
157.10121	1.8
159.11696	1.4
160.03590	1.0
161.09619	7.7
161.13168	1.2
163.11174	4.8
171.11569	1.0
179.10651	6.6
185.13246	0.9
190.48453	0.9
201.12717	1.2
209.13211	1.3
227.14366	1.1
283.20526	14.6
361.23697	4.6
383.71530	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	361.2372
Annotation	Sucutinirane E
Peak:m/z	Relative Intensity
52.68456	3.5
54.52810	2.8
57.07061	4.7
67.75999	3.4
69.07064	15.7
70.75015	3.6
73.37155	3.2
81.07055	19.3
83.08623	5.6
91.05449	4.4
93.07026	16.9
93.89555	3.8
95.08610	34.3
97.10168	6.0
105.07038	26.8
107.08618	28.0
109.06484	7.9
109.10122	26.0
117.07016	4.7
119.04789	3.2
119.08554	25.8
121.06460	6.3
121.10127	27.5
123.07991	5.4
123.11703	18.6
131.08566	20.6
133.10135	23.8
135.08044	37.1
135.11685	19.2
137.13307	5.2
143.08521	15.6
143.72754	4.2
145.10101	18.7
147.08035	5.5
147.11652	16.1
149.09702	4.3
155.08629	4.4
157.10097	28.2
159.11681	22.9
161.09654	7.1
161.13292	8.4
163.11200	4.9
169.10042	7.7
171.11690	31.1
173.09642	6.5
175.11131	6.0
183.11642	6.7
185.13275	24.7
197.13315	14.8
199.11166	3.9
199.14832	19.0
203.14346	5.0
209.13304	5.8
211.14816	4.5
213.12766	5.2
213.16371	5.4
223.14935	3.9
225.16354	5.8
226.69606	4.4
227.14349	5.0
241.15926	4.9
241.19478	37.6
254.54514	3.5
255.21083	21.8
255.89894	3.7
265.19473	9.1
273.22159	4.7
283.20547	44.6
300.90839	4.4
301.21552	48.4
319.22647	7.1
361.23685	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	361.237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.2
69.07075	1.3
79.05491	4.1
81.03410	1.1
81.07067	6.7
85.05937	0.5
91.05483	1.2
93.07044	4.0
95.04957	2.3
95.08621	6.2
105.07026	6.4
107.08593	19.5
109.10153	3.5
115.05417	0.5
117.07012	2.5
119.04902	2.6
119.08560	4.3
121.10140	3.4
123.11710	6.4
131.08556	1.4
133.06465	4.5
133.10052	4.8
135.08051	100.0
135.11700	1.2
143.08574	0.9
145.06487	6.5
145.10117	3.2
147.07961	1.1
147.11679	0.9
149.13239	0.6
157.10085	1.1
159.08028	0.9
159.11688	2.7
161.09613	5.9
163.11176	5.2
171.11647	1.1
173.09576	0.9
179.10686	6.3
181.10118	1.1
183.11690	0.7
185.13260	1.3
192.55759	0.7
195.33818	0.6
209.13240	0.7
223.14806	0.9
224.95331	0.6
225.16422	0.7
241.15843	0.7
255.21021	1.0
265.19504	1.4
283.20547	14.1
301.21646	0.7
361.15826	0.8
361.19461	2.3
361.23370	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	361.2736
Annotation	O-Arachidonoyl Glycidol
Peak:m/z	Relative Intensity
52.06018	4.3
52.87146	4.5
55.01886	9.7
55.05512	12.2
57.03435	23.7
59.92956	4.8
63.29280	5.0
64.18172	5.2
66.23425	5.4
67.05506	72.4
69.07056	6.7
73.02895	4.9
79.05503	53.4
81.07047	57.5
87.95012	7.3
91.05487	31.3
92.18459	7.5
93.07044	42.8
95.08598	53.7
101.06978	6.5
105.07030	23.2
107.08586	26.6
109.10168	9.1
119.08560	22.3
121.10174	23.6
129.05467	30.8
131.08536	12.5
133.10101	13.2
135.11723	12.7
147.11676	8.0
147.43925	4.8
149.13217	6.8
154.48785	6.2
159.11658	7.1
235.33006	7.3
236.93594	6.5
269.22656	8.9
271.34021	5.7
330.68973	5.8
358.22894	5.4
361.27396	100.0
361.36780	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	361.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00539	1.9
53.86619	2.2
55.01860	3.5
55.05520	5.6
57.03454	5.6
67.05506	38.7
69.07059	10.8
73.82981	2.4
79.05504	24.6
81.07068	38.5
83.08608	2.6
91.05475	16.1
93.07045	25.7
95.08601	37.4
97.06560	3.3
99.70338	2.1
101.23525	2.2
105.07024	14.0
107.08594	15.5
109.10158	15.5
117.06971	4.1
119.08572	4.8
121.10125	21.9
123.11623	2.6
129.05466	16.5
131.08557	9.6
133.10133	11.9
135.11710	4.5
145.26299	2.4
147.11723	9.2
147.90527	2.3
159.11691	2.5
171.11662	3.2
185.13289	5.3
187.14815	2.4
203.17947	3.8
213.35034	2.4
243.21104	3.8
269.22519	16.0
361.27322	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	361.2736
Annotation	O-Arachidonoyl Glycidol
Peak:m/z	Relative Intensity
55.01873	3.7
55.05508	8.1
57.03448	13.9
57.07050	1.9
65.03938	2.1
67.05160	2.8
67.05505	54.1
69.07083	12.6
70.77541	1.4
72.04815	1.5
73.98944	1.4
79.05486	33.5
81.07059	55.2
83.04961	1.8
83.08613	3.6
85.06555	2.0
91.05482	20.3
93.07038	40.3
93.25577	1.6
95.08607	44.5
97.06506	6.3
99.67471	1.7
105.07031	18.6
107.08603	24.9
109.06484	2.3
109.10157	16.4
117.07026	2.3
119.08569	15.7
121.10133	20.4
123.11714	3.9
129.05470	13.4
129.07027	1.6
131.08551	8.9
133.10127	15.3
135.11702	9.1
143.08572	2.1
145.10141	9.4
147.11668	11.4
149.13235	2.9
159.11720	8.3
161.13208	6.5
163.14751	2.0
171.11633	3.0
173.13194	3.4
187.14832	3.9
199.14906	2.2
200.30295	1.5
203.17973	3.8
213.16367	2.3
269.22635	11.2
361.27362	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	361.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96594	2.4
54.10398	2.8
55.01871	4.0
55.05511	21.7
57.03432	16.8
60.79675	2.5
66.98508	2.5
67.05510	69.5
69.07063	13.9
79.05493	46.5
81.07063	53.5
91.05466	32.2
93.07047	58.9
95.04997	4.3
95.08602	52.3
97.06530	6.5
105.07008	17.5
107.08584	28.6
109.10162	17.1
117.07018	4.1
119.08569	19.4
121.10175	25.9
129.05479	17.9
131.08557	6.2
133.10144	17.0
135.11717	6.6
145.10143	3.4
146.26915	3.0
161.13235	4.1
173.13275	3.6
187.14696	4.7
203.18001	3.7
361.23563	3.5
361.27350	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.8
57.03417	2.2
57.07056	4.1
58.32318	1.9
59.04978	1.8
65.75475	2.0
67.05234	2.0
67.05509	34.4
67.20800	1.7
69.07072	23.9
71.04962	2.8
72.72335	1.7
79.05501	22.9
80.15120	2.2
81.06583	3.4
81.07061	100.0
83.04984	9.1
83.08607	14.9
85.06540	14.2
91.05454	9.9
93.07040	42.4
95.05062	2.1
95.08598	90.9
97.06526	3.7
97.10147	7.2
99.08086	3.4
99.61166	2.0
105.07024	21.6
107.08585	41.6
107.68164	1.8
109.06503	3.7
109.10156	47.0
111.08070	4.3
111.11680	2.8
117.07020	2.1
119.08571	20.7
121.10132	26.9
123.11684	20.4
125.09643	2.4
131.08551	4.3
133.10139	16.9
135.11713	24.9
137.05945	3.1
137.09618	2.1
145.10120	10.0
147.11652	11.8
149.09615	2.0
149.13255	17.1
159.11708	10.1
161.06091	2.2
161.13292	3.9
163.14766	4.5
165.12636	2.6
173.13292	3.1
175.14774	4.8
177.16212	2.5
182.87291	2.0
187.14690	3.6
189.16405	3.1
198.60175	1.8
215.17828	2.3
255.10316	2.1
263.23755	2.8
271.24054	3.7
273.11145	3.1
277.25299	4.0
289.25174	7.8
295.26498	3.8
297.14700	2.6
307.26321	10.4
311.10074	2.6
313.27222	2.9
325.27365	43.2
361.16266	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
57.20117	0.9
57.83963	0.9
61.02915	5.7
69.03426	6.2
71.53408	1.0
73.02897	1.9
78.69621	1.0
81.03407	3.9
85.02907	53.2
91.03934	4.1
97.02878	15.1
99.04454	2.4
109.02883	2.1
115.19811	0.9
127.03930	11.7
137.05975	100.0
145.04951	14.8
151.07487	2.2
154.69699	1.0
163.06055	2.2
164.84447	1.0
180.08588	4.6
183.06519	31.5
200.09171	1.5
216.39777	1.1
362.14178	1.4
362.25073	1.2
374.69519	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	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52857	0.3
60.04531	4.0
61.02917	0.6
69.03418	1.9
70.56022	0.3
71.04938	0.4
74.99865	0.4
78.50607	0.4
81.03393	0.7
85.02907	13.1
85.42847	0.4
87.04458	0.5
91.03918	0.5
95.08569	0.5
97.02878	4.0
105.07019	1.8
107.08558	0.5
109.02853	0.7
127.03901	2.4
133.06450	1.9
134.07237	0.5
135.08035	0.7
137.05949	4.8
145.04947	2.4
150.06769	8.0
165.09102	100.0
168.07797	9.4
177.05469	0.6
179.10698	0.8
180.08798	0.4
183.10161	35.0
189.09276	0.5
192.14371	0.5
201.10947	0.4
207.10098	0.5
291.12177	1.6
309.13394	0.5
342.36749	0.4
344.24225	1.0
355.40414	0.4
362.14941	2.9
362.24643	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.85188	0.5
55.01861	0.9
57.03442	0.6
57.32546	0.5
61.02914	3.8
69.03432	4.4
71.04987	1.2
73.02905	1.0
78.26110	0.6
78.48891	0.5
81.03407	2.7
85.02905	27.4
86.45488	0.6
91.03937	2.5
94.04150	0.6
97.02885	6.6
99.04446	2.4
105.07030	9.7
109.02881	2.5
123.04442	2.6
127.03902	5.9
133.05434	0.6
133.06485	50.4
137.05975	100.0
139.32675	0.5
145.04945	6.1
148.86603	0.6
160.44836	0.6
165.05450	1.2
165.09100	35.2
180.08693	3.7
183.10155	53.4
200.12944	0.9
201.41449	0.6
298.63501	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
62.37801	0.8
63.22893	0.7
68.54499	0.8
69.03438	2.0
85.02883	15.1
97.02886	3.5
99.04395	0.9
101.69632	0.9
105.07018	5.2
123.04422	19.4
127.03876	4.6
130.28743	1.0
133.05553	1.6
133.06482	32.2
137.05972	70.4
145.04869	1.1
165.09088	31.3
180.08655	2.1
183.10141	43.6
230.05167	0.9
232.04305	0.9
302.98816	1.0
358.95068	0.9
362.24088	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	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70352	0.6
55.05510	1.6
69.03446	1.2
71.16201	0.6
72.73095	0.6
77.94537	0.7
81.03449	0.7
85.02905	12.6
95.97715	0.6
97.02872	3.1
109.02843	0.8
117.21062	0.7
119.08585	0.7
120.71673	0.6
123.04423	100.0
127.03926	1.4
143.92746	0.9
145.04942	3.7
147.08011	1.5
162.67213	0.7
165.09100	38.9
167.24330	0.7
171.42226	0.8
180.08594	1.0
182.08160	0.7
183.08549	0.6
183.10194	3.8
294.13580	0.7
333.01071	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	362.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57008	0.7
53.46077	0.7
54.30899	0.8
70.06564	2.0
71.08611	5.7
72.08157	100.0
81.07082	1.3
98.06053	7.2
99.08094	1.9
109.10177	1.1
114.91220	1.0
150.91742	0.9
165.12704	1.8
179.32153	0.9
218.99127	0.8
238.67375	1.0
264.23224	7.7
291.23163	1.4
362.30518	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.6
58.06603	0.6
59.64098	0.4
66.98849	0.4
70.06218	0.5
70.06593	12.3
71.08631	0.7
71.10284	0.3
72.08132	2.8
84.08124	2.1
86.09710	3.1
88.07626	4.6
89.05998	0.6
92.61694	0.4
93.43459	0.4
102.09184	1.8
125.78332	0.5
128.49635	0.4
132.10194	13.1
146.11771	12.7
160.78835	0.4
165.73178	0.5
176.33328	0.4
212.23761	3.9
230.14752	0.5
238.25397	3.2
256.26331	9.6
300.28967	69.5
309.51147	0.4
362.32617	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	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	2.9
58.06599	0.8
58.77516	0.6
67.43373	0.6
70.06592	12.7
71.08622	1.2
72.08130	1.7
75.38624	0.7
84.08126	1.1
86.09682	1.8
88.07642	8.9
102.09166	4.1
125.34748	0.8
132.10214	11.3
146.11748	10.5
212.23737	4.6
256.26303	22.5
277.88730	0.8
300.28952	61.3
344.31683	1.1
362.32617	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	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93700	0.7
55.84966	0.7
57.07062	4.5
70.06592	10.5
72.08154	1.3
84.08116	3.1
86.09682	1.1
88.07635	6.8
102.09169	4.3
132.10196	11.9
146.11765	11.9
193.46915	0.8
212.23709	3.9
238.25221	1.8
256.26324	18.4
300.25412	1.5
300.28943	73.3
362.32620	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	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85717	0.5
57.07066	2.9
58.06604	1.0
59.42498	0.5
70.06283	0.6
70.06595	9.5
71.08640	1.2
84.08147	1.1
86.09698	0.9
88.07639	9.6
92.17970	0.8
102.09167	6.5
104.66119	0.5
105.78902	0.5
112.51869	0.8
132.10185	8.7
146.11742	9.1
149.76921	0.6
209.40097	0.5
212.23682	2.9
227.01241	0.6
238.25381	0.9
256.26346	33.8
300.28967	47.3
344.31647	1.4
354.86575	0.6
362.32620	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	362.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.6
58.06606	0.7
70.06586	11.9
71.08604	1.3
72.08119	0.7
74.86205	0.7
84.08116	1.7
88.07629	12.4
102.09178	7.7
132.10185	10.0
146.11768	7.9
169.72981	0.6
171.42627	0.7
193.37260	0.8
212.23660	1.0
239.61513	0.7
253.25327	0.7
256.26328	45.2
300.28964	47.6
344.31628	4.0
362.32596	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	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51109	0.6
57.07065	1.9
57.72710	0.7
70.06593	13.3
71.08624	0.9
72.08147	3.0
75.20646	0.7
84.08138	1.1
86.09692	1.6
87.59802	0.7
88.07626	5.9
102.09180	1.9
107.08553	1.0
108.08920	1.1
108.71751	0.8
132.10197	13.2
135.08046	9.2
136.08418	7.1
146.11761	10.6
164.53426	0.8
212.23756	3.3
238.25340	1.8
256.26334	21.1
284.20889	1.7
300.28964	66.3
362.32614	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	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46553	0.7
57.07082	5.1
62.27103	0.6
63.57409	0.6
69.42132	0.7
70.06593	10.2
71.08616	3.6
72.08138	1.0
84.08134	1.5
86.09710	1.4
88.07629	12.0
88.61947	0.6
92.96632	0.8
102.09167	5.0
132.10211	9.9
143.94911	0.7
146.11740	12.6
170.28943	0.7
170.67525	0.7
212.23781	3.1
238.25270	3.2
256.26303	35.0
300.28943	63.2
344.31439	2.6
362.32611	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	363.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18992	1.0
75.47562	1.0
85.02897	1.1
98.97582	7.8
101.00877	1.3
110.97591	1.2
118.08654	2.2
119.01906	1.5
134.99577	1.3
157.03452	2.7
161.04138	2.1
161.05571	1.0
166.08374	9.5
174.97635	5.8
175.05695	2.7
180.97975	1.2
187.05643	1.3
192.98746	1.4
198.86142	1.1
198.97632	15.4
205.05519	4.8
212.99174	11.7
216.98712	34.9
218.10811	1.3
223.06635	19.7
224.99165	2.3
231.00188	15.6
234.99762	6.4
240.98676	9.6
241.07594	1.9
242.63010	1.1
243.00211	11.5
249.01433	1.6
255.00237	25.3
258.99728	13.8
261.01166	2.5
265.08829	20.1
273.01321	26.4
296.06897	1.4
303.02353	100.0
321.03421	47.7
359.24854	1.3
363.04691	7.2
363.10202	12.0
363.16068	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	363.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17630	0.6
54.63368	0.5
55.42691	0.5
60.74049	0.6
68.14674	0.6
75.58470	0.7
75.85298	0.6
234.98795	0.6
363.10461	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	363.1049
Annotation	Flustramine F
Peak:m/z	Relative Intensity
52.18052	0.8
57.39215	0.7
65.92041	0.9
74.29240	0.8
224.36755	1.0
363.10474	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	363.1051
Annotation	Flustramine F
Peak:m/z	Relative Intensity
51.06208	1.1
51.68494	1.3
52.93319	1.4
54.85038	1.2
57.62998	1.3
63.06891	1.5
85.02882	6.6
123.04422	35.3
124.04754	18.5
147.08037	1.5
165.09099	9.4
166.09441	12.3
186.88387	1.6
206.65807	1.4
228.60645	1.3
363.10492	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	363.1049
Annotation	Flustramine F
Peak:m/z	Relative Intensity
52.97194	0.7
62.10075	0.6
66.88108	0.7
86.90277	0.8
126.87121	0.8
154.77519	0.8
185.04149	5.5
198.04721	0.8
201.05203	13.2
360.03711	0.8
363.10464	100.0
376.42740	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	363.1052
Annotation	Flustramine F
Peak:m/z	Relative Intensity
58.12810	2.8
66.13783	3.4
73.65482	3.4
78.68166	3.0
89.70711	3.8
110.81997	3.6
135.21538	3.4
162.24646	3.2
201.05219	18.0
251.42455	3.5
272.92410	4.2
363.10507	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	363.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14977	5.8
63.88819	5.5
83.60239	5.6
95.04936	10.8
109.06557	12.5
121.06490	28.1
123.04409	12.7
125.05977	10.0
133.06480	6.8
137.05951	10.9
147.08075	11.1
149.05948	7.7
153.05405	8.9
161.05972	5.8
161.09669	5.9
164.38986	5.9
179.03410	7.3
179.10690	13.9
181.04947	7.0
185.65913	5.8
205.05788	6.3
227.46683	7.4
238.87276	7.0
242.08133	12.4
245.13025	6.1
254.08174	10.7
255.85637	7.5
268.06046	82.6
281.09039	6.9
282.07703	28.0
286.07111	12.5
301.11560	11.2
304.89795	7.8
309.08801	13.0
310.07086	67.5
327.09363	43.0
328.08093	43.0
345.10760	100.0
345.17038	7.6
363.11758	50.3
363.18216	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1803
Annotation	Humirianthol
Peak:m/z	Relative Intensity
56.84723	1.6
68.09365	1.7
69.07056	2.8
69.10336	1.6
74.88181	1.6
75.21400	1.8
80.28185	2.0
81.07025	4.1
85.06508	3.4
85.17263	1.8
91.05449	2.0
92.17969	2.5
93.07022	1.9
95.08594	2.9
107.08543	1.9
111.08018	2.0
114.09112	1.7
119.08560	1.9
127.07608	2.5
129.07008	1.8
133.06422	2.0
135.04416	2.3
137.05981	43.1
149.06052	3.1
163.07515	17.3
169.10132	2.5
171.11758	2.4
177.09100	6.9
181.08600	3.2
187.07538	2.4
189.09204	3.2
199.07527	2.7
201.09082	10.8
203.06972	2.7
203.10696	2.4
211.11035	2.4
213.09052	13.6
215.10648	2.3
215.14153	2.6
221.09607	2.5
225.09132	3.7
229.08531	17.4
231.10143	10.2
235.15001	2.3
237.09058	2.6
239.10686	10.5
241.12212	4.6
243.10263	2.5
247.09628	8.6
251.10619	4.4
253.08401	2.4
257.11783	7.8
259.13235	2.0
263.14276	12.6
265.12076	1.9
266.13205	2.2
267.10236	3.1
267.13629	9.8
271.09637	3.4
281.12088	3.3
281.15317	23.1
285.14755	8.0
299.12796	8.3
299.16409	36.4
302.16992	1.9
303.15839	15.6
309.14877	8.1
309.18259	2.6
317.17441	3.8
322.15732	2.4
327.15897	25.5
327.19321	3.3
345.16940	12.8
363.17963	100.0
363.21677	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	363.1801
Annotation	Enmein
Peak:m/z	Relative Intensity
56.68446	0.6
59.04984	1.5
67.42484	0.7
69.07029	1.3
73.14087	0.7
79.49940	0.7
81.07044	4.1
85.06535	0.9
87.31976	0.8
93.07010	0.7
95.08658	1.0
109.06552	1.4
111.08082	1.3
119.24259	0.8
127.07589	1.9
163.07549	9.5
165.09178	0.9
175.07507	0.9
177.09079	0.9
179.08514	1.0
181.08586	1.9
183.08203	1.2
191.07033	3.1
197.09636	1.1
200.08340	0.9
201.09074	5.3
203.07039	3.4
211.07596	1.1
211.11153	1.0
213.09094	16.2
215.07082	1.0
215.10706	2.8
217.08588	3.6
218.09427	1.3
219.10146	1.8
221.09645	3.9
221.13106	0.8
223.11182	4.5
225.09077	5.7
227.10695	3.6
229.08577	18.1
229.12178	1.4
231.10139	10.3
233.09570	1.2
235.14876	3.8
237.12761	1.7
238.09828	1.5
239.10634	10.3
240.11441	1.3
241.12218	5.3
243.10123	5.8
247.09406	7.4
248.12007	1.5
249.12732	4.0
251.10704	3.9
252.11397	1.8
253.08583	2.5
253.12233	3.7
253.15919	1.6
255.13788	1.4
256.10907	0.9
257.11703	8.4
257.15280	1.4
259.13214	1.1
261.11087	1.4
263.14264	13.5
265.12234	1.3
266.12952	1.0
267.10181	4.3
267.13666	5.8
268.10977	1.0
269.11731	4.0
269.15424	0.9
270.12350	0.8
271.09662	4.6
271.13345	1.4
275.12747	1.2
281.11819	4.8
281.15387	23.0
283.13336	1.4
285.11163	3.8
285.14871	3.5
287.12619	1.0
291.13751	2.9
297.14703	1.2
299.12888	6.7
299.16360	41.1
303.12524	1.9
303.15732	1.3
309.14783	11.4
315.15765	1.6
317.17548	9.5
327.15924	19.3
345.16898	16.6
363.18024	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	363.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83160	1.9
58.62376	2.3
61.02928	3.2
65.76545	1.9
69.03432	4.2
69.46452	2.3
70.04922	2.7
80.16322	2.4
83.42442	2.1
85.02911	40.6
86.03244	10.3
90.76868	2.2
97.02867	3.9
105.07021	4.3
106.07323	9.0
109.02809	2.7
123.04412	15.3
124.04775	3.0
124.25051	2.2
127.03860	4.3
130.47733	2.4
133.06490	44.9
134.06815	60.0
137.05971	100.0
137.09732	2.5
137.45348	2.5
137.78154	2.2
138.06305	98.9
146.05150	2.4
165.09145	26.7
166.09428	48.7
183.10153	59.1
184.10487	80.6
185.24222	2.3
196.48189	2.1
210.10149	2.6
345.32205	2.8
363.10803	8.2
363.14893	4.5
363.24402	53.5
384.21570	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	363.2165
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.93014	1.6
55.05503	9.2
57.03189	2.5
57.03441	45.5
67.05486	13.0
78.88530	1.7
79.05496	16.3
81.07034	12.4
83.04981	33.6
83.08578	1.9
85.06574	2.1
91.05481	16.4
92.17942	2.7
93.07033	14.7
95.04938	3.5
95.08593	12.7
105.07021	15.2
107.04948	31.1
107.08559	11.2
109.06530	12.1
109.10151	9.6
111.04432	22.5
117.07013	3.1
119.08571	12.5
119.82379	1.8
121.00683	2.2
121.06486	4.7
121.10112	8.0
125.05946	2.3
129.07013	6.6
131.08543	11.0
133.06500	4.4
133.10115	7.5
135.08061	10.8
137.09579	3.7
145.06496	3.8
145.10103	7.3
147.08041	7.7
157.10103	2.6
157.58531	2.2
159.08116	6.5
161.09657	2.3
163.07535	3.2
163.11121	2.6
182.41069	2.3
189.12730	2.1
203.57712	1.9
233.15370	12.7
261.18393	4.6
271.16946	10.2
274.04715	2.1
289.17972	30.3
363.21628	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	363.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50932	0.8
55.05519	1.0
69.07065	1.1
81.07039	1.4
92.17907	1.5
92.18437	2.2
93.07083	1.1
284.23715	1.1
363.28662	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.30705	1.0
54.80684	0.9
55.01864	6.3
55.05330	0.7
55.05518	12.3
57.03441	17.1
57.07066	2.0
57.16814	0.9
57.98454	0.9
65.03947	1.3
65.85749	1.2
67.05507	58.0
69.07066	20.4
71.08618	1.2
79.05493	28.4
81.06585	2.0
81.07057	53.0
83.04965	1.6
83.08599	7.3
83.59949	1.3
85.06516	1.4
86.20187	1.1
91.05479	14.5
93.07039	32.1
95.08602	37.5
97.06530	8.7
97.10145	1.6
105.07030	11.0
107.08598	17.6
109.10162	13.0
116.88814	1.4
117.07004	2.3
119.08543	8.7
121.10134	20.4
123.11709	4.9
129.05457	14.5
131.08527	7.8
133.10112	5.9
135.08060	1.3
135.10779	1.3
135.11600	7.8
145.10098	6.5
147.11737	2.3
149.13251	4.5
159.11684	7.8
173.13243	1.5
187.14769	1.2
189.16345	1.2
205.19514	6.0
271.24106	6.9
344.37698	1.1
363.28918	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	363.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42008	0.7
55.05516	1.1
67.05494	3.8
69.07071	1.1
79.05490	1.4
85.07665	100.0
87.02566	0.9
93.07043	1.7
95.08598	3.7
107.08624	1.1
163.14828	1.0
196.41072	1.0
321.25363	4.9
345.25131	1.3
363.26300	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01179	3.3
53.25552	3.8
55.05512	6.8
57.03451	5.7
57.07082	45.4
59.12068	3.8
67.05498	23.7
69.07060	7.9
70.93944	4.4
71.08633	36.8
73.16588	3.9
79.05498	6.5
80.51212	3.9
81.07058	25.1
82.46214	4.1
82.97890	3.6
85.10181	21.2
85.45745	4.2
85.69852	4.7
89.06037	100.0
91.42807	3.8
92.18250	4.4
93.07034	8.8
95.08591	24.7
117.80849	5.0
129.05498	7.9
133.08624	32.7
138.38280	4.2
150.05583	4.2
161.36249	4.3
177.11287	6.6
182.53278	4.4
195.12259	34.3
215.13979	4.0
363.29285	32.5
363.30865	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55197	0.9
52.33598	0.8
57.08591	0.9
58.87039	0.9
60.04530	1.0
69.03430	1.5
83.04960	1.4
85.02892	1.6
98.41316	1.1
101.23193	1.0
104.57085	0.9
109.02866	1.3
111.04471	1.3
119.04929	1.8
123.04425	30.6
127.03879	1.5
135.04410	4.1
139.03899	18.7
147.04408	16.9
151.03897	100.0
153.05478	1.7
154.07628	1.1
156.10225	4.3
156.12306	0.9
156.13847	3.8
163.03937	7.2
165.05449	13.3
167.07072	4.6
173.05908	2.1
175.03888	1.6
181.04985	9.5
184.09689	13.8
185.04530	1.5
188.03812	4.0
193.04939	5.4
202.10736	4.8
202.14424	7.4
207.06511	4.4
215.07187	1.2
217.08556	1.7
222.48511	1.1
243.06345	1.5
285.07593	5.1
303.08609	99.2
319.46600	1.2
357.70718	1.1
364.10544	1.6
364.15823	2.0
364.19937	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09245	0.9
67.34421	1.2
69.96931	1.0
85.02900	6.8
93.07050	1.3
97.02875	1.6
98.54092	1.1
107.04974	4.4
135.04424	5.6
167.07019	100.0
185.08070	39.1
185.09607	2.2
198.98076	1.2
346.25500	1.5
364.18750	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	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62904	0.5
55.01878	0.9
57.03442	1.3
57.16190	0.6
61.02922	1.3
69.03435	5.7
73.02883	1.1
73.27753	0.6
74.27397	0.6
81.03419	2.7
85.02905	17.8
91.03912	0.9
91.05470	0.8
92.75765	0.7
93.07019	1.2
97.02896	6.1
98.97541	0.8
99.04454	0.9
103.05455	1.2
107.04954	56.1
109.02864	1.5
119.04951	0.9
121.06505	24.1
127.03905	12.1
131.40842	0.7
133.06491	0.9
135.04387	0.9
137.05992	1.4
145.04939	4.6
149.05975	100.0
161.06003	1.0
167.07027	9.4
178.03996	0.7
187.04329	1.2
192.70262	0.7
230.28168	0.8
263.09085	1.0
281.10202	10.7
283.07584	1.4
293.10309	1.6
311.11337	2.7
322.52658	0.7
328.25671	0.8
364.10910	1.4
364.16315	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09245	0.9
67.34421	1.2
69.96931	1.0
85.02900	6.8
93.07050	1.3
97.02875	1.6
98.54092	1.1
107.04974	4.4
135.04424	5.6
167.07019	100.0
185.08070	39.1
185.09607	2.2
198.98076	1.2
346.25500	1.5
364.18750	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	364.2692
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
50.80492	0.8
55.01874	0.9
55.05508	1.0
56.05034	0.9
60.04528	87.5
64.92506	0.7
66.12569	0.7
67.05494	6.4
67.54006	0.6
69.07070	1.7
70.06564	0.8
71.04990	1.1
72.04521	6.4
72.33483	0.7
73.05487	0.8
74.28354	0.8
79.05487	5.7
80.05031	1.1
81.07061	13.4
84.04514	1.6
89.91838	0.7
91.05480	5.8
91.55140	1.1
93.07030	8.6
94.06536	1.4
95.08594	5.6
96.08154	0.7
99.08085	3.8
100.02192	1.6
105.07014	4.5
107.04960	1.1
107.08588	3.9
109.10155	3.4
112.07581	1.4
117.07030	1.9
119.08617	6.0
121.10105	3.5
129.06998	0.8
131.04897	1.6
131.08521	4.3
132.60139	0.8
133.10109	3.3
135.11682	1.7
142.68768	0.8
145.10124	2.0
146.02702	3.3
147.07999	1.1
147.11658	1.2
149.09647	1.3
157.10135	1.3
159.11729	1.1
160.11212	0.9
161.09669	1.0
210.14873	1.0
219.11345	1.3
274.21506	1.1
278.79211	1.0
292.22617	3.0
298.34625	0.9
305.10229	1.0
310.23709	1.4
328.24683	6.8
343.71783	1.0
346.25851	100.0
364.07898	0.8
364.13571	3.9
364.19998	1.6
364.26743	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	364.3209
Annotation	Terminaline
Peak:m/z	Relative Intensity
55.05503	1.8
57.06820	0.9
57.07080	19.2
57.13898	0.6
57.35952	0.5
67.05500	1.4
67.06669	0.8
69.07045	4.4
69.79806	0.6
71.08636	12.4
74.09717	76.5
81.07050	5.3
83.08595	3.0
88.58125	0.8
93.07030	3.9
95.08581	5.9
97.06517	0.8
97.10128	1.2
99.08084	4.6
105.07012	1.4
107.08587	3.9
109.06497	4.2
109.10126	4.5
119.08557	2.9
121.10116	1.4
133.10121	1.8
135.11732	1.4
142.12286	1.1
146.40256	0.7
147.11688	1.2
151.11314	0.9
156.13763	1.0
159.11804	0.8
165.12740	6.5
170.15408	2.7
175.14845	0.9
184.16940	1.1
193.15895	1.5
198.18449	0.8
210.18407	1.6
222.53458	0.7
235.17119	1.0
266.24786	6.2
275.07443	0.7
275.59674	1.0
291.23135	11.4
346.30997	1.3
364.32068	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	365.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03396	19.6
73.11439	13.4
77.74490	15.1
84.08156	27.8
85.02923	16.9
110.20409	19.6
122.07134	77.5
129.10243	24.1
144.04752	32.8
146.46738	16.6
157.07759	14.1
203.05373	20.1
204.07695	19.7
210.21733	16.4
222.08725	62.0
234.12476	19.4
234.99019	18.3
305.09247	19.1
365.06400	100.0
365.10086	31.0
365.13644	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23905	4.1
58.20089	4.3
60.05630	4.7
80.20469	4.6
147.04427	7.5
151.03949	7.1
219.37022	5.0
241.03244	4.9
304.09058	22.9
347.12158	9.0
365.06058	100.0
365.13498	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.6
65.83179	1.9
71.38538	1.9
73.21754	1.8
81.39185	1.8
98.97553	3.5
114.96316	2.0
118.46515	2.1
121.69163	2.2
131.33145	1.8
144.17760	2.2
219.01814	2.7
221.01277	4.6
239.02318	2.4
365.06186	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	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66115	1.2
52.10466	1.1
56.26765	1.0
61.83073	1.1
63.63507	1.0
105.03384	2.6
107.65765	1.1
185.04196	5.5
185.96945	1.1
188.42940	1.1
195.52855	1.2
203.03143	92.1
256.16772	1.0
288.20801	1.4
365.08411	100.0
365.20041	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	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65151	1.2
56.44689	1.1
56.96574	1.1
81.03414	1.6
148.48927	1.3
156.38147	1.4
156.50610	1.3
170.02046	1.6
198.09929	1.5
234.12427	2.3
235.06525	2.9
251.04242	1.5
253.07735	6.9
294.66428	1.4
347.08005	7.1
347.14288	1.8
365.04636	5.1
365.08417	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	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16670	1.2
85.72792	1.6
143.01947	1.5
185.03065	1.1
185.04250	14.1
203.03333	1.7
203.05241	54.1
245.04799	1.3
365.11017	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80199	1.3
63.37207	1.3
64.86541	1.0
66.90489	1.1
85.15407	1.2
92.17879	2.8
101.94620	1.3
118.72794	1.4
152.90210	1.5
235.06563	1.9
243.00392	1.3
253.07469	1.4
269.14944	1.5
293.57343	1.4
307.94611	1.3
347.08340	1.3
365.04727	4.5
365.08350	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41452	1.1
78.21789	1.3
96.87849	1.2
119.76655	1.7
141.37437	1.5
185.04192	19.9
203.05264	67.7
245.05096	2.1
365.10278	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51319	0.9
53.51572	0.8
72.69646	0.9
74.98495	1.0
111.40411	1.1
125.99586	1.0
126.09801	1.1
148.75517	1.0
149.81921	1.0
185.02878	1.3
185.04240	12.9
186.56966	1.0
203.05267	57.8
203.92468	1.0
204.85281	0.9
260.19263	1.1
359.96567	1.1
365.10971	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13814	0.4
69.64940	0.7
102.99540	0.5
113.58272	0.6
115.33875	0.5
168.90425	0.5
185.04210	15.6
203.05264	57.9
222.00948	0.5
226.97983	0.5
236.13718	0.6
365.10587	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	365.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64670	0.8
59.45104	0.9
65.18547	1.0
85.37416	0.9
112.38721	0.9
116.50762	1.1
118.62098	1.0
123.04423	1.3
133.10117	4.2
143.38425	1.3
151.03868	3.7
151.07495	1.3
152.04178	1.1
201.28253	1.0
202.06027	1.4
203.03397	1.2
304.08942	5.3
365.12057	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	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14199	0.3
53.25886	0.5
54.03484	0.7
60.12704	0.4
63.43438	0.4
65.05410	0.4
69.03442	0.5
81.04540	100.0
85.02917	0.6
92.17950	0.6
99.05574	72.4
105.03384	10.4
107.15887	0.5
109.02885	0.6
117.39848	0.4
123.04463	0.8
244.49292	0.5
249.07738	0.7
266.78247	0.6
347.12537	1.9
365.13397	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14199	0.3
53.25886	0.5
54.03484	0.7
60.12704	0.4
63.43438	0.4
65.05410	0.4
69.03442	0.5
81.04540	100.0
85.02917	0.6
92.17950	0.6
99.05574	72.4
105.03384	10.4
107.15887	0.5
109.02885	0.6
117.39848	0.4
123.04463	0.8
244.49292	0.5
249.07738	0.7
266.78247	0.6
347.12537	1.9
365.13397	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55328	0.8
57.08451	0.8
69.03421	1.2
69.07041	1.3
72.38008	1.0
79.05463	1.6
81.07043	3.6
81.26270	0.9
91.05463	3.6
93.07033	5.3
93.90216	0.9
95.04945	4.3
95.08596	1.9
95.98052	0.9
97.02888	1.3
97.06503	2.0
104.73547	1.1
105.07014	4.3
107.08578	4.1
109.06464	2.1
111.08137	1.1
117.07014	1.4
119.08571	10.9
121.06491	6.2
121.10188	1.5
123.04456	1.1
123.08057	8.3
129.07011	1.3
131.08569	4.1
132.05399	1.0
133.06454	2.2
133.10136	1.3
135.08063	4.0
137.05948	1.5
137.09622	8.1
139.07516	2.4
143.08578	5.2
145.06487	1.4
145.10101	6.1
147.08040	6.9
149.05972	10.2
149.09599	2.0
151.07500	1.3
155.08540	1.8
157.10127	4.0
159.08025	4.7
159.11761	1.1
161.05975	1.9
161.09593	4.3
163.11174	9.7
167.08557	2.2
169.10132	7.1
171.08047	2.2
171.11667	5.3
173.09593	2.3
173.13255	1.7
175.07552	5.9
175.11032	1.4
181.10106	5.2
182.10904	1.8
183.08054	4.5
183.11665	5.2
185.09622	1.9
185.13309	1.9
187.11192	2.1
189.09074	1.6
189.12729	4.2
191.10521	1.4
193.10155	1.6
195.08116	1.6
195.11729	5.4
196.08876	1.5
196.48521	1.2
197.09586	1.2
197.13283	8.8
199.11151	4.6
201.09006	1.5
206.10965	1.1
207.11833	7.2
208.12422	1.8
208.42757	1.1
208.91046	1.0
209.09563	1.7
209.13275	4.4
211.11208	2.3
211.14836	1.5
212.87379	1.1
213.09045	3.9
213.12651	2.4
215.10672	1.2
215.14380	1.4
221.13219	5.5
222.13913	1.1
223.11287	2.1
223.14760	1.7
225.12787	11.5
227.14384	5.1
234.10292	1.1
239.14304	4.5
241.12158	3.7
243.13727	1.4
245.92622	1.1
247.08899	1.1
249.12724	4.0
251.14391	1.7
257.15323	1.4
267.13745	20.1
269.15363	1.0
285.14874	13.1
289.56390	1.1
303.15964	4.6
311.16376	1.0
317.18103	1.1
321.16934	100.0
322.17688	1.0
329.17316	1.7
347.18188	3.3
365.19565	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
57.03438	35.4
58.98694	2.3
63.14434	2.2
67.05517	29.8
71.04981	2.7
77.12031	2.1
79.05480	12.2
81.07046	12.7
85.06538	38.3
89.74064	2.6
90.35007	2.2
91.05457	9.4
93.07022	22.3
95.04960	57.5
95.08596	10.3
105.07039	5.1
107.08542	13.4
109.06509	34.2
109.10149	3.5
110.43562	2.9
111.08100	2.7
113.06001	100.0
113.67705	2.4
114.74239	2.6
117.07014	3.5
119.08576	11.2
123.07982	3.7
131.08533	16.2
133.10112	4.0
135.08070	23.2
135.11734	4.2
143.08585	4.4
145.10109	12.0
147.11694	3.2
149.09586	3.9
157.10095	4.4
159.11624	3.3
161.09581	10.6
217.15808	6.2
228.43266	2.4
233.61731	2.5
273.18454	18.5
291.19543	51.0
347.22220	3.6
365.23325	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33226	1.1
51.70472	1.1
52.84265	1.0
53.03946	1.5
55.01871	4.7
55.05518	11.1
57.03442	9.5
59.82270	1.0
67.05235	1.3
67.05511	22.7
69.07072	10.5
70.01926	1.3
71.04982	1.7
73.74917	1.1
74.85565	1.3
79.05491	22.4
81.03409	3.2
81.07053	29.0
83.04964	7.7
83.08604	5.7
85.06551	2.0
89.19675	1.2
91.05479	22.9
93.07031	23.9
95.04968	9.7
95.08600	15.0
97.06556	2.5
99.04440	1.4
105.07037	20.4
107.04949	9.9
107.08597	22.7
109.06499	5.8
109.10146	15.2
111.08051	5.9
117.06966	6.9
117.07710	1.2
119.08548	13.0
121.06470	5.4
121.10170	10.2
123.04462	1.3
123.08086	2.4
123.11664	1.7
125.09641	1.4
129.06929	1.8
131.08559	16.9
133.06511	12.1
133.10110	25.9
135.08035	14.8
135.11650	3.1
137.09589	1.9
139.07526	1.6
141.06979	1.6
143.08577	2.0
145.10109	7.2
147.08003	6.0
147.11649	5.1
149.09595	15.5
151.11194	11.3
157.10162	2.2
159.08064	3.1
159.11685	2.4
161.09578	7.6
161.13268	1.5
163.11147	2.0
164.05907	1.3
171.11589	2.0
175.11169	2.8
177.09116	2.8
245.18988	2.0
253.14378	11.1
263.20007	3.1
269.14014	2.2
273.18442	18.0
291.19528	11.4
309.20581	1.5
320.25891	6.6
338.26913	9.6
347.22098	5.4
357.50983	1.2
364.85974	1.4
365.23215	100.0
365.27771	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.93057	2.9
55.01876	4.7
55.05511	8.1
57.03436	13.6
67.05502	27.9
69.07063	7.7
79.05504	29.0
81.07060	39.9
83.04973	13.6
83.08601	5.4
91.05493	33.6
93.07033	31.2
95.04974	6.7
95.08601	22.0
97.06528	3.4
105.07021	28.2
107.04945	14.4
107.08629	34.9
109.06495	13.5
109.10183	30.3
117.07032	5.6
119.08572	6.8
121.06470	3.7
121.10152	5.8
123.11682	3.4
127.88083	3.7
130.13612	4.0
131.08592	14.4
133.06505	4.5
133.10115	50.3
135.08055	14.4
137.83363	3.5
143.08476	5.6
145.10181	5.3
147.11667	4.7
149.09615	8.3
151.11195	20.9
161.09651	5.2
169.12379	4.0
225.57846	3.8
253.14365	14.3
273.18454	13.9
291.19568	20.6
323.99347	3.4
365.23175	100.0
374.13278	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.02499	1.7
55.01864	3.3
55.05522	14.8
57.03421	7.6
60.61499	1.7
67.05509	16.6
69.03404	9.3
69.07064	28.3
79.05490	16.1
81.03391	2.5
81.07061	15.5
83.04944	2.0
83.08615	8.0
84.69970	1.7
91.05461	9.4
93.07022	12.1
95.04955	2.9
95.08611	10.2
97.02866	14.0
97.10177	23.1
105.06987	3.9
107.04915	2.1
107.08585	11.1
109.06547	2.2
109.10144	9.1
111.08042	1.8
119.08557	3.8
121.10120	2.5
123.08067	2.3
125.09596	12.2
131.08572	3.6
133.10132	3.6
137.09598	3.0
145.10117	2.2
147.11694	2.0
218.73366	1.8
223.13315	27.6
273.18582	8.9
291.19559	59.5
365.18567	3.4
365.23199	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	365.2323
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.18618	1.4
55.01880	2.8
55.05510	11.7
57.03428	8.0
67.05225	1.5
67.05508	25.7
69.03425	6.3
69.07061	17.1
79.05482	14.5
81.03418	3.0
81.07067	26.2
83.04955	6.4
83.08609	3.1
85.06541	2.6
91.05487	16.7
92.18571	3.3
93.07044	19.0
95.04957	3.7
95.08602	12.4
97.02863	7.6
97.06498	1.9
97.10151	9.8
104.58181	1.6
105.07039	13.6
107.04958	6.3
107.08549	13.2
108.91694	1.7
109.06490	7.1
109.10175	17.1
116.08135	1.5
117.06982	2.8
119.08566	8.2
121.06509	2.9
121.10118	7.5
121.26492	1.5
121.43336	1.6
125.09627	8.5
131.08563	3.4
133.10121	18.8
135.08014	8.4
135.11678	2.9
137.09578	6.5
143.08502	1.6
144.50240	1.7
145.10081	2.2
147.07974	2.4
147.11748	2.3
149.09662	6.1
151.11179	6.7
159.08034	2.0
159.11708	2.2
161.09592	2.9
175.11069	2.1
192.13052	1.7
215.12509	1.9
221.00998	1.7
223.13202	12.4
235.33641	1.8
244.97273	1.7
253.14333	2.9
263.19891	2.2
273.18469	15.6
291.19534	34.1
347.22150	3.6
365.23166	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.18788	0.4
55.92130	0.4
57.07064	0.8
63.73555	0.4
64.39933	0.4
67.05491	0.5
69.07062	0.7
71.82420	0.4
72.29137	0.5
77.85616	0.4
79.05500	0.4
81.07061	0.5
93.07040	0.7
95.08582	0.6
98.84715	0.4
103.06389	0.4
107.08617	0.6
116.14073	0.5
165.09116	0.8
194.13010	0.7
263.20297	0.5
287.21735	0.5
291.19427	1.1
347.25815	14.7
365.26852	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	366.1119
Annotation	7-(2'-Hydroxy-3'-chloroprenyloxy)-4,8-dimethoxyfuroquinoline
Peak:m/z	Relative Intensity
86.09685	2.4
109.06519	0.6
113.62373	0.4
120.08081	1.9
124.02147	0.5
134.09651	0.5
136.06168	0.7
176.05205	0.4
178.08640	0.6
185.10672	0.5
190.10815	0.8
216.35378	0.4
217.07857	0.9
228.04758	0.8
230.10429	1.6
231.11409	1.3
233.16457	0.5
234.13484	2.2
236.07411	0.5
239.08466	0.8
249.06836	0.8
261.15765	0.4
263.08475	100.0
264.09164	0.5
274.05304	0.8
291.07904	1.8
309.08807	0.5
320.10614	9.7
366.11163	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90674	0.4
62.35849	0.4
67.05510	2.1
68.09288	0.4
69.07064	4.4
78.37212	0.4
90.58117	0.5
99.08089	100.0
136.06165	6.4
142.09390	0.5
147.04414	1.2
202.10855	7.2
234.13477	81.7
366.17700	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	0.5
61.02917	0.9
67.05492	2.6
69.03436	0.7
69.07071	0.7
71.04951	0.5
81.03406	0.6
81.07047	6.7
85.02903	9.4
97.02859	2.9
99.04456	0.5
99.08093	15.8
103.31960	0.5
109.02849	0.8
123.11682	3.2
127.03884	1.1
134.09647	0.9
140.14323	10.3
141.12691	0.6
158.15387	100.0
186.14905	2.1
200.16527	0.9
202.10846	0.9
204.15936	64.5
234.13477	13.1
247.64183	0.5
366.17307	8.6
366.21707	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	366.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91477	2.5
61.16349	2.7
64.79892	3.1
86.87696	4.1
88.07628	3.9
102.77771	2.7
116.67813	3.4
177.48770	3.4
271.74359	3.1
284.29456	100.0
366.37225	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50158	1.0
64.58697	1.0
69.89583	1.2
72.93776	1.8
84.04506	1.2
92.17140	1.0
98.54192	1.1
105.79112	1.0
127.08703	1.3
132.95834	7.7
144.95807	4.3
144.99443	11.1
156.95796	5.0
158.97372	14.5
160.98932	1.3
163.00475	16.2
163.27592	1.1
168.95795	17.7
174.96887	1.9
176.98479	1.8
186.96895	7.3
187.00508	12.0
198.96902	2.4
199.00475	8.6
205.01546	19.2
216.97958	12.6
217.01532	20.7
229.01694	1.5
231.03163	2.0
234.98962	56.0
241.01588	6.1
247.02521	1.8
253.00189	2.1
289.03696	2.5
307.04733	100.0
325.05893	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	367.1305
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
55.11978	1.0
58.14942	0.9
63.64731	0.9
79.05492	1.0
80.65958	0.9
83.04964	4.2
95.04963	1.2
97.06506	1.4
109.71051	0.9
125.05946	1.3
129.06985	2.0
130.32906	1.0
138.12236	1.0
143.08530	4.0
145.06519	1.9
147.07983	1.6
153.06987	1.3
155.08498	4.0
157.10120	4.4
158.07216	1.3
159.08038	5.7
161.03619	2.0
165.06949	1.2
169.10121	1.7
171.08061	1.5
171.11636	2.0
172.08846	1.5
173.09598	5.3
181.10126	5.5
181.92836	1.0
183.08083	1.6
183.11662	1.3
184.08771	1.7
185.09589	8.5
187.11214	2.2
193.10103	1.2
196.08861	1.7
197.09627	6.6
197.13251	3.9
199.11194	18.6
200.11969	4.0
207.05721	1.6
207.11690	4.2
209.09622	1.5
210.10400	1.7
211.11183	8.6
212.11929	9.2
225.12698	6.9
230.13185	1.3
235.11157	1.5
240.11420	5.1
247.08786	1.3
253.12274	4.8
261.06607	1.4
261.10458	6.9
263.08292	1.3
289.09930	6.0
307.10947	13.1
330.11163	1.1
367.13040	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	367.1307
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
55.01879	0.6
58.07398	0.5
67.05485	3.1
69.03419	1.6
71.04980	1.1
76.97966	0.7
78.99495	0.9
79.05479	1.6
81.03397	0.8
81.07040	1.4
82.09851	0.6
83.04990	4.9
83.73810	0.6
83.82539	0.6
91.05457	1.4
93.07037	10.2
95.04931	1.1
95.08596	9.6
97.06519	1.6
100.40074	0.6
105.07014	3.2
107.08573	3.5
109.06473	1.2
109.10147	12.7
119.08566	4.8
121.06505	1.0
121.10126	4.2
123.08082	0.8
128.28677	0.7
129.06993	3.8
131.08571	5.0
133.06490	0.8
133.10146	4.9
135.07997	1.2
137.05925	0.9
137.09592	4.4
141.06949	0.9
143.02518	1.0
143.08549	6.7
145.06561	0.8
145.10124	5.9
147.08051	5.1
147.11653	1.4
149.09583	1.0
155.08565	3.8
155.10594	2.5
156.09280	1.1
157.10120	6.3
159.08037	6.1
159.11673	3.1
161.03609	3.7
161.09605	1.0
165.06853	0.8
167.08568	2.7
168.09393	0.8
169.10136	5.8
171.08067	1.5
171.11621	5.1
172.08745	0.9
173.09586	5.0
173.13321	0.8
175.07475	0.8
175.11089	1.6
179.08475	1.0
181.10136	6.8
182.10925	0.9
183.08031	3.1
183.11668	6.5
184.08804	3.5
185.09581	9.1
185.13162	0.9
187.11176	4.6
191.08466	0.8
192.09265	1.6
193.10107	3.0
195.11682	1.1
196.08795	3.0
197.09633	8.0
197.13205	4.0
198.10402	1.4
199.11171	26.9
200.11940	3.5
201.12706	1.1
207.05676	1.5
207.11684	3.0
209.09624	4.1
210.10355	4.1
211.11180	11.4
212.11954	13.6
213.09052	2.8
213.12715	3.9
215.10704	0.7
222.10417	1.1
223.14752	0.8
225.09149	2.9
225.12756	9.8
225.16324	0.8
227.10771	3.0
229.12134	3.0
230.13028	1.2
235.08896	1.0
235.11130	3.0
237.16344	1.6
238.09816	1.1
239.17920	2.8
240.11508	5.9
243.13696	1.2
245.07292	1.2
253.12215	6.2
255.17358	2.9
257.19012	1.3
261.10416	4.4
263.08127	1.4
267.17395	2.9
271.08786	2.8
271.13232	7.6
279.11523	0.8
283.16898	2.4
285.18454	6.1
289.09732	6.7
301.17944	10.2
303.19653	0.9
307.10867	10.0
313.14777	0.9
313.17868	6.0
331.19012	4.4
349.20078	13.7
367.13028	100.0
367.20645	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1305
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
69.03410	1.8
76.97938	1.4
78.99503	1.1
79.05481	1.5
81.07036	1.1
83.04972	5.7
88.16919	1.0
93.07033	1.2
97.06473	1.3
105.07009	1.4
106.12381	1.0
121.06511	1.1
125.52971	1.3
129.06975	1.3
131.08580	1.7
133.06453	1.4
135.08006	1.6
143.08545	5.5
145.06476	1.5
147.08075	2.0
155.08540	4.7
156.09248	1.3
157.10104	4.2
159.07982	6.8
161.03664	2.1
166.07739	1.7
169.10057	4.3
171.11710	2.4
173.09633	4.4
179.08601	1.5
181.06540	1.0
181.10132	8.7
183.08014	2.1
183.11684	1.4
184.08792	1.5
185.09592	10.8
187.11176	4.3
193.10068	4.1
195.11687	1.1
196.08821	2.1
197.09604	6.8
197.13394	1.3
199.11169	21.3
200.11935	4.0
201.12746	1.2
207.05679	1.8
207.11697	4.2
209.09569	2.4
210.10454	1.8
211.11153	10.4
212.11946	15.2
213.12648	1.1
220.09027	1.0
221.09402	1.1
222.10475	1.4
225.09018	1.2
225.12657	7.1
230.13005	4.1
235.11075	1.9
240.11444	4.3
253.12149	5.7
261.10315	4.8
263.08432	1.5
276.81747	1.1
289.09863	7.1
307.10910	14.7
367.13013	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	367.1363
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
60.14117	0.6
60.36890	0.5
87.15154	0.6
133.80473	0.6
135.56885	0.6
178.40379	0.6
185.04193	0.8
225.04849	0.6
264.08810	1.0
274.10605	0.7
367.13617	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	367.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95351	0.8
55.14468	0.8
60.04491	0.8
63.27054	0.9
69.03413	1.1
81.07047	1.6
81.91284	1.1
82.91785	1.0
95.08573	1.6
97.06494	1.1
109.10146	1.3
122.06017	1.3
133.10046	1.1
134.42244	1.1
158.97408	1.1
197.84441	1.2
216.25157	1.0
223.58092	1.2
231.11206	1.1
301.15140	1.3
305.10773	1.1
323.94019	1.1
367.13620	100.0
367.18500	13.5
367.28674	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	367.1363
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
55.50256	0.6
57.49618	0.6
69.86580	0.8
73.93514	0.7
135.69904	0.8
193.06863	0.8
224.39819	0.8
367.13611	100.0
367.61014	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	367.15
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
56.17677	1.8
57.10524	1.8
81.03403	3.3
82.02912	2.4
85.02904	10.8
86.03544	3.8
88.50152	2.0
91.21642	2.2
97.02924	2.4
97.62079	2.1
99.08077	4.0
103.03892	2.2
104.07049	2.1
118.06541	4.6
127.03909	4.7
130.06517	30.4
131.03452	2.7
132.08060	17.9
133.68964	2.1
144.08090	36.9
146.05997	72.4
156.08070	45.1
158.09590	3.4
159.09158	3.6
168.08002	16.5
170.06012	13.3
172.06071	10.6
180.08047	2.8
182.06018	4.7
183.09200	18.0
184.07562	4.5
186.09116	3.8
188.07053	89.5
202.08609	7.3
205.09790	2.3
210.09146	2.9
212.07092	2.8
218.01721	2.3
218.06624	10.4
222.09026	4.0
229.09709	73.0
230.08122	4.0
234.13428	2.8
245.28052	2.2
258.11264	13.7
271.10733	11.0
276.12305	10.3
303.13226	7.9
331.12930	17.8
332.11282	23.4
349.13922	100.0
349.18210	3.9
367.14578	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1687
Annotation	Capillaridin G
Peak:m/z	Relative Intensity
52.27662	0.6
54.55991	0.4
58.99586	2.0
65.72507	0.5
72.46532	0.5
91.05475	1.0
100.01571	1.1
100.02194	19.3
105.07014	3.9
116.01660	11.4
119.08543	4.9
121.10110	0.8
123.08087	0.5
123.11703	1.1
126.03783	0.6
137.58527	0.6
144.01143	8.8
146.02722	1.0
147.11711	2.3
157.04269	7.9
162.02190	16.1
192.13736	1.0
192.45245	0.6
203.04848	57.4
242.79315	0.7
263.08682	0.7
264.08780	4.1
264.14096	6.4
268.77747	0.6
284.26825	0.6
308.07037	0.6
312.47983	0.6
321.16321	4.8
367.13019	4.4
367.16901	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	367.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42923	1.5
67.22121	1.5
81.03444	3.6
81.07060	2.8
91.05441	1.7
95.38774	1.6
105.07018	3.8
107.01158	1.8
109.75434	1.5
119.08559	1.7
121.06542	2.5
129.02553	1.9
129.07065	2.0
131.08560	2.4
133.06508	2.1
135.08061	2.0
135.40274	1.7
142.07761	1.9
143.08539	7.2
145.10083	5.4
147.08009	2.7
155.08569	10.6
157.10103	37.1
159.08043	9.5
161.09624	1.8
169.10170	10.9
171.08031	3.2
171.11670	11.3
173.09583	4.0
173.13376	2.0
181.10052	11.7
182.10922	7.6
183.11719	16.8
185.09610	6.7
187.11037	2.7
192.09351	1.8
197.09622	7.5
197.13254	25.6
199.07570	1.9
199.11168	33.0
201.12665	8.3
207.11670	9.8
207.30124	1.8
209.09607	3.5
210.10478	1.9
211.11162	19.1
225.12749	25.7
227.10596	6.5
229.12134	11.9
235.11066	2.1
241.76904	1.6
243.13736	12.6
253.12263	25.2
266.69757	2.1
271.13263	100.0
289.14331	15.7
311.69543	1.9
349.16336	7.9
367.17398	15.5
380.37338	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	367.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26663	3.8
55.01867	6.4
59.62177	4.4
67.05495	18.7
69.03405	4.5
69.81484	4.8
71.04971	7.8
73.57185	4.0
79.05516	5.1
81.07060	4.4
91.05469	24.7
91.93698	4.3
92.86146	4.6
93.07038	36.8
95.04993	6.0
105.07058	4.9
107.08627	7.6
110.72800	4.6
117.07014	76.9
119.08639	5.9
125.09604	5.6
131.08594	8.1
134.28084	4.6
135.08066	20.6
143.08572	25.9
145.10043	6.0
147.08025	23.5
149.09683	4.8
151.07552	52.2
157.10063	5.0
161.05997	77.0
161.09625	24.3
171.08069	42.8
173.09595	31.3
175.07526	100.0
177.09099	51.4
179.07103	8.0
183.08017	6.8
185.09717	5.6
189.09079	71.2
195.10156	47.5
199.11122	6.3
203.10645	30.1
207.10149	80.5
213.09061	5.8
215.14311	4.4
219.10158	9.9
221.09534	19.6
221.11734	25.8
223.11235	7.8
227.10786	6.4
234.87459	4.7
243.13914	7.1
249.12672	6.6
253.12169	19.0
255.13823	24.1
271.13275	8.4
273.14795	6.5
281.15280	8.2
299.16412	42.4
313.17783	7.7
317.17462	71.8
331.18912	9.5
349.20035	47.8
367.13599	24.1
367.21344	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	367.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27239	3.8
67.05505	19.3
68.13667	3.4
72.67859	3.1
79.05476	5.0
91.05489	26.8
93.07037	43.6
107.08596	7.0
117.07017	80.0
121.06479	6.5
129.06978	4.3
133.72144	3.8
135.08067	19.3
137.06012	5.7
143.08582	24.3
145.06474	7.0
147.08069	9.1
151.07562	46.8
157.06451	5.6
161.05959	91.2
161.09593	27.7
163.07500	6.5
171.08012	43.8
175.07535	100.0
177.09116	52.1
179.07034	15.9
189.09106	75.2
195.10156	58.7
196.10426	4.1
203.10696	48.4
207.10176	97.8
208.10556	6.9
217.88625	3.8
219.10179	6.8
221.09593	14.1
221.11740	29.2
222.40271	3.8
225.11185	5.5
227.10669	6.6
238.48590	4.1
240.11185	7.5
245.11760	6.9
249.12781	8.0
253.12256	15.7
255.13753	21.5
260.13623	4.2
267.13779	5.4
271.13187	7.7
281.15408	6.6
286.15396	8.2
287.16312	6.5
299.16483	54.6
299.89859	4.6
305.16910	4.5
317.17474	74.8
349.20123	5.1
367.20807	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34443	5.7
53.03118	5.1
54.44122	5.3
54.45189	5.3
55.05504	14.4
63.07195	5.6
67.05497	31.3
69.07079	9.1
69.96398	6.3
79.05489	12.5
81.07042	25.2
83.08632	8.3
87.55856	6.1
91.05472	34.1
93.07018	43.2
95.04963	27.8
95.08636	50.4
97.06548	11.9
105.07066	60.1
107.08613	59.7
109.10149	46.7
112.92380	6.6
117.06971	6.3
119.08569	100.0
121.10117	49.9
123.11698	12.5
131.08556	34.8
133.10132	44.3
135.08057	14.6
142.07745	10.8
143.08568	31.4
144.09406	7.7
145.10120	61.6
147.11687	12.8
156.09332	10.6
157.10124	56.9
159.11699	43.1
161.09656	41.0
171.11717	15.7
173.13246	11.0
175.14664	9.0
181.10274	7.6
183.11725	13.0
185.13313	8.8
197.13260	9.7
209.13156	8.5
211.14703	9.3
223.14857	8.7
236.15080	6.9
349.25290	13.3
367.26309	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93779	0.2
53.33247	0.3
53.97988	0.3
61.39051	0.3
65.33167	0.3
84.55164	0.3
85.02879	0.4
86.09711	0.4
91.10163	0.3
117.95693	0.4
132.10104	0.4
135.27634	0.3
160.03867	1.2
176.68898	0.4
178.04984	38.0
188.03395	0.6
191.48148	0.3
206.04477	100.0
245.94707	0.3
368.09744	17.5
374.76746	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	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87712	0.2
58.37101	0.2
69.03434	0.3
69.60754	0.2
70.28126	0.2
70.42762	0.3
71.04961	0.3
72.08161	0.3
72.85120	0.3
80.34248	0.3
85.02889	0.4
86.09702	0.4
91.66158	0.3
109.70535	0.3
119.80782	0.3
135.08101	0.3
143.10674	0.3
160.03870	0.4
168.03635	0.6
177.04137	1.6
178.04979	38.5
186.04703	1.2
206.04474	100.0
209.03305	0.4
233.06773	0.4
242.07289	5.2
308.05109	0.6
310.58600	0.3
321.86841	0.3
347.73886	0.3
368.09720	19.9
368.19113	0.7
373.49521	0.3
385.98199	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	368.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08906	0.4
56.96537	0.5
58.06601	1.2
61.65585	0.5
62.56196	0.4
70.36543	0.4
74.09342	0.8
74.09718	16.4
98.97569	4.1
100.07571	0.7
116.98606	1.1
124.00657	0.6
142.01717	0.6
172.21835	0.6
174.04346	5.6
179.02341	0.7
192.05414	1.9
203.03419	1.3
206.20772	0.5
216.05429	100.0
221.03198	0.6
230.07004	4.0
234.06465	26.2
248.08070	2.9
259.38980	0.5
281.88770	0.5
308.10141	28.7
368.08212	1.0
368.12033	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	368.1703
Annotation	Isatidine
Peak:m/z	Relative Intensity
59.19672	0.7
65.78611	0.7
67.22533	0.7
71.04980	3.5
71.44820	0.7
81.07018	1.2
85.61788	1.0
109.02867	1.1
109.05260	9.3
110.06045	1.2
120.04414	5.9
122.06009	1.6
135.06747	1.3
136.07576	5.0
139.96509	0.8
146.05998	8.6
148.07542	1.6
153.01830	0.9
154.49289	0.9
158.30125	0.9
160.07619	1.6
170.70891	0.8
174.09154	11.8
178.12180	6.8
187.56699	0.8
188.10750	8.2
189.11478	100.0
206.11749	88.4
368.17023	65.1
368.21677	2.1
390.86484	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01606	0.4
60.06621	0.4
60.55389	0.4
66.91783	0.4
79.05496	0.5
80.58250	0.4
81.06992	0.4
83.04987	2.3
95.04958	0.6
95.42798	0.5
105.07023	0.5
107.08591	9.2
109.06479	0.6
109.10163	1.0
111.08077	2.5
119.08577	100.0
121.10136	3.5
123.08049	2.4
125.05988	0.5
131.08583	2.3
133.06474	7.4
135.08035	2.7
137.09624	3.0
139.11156	0.5
145.10078	0.7
147.08051	4.1
149.09593	2.2
151.11223	1.1
157.10159	0.6
159.08076	2.1
163.11217	0.7
174.00735	0.4
177.09129	0.8
185.13278	0.9
189.09300	0.5
195.11746	0.8
199.11232	0.7
211.14861	0.7
213.12701	4.3
231.14050	0.6
237.16403	0.6
241.12148	1.7
241.80374	0.5
251.17992	0.5
255.17406	12.3
259.13235	0.7
266.24347	0.6
279.17410	0.9
297.18466	3.1
315.19531	94.5
327.15799	0.6
327.68701	0.5
333.20593	3.8
361.52881	0.6
368.24280	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07519	1.1
54.72955	1.0
55.01879	1.6
55.05518	14.3
56.05839	2.3
57.03424	6.4
57.73807	1.1
60.11736	0.9
60.22401	1.0
67.05510	12.5
67.09959	0.9
67.41374	1.1
68.05838	2.1
69.07067	21.1
70.07383	6.6
70.22610	1.1
71.08626	33.9
72.08966	10.6
78.62941	1.1
79.05497	10.9
80.05804	1.6
81.03427	2.1
81.07078	11.9
82.07404	2.6
83.04988	2.4
83.08613	5.0
86.67806	1.1
91.05476	4.6
93.07023	7.9
94.07351	4.6
95.04959	1.9
95.08596	6.2
96.08911	1.9
97.10146	10.3
98.10479	5.3
99.08095	11.3
100.08421	4.6
104.21251	1.2
105.07018	5.6
106.07362	1.5
107.08594	6.8
108.08866	4.7
109.10117	5.8
109.58968	1.2
110.10477	1.9
117.07040	1.6
119.08553	2.0
125.09623	4.8
126.09957	2.2
133.10135	2.0
135.07959	1.2
139.11166	1.6
148.44922	1.1
159.11742	1.2
167.10654	1.5
189.11133	1.2
190.11708	1.3
213.52786	1.3
276.20343	9.3
293.20999	14.1
294.21426	87.6
368.25092	100.0
368.42261	2.0
380.38797	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	369.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21584	2.5
65.73753	2.6
67.64162	2.4
69.03429	5.9
70.90208	2.4
73.52745	2.2
81.03403	3.3
84.61104	2.6
85.02901	13.3
109.02935	2.7
110.07088	2.9
122.53442	3.0
129.00035	2.4
132.95834	11.2
158.97395	3.4
163.03891	11.3
166.03940	3.4
168.15775	2.5
168.86734	2.8
170.97430	2.7
175.04427	4.4
176.98187	2.5
184.04927	16.7
189.05814	4.3
198.04706	3.2
207.05067	3.6
207.06943	11.8
225.00514	18.8
234.98970	4.0
244.37077	2.8
251.04451	5.2
267.01727	3.3
269.05438	12.5
272.08304	28.9
279.01837	3.2
369.05566	100.0
369.11484	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12869	2.4
61.22723	2.5
75.50883	2.4
77.21333	2.5
79.95196	2.5
97.09312	3.0
103.05450	4.0
104.92146	2.7
110.07150	4.0
127.03992	3.0
131.04950	18.3
154.34572	2.9
163.07541	3.1
188.02412	2.9
369.05029	3.9
369.09430	100.0
369.15402	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	369.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66628	2.3
67.21114	2.6
85.02922	3.9
86.09698	4.1
120.08161	2.4
127.07537	2.5
136.06245	3.0
144.00237	2.7
147.11708	2.4
147.12947	2.4
151.03958	2.7
219.01776	2.9
225.06802	2.1
323.17310	2.6
369.09354	100.0
369.14740	6.8
369.16397	6.3
369.20227	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	369.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29929	0.6
56.80950	0.6
64.00056	0.7
73.43955	0.5
74.30189	0.5
77.07714	0.6
77.91994	0.6
78.53551	0.6
84.90874	0.6
85.02883	1.1
90.21598	0.7
103.87663	0.6
127.03996	0.8
129.80882	0.6
178.05017	3.7
179.05301	2.7
206.04486	4.6
207.04921	7.7
219.04779	0.7
225.33742	0.6
244.04181	1.1
288.07831	1.0
351.09766	1.4
369.11542	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	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61997	0.6
51.88612	0.6
53.50046	0.5
58.65355	0.5
69.03413	0.7
73.58616	0.6
95.04959	0.7
99.05914	0.7
108.81505	0.7
111.02586	0.7
178.04955	1.0
179.05281	0.9
189.05876	1.2
189.07462	0.9
206.04514	3.5
207.04797	5.4
207.06834	10.5
288.52042	0.8
333.71997	0.7
369.11563	100.0
371.56561	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	369.1695
Annotation	Kanzonol P
Peak:m/z	Relative Intensity
61.56149	0.5
86.50148	0.5
96.25810	0.6
98.13962	0.6
107.99693	0.6
121.06557	0.8
133.06525	0.6
147.04407	5.2
180.61807	0.6
189.05487	0.7
226.09888	1.0
231.10347	0.8
240.11487	0.9
241.08598	1.3
242.09317	0.6
251.07072	0.7
253.12241	0.9
255.10249	1.3
256.10962	1.4
257.11664	2.6
265.12253	0.7
268.11005	5.2
269.08154	3.6
270.08896	3.8
271.13300	0.8
281.11630	0.8
283.09567	2.9
283.12967	1.0
284.10373	10.2
285.11078	5.0
293.11777	0.8
294.09088	1.2
294.12302	0.9
296.10385	1.3
297.07806	1.0
297.11237	1.0
298.11914	3.7
299.12787	17.8
308.10464	0.7
308.13943	0.9
309.11237	1.0
310.15594	1.0
311.09290	1.0
311.12756	8.0
312.09894	3.9
312.13629	2.2
321.11169	1.3
325.14322	2.4
326.11670	1.2
326.15076	11.0
327.12274	17.8
327.15750	1.8
336.13498	0.7
337.14365	0.9
339.12109	3.9
341.17456	12.1
354.14590	6.2
369.16956	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	369.1695
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
52.13253	1.5
62.95139	1.4
69.13091	1.7
85.02876	4.0
91.05453	2.7
92.62274	2.1
93.07018	10.1
105.07012	7.7
107.08600	2.1
109.06487	2.2
119.08533	3.6
121.06479	3.4
123.08039	1.7
129.06975	2.4
131.08554	8.8
133.06453	7.8
133.10123	2.5
135.08066	3.0
137.05968	2.0
143.08574	3.3
145.06546	1.8
149.05943	4.0
151.07600	1.8
155.08521	2.5
157.10231	3.3
159.08023	11.8
161.05962	1.9
161.09593	2.6
163.05864	1.5
169.10077	2.6
171.08063	2.5
173.09677	2.0
179.08568	7.1
180.09343	2.0
181.10136	1.8
192.09377	2.9
193.10173	9.3
194.10840	3.8
195.11710	3.5
197.09619	2.7
197.13251	2.1
203.76447	1.7
205.10114	2.2
206.10905	4.0
207.11714	8.4
209.09485	3.9
209.13217	3.6
211.11168	17.8
213.12720	2.3
214.11761	1.8
216.11465	6.5
219.11562	4.8
220.12531	6.6
221.09746	3.2
221.13226	3.5
222.10431	2.3
223.11162	7.9
225.12726	8.8
227.10646	3.2
229.40427	1.8
230.10872	2.0
233.09581	4.0
235.14771	8.8
236.11955	2.2
237.12712	18.4
238.09790	1.9
238.13347	2.6
239.10611	3.4
239.14333	2.7
241.12332	2.5
245.13243	1.8
247.11366	2.2
248.11958	9.5
249.12830	3.8
253.15971	3.2
263.14444	11.9
265.12173	10.3
266.12952	2.4
267.13766	6.6
273.12845	2.7
276.11374	3.0
281.15308	15.3
285.14722	3.0
291.13776	8.5
297.14682	2.6
309.14810	33.7
327.15897	32.6
351.15784	3.4
369.16956	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	369.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58140	1.6
52.13214	1.5
54.54842	1.5
55.05497	2.1
69.03412	1.8
76.29611	2.3
76.81841	1.7
83.04971	7.7
84.05268	1.9
85.02870	3.8
85.43510	2.1
91.05482	3.5
93.07027	7.7
93.79873	1.7
95.04957	4.0
95.08582	3.1
100.17907	1.7
104.43163	1.7
105.03374	8.4
105.07042	3.7
106.03696	1.9
109.06496	2.9
119.08581	7.8
121.06506	2.5
131.08521	7.9
133.06465	7.8
133.10161	3.2
143.08563	7.0
149.02066	1.8
149.05998	3.2
155.08534	2.4
155.20703	1.9
157.10168	2.0
159.08067	13.3
167.08490	2.7
169.10176	2.6
177.35692	2.0
179.08521	2.4
181.10106	8.1
183.11667	2.3
187.07507	2.3
192.09344	2.5
193.10088	10.6
194.10902	2.9
195.11676	3.8
197.09569	3.0
199.11330	2.4
205.10083	2.4
207.11731	4.4
209.09637	2.3
209.13287	2.7
211.11136	16.6
213.09222	2.0
216.11494	2.9
219.11908	7.8
220.12460	7.9
221.09709	3.1
221.13284	7.5
222.10352	3.7
223.11189	4.3
224.11981	2.6
225.12616	6.4
230.10846	3.4
234.10371	2.6
235.11223	3.2
235.14836	9.5
237.12781	10.6
239.10651	7.0
247.11197	3.0
248.12024	7.5
249.12788	8.3
253.15776	4.3
263.14279	14.6
265.12195	7.9
267.13718	3.6
276.11322	2.7
281.15198	14.4
285.14737	3.0
291.13770	11.9
297.14807	2.4
309.14804	35.0
327.15881	28.5
341.17413	2.3
351.15997	3.1
361.08234	1.9
369.16940	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	369.1696
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
51.87817	1.4
55.01877	1.8
58.15574	1.3
64.62774	1.2
67.05497	2.2
75.10097	1.4
79.05490	2.8
81.07046	6.8
84.71166	1.3
85.02897	2.4
91.05464	6.9
93.07022	9.3
95.04940	5.3
95.08572	2.5
105.07017	9.7
107.08588	3.4
109.06545	2.5
109.96417	1.5
117.55231	1.6
119.08542	6.4
121.06495	6.7
121.10102	5.5
123.04433	1.5
131.08574	8.6
133.06476	3.0
133.10085	7.6
134.03627	2.1
135.08028	2.5
137.05983	8.8
137.09662	1.5
143.08574	8.1
145.06432	2.0
145.10155	3.1
149.05980	5.6
155.08553	2.6
157.10078	2.2
159.08063	14.6
161.05962	5.7
161.09621	6.4
166.07770	1.7
167.08609	1.6
167.37691	1.7
169.10115	2.4
171.07990	1.7
179.08566	6.3
180.09325	1.8
181.10118	2.5
183.11664	7.9
185.09595	3.3
192.09392	2.1
193.10097	5.8
194.10909	2.8
195.11656	3.5
196.08957	2.5
197.09592	6.4
197.13303	2.6
201.08987	1.6
205.10074	2.3
206.10956	5.6
207.11667	3.4
209.09648	2.5
209.13240	2.7
210.10486	1.7
211.11179	16.6
216.11443	3.3
219.07930	1.8
220.12431	7.3
221.09628	2.5
221.13254	8.3
222.10384	2.4
223.11205	8.4
224.11943	3.6
225.12839	7.0
227.10605	2.0
230.10919	3.0
233.09663	2.4
234.10587	2.0
235.11244	1.9
235.14790	6.3
237.12639	12.5
239.10594	2.4
239.14316	2.1
245.13177	3.3
247.11156	3.4
248.11964	9.7
249.12616	2.0
251.10550	2.7
251.14330	3.6
253.15794	5.5
263.14258	14.3
265.12302	13.6
266.12961	2.7
267.13852	6.3
279.13834	1.6
281.15430	13.4
283.13177	2.0
285.14822	2.2
291.13849	11.0
297.14948	2.0
309.14844	41.8
327.15872	26.6
341.17264	2.1
351.15939	2.3
369.09702	4.2
369.16956	100.0
369.24161	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69239	1.9
53.73010	2.4
59.40593	2.0
61.17451	2.1
63.38407	2.1
66.37770	1.9
66.83120	2.4
69.03440	15.6
81.03417	3.7
85.02903	35.2
95.08594	10.0
103.91345	2.6
105.07020	5.5
107.08614	3.4
109.02873	3.2
115.72321	2.2
119.04940	2.6
119.08579	14.2
121.10155	9.1
123.08031	2.4
123.11698	14.4
127.03851	5.0
133.10136	10.0
137.09608	9.1
145.04984	3.0
145.10129	5.5
147.08020	5.3
147.11685	13.1
149.09622	26.4
151.11174	26.6
156.09354	4.2
159.08176	2.4
161.09586	3.3
161.13196	16.1
162.35674	2.2
163.11154	20.2
166.39545	2.2
171.11665	13.1
174.10382	42.8
189.12738	100.0
191.14282	17.8
207.13785	53.8
351.18005	4.9
369.15201	7.7
369.19064	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Manaarenolide B
Peak:m/z	Relative Intensity
57.03445	1.4
67.05492	1.8
69.07076	2.9
72.66354	1.0
79.05488	1.6
81.07052	11.6
82.65016	1.0
83.04988	2.4
83.71429	1.0
84.38490	1.1
93.07014	2.5
95.08602	2.4
99.07362	1.2
105.07023	1.4
107.08597	4.7
109.06505	5.2
109.10133	2.1
111.04438	18.6
119.08624	1.8
121.10125	4.6
125.05971	2.3
131.08528	1.4
133.10153	2.9
135.08047	1.8
135.11714	5.5
137.05972	100.0
137.13309	1.4
147.11679	6.5
149.09633	2.2
151.07509	1.8
151.11180	1.5
157.10135	1.6
161.09583	6.1
161.13353	1.0
165.09128	1.6
165.80643	1.1
167.93843	1.1
175.11194	6.8
175.14790	1.2
201.40097	1.2
203.17975	5.9
213.16519	1.6
221.18951	2.3
231.17581	5.2
247.95378	1.1
249.18620	3.9
277.17978	50.5
292.51971	1.3
295.19070	5.3
332.88461	1.3
351.21625	19.9
369.18344	5.3
369.22638	22.6
391.89072	1.3
394.96628	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	369.2421
Annotation	Neurymenolide A
Peak:m/z	Relative Intensity
57.07079	81.3
58.76884	1.7
60.46379	1.8
65.05754	2.0
66.14798	1.8
68.38259	1.8
69.07064	11.8
69.53178	1.9
70.23233	2.0
75.25665	1.8
81.07052	4.6
83.08610	3.4
83.50948	2.1
85.06538	2.7
91.05460	1.9
93.07055	4.7
95.08598	11.1
102.91833	1.9
105.07005	5.0
107.01950	1.9
107.08604	3.4
113.06051	2.1
117.07047	3.5
119.08603	3.3
119.67242	1.7
121.06519	3.7
121.10179	8.5
121.57826	2.1
131.04939	4.7
131.08562	4.0
135.08054	3.5
140.50996	2.1
141.06941	2.5
143.08565	2.6
145.06451	19.9
145.10132	10.7
147.08046	28.6
147.11682	9.6
155.08577	3.0
157.10165	9.9
159.08009	2.5
159.11685	4.6
161.05995	2.4
161.09578	2.4
163.07526	24.2
169.10065	6.9
171.11742	4.6
181.10065	3.1
183.11723	11.2
189.09148	2.1
195.11703	2.8
197.09634	2.4
197.13307	4.1
199.11221	10.5
199.14871	3.4
206.10883	3.5
207.11769	6.9
209.13226	3.2
211.11235	10.2
221.13310	4.3
239.14307	3.7
239.17955	12.6
249.16399	7.7
267.17416	100.0
285.18518	36.0
318.59460	2.4
369.24124	93.0
369.28598	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	369.2636
Annotation	15(R)-15-methyl PGF2alpha
Peak:m/z	Relative Intensity
55.01865	3.0
55.05513	26.0
57.03431	15.4
60.18512	2.4
67.05504	64.3
69.03406	2.4
69.07075	24.4
71.04982	5.4
71.08634	21.5
79.05483	43.6
81.03412	6.2
81.07059	79.5
83.04972	13.6
83.08601	19.8
84.05767	2.9
85.02921	2.9
85.06538	2.9
91.05489	37.2
93.07043	64.5
95.04983	11.9
95.08613	37.2
97.06506	16.4
97.10165	16.8
99.08082	11.1
105.07017	26.8
107.08591	33.8
109.06520	5.9
109.10161	31.7
117.07022	4.4
119.08588	21.0
121.06459	3.8
121.10146	17.5
123.11680	6.2
125.05984	2.7
125.09612	4.1
127.03883	3.6
131.08582	12.8
133.10133	22.7
134.36336	2.7
135.11719	13.2
139.11206	4.3
143.08565	3.6
145.10147	6.4
147.11682	16.0
149.13251	11.5
151.11143	25.8
157.10124	4.3
157.46617	3.1
159.11673	5.4
163.11159	5.2
165.12759	6.3
171.11607	4.5
179.08566	3.0
179.14267	4.0
184.97090	2.9
189.11200	4.3
194.11032	4.1
195.13855	10.2
201.09079	3.2
207.11771	3.2
207.13658	6.2
227.12866	5.4
253.18002	3.2
259.20529	4.8
263.14423	4.6
269.17392	36.9
275.04129	3.5
277.21564	31.6
295.22665	4.1
309.14624	3.6
327.15744	4.4
351.25342	37.9
369.16965	21.7
369.26401	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01873	2.4
55.05516	23.9
57.03447	15.8
59.45035	2.1
67.05183	2.7
67.05509	52.1
69.03438	3.4
69.07072	20.0
71.04964	3.7
71.08631	10.5
79.05493	33.1
80.36366	1.9
81.03409	3.2
81.07066	63.6
83.04965	9.8
83.08620	22.1
85.06532	4.1
91.05478	26.3
92.17834	3.7
93.07043	50.3
95.04957	9.3
95.08588	30.4
97.02865	2.1
97.06525	12.1
97.10172	7.7
99.08086	9.8
105.07015	19.4
107.08591	29.9
109.02831	2.1
109.06506	4.6
109.10142	17.4
111.04349	3.1
111.08054	4.2
117.06999	4.1
119.08575	12.3
121.10128	17.9
123.11665	3.9
125.09590	3.3
129.07034	2.7
131.08588	8.7
133.10114	20.6
135.11687	12.8
137.05968	17.1
143.08568	2.5
145.10129	3.8
147.11641	13.8
149.13203	14.5
151.10025	1.7
151.11160	12.7
159.11673	7.7
161.09528	2.2
161.13251	4.8
163.11159	3.5
165.12708	3.3
171.11687	7.9
175.11125	2.8
175.14871	2.8
177.12762	2.5
189.12744	2.4
195.13818	8.4
197.90219	1.9
207.13803	7.3
221.13422	2.3
221.15512	2.6
249.22156	2.3
269.17468	36.3
277.18393	4.3
277.21616	21.2
295.22659	3.1
351.25354	23.7
369.09711	10.4
369.16861	4.1
369.26373	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	369.2638
Annotation	Betaenone B
Peak:m/z	Relative Intensity
50.96977	1.3
52.52504	1.7
52.77958	1.5
55.05514	7.0
57.03436	2.9
67.05508	23.8
69.07059	7.0
71.08630	37.1
75.35265	1.5
78.25346	1.8
79.05504	23.5
81.03407	2.4
81.07061	32.0
83.04956	3.6
83.08624	4.1
86.95123	1.6
91.05470	13.7
92.18525	4.1
93.07040	43.7
95.08597	19.1
97.06506	8.4
97.10177	2.4
99.08094	19.7
105.07018	12.5
107.04935	7.1
107.08590	27.8
109.06560	1.9
109.10146	10.8
111.08108	2.1
111.96123	1.7
116.98363	1.8
119.08570	9.3
121.10155	14.9
129.06998	2.2
133.10132	11.2
135.11665	19.8
137.09564	3.0
143.08597	2.0
147.11717	2.7
149.13255	7.1
151.11169	12.4
159.11681	2.6
161.13268	10.1
163.11063	2.3
172.54094	1.6
179.14301	66.0
179.15799	3.6
184.33722	1.9
195.13898	1.8
244.55579	1.7
277.21609	51.0
303.05673	1.9
351.25287	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	370.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02391	0.5
53.54010	0.3
55.69278	0.4
57.07085	7.4
60.04520	2.5
62.28305	0.4
69.03437	2.9
71.04986	0.5
77.03949	0.4
79.85469	0.4
80.05014	0.5
81.03424	6.4
85.02895	2.3
85.06546	7.4
87.70087	0.4
96.04498	0.5
97.02881	4.0
99.04436	0.8
103.07598	0.6
105.87565	0.4
107.04964	2.4
109.02855	4.6
123.04421	0.5
124.03947	100.0
127.03899	4.2
131.04932	2.5
145.04968	0.8
145.08612	0.5
148.07553	0.5
182.74330	0.4
190.08562	0.5
199.25877	0.5
206.50537	0.5
208.09782	1.9
229.10748	4.0
236.86491	0.4
247.11691	0.9
261.88022	0.4
284.39639	0.5
324.16592	0.5
370.14825	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	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
54.79488	1.0
66.79676	0.9
67.00381	0.9
69.03434	16.4
71.04980	1.6
73.02890	0.8
78.03447	9.3
78.13648	1.0
81.02983	1.4
81.03423	30.6
85.02905	10.6
92.18541	1.2
96.04467	1.6
97.02872	6.3
99.04449	6.3
106.02915	97.7
109.02879	26.2
124.03944	100.0
127.03897	10.8
182.54408	0.9
196.05960	1.0
239.20842	1.0
250.07088	37.5
263.44739	1.1
268.08151	28.9
278.02750	1.0
314.41763	1.2
351.38721	1.2
352.13889	31.7
352.17807	1.8
370.14853	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	371.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53416	0.7
62.49554	0.7
69.03419	1.6
70.95823	0.8
81.03411	5.5
85.02905	0.9
90.94811	1.4
91.05453	1.9
94.39885	0.8
97.02885	3.6
109.02863	7.1
109.06515	0.8
110.03229	1.9
119.04906	3.0
121.06500	1.0
128.96300	0.9
131.04907	5.5
132.05246	5.3
132.95808	7.4
134.09639	3.7
135.10008	4.2
137.04996	1.3
137.05984	29.8
140.96320	1.5
144.95827	3.5
158.96193	1.4
158.97395	26.1
170.97401	3.4
174.96895	1.0
176.98409	4.4
186.96899	4.3
188.98357	1.0
194.97404	1.4
198.96866	7.0
204.97997	1.4
208.98952	30.3
216.97931	18.6
222.96989	0.8
227.00006	22.4
234.98972	47.1
251.00011	8.7
262.99954	4.2
269.01041	5.0
275.00067	1.3
277.01437	1.9
281.01181	1.9
286.99979	6.2
293.00876	0.9
305.01123	7.2
319.29623	0.8
353.03189	3.5
371.04227	100.0
371.14108	4.0
371.18845	15.5
390.34344	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	371.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11836	0.8
69.03390	1.2
71.04993	0.9
72.93729	1.0
81.03403	3.4
86.93022	0.9
90.94795	1.3
91.05476	3.5
97.02851	2.0
98.78471	1.0
103.58285	0.8
109.02864	1.7
116.10724	0.9
119.04939	1.8
123.04374	1.7
128.96269	1.3
131.04924	6.2
132.05220	4.6
132.95840	7.3
134.09618	1.1
135.09937	2.1
137.04994	1.4
137.05978	28.0
140.96257	1.5
144.95810	1.9
158.97392	24.9
170.97456	1.2
176.98445	4.5
186.96880	5.4
188.98482	1.1
198.96880	6.2
208.97105	1.4
208.98944	25.2
216.97923	17.4
223.34401	1.0
226.99983	25.7
234.98938	45.9
247.00504	1.2
250.99989	7.9
259.97385	1.5
263.00107	7.2
269.01068	2.0
275.00049	1.2
281.01114	3.8
286.99872	8.8
305.01114	6.1
353.03110	4.9
371.04193	100.0
371.19135	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	371.0972
Annotation	Fraxin
Peak:m/z	Relative Intensity
50.01594	0.2
50.78837	0.2
51.02386	0.4
53.00315	0.3
55.01858	0.3
57.03411	0.3
61.02914	1.1
61.65828	0.3
69.03436	2.2
74.79768	0.3
81.03410	1.2
85.02903	7.9
97.02868	1.8
109.02911	0.8
127.03899	1.0
127.05019	0.4
145.04950	1.4
172.26242	0.3
194.02065	2.7
197.78558	0.3
209.04434	100.0
230.29822	0.3
251.89122	0.3
371.09598	1.7
371.16965	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	371.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24766	2.3
58.12903	1.9
63.58043	1.8
67.66293	2.0
73.04761	77.7
75.02676	3.3
85.06028	2.0
89.84898	2.2
91.05236	3.8
91.05797	100.0
95.94767	2.0
102.93925	2.2
109.19816	2.1
118.65781	2.4
132.16798	2.3
142.67676	2.5
266.99991	4.8
268.97852	13.7
285.00961	73.7
285.04102	2.7
299.06143	17.3
355.06989	92.7
371.10233	10.2
373.08069	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	371.1339
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
59.38819	0.5
60.41341	0.5
63.78370	0.5
70.30177	0.5
74.20319	0.6
81.03401	1.2
85.02890	0.6
86.06039	0.7
89.03893	0.8
91.08514	0.5
114.09165	1.1
117.03379	7.0
123.04428	0.9
145.02838	54.5
147.04456	2.1
149.06000	4.3
151.03902	2.4
177.05455	100.0
186.37135	0.5
219.10156	0.7
371.12109	1.2
371.16779	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37319	0.9
53.03944	1.1
57.03439	1.1
62.06092	24.4
69.03439	2.0
70.06616	0.9
78.03443	1.1
81.03403	5.4
85.02885	1.7
85.54069	0.8
86.06062	10.2
87.04444	1.6
87.12894	0.8
104.07106	47.5
106.02905	15.3
109.02866	4.0
111.05557	4.1
123.04395	1.2
124.03946	95.4
127.03896	1.6
146.85513	0.9
151.03914	1.6
165.10222	29.2
192.06802	0.9
198.69196	0.8
204.91402	0.9
209.04544	1.5
209.12833	18.1
248.74240	1.0
250.07063	1.3
268.08136	100.0
309.46448	0.8
371.13843	14.9
371.17966	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	371.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	5.8
75.00464	2.7
76.19151	3.3
78.89683	3.6
81.07037	4.2
85.02895	6.1
93.07071	5.5
95.04947	25.0
95.08598	8.2
97.01895	3.0
98.97578	16.0
99.04422	5.0
105.07021	7.0
106.02892	5.1
107.08595	6.4
109.10191	6.0
112.05090	5.5
119.04891	4.6
121.10132	4.6
123.04375	26.4
123.08059	8.2
124.03949	6.2
127.03879	3.8
131.08563	4.6
133.10132	16.4
135.08047	5.0
137.05966	7.9
147.04391	17.3
149.09639	5.2
151.03908	69.7
153.09073	8.0
161.13326	4.1
165.05505	13.3
173.13254	8.4
177.05429	15.1
191.14285	13.6
203.07047	3.7
209.11563	4.4
209.15413	20.1
219.10132	47.6
295.09537	5.0
371.06485	4.6
371.15536	96.6
371.16269	100.0
371.22318	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	371.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20353	3.4
59.45364	2.8
69.03413	4.4
69.07044	3.2
71.04967	3.9
74.24398	3.2
80.88413	3.4
81.07056	8.0
85.02913	6.1
95.04954	23.0
95.08601	4.0
98.97565	7.8
99.04438	4.9
102.18663	3.5
107.08569	4.3
109.02873	4.2
109.10185	5.3
119.04947	3.8
120.24540	3.3
121.06498	3.5
121.10140	4.2
123.04377	26.5
123.08031	6.6
133.10139	24.2
137.05974	7.0
145.10117	4.4
147.04419	16.2
151.03911	62.1
153.09123	5.8
157.58138	4.0
165.05467	14.3
173.13254	8.5
191.14189	8.2
209.15288	14.8
219.08095	4.7
219.10086	43.6
277.08069	3.2
344.21539	4.2
358.93253	3.7
371.05734	15.8
371.16422	100.0
371.22113	14.8
380.27808	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	371.1489
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
53.03954	1.1
54.31750	1.2
55.01899	1.2
55.05495	1.7
56.80368	1.2
58.95567	1.1
60.27282	1.0
63.45507	1.1
67.20885	1.2
69.07067	3.0
70.68811	1.1
79.05470	1.5
81.03402	1.5
81.07077	8.8
85.21492	1.4
91.05467	2.1
91.96777	1.1
93.07022	5.5
94.10468	1.1
95.04973	1.5
95.08589	7.4
97.01694	1.3
107.04961	1.6
107.08568	1.7
109.10138	3.1
119.04895	7.0
121.06502	2.0
123.04424	79.5
123.08062	5.3
133.06470	1.6
133.10144	1.7
137.05914	1.7
139.03857	6.0
143.04866	1.4
147.04414	51.4
149.05951	25.0
149.09560	5.3
151.03900	75.8
161.05930	12.6
163.03906	6.8
165.05464	34.5
169.04933	3.1
169.10056	1.4
173.25044	1.4
177.05470	17.2
177.09065	1.7
179.06969	5.8
181.04999	1.8
182.16017	1.5
189.05432	2.3
193.05008	1.6
201.09131	3.2
207.06557	11.4
207.10065	2.3
213.12814	1.4
219.10156	100.0
231.10187	1.6
249.11151	2.6
265.15707	2.0
303.08588	7.8
311.16431	2.8
329.17361	1.9
353.13675	2.4
371.14804	95.1
371.18335	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	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.29981	0.6
53.73528	0.5
66.55280	0.6
87.04478	0.8
89.06026	20.5
99.56213	0.7
105.03380	2.8
133.08591	9.2
144.10107	0.7
177.11218	4.6
191.10347	5.4
200.71190	0.6
203.05234	9.0
369.17899	0.7
371.16675	100.0
371.22437	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	371.1852
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
59.27273	1.8
67.05495	4.1
69.03436	2.8
69.07063	3.6
76.13496	2.1
79.05478	2.3
81.03419	3.1
82.63360	2.2
84.24702	2.0
91.05483	5.1
92.17822	3.3
93.07025	5.3
95.04945	3.1
95.08620	3.3
97.02893	2.5
105.07023	11.5
107.04989	4.0
107.08596	5.0
109.06476	3.3
109.10162	3.2
111.08093	2.4
119.08549	5.5
121.06506	8.4
121.10128	2.3
123.04438	8.5
123.08067	11.2
129.07008	2.7
133.10139	3.7
135.08064	3.8
143.08545	4.8
145.10115	9.2
147.04410	2.5
147.08104	3.8
149.09651	2.5
151.03819	4.9
155.08565	3.9
157.10086	10.3
159.08035	10.2
159.11699	3.8
161.09599	12.1
161.31584	2.5
165.06999	2.2
166.07744	2.9
169.10068	3.4
171.08037	3.6
171.11682	12.2
173.09616	8.7
175.11276	3.7
179.08537	3.6
180.09273	2.7
181.10097	12.1
183.11700	4.9
185.09708	4.0
185.13321	2.5
187.11174	3.6
189.09113	2.4
193.10147	9.2
195.08212	3.0
195.11696	14.9
197.09631	9.2
197.13286	5.4
199.11089	20.6
206.10965	3.3
207.11713	5.4
208.12469	4.4
209.09602	8.9
209.13211	3.0
211.11166	5.3
211.14778	2.8
213.12769	5.2
217.10095	3.2
219.10173	10.2
221.13203	4.3
222.13968	4.4
223.11203	10.5
223.14767	8.5
224.11926	2.9
225.12747	10.4
227.10663	11.2
229.12143	3.2
231.47267	2.5
232.12411	8.6
235.11191	2.8
236.12120	2.9
237.12692	3.6
237.16434	4.5
239.14217	12.9
241.12256	3.9
247.14862	3.1
249.12575	2.9
251.14268	5.6
255.17325	3.1
265.15869	14.6
267.13788	3.8
269.15335	8.7
275.14407	3.5
281.15320	2.8
283.16843	23.1
285.14792	2.4
293.15283	22.2
311.16370	67.9
328.23907	2.5
329.17447	36.7
335.77136	2.3
353.17490	3.1
371.14084	3.8
371.18515	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	371.1851
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
55.15487	2.4
62.34198	2.0
67.05485	2.1
69.03416	2.7
72.35548	2.4
83.04968	4.6
90.64151	2.4
91.05464	3.3
93.07040	3.9
94.86849	2.4
95.04951	2.4
95.08588	4.3
105.07027	14.5
119.08567	4.3
121.06491	3.0
121.10226	3.0
131.08591	2.8
133.06496	15.1
133.10135	3.5
143.08527	3.7
145.10133	4.2
147.08101	2.9
155.08519	3.4
156.09306	3.9
157.10130	10.5
161.09619	3.5
169.10104	41.9
171.07918	3.3
171.11665	15.0
173.09535	12.6
180.09291	3.5
181.10120	14.6
183.11600	2.7
184.08829	3.3
185.09618	10.0
187.11124	5.0
189.12680	3.6
193.10162	6.0
195.11717	16.2
197.09648	4.2
199.11205	33.8
207.11766	5.7
208.12411	4.8
209.09586	11.2
209.13280	4.1
211.11192	3.8
211.25589	2.7
213.12712	4.3
215.10490	2.8
215.14297	11.6
217.12137	4.0
223.11067	3.5
223.14761	5.6
225.12811	4.3
227.10689	5.1
232.12309	3.8
236.12076	3.2
237.12689	3.0
237.16420	3.9
239.14258	6.0
241.12180	3.5
247.14732	2.7
251.14305	6.1
253.15930	5.4
255.17517	4.5
260.16443	3.1
265.15793	23.4
269.15460	3.4
281.15295	4.1
283.16992	17.9
293.15314	15.6
311.16321	45.0
340.40942	3.0
371.18484	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	371.185
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
52.74978	1.1
52.99443	1.2
53.93283	1.1
55.01856	1.5
57.07054	1.5
62.34564	1.4
62.91827	1.2
67.05508	1.5
69.07047	1.9
79.05475	1.7
86.30338	1.3
91.05459	1.6
93.07046	3.3
95.04971	1.7
95.08546	1.7
98.53059	1.3
105.07001	7.3
106.62972	1.3
107.08554	3.2
109.06500	2.3
117.07061	1.8
119.08545	2.6
121.06494	3.1
121.10131	1.6
123.08035	1.8
129.06985	2.0
131.08560	3.2
133.06450	2.5
133.10114	3.5
135.08012	1.7
143.08551	7.3
145.06487	2.3
145.10124	2.7
147.08052	2.6
149.09679	1.9
155.08488	2.5
157.10115	8.6
159.08067	3.0
159.11714	2.4
161.09587	3.4
165.06917	2.8
167.08525	2.7
169.10103	5.9
171.08005	2.5
171.11696	9.6
173.09567	6.5
175.11240	1.9
179.08563	1.8
180.09337	2.7
181.10075	12.0
182.10876	2.3
183.11682	3.1
185.09637	6.5
189.12648	2.4
193.10147	6.6
194.10992	1.7
195.11613	10.6
197.09578	7.0
197.13269	5.4
199.07491	2.1
199.11182	15.5
201.08954	1.6
205.10126	2.1
206.10680	1.8
207.11711	6.9
208.12512	3.2
209.09590	7.6
209.13240	5.4
210.10432	1.4
211.11160	2.4
213.09248	1.7
213.12708	5.5
221.13120	5.0
222.14034	3.2
223.11186	7.4
223.14743	5.6
224.11961	2.1
225.09152	1.8
225.12703	3.0
227.10635	9.2
229.12477	1.6
232.12537	3.2
236.11990	2.4
237.12659	6.2
237.16327	6.1
239.14275	9.5
241.12184	2.7
241.15881	2.6
247.14873	5.9
249.12753	2.7
250.13409	3.0
251.14259	5.5
253.12215	5.6
253.15852	1.5
255.10097	2.9
255.13922	2.6
255.17380	3.3
265.15982	11.1
267.13779	8.8
269.15326	3.4
275.14432	2.0
281.15399	5.5
283.16873	11.0
293.15289	15.1
311.16379	44.6
329.17474	33.3
371.18503	100.0
385.43948	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	371.1851
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
51.31877	1.7
67.05510	2.2
67.21166	1.5
67.59740	1.6
69.03432	2.7
69.07066	4.1
81.03376	3.5
83.04968	2.9
83.08627	2.1
91.05484	3.9
92.17802	4.0
93.07017	10.9
95.04953	12.0
95.08600	4.3
97.06486	3.9
97.64075	1.8
105.07014	11.2
107.04893	1.8
107.08565	9.1
109.06519	6.9
119.08566	10.9
121.06480	9.6
121.10139	3.5
123.08074	7.9
129.06960	3.3
131.08548	10.2
133.06456	3.0
133.10126	8.9
135.08044	2.3
143.08517	9.3
145.06454	7.4
145.10100	3.9
147.08011	4.7
149.05881	1.8
149.09572	10.6
155.08510	8.1
157.10101	12.1
159.07999	4.4
159.11725	3.3
161.06000	3.1
161.09666	15.3
163.11131	3.4
165.06979	2.1
167.08536	4.5
169.10054	11.7
171.08003	3.4
171.11674	12.2
173.09612	8.3
175.11156	4.0
177.09131	3.1
179.08501	4.1
180.09288	2.4
181.10100	18.9
183.11708	2.9
185.09630	10.5
185.13231	2.5
187.07619	2.2
187.11183	4.1
189.09093	2.4
191.10472	2.2
193.10162	11.0
194.10751	2.4
195.11681	20.3
196.08844	2.2
197.09598	10.3
197.13281	7.5
199.11140	16.4
201.09062	2.6
203.10530	2.4
205.10214	3.2
206.10838	2.7
207.11665	7.6
208.12430	3.3
209.09579	14.7
209.13206	3.4
210.10324	3.4
211.11140	7.8
213.12799	4.6
213.16415	2.1
215.10654	2.4
217.08344	2.2
217.10199	3.4
219.11736	2.4
221.13152	3.8
222.10423	2.2
222.13890	6.6
223.11154	11.5
223.14793	11.5
225.09146	2.5
225.12878	6.4
227.10640	8.8
232.12335	4.6
233.13185	2.8
235.11188	9.8
236.11887	3.6
237.12708	4.7
237.16292	9.7
239.14236	8.1
241.12209	4.4
241.15891	2.7
247.14658	3.1
249.12630	7.5
250.13470	10.7
251.10582	2.7
251.14293	9.6
253.15894	4.2
255.10115	2.1
260.12006	2.9
263.14258	2.8
265.15817	27.7
267.13858	7.4
268.53836	2.1
269.15332	4.2
275.14291	2.7
278.12955	2.5
281.15311	3.7
283.16849	22.5
285.14801	3.7
293.15366	26.6
311.16391	65.4
329.17371	20.7
353.17569	3.8
371.13974	3.3
371.18472	100.0
376.30365	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	371.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19489	3.4
52.50413	3.5
55.01875	3.4
63.83769	3.6
67.05539	4.6
68.85674	3.5
69.03418	5.8
72.87767	3.1
75.05383	3.3
79.05479	8.0
81.03424	4.4
81.07054	24.8
85.02917	4.2
91.74414	3.6
93.07031	16.7
95.04964	16.6
95.08601	15.4
105.07035	23.6
107.04947	4.4
107.08577	7.8
119.04951	16.7
119.08561	9.8
121.06486	23.9
121.10097	5.9
123.04411	83.7
123.08067	6.7
131.08559	6.8
133.06487	17.0
133.10101	42.8
134.54179	4.1
134.99683	4.4
135.08047	8.5
137.05959	5.9
139.03915	8.1
143.08569	6.4
145.10135	15.2
147.04393	71.5
147.08029	16.5
149.05983	29.7
149.09615	9.5
151.03891	100.0
161.05972	16.5
161.09613	21.8
163.03870	5.7
163.07497	4.2
164.07101	4.4
165.05466	42.3
166.29498	4.3
169.10120	15.3
171.08127	5.3
171.11684	25.4
173.09660	4.3
175.11115	6.4
177.05461	8.4
179.06920	4.8
181.04973	4.4
181.10138	8.7
185.09641	7.9
191.07001	6.0
191.14491	4.1
193.10162	8.6
195.11749	14.3
197.09492	6.0
197.13097	4.1
199.11215	9.1
207.06482	6.4
207.11751	4.4
209.09537	6.3
209.13351	5.6
209.15382	8.0
210.10364	6.3
219.10143	75.3
221.13222	5.1
223.11171	6.1
223.14738	7.3
225.12729	4.6
227.10619	4.4
232.12526	6.1
235.10954	5.2
237.16306	5.4
239.14388	4.8
247.14824	7.5
250.13591	5.4
255.17558	4.3
265.15875	20.8
267.13916	4.6
283.17035	6.4
293.15326	19.6
303.08606	9.1
310.64297	17.5
311.16357	50.6
329.17496	9.6
371.14835	38.7
371.18973	80.3
384.22647	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	371.1852
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
53.47483	1.4
57.76043	1.4
79.05463	3.2
81.03405	1.9
89.54790	1.9
91.05476	2.0
95.04945	2.7
95.08598	3.4
105.07001	12.6
107.08568	2.1
117.07016	2.7
118.05254	2.0
119.08536	4.2
121.06463	7.6
123.07985	2.5
131.08562	8.9
133.06483	7.7
135.08028	3.7
143.08542	8.8
145.10124	9.9
147.08040	2.1
149.09579	2.6
151.07553	2.4
155.08543	3.7
157.10091	7.3
159.08023	10.6
159.11630	2.9
161.09598	12.0
169.10161	3.7
171.07985	2.1
171.11629	2.9
173.09578	7.3
179.08464	2.5
181.10110	3.8
183.11713	2.7
185.09583	4.3
187.11096	4.4
189.09024	2.4
193.10126	3.2
195.11626	12.0
197.09669	4.5
197.13263	2.4
198.91003	1.9
199.11148	7.9
207.11673	4.4
209.09593	7.2
209.13234	8.9
210.10278	2.7
211.11176	11.3
213.12700	2.9
215.10620	2.1
221.09593	2.1
221.13235	3.4
223.11174	10.1
223.14795	4.1
224.11824	3.6
225.12732	3.6
227.14313	2.8
232.12419	3.5
235.14731	3.4
236.11864	3.7
237.12721	6.9
237.16270	2.3
247.14865	2.6
248.11842	2.8
249.08926	2.1
249.12865	3.9
250.13483	4.2
251.14487	6.5
253.12242	3.1
253.15884	2.5
260.11884	3.1
263.14209	9.1
265.15741	18.1
267.13843	3.2
269.15402	6.8
275.14310	7.6
281.15338	6.7
283.17111	6.5
293.15198	12.8
311.16406	30.8
329.17435	13.5
371.18484	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	371.1852
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
55.69345	3.4
81.07076	4.4
87.65257	3.4
91.05512	4.1
93.07031	6.6
95.08593	4.0
105.03362	3.8
105.07034	15.4
107.08579	5.5
109.06602	3.9
119.08546	6.9
121.06483	14.4
123.08051	40.8
131.08531	8.3
133.06447	7.5
135.08018	8.0
137.05937	7.8
138.44884	3.8
143.08592	6.6
145.10138	6.4
147.07983	7.2
149.09596	4.4
155.08589	6.2
157.10052	7.3
159.08105	4.9
161.09599	17.8
165.06917	5.1
169.10164	5.1
171.08025	4.1
173.09612	8.8
181.10106	6.7
183.11708	5.3
185.09724	5.3
187.11223	4.3
193.10149	7.8
195.08075	6.1
195.11714	15.2
197.09612	15.8
199.11174	8.4
207.11720	6.5
209.09683	6.5
211.11183	18.6
213.12636	7.8
214.10440	4.5
215.14381	18.0
219.06534	5.1
219.11575	6.2
221.13469	4.7
223.11115	15.2
223.14876	8.3
225.12761	15.6
229.67937	4.6
237.12737	7.5
237.16432	5.1
239.14317	14.5
247.14919	7.0
250.13620	6.6
251.14343	8.4
265.15933	19.0
267.13837	4.8
269.15527	4.7
275.14331	15.8
281.15454	15.9
283.16922	9.5
292.03436	4.5
293.15347	40.6
311.16397	58.6
321.78131	4.4
329.17493	32.6
371.11267	6.3
371.18457	100.0
371.22351	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05515	2.5
69.03439	3.0
72.88541	2.7
74.07217	2.9
81.07043	13.4
85.02881	13.8
85.06523	7.2
91.05440	3.8
93.07021	15.2
95.08576	12.6
97.29584	2.6
101.75471	2.9
105.06999	29.9
107.08580	13.0
109.10157	7.0
111.33681	3.5
119.08610	20.7
121.10126	17.9
131.08557	16.5
133.10124	42.3
147.04408	4.0
147.11687	5.3
151.11171	100.0
161.13255	23.5
163.14815	6.1
173.13295	22.7
174.14262	3.5
179.14235	7.1
181.18561	3.1
191.14308	19.8
209.15352	45.0
222.45894	2.8
234.22583	3.3
256.89774	3.2
371.16721	41.6
371.21515	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
60.54227	0.5
69.03420	3.4
81.03402	1.1
81.07040	0.8
81.15228	0.6
85.02905	10.2
93.07061	0.7
95.08581	0.8
97.02860	3.9
102.69687	0.6
105.07063	0.7
107.08582	4.1
109.02866	0.9
109.06520	1.3
111.15556	0.6
121.10128	3.5
127.03920	2.8
133.10143	0.9
135.08005	1.3
137.09566	4.8
145.04970	1.4
147.11650	1.0
149.09615	100.0
149.13303	2.8
151.03839	0.8
151.11160	5.2
165.12752	14.5
173.13310	1.2
177.05495	0.8
191.14333	12.1
209.15355	54.6
313.00482	0.6
371.16681	20.7
371.20798	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03431	1.6
57.34854	1.2
61.02933	2.8
67.05508	2.1
69.03421	3.1
69.07076	2.7
70.38750	1.3
71.04996	2.2
81.03424	2.8
81.07051	1.9
83.04967	2.3
83.92014	1.2
85.02909	19.6
91.05499	1.7
93.07045	8.8
95.04973	2.4
95.08604	48.3
97.02883	1.9
97.06535	11.7
99.04462	1.5
102.49075	1.4
104.13585	1.6
104.21459	1.4
105.07064	7.1
107.08598	7.8
109.10158	5.6
111.50769	1.3
119.08593	6.7
121.09379	1.3
121.10096	10.2
123.04473	6.2
123.08089	1.9
123.11710	5.5
125.09689	1.9
127.03968	2.4
131.04997	3.4
131.08601	7.1
133.10123	100.0
135.08073	1.8
135.11708	2.3
137.05986	10.0
143.42853	1.7
145.05002	2.8
145.10121	2.8
147.04442	2.9
147.11743	2.1
149.09639	3.0
149.13313	5.7
151.03966	7.1
151.11154	16.5
158.10968	3.1
161.06010	1.8
161.13377	1.7
163.14807	1.8
171.08041	1.9
173.13257	31.5
191.14302	48.9
191.15871	2.0
194.10307	1.4
209.15363	16.8
217.08685	1.6
219.10223	3.2
284.82297	1.5
297.11279	1.8
353.20728	1.6
371.16876	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
54.70652	2.9
56.65208	3.2
60.55138	3.4
67.05486	3.9
69.03420	5.2
71.05016	3.7
74.89826	2.7
81.07040	4.1
83.04966	6.5
85.02888	13.7
92.18571	4.3
95.04958	20.7
95.08607	19.2
107.08588	33.5
109.10142	17.4
121.06505	3.4
121.10143	19.1
123.08062	19.8
124.53205	3.8
125.09585	14.7
133.10136	19.3
135.08061	14.1
137.09654	3.6
139.11169	6.5
147.11725	6.8
149.09610	6.5
149.13264	24.3
151.11160	77.4
153.09096	5.2
163.14819	16.8
164.74872	3.4
173.13280	16.2
177.21768	3.9
191.14316	73.0
193.56400	3.3
209.15355	100.0
215.14342	4.1
225.02011	3.4
274.96286	3.8
371.18250	5.3
371.22247	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54599	0.7
61.02925	1.6
62.65548	0.9
69.03444	6.6
69.54395	0.8
81.03423	4.9
81.07037	1.1
83.04992	0.9
85.02911	24.6
91.03963	1.3
95.04961	3.7
95.08583	3.2
97.02888	5.6
99.04488	1.0
107.08593	6.4
109.02866	2.8
109.06505	3.9
115.35159	0.9
121.10133	9.0
123.04417	1.9
123.08047	1.2
127.03890	4.9
133.02376	0.9
133.10121	1.1
137.09608	8.5
145.04919	4.5
147.04456	1.4
147.11650	1.3
149.09625	7.2
149.13261	5.8
151.03932	4.8
151.11177	13.9
165.12746	45.5
173.13232	1.9
191.14319	13.1
209.15359	100.0
219.10193	3.4
264.48013	0.9
286.12680	1.1
371.15051	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	371.2215
Annotation	Ferocinin
Peak:m/z	Relative Intensity
54.79988	0.8
58.35483	0.9
93.07027	5.4
95.08641	1.2
99.34660	1.1
108.16138	1.0
109.06499	2.4
121.06505	1.2
123.08064	46.9
131.08525	1.2
131.88210	1.2
135.08101	1.4
137.05962	1.5
137.09622	2.0
145.10126	2.2
147.08131	1.4
157.10144	1.6
159.08022	2.0
160.35809	1.0
161.09653	4.9
173.09607	4.5
174.10455	1.2
175.11205	1.3
187.11218	1.3
201.12724	2.6
215.14305	21.5
231.13882	1.8
243.13649	1.4
247.13152	1.6
249.14989	1.2
281.21884	1.1
301.18271	1.1
335.19882	1.3
353.21097	5.4
369.62411	1.0
371.22159	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	371.2215
Annotation	Ferocinin
Peak:m/z	Relative Intensity
51.24722	0.8
52.73612	0.8
52.74772	0.7
56.96446	0.8
63.74320	0.8
81.07040	1.5
83.25054	0.9
90.40823	1.0
91.05487	1.1
92.18455	1.1
93.07027	5.5
95.08575	1.2
96.23627	0.9
105.07024	1.4
107.08656	1.2
109.06526	5.8
119.08514	1.8
121.06503	0.9
123.08065	46.8
135.08025	1.9
137.09607	3.3
143.08607	1.0
147.07994	1.5
149.09613	2.0
155.08484	1.0
157.10080	1.5
159.07986	1.1
159.11728	1.4
161.09592	3.4
165.18375	1.0
171.11777	1.2
173.09648	3.2
173.13318	1.2
187.11160	2.1
187.14796	1.0
189.09090	1.4
197.13287	2.1
199.11134	1.8
201.12740	2.2
213.12848	0.8
215.14323	22.1
224.33658	0.9
225.12665	1.3
229.12190	0.9
231.13786	0.9
237.28664	0.9
243.13828	1.4
248.75139	0.9
249.14749	1.2
267.17749	1.0
335.20047	3.7
353.21115	6.8
371.22153	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	371.2214
Annotation	Ferocinin
Peak:m/z	Relative Intensity
52.12193	0.7
74.54968	0.7
81.07028	1.4
91.05472	1.2
93.07024	5.1
95.08617	1.5
103.90721	0.8
104.39848	0.8
105.03435	1.1
105.07026	1.2
107.08604	1.4
109.06493	4.3
113.95589	0.7
121.06507	1.2
121.10130	1.1
123.08053	48.9
131.08543	1.8
133.10118	1.2
135.07956	2.7
137.09583	3.7
143.08533	1.0
145.06593	0.8
145.10127	1.9
147.08064	1.6
149.09581	1.6
151.07532	0.9
153.75793	0.8
157.10118	3.4
159.08141	2.9
159.11659	1.1
161.09590	4.5
169.10132	1.7
171.08061	1.3
171.11623	0.9
173.09598	5.2
173.13248	1.5
175.11151	1.4
178.65192	0.8
183.11691	1.4
186.93211	0.8
187.11221	1.3
187.14801	1.3
197.13295	1.7
199.11232	1.3
199.80753	0.8
201.12709	3.3
207.11801	0.7
211.11287	0.8
213.12735	1.2
215.14310	23.4
225.12576	1.1
227.14243	1.0
229.12218	1.2
231.13649	1.6
241.35477	0.9
243.13779	1.9
247.13271	3.0
249.14951	1.0
307.20770	1.1
317.18808	1.2
335.19949	3.5
353.21115	6.8
371.22156	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	371.2217
Annotation	Ferocinin
Peak:m/z	Relative Intensity
50.03912	0.5
51.37975	0.4
60.34134	0.4
72.96701	0.4
81.07061	0.6
92.18446	0.6
93.07001	3.8
95.08612	1.0
96.49659	0.5
105.07009	1.0
107.08600	0.7
109.06523	4.9
114.06581	0.6
119.08545	2.2
121.06510	2.4
123.08057	41.3
125.09550	0.7
129.07004	0.6
131.08585	1.1
135.08035	1.2
137.05940	0.8
137.09587	1.3
143.08569	2.1
145.10129	2.1
147.08044	2.7
149.09607	2.2
155.08566	0.6
157.10107	2.3
159.08017	2.7
159.11703	2.6
161.09595	2.8
171.11693	0.7
173.09621	4.1
173.13271	2.8
175.11118	1.2
183.11708	1.2
187.11127	1.1
187.14828	1.1
189.09103	0.5
195.11484	0.5
197.13208	1.3
199.11162	1.0
201.12746	3.5
213.12692	0.8
215.14301	19.7
229.12146	0.7
231.13745	2.0
243.13771	1.3
247.13196	1.0
249.14821	1.2
261.14850	1.2
277.16119	0.6
279.17322	0.6
307.20566	0.6
311.19720	0.7
335.19858	2.4
353.21045	4.8
371.22144	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	371.2217
Annotation	Guayulin D
Peak:m/z	Relative Intensity
53.50736	2.3
67.05502	2.4
81.07038	9.5
82.42621	2.1
87.74088	2.4
87.90841	2.1
92.17955	3.4
93.07036	4.4
95.08576	4.0
105.07015	4.2
109.06528	3.0
109.10155	8.6
117.06916	2.8
119.08586	5.2
121.06525	3.4
123.08044	19.3
131.08640	2.5
133.06511	2.8
133.10123	5.0
136.98854	2.3
137.06024	2.6
147.08002	4.1
147.11769	2.5
159.08011	3.0
161.09621	3.2
163.11200	2.9
167.75735	2.5
169.22147	2.3
171.08124	2.4
173.09642	4.0
173.13229	3.6
175.11247	2.8
177.68538	2.4
183.11684	5.4
185.13239	3.5
187.11238	2.8
187.14751	3.1
195.11658	3.3
197.09433	2.7
197.13309	5.1
199.11200	3.3
201.12747	10.6
211.11261	2.8
215.14355	9.7
223.14812	3.0
233.13275	2.7
233.15411	9.6
237.12656	4.4
239.14369	2.7
251.14436	2.7
265.15878	4.0
279.17496	5.5
287.09250	4.9
293.15451	4.1
311.16580	3.0
326.58716	2.7
335.19919	27.8
353.20981	26.7
353.73181	2.2
371.14783	19.8
371.18585	11.6
371.22253	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86964	0.6
55.05517	8.3
57.03445	8.3
57.07087	13.7
67.05514	10.0
69.07075	17.3
71.04993	1.2
71.08630	8.9
72.74397	0.6
79.05493	5.2
81.07063	20.3
83.05014	0.9
83.08619	19.2
85.06556	1.1
85.10194	6.0
93.07051	8.2
95.08605	19.8
95.89930	0.7
97.06542	5.9
97.10172	11.3
107.08594	10.0
109.10146	10.7
111.08082	4.8
111.11706	3.2
115.07534	1.2
121.10143	11.7
123.11687	4.3
125.09616	4.2
125.13248	0.9
135.11694	11.0
137.13245	1.0
139.11211	4.7
147.11697	0.8
149.13257	6.3
153.12698	1.0
161.13222	2.6
163.14810	3.9
167.14249	0.7
177.16356	1.2
233.22708	2.6
251.23569	1.0
279.23163	3.3
284.66058	0.7
297.24017	0.7
307.32202	0.7
315.25314	21.6
353.26981	5.8
371.27914	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	371.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	3.4
58.06596	1.2
67.95242	0.3
69.07059	0.5
71.08623	3.2
81.07036	1.8
83.08608	0.5
85.10172	1.9
95.08595	2.6
109.10143	2.1
111.11708	0.5
123.11678	0.5
128.37305	0.3
142.34470	0.4
174.34492	0.3
208.61650	0.4
209.13162	0.3
211.20604	2.4
268.26318	100.0
311.16464	0.5
350.67673	0.8
371.18518	0.5
371.32547	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	372.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93524	2.1
56.94302	0.8
59.57834	0.6
67.02674	0.6
69.07050	0.8
70.95850	1.0
71.15640	0.5
72.93781	4.4
79.05486	3.0
80.77444	0.6
81.03404	0.8
81.07062	1.0
86.41682	0.6
87.30507	0.6
90.94821	3.8
91.05486	4.1
93.07018	3.0
95.08607	0.7
105.07014	3.2
107.08521	0.9
114.58302	0.6
116.96362	1.2
119.08578	3.4
120.38797	0.7
121.64159	0.6
126.98394	1.0
128.96317	1.4
130.97917	0.7
132.95859	0.7
133.10213	0.6
134.98969	0.8
138.98380	1.3
144.95801	0.8
144.99545	0.8
146.97382	0.6
146.98909	0.7
149.00473	1.4
151.02054	1.0
154.97791	0.7
163.02000	0.7
164.99965	1.0
165.03593	2.3
165.97090	0.6
166.97900	3.1
178.97960	1.0
179.01512	1.0
179.05145	0.6
180.99387	1.5
184.98915	1.0
189.03584	1.4
192.99483	1.4
193.03003	0.8
195.01016	1.2
199.00500	0.8
199.02200	1.1
201.03578	2.3
202.97774	0.6
203.05196	1.3
213.03659	1.3
215.05133	1.1
221.02589	1.1
225.03690	0.9
227.05171	3.4
239.05280	1.1
240.05946	0.8
243.06815	0.8
247.00407	0.6
253.06697	1.1
255.08466	0.9
275.07291	0.8
279.08328	8.6
281.09845	15.3
283.11505	4.1
289.08646	1.2
301.08917	0.7
325.08963	0.8
327.10294	5.3
329.08627	0.7
329.11938	28.5
331.13495	100.0
349.14597	12.3
372.16104	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	372.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38128	0.7
55.08264	0.7
55.93526	0.9
56.33073	0.7
56.54561	0.8
67.05481	0.8
69.44005	0.7
70.95844	1.5
72.93779	2.0
76.46018	0.8
79.05500	3.4
81.07038	0.9
90.94816	1.9
91.05495	1.8
91.70570	0.7
93.07024	3.2
102.94772	0.9
105.07025	3.8
105.43922	0.8
108.08637	1.0
116.96375	1.0
119.08588	2.9
126.98436	1.7
128.96332	2.0
130.97931	0.9
140.99918	1.0
147.11653	1.1
165.00023	2.0
165.03616	0.9
165.97105	1.1
166.97928	1.6
178.97791	1.3
187.00586	1.5
189.03665	0.9
191.96722	1.1
192.99466	1.4
193.03020	1.0
195.00975	1.1
199.00453	1.4
200.02777	1.0
201.03546	1.1
207.04637	1.1
209.02579	1.4
215.05080	1.4
225.03745	1.7
227.05119	3.7
229.06802	1.2
243.06616	1.1
253.06671	1.6
255.08437	1.8
277.06604	1.0
279.08408	6.8
281.09888	15.8
283.08719	0.9
283.11240	5.9
289.08954	1.3
327.10355	4.5
329.11969	29.2
331.13510	100.0
347.12982	1.1
349.14645	7.7
372.16214	3.8
372.26254	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	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
56.05024	1.0
59.60698	0.7
69.03423	10.0
69.07060	1.7
75.15043	0.7
78.03451	5.1
78.64199	0.7
80.82475	0.7
81.03427	16.6
85.02915	10.2
92.18493	0.8
97.02881	3.9
97.27402	0.8
99.04452	1.8
106.02917	65.3
109.02882	13.8
109.30208	0.8
116.56423	1.0
123.04395	0.9
124.03945	100.0
127.03923	6.7
144.08005	0.8
149.09601	5.0
149.51062	0.8
150.09975	8.8
165.05424	1.0
177.05498	4.9
182.06824	0.8
198.45758	0.9
209.15376	1.0
210.15685	5.4
220.97827	0.9
232.05980	1.9
250.07065	15.6
268.08124	52.8
270.08755	0.9
286.09308	1.0
329.10315	0.8
372.16644	16.5
372.20605	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	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.83255	0.6
56.05025	1.5
69.03420	7.2
69.07072	2.8
69.13313	0.6
78.03448	4.4
81.03414	14.6
81.68089	0.9
85.02900	9.6
87.08102	0.9
96.04461	0.8
97.02882	4.2
99.04436	2.8
106.02912	62.3
109.02876	12.7
116.96417	0.7
120.67354	0.8
123.04366	0.8
123.08057	0.7
124.03940	100.0
127.03910	5.4
165.05450	1.2
166.04985	1.1
177.05467	4.1
181.38763	0.8
220.09692	1.4
232.06017	2.9
237.20953	0.8
250.07068	10.3
268.08124	64.3
353.27225	0.7
372.16776	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
54.25043	0.6
57.03425	0.9
59.54466	0.6
69.03429	7.6
69.07069	2.7
78.03432	4.1
81.03415	14.5
85.02895	13.0
97.02885	3.4
99.04429	1.7
101.79263	0.7
106.02911	65.8
109.02871	12.5
113.62009	0.7
124.03945	100.0
125.42521	0.6
127.03882	6.1
134.10454	1.0
151.11160	1.7
152.11600	1.1
166.04927	0.8
171.43465	0.7
177.05505	1.0
198.41557	0.6
210.15550	0.9
232.06023	3.1
235.40567	0.7
250.07091	9.9
268.08127	68.8
286.09241	0.9
372.16669	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	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
57.03456	1.7
61.02917	2.7
69.03433	15.7
73.02906	1.4
81.03411	2.9
85.02907	28.5
87.04447	1.8
91.03922	1.3
91.05479	84.7
97.02889	14.9
99.04472	2.1
103.05449	1.6
109.02862	7.4
119.04932	17.8
124.03946	6.5
127.03884	7.9
134.09647	32.9
139.76254	1.1
146.15678	1.4
158.41537	1.0
166.88098	1.1
170.15906	1.2
192.41185	1.1
210.11253	100.0
278.43845	1.1
372.16519	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2168
Annotation	Andersobine
Peak:m/z	Relative Intensity
53.53228	0.5
55.05507	1.5
67.05511	1.3
69.03427	0.9
69.07064	0.7
79.05483	1.1
81.07047	1.4
83.05001	5.2
91.05474	1.3
93.07034	2.6
95.04950	1.2
95.08597	2.6
105.07023	3.2
107.08589	3.4
108.08090	1.2
109.06486	2.5
109.10114	1.3
109.99918	0.6
111.08136	0.6
119.08557	3.7
120.08187	0.6
121.06467	1.3
121.10115	1.0
123.08044	1.3
131.08557	1.4
133.10121	2.7
135.08034	2.6
135.11723	1.1
137.09599	1.4
145.10080	0.7
147.07959	0.8
148.07596	1.1
149.09557	1.0
149.13266	1.0
157.10146	1.1
159.08046	1.2
159.11664	3.9
161.09596	1.1
162.09151	0.7
166.11832	0.7
169.10176	1.1
173.13155	0.8
177.12849	4.4
179.14247	1.1
183.11728	1.2
187.11157	1.5
195.11717	0.7
197.09586	0.8
197.13258	1.0
205.12302	1.0
207.11819	0.8
207.13765	0.7
211.11168	0.8
213.12819	0.7
224.23199	0.6
244.00223	0.7
267.17566	0.7
294.18518	1.2
312.19623	2.5
313.18008	2.7
330.20807	4.9
331.18997	14.8
372.21716	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	372.2169
Annotation	epi-Bisdehydroneotuberostemonine J
Peak:m/z	Relative Intensity
50.98569	0.7
54.11272	0.8
55.05499	0.9
55.82162	0.8
60.45837	0.7
68.38477	0.8
69.03417	0.8
70.39692	0.8
76.58451	1.0
81.07058	1.5
83.05000	0.9
88.13331	0.8
92.18523	1.7
105.07024	1.2
107.08582	1.0
121.39943	0.8
130.87714	0.9
183.11702	1.0
247.87526	0.8
254.23444	0.9
255.76102	1.0
268.16852	1.5
312.19525	3.5
372.21671	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	373.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00777	1.6
50.01691	2.0
50.37398	1.6
60.41153	1.5
85.02918	15.6
86.09720	9.2
87.48663	2.0
97.44989	1.7
103.03942	3.8
107.04994	2.0
123.04382	4.5
127.67368	2.4
139.03915	23.3
147.04405	2.7
150.91910	1.9
151.03929	18.2
153.01834	13.7
163.03886	4.3
165.01863	18.8
169.09779	18.3
177.01836	34.4
181.04945	2.2
183.02832	3.8
187.10754	14.0
189.05536	2.8
191.03386	10.1
193.04942	28.3
195.02895	74.9
195.88020	2.0
205.04956	56.9
207.02847	2.7
209.59340	2.3
211.05948	2.4
217.04935	33.0
219.02869	68.7
223.05991	28.4
231.02901	28.1
231.06471	3.3
233.04472	4.3
235.05992	100.0
235.08305	3.8
243.02934	3.8
247.05962	3.0
249.03909	12.8
253.07043	30.4
259.06058	11.6
261.03992	25.0
277.07092	29.5
279.04993	14.0
289.07010	21.1
293.08258	2.2
297.06082	3.8
301.06964	9.5
307.08121	8.7
319.08148	25.7
333.90002	2.1
337.09183	30.0
355.10358	21.3
356.04752	2.1
373.11026	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	373.1284
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
50.60857	0.2
53.94759	0.2
59.95705	0.2
63.98965	0.2
66.11632	0.2
79.05485	0.5
81.07063	0.8
85.02866	0.2
85.06556	0.3
89.73583	0.2
91.05458	0.3
93.07030	0.2
94.04184	1.1
95.08586	0.4
99.08077	0.2
105.07051	0.3
107.04951	0.2
109.06520	1.4
109.10146	0.4
119.08593	0.2
121.27493	0.2
122.03660	2.9
129.83463	0.2
131.08565	0.3
133.10165	0.3
135.11800	0.2
137.05977	100.0
145.06461	0.8
147.11635	0.2
153.05461	4.9
156.88730	0.2
157.10196	0.3
159.04405	0.5
159.08035	0.5
165.05475	1.0
171.04268	0.3
173.05971	3.2
175.07576	0.3
176.04736	0.4
183.11496	0.3
187.07533	1.6
189.05545	0.3
191.07002	2.9
193.08455	0.3
195.11772	0.2
200.79037	0.2
203.06996	1.6
211.08658	1.1
211.16925	0.3
217.04929	0.2
221.08107	0.3
235.07561	0.3
249.07492	6.2
263.07047	0.4
277.08588	2.1
295.09720	0.4
309.11185	0.4
327.12320	1.0
333.95691	0.2
355.11755	1.3
373.12756	4.0
373.19247	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	373.1283
Annotation	5,6,7,3',4'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
65.53441	1.4
66.60598	1.5
83.84010	1.6
105.07065	2.7
109.06519	3.7
111.04412	2.1
115.05401	1.6
125.45618	1.8
137.05977	100.0
146.08141	1.7
160.05211	2.1
175.07535	7.9
187.07506	19.4
219.06445	3.5
231.06525	3.4
235.43976	2.3
267.17456	1.9
273.49332	1.7
294.08838	1.8
309.11307	3.0
313.17834	2.0
337.18399	2.0
373.12613	13.2
373.20062	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	373.1495
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.41714	2.6
56.83217	2.6
57.03439	4.6
57.07068	15.1
67.05502	7.4
72.62488	3.0
73.02911	3.4
79.91248	3.1
80.69492	3.5
81.03423	3.6
81.07041	3.8
85.02901	15.2
85.06529	36.8
92.17869	3.5
95.04910	3.2
97.02882	2.7
103.03952	4.5
107.08579	3.5
110.56020	2.8
117.35751	3.3
119.08631	4.2
123.04447	6.1
123.08087	3.4
135.08052	3.7
137.05984	24.4
147.04375	22.2
147.08034	5.4
149.09637	5.4
151.03906	18.1
155.08461	3.4
163.03888	3.7
173.05966	4.5
175.07547	5.3
187.07628	6.1
189.05475	4.2
189.09062	35.9
193.05019	11.7
199.07516	6.1
203.10645	7.3
205.08615	55.3
206.80283	3.9
211.07785	3.2
211.09639	17.3
217.08578	58.4
219.06462	4.0
223.09645	51.3
229.08560	18.7
231.06660	4.1
231.10133	17.2
235.09604	100.0
235.11685	4.8
241.08664	3.9
243.10144	7.4
247.09641	11.5
249.11131	4.6
253.10655	64.7
255.10136	4.2
257.08005	5.3
259.09641	31.0
271.09625	58.1
273.11047	5.2
275.25964	3.6
277.10684	77.9
283.09644	27.3
289.10767	59.2
295.16663	4.7
301.10690	29.4
301.78180	3.6
307.11694	14.5
319.11649	32.5
331.18887	5.4
337.12833	38.2
355.14032	24.7
373.12546	5.9
373.20123	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1492
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.29173	0.2
53.03950	0.2
57.03444	3.7
57.46193	0.2
60.82544	0.2
61.02909	1.2
63.94749	0.2
69.03433	3.5
71.01371	0.4
71.04999	0.3
73.02925	0.3
76.64511	0.2
81.03436	2.4
83.04971	0.3
85.02905	15.4
87.04464	0.4
94.04176	0.5
97.02896	3.7
99.04442	1.5
103.03936	3.2
109.02885	2.3
115.03953	0.4
117.05483	1.2
122.03646	2.9
127.03909	4.1
137.05975	100.0
138.78867	0.2
139.86385	0.3
145.04979	2.5
153.22362	0.2
159.06537	0.4
182.06526	0.3
201.07610	1.2
211.09621	2.6
219.08672	1.4
263.61700	0.3
373.14447	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	373.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66397	0.6
55.97946	0.7
64.74166	0.7
67.28435	0.7
69.03426	1.1
79.17102	0.7
81.71114	0.8
82.60816	0.8
83.90133	0.9
85.02893	3.9
87.04446	1.5
92.18474	1.0
97.02855	1.0
108.08116	51.1
108.08851	1.9
122.06006	5.7
124.07559	1.6
124.94127	0.9
134.05991	4.0
136.07587	9.1
140.07069	7.5
150.58707	0.9
151.08656	30.6
152.07057	78.1
154.08603	1.1
193.09752	10.1
211.10768	43.5
224.48311	0.8
230.00119	0.8
302.12265	1.5
314.12314	8.0
373.16022	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	373.1643
Annotation	fellutanine A
Peak:m/z	Relative Intensity
52.32447	1.2
61.20702	1.4
67.05477	1.8
69.03422	3.5
69.07044	1.5
69.38514	1.4
77.09578	1.6
79.05524	1.7
81.07022	2.0
91.05495	2.0
93.07026	1.7
95.04942	2.0
95.08631	1.5
97.06503	1.8
105.07016	3.3
121.10178	1.8
131.08492	1.6
135.08038	3.3
141.06905	1.5
143.08534	3.5
145.06458	1.7
146.07214	2.9
147.08049	2.4
149.09604	1.8
153.06949	3.0
155.08569	14.1
157.09984	2.1
159.08035	9.9
165.06895	3.7
166.07768	3.6
167.08578	3.9
169.10100	12.3
171.07993	3.7
173.05940	2.9
173.09610	3.7
178.07767	8.3
179.08560	9.4
181.10104	9.1
182.10878	2.9
183.08000	3.2
183.11676	7.9
185.09601	3.0
192.09239	11.2
193.10075	14.7
194.07243	1.8
195.07983	9.5
195.11670	7.2
196.08821	11.0
197.09544	15.8
197.13251	6.6
198.10301	2.1
199.11116	19.0
201.09016	2.2
207.11656	16.2
208.08817	3.2
209.09555	12.7
210.10376	15.4
211.09271	2.2
211.11169	39.1
212.08336	6.6
213.12764	1.8
220.08812	7.2
223.07642	2.0
223.11171	24.6
225.12720	29.6
227.10663	14.3
235.11124	8.1
237.09030	2.0
238.09917	6.6
241.12212	8.6
253.12219	27.3
271.13232	10.3
275.21814	1.5
293.06250	1.8
313.14297	8.5
313.17896	8.4
331.19080	5.9
373.16385	100.0
373.19958	6.2
388.00052	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	373.1643
Annotation	fellutanine A
Peak:m/z	Relative Intensity
53.03952	1.3
69.03424	3.1
81.07050	1.7
85.08467	1.6
86.08465	1.7
91.05475	2.4
99.04417	2.0
105.07019	2.5
106.23328	1.5
107.04943	9.9
107.08590	2.2
119.08469	2.2
121.06474	1.7
131.08601	1.6
133.06369	2.3
133.10002	1.6
137.06061	1.7
141.07018	2.4
142.56813	1.4
143.08528	4.0
145.06410	3.7
147.08035	10.6
153.06984	1.9
155.08569	15.9
156.09300	1.7
157.10095	2.9
159.08041	3.8
165.07016	3.8
166.07709	2.9
167.08508	3.3
168.09358	2.6
169.10062	9.4
171.08005	7.6
171.11703	2.7
173.09607	9.4
178.07759	3.4
179.08493	8.7
180.09386	2.6
181.10158	14.6
182.10864	3.2
183.08031	7.6
183.11617	9.4
184.08841	2.1
185.09541	3.1
192.09338	12.5
193.10001	4.0
195.07988	6.7
195.11681	6.8
196.08789	8.1
197.09596	10.9
197.13184	10.8
199.11186	14.8
207.11726	16.5
208.08710	3.0
209.09604	12.4
210.10420	16.1
211.11177	34.4
212.08185	1.8
219.52525	1.8
220.08742	13.8
223.11168	22.0
224.08235	2.6
225.12735	31.3
227.10550	8.1
235.11142	16.2
238.09908	3.8
241.12169	6.4
249.07660	3.1
253.12181	38.9
271.13156	8.3
285.14600	1.9
313.14236	15.6
339.42929	1.7
373.16315	100.0
373.19873	7.1
373.24023	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	373.1647
Annotation	Armenin B
Peak:m/z	Relative Intensity
59.47268	2.5
69.03423	6.0
73.40098	3.6
79.05474	4.6
80.56277	3.3
93.07092	3.0
99.68979	3.0
105.07056	6.1
114.09234	3.9
117.06983	5.1
119.08555	3.6
121.02849	4.2
129.06900	3.1
131.08609	3.1
143.08569	17.6
145.06451	4.2
148.21951	2.9
151.03908	19.7
153.07010	3.5
155.08595	25.5
158.07275	3.7
159.08075	6.8
165.07004	6.4
166.07811	5.8
167.08566	4.6
169.10089	20.9
171.08047	15.6
173.06041	4.2
173.09665	11.0
178.07809	4.5
179.08601	13.2
180.09406	3.7
181.10173	30.0
182.10883	6.8
183.08031	3.8
183.11740	21.3
184.08778	5.5
185.09668	10.3
186.27684	3.3
192.09334	14.4
193.10219	12.1
195.07959	3.7
195.11717	38.7
196.08839	6.6
197.09627	21.6
197.13310	24.4
198.10361	11.7
199.07388	4.5
199.11189	89.6
207.11684	34.5
209.09630	17.7
210.10394	17.9
211.11168	100.0
212.08401	5.7
213.12828	4.0
220.09026	3.5
223.11139	35.3
225.12701	68.9
227.10660	71.3
235.11104	25.3
238.09938	3.4
241.12268	12.9
249.07570	3.7
253.12219	75.9
271.13260	31.0
305.05783	3.0
313.14438	22.9
313.17587	6.0
331.15274	5.6
373.09183	3.1
373.15491	25.1
373.20261	56.5
374.19247	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19765	2.5
56.39982	2.4
69.03440	3.1
81.00056	2.7
86.82219	3.1
88.12321	2.7
88.29268	2.7
104.31828	2.6
105.07002	3.2
117.07033	3.4
126.47490	2.6
129.06938	4.0
140.44971	2.5
141.06938	3.6
143.08569	11.6
145.06509	12.0
146.07196	3.2
147.08046	3.0
147.87985	2.6
155.08543	25.1
157.06520	3.9
159.08047	11.4
165.06985	12.3
166.07750	14.1
167.08527	12.7
168.09351	5.5
169.10043	20.0
171.07983	14.4
171.11723	3.8
173.09584	10.0
178.07742	4.8
179.08542	17.2
180.09323	6.7
181.10083	29.1
182.10898	12.7
183.08032	6.7
183.11710	35.3
184.08820	12.2
185.09552	3.4
188.35187	2.9
192.09348	18.5
193.10132	5.1
194.07204	3.1
195.08041	4.8
195.11668	52.1
196.08838	13.7
197.09621	27.2
197.13234	38.1
198.10419	16.6
199.07545	2.9
199.11182	83.1
201.12746	2.9
207.11662	29.0
209.09613	18.5
210.10356	18.0
211.11157	100.0
212.08337	6.0
213.12735	12.5
220.08807	4.0
223.11092	34.8
225.12721	77.3
227.10645	66.2
229.12187	3.1
235.11263	23.0
238.09917	5.2
241.12222	16.0
243.13773	4.9
253.12196	89.9
255.80176	3.4
271.13333	35.6
283.13269	6.2
313.10736	3.5
313.14261	27.1
313.17453	3.8
332.19409	18.2
341.70013	2.8
373.16415	17.8
373.20425	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76226	3.3
51.52703	3.4
54.18494	3.6
69.03435	7.5
69.18321	4.0
84.42744	4.4
88.83253	4.0
107.79517	3.7
117.07035	4.9
125.46645	3.9
143.08562	7.6
145.06483	8.3
155.08557	23.7
166.07828	4.7
167.08488	5.9
169.10107	22.0
171.08060	5.1
171.11633	4.4
173.05992	4.4
173.09673	17.9
179.08568	10.0
180.09325	9.6
181.10143	32.2
183.08047	6.4
183.11693	19.0
184.08768	5.7
192.09335	26.6
193.10104	16.9
195.08028	10.2
195.11702	35.7
196.08855	26.0
197.09579	29.1
197.13216	18.5
198.10393	7.7
199.11174	46.1
207.11763	34.4
208.08835	7.0
209.09630	26.1
210.10405	33.5
211.11162	76.3
213.12769	4.6
220.08830	18.3
223.11159	37.3
225.12660	65.3
227.10670	27.6
235.11209	10.6
238.09981	5.0
241.12259	16.4
253.12215	60.2
271.13254	9.8
313.14355	9.7
373.16327	100.0
373.20026	7.9
375.86658	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	373.1642
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
50.27341	1.7
54.18764	1.9
66.06074	1.9
69.03413	4.9
72.72902	1.8
75.09319	2.3
75.60655	1.8
81.53983	1.8
84.26018	1.9
117.07046	2.4
129.07008	3.2
143.08574	10.4
145.06476	9.3
146.07230	3.1
155.08572	10.2
159.08015	3.4
165.07018	8.2
166.07794	11.5
167.08479	3.9
169.10146	10.6
171.08032	13.3
173.09636	3.1
178.07751	3.2
179.08578	10.8
181.10075	17.0
183.08040	9.2
183.11678	10.5
184.08826	8.4
185.09488	2.7
192.09303	9.4
193.10130	4.4
194.07294	4.2
194.53566	2.3
195.07993	3.7
195.11670	18.4
196.08766	10.0
197.05829	2.3
197.09645	26.4
197.13232	4.1
198.10432	15.9
199.07405	2.3
199.11159	71.2
205.10146	2.4
207.11647	15.5
209.09637	13.8
210.10446	11.5
211.11174	100.0
211.13208	3.7
212.08267	8.2
223.11151	23.1
225.12726	52.7
225.14778	3.3
227.10641	67.5
235.11160	8.2
238.09872	4.1
241.12221	9.2
253.12199	43.9
271.13382	17.9
283.93246	2.2
313.14130	14.8
373.16135	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21629	2.0
56.17348	2.7
61.59805	2.1
69.03420	5.1
71.04949	2.7
74.55289	2.3
77.55342	2.2
79.05495	2.3
83.04974	2.6
88.67995	2.5
92.18459	2.5
113.38012	2.4
115.22308	2.2
117.07027	3.9
120.40307	2.3
121.02816	3.5
128.22469	2.2
137.06049	3.1
141.07047	3.0
143.08531	15.5
145.06483	9.1
146.07231	2.9
147.07951	3.1
148.20541	2.9
155.08557	10.3
158.07199	2.9
159.08081	11.9
165.06944	4.4
166.07750	9.4
167.08582	2.8
169.10081	11.8
169.15463	2.3
171.08072	14.5
171.11676	4.2
173.05962	3.9
178.07716	4.5
179.08559	11.5
180.09332	8.8
181.10085	22.4
182.10857	3.6
183.08090	2.7
183.11694	5.8
185.09668	4.6
191.08382	2.9
192.09303	13.2
193.10141	12.6
194.07248	3.2
195.11694	28.6
196.08824	11.9
197.09616	32.5
197.13217	4.6
198.10429	10.5
199.07420	2.9
199.11154	91.5
207.11613	17.3
209.09654	15.1
210.10358	17.8
210.24586	2.3
211.11177	100.0
212.08279	3.0
223.11134	30.4
225.12712	43.4
227.10637	86.1
227.12778	3.5
235.11140	11.9
241.12169	4.7
253.12233	46.3
271.13321	21.3
308.74075	2.6
313.14218	30.2
373.19968	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92204	1.9
57.78949	1.9
66.27309	1.9
67.05490	14.3
69.03440	4.1
69.07043	2.2
81.07057	4.3
91.05470	2.8
107.08591	9.1
109.10154	72.5
113.88300	2.3
117.07011	3.9
127.11182	37.2
129.06969	2.8
133.10124	14.3
143.08565	14.5
145.06471	4.3
151.11139	8.8
155.08553	8.7
158.77330	2.2
159.08092	3.8
165.06995	8.0
166.07748	3.8
167.08560	8.5
169.10136	11.5
169.12155	7.3
171.08043	14.1
171.11658	2.8
171.63789	2.5
173.09564	3.9
178.07771	3.0
179.08600	4.0
181.10094	25.9
183.07974	8.3
184.08907	3.7
185.09674	2.6
187.13301	11.2
192.09390	11.9
193.10153	4.6
194.07278	3.9
195.08070	3.2
195.11673	32.6
196.08844	11.4
197.09579	26.2
197.13287	3.5
198.10393	11.5
199.11180	80.5
207.11713	10.1
209.09639	14.1
210.10342	10.0
211.11177	100.0
212.08382	10.6
223.11143	33.7
224.45650	2.6
225.12715	43.7
227.10645	66.9
235.11115	13.7
241.12239	3.1
253.12231	48.2
269.88077	2.5
271.13202	16.3
295.13254	3.8
313.14441	20.2
373.35040	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	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
50.01594	0.7
50.91386	0.4
51.03221	0.4
74.11873	0.4
127.05050	0.7
131.70898	0.5
152.03111	0.5
157.03456	0.5
193.11996	2.8
203.05220	2.0
211.13043	4.4
230.74132	0.5
373.18314	100.0
397.40836	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93093	0.5
57.16075	0.5
62.54713	0.6
69.03419	0.6
76.98809	0.6
84.08133	5.3
86.09711	1.2
102.26976	0.8
104.30153	0.6
129.10237	3.4
145.08380	0.7
178.82469	0.7
193.11958	5.1
195.13472	1.1
201.03738	3.5
203.05258	16.3
249.15002	0.6
373.18359	100.0
373.28214	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	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
51.00743	0.5
70.59798	0.6
72.08144	0.9
81.04529	2.7
86.55652	0.7
119.53208	0.6
127.05042	9.2
137.05984	0.9
139.03888	1.5
163.03880	1.7
165.05537	1.1
177.05513	2.5
177.69859	0.8
178.05748	1.1
200.33881	0.8
203.05280	1.0
205.08679	3.2
221.09943	0.8
257.58380	0.7
369.41989	0.8
373.14346	5.5
373.18353	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34448	0.6
52.68567	0.6
69.03452	0.8
71.05006	0.7
72.84592	0.6
79.05456	0.9
81.07033	0.9
85.02886	0.7
85.06523	1.4
93.07024	0.9
95.04952	0.9
95.08604	3.6
96.83351	0.8
97.06518	0.6
99.08064	1.1
105.07004	1.4
107.04993	0.7
107.08592	1.3
109.10116	0.8
119.08577	1.2
123.04426	0.9
129.06970	0.8
133.10098	1.3
133.68910	0.6
137.05965	4.6
137.09637	1.4
139.03873	2.8
145.06573	1.1
147.04401	0.9
149.09639	1.0
155.10634	4.4
157.06473	1.3
163.03914	3.0
165.05479	1.0
174.06729	2.7
175.07489	3.2
175.14857	1.7
177.05510	1.2
181.04948	1.3
189.09024	1.4
193.15874	2.7
201.05463	1.0
205.08577	1.4
211.16934	3.7
233.08112	4.1
373.13504	7.2
373.18317	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	373.2007
Annotation	Gelomulide K
Peak:m/z	Relative Intensity
50.14075	2.6
67.05489	4.1
69.03436	3.0
69.07047	5.3
81.07053	6.9
84.07567	3.0
91.05455	3.3
93.07039	13.6
95.04949	6.6
95.08572	12.5
97.06516	4.9
105.07014	20.6
107.08582	13.4
109.06482	5.0
109.10134	6.0
119.08576	18.7
121.06496	6.5
121.10114	6.8
123.08039	13.9
125.09621	3.9
129.06984	3.6
131.08577	11.5
133.06488	5.4
133.10162	4.2
135.08032	5.3
137.09612	13.7
143.08566	15.8
145.10136	17.3
147.08026	5.8
147.11684	4.2
149.09596	7.3
154.42107	3.2
155.08540	14.5
157.10100	5.9
159.08066	12.3
159.11688	6.4
161.09579	12.6
163.11174	3.5
169.10124	17.0
171.08054	13.2
171.11671	7.5
173.09615	5.4
173.13179	4.5
175.11133	7.1
181.10109	5.6
183.11681	17.1
185.09564	6.2
187.11189	5.1
193.10146	7.4
195.11679	6.9
197.09610	15.4
197.13260	7.1
199.11201	14.1
201.12740	6.1
207.11688	12.4
209.09482	4.6
209.13225	6.3
211.11168	24.3
211.14807	3.7
213.12733	3.3
221.13124	4.2
223.11250	4.6
225.09146	3.9
225.12759	17.0
227.10571	4.1
227.14235	4.8
233.83029	3.6
235.11136	6.9
235.14857	3.7
239.10489	4.5
239.14310	4.5
239.17877	3.5
241.15950	3.9
253.12120	19.4
267.17484	17.6
271.13177	5.2
277.15781	11.7
283.16946	4.4
285.18433	6.7
295.16824	29.2
303.19205	3.5
313.17993	77.2
331.19144	12.6
373.16174	7.9
373.20145	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	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27067	3.3
53.41252	3.5
55.05511	7.0
58.37888	3.1
62.22038	3.1
67.05493	4.5
69.07021	4.5
79.05494	46.2
81.07058	7.1
83.04969	27.8
91.05456	5.9
93.07035	6.6
95.04954	14.5
95.08569	14.4
97.02827	7.6
97.06516	5.2
105.07027	24.8
107.04936	35.0
107.08574	20.2
109.06538	5.5
109.10117	6.8
111.04439	39.7
117.06948	5.5
119.08567	18.6
121.10170	15.7
123.04382	4.6
123.08105	8.5
131.08609	5.8
133.10121	9.5
135.04390	7.3
135.08092	5.4
135.11797	4.1
137.09624	7.6
143.08591	7.9
145.10127	6.9
147.07990	7.8
149.09589	18.6
151.11165	6.5
153.05446	15.5
157.10107	6.6
159.11697	15.0
161.09616	8.9
163.11079	6.5
168.11679	3.7
169.10170	4.4
171.11656	15.5
173.09601	4.6
173.13132	3.6
177.12703	8.2
178.99312	3.8
185.13123	4.8
187.11195	5.9
189.12791	8.4
193.10194	4.0
197.09558	5.9
205.12239	24.0
207.11790	3.8
213.12735	4.4
215.14314	4.0
217.12206	4.9
239.18352	4.0
295.16913	5.1
313.17966	65.2
331.18958	64.4
373.21277	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	373.2008
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
57.73833	4.8
67.05477	6.8
69.03431	8.7
79.05497	38.8
81.07032	8.7
83.04971	12.5
89.18733	5.9
90.16089	5.1
91.05491	13.2
92.18499	14.9
93.07021	9.1
95.04950	33.6
95.08595	22.3
105.07027	32.8
107.04959	10.1
107.08577	33.7
107.34784	5.1
109.01884	5.3
109.06499	8.1
109.10140	7.9
111.04448	23.6
117.07032	10.4
119.08617	41.1
121.06496	12.2
121.10136	25.9
123.04414	7.9
123.08098	11.1
131.08533	20.2
133.06453	21.7
133.10115	55.4
135.08061	12.7
137.09561	6.9
141.46597	5.4
143.08548	24.3
145.06468	6.2
145.10063	9.4
147.08025	10.6
149.09608	20.5
151.11191	9.9
156.09358	6.8
157.10048	18.3
159.11678	27.7
161.09608	8.4
163.07619	7.4
163.11176	7.9
169.10143	10.1
171.08080	6.5
171.11658	23.4
173.09621	8.9
177.12801	10.5
187.11194	13.1
189.12700	8.2
193.10202	5.6
199.11270	11.1
201.12633	6.9
207.11699	11.5
211.11108	9.0
225.12660	6.6
267.17474	28.8
281.53882	5.4
293.67325	5.5
295.16885	40.1
313.17972	99.3
331.18973	24.1
373.20090	100.0
385.82300	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	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	3.8
69.03419	7.2
69.07081	6.4
71.04984	3.7
73.44558	2.9
73.89095	3.1
79.05478	12.9
81.03407	4.1
81.07040	12.6
83.04981	12.0
85.02917	22.3
85.06544	24.5
91.05496	3.6
93.07037	12.2
95.04976	12.6
95.08610	15.1
97.02935	3.3
97.06503	5.0
97.88461	3.0
105.07018	7.2
107.08595	7.4
109.06551	4.5
109.10147	3.4
111.08062	4.0
111.83691	2.7
119.08587	7.6
121.06521	4.3
121.10122	3.9
125.07118	4.1
127.07545	6.3
128.08957	3.1
131.08556	4.8
133.06499	13.1
133.10117	20.6
135.08055	7.1
137.05984	4.5
141.06944	3.1
143.08308	7.1
145.10066	3.1
149.09637	3.9
155.08560	17.3
157.10094	13.5
159.08128	3.3
159.11633	4.7
161.09595	12.3
167.08623	4.6
168.09311	4.5
169.10139	19.9
171.11647	3.9
175.07582	5.2
175.11150	3.9
177.05449	3.9
177.09280	3.5
181.10048	11.3
183.08124	3.6
183.11711	57.7
185.09705	3.4
187.11177	5.1
189.12799	6.8
193.10114	16.6
194.10902	4.4
195.11729	7.5
196.08830	5.3
197.13254	5.0
199.11230	6.4
201.12796	5.3
207.11667	15.6
209.09674	3.5
209.13266	11.7
210.10521	6.0
210.14064	3.6
211.11214	56.0
215.10577	4.2
217.12187	5.5
219.11711	6.4
220.12469	6.9
221.13284	4.9
223.14801	5.6
225.12747	19.5
227.10728	6.4
229.12163	12.5
233.13570	4.5
234.14061	12.4
237.12657	5.3
239.10612	5.5
249.16386	18.3
251.14384	5.6
253.12180	6.8
253.15788	6.1
267.17389	57.5
271.13358	4.3
277.15839	13.4
280.14493	3.8
295.16910	53.8
313.17975	58.6
331.19165	22.8
355.22037	4.1
373.20026	100.0
373.24054	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	373.2011
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
55.05519	3.5
67.05505	4.2
69.03432	3.9
69.07085	6.0
79.05505	3.3
81.03456	2.7
81.07073	5.0
83.04993	8.9
83.08624	3.7
83.87303	2.5
89.91693	2.7
91.05495	9.2
93.07052	10.6
95.04984	16.3
95.08633	4.8
104.19096	2.7
105.07032	17.2
107.08633	11.6
109.06541	14.2
109.10159	11.2
111.08129	4.1
117.07026	3.5
119.08617	16.2
121.06513	4.3
121.10139	5.5
123.08078	8.9
127.79144	2.7
128.06255	3.0
129.07030	4.4
131.08586	5.7
133.06494	2.9
133.10176	9.1
135.08078	10.3
137.09659	5.7
143.08582	5.9
145.06502	4.6
145.10143	15.9
147.08057	11.2
147.11700	5.0
149.09683	5.6
151.07591	3.3
155.08574	11.4
156.09331	3.0
157.10091	20.0
159.08089	9.9
159.11734	5.9
161.09644	9.6
161.13298	2.4
163.11122	3.9
167.08667	3.3
169.10120	18.1
171.08051	5.3
171.11719	5.9
172.08841	3.1
173.09645	14.1
173.13206	3.2
175.11214	10.3
177.09258	3.4
179.08607	4.5
181.10165	5.7
183.11699	14.8
185.09654	12.6
185.13301	5.9
187.11162	9.6
193.10194	10.7
194.10876	2.6
195.11778	13.4
196.12433	2.5
197.09718	12.5
197.13301	13.1
199.11186	11.2
201.12650	3.8
207.11763	5.7
208.12556	4.7
209.09679	2.6
209.13246	2.9
210.10477	2.8
211.11214	15.3
211.14946	3.5
213.12854	9.9
215.10802	3.3
215.14259	2.6
223.11240	9.0
223.14914	4.3
225.12778	10.5
225.16350	3.2
227.10706	3.6
227.14363	5.6
234.13998	3.2
235.11166	3.7
237.12579	3.3
239.10628	2.6
239.14357	4.2
241.12338	3.9
249.16507	5.0
253.12253	4.4
267.17505	10.2
269.15524	3.7
271.17020	2.8
273.11139	3.3
277.15775	5.2
285.18295	3.2
295.16840	23.8
313.17947	49.1
331.19128	11.3
355.19211	10.5
373.16241	11.5
373.20157	100.0
373.24747	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	373.2009
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
65.45947	3.0
67.05484	5.2
69.07066	6.0
69.19963	2.3
73.61372	2.7
75.93661	2.4
79.97007	2.7
80.96071	2.6
81.07037	3.2
83.03239	2.6
83.04966	2.9
83.08630	2.7
93.07010	3.5
95.04958	5.0
95.08591	5.4
97.06516	5.0
105.07025	12.6
107.08575	6.8
109.06534	4.2
109.10151	4.6
119.08562	12.9
119.24572	3.2
121.10139	2.7
123.08056	6.3
131.08537	15.6
133.10104	4.8
135.08064	4.2
137.09602	16.5
141.06987	4.1
143.08531	12.9
145.06409	2.9
145.10091	3.9
147.07985	3.1
147.11678	3.0
155.08546	3.8
157.10147	11.9
159.08061	16.1
161.09633	11.6
169.10112	19.0
171.07983	4.3
173.09637	11.1
175.11159	3.8
180.28758	3.2
181.10098	4.8
183.11682	16.9
185.09608	5.9
187.11223	6.3
193.10100	5.2
195.11678	5.1
196.08871	3.3
197.09618	4.3
197.13248	5.3
199.11188	6.5
207.11702	13.1
209.13225	3.9
211.11163	13.2
213.12654	4.2
221.13254	4.6
223.11099	4.0
224.12085	3.6
225.12752	15.6
226.62965	2.8
227.14330	3.7
229.15688	3.2
235.11214	3.4
243.13705	3.1
244.12743	3.2
253.12282	11.3
253.15788	6.0
267.17352	12.5
271.13330	3.1
277.15863	4.3
285.18448	4.0
295.16937	16.7
313.17944	62.3
331.19052	15.5
355.19028	4.5
361.37537	3.1
373.15588	4.3
373.20065	100.0
373.24765	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	373.2008
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
50.75344	2.5
51.07695	2.9
55.05513	3.3
55.63545	3.3
69.03419	5.0
79.05494	5.0
81.07040	5.7
83.04965	6.5
83.08651	3.4
91.05505	5.0
93.07029	7.4
95.04984	4.0
95.08597	4.4
101.74175	3.2
105.07014	15.4
107.08611	7.5
107.56107	2.8
109.06499	3.5
115.53786	3.0
119.08562	16.1
121.06481	5.7
123.08060	4.2
129.06935	3.9
131.08553	6.3
133.06503	18.9
133.10117	15.1
135.08040	8.1
143.08551	4.2
145.10107	6.1
147.11667	4.1
149.09573	6.0
155.08585	7.7
157.10130	16.3
157.82590	3.3
158.17867	4.1
159.07928	5.1
161.09656	5.8
163.03897	6.9
163.11147	4.4
167.08542	3.8
168.09415	5.3
169.10103	20.8
171.07948	4.6
171.11641	5.7
173.09586	12.7
175.11098	5.3
177.09096	6.5
179.08583	6.1
181.08630	3.5
181.10095	6.7
183.11684	61.6
185.13203	3.6
189.09152	4.9
189.12741	5.7
193.10143	20.0
194.10898	5.5
195.11679	13.0
196.08839	4.2
197.09460	5.1
197.13260	7.3
199.11212	4.3
200.92590	3.3
206.11012	3.3
207.11760	12.7
209.13257	14.2
211.11145	50.2
211.14732	3.6
213.12894	4.3
215.10628	4.6
217.12198	4.0
219.11607	4.7
220.12378	7.6
221.13129	5.7
225.12782	14.2
225.16376	5.6
229.12137	7.5
234.14011	16.1
235.14687	6.3
237.12706	7.4
239.18167	5.4
249.16374	14.1
252.15010	4.6
253.12099	5.2
253.15852	14.6
267.14780	5.2
267.17416	80.6
271.13403	5.2
277.15887	15.5
285.18576	6.7
295.16907	59.8
313.17966	97.4
331.18985	16.7
355.72034	3.5
373.20029	100.0
373.24710	4.0
398.47748	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	373.201
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
51.18173	1.8
55.05502	10.0
56.11309	1.8
67.05490	2.8
69.07059	3.9
77.91354	2.0
79.05497	43.2
81.07034	4.8
83.04982	25.3
83.77590	1.9
91.05480	7.3
92.17876	4.3
92.28660	1.9
93.07024	4.7
95.04939	12.9
95.08575	8.3
97.02862	2.9
97.06506	3.2
99.54002	1.9
105.07016	12.5
107.04970	33.2
107.08608	4.5
109.06499	4.2
109.10147	4.2
111.04425	28.2
117.06940	3.0
119.08582	15.3
121.06466	4.1
121.10122	11.3
123.08035	9.3
124.92940	2.2
129.06972	4.9
131.08562	9.0
133.10126	15.6
135.04405	20.9
135.08025	7.7
135.11734	4.5
137.05928	2.8
143.08551	7.9
145.10124	4.6
147.08049	8.2
149.09595	8.6
150.10429	5.0
153.05478	29.9
155.08554	3.9
157.10153	5.8
159.08000	3.2
159.11618	9.3
161.09615	4.4
163.07478	4.5
163.11266	2.7
169.10123	8.3
171.07953	2.9
171.11630	9.2
173.09541	4.2
173.13377	2.0
175.11163	2.9
177.09097	2.2
177.12733	3.4
179.14278	11.6
181.10146	4.5
183.11723	15.0
185.09669	2.7
187.11116	9.0
189.12703	4.8
192.09424	3.2
193.10141	4.4
195.11745	2.3
197.09528	2.4
199.11176	9.2
201.09146	2.8
201.12711	3.9
205.12228	4.6
206.85878	2.3
207.11671	3.0
209.13213	2.7
210.10361	2.0
211.11130	16.2
215.10811	3.2
217.12271	3.1
223.11105	2.3
223.14761	2.5
224.11967	2.2
225.12630	9.5
227.10756	2.7
229.12152	3.4
237.12685	3.1
239.10687	3.1
247.11206	2.3
249.16304	4.2
253.12129	2.7
267.17349	21.8
277.15677	8.8
280.14511	2.3
283.16971	2.8
285.18521	3.1
295.16873	24.1
313.17941	56.3
331.18936	7.7
373.20065	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	373.2008
Annotation	Saucernetin
Peak:m/z	Relative Intensity
51.59251	2.7
55.05509	17.9
67.05508	4.4
69.07048	3.2
73.20026	2.9
74.21169	3.5
79.05500	71.2
81.07083	7.1
83.04978	44.0
83.08665	3.0
91.47733	3.0
93.07037	18.2
95.04949	13.6
95.08604	7.1
105.07016	17.6
107.04960	37.4
107.08577	16.3
109.10122	6.7
111.04435	40.4
119.08567	14.9
119.41965	3.4
121.06483	6.1
121.10141	17.5
123.08076	8.0
131.08609	4.2
133.10123	12.9
135.04448	27.9
135.08057	6.6
135.11716	7.3
137.09598	5.6
141.04735	3.1
143.08566	12.9
145.10114	6.8
147.08061	4.1
149.09637	13.0
149.13307	3.0
153.05484	31.1
157.10063	4.7
159.11722	7.4
163.07529	3.9
163.11205	14.7
171.08063	4.7
171.11739	4.8
173.09537	5.8
176.92339	3.0
177.09146	7.2
177.12762	13.4
179.14313	6.9
183.11702	6.7
187.11119	4.0
195.11778	3.2
197.13290	7.8
199.11189	5.7
205.12285	15.1
207.11763	3.5
215.14217	4.1
241.43832	3.3
257.18878	3.6
271.17288	3.9
285.18530	3.6
295.16937	4.9
313.18008	65.9
331.19138	7.5
373.20090	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	373.2011
Annotation	Saucernetin
Peak:m/z	Relative Intensity
55.01880	1.8
55.27152	1.2
55.93908	1.3
57.97999	1.2
67.05507	2.2
69.03426	2.6
69.07047	7.3
78.86870	1.4
79.05492	2.5
79.63327	1.4
81.07040	3.3
83.04971	1.7
83.08617	2.2
85.46411	1.4
93.07022	6.1
95.04941	3.8
95.08607	2.4
97.06527	8.5
97.48805	1.6
105.07002	3.7
107.08579	6.3
109.06473	6.5
109.10147	6.8
117.07027	2.8
119.08565	9.5
121.06479	6.9
121.10140	2.1
123.08056	5.6
131.08571	3.2
133.06453	1.9
133.10139	8.2
135.08049	2.6
137.09636	9.0
143.08569	3.1
145.06461	2.0
145.10104	6.7
147.08099	3.2
149.09622	3.8
155.08492	2.0
157.10167	2.2
159.08035	1.9
159.11792	2.6
161.09575	3.3
163.11151	3.2
167.08531	1.9
169.10095	6.7
171.08092	2.0
171.11670	3.8
173.09604	10.0
175.07596	2.2
175.11205	3.5
177.09077	2.7
177.68898	1.5
181.10042	2.1
183.11702	2.9
185.09595	3.6
185.13255	2.6
186.10410	2.4
187.11159	8.2
189.12708	2.5
193.10126	3.2
195.11685	1.7
197.09711	3.7
197.13187	3.3
199.11191	2.9
199.14832	2.6
201.09067	3.1
201.12733	8.4
203.10530	2.1
207.11641	3.0
209.13509	1.8
210.10301	2.2
210.14037	1.7
211.11208	6.8
211.14789	2.1
213.12779	3.2
215.10687	10.0
215.14336	2.0
217.12175	2.2
221.13235	2.4
223.11214	3.6
225.12811	11.4
225.16472	1.9
227.14275	2.6
229.12077	2.0
233.11723	15.3
237.12645	1.8
241.15962	2.3
243.13838	1.9
249.16391	2.6
251.14311	1.9
253.12309	2.1
253.15941	2.3
267.17517	7.3
271.17053	1.9
275.12820	3.8
277.15787	2.8
283.17010	2.1
285.18469	7.9
295.16931	9.2
313.18051	29.5
331.19086	6.3
347.89868	1.7
373.20071	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	373.2009
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
50.40364	1.0
67.05492	3.2
69.03428	1.8
69.07040	6.3
71.04986	1.7
79.05463	2.5
81.07072	3.4
83.04952	1.9
83.08595	2.7
88.05721	1.2
91.05449	2.1
93.07013	6.5
95.04951	8.6
95.08586	5.7
97.06520	7.5
99.04002	1.3
105.06132	1.3
105.07011	9.1
107.04926	2.7
107.08640	4.7
109.06480	5.2
109.10161	2.3
110.81528	1.3
119.08562	5.9
121.06484	6.0
121.10136	2.8
123.08045	6.5
125.09592	1.5
131.08524	8.4
133.06450	5.5
133.10095	5.2
135.08028	8.6
135.11661	1.6
137.09599	9.2
141.06935	1.6
143.08548	7.5
145.06487	3.2
145.10098	7.0
147.08055	7.9
147.11676	1.8
149.09607	5.4
155.08502	6.1
157.10098	2.7
159.08078	6.8
159.11623	2.2
161.09602	8.5
163.07440	1.5
163.11128	3.2
167.08501	1.5
169.10098	6.4
171.07956	2.7
171.11684	6.5
173.09624	10.8
175.11212	5.2
177.09085	2.1
179.10629	1.7
181.10091	5.1
183.11693	8.3
185.09608	8.0
187.07571	1.4
187.11160	7.4
189.12691	2.8
193.10092	2.0
195.11679	5.7
197.09630	7.9
197.13277	7.6
199.11134	5.6
201.09111	2.8
201.12770	6.3
203.10588	2.8
207.11699	6.7
209.13234	2.4
210.10484	2.9
211.11163	8.3
211.14777	2.5
213.12570	4.8
215.10641	5.4
215.14288	2.0
217.12268	5.3
220.12334	1.5
221.13074	1.7
223.11172	2.8
224.11932	2.3
225.12766	13.6
225.16252	2.7
227.14262	1.8
233.11714	7.8
235.11131	2.7
235.14943	2.6
237.12827	1.6
239.14253	2.3
241.12158	1.3
241.15863	1.8
243.13837	3.2
249.16348	1.7
251.14330	1.8
253.12184	6.0
253.16022	2.8
265.15933	2.0
267.17352	9.4
271.13333	2.2
271.17059	1.4
275.12875	2.4
277.15775	2.4
283.16858	3.1
285.18634	3.2
295.16901	12.2
313.14548	2.9
313.17953	39.4
331.19031	9.1
373.20071	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	373.201
Annotation	(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
Peak:m/z	Relative Intensity
55.05514	3.1
58.24504	1.3
67.05495	1.7
67.13614	1.7
69.03446	1.8
69.07064	3.8
71.88402	1.6
79.05466	6.9
81.03394	1.5
83.04968	6.7
91.04742	1.6
91.05455	6.0
93.07027	6.7
105.07032	10.9
107.04953	2.0
107.08582	10.0
109.06536	2.9
109.10123	2.6
111.08069	2.9
115.14911	1.6
117.06966	1.8
119.08579	9.7
121.06483	2.8
121.10104	2.3
123.08074	3.3
125.09573	2.2
131.08565	3.7
133.06493	7.9
133.10141	7.4
135.08092	5.8
141.06944	1.7
143.08560	8.5
145.10124	3.2
147.08031	7.4
149.09570	2.5
155.08557	12.8
157.10115	11.7
159.08064	6.7
159.11647	3.4
161.09607	3.5
163.11223	2.3
165.07019	2.8
167.08572	6.6
168.09315	2.6
169.10107	14.6
171.08023	2.0
171.11726	3.8
173.09625	7.2
175.11159	3.2
177.09177	2.4
178.07800	2.1
179.08551	6.4
180.09349	2.8
181.10133	7.8
183.08139	6.2
183.11662	41.1
185.09647	3.6
185.13310	2.4
187.11237	2.7
189.12776	6.2
192.09407	3.6
193.10136	15.2
195.11693	9.8
196.08844	2.1
197.09637	6.6
197.13268	8.8
201.09203	2.0
201.12753	1.8
206.10995	2.2
207.11700	14.5
208.12434	3.3
209.09550	2.2
209.13306	8.1
211.11189	39.2
211.14694	1.7
213.12648	2.2
215.10829	2.5
217.12222	2.8
219.11662	6.2
220.12448	7.7
221.13216	3.3
223.11215	1.8
223.14841	2.9
224.11992	3.1
224.15550	2.8
225.12724	11.5
225.16364	2.4
227.14270	2.7
229.12199	2.5
233.13345	1.5
234.14032	9.5
235.11180	3.7
235.14766	6.1
237.12839	6.7
239.10669	3.8
239.14264	2.0
239.18030	2.3
243.13916	2.5
244.12181	2.2
249.16335	14.6
251.14352	2.8
252.15210	5.7
253.12222	6.0
253.15929	9.8
255.13808	3.1
257.11758	2.5
265.15961	2.1
267.17395	50.0
269.15363	2.3
271.13300	1.6
271.16833	3.1
277.15909	9.5
280.14667	2.6
285.18466	6.4
295.16919	42.9
313.14337	2.8
313.17908	61.5
327.08389	2.7
331.18976	6.1
373.20111	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	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
59.04979	3.2
60.80619	2.1
60.82866	2.1
67.05494	5.3
69.07069	11.3
71.05012	3.3
81.07051	5.8
83.04970	5.7
85.02902	8.8
93.07053	4.8
95.08608	20.4
97.10136	2.8
102.10065	2.3
105.07020	5.2
107.04990	2.1
107.08585	16.7
109.06502	4.5
109.10152	96.4
111.08092	4.0
119.08572	41.0
121.10115	11.7
123.08064	11.4
123.11713	5.6
133.10132	28.6
135.08083	3.8
135.11685	100.0
137.09644	16.6
147.00711	2.6
149.13242	4.5
151.11166	3.9
151.14799	14.1
175.14801	39.5
193.15880	64.1
211.16913	92.1
212.07390	2.6
252.14809	2.5
313.17917	10.3
373.20026	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02739	0.9
55.05501	2.6
64.04405	0.9
67.05515	3.8
69.07063	1.5
71.05006	2.2
79.05475	1.5
81.07047	13.5
83.04988	2.6
83.08621	1.6
85.02890	5.6
85.06535	19.1
86.09668	1.7
93.07044	10.9
95.04951	2.2
95.08611	29.2
97.06517	1.2
99.04443	5.6
99.08080	2.3
105.07024	12.0
107.08598	17.2
109.06495	1.4
109.10152	17.6
119.08573	29.9
121.10142	5.5
125.09602	6.6
133.10126	17.6
135.11700	20.6
137.05914	1.3
137.09625	13.5
142.43925	1.0
147.11671	1.8
149.13181	2.3
151.11137	1.4
155.10664	100.0
175.14809	37.3
177.71216	1.0
193.15886	34.3
211.16927	91.2
277.72913	1.1
311.47601	1.1
330.99548	1.2
335.37970	1.1
373.13763	2.5
373.18222	23.4
390.61636	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	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.03003	1.3
55.05504	6.1
55.30819	1.2
67.05505	3.1
67.97478	1.2
69.03436	3.6
79.05492	1.6
81.03406	2.8
81.07069	15.1
82.03755	2.7
83.04968	1.8
85.02908	10.7
85.06548	24.2
85.33989	1.4
86.09715	2.8
90.00977	1.6
91.05428	2.2
92.18523	2.8
93.07045	13.1
95.04955	2.0
95.08602	34.7
97.06508	3.1
99.04445	6.5
99.08094	5.8
105.07042	11.7
106.02911	15.6
107.03232	6.2
107.08592	18.9
109.02866	2.4
109.10143	15.8
113.09581	1.4
116.81913	1.4
118.32608	1.6
119.08569	29.9
121.10094	3.3
123.11668	2.4
124.03947	24.7
125.04308	13.7
125.09595	7.9
127.03872	2.2
133.10106	20.4
135.11681	23.4
137.06004	1.6
137.09576	14.5
147.11679	6.1
149.13240	3.5
151.11133	1.7
155.10658	100.0
157.29808	1.4
163.14821	1.8
175.14801	40.0
178.05627	1.5
178.99065	1.4
193.15871	37.4
211.16920	93.4
240.54221	1.6
251.07277	2.5
268.08121	5.9
269.08502	16.1
334.40292	1.6
345.27271	1.7
373.18494	16.3
373.22067	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	373.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28213	0.8
55.05508	0.9
57.03442	1.0
60.32049	0.8
67.05504	19.9
69.07046	5.2
71.04971	3.8
79.05482	4.8
80.72809	0.8
81.07053	15.5
83.04992	1.7
83.08609	2.1
85.06538	1.4
87.79980	0.8
91.05461	6.2
93.07030	4.6
95.04952	1.5
99.04459	1.1
105.03396	9.7
105.04468	0.9
105.07041	10.1
107.08600	18.8
109.06549	1.0
109.10154	100.0
113.05979	4.2
123.11689	6.0
124.39491	1.0
127.07567	0.9
127.10313	1.8
127.11187	30.1
133.10123	27.6
145.06403	0.9
151.11182	17.7
151.94725	1.0
169.12227	14.2
187.13290	11.7
192.09335	1.4
202.38133	0.9
205.14268	1.4
207.11659	1.5
211.11319	1.2
220.08847	8.6
225.12694	1.6
235.11137	9.1
238.09810	1.1
240.10263	1.0
253.12306	5.9
256.39261	0.9
313.14322	1.3
313.17798	1.0
330.08292	1.0
332.46964	0.8
373.16385	15.8
373.20273	4.4
373.25940	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	374.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91142	0.5
58.06588	3.4
72.08128	0.7
74.09714	31.5
79.07645	0.6
98.97568	10.7
100.07589	0.8
104.10738	1.0
116.98593	3.0
172.06490	0.8
174.04375	1.5
185.30455	0.6
192.05412	1.1
197.75185	0.6
198.97617	2.2
209.03368	0.9
216.05418	100.0
216.98708	3.0
231.00375	0.6
234.06465	25.5
239.04214	1.2
240.04407	0.9
243.00426	0.9
252.04921	0.7
255.00462	0.7
256.96432	2.9
262.53632	0.7
273.01300	9.3
274.97336	5.3
282.03223	0.8
282.56601	0.7
291.02353	4.1
292.98407	1.0
314.08319	0.9
333.03522	1.1
338.11050	0.9
351.82751	0.6
374.04337	43.6
374.10165	4.1
392.05222	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77512	1.1
53.03949	1.3
54.09311	1.0
61.02932	1.2
69.03433	9.9
69.07042	1.6
70.06587	2.9
78.03454	1.5
81.03054	1.2
81.03426	18.1
85.02914	13.3
97.02885	6.1
99.04431	2.7
106.02917	69.5
109.02870	14.1
124.03948	100.0
127.03918	8.4
144.04752	10.2
145.02844	5.2
147.04422	3.0
159.04416	3.1
169.60858	1.3
177.05472	37.4
191.07002	2.1
194.02808	2.9
194.08127	2.7
195.06548	11.2
212.12735	1.6
222.07562	5.4
232.06157	2.9
250.07063	15.2
268.08145	56.7
304.03891	1.4
374.14557	26.2
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
53.53047	0.6
61.02926	1.0
61.92400	0.5
69.03424	2.5
72.59988	0.5
73.02896	0.5
81.03395	0.6
85.02905	12.7
97.02876	4.8
117.03366	1.4
125.50406	0.6
127.03915	1.4
145.02840	28.5
145.04903	2.2
149.05959	0.9
163.03912	1.2
169.13773	0.6
177.05455	100.0
180.08665	2.4
195.06512	44.4
374.14575	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36580	0.6
60.04535	12.1
65.96884	0.6
67.44129	0.6
70.06573	5.0
87.60360	0.6
93.07034	0.9
100.94115	0.7
105.07056	0.7
109.81347	0.7
116.32127	0.6
117.07006	1.6
117.81801	0.7
119.04952	1.2
123.04420	16.6
124.07564	1.4
129.13028	0.7
135.11687	0.7
136.07539	4.5
145.06468	1.0
147.04398	9.9
153.05406	0.7
155.10655	3.3
156.10979	0.9
161.05928	1.6
163.07549	7.2
165.05418	5.1
173.05977	9.7
175.07587	1.1
176.15158	1.1
177.05446	1.2
177.08945	0.8
187.07550	0.8
190.06944	1.4
190.08618	36.1
193.08519	3.5
202.08623	0.9
204.10164	5.0
205.08588	70.0
212.12708	0.9
212.17235	1.5
217.08492	3.3
222.11235	100.0
234.11278	0.7
313.10684	0.9
333.07474	0.7
339.12027	1.0
356.14786	1.4
357.13580	0.9
374.15903	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.36457	0.7
60.04530	12.2
70.06577	4.5
92.17868	1.1
100.77909	0.8
106.86015	0.8
119.04924	1.0
123.04417	20.2
136.07578	4.3
137.05942	1.0
147.04401	10.7
159.08032	1.0
161.05902	2.9
162.65672	0.7
163.03967	0.9
163.07536	6.9
165.05460	7.1
173.06042	7.5
175.07523	1.1
177.09103	1.3
189.09073	0.7
190.08623	33.1
193.08609	3.9
204.10187	6.3
205.08598	69.4
217.08617	1.7
222.11243	100.0
235.09584	1.0
254.20464	0.7
339.12210	3.7
356.15033	2.9
357.13327	1.6
374.15961	66.7
374.76132	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98777	1.2
73.04366	1.6
84.08103	2.7
91.05453	1.5
109.06409	1.4
123.04417	60.2
128.05182	1.5
147.04367	2.9
147.92538	1.4
150.09143	75.5
151.03850	1.9
152.76196	1.6
155.45140	1.4
163.03925	13.0
165.05421	1.5
175.07541	28.1
177.05397	3.3
177.09067	16.1
187.07440	2.7
193.08405	1.4
199.07402	6.6
202.08533	3.0
204.10217	34.7
205.08446	8.3
212.03645	2.7
217.08467	6.1
222.11234	86.3
234.11122	8.7
234.76474	1.5
285.07391	9.1
321.11053	2.6
356.14743	10.6
357.13113	3.5
374.15613	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	374.1597
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
58.82281	0.8
60.04533	9.5
60.26764	0.9
62.89226	0.8
70.06570	4.0
82.50362	1.0
89.04440	0.9
106.91561	1.1
123.04423	22.1
131.08479	1.0
136.07561	1.6
137.05969	3.9
145.06448	1.0
147.04367	8.0
150.09160	9.0
163.03860	1.7
163.07478	6.9
165.05473	6.7
173.05988	7.8
175.07628	4.5
177.09073	6.3
179.07010	6.7
180.07800	1.3
181.08615	3.6
187.07565	1.2
188.71733	1.0
190.08635	28.3
191.07071	1.9
194.09315	3.8
195.10165	2.0
196.10822	1.8
202.08595	1.2
204.10210	9.3
205.06729	2.2
205.08595	58.9
205.10518	2.0
217.08559	1.9
222.11234	100.0
339.12402	2.3
356.14938	5.6
374.15936	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	8.8
67.22729	0.8
70.06589	4.7
84.08121	1.0
84.24651	0.7
84.30490	0.7
95.07190	0.9
104.52504	0.7
119.04958	1.0
123.04417	31.6
135.04453	1.0
136.07596	1.7
137.05984	8.3
147.04413	10.6
150.09143	27.5
151.03911	1.3
159.07977	1.1
161.05991	3.0
163.03888	4.6
163.07489	5.4
165.05492	6.1
173.05954	7.9
175.07549	10.1
177.05424	5.3
177.09117	5.9
179.06989	3.2
186.09067	1.0
187.07539	1.7
190.08629	24.3
191.07033	14.5
191.59938	0.8
193.08574	4.5
199.07603	1.9
201.09129	1.0
202.08583	1.9
204.10194	19.0
205.04938	3.9
205.08592	47.3
208.09688	20.9
217.08591	3.2
222.07658	3.5
222.11238	100.0
234.11203	4.7
285.07495	2.7
285.16187	0.7
299.09070	0.8
339.12347	5.3
356.14923	7.3
357.13156	1.3
374.15958	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61396	1.2
56.96555	3.0
58.54777	1.3
59.54128	1.4
67.35202	1.2
101.91202	1.5
110.97549	1.8
125.52670	1.5
140.98509	2.0
149.70242	1.4
167.00000	2.0
174.98982	3.1
185.01076	3.2
188.01396	1.7
189.00507	6.8
189.02209	1.6
207.07037	1.8
263.09488	6.6
281.36505	1.8
315.16260	66.4
331.15988	2.0
332.13919	2.3
333.13589	23.9
333.17340	100.0
344.88000	1.5
351.18408	34.6
356.18921	3.3
374.19907	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	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	3.2
57.61287	0.5
70.06593	8.3
71.08635	1.9
72.08137	0.6
74.72429	0.6
76.14421	0.5
79.24992	0.5
84.78632	0.6
87.77986	0.6
88.07624	19.7
102.09190	12.5
123.98270	0.6
132.10167	1.0
201.03674	0.6
203.05186	0.7
215.05171	0.9
281.09839	4.0
283.11377	4.5
285.12851	1.1
296.64450	0.6
312.32565	63.3
327.41092	0.6
329.11966	3.4
331.13708	4.2
333.15073	22.1
333.20261	5.9
351.16089	6.6
356.35126	5.4
374.36252	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	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.1
58.06582	0.6
58.96829	0.5
58.97138	0.4
60.35871	0.5
63.38901	0.4
63.96048	0.4
65.80744	0.5
70.06590	8.9
71.08608	2.5
85.10176	1.2
85.85141	0.4
88.07628	21.8
98.93652	0.5
102.09184	14.2
132.10158	0.5
136.15646	0.5
146.11818	0.6
150.11244	0.6
179.15144	0.5
267.00897	0.6
312.32578	68.4
331.13608	0.8
333.15115	5.4
351.16003	1.9
356.35260	4.4
374.36264	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	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19368	0.8
55.48293	0.8
57.07074	2.1
57.93274	0.7
70.06601	7.8
71.08614	2.0
72.08160	0.9
75.09782	0.8
78.46643	0.9
85.10159	1.0
88.07147	1.3
88.07635	23.5
102.09196	16.1
109.07584	0.8
132.10191	1.4
146.11758	1.1
198.96077	1.0
214.05119	0.9
264.87900	0.9
312.32581	72.4
356.35345	4.0
374.36264	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	375.1076
Annotation	5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
50.98882	1.2
51.29630	1.2
53.03966	1.6
53.21541	1.1
54.40529	1.1
61.02907	1.7
68.61566	1.6
69.74320	1.4
72.35454	1.6
74.97739	1.3
81.03423	1.5
85.02895	7.2
86.95088	1.6
93.07076	2.0
95.04980	3.3
95.91349	1.4
103.03915	3.1
105.03391	100.0
109.02866	3.6
121.02871	3.0
123.04420	3.2
147.04449	1.9
151.03920	7.8
163.03859	2.5
165.01820	35.1
172.34091	1.4
177.01836	38.6
183.02898	10.7
189.01805	9.6
189.05521	1.7
190.99756	2.2
191.03383	40.4
195.02925	2.1
203.03508	3.2
207.02861	2.8
209.04404	2.5
215.03452	2.5
217.01318	2.3
219.02879	37.9
227.07115	1.8
231.02905	41.0
233.04314	2.1
243.02824	9.7
243.06520	35.3
249.03882	10.9
255.06479	33.5
261.03915	8.1
262.29758	1.4
267.06522	10.5
269.08020	21.9
293.08069	1.8
295.05972	1.7
297.07559	67.1
309.07565	54.2
321.07697	19.9
327.08652	2.2
339.08633	22.9
357.09607	25.8
357.13510	2.2
375.10785	15.1
375.21542	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
56.88982	0.5
60.39824	0.5
63.37436	0.6
69.03414	0.6
79.05446	0.8
95.05010	0.6
96.75813	0.6
103.05474	6.7
105.07070	0.7
107.04940	2.8
107.08582	0.9
107.79973	0.6
113.68786	0.6
121.06519	0.9
121.10182	1.0
131.04921	41.8
137.05975	31.2
138.03113	0.8
145.06471	1.1
147.04404	0.9
149.05981	0.9
151.03917	4.5
151.07552	0.9
153.05458	100.0
163.03813	1.1
163.07526	14.7
165.05481	2.7
167.07085	0.7
173.05966	0.9
175.07536	3.7
181.04976	0.7
187.07506	3.9
189.09081	0.8
191.07007	0.9
193.04938	3.9
193.08574	0.9
195.06549	3.9
203.07027	0.7
205.08566	1.1
207.06516	1.2
221.08069	1.1
223.09543	2.5
233.07915	1.3
246.87849	0.6
247.07524	1.4
248.08202	0.8
261.08990	4.4
275.07147	0.8
278.09296	1.0
279.10153	3.2
289.08548	2.7
293.11765	0.8
297.11172	0.7
307.09723	3.9
321.11215	1.5
325.10675	0.9
339.12201	6.1
357.13312	41.4
375.14307	17.5
375.21405	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	375.1438
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
50.85785	0.5
51.25816	0.5
51.84014	0.5
53.85602	0.6
60.65997	0.6
69.03406	0.6
69.07059	1.1
71.17766	0.6
76.62968	0.6
79.05466	0.9
81.07057	0.6
85.02899	4.1
85.06526	0.9
94.89502	0.6
95.08590	1.0
97.02885	1.0
98.25694	0.6
99.08087	1.2
100.42482	0.5
101.90846	0.7
102.15714	0.6
103.05450	7.2
107.04924	1.4
107.08595	1.5
109.06490	1.0
115.23474	0.7
119.04913	0.9
119.54287	0.7
121.06503	0.7
121.10121	1.3
123.04435	1.4
125.00278	0.6
127.03842	0.7
129.06984	0.7
131.04922	44.3
135.08087	0.9
137.05980	31.1
138.03146	1.3
145.06485	1.3
147.04433	2.4
151.03897	3.7
151.07510	0.8
153.05463	100.0
157.06570	0.9
161.05965	1.4
163.07536	15.9
165.05534	2.7
167.07063	1.1
173.06010	1.2
175.07535	4.5
177.09152	1.2
177.16396	4.2
179.06995	3.5
181.04901	1.6
187.07579	1.3
191.06987	0.8
193.04973	5.6
194.05714	0.6
195.06543	4.2
195.17439	1.0
205.08575	3.0
207.06497	1.5
213.18472	3.5
219.08096	0.7
221.07973	0.9
223.09674	3.6
233.08066	3.1
236.76776	0.6
247.07524	1.3
261.09113	5.4
278.09891	0.7
279.10147	2.7
289.08643	2.7
290.09470	0.8
293.11679	1.0
306.08807	0.7
307.09662	2.6
321.11209	2.6
325.10654	1.0
339.12268	8.1
356.08936	0.8
357.13318	38.2
375.14371	17.4
375.23151	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	375.1436
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
54.02541	0.7
67.05500	1.1
69.03429	1.0
69.07094	0.7
69.87090	0.6
79.05492	1.5
81.03402	1.4
81.07040	2.6
85.06532	0.6
91.05478	0.9
93.07037	1.6
95.04971	0.9
95.08594	3.3
99.83479	0.6
103.05450	5.1
105.07006	1.3
107.04956	1.4
107.08582	1.6
109.06490	1.0
109.10158	1.0
111.08114	0.6
117.06992	1.0
117.79546	0.7
119.08545	2.9
121.06494	1.3
121.10142	1.5
123.04405	3.5
123.08063	0.8
129.07013	2.3
131.04918	39.2
131.08556	1.2
133.06485	0.9
133.10117	1.3
135.08000	1.3
137.05971	33.9
138.03189	1.0
142.16669	0.7
143.04924	0.8
145.06458	1.2
145.10100	0.8
147.04390	3.2
149.06062	0.8
151.03900	20.9
151.05032	1.3
151.07574	0.8
153.05452	100.0
155.08565	0.8
157.06480	3.4
157.10123	1.3
157.53395	0.7
159.08006	2.9
161.09621	1.3
163.03889	1.3
163.07530	15.5
165.05438	3.1
167.07005	0.9
167.08496	1.1
168.09370	0.7
173.05977	1.2
175.07568	5.0
177.05530	0.8
177.09169	0.8
179.07024	2.5
181.04958	1.4
181.10110	1.1
185.13191	1.1
187.07538	1.4
189.09085	1.3
190.06348	0.8
191.07076	1.2
193.05011	3.6
193.08540	1.6
194.10841	1.4
195.06531	3.7
195.11751	2.4
203.07014	3.6
205.08578	4.3
207.06523	1.1
209.13188	2.4
221.08073	3.0
222.10297	0.9
223.09666	1.6
227.14172	2.4
231.97343	0.6
233.08000	2.3
237.12691	3.5
247.07520	1.4
255.13904	1.2
261.09094	5.7
275.06992	0.9
279.10077	1.2
289.08615	2.8
297.18539	1.0
307.09613	4.0
315.16119	1.1
315.19427	1.5
321.11185	1.1
327.12369	0.7
339.12106	6.7
339.25372	1.1
357.13278	36.5
357.20096	1.2
375.14279	14.2
375.21729	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	375.1438
Annotation	Plaunol D
Peak:m/z	Relative Intensity
52.90564	1.4
53.37300	1.5
60.00217	1.5
68.45776	1.7
80.42745	1.7
85.02882	1.7
92.18462	2.6
118.57024	1.5
137.05937	3.2
139.05461	2.4
151.03879	2.9
159.07939	1.6
195.04390	27.5
199.07448	11.2
212.04655	2.0
219.08064	3.3
227.07016	92.1
237.12766	2.8
247.07457	17.8
251.10764	1.7
257.08014	2.3
259.09625	87.7
264.07727	2.4
271.09653	2.2
275.06973	2.4
279.10144	13.7
281.08105	1.7
285.07523	2.0
289.08646	1.7
292.07184	2.0
296.10294	1.8
307.09592	7.4
311.09091	8.2
311.12503	3.1
313.10385	3.1
325.10547	2.3
339.12222	7.2
357.13315	100.0
375.14423	15.5
375.21481	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
63.34247	0.8
80.21526	0.9
81.03421	1.4
91.05499	1.0
95.04943	6.9
105.03394	100.0
105.04503	3.1
105.07011	4.2
105.17935	1.0
119.08543	1.7
129.06987	1.0
133.06467	1.5
139.74849	0.9
141.07088	1.5
142.07819	1.8
143.08546	1.8
147.07933	1.0
153.07007	3.4
155.08559	14.3
156.09325	1.3
157.06548	1.2
157.10120	1.2
165.06996	8.3
166.07785	3.4
167.08571	5.4
168.09329	3.6
169.10094	8.2
179.08536	4.3
180.09349	6.8
181.10048	6.6
182.10896	10.5
183.08041	3.3
183.11717	9.6
185.09714	1.7
191.08556	1.4
192.09320	7.9
193.10081	1.7
195.08087	5.5
195.11685	11.5
196.08748	1.1
197.09602	1.9
197.13217	14.2
207.11650	11.2
208.08827	1.4
209.09587	1.5
210.10403	4.0
211.11211	3.7
220.08827	1.5
223.11186	3.1
225.12747	13.5
229.36186	0.9
235.11201	1.8
253.12199	19.4
301.58624	0.9
311.06497	1.1
323.78879	0.9
357.14352	0.9
367.52277	0.9
375.15909	10.3
375.20844	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	375.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
57.38674	0.5
63.01283	0.6
65.67068	0.6
69.03446	0.7
70.94333	0.6
75.25256	0.6
77.03913	1.3
80.79089	0.5
81.25541	0.6
95.04971	7.9
97.04161	0.7
105.03389	100.0
105.04513	4.1
109.79156	0.5
119.08602	0.7
143.08592	1.0
155.08536	1.4
169.10069	1.0
171.08009	0.8
172.63779	0.7
179.08516	1.3
180.09331	0.9
181.10114	2.9
184.08786	0.8
192.09392	0.9
193.10114	0.9
195.11696	2.5
196.08849	0.9
197.09729	0.7
199.11137	8.0
207.11678	1.2
209.09550	1.1
210.10446	1.1
211.11171	5.2
220.08896	1.0
223.11174	3.2
225.12695	6.0
227.10634	7.6
235.11108	2.4
237.12813	1.0
238.10048	0.8
253.12178	9.3
287.12665	2.1
331.18970	1.4
375.15930	4.2
375.21140	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	375.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07622	1.0
55.05493	1.3
65.30083	1.2
69.03419	2.1
79.05499	1.8
81.03400	1.7
87.87683	1.2
91.05486	1.4
91.15199	1.1
93.07053	2.4
95.04961	1.9
95.08620	1.5
105.03393	29.4
105.07016	2.3
117.07083	1.6
117.40454	1.4
119.08550	2.1
121.06487	4.9
129.06975	1.4
133.06485	1.9
137.05984	16.7
141.06989	2.8
143.08551	2.3
145.06451	1.7
145.10136	3.0
147.07944	1.7
155.08551	30.5
156.09335	1.3
157.10126	5.0
158.07248	5.2
159.08041	1.8
165.07042	1.8
166.07704	4.5
167.08574	5.1
168.09253	2.2
169.06488	1.4
169.10158	9.0
173.09587	20.9
179.08569	4.9
181.10088	12.6
182.10948	8.7
182.12410	1.7
183.08044	27.3
183.11659	13.1
185.09656	5.5
192.09242	11.3
193.10121	12.8
194.10951	2.3
195.08018	16.8
195.11610	2.5
196.08873	8.5
197.09610	18.1
197.13235	12.0
207.08018	1.6
207.11688	17.1
209.09569	14.2
210.10388	29.0
211.11140	13.6
220.08792	5.8
223.11203	1.7
225.12738	33.8
227.14191	1.3
235.11220	8.4
238.09895	12.1
253.12206	100.0
255.13745	1.6
280.26065	1.3
375.15961	43.7
375.21530	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1648
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
56.66401	1.0
59.96641	0.9
62.03870	0.9
65.20901	1.0
65.64893	1.0
70.56865	1.0
80.78181	1.3
81.03442	1.8
85.02917	7.9
89.20783	1.0
90.11366	1.0
90.77942	1.1
97.02880	2.1
99.04485	1.0
107.08595	13.4
117.07001	7.2
119.08528	4.6
121.10119	10.3
123.04423	5.3
131.08565	2.2
135.08034	9.8
145.04897	1.1
147.08069	7.0
149.09599	12.8
153.09036	1.9
159.08095	1.3
165.09108	12.1
176.35246	1.4
177.05502	1.9
177.09081	48.5
184.09862	1.4
195.10129	8.0
213.11200	100.0
213.49637	1.3
315.08490	1.2
375.11633	1.3
375.16037	8.0
375.20303	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	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76745	1.2
52.99027	1.3
55.05521	2.3
60.92308	1.4
63.81949	1.2
67.05496	2.2
69.03416	7.0
79.05496	2.9
81.07051	9.5
83.04998	2.1
91.05459	2.4
105.07037	8.7
109.06489	6.7
117.07003	7.5
127.07552	2.9
129.06993	3.3
131.08549	3.0
133.06485	7.9
137.05989	7.4
141.06999	2.4
143.08594	5.3
145.06487	8.6
145.10089	1.9
147.08121	2.8
149.64574	1.7
153.06978	1.9
155.08569	13.9
157.06583	2.1
157.10144	2.1
159.08044	27.4
165.07011	3.8
166.07790	1.5
167.08542	20.3
168.09302	2.4
169.10065	13.3
171.08061	7.4
172.08885	2.6
173.06020	6.0
173.09602	13.4
175.07585	2.8
178.07787	1.6
179.08536	12.9
180.09341	3.6
181.10109	24.4
182.10922	7.3
183.08122	2.9
183.11681	3.3
185.09616	9.6
192.09396	2.9
193.10126	9.7
194.10895	14.3
195.08064	8.2
195.11693	16.3
196.08839	12.0
197.09625	9.7
197.13303	15.6
198.10394	2.0
199.11174	9.8
204.09402	16.0
207.08034	3.3
207.11708	10.5
208.08784	9.0
209.09654	12.1
209.13243	19.0
210.10428	7.4
211.11176	25.3
212.11963	1.9
213.09169	3.2
213.12775	6.5
214.09950	2.6
219.11685	18.0
222.10371	29.8
224.11908	2.9
225.12726	53.0
225.14772	3.2
227.10637	6.9
227.14247	16.4
237.12726	70.2
255.13788	100.0
273.14871	9.6
297.14679	2.0
315.15918	51.2
357.16965	6.2
358.80585	1.9
375.17709	47.8
375.21118	6.4
394.94016	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	375.1802
Annotation	CHEBI:65836
Peak:m/z	Relative Intensity
55.05499	1.5
56.87153	1.2
57.03431	1.5
57.13810	1.2
66.80227	1.4
69.03420	9.2
69.07035	1.7
72.63211	1.4
79.05501	2.0
81.07064	13.1
83.04987	2.4
91.05485	2.2
92.18536	2.3
93.07037	2.7
95.04970	9.0
97.06529	3.0
105.07021	15.9
109.06502	8.7
109.10149	2.1
117.07032	6.1
119.08577	2.8
127.07453	1.5
129.06973	3.3
131.08556	3.0
135.08151	2.1
137.05980	2.0
141.06979	7.1
143.08546	10.1
143.19843	1.5
145.06445	7.5
146.07161	2.5
147.08066	3.4
149.70581	1.6
155.08543	14.7
156.09357	2.0
157.06558	2.1
157.10133	6.7
159.08043	30.2
161.09639	2.1
165.06999	9.3
166.07727	2.8
167.08533	18.1
168.09274	3.3
169.10057	14.6
171.08067	6.9
171.11755	1.7
172.08810	6.0
173.05943	6.2
173.09578	15.0
173.26077	1.5
175.07555	2.9
178.07738	6.9
179.08504	16.2
180.09296	9.1
181.06461	2.1
181.10085	29.5
182.10889	9.1
183.08015	6.0
183.11638	11.0
185.09637	8.6
189.09071	2.2
191.08588	2.9
192.09314	5.4
193.10162	11.3
194.10835	18.8
195.08060	7.7
195.11655	15.1
196.08826	16.5
197.09628	10.0
197.13304	16.3
198.10442	2.8
199.07507	1.6
199.11186	15.6
199.14958	1.7
204.09331	13.4
207.08093	5.5
207.11729	13.4
208.08797	11.6
209.09724	11.0
209.13231	24.2
210.10347	8.9
211.11136	29.4
213.09120	7.6
213.12694	6.0
214.09987	3.2
219.11697	18.8
222.10399	38.4
224.11978	3.6
225.12714	54.7
227.10735	2.6
227.14264	16.9
237.12726	73.5
243.51083	1.5
255.13774	100.0
273.14856	12.6
297.14828	7.0
297.18402	3.0
315.15927	37.3
315.19629	5.9
357.16852	6.4
375.07443	2.4
375.17963	55.0
375.21741	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
55.30192	1.0
56.57057	1.0
57.03434	4.6
58.75134	1.0
65.38277	1.1
67.05480	7.4
69.07043	5.3
73.66336	1.1
79.05497	12.7
81.03385	1.5
81.07036	8.0
83.01109	1.5
83.04957	2.9
83.73608	1.2
90.71562	1.1
91.05462	10.4
93.07041	13.0
95.04975	2.0
95.08572	6.3
97.06500	1.9
102.13349	1.2
105.03372	7.6
105.07037	8.8
107.04936	1.9
107.08572	7.8
109.10117	1.4
110.05490	1.3
117.07010	1.9
119.08561	11.1
121.10105	4.5
129.05380	1.2
129.06931	1.9
131.08531	6.8
133.10103	10.4
135.11690	1.4
143.08533	2.4
145.10110	5.4
147.11667	2.1
149.09593	2.5
151.11160	2.3
157.10101	1.4
159.11658	2.9
161.09595	2.7
171.11696	2.5
173.13251	1.7
179.10539	1.4
184.71033	1.0
185.13246	2.1
198.44249	1.1
199.14812	1.4
253.12036	1.3
277.13971	1.5
311.06400	2.4
315.19345	27.4
357.23926	1.8
357.56824	1.1
375.21317	100.0
375.25412	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2164
Annotation	Phanginin C
Peak:m/z	Relative Intensity
53.41656	0.8
56.22310	0.7
56.32397	0.8
93.07032	1.8
97.06528	0.9
105.07050	1.4
107.08583	1.3
109.06496	1.8
114.80711	1.0
119.08568	4.0
123.08045	4.4
129.37386	0.8
133.10156	1.8
135.08051	1.9
143.08559	4.8
145.10066	1.5
147.08040	1.1
155.08502	1.1
157.10109	3.6
159.11708	1.1
161.09567	3.5
169.10080	2.1
171.11700	1.6
175.11177	1.7
181.10153	1.2
183.11726	2.2
185.09691	1.6
191.47849	0.8
195.11694	5.5
197.13298	2.1
198.18082	1.0
199.11035	1.6
205.10239	1.1
209.13206	2.1
211.11153	1.3
211.14810	6.0
217.12236	1.6
220.12445	1.2
227.14310	1.1
229.15845	1.3
235.14812	4.2
253.15878	10.3
271.16843	9.2
297.18698	3.8
313.18073	1.6
315.19580	1.2
331.19009	100.0
375.21622	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	375.2163
Annotation	Spiramacetal
Peak:m/z	Relative Intensity
55.68966	3.7
67.97781	4.2
69.07039	4.9
70.15624	3.9
71.24354	4.8
79.05481	5.6
81.03436	7.6
81.07069	8.3
81.46227	4.7
81.70142	4.2
83.04961	5.5
87.73904	4.4
91.05494	6.8
93.07018	24.5
95.04960	10.0
95.08606	16.1
101.09736	5.0
105.07042	30.5
107.04951	4.8
107.08578	26.3
109.06520	20.8
109.10143	9.3
117.07028	7.4
119.08572	18.2
121.06482	10.0
121.10133	25.2
123.08057	31.5
131.08553	18.3
133.06479	16.7
133.10104	26.8
135.08055	37.0
135.11681	6.7
137.09613	7.5
139.07384	5.4
139.95851	4.6
143.08539	17.4
145.06419	4.6
145.10143	20.2
147.08051	7.8
147.11661	7.9
149.09599	20.6
155.08554	8.7
157.10104	22.7
159.08069	9.0
159.11765	7.1
161.09621	10.7
167.08542	6.5
169.10117	10.8
171.08125	5.6
171.11656	17.2
173.09627	16.3
175.11172	17.3
178.07663	4.6
179.08496	5.0
181.10074	6.1
183.11751	7.7
185.09593	10.5
185.13182	6.5
187.11110	4.5
189.12747	5.2
190.92741	4.7
193.10190	4.4
195.11786	7.5
197.13316	6.3
199.11180	6.0
201.12848	6.6
204.09319	6.3
208.12601	5.2
209.13211	10.4
211.11296	9.1
213.12938	5.1
215.14218	5.6
217.12283	4.4
220.12576	5.1
225.12752	17.2
227.14200	7.9
237.12694	26.4
237.16318	5.3
239.14313	5.4
251.18069	5.2
255.13808	32.7
255.17490	4.3
261.16376	6.6
269.19028	16.1
279.17368	17.8
297.18500	42.0
315.19525	50.8
333.20343	5.1
357.20581	9.4
375.17737	15.0
375.21756	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	375.2166
Annotation	Spiramacetal
Peak:m/z	Relative Intensity
54.56247	1.0
60.28868	1.4
67.05492	3.0
69.03421	3.1
71.04984	1.5
73.55381	1.2
79.05480	2.8
81.07038	5.9
83.04964	2.1
90.51113	1.5
91.05483	2.6
93.07063	10.0
95.04964	10.8
95.08617	9.6
105.03392	100.0
105.07040	14.2
107.04959	1.5
107.08584	11.7
109.06519	10.5
109.10175	3.0
117.07016	2.8
117.27831	1.6
119.08601	10.3
121.06503	6.3
121.10119	8.8
123.08060	8.0
123.11655	1.5
129.07016	2.1
131.08543	7.4
132.72673	1.4
133.10101	11.3
135.08058	2.6
135.11684	2.2
137.09598	2.5
141.06952	1.8
142.07785	2.3
143.08539	6.4
143.51263	1.3
145.10120	6.8
147.08051	3.1
147.11638	6.4
149.09634	2.4
151.07516	6.6
153.06987	1.8
155.08563	19.1
156.09280	1.5
157.10077	10.3
159.07996	2.3
159.11652	7.7
161.09624	5.7
161.13248	2.2
165.06963	1.5
165.09161	1.5
167.08533	7.0
168.09315	2.3
169.10120	21.8
171.08154	1.4
171.11682	8.0
173.09596	2.6
173.13251	2.2
175.11166	8.0
175.14864	1.5
176.81218	1.4
179.08530	2.8
181.10107	9.1
182.10910	7.8
183.08122	2.0
183.11679	28.5
185.09532	2.9
185.13220	3.1
187.11209	2.3
189.12744	2.7
191.10704	1.6
192.09360	1.7
193.10121	2.2
194.10886	1.6
195.11621	9.5
197.09628	5.9
197.13239	22.5
199.14905	1.5
201.12770	1.8
207.11693	9.1
209.09584	2.3
209.13272	5.4
210.10403	4.9
211.09422	1.7
211.11172	9.0
213.12709	2.6
215.14200	1.6
223.11194	1.8
223.14888	1.8
225.12723	36.0
235.11041	2.0
235.14868	1.5
236.15657	2.1
237.12752	1.5
251.18004	3.2
253.12234	38.6
262.31540	1.5
269.19016	5.9
279.17538	3.0
281.15323	1.6
287.20227	2.4
297.18488	16.0
313.18109	2.0
315.19604	21.5
357.20648	3.0
375.16046	34.0
375.21677	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2166
Annotation	Spiramacetal
Peak:m/z	Relative Intensity
57.03419	1.9
57.42252	1.4
58.06100	1.4
65.56009	1.3
67.05495	3.2
69.03406	2.1
69.07044	3.4
70.42721	1.3
70.68750	1.4
71.04974	1.9
79.05490	17.3
81.07072	11.3
83.04962	6.7
91.05486	8.1
93.07025	15.4
95.04973	11.9
95.08601	14.4
97.06494	3.6
105.07019	24.2
106.47906	2.0
107.08601	25.7
109.06522	11.8
109.10145	7.8
111.63914	1.8
117.07021	3.5
119.08588	18.4
121.06486	6.8
121.10139	22.4
123.08060	8.1
123.11684	3.2
129.06978	6.5
131.08554	15.0
133.06480	8.8
133.10158	14.5
135.08055	13.6
135.11664	2.9
137.09589	7.7
139.07535	2.0
143.08591	12.6
145.06523	2.2
145.10083	12.0
147.08060	9.3
147.11678	9.7
149.09601	11.1
151.07500	13.3
151.11179	3.0
155.08508	7.3
156.40675	1.8
157.10091	15.8
159.08040	6.4
159.11655	6.5
161.09613	7.8
161.13193	2.5
163.07533	1.8
163.11157	4.0
165.06915	2.8
165.12662	2.5
167.08495	3.0
169.08722	4.3
169.10123	11.9
171.08034	4.0
171.11674	11.5
173.09569	9.0
173.13275	6.6
175.11147	8.0
177.09059	2.1
179.08485	2.7
180.09386	2.8
181.10138	7.1
183.07915	2.1
183.11679	12.0
185.09651	6.2
185.13196	2.6
187.11168	2.3
189.09142	2.1
191.10634	2.4
193.10225	3.0
193.12090	2.2
195.11697	10.7
196.08899	2.9
196.12418	1.6
197.09625	1.9
197.13268	6.9
199.11188	11.1
201.12737	2.7
207.11714	2.8
208.12460	2.4
209.09518	2.5
209.13292	10.1
211.09613	6.5
211.11295	6.1
211.14812	8.4
213.12852	2.6
213.16304	1.7
217.12228	1.8
221.13258	3.0
223.11214	1.7
225.12785	2.7
225.16451	2.2
227.14255	2.5
229.15759	1.8
235.14919	2.4
237.11121	6.9
237.13115	2.2
239.14297	6.4
241.15915	1.9
251.17944	7.7
255.13747	2.2
255.17519	1.9
257.15488	2.8
266.19275	1.7
267.17548	5.5
269.18945	8.2
271.17035	1.6
273.14838	2.6
279.17450	9.5
285.18256	2.5
287.20078	2.2
297.18497	26.5
299.17984	1.6
315.19498	27.9
333.20673	2.1
357.20584	13.2
375.18167	4.8
375.21634	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	375.2167
Annotation	Spiramacetal
Peak:m/z	Relative Intensity
54.38640	1.7
57.03420	1.7
57.07049	1.9
67.05503	2.7
71.62663	1.8
79.05494	9.9
79.16093	1.9
81.07047	9.5
83.04967	2.1
83.08654	2.7
91.05470	4.7
92.17937	2.7
93.07040	23.4
95.05009	2.0
95.08601	13.7
105.03377	3.9
105.07018	13.9
107.04935	2.7
107.08600	15.5
109.06512	3.8
109.10178	10.0
111.07981	2.2
119.08562	17.7
121.06499	4.7
121.10161	16.6
123.08050	9.0
123.11721	8.4
131.08574	10.7
133.06493	2.4
133.10141	16.7
135.08063	3.4
135.11636	3.5
137.09622	8.4
143.08588	5.1
145.10103	15.0
147.08078	4.4
147.11766	3.1
149.09599	9.9
151.07506	2.6
155.08556	3.8
157.10133	10.9
159.08047	3.6
159.11685	8.7
161.09581	2.5
165.09074	2.5
167.08542	3.0
169.10124	4.8
171.11772	4.0
173.09683	2.2
173.13336	3.1
175.11165	4.3
181.10207	2.9
183.11703	8.5
185.13275	4.9
187.11166	3.5
195.11717	7.5
197.13319	2.3
199.11145	4.4
201.12921	3.2
209.13152	6.9
211.11301	2.3
221.13376	2.5
225.12691	2.7
227.14267	3.9
237.12825	2.6
237.16333	7.8
251.17984	4.7
255.17548	3.4
257.15390	2.3
267.17523	2.6
269.19073	10.1
279.17480	9.7
287.20145	3.0
296.24326	2.2
297.18353	20.1
315.19571	32.2
333.20438	2.3
357.20667	8.7
359.42758	2.1
375.21609	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05519	3.1
56.45611	1.3
62.12646	1.4
65.39689	1.5
67.05532	1.9
69.07069	8.5
71.04998	2.8
79.05497	1.8
79.12290	1.3
81.07059	12.4
83.08606	6.0
85.02902	3.8
85.06533	3.6
85.72189	1.6
92.89648	1.5
93.07037	8.4
95.08600	24.8
97.10180	6.7
99.08096	9.5
107.08606	24.9
109.10151	10.4
111.08066	9.4
113.09687	2.2
119.08557	2.1
121.10141	47.0
121.70287	1.4
123.04420	3.0
123.11732	1.9
125.09643	6.5
135.11707	10.1
137.05956	3.7
137.13266	7.1
149.13258	3.3
151.03896	9.3
153.05498	2.7
165.12024	1.5
177.05499	5.4
177.16373	100.0
195.17433	15.6
201.41844	1.5
213.18529	40.5
219.71925	1.6
265.13739	1.5
303.59616	1.4
375.14359	1.6
375.21594	7.9
393.94806	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	375.2375
Annotation	Platanionoside J
Peak:m/z	Relative Intensity
54.35095	1.9
55.01875	2.3
55.05511	13.3
57.03431	4.9
57.07079	3.6
59.04995	2.7
61.02927	5.1
61.73349	2.1
62.91796	2.5
67.05499	3.7
69.03432	23.2
69.07061	37.4
71.04979	5.4
71.08588	2.0
73.02857	2.2
81.03429	4.7
81.07056	32.1
83.04968	12.0
83.08619	9.6
85.02904	82.0
85.06537	23.5
87.04488	7.4
88.85007	2.0
91.03965	3.2
91.05476	2.8
92.17886	3.8
93.07034	9.8
95.08598	38.1
97.02386	2.1
97.02895	26.6
97.06489	9.1
97.10162	15.4
99.04450	8.3
99.08084	29.3
105.07034	8.1
107.08584	27.8
109.02858	10.0
109.10172	24.2
111.08038	3.5
111.11710	8.2
113.09622	9.6
121.10131	39.5
121.53793	2.4
123.04369	3.7
123.11696	10.3
125.09667	8.2
126.61490	2.3
127.03934	18.3
131.04932	21.3
135.08037	2.5
135.11674	22.0
137.05986	20.0
137.13231	20.3
139.11165	8.7
145.05000	5.1
147.04384	5.5
149.13251	2.9
151.03935	4.1
151.14832	5.3
153.05450	51.0
153.12749	12.0
163.07504	4.9
164.85251	2.7
177.16370	90.9
179.07037	10.8
195.17453	34.1
205.08643	2.8
209.13336	3.4
213.18478	100.0
297.18259	3.6
339.12256	4.7
339.21558	2.6
357.13351	22.4
375.14282	14.8
375.20245	2.0
375.23953	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86963	0.6
71.28403	0.8
79.05492	2.6
81.07055	7.4
83.08630	0.7
91.05459	4.0
93.07018	4.5
95.04994	1.1
95.08605	5.1
96.39536	0.7
105.03394	1.0
105.07036	6.6
107.08600	17.5
109.06492	0.7
109.10134	3.6
117.07029	3.0
119.04942	3.8
119.08569	3.5
121.10151	3.6
123.11698	4.6
131.08582	1.4
133.06499	3.8
133.10121	6.0
135.08054	100.0
143.08533	1.2
145.06487	4.7
145.10127	2.7
147.11736	1.1
149.13252	1.0
157.10112	0.9
159.11662	1.0
161.09607	8.1
163.11157	5.4
167.37263	0.7
171.11629	0.8
173.13213	0.9
179.10684	6.8
185.13293	0.8
197.13176	0.9
199.14937	0.8
201.12616	1.0
213.12779	1.0
215.14285	0.7
218.43820	0.8
227.14246	1.0
233.31448	0.9
244.32446	0.8
261.32681	0.7
265.19473	1.0
283.20572	13.0
301.21561	0.9
375.25378	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.8
67.05493	11.3
69.07082	9.6
79.05486	14.7
80.53487	8.1
81.07058	47.1
83.12028	7.1
90.01138	8.1
91.05474	18.3
93.07047	92.1
95.04955	34.1
95.08592	43.4
102.01219	9.3
105.07038	100.0
107.08611	46.6
109.10149	16.9
117.06976	7.7
119.08564	85.2
121.06472	19.3
121.10176	70.0
121.10896	8.1
123.11665	8.6
128.06233	8.5
131.08589	33.7
133.10129	40.9
135.11652	11.3
143.08556	15.8
145.10153	66.5
147.11682	11.3
157.10123	41.5
159.11729	13.3
161.09570	10.1
170.60413	8.1
171.11659	10.8
173.13231	16.1
175.14746	7.9
182.72231	8.1
183.11703	10.0
195.11665	10.2
197.13191	10.5
198.48199	7.8
253.15991	10.0
276.05960	9.9
276.33929	8.8
375.26724	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	41.3
70.81785	4.7
97.65833	4.4
116.65153	5.1
135.97894	5.3
138.42648	4.7
157.10098	8.6
209.13144	17.7
223.14815	7.8
235.14859	8.0
249.16440	25.5
250.17108	10.4
251.17982	4.8
261.18683	4.9
320.07184	5.4
334.15552	6.6
346.23166	5.1
351.59778	5.0
375.25598	16.4
375.30423	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	376.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85279	0.6
70.06560	3.9
73.49351	0.6
87.34522	0.6
95.04960	0.9
100.02192	5.0
112.07596	0.7
121.06456	1.0
122.80617	0.7
135.04366	1.5
136.07564	1.5
137.05942	1.3
139.03897	24.6
146.02686	10.1
149.05951	1.1
151.03860	1.4
161.05978	0.8
163.03899	7.1
163.07539	8.1
165.05402	2.6
173.05884	4.6
179.07019	5.4
181.04933	3.5
185.05873	0.9
190.08617	20.3
191.07019	64.7
196.09619	0.8
203.07039	5.5
208.09674	100.0
214.10675	1.3
231.11255	5.1
260.61557	0.7
341.10056	4.2
358.12543	2.8
359.11438	1.0
376.13693	67.9
397.03430	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	376.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	3.6
78.77366	0.6
83.42736	0.5
89.23333	0.5
90.26138	0.6
95.04965	0.9
100.91337	0.6
115.03881	0.7
121.06460	0.9
123.35156	0.6
135.04416	1.2
136.07582	2.2
137.05951	0.6
139.03900	25.5
149.06017	0.7
151.03903	3.7
153.05466	0.9
157.01335	0.9
161.05931	0.9
163.03885	10.6
163.07506	6.7
165.05406	1.1
173.05972	5.1
175.03822	0.6
179.03419	3.0
179.06956	5.0
181.04892	4.8
189.03911	2.1
190.08621	21.7
191.07019	68.0
195.06564	0.7
203.07091	3.5
205.04979	0.7
208.09682	100.0
219.03026	0.7
251.13466	0.6
323.07809	1.0
341.10437	4.2
358.12839	2.5
359.11313	1.3
376.13892	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	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13403	0.5
70.06578	1.6
81.03381	0.7
85.02881	0.7
86.09691	3.2
89.96307	0.6
92.28741	0.6
95.04946	0.9
99.02895	0.5
104.97290	0.6
106.84177	0.6
107.04960	0.9
109.08974	0.7
111.90707	0.7
132.10179	0.9
135.04414	0.7
135.08101	0.6
136.07541	2.7
139.03909	16.7
145.06467	0.8
149.06017	0.8
151.03819	1.1
153.05499	0.6
161.05882	0.9
163.03894	10.1
163.07556	8.0
163.26425	0.6
173.05954	5.4
175.07458	0.8
179.03392	2.4
179.07042	5.5
180.10208	0.9
181.04929	3.2
190.08629	19.3
191.07024	65.6
196.09659	3.0
203.07014	2.5
205.05112	0.9
208.09682	100.0
208.74156	0.6
214.10777	5.7
215.07079	0.8
286.76041	0.7
341.10199	2.7
358.12820	1.2
376.09952	1.9
376.13867	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	376.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38437	0.9
70.06564	4.0
80.11675	0.8
86.09714	1.3
95.04965	1.1
134.59254	1.0
135.04469	1.3
136.07605	1.6
137.05914	1.2
139.03888	27.6
141.64281	1.0
144.21648	0.9
149.05872	0.9
151.03847	3.6
163.03912	10.5
163.07503	8.5
173.05971	6.1
179.03412	1.8
179.07054	7.2
181.04945	5.1
185.05832	1.0
190.08623	21.7
191.07028	76.3
203.07025	4.8
208.09679	100.0
212.51801	1.0
264.49799	1.1
336.68198	1.0
341.10324	2.1
359.11298	1.5
376.13904	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
61.02916	2.3
69.03438	11.5
71.04989	1.6
73.02925	2.5
81.03436	1.7
85.02908	32.1
87.36617	1.4
91.05457	3.3
97.02876	9.6
99.04486	1.7
107.04938	2.1
109.02880	6.0
112.05089	100.0
119.04944	23.9
126.09094	1.8
127.03922	9.3
135.04411	7.7
136.07610	2.3
137.05980	46.9
140.02251	2.7
145.04933	6.9
147.03262	3.1
147.04404	64.5
149.02815	2.7
149.05943	3.1
151.07549	5.5
152.02269	1.6
153.03137	1.5
155.02890	2.8
161.02812	2.7
167.07056	15.2
170.03343	23.9
178.08669	2.2
179.07025	71.7
179.08508	2.9
182.03401	3.1
191.03925	1.7
196.09824	2.1
197.08080	12.1
205.05423	23.8
214.05891	13.5
214.10780	6.5
244.09259	2.7
265.05869	6.6
269.20273	1.7
286.08035	1.8
295.08542	16.5
311.11349	2.0
376.11334	3.5
376.15991	6.2
376.21887	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
58.30586	0.8
59.58578	0.8
61.02919	1.1
65.77874	0.8
69.03416	4.1
73.99878	1.0
84.57378	0.9
85.02905	23.0
91.03977	1.1
97.02886	7.7
109.02871	1.5
112.10970	0.9
123.27180	1.1
127.03920	4.1
137.05974	100.0
145.04953	5.7
151.07487	1.2
179.07028	33.0
180.08649	4.1
197.08046	10.3
214.10793	1.3
253.29495	0.9
363.25998	1.0
376.15756	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	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
61.02919	0.5
61.65596	0.3
61.78196	0.3
65.58224	0.3
69.03408	0.7
71.04965	0.4
81.03398	0.6
85.02905	9.3
86.50250	0.4
87.04475	0.4
97.02868	1.7
102.30007	0.4
109.02852	0.7
119.08572	2.0
120.08080	0.4
125.05995	1.4
127.03927	1.7
137.05969	100.0
145.05014	0.7
147.08035	13.5
147.09158	0.7
179.10651	19.6
180.08598	0.5
189.09038	0.4
197.11740	1.9
279.84488	0.4
315.23346	0.4
346.16650	0.4
383.76523	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	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28021	0.5
75.08851	0.6
77.83949	0.6
85.02896	3.4
87.02429	0.6
91.05482	0.9
112.72662	0.6
117.07000	0.6
121.06499	10.3
149.08698	0.8
149.09610	52.2
151.07539	23.6
161.09596	5.4
179.10663	100.0
191.14638	0.5
197.11736	5.6
207.09175	0.6
283.80453	0.5
311.11325	0.5
323.14771	0.7
358.13617	1.0
376.16711	1.3
376.21185	0.9
376.25494	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	376.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57546	1.4
55.05507	1.8
67.05506	2.6
69.07072	2.2
83.04992	3.2
83.98700	1.8
91.05470	4.2
93.07016	6.6
95.08578	3.1
105.03406	2.4
105.07011	10.8
107.08610	7.4
109.10177	1.8
119.08570	70.2
121.10125	9.6
131.08562	3.1
133.10120	7.3
135.11685	3.1
137.09619	7.4
145.10117	14.8
147.11679	24.4
149.09561	2.8
153.09085	3.3
156.69852	2.1
159.11673	3.0
161.09561	2.5
163.11148	7.8
165.09085	7.6
169.10161	3.9
173.09689	1.9
173.13205	4.0
183.11746	2.2
187.11125	1.9
197.13293	3.5
203.14381	2.3
211.14763	8.9
236.39668	2.1
243.21057	2.8
253.19514	3.6
299.20023	100.0
352.32272	1.7
359.22006	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	376.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50233	0.4
51.73936	0.4
52.39091	0.5
57.07082	21.2
57.64149	0.4
59.11636	0.4
65.85355	0.4
70.55501	0.5
77.45650	0.4
88.47328	0.5
92.17925	0.9
111.11909	0.5
113.77402	0.5
125.07056	1.0
126.05480	2.5
134.17119	0.5
171.67093	0.5
187.12929	0.6
208.14545	0.6
209.12862	14.3
210.11349	0.8
218.12877	4.0
219.11304	1.1
275.17426	6.9
292.20193	12.0
292.23480	0.7
293.18564	13.0
302.18607	24.8
358.24945	0.5
376.25934	100.0
394.26761	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	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
55.06383	0.9
56.05034	1.5
56.93459	0.8
57.07086	1.0
60.04515	3.6
64.08302	1.0
67.05507	1.6
68.05018	1.8
69.07057	1.8
71.08622	1.5
72.04520	51.4
74.06078	10.1
74.85139	1.0
76.04003	9.7
79.05467	1.2
81.07055	2.1
83.08611	3.7
86.06075	4.0
88.03996	10.1
90.05540	4.5
95.08598	5.1
97.10146	1.9
102.05524	4.4
109.10112	1.5
114.05515	7.6
118.05016	66.1
132.06544	1.2
147.64146	0.9
166.39526	0.9
199.35429	0.9
264.26889	3.8
282.27866	6.2
291.98541	1.0
294.27859	1.4
310.27472	2.2
322.27353	1.8
340.28424	4.7
358.29617	10.2
376.30569	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	376.9322
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39333	2.5
72.02520	3.3
72.47525	2.8
75.32304	2.6
110.15112	2.5
123.53786	2.8
136.82578	2.8
136.94016	83.8
144.05362	2.8
179.92850	3.5
201.34734	3.4
221.66174	3.3
270.92007	3.4
278.95267	48.3
294.92935	100.0
294.95779	4.0
312.85550	3.9
323.41962	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	377.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59985	0.8
57.03433	1.5
62.56676	0.9
69.03407	1.9
71.53648	0.9
73.02926	2.4
81.03400	1.5
83.16907	0.9
85.02911	9.1
97.02858	1.4
101.00834	1.0
109.02867	1.1
113.19475	1.0
127.03854	4.0
145.05028	1.5
163.05287	1.0
169.05214	1.1
173.02971	1.1
183.04141	2.2
192.04716	1.3
199.06300	1.8
213.02399	5.6
221.04907	1.3
251.04306	1.3
257.01416	1.5
260.78281	1.0
269.05307	1.1
277.07642	21.1
280.08777	12.8
289.07590	1.4
295.08734	2.1
307.08536	1.3
308.30133	1.1
312.17142	1.0
329.70041	1.1
377.04758	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	377.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11724	1.0
95.26707	1.2
110.40027	1.2
113.42412	1.3
213.02315	2.4
257.01242	1.4
291.86447	1.3
377.04773	100.0
394.33130	1.2
396.13474	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	377.1453
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
50.77883	0.8
53.03947	0.9
57.03449	8.3
59.04979	0.7
61.02922	3.3
69.03085	0.9
69.03426	14.4
71.01335	4.3
71.04979	4.8
73.02902	1.5
75.04473	1.7
81.03411	4.7
99.04458	7.3
107.17517	0.8
110.17721	0.7
112.56873	0.7
117.05521	1.1
152.83043	0.7
160.20393	0.7
172.08681	15.1
200.08170	4.6
216.07707	11.4
243.08746	100.0
331.36700	0.8
359.13501	2.9
375.05365	0.7
377.14536	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
55.01874	2.6
55.05506	2.8
57.72636	1.8
59.24734	1.9
59.73169	1.8
61.58962	2.0
61.78300	2.1
69.07053	2.4
69.96101	1.7
70.10201	1.9
71.01341	2.4
79.05473	5.0
81.07047	11.9
83.04971	2.2
85.06532	2.7
91.05455	9.0
93.07041	11.1
95.04975	3.2
95.08610	9.9
97.06498	2.7
97.10147	2.9
99.28981	2.4
103.05463	12.5
105.07011	8.2
107.04951	45.3
107.08633	6.4
109.10154	3.2
111.04430	2.1
114.09079	2.4
119.08541	4.9
121.06512	8.1
121.10139	7.6
123.04386	2.6
123.11674	3.4
125.05994	2.9
129.66705	2.3
131.04901	8.8
133.02809	3.1
133.06456	4.4
135.04399	10.9
135.08026	19.1
137.05972	22.2
138.06721	3.1
145.06532	2.8
145.10168	3.3
147.04333	3.2
149.05974	10.6
149.13228	3.1
150.06747	4.6
151.02678	3.6
151.03900	87.5
151.04973	3.1
153.05461	16.1
157.10091	3.5
161.06006	16.3
161.09604	4.2
163.03911	2.3
163.06157	3.5
163.07529	100.0
167.07014	3.5
177.05457	10.1
178.06229	34.1
179.07054	9.0
181.08580	40.5
182.09450	5.1
187.14873	2.6
189.05373	3.1
189.09088	7.9
195.06494	18.4
196.07353	8.5
207.10158	9.7
259.17093	2.9
323.25821	4.2
329.13803	8.7
341.26938	3.8
359.14990	9.9
377.15692	10.2
377.23450	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	377.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48623	1.4
105.07082	1.8
105.34262	1.5
123.04423	15.6
163.03784	1.7
179.03432	2.7
179.08559	2.2
191.08566	7.1
194.07237	6.2
200.41089	1.8
205.06535	6.8
206.07199	2.8
207.02930	2.6
207.08089	3.9
208.08766	2.2
209.09665	10.1
210.06708	2.0
211.07605	10.4
219.08078	10.3
221.05984	3.7
222.06761	22.1
225.09102	3.8
231.08104	6.4
233.06042	3.5
235.07587	2.5
236.08269	2.2
237.04051	1.9
237.09019	26.3
239.07033	15.8
247.07506	4.0
248.08345	2.7
250.06284	10.2
253.08594	7.8
254.09343	2.2
259.07565	7.7
259.09885	2.4
264.07748	2.6
265.08591	100.0
267.06607	2.0
267.10120	9.4
271.09653	32.6
276.07858	4.0
279.10114	21.5
282.08835	3.2
285.11172	18.5
291.10162	8.7
297.11206	86.2
299.12839	2.3
309.11176	2.0
311.12708	15.2
315.12231	6.7
323.12729	18.0
333.13297	8.2
341.13849	42.5
359.14926	8.6
377.08414	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	377.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56356	2.5
62.15791	2.7
67.27493	2.6
69.07079	3.7
81.07043	6.8
86.50525	2.8
91.05466	5.2
93.07029	7.1
93.26798	2.8
105.03375	16.2
105.07014	12.5
107.08642	3.5
109.06514	2.7
117.07018	3.9
119.08576	18.2
129.07005	4.2
131.08545	12.6
133.10077	5.4
141.06973	16.1
143.08566	16.0
145.10164	11.2
147.08040	5.5
155.08569	37.5
157.10147	13.6
159.08081	11.7
161.09599	46.2
163.07477	2.8
165.06982	10.5
167.08563	12.2
168.09346	11.8
169.10118	100.0
171.11571	3.6
179.08554	18.0
180.09387	4.9
181.10126	16.9
182.10910	6.8
183.11737	35.4
191.08516	5.6
193.10161	13.1
195.11708	25.0
196.12480	21.4
197.09648	14.2
197.13289	12.4
203.10701	15.9
206.10876	22.9
209.13269	6.3
210.10423	4.6
211.11232	5.3
211.14809	93.1
211.16743	5.0
213.12761	5.3
215.14230	3.1
221.13225	64.7
224.11955	3.3
239.14297	100.0
257.15359	21.7
281.15411	4.5
282.78769	2.8
299.16153	9.2
359.18512	17.5
377.22058	3.4
400.95502	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	377.1961
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
50.35445	1.6
55.01862	1.6
67.05478	1.8
70.10561	1.9
79.87905	2.2
81.07056	4.7
93.07030	7.8
95.04953	4.4
95.08590	10.7
97.06493	3.4
97.58598	2.2
105.07020	4.3
107.08579	10.8
109.06539	14.4
109.10069	3.1
111.08040	2.9
119.08559	4.8
121.06498	14.7
121.10119	8.0
123.08053	18.0
125.09647	2.7
131.08594	2.5
132.75288	1.8
133.06476	7.4
133.10080	3.3
135.08025	20.0
137.05954	4.0
137.09564	9.3
139.07507	2.6
143.08530	2.8
145.10106	5.0
145.41051	2.0
147.08023	7.9
149.09573	4.1
151.07588	3.5
153.09082	5.0
157.10017	8.1
159.08003	8.2
161.09555	8.9
163.07512	12.3
163.11166	2.7
165.09093	8.3
169.10110	4.5
171.08032	3.5
171.11711	3.2
173.09608	4.3
175.11205	5.0
176.87402	2.1
181.08563	8.1
181.10049	2.9
185.09615	2.9
185.13210	3.8
187.11131	13.2
195.11748	4.1
196.08513	2.3
197.09578	2.9
199.11057	3.4
201.09119	2.6
201.12631	3.0
203.10580	2.4
211.11092	4.6
211.14812	3.6
213.12805	14.0
215.10480	2.0
221.13124	2.6
223.11229	3.4
227.14235	4.3
229.12219	3.2
229.15857	3.2
231.13712	3.4
237.12668	2.7
239.14340	3.8
241.12172	3.7
253.16051	5.9
257.11737	23.4
257.15179	7.6
271.16934	14.1
281.11194	2.2
281.15298	9.0
286.15628	3.3
289.17984	3.6
298.11847	2.2
299.13052	5.8
299.16367	25.9
316.12961	9.4
317.13876	3.6
317.17380	34.6
319.15344	3.2
335.18369	12.2
341.17535	3.8
359.15213	2.2
359.18518	33.5
377.10059	3.0
377.16061	4.9
377.19437	100.0
377.23047	7.4
383.80783	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	377.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65522	0.9
55.05507	4.8
57.03429	1.2
67.05507	22.4
69.07051	5.2
79.05484	11.8
81.07055	30.3
83.04972	1.1
83.08639	7.3
85.06503	1.2
91.05473	6.1
93.07037	12.0
95.08600	32.2
97.06541	1.8
97.10193	1.9
105.07076	2.1
107.08591	8.4
109.10142	12.1
111.08099	2.3
118.31613	1.1
119.08572	5.2
121.10137	12.6
123.04424	1.4
123.11703	6.2
123.26338	1.1
127.03924	18.7
131.08533	1.2
133.10110	9.6
135.11696	6.2
137.05980	1.1
137.09570	1.7
139.03894	25.1
147.11705	1.7
149.13290	1.3
151.11116	3.5
153.01820	100.0
163.03847	1.5
165.05484	7.3
170.82077	1.3
177.05544	1.2
181.04956	2.4
193.35426	1.1
215.18047	7.9
233.18970	7.4
234.55437	1.1
251.20038	17.4
258.10727	1.1
306.57773	1.2
312.00854	1.0
342.03409	1.3
359.22061	6.5
377.23132	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	377.2324
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
50.19566	0.4
55.05511	0.9
57.07046	1.1
61.26551	0.6
67.05482	2.6
69.07049	3.9
71.08627	0.9
71.91992	0.6
79.05470	1.1
81.07053	2.1
83.08601	1.2
93.07038	1.1
95.08582	2.9
97.10125	0.8
107.08565	2.6
109.10114	0.8
119.08548	1.3
121.10111	2.5
123.11682	0.6
129.05493	0.6
131.08517	0.8
132.23204	0.6
133.10098	1.0
135.11693	1.2
139.03880	3.5
147.11613	0.7
153.01811	18.4
158.11351	0.6
169.10066	0.7
171.11569	0.5
179.03419	5.2
184.93272	0.6
187.14847	0.6
191.03326	1.1
192.04207	0.8
193.04974	1.4
195.79004	0.6
205.04973	8.0
205.08478	0.7
219.06612	0.7
233.08017	0.9
234.29570	0.6
247.09570	0.9
261.11014	1.0
267.21066	0.7
275.12695	2.8
285.22159	0.9
289.14307	2.6
303.15930	4.3
317.17511	4.3
359.22153	100.0
377.23090	49.4
377.26819	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	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
55.93999	1.7
57.03424	3.3
65.77815	1.8
67.05509	18.7
69.07047	3.3
71.04972	3.2
76.65581	1.9
79.05481	18.6
81.07061	19.5
82.70492	1.9
85.06538	4.5
87.04456	2.4
91.05460	16.8
91.22059	1.8
93.07040	30.0
95.08605	17.8
105.07021	15.0
107.08610	20.5
109.10123	9.3
117.06996	11.0
119.08595	19.4
121.10149	20.7
123.11676	7.7
127.51600	1.8
127.77431	1.7
129.05449	13.0
129.06970	4.3
131.08566	19.8
133.10138	20.8
135.11696	21.1
141.06978	2.2
145.10112	20.9
147.11679	17.9
149.09612	3.1
149.13252	7.1
151.11197	4.4
155.08595	2.3
157.10141	8.4
159.11670	15.6
161.13252	14.8
163.11182	4.0
169.10210	5.6
171.11647	10.7
173.13261	10.3
175.11105	3.4
175.14807	7.0
183.11629	4.1
185.13254	12.9
187.14819	7.7
189.12708	7.5
189.16455	3.1
197.13269	9.0
199.14867	4.6
201.12730	8.2
201.16364	13.6
203.14378	3.6
211.14790	8.0
225.16391	7.3
229.33588	2.6
241.19516	2.7
243.21132	12.5
267.21033	22.4
285.22046	33.5
319.34488	2.0
373.48972	1.9
377.22168	3.8
377.26852	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	377.2686
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
51.18127	1.7
55.01875	4.2
55.05513	3.1
57.03434	5.2
67.05510	18.6
69.07059	4.1
71.08632	60.2
79.05487	19.7
81.07064	17.0
83.04988	4.2
91.05483	13.4
93.07034	21.2
95.04939	2.1
95.08588	11.9
97.06512	13.7
99.08093	30.6
105.07031	20.3
107.08575	10.7
109.10136	4.2
117.06989	9.3
119.08595	11.8
121.10141	13.0
127.11193	3.1
129.05510	3.3
129.06984	4.3
131.08543	16.5
133.10123	5.0
135.11644	3.4
143.08496	3.4
145.10109	16.3
147.11697	2.1
151.11166	5.0
159.11664	4.9
161.13208	3.6
163.11208	3.4
171.11688	25.3
185.13292	2.3
187.14825	8.5
189.12799	7.6
201.16429	2.5
205.15930	4.8
219.17387	10.6
252.60208	2.2
267.21017	4.7
285.22076	12.2
303.23267	3.7
377.26852	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	377.2685
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
50.29947	2.1
55.01878	2.9
56.52499	2.4
57.03425	9.7
67.05500	24.8
69.07057	5.0
71.04974	3.6
79.05495	22.5
81.07043	21.3
83.08588	3.8
85.06548	3.7
87.04472	3.0
91.05466	17.2
93.07038	37.5
95.08595	17.3
97.77656	2.5
105.07021	12.2
107.08591	16.8
109.10157	6.4
115.00617	2.3
117.06989	3.9
118.73660	2.5
119.08588	18.7
121.10130	31.6
123.11720	5.6
129.05461	32.5
129.06972	4.1
131.08533	17.8
133.10117	25.4
135.11707	26.1
137.09557	2.7
139.03906	4.2
141.06990	3.2
145.10104	17.2
147.11687	19.1
149.09659	5.6
149.13206	4.3
153.01799	15.4
159.11659	5.8
161.13231	12.0
163.11131	3.5
171.11620	4.9
173.13264	11.0
175.14777	6.2
179.03310	4.0
183.11678	3.9
185.13231	5.6
187.14738	3.7
189.12631	3.1
189.16428	4.1
191.07138	2.9
197.13289	5.5
199.14790	3.5
201.12518	3.7
201.16351	6.0
203.14313	4.7
211.14804	4.3
225.16351	3.1
243.20992	11.5
257.19125	3.3
257.22424	3.3
261.18237	3.0
267.21143	21.8
285.22070	34.3
289.14319	3.9
303.16019	3.0
303.23300	3.8
317.17514	3.5
359.22125	100.0
359.26404	4.8
377.22955	35.5
377.26935	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.01884	5.0
55.05516	9.7
55.15357	1.9
57.03447	12.9
66.00138	2.2
67.05522	23.3
69.07080	5.4
71.08633	72.0
79.05493	31.3
81.07056	24.4
83.05001	5.1
83.08646	2.8
85.01980	2.5
85.06544	3.3
87.26923	3.0
91.05476	20.2
92.18579	5.5
93.07026	30.5
95.04967	3.2
95.08601	9.8
97.06506	17.5
99.08097	32.0
105.07036	23.9
107.08601	5.7
109.06583	3.1
109.10181	10.5
117.07040	5.9
119.08561	21.8
121.10158	16.0
127.11202	4.5
129.05511	5.5
129.07037	10.6
131.08572	25.2
133.10149	9.9
143.08643	2.8
145.10143	25.2
147.11649	3.1
151.11224	11.3
159.11739	11.0
161.13258	3.9
163.11153	3.1
169.10114	3.0
171.11679	34.2
185.13284	5.7
187.14906	9.8
189.12759	10.6
201.16385	5.1
205.15906	9.2
219.17461	12.0
267.21097	4.6
279.60034	2.3
285.22232	11.6
303.23276	12.4
359.22281	2.5
377.26889	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87133	0.3
60.04515	1.0
69.03413	0.5
70.06588	0.4
85.02900	7.0
91.03989	0.5
92.17843	0.4
92.71369	0.4
96.15631	0.4
97.02875	1.9
116.07079	0.4
127.03943	0.9
133.33687	0.4
137.05972	100.0
145.04926	0.6
151.07523	0.9
163.07523	3.1
163.94907	0.4
180.36678	0.4
181.08592	18.5
342.22778	0.7
357.39490	0.4
360.23804	1.8
378.24866	0.7
378.85199	0.4
384.44434	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	378.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75344	0.2
58.88389	0.2
61.02938	0.3
66.87371	0.3
67.21871	0.3
69.03430	0.3
81.03413	0.3
85.02905	3.6
86.09707	0.4
91.03949	0.3
97.02879	0.5
122.03667	0.6
127.03929	0.4
131.04953	0.4
137.05980	100.0
151.07513	0.6
163.07507	2.4
175.07533	0.5
181.08585	13.2
205.08693	0.3
253.70882	0.3
307.11731	0.3
353.95468	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62748	0.3
51.85165	0.3
53.96861	0.3
60.78873	0.3
61.02926	0.9
69.03412	1.8
73.02881	0.3
75.47204	0.3
85.02898	7.6
91.03943	0.4
96.85335	0.3
97.02884	2.3
109.02901	0.4
120.80903	0.4
127.03888	1.4
127.32202	0.3
137.05971	100.0
141.99185	0.4
145.04948	0.7
151.07576	0.7
155.48788	0.3
163.07545	2.0
175.07597	0.5
180.08687	0.6
181.08572	15.3
245.67950	0.4
326.53329	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	378.2485
Annotation	Broussonetine T
Peak:m/z	Relative Intensity
55.01871	1.7
56.05030	2.3
57.03426	6.5
57.91692	0.8
58.02947	1.3
59.11346	0.8
60.04528	52.0
67.05490	1.9
69.07050	1.5
71.04985	2.3
71.81793	0.8
75.87843	0.9
79.05484	5.8
80.05006	2.1
81.03368	1.9
81.07054	4.3
83.04973	1.0
83.08621	1.9
85.02855	1.9
85.06514	2.1
87.67933	1.0
91.05467	1.5
93.07020	4.8
95.08605	9.3
96.08119	4.1
97.06529	2.1
98.06024	1.3
102.05513	1.5
105.07010	2.1
107.04925	1.1
107.08568	4.1
109.10146	1.2
111.08030	0.9
113.05967	1.4
119.08576	1.7
121.10155	1.1
124.07586	5.0
125.06047	1.1
126.67862	1.1
129.07016	1.2
133.10146	1.6
135.08022	1.6
135.11691	1.3
139.11172	6.5
142.08630	26.2
147.11659	1.9
151.11192	4.0
156.10179	1.3
160.09685	11.0
169.12215	10.0
178.10718	1.5
274.86084	1.2
306.20572	2.0
324.21713	5.1
342.22787	2.0
360.23752	15.2
378.24838	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	378.3002
Annotation	Madangolide
Peak:m/z	Relative Intensity
52.40648	0.3
53.47139	0.3
55.05523	0.8
57.07080	0.6
58.86636	0.3
62.43683	0.3
63.42433	0.4
67.05520	0.9
69.07072	2.9
70.06605	3.0
71.04990	0.4
71.08630	7.3
73.66526	0.4
79.05482	0.4
81.07059	3.8
83.08597	1.6
85.06564	0.4
86.06070	2.3
86.31024	0.3
88.07631	100.0
89.73011	0.4
93.07051	2.5
95.08597	4.1
97.06539	0.6
97.10181	0.5
99.08111	2.9
105.07048	0.8
107.08614	2.0
109.06520	2.4
109.10174	2.5
112.29170	0.5
114.05534	2.8
119.08591	1.5
121.10133	0.9
123.08109	0.4
123.11658	0.6
125.20612	0.4
133.10133	0.6
135.11732	0.7
147.11661	0.7
149.13300	0.5
151.11237	0.5
151.14748	0.4
156.10188	1.6
165.12738	10.6
165.14011	0.6
170.11717	0.7
175.14845	0.9
179.14317	0.6
184.13388	0.8
193.15952	0.6
198.14870	0.7
210.14969	0.4
224.16409	0.6
235.16891	1.4
254.17618	0.4
280.22717	5.1
280.69308	0.4
291.23169	9.2
360.29004	0.4
378.30008	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28396	0.6
56.05037	1.3
57.07076	2.9
58.06610	6.0
67.79984	0.7
70.06578	1.1
71.08614	1.0
72.08134	1.4
78.08736	0.7
80.93922	0.6
86.06056	3.9
87.04467	1.5
92.17838	0.8
100.07612	3.0
104.64350	0.8
108.42011	0.8
112.07586	0.8
118.08643	4.0
119.97221	0.7
130.08635	1.2
132.10196	31.2
148.09668	3.8
151.16032	0.7
176.27756	0.7
206.13911	2.9
210.13367	0.9
286.27390	70.0
294.84763	0.9
360.31052	2.6
378.32132	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	378.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61306	0.3
53.85783	0.4
53.96051	0.4
55.05514	2.1
55.14196	0.4
61.58302	0.4
67.05510	1.0
69.07069	6.2
71.04986	0.5
71.08633	34.1
77.82748	0.5
79.05479	0.7
81.07058	5.9
83.08613	2.2
88.11269	100.0
93.07037	3.8
95.08600	5.3
97.06535	2.4
97.10142	1.1
99.08105	5.1
105.06981	0.9
107.08588	3.0
109.06525	2.3
109.10149	3.2
109.71728	0.5
110.69942	0.5
119.08585	1.9
121.10149	0.9
123.11742	0.9
133.10155	0.6
135.11723	2.8
147.11739	0.7
151.11205	0.6
153.12755	0.7
156.13805	0.7
159.11646	0.7
165.12720	7.6
170.15443	1.0
175.14914	0.9
179.14407	0.8
184.16951	0.9
185.13208	0.5
198.18561	2.1
199.14885	0.5
210.18481	0.9
212.19986	0.8
220.66383	0.5
224.20126	0.8
233.31215	0.4
235.16930	1.2
239.24039	0.5
247.83144	0.5
248.14532	0.5
254.21025	0.8
280.26398	5.9
291.23221	7.0
294.71082	0.5
360.32654	0.8
378.33643	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82355	0.7
53.19820	0.7
56.13206	0.8
92.18477	0.9
98.97578	8.3
99.39638	0.8
103.40409	0.7
118.08600	0.9
134.39563	0.8
150.54884	0.9
158.99628	3.2
161.01215	3.7
171.92628	0.9
172.94295	6.6
173.01285	1.1
179.02258	3.2
182.05768	4.8
190.95386	1.5
196.94325	25.8
210.95856	11.1
214.95381	48.3
214.97501	1.6
221.03259	7.8
222.95888	5.9
228.96950	26.6
232.96425	24.8
239.04375	15.3
240.96935	9.6
246.98001	17.1
250.97589	0.8
252.96991	1.6
256.96451	7.6
258.98007	14.3
264.99112	1.4
270.97943	10.1
274.97482	2.0
276.99066	5.5
281.06567	10.5
288.99072	3.7
319.00128	100.0
337.01175	25.9
343.08917	1.0
369.35690	0.9
379.02237	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	379.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30517	4.1
60.41298	4.3
77.99081	5.5
95.12926	5.9
102.76376	5.3
113.21066	5.7
116.54067	4.7
124.12834	4.9
173.65120	5.4
282.92209	5.5
296.47894	5.3
322.96149	5.2
346.40955	5.4
379.07788	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	379.079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95711	3.6
64.44737	3.7
64.78912	3.8
67.84699	3.6
111.82027	3.7
144.07994	3.9
216.58046	3.7
226.77853	3.6
267.94427	4.0
379.07629	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	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83220	1.0
71.04984	1.1
98.83664	0.8
111.18362	1.1
127.03890	1.6
128.41115	0.9
166.34418	0.9
185.77417	0.9
226.38464	1.1
234.99017	4.8
272.73599	1.0
294.77859	1.0
361.13943	1.4
379.09985	100.0
379.14816	5.6
400.10028	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	379.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03491	0.7
85.02865	0.9
86.44122	0.6
89.57957	0.7
123.04433	2.7
174.74698	0.8
181.08551	2.8
182.08936	3.1
200.10075	0.9
202.55048	0.8
203.07915	1.1
204.08784	10.1
216.08795	100.0
217.09592	2.9
218.10428	6.4
229.09662	1.2
230.10393	11.8
240.08791	23.6
241.09644	0.9
242.10384	8.4
244.08226	6.6
245.06725	1.4
246.09871	15.7
254.07718	0.7
258.09821	11.8
268.08286	1.3
283.09409	3.6
286.09348	37.8
293.43423	0.7
315.11984	0.9
333.13016	0.9
347.10974	2.9
361.12515	4.0
379.13580	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2116
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
51.38137	1.1
62.69067	1.4
67.05498	1.5
70.73331	1.2
71.04993	1.2
81.07066	2.7
91.05452	1.4
92.18447	1.5
93.07018	6.4
95.08601	2.1
97.06537	1.6
101.06028	1.8
105.07027	2.6
107.08581	4.5
109.06542	2.0
111.04428	7.1
117.06985	2.0
117.95892	1.1
119.08566	6.2
121.06487	5.8
123.08098	1.9
129.06976	2.1
131.08556	9.2
133.10086	2.5
135.08057	5.6
135.11710	1.4
137.05983	2.7
143.08601	2.2
145.06424	1.6
145.10110	9.1
147.08031	2.7
147.11653	2.4
155.08537	2.8
157.10004	4.4
159.08075	8.1
159.11705	13.1
161.09616	2.9
161.13277	1.3
163.11143	1.6
169.10141	8.3
171.08046	2.2
171.11589	1.4
173.09592	13.3
173.13235	6.0
175.11162	2.6
181.10124	2.1
183.10188	4.1
183.11725	1.6
185.09714	1.5
185.13336	1.4
187.11156	22.9
189.09064	5.1
191.10712	4.2
195.11662	2.0
197.13287	5.5
205.12222	6.0
211.11153	1.3
211.14830	1.3
215.14296	27.1
225.12804	1.6
231.76042	1.3
233.15247	11.3
237.12680	1.8
239.14185	1.7
247.14932	1.5
257.15399	1.6
265.15833	7.2
267.17459	2.2
269.15503	1.4
285.15012	2.0
285.18195	1.5
289.15735	1.4
303.16077	5.1
307.16849	5.2
325.18085	7.2
343.18961	11.8
361.20099	22.0
379.21164	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	379.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22514	0.9
55.05512	12.0
57.07087	1.8
59.95068	1.0
67.05510	14.5
67.26256	1.2
69.07072	18.9
71.57649	1.2
79.05496	4.7
81.07060	20.6
83.08620	12.7
85.06533	1.6
91.05495	1.6
93.07034	7.7
94.41551	1.2
95.08607	22.7
95.86841	1.1
97.06457	1.5
97.10165	9.5
99.08082	1.6
105.07021	2.5
107.08598	6.8
107.13368	1.3
109.10139	10.8
111.11707	2.8
114.66873	1.3
119.08549	1.9
121.10132	7.6
123.04485	1.2
123.11680	4.9
127.03915	90.1
133.10152	2.4
135.11690	9.3
137.13281	2.0
139.03893	20.9
139.11169	1.8
147.11703	2.3
149.13353	1.8
153.01828	100.0
154.21811	1.2
155.03423	1.5
161.13229	1.8
165.05481	2.8
167.65498	1.4
175.62949	1.3
181.04961	7.5
217.19604	7.3
231.85191	1.3
234.87785	1.2
235.20578	6.9
253.21628	11.5
264.77081	1.3
361.23721	2.2
379.20111	1.8
379.24789	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2841
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.05505	6.6
57.03419	5.4
67.05508	76.8
67.23778	2.7
69.07063	7.8
71.04984	4.7
79.05500	27.1
81.07059	70.2
83.08614	7.1
85.06525	6.6
91.05470	16.4
92.18271	20.6
93.07036	38.7
95.08610	52.3
97.06519	4.5
105.07027	14.3
107.08591	25.3
109.10158	35.0
112.14157	2.9
114.90425	3.1
119.08572	21.5
121.01172	3.2
121.10147	37.2
123.11688	36.3
129.05505	6.7
131.08560	18.1
133.10129	28.2
135.11684	27.8
137.13196	3.4
138.23119	3.1
144.81071	3.1
145.10136	23.8
147.11687	22.6
149.09636	10.8
149.13275	14.2
159.11662	3.5
161.13242	7.0
163.11140	5.1
163.14767	4.0
164.20219	3.4
171.11670	4.4
173.13246	12.1
175.14752	6.6
185.13252	11.4
187.14706	4.8
189.16388	4.9
191.83788	3.5
203.17931	13.0
245.22650	6.5
252.77988	3.0
269.22650	30.5
287.23615	50.0
356.43738	3.6
361.27460	13.0
379.28363	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	379.2841
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
50.24946	1.1
53.09128	0.9
55.01864	1.0
55.05502	4.7
56.60410	0.9
57.03431	5.4
57.07065	5.3
61.71837	0.9
63.25221	1.3
65.03953	1.2
67.05172	2.3
67.05506	47.3
69.07064	13.4
71.04990	4.8
71.08618	1.4
79.05490	17.0
81.07058	61.8
83.08623	2.6
85.06530	6.0
91.05469	16.4
92.17921	1.6
93.06494	2.0
93.07043	31.5
95.08605	38.9
95.09203	1.7
97.06510	5.1
97.10151	2.5
105.07021	12.7
107.08591	20.7
108.19229	1.1
109.06503	2.5
109.10156	28.6
111.08057	1.7
117.07017	5.0
119.08585	18.1
121.10146	31.9
123.11690	30.3
129.05463	2.2
129.06975	2.3
131.08563	11.2
133.10130	22.4
135.08029	6.3
135.10782	1.7
135.11690	21.0
137.13298	8.4
139.07524	1.6
143.08582	2.2
145.10130	15.7
147.11662	17.6
149.09637	5.3
149.13257	13.2
151.11180	2.4
153.12822	1.2
157.10124	5.2
159.11664	10.5
161.13234	10.6
163.11153	7.3
163.14822	7.4
165.09087	2.5
165.12694	7.8
171.11707	10.2
173.13245	9.9
175.11139	1.5
175.14806	6.9
177.12730	11.1
177.16370	1.8
179.14261	2.0
181.15948	1.5
185.13275	13.9
187.14813	8.7
189.12718	2.4
189.16362	9.3
191.14355	5.4
191.17874	1.5
199.14711	4.2
201.16357	4.6
203.14224	2.0
203.17975	13.7
205.15727	2.5
209.15367	1.8
213.16252	2.2
215.18227	1.4
227.18015	1.7
227.68721	1.4
231.98698	1.3
233.18706	1.3
243.21053	1.8
245.22650	2.4
269.22644	34.1
287.20547	1.9
287.23676	53.0
305.24872	2.8
347.25717	13.5
361.27325	5.8
379.28400	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	379.2843
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
52.58921	1.9
54.72268	1.8
55.01873	4.9
55.05501	2.8
55.71995	1.7
56.27787	1.7
57.03432	3.4
57.07079	4.2
67.05510	23.9
68.20509	1.8
69.07055	8.1
71.04970	8.5
71.08605	2.4
71.63065	1.7
79.05475	8.3
81.07065	22.8
82.93529	1.8
83.08609	3.2
85.06511	3.3
87.04435	2.1
89.98488	2.3
91.05486	16.2
93.07043	15.1
95.08601	19.3
97.06544	2.1
99.04434	3.8
105.07029	8.9
107.08591	10.4
107.99224	1.8
109.10104	2.8
117.06969	9.3
119.08559	22.9
121.10146	21.1
123.11739	2.6
129.05511	24.8
129.07008	3.3
131.08540	10.9
133.10110	27.7
135.08047	2.5
135.11676	10.0
143.08571	2.7
145.10091	12.7
147.11693	27.8
149.09608	3.4
149.13258	2.0
157.10095	4.4
159.11665	9.3
161.09631	2.1
161.13242	11.8
163.14854	2.5
171.11656	16.4
175.11212	3.3
175.14821	4.7
185.13214	17.0
189.12709	10.2
195.91685	2.0
199.14879	6.6
201.16628	2.5
203.14473	2.1
203.17949	9.8
243.21045	3.5
245.22650	18.6
269.22504	20.7
287.23688	48.6
299.60739	2.2
305.24734	2.8
361.27267	3.6
379.28406	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	379.2842
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.05512	3.8
57.03434	5.0
62.56145	2.2
62.94870	2.6
67.05506	63.4
69.07053	15.2
71.04994	3.5
75.89677	2.8
79.05495	25.8
79.45209	2.7
81.07058	76.7
83.08630	3.1
85.06539	5.2
87.35680	2.4
91.05477	20.1
93.07040	41.3
93.09571	2.5
95.08605	51.8
97.06493	5.8
97.10106	3.0
105.07024	14.0
107.08601	31.2
108.23826	2.7
109.10162	28.5
113.00001	6.5
117.06992	4.2
119.08585	24.4
121.10124	47.4
123.11699	28.1
129.05487	3.9
131.08557	18.4
133.10129	31.4
135.11707	27.2
137.13219	5.5
145.10133	14.9
147.11649	18.6
149.13239	14.0
151.11163	3.9
157.10107	3.3
159.11722	9.6
161.13255	11.3
163.11142	3.8
169.02574	14.9
171.11641	5.2
173.13281	10.8
175.14828	3.1
177.12646	2.4
185.13260	11.0
187.14896	5.9
189.16412	4.2
191.14389	3.7
199.14835	5.6
201.16283	3.0
203.17970	15.5
213.16548	3.1
245.22513	5.9
269.22656	29.7
287.23672	41.9
305.24719	3.3
351.61105	2.9
361.27438	5.8
379.28391	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	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.2
55.38850	1.6
60.04524	10.2
67.05492	8.0
69.03432	3.4
69.07043	2.0
71.05001	2.1
74.28234	1.8
79.05489	12.5
81.03426	2.3
81.07053	22.1
81.51589	2.1
85.02911	9.4
85.06525	3.6
91.05480	4.4
93.07039	12.4
95.08604	7.7
97.06497	2.6
107.04956	3.1
107.08601	3.4
109.06528	54.8
109.10155	100.0
111.48530	1.8
119.08589	46.1
123.08074	7.4
124.03959	3.0
127.07543	19.3
129.07074	2.4
135.11736	2.3
137.09612	70.5
142.08693	2.5
147.08054	7.8
152.07704	2.0
152.19681	1.9
165.09103	66.9
183.07693	2.6
183.10158	98.8
188.71953	1.7
201.11220	62.4
210.02985	2.1
358.54333	2.0
380.18759	3.0
380.21866	5.6
380.26151	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17925	1.6
53.90319	1.7
57.17580	1.7
67.05515	4.7
69.03423	13.0
71.04964	2.8
76.90681	1.8
81.03410	12.2
81.07034	3.3
85.02911	8.8
91.05473	2.0
93.07033	13.4
95.08605	50.6
97.02872	7.4
99.04449	4.1
109.02891	13.7
109.09438	2.9
109.10150	35.6
119.08562	28.2
126.73351	2.3
127.03926	16.3
137.09613	100.0
155.10680	24.6
165.09097	36.4
183.10161	27.6
201.11203	52.6
269.72183	2.2
269.75305	2.0
291.12427	2.4
309.13287	35.8
327.14236	17.7
345.15427	3.4
347.42911	2.1
398.77673	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.9
62.06418	1.5
67.05492	3.5
69.03419	7.7
71.60297	1.6
85.02903	13.1
90.37189	1.8
91.05457	2.7
93.07029	10.0
95.08607	51.9
95.17748	1.6
97.02891	2.2
99.04433	4.1
105.04478	1.6
109.10149	22.8
119.08572	26.0
123.11736	2.5
124.71821	1.7
137.09613	100.0
143.54309	1.8
147.11649	3.5
155.10658	36.0
165.09085	38.5
165.12698	3.2
170.84467	1.6
180.08690	6.4
183.10149	44.9
183.13771	2.0
201.11214	94.0
201.14874	7.0
380.10498	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	380.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57845	2.0
58.98168	2.1
60.04528	40.5
67.05486	10.0
69.07066	4.5
73.06493	2.3
79.05501	4.7
80.88453	2.4
81.03423	3.8
81.07037	6.1
85.06548	3.7
87.14736	2.2
93.07028	4.7
95.08581	2.7
97.06509	4.6
104.89088	2.4
107.08585	5.8
109.10161	4.3
119.08568	3.2
120.08006	2.6
120.53964	2.3
124.03953	5.6
135.11664	17.4
142.08640	5.6
153.12735	3.7
156.26715	2.8
159.04755	2.9
160.09721	3.9
167.26111	2.5
171.13829	4.1
258.31616	2.4
268.08191	4.2
308.22260	3.9
380.26376	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	380.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
55.84294	0.6
56.05028	0.9
57.03425	3.0
60.04529	49.1
67.05507	7.0
69.03429	0.6
69.07058	4.7
69.47722	0.5
70.06542	0.6
71.04694	0.6
71.04993	8.2
74.06058	0.6
79.05495	8.9
80.04995	1.4
81.03413	1.3
81.07062	7.2
82.06574	0.6
83.04978	1.2
83.08613	1.0
85.02879	0.6
85.06532	3.4
88.22918	0.5
90.39970	0.5
91.05450	1.2
92.17790	0.6
93.07035	10.5
95.08597	5.6
96.08102	0.8
97.06518	4.6
99.04421	0.6
102.05515	1.4
105.07026	1.0
107.04903	2.3
107.08594	8.1
109.06519	1.1
109.10173	7.4
110.06001	0.7
111.08062	1.0
112.07574	1.2
116.07090	0.9
119.08549	2.3
121.06561	0.9
121.10083	0.9
124.07549	1.3
127.07541	0.6
133.10088	2.1
135.11684	24.9
136.06160	0.6
138.09134	1.0
142.08638	8.4
143.08665	0.7
145.10071	1.1
147.11688	0.8
149.13318	0.7
153.12717	5.2
156.10159	2.6
157.10188	0.6
160.09705	1.3
161.09782	0.6
164.10660	0.5
165.09087	1.0
171.13780	2.8
183.10146	0.8
290.21106	0.7
308.22162	2.1
326.23221	1.1
344.24423	4.3
362.25354	8.6
380.26382	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	380.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45539	0.8
56.05057	1.0
60.04528	100.0
67.05494	6.5
69.07059	5.0
71.04979	4.6
72.04504	4.4
79.05486	5.6
81.03397	2.4
81.06628	0.9
81.07056	7.3
82.06548	1.6
83.08592	4.9
85.02879	1.2
85.06546	2.3
86.63602	1.0
91.05470	5.1
93.07040	14.3
95.08597	6.3
97.06535	1.1
102.05528	1.2
105.07041	1.1
105.32546	1.3
107.08599	4.0
109.06501	1.4
109.10110	1.5
111.08107	10.1
116.07066	1.5
117.06974	1.4
119.08562	4.6
121.10185	8.0
129.09076	1.4
131.08594	4.3
133.06529	1.2
133.10132	4.6
135.11710	1.7
139.03894	4.2
139.11018	1.1
145.10092	2.4
147.11684	4.2
151.03877	7.3
165.12709	1.7
183.13794	4.5
216.15958	4.3
230.24741	1.0
308.22272	2.4
319.08157	8.9
326.23352	4.8
344.24277	21.0
362.25330	88.9
380.26437	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	381.0266
Annotation	Flufenpyr
Peak:m/z	Relative Intensity
56.94322	1.1
57.35013	1.1
57.83541	0.9
58.70387	1.1
60.27563	1.1
60.39060	1.2
71.04964	1.3
72.93783	2.1
73.08460	1.0
73.62844	1.1
76.56118	1.0
85.07634	1.7
90.94762	1.1
91.05474	2.5
97.02883	2.9
111.71484	1.1
119.04944	12.0
121.10136	1.3
128.96333	1.3
130.06531	4.4
132.95824	6.1
140.96333	1.5
144.95815	5.8
145.50639	1.3
146.97350	1.9
147.04401	100.0
152.96317	10.8
158.97394	14.4
162.96869	1.5
168.95827	2.7
170.97388	2.6
176.98485	1.6
178.97949	1.4
185.81252	1.4
186.96857	2.4
189.05481	4.9
192.99393	1.6
198.96965	1.4
202.97932	6.0
206.76888	1.4
216.97968	5.7
218.97356	12.0
220.99019	5.8
234.98961	20.1
236.98454	7.1
246.96928	5.2
260.98441	16.1
264.97925	2.1
271.00485	6.6
272.98462	8.2
278.99527	4.9
286.99973	7.8
290.99374	2.0
314.99478	2.9
321.00616	4.8
333.00485	1.8
345.00626	2.1
363.01544	19.4
381.02609	50.8
381.11008	2.0
381.26746	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55780	0.7
56.71657	0.8
61.26679	0.9
73.42722	0.8
74.79749	0.9
93.10143	0.9
159.37112	0.9
182.55357	0.9
246.67316	0.9
381.07925	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65565	0.9
67.46219	0.9
92.33616	0.9
106.03291	1.2
164.94356	1.3
381.07904	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51206	0.9
76.20406	1.2
133.81241	1.1
160.26422	1.0
171.35670	1.0
190.46214	1.1
240.88367	1.0
381.07907	100.0
382.89520	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97622	1.5
62.59947	1.6
69.93255	1.8
94.59922	1.9
102.17717	2.3
108.36441	2.0
125.60088	2.0
176.17171	1.9
381.07889	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	381.0947
Annotation	U-0126
Peak:m/z	Relative Intensity
51.92982	7.1
56.70178	7.8
80.17388	7.2
85.72022	6.6
234.02551	9.0
276.68384	8.1
278.25308	7.3
312.70554	7.6
321.56955	8.5
381.09381	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	381.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17939	1.0
54.88902	1.1
69.97099	1.4
97.06499	1.5
112.01582	1.3
140.07056	8.9
147.04410	5.3
150.05481	6.8
150.58878	1.3
152.03362	1.6
152.07053	1.3
160.03908	4.9
168.06526	14.9
178.04982	29.4
186.07530	1.3
196.06033	27.1
206.04491	1.5
225.10217	2.0
227.07986	1.7
238.08665	5.3
239.08179	4.9
240.06483	3.2
242.08044	2.0
253.09694	5.7
254.08133	6.1
256.09674	9.4
258.07645	5.6
267.07617	2.1
268.05994	33.5
268.08356	2.0
272.09174	2.4
281.09207	11.4
282.07657	12.2
283.10776	2.5
284.09219	5.7
285.08591	9.0
286.07056	5.3
297.62582	1.3
299.10187	11.5
300.08673	6.7
301.11679	2.2
309.08609	14.1
310.07034	30.8
317.11115	3.0
319.12927	2.4
327.09726	39.8
328.08151	29.1
345.10754	100.0
346.09070	16.2
360.59686	2.4
363.11847	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	0.7
60.79847	0.6
83.15135	0.6
90.38200	0.6
109.10145	1.0
110.10476	1.1
113.63940	0.6
137.09615	1.2
183.10159	1.0
184.10446	2.3
251.11227	0.6
381.15201	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	381.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24094	0.8
85.02932	1.0
91.85028	0.9
95.08589	0.9
153.05432	1.5
153.35527	0.8
195.36082	0.8
219.10135	1.6
381.11472	4.0
381.15195	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	381.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19484	1.0
58.61312	0.8
61.08055	1.1
62.43825	0.8
74.34634	0.9
79.05508	1.0
85.02879	1.4
91.05459	1.9
93.06998	1.1
95.04934	1.3
105.06992	1.5
107.04967	1.3
117.06995	1.5
119.08566	1.4
122.03652	2.1
123.04403	4.5
128.06079	1.0
131.08580	1.4
132.05661	1.0
135.04385	12.7
137.05969	100.0
143.08557	1.3
145.06488	1.7
151.07535	6.0
159.08125	1.1
160.05183	1.1
161.05894	1.1
163.07565	1.5
175.07524	81.0
182.16522	1.2
187.07506	2.3
189.09081	17.2
196.08673	1.2
199.07524	2.0
199.11194	1.2
200.08327	1.3
201.09076	7.6
212.08333	5.5
213.09058	7.1
214.09911	4.2
215.10739	2.1
224.08344	1.7
225.09073	4.1
227.10622	14.2
229.12256	1.3
239.10704	10.1
257.11700	12.4
258.04605	1.1
263.10718	1.1
286.68381	1.0
292.66187	1.1
321.14786	2.1
330.94858	1.2
331.13232	1.2
338.53714	1.1
349.14325	8.2
363.15845	8.3
381.16922	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	381.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28296	1.2
72.47874	1.2
82.46868	1.2
89.01847	1.4
131.93738	1.2
135.24467	1.3
163.64647	1.3
190.36729	1.7
191.14227	1.5
210.92845	1.5
219.11662	2.4
231.11693	2.7
237.12920	1.5
246.13820	1.8
261.16367	5.2
279.17502	7.4
283.68796	1.4
306.09940	1.3
321.18176	20.1
374.49948	1.4
381.20361	100.0
398.98105	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	381.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65737	2.4
59.26883	2.5
59.96922	2.5
60.01329	2.5
67.05502	3.0
91.05513	3.3
95.08591	11.7
105.07012	4.0
107.08521	2.6
109.10139	3.6
119.08575	6.3
123.08075	11.8
131.08583	4.5
133.10039	2.9
143.08543	5.6
145.10011	3.2
155.08548	5.9
157.10094	4.6
159.27286	2.8
167.08617	3.2
169.10107	12.1
173.09642	2.9
179.08600	3.3
181.10109	10.0
183.11691	6.5
187.11182	5.7
192.09380	3.8
193.10136	10.7
194.10826	2.5
195.11703	16.2
203.08476	3.3
204.09335	5.9
205.10088	5.6
206.10907	11.3
207.11560	8.1
209.09593	11.0
209.13258	21.9
211.11151	3.4
216.09256	3.3
217.10123	13.4
218.11032	4.9
219.11615	21.8
220.12529	10.0
221.13310	12.4
222.10455	4.9
222.13921	4.8
223.11220	16.5
231.11642	51.2
232.12524	13.9
233.13243	4.2
235.14810	15.1
236.12006	10.2
236.15543	3.9
237.12776	22.2
237.16478	3.8
245.13161	4.3
246.14021	47.1
249.12787	10.3
250.13536	4.4
251.14172	3.3
251.17928	17.6
261.16376	85.5
261.18976	4.8
263.14420	4.7
264.15097	14.1
279.17404	100.0
297.18329	4.1
321.18488	37.3
339.19568	61.5
381.20599	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91721	3.4
57.03412	4.9
67.05511	6.0
69.03430	47.4
69.07065	8.2
73.02933	4.8
81.03405	17.6
81.07053	25.0
83.75054	3.6
85.02900	43.0
88.86371	3.9
91.05495	6.3
92.53165	4.5
93.07036	44.5
95.04977	5.3
95.08589	61.4
97.02885	40.1
99.04453	4.4
105.07040	68.1
107.08592	45.3
109.02883	6.5
109.10139	27.7
115.25807	3.9
115.96918	4.0
119.08569	36.2
121.10135	36.3
123.08089	4.6
127.03889	10.4
130.94112	4.4
131.08542	22.6
133.10132	26.9
143.08652	5.6
145.04906	5.6
145.10130	74.3
147.11647	48.0
149.13216	47.0
157.10117	7.3
159.11693	52.6
161.13231	17.0
173.13290	19.3
175.14815	9.7
191.17938	4.9
201.16377	100.0
203.17967	28.7
206.90656	4.8
209.32292	4.4
219.17412	52.6
274.29840	4.1
288.59027	4.6
363.21561	5.7
381.22791	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61184	1.1
53.03956	1.2
60.13942	1.4
61.02929	2.8
69.03436	10.7
73.02901	1.2
76.88435	1.1
79.05486	1.2
81.03407	5.8
81.07056	10.2
85.02902	31.1
87.04495	1.7
92.18494	1.6
93.07053	2.3
95.08601	7.8
95.15141	1.3
97.02902	12.7
99.04451	2.1
105.07031	16.6
107.08577	5.6
109.02864	3.0
109.10133	3.3
119.08552	8.2
121.10130	1.8
127.03918	7.5
131.08546	7.2
133.10161	4.4
135.27187	1.4
145.05002	2.6
145.10126	31.1
147.11600	1.7
157.10127	6.1
159.11681	49.4
161.13242	22.4
163.14764	2.0
171.11584	1.4
173.13258	12.8
201.16380	100.0
203.17921	5.2
219.17433	48.2
232.94295	1.4
348.26978	1.3
349.73398	1.5
350.54922	1.3
363.21362	1.6
381.22604	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
54.00609	3.0
55.05511	5.3
57.03428	4.7
67.05492	23.6
69.03429	33.6
69.07060	8.2
71.04981	4.7
79.05495	15.2
81.03415	9.1
81.07060	86.5
82.64520	4.0
85.02902	59.6
91.03928	4.2
91.05462	17.4
93.07043	63.3
95.08603	53.5
97.02893	25.1
97.06525	5.4
105.07034	57.0
107.08586	99.6
109.02858	4.9
109.06495	8.0
109.10144	33.3
114.99705	4.3
117.07020	7.7
119.08570	46.4
119.41921	3.9
121.10153	57.3
123.11674	7.5
127.03889	21.4
130.07719	3.8
131.08546	34.6
133.10123	30.7
135.11647	6.9
137.05984	21.4
143.08617	3.9
144.56335	3.7
145.04906	5.0
145.10127	100.0
147.08116	4.1
147.11678	24.2
157.10109	4.5
159.11694	72.2
161.05968	5.5
161.13263	31.2
171.11705	5.3
173.13266	18.5
175.07538	18.1
175.14818	8.8
201.16370	82.6
203.17915	5.5
213.16199	4.7
219.17383	46.1
249.14253	3.7
335.05096	4.2
363.21671	5.4
381.18390	3.7
381.22842	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2635
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
51.51871	1.6
55.05515	9.1
57.03416	1.5
57.07064	10.5
67.05490	8.9
69.07075	19.2
71.08627	7.7
76.42297	1.7
79.05468	3.9
81.07050	11.6
83.08611	18.1
91.05531	1.5
93.07043	3.9
95.08604	10.1
97.06538	3.4
97.10159	11.5
107.08569	9.3
109.10153	7.3
111.08080	3.2
121.10128	9.7
121.22437	1.5
127.03905	100.0
135.11714	7.4
139.03888	24.1
139.11179	3.6
141.93912	1.7
149.13275	4.2
153.01819	97.6
155.03352	6.9
163.14796	1.7
165.05528	2.2
181.05022	3.5
218.25674	1.7
219.21054	7.6
237.22108	12.3
255.23131	3.7
315.61060	1.8
363.25272	3.3
381.26242	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	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	24.8
72.17467	10.7
81.07036	47.9
85.06538	13.6
93.07040	14.4
95.08610	47.9
104.51810	10.5
107.08584	17.0
119.08559	12.8
121.10139	25.7
131.08545	19.3
133.10117	20.4
143.57735	11.1
145.10143	25.1
147.11717	20.8
229.80141	10.5
243.87863	10.0
250.86186	9.4
271.24194	71.5
289.25357	100.0
344.71454	10.3
381.29950	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	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95828	1.8
55.01866	2.9
55.05514	16.9
57.03437	15.4
57.07077	25.5
57.07515	1.8
57.63186	2.3
67.05177	2.7
67.05508	73.6
69.07073	29.2
71.04982	11.1
71.08611	10.8
75.04400	2.1
79.05490	34.4
81.07056	88.7
82.35957	1.9
83.04980	2.1
83.08607	15.7
85.06559	16.4
85.10162	4.0
85.31298	2.0
88.10191	2.0
91.05465	24.2
92.18096	5.2
93.07038	50.2
95.08602	84.4
97.06527	10.2
97.10152	11.7
99.04475	3.3
99.08088	3.1
105.07024	24.4
107.08578	44.6
109.10145	41.8
111.08107	3.4
117.07011	14.2
119.08571	25.2
121.10129	70.2
123.11706	17.6
129.05481	15.6
131.08551	38.5
133.10141	28.1
135.08031	3.3
135.11681	47.9
137.09642	3.3
137.13245	11.0
145.10127	36.6
147.11674	14.5
149.09589	5.1
149.13235	17.4
151.11179	3.1
151.91931	2.0
159.11731	19.1
161.13239	12.0
163.11191	10.3
163.14801	12.8
173.13249	30.9
175.14832	11.0
177.16393	8.5
187.14787	16.5
189.16347	17.9
191.18027	2.7
201.16394	3.8
205.19547	11.7
207.71635	2.4
210.77318	2.4
229.19377	3.4
247.24098	4.7
261.21942	2.7
261.25818	3.0
271.24179	86.8
289.25214	100.0
307.26266	4.1
363.28937	24.5
381.29889	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.2
57.07070	16.7
67.05495	68.4
69.50432	12.2
74.44964	12.7
79.05476	24.0
81.07057	90.2
83.08585	17.5
91.05500	18.2
93.07025	59.6
94.25385	14.6
94.61317	12.6
95.08642	100.0
95.55771	12.0
105.06986	34.0
109.10143	26.0
121.10114	74.0
131.08525	13.9
133.10100	21.7
135.11728	57.4
145.10121	35.0
147.11650	20.5
149.09554	18.7
149.13248	16.2
173.13284	21.8
226.90779	15.8
271.24191	73.1
289.25232	89.4
363.29001	20.6
381.31241	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	382.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29480	2.2
63.98802	2.2
67.51780	2.2
91.06010	2.9
99.08102	5.2
107.23882	2.8
121.13184	2.4
150.08052	2.6
169.06314	2.5
180.75775	2.7
190.59206	2.7
276.10190	3.2
278.11981	3.2
279.08359	4.4
290.11902	3.3
291.12543	6.3
302.11850	5.5
304.13342	5.6
307.07782	6.3
308.08594	18.9
316.13312	12.5
317.14029	16.7
322.12665	3.8
323.11053	5.7
324.10553	5.5
335.09653	13.7
350.12091	75.2
382.14703	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	382.1707
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.83679	0.9
59.05009	1.2
60.04515	4.6
61.05207	0.9
64.95882	0.9
65.76551	0.8
69.03421	3.7
69.07051	1.8
69.25372	1.0
71.05000	1.4
72.04511	6.1
74.02026	0.9
81.03421	2.3
82.20676	0.9
83.04969	1.1
85.02914	7.6
85.06525	5.1
86.09721	2.0
87.08074	1.0
90.05553	71.4
90.76957	0.9
92.17842	1.3
95.04965	2.2
97.02901	2.1
98.02395	4.9
103.07570	7.4
106.02896	6.5
109.02873	1.4
109.06547	1.0
113.05988	1.2
115.03909	1.6
116.03473	6.5
122.88022	0.9
123.98574	0.9
124.03938	12.7
124.07573	4.8
124.14156	1.0
126.98481	0.9
127.03849	1.8
128.88519	1.0
134.44302	0.9
136.07594	1.1
142.08595	4.3
156.10216	1.3
184.09698	14.0
194.22969	0.9
202.10738	29.3
220.06114	1.5
220.11794	100.0
232.11826	1.1
250.07158	1.7
250.12885	16.1
268.08105	4.9
328.59280	1.0
364.26736	1.2
382.11169	5.6
382.17926	3.1
382.27957	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	382.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97293	2.5
74.17197	2.5
102.14848	2.9
103.05469	7.1
120.97158	2.5
131.04918	100.0
137.05991	43.4
147.03365	4.6
147.04395	36.5
147.08073	6.0
149.05981	6.6
151.07529	5.5
162.06770	11.3
163.07535	58.2
175.07541	28.8
179.06998	3.5
193.08626	22.0
251.06931	3.0
317.13834	13.0
336.02975	2.8
382.58862	3.3
383.19528	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	382.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25775	0.9
66.28947	0.9
69.53293	1.0
116.56057	1.0
163.08852	1.0
165.48859	0.9
191.06926	1.0
191.08498	1.2
192.20724	1.0
195.08124	1.1
207.08061	1.3
210.06725	1.1
219.08023	11.8
221.05931	5.7
225.09143	10.4
233.09627	1.8
235.07579	6.0
236.08267	3.7
239.10542	1.8
243.10480	1.0
247.07533	14.1
248.08293	1.6
251.10591	9.9
251.52403	1.1
253.08548	15.5
255.10065	1.5
257.11716	1.9
261.08878	1.5
264.07874	5.8
265.08606	5.4
267.10123	4.6
270.08795	6.4
271.09583	3.6
279.10114	24.9
285.11160	45.3
285.14194	1.6
293.11755	1.2
296.10385	5.7
297.11176	4.3
299.12604	1.3
303.12250	39.0
311.12704	23.5
329.13797	100.0
347.14893	24.2
348.19046	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21058	0.8
64.38507	0.7
69.07043	0.8
71.04989	10.9
81.07058	9.9
85.02901	1.8
95.08583	4.7
95.53462	1.0
100.35842	1.0
107.08628	1.3
121.10138	36.9
123.11710	13.0
125.05960	5.5
139.11172	19.3
149.09677	1.8
167.10657	25.2
185.11723	100.0
202.72314	1.0
203.12758	4.1
382.20935	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	383.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73042	2.6
71.04993	2.8
75.14265	3.0
85.02906	3.3
97.20728	3.4
98.97567	3.8
121.10130	14.5
122.10468	13.8
123.11706	3.5
139.11212	3.7
140.11523	3.9
168.10974	5.7
185.11731	31.6
186.12053	34.1
194.90125	3.2
216.01854	2.9
219.01768	3.9
221.11937	2.9
221.15465	5.4
276.72076	3.1
345.70090	3.5
383.10977	100.0
383.16586	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	383.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54012	1.6
54.17180	1.8
54.92862	1.7
55.51948	1.7
55.82261	1.8
56.06281	1.5
95.37078	1.9
110.09770	2.0
131.94849	2.0
151.75223	2.0
209.49078	2.2
233.52379	2.1
237.02625	2.9
350.24451	2.3
383.06818	3.6
383.10910	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	383.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20589	0.6
60.34906	0.6
62.02867	0.6
64.79522	0.5
101.70527	0.6
160.88000	0.7
192.91615	0.6
222.52678	0.8
383.13095	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	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41773	0.6
53.51906	0.7
69.03446	1.0
81.34746	0.7
85.02902	4.0
97.02918	1.1
112.42151	0.9
171.88336	0.9
193.90262	0.8
203.08134	10.0
204.41643	0.8
221.09193	18.5
383.13129	100.0
383.21024	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	383.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53032	0.6
57.32280	0.6
69.03387	0.6
74.84605	0.6
94.28384	0.7
111.11803	0.6
115.31196	0.5
130.06508	1.3
136.07590	0.6
137.05939	0.9
157.07600	4.3
158.05991	1.3
158.97435	0.7
175.08675	6.6
203.08127	5.1
217.09637	1.2
221.09270	1.2
234.98940	2.4
383.13077	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	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.9
61.02910	0.8
64.08997	0.7
69.03418	5.0
71.04971	1.2
71.29544	0.8
73.02908	0.8
81.03414	2.0
85.02913	16.0
87.04475	1.1
97.02893	4.2
99.04440	1.2
99.17589	0.7
105.04508	0.8
105.93671	0.7
108.23475	0.7
109.02892	1.9
126.50844	0.7
127.03894	2.7
132.08116	6.3
132.27972	1.0
143.16423	0.8
160.07587	7.0
177.06607	2.7
203.08147	51.6
220.06946	1.5
221.09213	100.0
323.61792	0.8
383.13629	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	4.0
71.04985	1.1
75.11280	0.8
80.73934	0.7
81.03400	1.2
84.36727	0.8
85.02911	12.6
97.02884	4.8
101.39285	0.8
127.03919	1.0
130.06403	0.9
135.20433	0.8
146.06027	1.7
148.07544	9.3
150.75780	1.0
158.06020	12.0
160.07567	19.7
162.05481	32.2
172.07562	1.1
175.08641	25.1
179.03302	1.0
184.07465	1.1
186.05493	24.0
200.07207	1.1
204.06551	100.0
221.09183	68.4
228.06537	3.9
236.98969	1.0
245.09122	1.6
248.83215	0.9
263.10233	1.5
287.10419	1.7
296.89215	0.9
323.06262	0.9
365.13348	4.8
383.09537	1.4
383.14490	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31333	1.2
60.12132	1.2
69.03425	2.5
73.10047	1.4
81.03390	2.2
84.58541	1.2
85.02915	9.6
97.02860	3.0
99.79862	1.2
102.04599	1.4
102.22195	1.3
130.06528	15.4
132.04475	1.7
137.05956	1.9
138.96400	1.5
144.08096	3.2
145.07588	5.7
148.07516	2.1
157.07631	28.5
158.05977	12.7
159.09167	2.2
172.07581	3.1
175.07144	2.1
175.08655	34.4
183.09149	5.8
185.07098	2.0
188.07130	1.5
199.08641	5.9
200.07005	8.7
203.08142	45.7
209.06914	2.0
215.08006	1.4
217.09717	10.9
221.09152	15.9
225.00732	1.6
227.08054	2.5
231.07410	1.5
245.09084	2.4
263.10202	16.4
347.12595	2.5
348.10736	1.7
365.13303	15.9
383.08871	3.3
383.13464	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	383.1487
Annotation	Octahydroeuclein
Peak:m/z	Relative Intensity
50.46656	0.5
54.05303	0.6
62.03757	0.7
73.93859	0.7
99.31377	0.8
103.05489	2.5
122.03616	1.6
131.04919	20.6
137.05972	100.0
151.03900	0.8
157.06448	0.8
159.08031	1.7
161.05968	39.7
163.07503	7.5
165.05501	0.9
175.07509	5.5
187.07545	15.3
189.05473	1.6
199.07642	0.9
201.05481	1.7
201.09102	4.1
202.06239	1.0
203.06946	1.6
213.09082	0.9
215.07060	0.8
229.08603	1.6
241.08504	0.9
247.09587	5.4
252.17097	0.7
252.33922	0.7
284.08154	0.8
287.10870	0.9
315.10196	3.4
347.12814	5.2
365.09290	1.0
365.13834	28.2
383.14938	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	383.2041
Annotation	His Ile Asn
Peak:m/z	Relative Intensity
51.22474	1.1
70.49908	1.1
77.96929	1.0
83.00449	1.1
95.08572	1.4
133.10046	1.4
145.10201	1.2
151.52788	1.1
234.41808	1.3
313.98248	1.3
317.53958	1.3
327.14047	1.9
383.20370	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	383.2064
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.05508	5.6
55.78164	0.8
57.03461	1.0
57.07080	1.0
57.40033	0.8
61.02917	1.8
67.05505	1.3
67.64385	0.7
69.03437	12.8
69.07065	1.1
70.06234	1.1
70.06591	16.1
71.04983	1.0
81.03403	1.9
81.07062	5.4
83.04981	2.0
83.08604	1.0
85.02907	20.0
87.04480	1.1
91.05500	1.2
92.18433	1.0
93.07034	4.7
95.04949	1.5
95.08588	3.6
97.02895	8.1
98.06054	100.0
99.04476	1.3
105.07028	7.0
106.02955	1.0
107.08583	3.5
109.02893	1.7
109.06508	5.3
109.10130	7.1
111.08055	0.9
119.08573	13.6
121.10133	5.6
124.03947	1.9
127.03889	4.4
131.08517	1.3
133.06477	1.2
133.10107	16.0
135.08073	0.9
135.11685	1.1
137.09601	3.4
143.08533	1.4
145.04985	1.5
145.10112	6.2
147.08047	14.9
147.11729	1.9
149.88133	0.9
156.96577	0.8
157.10150	1.8
159.11688	3.5
161.09578	5.6
161.13263	17.5
163.11185	1.0
164.07033	3.5
165.09138	2.0
170.10847	2.0
173.13257	1.6
175.14803	8.4
185.13242	4.1
187.14850	2.0
191.14343	1.6
198.42674	0.9
203.14311	25.4
205.15852	1.1
207.13799	0.8
221.15369	25.1
221.17485	1.1
268.08157	3.5
365.56070	1.0
383.10245	1.6
383.14441	9.1
383.20636	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	383.2065
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.85581	0.3
53.43009	0.3
56.92289	0.3
64.33906	0.3
69.03424	0.5
69.72235	0.3
76.16286	0.4
76.95482	0.4
81.07056	0.8
91.05436	0.5
93.07038	2.9
95.04964	2.7
95.08588	1.4
97.02803	0.4
97.06514	1.7
105.07058	3.1
105.56862	0.4
107.08579	2.4
109.06493	1.8
109.10146	0.6
111.08071	0.6
117.07011	0.7
119.08560	1.6
121.06515	2.9
121.10116	2.0
123.08055	3.1
129.06958	0.5
131.08539	3.5
133.06479	0.7
133.10144	0.8
135.08043	1.4
137.05988	1.5
137.09656	2.9
138.05464	0.3
139.07533	0.6
143.08568	2.4
145.06519	0.5
145.10117	3.6
147.08029	3.1
147.11688	1.3
149.05957	0.9
149.09615	1.7
151.07544	0.7
151.11206	0.8
153.09096	6.0
155.08488	0.5
156.09396	0.4
157.06497	0.4
157.10107	2.0
159.08043	1.9
159.11664	0.5
161.09576	3.7
163.07451	0.4
163.11122	2.6
164.11996	0.6
165.09117	1.5
169.10132	1.6
171.07991	0.5
171.11638	3.4
173.09641	1.7
173.13177	0.6
175.07550	0.6
177.09151	0.9
179.10654	0.7
181.10123	2.6
182.10924	0.5
183.11604	0.8
185.09567	0.7
187.11180	0.7
189.12733	2.8
193.10124	0.6
195.11711	0.9
197.09596	0.9
197.13306	2.3
199.11215	2.8
199.14899	0.4
201.09081	0.5
201.12697	0.4
203.07182	0.4
207.11708	1.5
209.09711	1.7
209.13252	0.7
211.11218	0.4
211.14699	0.5
213.12752	1.7
215.10622	0.6
215.14349	1.5
216.95163	0.4
221.13203	0.7
223.11121	1.3
223.14803	1.8
225.12706	2.3
227.10754	0.6
227.14218	0.5
229.15767	0.7
239.14305	2.1
241.12247	0.9
241.15887	0.5
243.13753	0.8
251.14297	0.8
255.13844	0.5
257.15341	1.8
263.14423	0.5
265.15854	1.6
267.13782	1.4
269.15359	1.9
281.15436	1.4
283.16855	0.7
285.14996	1.4
287.16284	0.6
293.15436	1.5
299.16354	0.7
303.15909	1.9
311.16260	2.6
321.16956	2.8
329.17401	3.8
339.18063	1.7
347.18539	5.2
365.19550	4.8
383.20624	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	383.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83889	2.2
53.03965	3.0
55.05514	32.9
57.03441	3.1
61.02922	4.5
63.16143	2.7
63.93236	2.2
67.05498	5.4
69.03437	36.4
71.75405	3.4
73.02886	4.7
81.03419	5.6
81.07052	18.6
83.04974	18.5
85.02896	42.0
89.43925	2.6
91.05467	6.4
92.17948	3.3
93.07036	3.8
95.04940	10.5
95.08629	3.9
97.02872	17.3
105.07019	6.6
107.08596	3.2
109.02925	3.1
109.06526	21.8
109.10142	3.6
119.08566	43.0
119.90429	3.4
121.10128	14.9
127.03896	15.8
133.10130	53.6
135.11623	3.3
143.08655	2.6
145.10124	5.6
147.08031	46.6
151.07494	3.7
151.11171	5.2
156.11183	4.0
157.10149	3.8
159.11679	4.1
161.09615	15.7
161.13239	97.5
165.09067	25.3
170.10878	3.8
175.14787	27.4
185.13318	5.1
203.14304	100.0
210.11259	4.7
221.15364	80.4
289.19189	3.5
354.70782	3.0
383.21091	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	383.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90754	1.6
53.03959	2.1
54.69242	1.5
55.01863	1.8
55.05516	31.0
57.03437	2.7
60.35489	2.0
61.02913	10.4
67.05507	12.1
69.03429	34.3
69.07065	3.3
73.02895	4.1
79.05489	3.5
81.03413	8.8
81.07063	12.9
83.04987	19.2
85.02905	53.9
87.04456	4.1
88.86038	1.7
91.03954	2.9
91.05476	3.8
92.28065	1.8
93.07031	8.3
95.04961	10.6
95.08607	7.3
96.51891	1.8
97.02901	20.8
97.06483	2.3
99.04436	3.0
105.07020	6.9
107.08609	3.8
109.02857	11.1
109.06491	16.9
109.10099	1.7
111.08056	2.3
119.08561	46.5
121.10115	14.2
121.84900	1.9
127.03911	10.7
133.10117	52.1
135.11720	2.4
137.09593	3.1
145.04982	3.7
145.10066	3.8
147.08034	51.0
147.11662	3.9
153.12749	1.9
159.11702	3.5
161.09630	19.3
161.13237	94.2
165.09082	19.5
170.10933	3.8
175.14815	27.9
185.13249	10.6
188.11940	3.3
190.92442	1.9
203.14307	100.0
221.15346	73.7
221.17389	3.3
315.62698	1.8
332.37100	2.1
383.20554	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	383.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17274	1.4
55.02285	1.7
55.05522	2.1
62.43968	1.7
65.64768	1.8
67.05505	3.2
69.07065	4.1
75.37316	1.6
79.05476	4.0
80.39851	2.1
80.40313	1.7
81.07055	13.2
83.04985	3.2
83.08611	2.4
84.85374	1.6
91.05509	3.6
93.07055	8.8
95.08588	11.5
97.06528	2.5
105.07029	12.1
107.08606	23.7
109.06481	3.1
109.10182	13.5
119.08592	15.8
121.10120	9.1
123.08028	2.6
123.11723	12.0
125.09639	3.3
129.06987	3.0
131.08548	4.6
133.06516	2.6
133.10139	13.1
135.08038	2.1
137.09651	3.0
143.08539	9.9
145.06439	2.0
145.10078	14.4
147.11693	3.5
149.09607	3.5
151.11177	9.8
155.08566	8.6
157.10100	16.9
159.08011	4.3
159.11653	4.0
161.09645	9.9
161.13332	2.0
161.73416	1.9
164.69244	1.8
167.08548	7.7
169.10110	15.8
171.11716	9.8
173.09608	4.0
173.13182	2.2
174.10338	1.8
175.11226	14.9
179.08578	9.9
180.09135	2.1
181.10068	8.4
183.11708	12.5
185.09628	4.4
185.13268	12.9
187.07632	2.4
187.11212	3.1
193.10063	16.2
195.11656	18.2
197.09570	3.0
197.13274	10.5
199.11096	2.8
201.12779	7.0
206.10933	3.5
207.11748	18.2
209.13277	3.4
211.11183	14.1
211.14890	9.0
213.12714	45.3
220.12527	3.4
221.13304	17.7
223.14801	4.4
225.12733	9.7
225.16426	3.1
228.15054	2.4
233.13235	2.7
237.16318	9.6
238.13559	2.4
239.14261	9.9
239.17934	4.4
248.15567	7.1
253.19427	23.2
263.17941	32.7
269.33731	2.2
271.20563	9.6
273.14798	10.2
281.18982	100.0
282.19257	2.1
289.56485	2.7
299.20023	17.5
323.20029	35.3
340.05768	2.6
341.21094	92.1
342.21417	3.4
355.08154	2.9
383.07672	10.8
383.22052	40.6
383.25620	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	383.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84499	1.8
55.05491	3.3
55.58691	2.0
59.04995	2.3
67.05459	1.8
69.07050	11.6
73.62559	1.9
77.21600	1.9
81.07034	2.8
83.05008	2.9
91.05470	3.2
92.17888	2.3
93.07014	5.0
94.58779	2.0
95.04942	3.9
95.08578	9.6
97.06515	14.5
105.07021	15.8
107.08574	13.4
109.06512	22.7
109.10121	8.8
109.91914	1.8
111.08016	3.1
117.06949	2.7
119.08595	26.1
121.10146	4.8
123.08054	10.2
123.11657	3.4
125.09599	8.9
131.08537	7.6
133.10120	10.0
135.08028	3.5
135.11714	3.3
137.09630	17.2
142.06093	2.1
143.08557	28.8
144.78763	2.0
145.10117	22.5
149.09578	9.5
155.08543	12.1
157.10109	28.3
159.08017	3.0
159.11647	8.1
160.74176	2.1
161.09578	4.1
169.10089	25.7
171.11655	15.6
173.09641	7.0
175.11150	8.7
181.10118	8.5
183.11664	27.6
185.13266	10.5
187.11134	2.3
193.10080	4.8
195.11673	9.7
197.13248	10.9
199.11121	2.8
201.12694	3.5
206.10909	3.5
207.11685	17.5
208.12401	2.4
209.13303	10.1
211.11191	9.7
211.14793	4.2
220.12515	3.0
221.13210	17.6
222.13962	3.6
223.14774	10.8
225.12700	8.6
233.13239	2.2
237.16394	15.0
239.14415	2.6
239.17836	8.3
248.15536	3.3
253.19505	8.9
263.17957	25.8
281.18970	100.0
299.20053	15.4
305.18903	2.6
322.79758	2.2
323.20026	9.6
334.41431	2.2
341.21106	33.6
342.21631	3.1
356.40094	2.4
383.22079	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	383.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.0
58.13744	3.5
67.73504	4.0
69.04535	5.3
69.07061	7.5
81.07052	4.9
88.02078	4.4
91.05450	6.7
93.07048	9.6
95.08611	14.3
95.20517	4.0
97.06509	17.2
105.07046	21.1
107.08599	18.5
109.06509	19.9
109.10141	19.5
109.38132	4.4
115.63003	4.2
119.08558	51.1
123.08053	9.0
125.09685	4.8
131.08559	8.4
133.10118	7.5
135.08049	5.1
135.17625	4.2
142.07745	6.1
143.08563	38.3
145.10146	26.1
149.09647	7.2
151.11186	5.4
155.08629	18.1
156.09335	5.3
157.10127	34.9
159.11722	7.3
161.09610	6.7
163.11189	4.8
165.43614	4.5
167.08521	4.3
168.09377	4.9
169.10104	27.4
171.11711	21.3
181.10056	6.4
183.11703	22.1
192.09306	5.1
193.10100	7.2
195.11736	9.8
197.13261	16.2
199.11235	7.1
207.11670	23.6
209.13264	8.3
211.11179	8.1
221.13225	34.5
223.14705	7.8
225.12709	6.1
233.13275	6.0
234.13989	5.5
237.16403	10.1
239.14063	5.2
248.15651	8.3
253.19615	4.4
263.17935	62.4
281.18970	100.0
299.19897	8.2
300.20499	5.9
323.20087	9.2
341.21133	31.2
342.21436	9.5
383.22153	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
51.46338	1.2
54.63836	1.3
55.01884	2.5
55.05516	10.4
57.03431	8.8
58.38636	1.6
58.86578	1.4
61.95671	1.3
62.83936	1.2
64.57437	1.3
65.03633	1.3
65.03993	1.7
67.05504	18.3
69.03423	5.7
69.07060	15.2
79.05489	22.2
81.07059	31.1
83.04971	8.6
83.08612	8.2
83.16076	1.8
91.05478	23.0
93.07047	22.5
95.04958	6.2
95.08620	15.4
97.02859	2.0
97.06528	2.9
97.10159	6.3
105.07025	14.5
107.04982	6.8
107.08582	21.8
109.06532	3.3
109.10164	23.4
111.04421	2.0
111.08070	2.6
117.07013	8.1
119.08561	11.4
121.06495	6.2
121.10152	9.8
123.08061	6.6
123.11648	2.4
125.09594	7.0
129.07010	3.2
131.08539	13.5
133.06482	8.4
133.10127	30.0
135.08054	6.7
135.11678	5.4
143.08551	2.2
145.10118	5.9
147.08067	5.8
147.11703	3.4
147.30493	1.8
149.09630	9.0
151.11169	10.9
157.10110	2.6
159.08109	2.4
159.11633	3.2
161.09621	8.3
163.11171	2.6
171.11656	7.0
175.11201	1.8
185.13185	2.1
188.66559	1.5
223.13339	2.5
245.19113	3.5
250.58789	1.6
253.14508	2.4
271.15402	3.1
273.18494	13.7
285.16980	1.5
291.19550	55.4
291.22797	2.2
347.22299	5.9
365.23206	100.0
383.24460	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	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
52.24606	1.4
55.01880	6.3
55.05527	12.9
57.03441	10.9
67.05511	30.9
69.03418	2.0
69.07064	14.1
71.04985	2.7
79.05505	27.5
81.03463	1.8
81.07057	53.2
83.04974	8.6
83.08627	6.9
85.06531	1.9
91.05478	31.5
93.06509	2.0
93.07047	36.5
95.04957	9.0
95.08603	17.7
97.06537	7.1
105.07035	25.8
107.04953	9.9
107.08597	37.8
109.06508	8.2
109.10151	41.4
111.04404	2.4
111.08083	7.5
113.06023	2.1
117.07010	11.0
119.08589	16.0
121.06503	13.7
121.10161	15.7
123.08067	5.5
123.11705	9.3
131.08575	16.3
133.06519	11.5
133.10136	48.8
135.08031	12.3
135.11720	8.9
137.05981	2.3
139.07555	6.3
143.08563	9.3
145.10135	11.3
147.08041	10.0
147.11685	7.5
149.09619	15.5
151.11211	18.1
153.01845	1.7
157.10146	3.6
159.08037	2.5
159.11700	2.3
161.09583	14.4
161.13147	1.7
163.11247	3.0
169.12228	2.3
171.11688	6.0
173.09599	1.9
173.13359	2.2
175.11189	3.6
177.09108	6.7
177.12677	1.7
179.99509	1.6
181.08516	1.8
183.11723	1.8
185.13268	2.6
189.12778	1.8
207.13907	2.2
213.12627	2.1
215.12801	2.5
245.19026	10.8
245.76700	1.4
253.14322	17.1
255.17459	1.6
263.20108	6.1
269.13751	2.2
269.57715	1.6
271.15332	14.3
273.18448	28.6
291.19531	37.5
293.79535	1.6
309.20474	2.4
347.22238	7.1
365.23218	100.0
383.24542	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62008	0.5
55.05503	1.0
55.29818	0.6
57.03436	1.8
57.07076	0.7
67.05495	4.1
67.42227	0.6
69.07064	4.1
79.05479	3.3
81.07060	10.3
83.04909	0.7
83.08603	3.4
84.57452	0.9
91.05470	0.9
93.07030	3.1
95.08605	6.9
100.38300	0.8
107.08586	1.8
109.06506	4.9
109.10139	3.6
111.04430	18.6
119.08617	2.7
121.10139	3.6
123.08048	1.1
123.11685	1.2
125.05966	6.1
131.08528	1.3
133.10104	3.9
135.08040	1.7
135.11720	5.5
137.05980	100.0
137.09538	1.3
137.13240	1.8
145.10114	1.2
147.08040	1.1
147.11676	7.0
149.09627	6.5
149.13228	0.8
151.07536	1.3
157.10184	1.1
159.11688	0.9
160.64932	0.7
161.09584	6.0
161.13226	1.3
163.11177	3.3
163.14851	1.2
165.09109	3.3
171.11568	1.1
175.11159	5.4
175.14854	1.5
179.10669	0.9
181.12215	0.9
189.12761	1.1
203.17934	7.5
213.16377	3.3
221.18994	1.6
223.14888	1.0
231.17424	6.1
249.18398	3.1
277.17950	46.2
295.19061	7.2
351.21780	5.2
383.24271	38.9
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
52.65042	1.9
54.22592	1.9
55.05511	3.2
57.07078	5.2
67.05504	5.8
67.07196	1.9
69.03411	4.5
69.07079	5.2
71.05006	3.3
71.39344	2.5
74.12714	2.2
79.05483	11.6
81.07063	16.7
83.08617	3.1
85.37557	2.5
91.05458	11.9
93.07047	33.2
95.04958	6.0
95.08587	21.6
97.06527	5.4
105.07031	27.7
107.08582	13.2
109.06480	4.3
109.10151	5.1
119.08582	18.0
121.10129	30.1
123.08086	4.1
131.08554	11.7
133.10182	16.6
135.08060	11.3
137.09607	3.8
142.07765	10.5
143.08560	10.2
145.10117	13.8
147.08006	17.4
147.11638	2.8
149.09633	16.3
151.07538	20.8
156.09239	2.8
157.10143	19.1
159.11710	4.0
161.09610	5.8
161.13316	3.7
165.09056	19.4
171.11560	2.9
172.52396	2.7
175.11156	10.9
177.09155	5.4
185.13235	9.2
201.12805	5.4
203.14322	11.2
207.13757	3.7
209.13188	2.7
213.12886	3.0
219.13838	3.6
221.15396	35.2
222.65717	2.3
226.28001	2.6
234.16203	4.3
287.19916	2.8
340.20709	2.3
365.24951	9.1
383.20770	3.5
383.25760	100.0
383.30682	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	383.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.5
57.01613	2.5
57.03432	2.8
58.33204	2.3
59.38750	2.5
59.39066	2.5
67.05490	4.8
69.07051	10.7
71.08601	14.9
73.14199	2.8
77.90908	2.8
79.05495	5.5
81.07069	26.1
83.08627	4.3
93.07021	11.7
95.08596	19.9
97.06519	4.0
97.10160	4.3
99.08099	3.8
105.07021	4.6
107.08604	11.7
109.06509	32.9
109.10178	4.3
116.47874	2.8
119.08575	6.5
121.10110	4.1
123.08116	3.3
123.11680	6.4
133.10094	3.4
147.11714	4.3
165.12732	63.2
179.14142	3.3
235.16937	17.2
291.23148	100.0
309.24124	4.3
337.95035	3.0
383.23260	4.6
383.27908	99.4
383.32806	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	384.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
54.27053	0.3
57.03418	0.4
61.02917	0.8
63.50676	0.3
69.03432	3.7
73.02895	0.3
78.49132	0.4
81.03391	1.2
85.02901	8.3
86.09705	0.4
87.04449	0.7
91.03960	0.4
97.02878	3.2
99.04447	0.4
101.02394	0.3
102.59994	0.3
102.70178	0.3
109.02865	1.6
127.03899	1.4
131.06955	0.5
132.10175	0.4
145.03918	0.3
145.05009	1.2
157.07611	1.4
158.07971	2.9
176.03336	0.5
194.04483	52.6
203.08159	1.5
204.08504	3.2
208.09718	0.3
222.03961	100.0
240.54393	0.3
280.85834	0.3
295.83444	0.3
384.09045	2.4
384.13538	5.5
387.78995	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	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.13344	0.3
55.01879	0.6
57.03437	1.8
57.37638	0.3
58.06539	0.4
61.02921	0.6
63.12518	0.4
63.39999	0.4
67.05514	0.4
69.03413	2.0
71.70712	0.4
72.58190	0.4
73.02908	0.7
83.04977	1.8
85.02887	2.3
91.05479	6.0
93.03412	0.5
97.02863	1.0
110.07140	0.8
111.04445	3.1
115.03905	0.5
119.03530	0.5
119.04939	2.6
129.05453	2.0
130.74399	0.4
134.09645	5.3
136.06189	13.9
139.03918	0.9
144.58194	0.5
147.04370	1.0
148.06151	0.9
152.23047	0.4
162.07739	19.9
174.67094	0.4
188.05643	7.7
192.05145	10.7
199.07961	0.4
206.06721	11.0
208.07925	0.5
210.11237	1.0
229.24979	0.5
234.06203	15.5
252.07257	100.0
275.00146	0.5
317.87900	0.5
384.11450	43.9
384.16455	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	384.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76458	0.4
69.03412	0.5
70.06584	1.8
71.04969	0.4
73.66267	0.4
79.86057	0.4
81.80290	0.4
85.02876	0.8
99.05562	0.6
106.58923	0.4
130.05034	0.6
136.06178	1.1
136.42197	0.5
148.06139	0.8
164.46458	0.5
188.08467	0.4
192.68761	0.5
203.47279	0.6
204.12346	0.7
207.35333	0.5
208.09729	3.6
210.05824	2.4
218.06198	1.0
222.13446	9.7
238.05301	100.0
240.06865	9.6
246.05785	0.6
263.08527	2.5
264.06824	0.9
281.09473	1.1
356.01215	0.5
366.11124	9.4
366.18945	0.7
367.09552	5.7
384.12167	17.2
384.19009	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	384.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96840	0.4
57.03439	3.5
57.52425	0.4
60.43208	0.4
61.02911	0.5
67.20296	0.4
69.03426	3.9
71.04983	0.6
73.02913	0.5
75.04473	0.8
81.03407	2.2
81.07110	0.4
84.17237	0.4
85.02912	4.9
87.04453	1.0
87.98991	0.5
91.05482	2.6
97.02927	3.5
97.06511	1.9
99.04454	1.1
103.05463	2.5
106.02908	2.1
109.02878	1.0
110.07141	0.5
120.08100	4.3
124.03945	3.8
127.03887	1.9
131.04935	3.0
133.05232	1.7
134.09674	0.8
145.04959	0.5
146.06013	0.5
148.07567	100.0
176.07103	0.6
204.08536	0.5
204.10219	3.7
205.10963	12.2
221.12770	0.5
222.11246	6.0
222.13275	0.8
268.08014	0.7
384.05936	0.6
384.16647	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	384.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.5
54.65448	1.5
58.39240	1.3
71.08630	13.9
71.43157	1.3
91.05489	5.5
95.04955	8.0
99.08085	8.6
103.55872	1.5
105.03398	100.0
106.06560	5.9
114.10376	1.5
118.06535	33.2
119.04941	18.2
136.07582	74.8
186.74063	1.5
234.14876	51.6
237.46315	1.6
262.14365	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	384.1878
Annotation	9-(alpha-D-glucosyl)dihydrozeatin
Peak:m/z	Relative Intensity
50.98588	0.5
61.02919	0.7
69.03419	4.4
69.07061	2.5
71.40459	0.6
73.02896	0.5
81.03454	0.6
83.50547	0.5
85.02901	8.8
85.08447	0.5
87.04446	2.2
97.02855	3.6
99.04427	0.8
127.03873	1.0
136.05278	0.9
136.06195	19.0
145.04953	0.8
148.06178	9.1
155.05588	0.7
177.25890	0.6
204.12442	7.4
222.13474	100.0
238.17992	0.6
265.37741	0.7
271.57361	0.6
273.82831	0.5
384.18628	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27467	0.4
54.68694	0.4
55.05503	0.7
57.07082	0.6
59.86632	0.5
61.90034	0.4
61.90825	0.4
67.05495	0.7
68.05018	0.7
69.07056	2.0
70.06599	4.6
70.06904	0.5
81.07049	7.4
83.04952	0.8
83.08613	0.6
85.06525	0.7
91.05455	0.7
93.07024	3.4
95.08605	7.3
97.06519	0.6
97.10145	1.1
100.07629	0.8
105.03419	1.0
105.07050	5.5
107.08573	5.9
109.10130	4.3
114.05502	4.1
116.07063	0.8
117.07014	0.6
119.08564	5.2
121.10114	3.1
123.11681	2.1
124.15051	0.5
128.07066	6.8
131.08565	2.7
132.09343	2.8
133.10120	5.2
135.11635	1.9
136.07524	1.6
137.09625	0.6
137.13229	3.0
140.07060	2.6
142.08627	2.3
143.08594	0.9
145.10114	5.2
147.11626	3.1
148.11226	1.2
149.09618	0.5
149.13229	0.7
157.10121	2.0
159.11697	3.2
161.13214	1.2
163.14778	0.8
168.10182	19.8
171.11568	0.5
173.13217	2.1
175.11134	0.6
175.14740	0.9
177.16451	1.1
178.08615	3.0
180.01180	0.5
180.10069	0.6
185.13277	3.6
187.14816	0.5
192.10190	5.4
193.10965	5.1
194.11757	9.0
199.14810	1.1
200.77101	0.6
201.16457	0.7
201.86061	0.5
202.15916	3.4
211.14664	0.8
213.16258	0.6
232.13307	3.9
246.14896	0.8
247.15739	1.9
248.16403	0.6
254.56238	0.5
260.16599	0.6
265.19467	0.5
269.22388	0.6
271.23856	0.5
283.20508	1.2
304.22745	0.8
343.22668	12.3
384.28931	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	385.058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94945	0.6
64.83710	0.6
69.03427	0.9
70.06577	0.9
72.93781	1.7
81.03400	1.7
85.02915	1.2
90.94808	2.9
97.02877	3.9
99.04449	0.7
100.77888	0.7
106.02916	1.0
122.05996	0.8
123.04411	4.1
123.08073	1.0
124.03951	3.7
128.96335	1.0
132.95828	9.1
140.96266	1.0
144.95787	5.2
150.96878	1.1
156.95836	2.8
158.31746	0.6
158.96040	1.0
158.97372	27.7
160.43520	0.6
162.96898	1.1
166.08658	3.4
168.06535	1.5
168.95821	1.4
170.97371	4.5
172.95201	0.9
174.96866	1.2
176.98425	5.9
186.96841	4.8
188.98483	1.6
190.96342	1.3
194.97389	19.9
198.96866	7.6
204.99548	0.9
205.08566	1.2
210.07509	1.1
212.98427	9.0
214.55725	0.8
216.97937	14.6
220.98952	8.6
223.00485	9.0
225.02057	3.9
234.96524	0.9
234.98962	42.1
239.00011	5.9
241.01552	53.5
245.23997	0.8
259.97607	3.0
272.98584	1.8
283.02655	3.4
295.02609	2.6
307.02582	1.2
319.02631	9.4
367.04932	1.1
368.13126	1.0
385.05768	100.0
385.13297	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	385.058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94945	0.6
64.83710	0.6
69.03427	0.9
70.06577	0.9
72.93781	1.7
81.03400	1.7
85.02915	1.2
90.94808	2.9
97.02877	3.9
99.04449	0.7
100.77888	0.7
106.02916	1.0
122.05996	0.8
123.04411	4.1
123.08073	1.0
124.03951	3.7
128.96335	1.0
132.95828	9.1
140.96266	1.0
144.95787	5.2
150.96878	1.1
156.95836	2.8
158.31746	0.6
158.96040	1.0
158.97372	27.7
160.43520	0.6
162.96898	1.1
166.08658	3.4
168.06535	1.5
168.95821	1.4
170.97371	4.5
172.95201	0.9
174.96866	1.2
176.98425	5.9
186.96841	4.8
188.98483	1.6
190.96342	1.3
194.97389	19.9
198.96866	7.6
204.99548	0.9
205.08566	1.2
210.07509	1.1
212.98427	9.0
214.55725	0.8
216.97937	14.6
220.98952	8.6
223.00485	9.0
225.02057	3.9
234.96524	0.9
234.98962	42.1
239.00011	5.9
241.01552	53.5
245.23997	0.8
259.97607	3.0
272.98584	1.8
283.02655	3.4
295.02609	2.6
307.02582	1.2
319.02631	9.4
367.04932	1.1
368.13126	1.0
385.05768	100.0
385.13297	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	385.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93954	1.0
66.82965	1.1
69.03406	2.5
72.93784	1.2
85.02886	7.5
91.05480	1.2
95.04990	1.5
97.02891	5.4
109.02866	1.7
119.04944	1.4
132.95808	7.5
140.96317	1.8
142.53569	1.1
144.95831	1.6
151.03909	8.3
151.07516	18.9
158.97388	23.7
166.08614	2.4
168.95647	1.4
170.97342	2.0
176.98422	5.5
186.37822	1.3
186.96906	5.0
188.98473	2.1
192.99478	1.1
194.97354	14.4
198.96857	6.7
205.08630	1.5
208.99071	1.6
212.98445	7.6
216.97871	13.5
220.81699	1.2
220.99001	9.1
223.00560	9.0
223.09633	6.1
225.02213	2.2
234.98973	40.7
235.01128	2.2
236.56340	1.2
238.99973	2.4
241.01569	48.8
259.97617	2.2
261.99323	1.3
265.01364	1.8
277.01874	1.6
283.02438	1.4
292.19968	1.3
319.02628	6.3
367.04898	1.5
385.05783	100.0
385.09995	3.7
385.14255	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	385.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31331	1.4
59.90104	1.3
62.89954	1.6
72.98259	1.7
85.33759	1.6
88.02203	3.1
98.49900	1.6
98.97588	2.6
131.07074	1.5
134.02661	4.0
136.06216	7.9
194.04488	2.9
195.04793	2.4
198.84406	1.6
219.01694	2.5
222.03983	8.2
223.04309	11.2
234.98906	2.5
237.02902	2.4
301.08295	1.6
367.06769	1.6
385.08951	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	385.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50017	1.6
59.43703	1.7
60.82183	1.8
82.65655	1.6
98.97572	3.1
134.02666	2.7
136.06148	8.1
146.06046	2.2
237.02831	2.9
243.75034	2.1
339.02725	2.1
385.03940	3.4
385.08902	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	385.1288
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
51.44756	0.5
51.76515	0.5
52.85464	0.6
69.03454	0.9
84.16204	0.6
85.02895	3.3
88.02219	30.7
88.19231	0.7
91.24761	0.6
97.02893	3.6
98.97527	0.7
109.44565	0.7
129.69974	0.6
134.01219	0.8
134.02713	78.0
136.06186	100.0
146.05994	2.5
158.99573	0.7
165.35974	0.6
219.01724	0.7
227.15517	0.7
235.17259	0.6
249.78835	0.6
250.07420	11.6
251.04384	1.1
288.07980	4.7
293.05371	0.8
314.84222	0.7
385.08807	12.2
385.12955	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	385.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27118	1.7
67.45648	1.5
70.06210	1.4
175.05006	15.9
185.04233	10.3
212.21657	1.9
218.74704	1.8
223.09404	54.9
223.13004	6.8
229.99907	1.5
253.09686	23.4
385.14532	100.0
385.18478	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27118	1.7
67.45648	1.5
70.06210	1.4
175.05006	15.9
185.04233	10.3
212.21657	1.9
218.74704	1.8
223.09404	54.9
223.13004	6.8
229.99907	1.5
253.09686	23.4
385.14532	100.0
385.18478	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
52.60156	0.9
58.42965	1.0
60.49989	1.0
64.00510	1.1
69.03436	1.3
79.05450	1.2
88.49064	1.1
91.05489	3.0
95.04953	2.9
95.08633	1.1
97.06499	2.3
97.07590	1.1
105.07028	5.5
109.06512	16.9
113.06001	6.3
115.05444	1.4
117.06990	2.3
119.04893	7.2
123.04411	2.4
123.08050	1.8
125.05947	1.8
128.06259	1.4
129.06963	11.5
133.06488	5.8
141.06949	6.9
143.08559	1.6
145.06488	9.5
147.08043	2.0
153.07056	1.7
155.08493	9.4
157.06474	7.4
159.07990	1.3
165.06995	1.9
167.08580	5.3
169.10129	5.1
171.08003	1.2
179.08469	1.8
180.09366	2.3
181.10075	2.6
183.08037	6.2
185.09612	1.6
187.07509	2.5
189.09140	1.4
192.09290	1.6
193.10130	5.7
195.11661	5.2
197.05916	2.3
197.09514	5.9
209.09529	1.9
211.07527	1.3
211.11191	1.8
219.11630	2.7
221.09599	2.4
223.11020	2.2
225.09166	1.6
235.11060	1.7
237.12796	6.4
239.10617	1.6
241.12178	2.6
251.14241	1.7
261.12769	1.4
265.12286	5.5
279.13763	1.8
283.13235	1.6
297.14685	2.3
307.13443	1.2
325.14346	18.3
343.15482	1.8
385.16434	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	385.1646
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
56.46036	0.8
65.92519	0.7
67.05491	3.4
79.05468	1.7
81.07047	3.6
91.05479	5.9
93.07024	4.0
95.04943	4.7
95.08606	0.9
97.06513	3.8
105.07034	8.1
107.08610	1.2
109.06548	16.5
109.10060	0.9
111.04437	1.7
111.08043	1.5
113.05972	5.1
117.06997	5.4
119.04914	5.6
119.08562	1.9
121.06493	1.3
121.10155	1.6
122.66991	0.8
123.04414	1.5
125.05968	1.7
127.03912	0.9
128.06270	4.0
129.07008	13.2
131.04872	1.1
131.08578	1.6
133.06485	4.3
135.08034	2.0
137.05977	1.5
139.03917	1.8
139.07487	1.1
141.06985	4.1
143.08551	4.8
145.06487	7.1
147.07997	3.1
151.07547	1.8
153.01842	2.1
155.08591	9.5
157.06483	6.5
157.10089	1.3
159.07986	3.9
165.07031	1.3
167.08531	4.3
169.06461	1.3
169.10057	3.3
169.45169	0.9
171.08028	4.1
173.09477	1.4
178.07646	1.1
179.08562	3.8
180.09254	1.0
181.10077	3.6
183.08051	5.5
185.06018	1.2
185.09644	1.5
187.07507	4.1
192.09348	1.4
193.10133	4.3
195.08026	1.3
195.11717	4.1
197.09570	4.5
199.11217	1.4
203.80634	0.9
204.09332	1.7
205.10107	1.1
207.11656	1.7
209.09535	1.2
209.13213	1.2
211.07545	1.2
211.11137	2.1
213.09027	1.3
218.10849	1.3
219.11572	1.2
221.09566	1.4
221.13156	0.9
223.11215	1.9
233.13289	1.1
235.11224	1.9
237.12701	4.8
239.10603	1.8
241.12178	1.5
251.10765	1.2
251.14305	1.6
253.12187	1.2
265.12241	2.1
279.13754	4.0
295.13354	1.0
297.14819	1.5
307.13379	3.6
325.14252	16.5
337.02756	1.0
343.15424	5.6
367.15237	1.5
385.16422	100.0
385.23413	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	385.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85918	1.1
53.50037	1.6
56.09992	1.2
56.78907	1.3
69.49725	1.4
85.67336	1.5
91.05479	3.0
99.30714	1.3
103.40604	1.6
107.04925	2.6
119.04928	2.3
121.06494	1.6
123.04364	1.6
129.06999	6.1
131.04947	1.9
131.08594	2.1
135.08051	2.0
137.05997	10.0
143.80815	1.4
147.04358	2.3
147.08032	2.4
148.05225	1.7
151.07530	8.7
157.06494	3.4
161.05965	100.0
161.09586	21.6
163.07535	6.4
174.06790	1.8
174.46616	1.5
175.07526	34.8
185.06023	6.5
187.07529	2.1
189.09097	48.8
191.06989	2.4
195.10173	1.6
199.07503	1.5
201.09074	2.3
207.10172	29.7
213.09138	2.2
223.06004	5.4
245.09843	1.7
249.09052	2.6
251.10600	5.9
277.08679	2.3
277.12241	2.6
279.09998	2.0
287.02002	1.3
294.22577	1.4
309.11127	2.7
311.12842	18.6
321.11020	1.4
323.12939	1.9
337.14279	16.3
355.15384	20.5
367.15329	6.5
385.14432	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	385.1832
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
51.70927	0.4
58.08769	0.3
58.22268	0.4
92.18502	0.4
101.63313	0.4
101.64072	0.4
111.78413	0.4
126.97952	0.4
137.05971	0.4
143.08517	0.4
161.05965	0.5
175.05060	4.6
197.45235	0.4
223.09399	5.2
223.12941	5.2
234.87074	0.4
253.09744	5.9
265.14267	0.9
385.14682	6.4
385.18378	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	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18334	5.7
54.09188	5.4
59.12424	5.5
71.81134	6.1
79.05490	7.4
81.07064	6.0
82.43900	6.5
91.05469	6.2
93.07008	12.3
94.54632	6.3
95.04980	10.3
95.08588	9.4
102.34448	5.5
105.07024	31.8
107.08614	10.8
109.06468	9.1
109.10136	7.5
117.06999	25.4
118.92321	5.1
119.04936	6.4
119.08566	69.8
121.10117	10.3
124.41480	5.8
129.06972	13.9
130.07704	9.6
131.08574	8.9
133.10153	100.0
143.08545	23.1
145.10107	77.9
155.08542	22.9
157.06345	6.1
157.10110	23.0
159.11667	11.9
163.11188	22.1
169.10150	21.8
171.11693	27.9
181.10109	13.3
183.11711	11.0
195.11745	28.8
197.13222	8.1
208.12363	7.7
209.13295	36.5
223.14857	13.7
235.14780	6.2
265.16846	6.9
265.19421	69.4
325.14471	8.4
385.16370	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	385.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30394	3.0
57.59503	3.1
64.09216	3.2
65.55458	3.2
67.05488	5.8
79.05481	13.5
81.07047	7.0
88.30852	3.8
91.05475	21.3
93.07041	17.4
95.08599	17.6
105.07034	33.4
107.08580	14.3
109.10166	16.0
117.07014	7.6
119.08579	54.3
121.10120	14.9
129.06937	5.4
130.07768	7.5
131.08574	7.9
133.10126	100.0
142.07813	3.9
143.08569	17.3
145.10124	81.5
147.11681	16.7
155.08612	13.3
156.09320	8.9
157.10115	28.8
159.11688	30.7
163.11134	7.9
167.08478	4.5
169.10056	19.7
171.11671	20.6
181.10101	14.4
183.11664	19.9
185.13402	4.4
193.10118	6.6
195.11639	26.9
197.13242	20.1
199.14857	4.7
208.12524	4.6
209.13280	35.4
223.14728	26.4
237.16386	5.0
265.19498	83.0
283.20605	15.8
302.23535	3.7
325.21539	15.9
385.23856	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	385.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.0
63.31082	2.9
65.20859	2.9
65.64070	2.8
67.05503	12.4
79.05487	7.1
81.07056	7.3
91.05480	23.4
93.07026	30.3
95.08604	32.6
105.07030	31.1
107.08588	22.0
109.10137	16.1
117.07027	19.4
119.08578	72.4
121.10112	23.6
129.07048	3.7
130.07791	7.6
131.08551	17.2
133.10118	100.0
135.11725	5.6
143.08609	25.0
145.10112	92.4
147.11681	17.8
155.08521	20.5
156.09349	4.2
157.10129	30.4
159.11693	17.3
159.34399	3.2
162.21327	3.8
163.11166	17.7
163.86736	3.5
167.08516	5.8
169.10097	25.5
171.11668	23.7
173.13268	7.2
179.08571	6.8
181.10109	20.8
183.11699	17.2
185.13298	13.0
193.10112	6.9
194.10789	5.9
195.11673	34.2
197.13268	15.4
199.14948	3.9
208.12457	17.6
209.13278	47.4
213.12665	4.2
221.13315	5.9
223.14754	36.7
225.16412	6.0
265.19489	96.4
283.20557	22.7
325.21600	20.1
343.22757	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38311	2.6
56.97868	3.0
58.31520	2.9
67.05518	11.4
79.05498	3.4
81.07041	20.3
81.07460	3.2
84.64716	3.6
91.05472	17.1
93.07050	28.2
95.04969	4.4
95.08608	24.3
101.74614	3.5
105.07044	34.7
107.08578	24.9
109.10156	14.5
111.08073	6.4
117.07018	22.1
119.08570	52.6
121.10133	6.8
129.07002	4.4
130.07814	14.6
131.08559	22.5
133.06500	3.2
133.10123	100.0
135.11658	4.8
141.06920	3.3
143.08577	16.7
145.10127	84.7
147.11707	8.1
155.08545	12.8
156.09261	5.4
157.10115	24.6
159.11665	24.7
163.11209	13.5
167.08551	7.4
169.10121	21.3
171.11676	26.1
173.13266	5.9
179.08572	4.3
180.09259	5.4
181.10103	14.6
183.11670	21.2
185.13255	11.6
193.10182	6.2
194.10876	6.7
195.11717	29.4
197.13260	12.6
207.11748	4.1
208.12578	5.9
209.13290	42.6
221.13147	4.0
222.60197	4.7
223.14786	26.9
225.16309	6.0
235.14793	4.1
265.19467	79.6
278.80188	3.6
283.20490	16.4
325.21783	6.3
336.83456	3.4
337.14191	3.7
343.22540	4.8
385.23700	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	385.2372
Annotation	Ethynodiol diacetate
Peak:m/z	Relative Intensity
64.59953	1.6
67.05480	2.4
69.07059	3.5
74.79634	1.6
79.05483	3.2
81.07051	7.8
83.08630	3.8
91.05443	4.0
93.07045	9.1
93.60096	1.7
95.08598	10.0
105.07043	20.5
107.08587	10.7
109.10162	9.3
117.07005	3.5
119.08580	18.6
121.10127	9.2
123.11747	2.2
125.26291	1.7
131.08536	11.7
133.10121	26.3
139.59993	1.6
143.08546	10.3
145.10123	20.0
147.11693	6.8
155.08553	9.8
157.10110	12.1
159.11699	12.0
161.09668	2.3
163.11188	2.3
167.08574	4.0
169.10127	14.1
171.11671	11.3
173.13264	8.8
181.10081	14.8
183.11763	12.6
185.13274	3.6
193.10107	2.5
194.10797	6.4
195.11650	20.4
195.13339	2.3
197.13295	12.7
199.14819	1.9
208.12469	2.9
209.13255	27.9
221.13365	1.9
222.14053	6.8
223.14786	22.9
233.36049	1.7
237.16440	6.8
239.18022	9.5
250.17111	3.4
265.19492	100.0
283.20511	41.2
325.21533	24.4
343.22681	14.4
385.23691	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	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
67.05489	8.6
75.92785	2.1
79.05478	5.3
81.07061	12.3
81.33698	2.0
83.01765	2.3
88.11698	2.2
91.05479	14.0
93.07043	24.7
95.04980	4.7
95.08604	17.1
105.07025	32.2
107.08581	23.9
109.10162	11.8
117.07021	20.6
119.08582	53.5
121.10141	15.0
129.06963	2.6
130.07750	3.1
131.08543	17.1
131.29128	2.3
133.10127	100.0
135.08070	2.3
142.07828	2.7
143.08574	19.5
145.10110	76.2
145.11185	3.3
147.11679	12.5
155.08528	5.1
157.10107	28.0
159.11713	17.8
163.11157	11.1
165.06856	2.5
167.08607	9.6
168.09319	4.4
169.10127	16.0
170.10970	2.3
171.11702	18.1
173.13297	4.2
179.08557	4.5
181.10069	19.1
182.10840	2.9
183.11621	17.9
185.13306	9.5
188.43323	2.8
193.10193	3.9
194.10931	10.4
195.08911	2.4
195.11734	23.4
197.13202	16.0
208.12483	11.2
209.13278	34.6
223.14792	25.7
237.16452	9.5
265.19507	69.1
283.20547	8.1
325.21613	5.2
385.23560	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	385.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	5.9
74.99290	3.0
79.05482	7.5
81.07039	19.9
81.11371	3.7
89.37665	3.2
91.05470	17.1
93.07057	36.9
95.04961	14.7
95.08595	26.8
100.84467	3.5
105.07039	41.0
107.08569	25.2
109.10129	14.5
111.08085	5.1
117.06988	18.5
119.08585	60.8
121.10170	19.1
130.07776	8.3
131.08543	18.1
133.10133	100.0
135.11671	4.0
143.08557	22.2
145.10117	81.5
147.08031	5.3
147.11700	15.2
155.08585	14.1
156.09346	4.4
157.10149	30.0
159.11662	26.1
161.13333	3.5
163.11241	4.2
167.08464	4.9
169.10175	31.6
171.11697	34.0
173.13251	8.4
181.10136	14.6
183.11676	24.4
185.13232	15.8
193.10085	7.0
194.10965	7.2
195.11691	34.2
197.13290	17.1
207.11684	8.2
208.12492	14.1
209.13274	41.2
211.14822	5.2
221.13275	4.1
222.14098	3.6
223.14722	33.0
225.16319	5.5
227.14529	4.2
235.14854	4.2
250.17110	6.2
265.19519	93.1
267.17453	5.1
283.20636	24.3
325.21735	27.0
343.22812	5.3
385.23581	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	385.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02335	2.6
57.70517	2.8
63.42483	3.2
64.24762	2.9
66.02921	2.8
67.05498	5.4
79.05482	5.6
81.07047	17.0
84.90398	2.6
91.05469	20.3
93.07046	25.4
95.04964	5.7
95.08597	13.6
105.07018	29.6
105.07619	3.4
107.08588	24.1
109.10182	11.8
117.07001	18.7
119.08569	61.6
121.10115	17.5
129.06972	6.9
130.07782	12.7
131.08560	14.5
133.10120	100.0
143.08543	16.6
145.10117	92.7
147.11649	7.3
155.08574	6.7
156.09381	4.3
157.10110	22.1
159.11702	23.5
161.09566	4.9
163.11166	17.4
167.08495	6.9
169.10112	19.5
171.11679	23.6
173.13260	4.1
179.08568	6.2
180.09248	3.6
181.10098	16.4
183.11699	13.4
194.10912	6.4
195.11662	19.9
197.13287	14.6
206.01436	3.5
208.12511	13.6
209.13225	38.9
223.14810	32.0
235.14798	4.7
249.22069	3.3
265.19485	76.8
283.20352	3.8
325.21332	3.6
385.16876	4.9
385.23654	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	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.9
55.05508	21.3
57.03424	39.2
57.07082	5.7
66.18964	5.0
67.05507	91.6
69.07056	21.4
71.04987	5.3
78.43364	4.7
79.05488	56.5
80.06329	4.5
81.07050	85.6
83.08606	24.0
89.64243	4.6
91.05451	42.5
93.07043	75.2
95.04962	6.3
95.08596	54.1
97.06504	7.7
97.10157	5.5
105.07014	27.0
107.08580	30.2
109.10137	47.3
116.04694	20.9
117.07012	10.9
119.08555	25.9
121.10126	26.3
129.05467	66.3
131.08595	7.8
133.10144	26.4
143.07034	17.8
147.11658	7.3
159.11774	4.6
185.11729	9.5
229.14362	23.2
264.34567	5.1
269.17441	22.8
281.05048	4.8
283.09567	4.8
309.20639	22.3
385.25751	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	385.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17714	1.8
55.05502	12.5
57.03439	17.1
57.07078	21.8
62.06136	1.5
67.05491	10.8
69.06724	2.3
69.07072	35.1
71.08636	13.5
79.05486	3.2
81.07069	13.9
81.21729	2.0
81.64636	2.0
83.04993	1.7
83.08623	34.1
85.10173	9.8
89.73729	1.9
91.15004	1.8
93.07021	4.7
95.08610	13.5
97.06519	2.5
97.10163	20.5
107.08567	8.5
109.10133	8.4
111.11707	3.0
121.10126	10.4
122.56944	1.8
123.11720	2.2
126.61768	1.8
135.11714	9.8
149.13300	2.9
153.12680	1.9
285.26782	2.5
293.28534	6.4
347.65430	2.0
367.32111	10.8
385.29047	5.0
385.33124	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	386.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49927	0.6
53.03947	1.1
57.03436	0.8
69.03429	9.2
71.05023	0.8
71.61529	0.7
75.77440	0.7
78.03445	6.2
81.03422	19.5
85.02905	10.2
97.02889	6.5
99.04453	3.0
101.06023	7.3
102.91936	0.7
106.02917	57.9
109.02885	18.0
110.07159	1.3
122.40190	0.8
124.03947	100.0
125.03415	0.7
127.03917	6.7
137.32680	0.6
205.12340	0.9
206.12529	1.1
207.13742	0.8
224.09666	1.7
224.13492	0.9
232.05925	1.2
250.07051	18.1
268.08139	55.4
304.08719	0.7
370.11008	0.8
380.53714	0.8
381.61557	0.8
386.14410	25.6
386.18704	2.4
386.22913	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	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18727	0.9
51.41050	0.7
53.03953	1.8
55.05502	1.0
55.14264	0.7
57.03429	1.4
59.05000	1.0
69.03422	4.4
71.04992	5.9
75.04496	1.0
75.40633	0.9
81.03423	46.0
83.04974	4.0
85.02900	8.3
88.27316	0.9
91.05479	30.5
94.78265	0.8
97.02896	5.6
99.04444	6.1
109.02884	40.9
113.05993	3.6
119.04939	8.5
124.03955	56.5
126.60379	1.0
127.03919	8.6
128.49481	0.8
134.09657	59.4
141.05457	3.1
145.04926	3.1
148.11177	0.9
164.10739	1.3
177.94629	0.9
187.06000	1.5
206.15408	1.7
210.11234	11.1
245.10278	1.3
386.18112	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	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87322	0.6
55.24814	0.6
58.06587	1.3
61.02932	1.7
62.06107	0.7
69.03431	5.8
73.02940	0.8
81.03434	1.5
82.10278	0.6
85.02908	15.1
87.04463	1.1
91.05489	1.1
97.02902	4.6
102.77290	0.7
103.05437	0.9
105.07027	3.9
109.02887	1.2
112.58873	0.8
112.89829	0.7
114.89006	0.8
120.08113	12.0
127.03919	2.8
131.04924	3.5
132.08104	3.4
140.97874	0.7
145.04947	0.8
160.11209	69.8
167.86948	0.9
178.12267	82.8
206.08768	0.8
206.11763	17.1
224.12808	100.0
350.16052	1.0
386.18106	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52613	4.8
55.05507	6.0
57.07073	10.2
60.89715	5.9
63.60219	7.6
67.05506	9.9
67.22485	5.8
69.07072	6.3
71.08633	9.1
74.26056	5.8
78.32229	5.5
79.05502	6.8
79.89145	6.2
81.07032	14.3
83.04974	7.3
83.08628	24.4
85.10164	7.4
93.07031	12.1
95.08616	7.0
97.10163	9.9
109.10168	7.7
157.84718	7.6
165.12744	8.2
183.13763	7.2
209.46744	6.5
211.17084	6.9
323.29401	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	387.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50151	0.6
101.00890	8.5
119.01912	10.5
137.52489	0.8
139.02419	4.1
143.01880	6.9
145.03464	2.9
157.03447	19.1
157.04730	0.9
161.02940	3.4
163.04498	4.1
171.04999	0.8
175.04469	6.3
181.05597	0.9
183.65813	0.6
205.05513	16.4
205.07190	0.9
223.06622	67.3
241.07658	5.9
265.07651	15.8
277.07587	1.0
279.09311	16.6
316.20084	0.6
326.95340	0.9
387.13446	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	387.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07314	1.4
65.84711	1.4
71.29154	1.4
73.12483	1.3
81.89687	1.7
85.84102	1.5
91.44968	1.4
108.36015	1.6
115.14871	1.4
121.10172	1.6
123.04423	1.5
125.09657	1.4
151.07480	3.1
165.39943	1.5
166.21786	1.5
167.06984	1.9
175.07590	1.8
234.99141	2.0
304.56149	1.4
360.85355	1.6
387.14108	100.0
387.18356	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.58542	0.3
62.53336	0.3
72.07669	0.3
81.07051	0.7
82.85241	0.4
93.00751	0.4
94.04179	1.4
103.40417	0.3
109.06488	1.6
118.45198	0.4
122.03629	3.0
137.05978	100.0
165.05411	0.5
167.07031	3.4
173.06017	1.7
175.07561	0.4
179.62328	0.3
187.07565	0.6
190.06190	0.6
205.08620	1.7
207.06519	0.6
217.08607	0.5
249.09029	0.5
263.09073	5.6
274.01779	0.3
274.95410	0.3
277.08530	1.2
277.44400	0.3
309.11261	0.7
345.48044	0.4
369.13455	2.1
387.14438	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	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01600	0.8
69.03412	2.0
69.36250	0.9
73.97192	0.8
85.02889	3.9
93.07027	3.4
94.63396	0.8
107.08579	6.7
115.78136	0.9
117.37843	0.9
119.08582	3.3
121.10134	2.9
123.08029	3.0
124.42529	0.9
131.08562	1.1
135.08018	1.6
135.11662	4.0
137.09575	3.0
145.10042	0.9
147.07977	1.0
147.11653	1.4
149.09576	1.3
161.09590	1.1
161.13263	3.3
162.44629	0.8
163.11143	1.4
165.09128	2.0
167.10634	0.9
171.11565	1.0
174.29935	0.8
177.12634	1.5
181.12206	4.0
189.12733	3.5
195.13777	1.0
207.13776	5.9
225.10950	100.0
225.14801	11.4
369.94864	0.8
387.16217	62.4
387.20090	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	387.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53478	0.6
58.79782	0.6
64.63560	0.5
69.03417	2.5
71.10239	0.5
78.88798	0.6
79.05534	0.8
80.83762	0.6
81.03412	0.8
85.02906	6.2
86.09691	1.2
93.07098	0.7
95.04967	39.9
97.02898	0.6
99.04487	1.1
105.07030	0.7
106.02936	0.8
107.04971	0.9
107.08572	0.8
119.08558	0.9
121.10066	0.8
124.03924	1.0
125.04331	0.8
147.11708	1.2
153.09088	10.9
163.11171	0.9
167.07008	11.3
179.06770	0.7
207.10181	1.2
207.13823	4.0
225.14799	9.2
263.13962	0.8
325.16162	13.1
387.16269	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	387.18
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
55.01859	3.1
64.29689	1.6
66.55605	1.7
67.05504	2.4
69.03409	2.3
71.10294	1.6
71.41460	1.7
72.67010	1.9
74.50745	1.8
79.05497	4.2
81.03403	2.3
81.07030	7.6
91.05479	14.5
91.93582	1.9
92.18520	3.8
93.06607	1.6
93.07042	30.7
94.67056	1.7
95.04961	21.7
95.08601	8.7
97.06487	3.3
97.55847	1.7
105.07043	24.9
106.56733	1.9
107.04950	4.2
107.08598	2.8
109.06531	20.4
117.07026	2.5
119.04898	2.6
119.08568	16.8
121.06481	27.2
121.10122	10.8
123.04411	4.6
123.08033	3.8
125.05953	1.8
131.08563	13.4
133.06477	17.9
133.10126	42.1
135.08064	3.8
137.05968	7.3
137.15318	1.9
139.07532	3.2
143.08516	4.7
145.10091	9.5
147.08017	3.8
149.05963	18.4
149.09607	4.6
151.07536	14.8
156.09291	1.9
157.10126	4.0
159.08028	19.3
160.08911	2.1
161.09586	54.3
167.06996	4.4
169.10095	8.6
171.08046	3.7
171.11665	7.3
173.09607	4.3
177.05399	4.6
177.09000	2.1
179.08502	4.6
181.10056	3.3
183.08057	2.1
183.11664	8.4
185.09590	2.7
186.10272	2.4
187.11220	13.1
193.10091	7.6
194.10840	3.0
195.06497	3.9
195.11699	2.5
197.09590	3.5
203.10596	3.6
206.10849	3.0
207.11681	8.4
209.09706	2.6
209.13248	4.8
211.11223	9.5
213.12827	2.6
219.11656	2.1
220.12495	3.2
221.13231	3.6
223.11081	7.6
225.12737	4.0
227.14297	2.7
229.12238	3.2
230.10878	2.8
233.09760	2.3
235.14793	9.4
237.12759	9.1
245.13274	2.0
248.12025	2.2
249.12651	2.1
253.15851	4.4
255.13626	2.9
263.14230	12.0
265.12149	4.1
281.15125	13.3
283.13147	2.3
291.13895	7.7
299.16431	4.1
309.14725	19.6
317.29834	2.1
327.15909	26.0
345.16821	13.4
369.17206	6.7
387.17957	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	387.18
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
55.05497	2.1
55.67138	1.5
63.50642	1.6
67.05495	2.7
69.03426	2.5
69.76321	1.6
79.05452	4.4
81.07061	2.3
83.04928	1.7
91.05459	8.4
93.07025	20.5
95.04942	3.9
95.08578	7.6
100.49164	1.8
105.07021	19.6
107.04970	1.9
107.08572	7.5
109.06493	8.6
117.06927	2.4
119.04962	2.4
119.08546	7.9
121.06488	17.4
121.10115	9.1
123.08082	7.0
129.06995	2.8
131.08531	7.8
133.06482	12.7
133.10149	20.8
133.11049	2.4
135.08026	7.6
143.08496	5.9
145.06461	2.6
145.10117	3.2
147.08017	10.5
149.05969	7.8
149.09618	12.4
151.07507	2.8
155.08554	2.8
157.10136	4.2
159.08047	11.7
159.11694	2.2
161.09648	22.3
165.09047	2.6
168.09309	1.9
169.10156	9.6
171.08052	2.6
171.11743	1.9
173.09619	9.8
175.07513	8.5
177.09006	4.3
181.10146	2.4
183.11729	4.0
185.09590	10.3
187.07582	2.6
187.11224	7.2
189.09125	3.1
193.10161	6.8
195.11679	3.0
197.09601	4.4
197.13319	3.9
199.11176	3.8
205.10074	3.3
207.11812	3.3
209.09631	3.2
209.13179	2.8
211.11096	12.9
211.14691	2.0
213.12779	3.5
215.10641	4.6
220.12489	8.0
221.13318	4.2
223.11131	3.9
225.09012	2.6
225.12808	3.2
227.10695	2.3
227.96822	1.9
229.12257	4.0
235.14816	12.6
237.12692	8.4
239.10687	4.1
239.14206	7.7
241.12370	2.6
245.13394	3.2
248.11871	4.1
249.12599	2.4
253.15941	9.2
255.13885	2.9
263.14246	14.5
265.12509	2.9
267.13892	3.1
271.16977	2.3
271.46896	2.1
281.15417	13.7
283.13272	7.2
285.14713	1.9
291.13800	4.6
299.16367	15.4
309.14661	21.6
327.15945	36.7
345.16965	16.5
369.16946	2.9
387.18002	100.0
387.23059	3.4
412.01364	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	387.1802
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
52.37370	1.7
55.01870	1.8
66.33037	1.8
66.94601	1.6
67.05504	3.5
69.03440	3.9
75.25347	1.8
79.05486	3.5
81.07060	3.9
85.95158	1.8
91.05473	10.1
93.07030	11.8
95.04947	4.0
95.08590	4.2
100.66014	2.0
105.07040	12.2
107.04945	2.9
107.08597	7.8
109.06499	3.1
117.07011	2.5
119.08598	4.3
121.06506	13.5
121.10133	12.2
123.08080	3.8
131.04945	3.6
131.08522	7.2
132.43614	1.9
133.06485	8.0
133.10152	10.2
135.08076	12.6
143.08519	2.9
145.06516	2.0
145.10117	3.5
147.08070	10.6
149.05977	7.3
149.09581	7.8
151.07526	2.7
157.06419	1.8
157.10146	3.3
159.08031	13.6
159.11688	2.8
161.05867	3.3
161.09567	20.2
168.09436	2.3
169.10075	2.3
171.07976	3.7
171.11719	2.4
173.09621	7.9
175.07574	8.4
177.09084	7.0
178.07559	2.0
179.07010	2.1
179.08551	1.8
181.10178	2.2
183.11716	4.0
185.09560	4.4
187.11234	4.3
189.09122	2.3
193.10114	3.9
195.11760	4.3
197.09599	2.6
197.13208	3.4
201.09094	2.2
206.10893	2.0
209.09590	7.0
209.13396	3.6
211.11165	7.3
213.12831	3.3
220.12317	2.1
221.13277	6.8
222.10336	3.0
223.11186	4.3
224.11841	2.1
225.12732	2.9
227.10800	3.1
229.12206	2.7
233.09714	2.1
235.14886	9.4
237.12746	7.3
239.10597	3.2
239.14302	3.9
243.14020	2.1
248.11900	6.4
249.12721	3.2
253.15907	3.7
255.13744	3.4
263.14258	16.4
267.13785	7.7
281.15347	11.5
285.14743	3.5
291.13803	11.3
299.16379	4.1
309.14761	24.0
327.15912	30.4
345.16956	10.9
369.16919	4.0
387.18011	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	387.18
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
64.42496	2.3
79.05490	2.7
81.07036	3.9
83.04971	2.9
91.05501	2.8
93.07033	5.0
95.04958	2.8
95.08609	3.5
105.07032	16.0
107.08583	4.7
109.06507	3.8
119.08573	9.0
121.06493	14.2
121.10141	5.7
123.08064	3.0
129.06963	2.8
131.08591	3.6
133.06476	10.0
133.10107	19.5
135.08028	4.8
143.08545	3.5
145.06517	4.2
145.10147	4.5
147.07985	2.8
149.05981	9.5
149.09595	5.7
151.07521	4.1
157.10072	3.0
158.91158	2.6
159.08005	17.4
161.06062	2.5
161.09642	17.1
167.07057	2.4
173.09509	4.0
177.09081	4.8
183.11697	3.7
185.09560	2.8
187.11177	4.2
195.11729	4.7
207.08061	3.1
209.09576	4.0
209.13243	3.7
211.11179	9.3
213.12796	3.2
221.09579	3.5
221.40050	2.9
223.11110	4.7
225.12766	4.7
237.12805	10.0
239.10818	3.0
239.14226	3.4
245.13225	3.0
248.11946	3.8
253.15938	3.3
255.13797	2.9
263.14255	16.0
265.12384	3.1
266.12857	2.9
267.13800	4.6
281.15421	15.0
291.13602	7.9
297.14969	3.0
307.09930	2.7
309.14749	19.1
327.15839	33.1
345.16956	4.8
369.16806	4.2
387.17978	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	387.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
57.07082	14.4
68.02991	1.0
69.44763	0.9
70.94578	0.8
71.04992	15.6
83.04990	21.1
91.05505	1.4
92.18006	1.0
101.06028	6.0
107.08601	1.1
133.10146	1.9
147.08115	1.1
147.11635	1.2
161.09657	1.2
175.01556	100.0
181.02568	1.1
227.04709	5.6
231.07848	6.5
235.14758	1.1
273.43387	0.9
275.06824	10.3
327.15836	2.2
331.13043	67.1
387.19247	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
50.11684	3.1
58.45772	3.0
63.62079	3.3
67.05513	8.3
67.50964	3.3
70.73544	2.9
85.06539	15.6
93.07082	3.5
95.08602	100.0
104.29664	3.7
107.08597	8.1
111.31131	3.4
113.06005	6.5
119.08569	14.9
123.08074	39.3
125.01798	4.1
135.11697	16.5
147.11705	5.2
149.09616	41.9
156.10030	3.9
158.15889	3.4
161.13251	16.0
163.11139	4.7
165.12811	12.4
184.55869	3.3
189.12788	6.5
193.66058	3.3
207.13808	53.7
215.84589	3.8
233.91418	4.1
353.25150	4.0
387.16226	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41565	0.6
61.02914	1.0
69.03417	4.5
71.04972	1.2
81.03424	1.4
81.07046	1.3
85.02912	9.7
85.32208	0.7
87.04469	1.0
91.05466	1.8
93.07035	4.3
95.04991	1.3
95.08586	1.0
97.02877	3.6
99.04441	1.2
105.07015	3.2
105.55019	0.8
107.05606	0.7
107.08587	13.0
109.06536	1.6
109.10166	1.4
110.92501	0.9
119.08572	4.6
121.10103	7.0
123.08048	1.4
127.03934	1.7
128.26151	0.8
131.08554	3.2
133.10071	1.3
135.08038	1.7
135.11656	4.4
137.09621	3.9
145.05019	1.2
145.10112	1.5
147.04404	1.6
147.08095	1.1
147.11662	4.6
149.09645	1.5
149.13220	1.2
151.03827	1.2
156.72731	0.8
159.11707	1.1
161.13269	5.1
163.11130	3.7
165.09109	3.1
167.10689	1.5
177.12724	3.4
181.12209	4.7
189.12764	4.3
195.13884	1.7
196.77245	0.8
203.05299	8.4
204.91385	0.8
207.09941	4.2
207.13776	8.1
225.11017	13.4
225.14789	19.4
296.98438	0.9
297.54626	0.8
343.17325	10.2
387.16248	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	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.30547	1.5
54.49911	1.3
59.04993	9.0
67.05508	1.8
69.03428	11.5
69.07050	2.2
71.05002	2.4
78.45306	1.4
81.03416	2.5
81.07063	35.6
83.04980	1.7
83.08607	2.4
85.02913	21.0
87.04459	3.4
93.07050	2.7
95.08587	9.9
97.02897	10.2
97.06532	6.1
99.04446	2.5
107.08600	7.2
107.97697	1.5
109.06489	3.5
109.10145	6.4
109.90774	1.7
111.04442	1.6
111.08073	1.9
115.07535	2.5
119.08585	2.9
121.06506	2.4
121.10131	24.7
123.04458	3.1
123.08096	10.4
125.05978	9.2
125.09693	2.0
127.77148	1.4
135.04381	2.0
135.11688	7.5
137.06039	2.3
137.09612	24.7
139.03940	2.7
139.11194	38.9
141.05438	2.8
141.09129	1.7
143.08574	2.2
147.11697	2.3
149.09587	3.3
151.07532	1.9
153.09064	3.2
155.10612	1.5
163.03897	3.4
163.11176	7.2
165.09100	6.8
167.10658	3.5
181.12233	23.8
183.10150	2.4
189.09151	1.7
189.12682	2.0
207.13773	16.3
210.47795	1.8
225.14838	100.0
279.57837	1.6
302.18372	2.2
324.16971	2.0
387.20294	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46218	0.8
55.05512	4.0
57.07077	12.4
69.07076	1.2
71.04996	18.2
81.07073	1.2
83.04982	23.6
95.04960	1.1
97.06534	2.1
101.06010	7.2
107.08563	1.1
113.05997	1.0
119.08580	1.3
121.06518	1.3
121.10173	1.3
131.04947	1.1
131.08583	1.1
133.10178	1.9
135.08055	2.3
135.11784	1.0
145.06470	11.5
147.08058	4.2
147.11691	3.8
155.08582	1.7
157.10132	1.7
159.11751	3.6
163.07556	10.8
169.10158	4.5
171.11665	2.0
175.01555	100.0
181.02638	1.1
181.10210	1.1
181.36623	0.9
183.11676	4.6
189.09070	1.1
193.10126	1.2
195.11713	1.3
195.57584	1.1
197.09625	1.5
197.13315	4.7
207.11702	5.7
211.11139	2.2
211.14841	1.3
225.12732	2.4
227.04727	4.2
231.07845	7.2
239.14301	4.1
239.17952	6.3
243.07867	0.9
249.16310	4.2
257.18967	1.2
267.17395	14.0
275.06796	14.4
285.15271	1.0
285.18506	6.3
323.88275	1.0
327.19580	10.2
331.13052	57.2
345.20700	1.2
381.38788	1.0
387.18893	41.8
409.55777	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	387.2166
Annotation	21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione
Peak:m/z	Relative Intensity
57.07063	3.5
59.05651	2.9
60.47663	3.0
62.50858	3.4
67.05492	5.0
69.07055	4.7
81.07044	19.2
92.18452	5.4
93.07013	5.1
95.08595	8.0
97.06509	15.1
98.64476	4.8
100.53935	3.7
105.07033	16.1
107.08573	5.2
109.06517	4.8
109.10201	4.5
111.08057	4.5
113.05988	22.0
117.07033	5.9
118.32180	3.8
119.08574	18.2
121.06513	13.1
121.10150	3.7
123.08035	7.5
129.06992	14.0
130.71512	3.5
131.04932	3.5
131.08549	6.1
133.10141	6.9
135.08060	15.6
135.11646	5.2
143.08546	12.3
145.06482	77.5
145.10088	16.2
147.08063	35.9
155.08476	5.5
156.09331	4.9
157.10112	23.8
159.11667	18.1
163.07524	74.8
165.09090	4.9
167.08553	4.0
169.10059	24.9
171.11673	19.1
173.09633	6.4
181.10161	4.5
183.10245	3.7
183.11661	30.6
189.09084	5.5
193.10120	8.3
195.11688	13.1
197.09604	16.1
197.13286	26.9
199.11147	5.7
199.14825	7.8
205.08586	7.3
207.11710	22.4
209.13268	12.9
211.11179	13.2
211.14841	7.2
213.12936	4.6
221.13263	4.1
223.14775	4.3
225.12685	26.4
234.14034	14.3
239.11792	4.3
239.14145	32.1
239.17860	48.1
249.16345	28.0
257.19012	13.3
267.17422	100.0
285.18341	45.2
327.19531	79.2
345.20743	12.4
356.00586	5.5
387.21552	89.0
387.25906	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06563	1.1
53.03946	1.2
53.27412	1.1
67.22908	1.1
69.03411	3.1
73.89590	1.3
77.99201	1.3
78.03428	1.7
80.94533	1.4
81.03415	14.5
84.35717	1.3
85.02914	10.9
85.06528	7.2
89.69585	1.2
91.05473	1.3
93.42099	1.1
96.04490	1.7
97.02874	2.8
106.02918	55.0
109.02886	11.7
115.71915	1.3
119.04939	5.8
124.03944	100.0
124.14692	1.2
124.96136	1.3
127.03890	4.8
144.67700	1.4
147.04404	30.3
188.89871	1.3
215.32930	1.4
250.07147	5.6
268.08133	54.8
269.26321	1.5
274.07712	1.8
363.70651	1.3
388.16034	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63394	0.6
53.15097	0.6
55.01878	1.0
57.03425	1.5
61.02927	7.4
62.24260	0.6
64.49995	0.8
69.03432	8.2
71.04974	1.3
73.02901	3.9
73.10008	0.8
81.03416	4.9
85.02908	100.0
87.04470	2.9
88.08959	0.7
89.36124	0.7
91.03944	5.7
93.18970	0.8
97.02885	23.3
99.04447	5.0
103.03963	0.9
109.02873	9.3
127.03915	27.7
145.04958	45.4
163.03885	0.8
163.05998	24.2
172.22760	0.8
203.17149	0.9
209.10199	11.4
226.07095	1.2
325.11328	4.8
331.09457	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	388.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56735	1.2
69.26157	1.1
70.26056	1.1
70.95647	1.0
81.25025	1.2
87.04441	5.0
89.06023	100.0
95.08570	1.3
96.04577	1.1
119.35776	1.1
133.08588	38.7
140.41602	1.4
140.83784	1.2
147.04361	1.7
177.11195	13.2
185.03667	1.1
208.14149	2.5
221.13716	2.2
226.15350	2.1
283.17450	2.2
327.19910	1.5
371.22739	85.1
388.16461	4.5
388.25485	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	389.123
Annotation	(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Peak:m/z	Relative Intensity
52.27172	0.4
55.01889	3.0
56.94776	0.4
65.03949	0.5
67.05450	0.4
67.62586	0.3
68.91348	0.4
89.98220	0.4
104.75451	0.4
105.07052	0.7
108.77491	0.4
112.20088	0.4
112.94053	0.5
115.05450	0.5
119.04930	2.9
131.04984	0.5
133.06514	2.3
137.05977	3.9
143.04926	6.3
147.04401	6.7
151.03900	100.0
151.04901	4.0
161.05943	3.9
165.09160	0.6
169.04930	0.6
175.07489	4.2
179.07007	6.5
191.06970	0.7
193.08595	13.3
219.06511	0.5
331.11469	0.8
361.12820	2.1
371.11102	5.2
389.06833	0.5
389.11984	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	389.1595
Annotation	Renealtin B
Peak:m/z	Relative Intensity
51.86264	0.8
55.84840	0.7
57.91356	0.9
66.94896	0.8
69.03430	1.0
78.12722	0.8
79.05497	0.8
81.07082	1.2
88.25819	0.8
91.05444	1.2
93.07007	1.3
95.08607	2.0
103.05460	7.4
105.07027	1.6
107.04945	2.2
109.10168	1.2
119.08639	1.1
121.06469	1.5
123.04420	2.1
131.04924	39.6
133.06514	1.7
135.11719	0.9
137.04987	1.8
137.05980	36.9
145.06462	1.3
147.04396	1.4
149.09537	0.9
151.03885	4.0
151.07498	1.5
152.04700	1.5
161.05937	1.2
161.09583	1.0
163.07550	14.4
165.05470	1.3
167.07021	100.0
175.07530	5.6
177.05457	1.0
181.08588	1.3
187.07582	1.8
189.09163	1.3
193.15868	1.6
205.08656	1.4
207.06543	4.6
207.10193	1.3
209.08040	3.6
221.08092	1.4
227.16423	1.1
234.04025	0.9
235.09622	2.0
244.11868	1.1
247.09753	1.2
253.10696	1.2
261.09103	4.2
273.12213	4.2
278.09299	1.3
289.08768	1.5
293.11713	2.0
306.08859	1.0
321.11243	4.3
322.12076	1.3
353.13977	4.6
357.18253	1.7
357.83127	1.0
371.14825	41.4
379.03424	1.0
389.15854	22.9
389.20273	5.6
414.25174	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	389.1594
Annotation	Renealtin A
Peak:m/z	Relative Intensity
67.05482	1.3
72.21017	1.2
75.46157	1.1
81.07056	1.2
92.17869	2.9
93.92758	1.1
95.04965	1.6
97.06504	4.7
109.02859	2.1
119.04953	2.3
123.04421	100.0
133.06448	1.4
139.03912	29.8
147.04390	32.7
151.03906	39.5
151.07732	1.1
161.06027	10.8
163.03883	5.9
165.05460	27.5
173.05977	15.3
177.05487	16.0
179.07033	5.0
180.79436	1.4
181.04927	4.9
181.08623	2.0
189.05446	2.9
191.07042	6.7
193.04927	2.3
193.08597	71.5
193.10362	2.3
203.07039	1.8
205.04791	1.3
205.08577	5.1
207.06526	20.1
219.10167	24.3
231.10368	1.7
237.11130	11.4
246.97818	1.2
249.07539	1.4
249.11079	1.6
285.07593	5.8
291.08673	6.9
293.09155	5.1
303.08527	10.3
327.12308	2.7
329.10162	14.3
339.09567	1.7
345.13342	18.4
353.13870	6.6
371.14865	23.5
389.15933	53.9
389.19495	2.4
404.82928	1.3
411.72003	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	389.1594
Annotation	Renealtin B
Peak:m/z	Relative Intensity
52.24921	1.3
55.01879	1.3
69.37646	1.3
76.58221	1.6
78.50977	1.2
95.08646	1.4
97.06549	1.9
103.59611	1.3
105.03339	1.6
106.06399	1.3
119.04914	3.5
123.04420	100.0
139.03885	30.0
140.77147	1.6
143.04910	1.5
147.04407	33.3
151.03894	44.3
161.05981	10.7
163.03905	8.7
165.05463	28.2
169.04922	2.5
171.52881	1.4
173.05989	9.8
176.04549	1.8
177.05452	17.6
179.07024	5.6
181.04984	2.8
181.08627	1.4
189.05400	2.3
191.06999	3.2
193.08589	64.7
205.08583	5.8
207.06526	22.9
219.10164	19.1
223.09741	2.8
237.11203	8.1
238.02322	1.6
249.07529	2.5
249.11131	2.3
285.07416	7.0
291.08710	1.6
303.08731	11.1
327.12393	1.7
329.10211	9.0
345.13373	19.2
353.13876	6.2
366.47446	1.8
371.14917	26.1
389.15796	48.2
389.20294	3.1
409.54828	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	389.1595
Annotation	Renealtin B
Peak:m/z	Relative Intensity
56.06039	1.2
58.47436	1.4
68.97327	1.3
69.07075	2.0
85.02901	1.7
92.67454	1.3
93.07023	2.6
95.04974	2.6
95.08616	2.1
97.06508	2.8
105.07077	1.8
107.08557	1.6
117.07052	1.6
119.04919	5.4
121.10165	1.6
122.04971	1.6
123.04420	100.0
123.05316	3.2
123.08054	2.0
127.03850	1.9
133.10193	2.2
135.04401	2.7
137.05957	3.1
137.09590	1.6
139.03920	34.5
139.04942	3.0
147.04396	34.3
149.09676	2.1
151.03908	42.8
153.05515	1.6
161.05899	10.5
163.03893	7.6
165.05476	35.5
167.07048	2.4
173.06001	17.6
177.05469	20.4
179.07063	3.2
181.04974	6.0
181.08563	3.4
189.05554	2.9
189.27390	1.5
191.07037	6.8
193.04944	2.0
193.08594	71.6
203.06853	2.2
205.08609	6.8
207.06506	18.0
219.10143	19.3
223.09529	1.8
227.16306	2.2
237.11057	8.7
249.11143	2.2
265.09680	24.8
267.11282	17.1
278.07104	1.8
280.08386	3.5
285.07605	5.8
286.15720	6.8
291.08536	2.2
293.09195	72.3
295.10742	15.9
303.08594	9.2
311.09601	7.1
321.08612	39.6
327.12292	2.4
329.10187	14.3
329.17416	2.5
339.09741	34.7
345.13318	20.7
353.13892	8.4
371.15063	20.9
389.13379	54.1
389.15988	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46866	2.0
53.99118	2.2
57.03428	4.0
57.16648	2.4
62.48763	2.6
62.74067	2.1
69.03416	5.4
71.04988	5.5
81.02980	4.7
81.03422	87.3
85.02886	16.2
99.04472	9.9
109.02880	100.0
120.07307	2.4
127.03912	13.9
128.10689	4.7
140.10654	9.6
141.05524	3.3
143.00092	3.2
158.99605	3.1
176.02576	3.1
195.08607	53.9
196.04172	2.5
212.74774	2.8
234.04959	21.9
236.06635	3.2
243.05504	18.0
250.03944	3.3
251.04407	15.3
269.05359	20.6
290.46747	2.9
292.04822	3.8
292.07755	3.7
301.06317	3.4
369.10095	2.6
389.04034	5.3
389.04980	5.2
389.08655	24.0
389.22949	4.7
391.61447	3.2
402.87454	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	389.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67030	1.9
55.26450	1.9
57.03448	2.1
57.36105	2.1
63.53391	1.8
69.03414	4.3
71.04980	4.6
76.85912	2.3
81.03416	90.0
85.02896	10.9
92.18461	2.9
99.04449	4.2
109.02880	100.0
113.06010	2.6
127.03928	9.8
140.10707	2.7
141.05463	3.9
156.54652	2.5
157.03467	2.8
159.06448	3.2
169.03471	4.3
172.03090	2.9
195.08620	60.5
213.00552	2.5
243.05487	4.4
251.04413	13.3
269.05414	14.5
292.07455	9.0
309.97614	2.2
363.05539	2.2
371.08185	3.7
389.08517	23.3
403.76556	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	389.1779
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
50.49549	0.3
56.59031	0.3
57.18554	0.3
65.64371	0.3
91.97704	0.4
122.91444	0.5
134.95479	0.4
203.05321	0.5
207.64259	0.4
209.11467	3.3
227.12556	5.2
227.48697	0.4
293.30017	0.4
389.17786	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	389.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40700	0.5
61.57243	0.5
61.73481	0.6
96.65317	0.7
121.10096	0.8
247.09512	1.4
329.17569	1.2
347.18567	1.4
375.97781	0.7
389.19345	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	389.1958
Annotation	Maoecrystal B
Peak:m/z	Relative Intensity
52.25246	1.9
67.05519	2.1
69.03433	3.5
71.76962	2.3
79.05508	2.5
81.03420	2.9
83.04967	3.6
83.81236	2.2
89.00673	2.0
91.05486	4.2
93.07040	14.1
95.04973	18.1
95.08590	5.5
97.06534	3.2
105.07026	20.2
109.06531	9.6
111.08054	3.4
119.08578	9.7
121.06503	15.5
121.10109	5.7
123.08064	5.7
131.04865	3.2
131.08553	4.5
133.06442	13.6
133.10135	17.3
135.04413	3.7
135.08119	3.2
137.05994	5.1
143.08559	5.8
145.10106	5.3
147.11656	4.6
149.06004	11.3
155.08531	3.7
157.10136	9.9
159.08034	3.8
161.09602	14.4
165.06960	2.2
167.07068	12.8
169.10077	4.2
171.11656	12.6
173.09619	5.8
177.05486	11.2
181.10095	10.9
183.11731	4.7
185.09663	5.5
185.13292	2.9
187.11258	2.8
189.12747	5.5
192.09277	2.3
195.11670	9.5
197.09673	3.8
197.13275	5.9
199.11223	20.3
202.05341	2.3
207.11746	4.3
209.09599	10.4
209.13269	3.1
210.21696	2.3
213.12727	10.9
215.14343	12.4
217.12273	3.3
219.36673	2.4
223.14912	2.6
225.12755	3.5
227.10741	4.7
232.12820	3.7
237.16466	4.2
239.14236	3.8
243.13892	4.0
247.14809	4.4
255.17400	3.8
265.15884	9.4
267.13730	5.3
283.16940	17.1
288.71442	2.5
291.61029	2.8
293.15259	4.8
311.16461	25.9
329.17365	48.6
371.18674	5.8
389.19540	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	389.1954
Annotation	Isodoacetal
Peak:m/z	Relative Intensity
51.03701	1.4
52.17567	1.6
55.05513	1.9
65.85437	1.8
67.05506	1.7
69.03426	7.4
69.07031	2.5
71.05011	2.5
79.05487	2.2
80.17258	2.1
80.57168	1.5
80.87417	1.5
81.03426	2.9
81.07059	2.6
83.04991	3.3
85.85812	1.5
91.05487	3.5
93.07051	8.7
93.45448	1.9
95.04963	7.9
95.08598	9.5
97.01313	2.1
105.07026	14.2
107.04959	3.3
107.08579	10.5
109.06510	15.5
109.10136	2.5
112.40406	1.6
117.07027	3.8
119.08564	6.9
121.06474	8.4
121.10136	9.3
123.00788	1.7
123.08067	7.6
125.09663	2.8
125.49325	1.6
129.07014	2.2
131.08554	3.5
133.06480	16.2
133.10130	6.6
135.08057	7.8
137.06038	3.7
137.09566	3.0
143.08556	9.1
145.10104	9.3
147.08058	3.4
147.11674	3.1
149.05975	3.3
149.09590	9.7
151.07567	3.9
151.11214	2.4
155.08525	6.5
157.10159	13.9
159.08066	4.1
159.11661	3.9
161.05975	3.7
161.09628	3.7
165.06973	1.8
167.08514	2.4
169.10065	5.8
171.07962	3.5
171.11652	8.7
172.08580	1.7
173.09605	11.4
175.11171	6.0
177.09138	4.0
179.07065	3.2
181.10110	13.7
183.11713	4.0
185.09627	11.6
185.13278	6.7
187.11130	4.0
189.09071	1.9
189.12762	8.8
193.10110	2.3
195.11728	11.2
197.09645	3.8
197.13271	8.8
199.07466	1.8
199.11177	15.3
201.12608	2.3
205.10197	2.1
206.10768	2.5
207.11696	3.5
208.12483	3.0
209.09665	6.9
209.13290	2.5
210.10368	2.2
211.11157	6.9
211.14778	1.9
213.09181	2.0
213.12770	4.2
213.16512	2.4
215.14331	8.1
219.11769	2.0
221.13234	3.0
223.11099	2.1
225.12718	7.2
227.10655	4.0
229.12192	1.7
231.13837	1.8
237.12625	2.2
237.16368	7.4
239.14275	2.5
241.12169	6.4
241.15880	3.4
243.13731	3.9
253.15868	3.2
255.13849	3.8
255.17415	8.0
257.15424	6.8
265.15720	11.8
269.15347	7.0
271.17032	2.6
276.47867	1.8
281.15457	2.4
283.16815	16.3
287.16333	21.4
293.15451	2.9
299.16400	11.6
301.17935	7.0
311.16351	21.6
312.76794	1.9
329.17465	45.1
347.18661	9.1
355.78741	2.0
371.18582	10.5
389.19565	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	389.1957
Annotation	Maoecrystal B
Peak:m/z	Relative Intensity
53.94959	2.6
72.30922	2.7
83.05009	4.5
92.17827	7.0
93.07019	5.5
96.97894	2.8
97.06544	5.5
102.40670	3.1
105.07027	13.5
107.08643	3.8
107.39836	2.8
109.06521	12.3
119.08574	11.7
121.06490	14.7
121.10143	4.0
123.08018	3.7
131.08517	3.1
131.50887	2.7
133.06509	6.2
133.10143	13.3
135.04312	3.3
137.09586	3.7
143.08618	6.0
145.10101	11.5
147.08023	3.9
149.05937	3.5
156.09314	4.1
157.10117	12.0
161.09584	7.4
163.07587	3.4
163.11197	15.0
167.08531	5.9
169.10069	7.0
171.11674	14.3
173.09708	3.6
175.11157	4.6
179.08531	4.0
181.10107	19.0
183.11707	7.0
185.09573	6.6
185.13179	4.2
189.12698	4.8
191.10661	3.9
193.10178	4.0
195.11729	13.6
197.09599	5.5
197.13290	6.6
199.11227	17.7
207.11722	6.6
209.09590	6.1
209.13271	6.9
211.11259	4.7
213.12825	5.9
221.13177	5.6
222.14294	3.8
223.11140	5.9
223.14757	5.5
225.12685	7.3
227.10628	6.8
227.14250	5.3
237.16403	3.8
239.10602	3.1
239.14346	11.5
241.12122	4.3
251.14160	3.7
253.12175	5.5
255.17239	3.3
257.15369	5.0
265.15747	6.2
269.15292	4.8
271.13120	4.1
283.16885	15.5
285.14880	14.0
287.16321	5.7
293.15411	14.1
311.16357	23.8
329.17520	42.9
345.17023	25.8
347.18500	4.8
371.18643	5.4
389.19589	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	389.1956
Annotation	Isodoacetal
Peak:m/z	Relative Intensity
54.39544	2.1
54.45902	1.8
67.05489	2.8
69.07063	3.0
81.03449	3.2
81.07055	4.4
83.04970	3.8
91.05468	2.8
92.17839	3.5
93.07027	9.4
95.08572	3.7
97.65253	2.4
101.00947	2.0
105.03351	2.2
105.07014	10.2
107.08602	4.9
109.06480	3.2
121.06521	4.9
121.10176	4.2
123.08083	3.1
131.08585	2.9
133.06476	4.8
133.10147	3.6
135.08051	4.3
143.08591	9.0
145.10121	5.2
147.08034	2.4
149.05972	3.2
149.09613	5.5
151.07497	3.1
157.10143	17.4
159.08006	3.4
161.09583	3.8
163.11153	2.7
167.08575	5.1
169.10149	9.1
171.08064	3.2
171.11693	13.7
173.09604	8.9
173.13293	2.2
177.09137	8.8
181.08658	2.5
181.10080	20.0
183.08136	2.7
183.11673	11.2
185.09615	8.3
185.13260	2.8
187.11160	8.5
189.12784	2.3
192.09332	3.1
193.10109	8.7
194.10968	4.3
195.11693	13.1
197.09616	10.2
197.13339	10.4
199.11192	15.6
201.12758	3.8
204.09297	2.4
207.11690	5.0
208.12491	11.2
209.09569	5.0
209.13254	9.7
211.11226	4.7
211.14902	3.1
213.12721	3.6
217.12276	4.0
218.10893	2.6
220.12402	4.5
221.13165	4.0
222.14027	8.3
223.11197	3.3
223.14801	15.3
224.11998	2.9
225.12781	5.1
226.13606	2.8
227.10609	5.4
227.14568	2.6
232.12518	3.5
235.11169	4.8
235.14734	4.5
237.16313	5.0
239.14311	13.8
241.12231	5.2
241.15735	3.5
243.13852	3.6
247.14703	2.6
250.13365	7.4
251.14339	10.6
253.15868	11.0
255.17468	3.0
257.15286	3.1
263.14383	3.7
265.15900	23.0
267.13559	3.1
269.15369	5.4
281.15356	3.5
283.16785	18.6
285.14917	3.6
293.15408	12.8
305.08163	2.2
305.50116	2.4
311.16446	31.4
329.17456	18.5
347.18564	10.6
371.18668	9.2
389.19547	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	389.1956
Annotation	Maoecrystal B
Peak:m/z	Relative Intensity
53.61520	2.1
64.20551	2.1
65.90871	2.5
67.05486	3.3
81.07077	2.9
91.05484	3.8
92.17773	4.3
93.07010	10.3
95.04961	12.1
96.89650	2.8
98.26347	2.4
101.23319	2.4
105.07037	10.6
107.08590	4.7
109.06497	2.8
119.08630	3.2
121.06494	12.6
121.10154	4.0
123.08059	4.5
131.08556	3.7
133.06465	2.7
133.10112	9.6
135.07988	3.4
137.09563	3.2
137.72763	2.3
141.59967	2.3
143.08536	4.9
145.10083	9.8
147.08072	3.2
149.05956	3.3
149.09628	3.8
156.09302	2.7
157.10165	5.4
161.09645	14.7
163.07515	2.6
163.11165	6.0
166.07747	3.4
167.07126	2.7
167.08609	3.2
169.10138	10.4
170.10863	2.7
171.11674	15.3
173.09569	9.6
177.05446	3.3
181.10117	9.9
183.08025	3.2
183.11624	4.6
185.09717	2.6
189.12689	3.8
193.10143	2.4
195.11752	10.9
197.09621	3.2
197.13278	3.5
199.11194	16.3
207.11697	4.7
209.09654	5.2
209.13153	4.4
211.11174	2.8
213.12672	3.3
215.14279	11.7
221.13286	4.6
223.11128	3.5
223.14935	3.4
225.09016	3.1
225.12794	2.7
226.13577	3.5
227.10654	3.2
227.13937	2.7
231.14006	3.2
237.16249	2.5
239.14291	4.3
241.12242	3.5
243.13808	2.9
244.32283	2.5
251.14345	4.0
255.17319	3.3
257.15332	6.0
265.15848	4.1
267.13782	2.6
269.12122	2.9
269.15366	2.9
283.16989	11.7
285.14902	10.6
293.15237	3.8
311.16434	17.2
329.17447	47.4
341.39642	2.7
345.16931	20.1
371.18594	10.2
389.19537	100.0
392.29495	2.5
399.94440	2.3
400.35587	2.3
410.21201	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	389.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16049	0.5
56.05026	3.0
59.64370	0.5
62.50577	0.5
62.74277	0.7
69.03418	1.4
71.05000	6.0
81.03417	3.2
84.08151	7.4
84.71922	0.7
85.02901	5.6
86.09708	0.8
97.02866	1.4
100.07641	0.7
109.02873	1.3
110.06010	2.8
110.09685	7.1
112.07588	6.2
127.03939	2.3
128.10710	63.9
131.20406	0.7
138.09140	26.8
140.10704	100.0
141.30316	0.7
145.04982	0.7
157.13356	26.7
195.08601	0.8
219.15289	0.7
223.17201	0.6
227.14024	0.9
227.17523	25.7
259.59961	0.8
290.15970	11.1
389.22806	71.7
395.48416	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	389.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37587	0.6
53.56679	0.7
54.83810	0.6
60.58110	0.7
66.80917	0.7
67.05492	0.9
74.01118	0.7
79.05484	3.3
81.03439	1.1
81.07070	7.2
88.28730	0.7
91.05465	3.7
93.07033	5.4
95.04945	0.8
95.08602	4.6
101.73702	0.8
105.07028	7.3
105.95219	0.8
107.08598	19.4
109.06536	1.1
109.10159	4.2
117.07042	2.7
119.04945	4.2
119.08571	5.1
121.10117	1.4
123.11690	6.3
131.08601	0.9
133.06488	3.6
133.10112	5.4
135.08049	100.0
143.08540	1.3
145.06477	6.1
145.10139	3.0
147.08063	1.0
147.11693	0.8
157.10120	1.4
159.11696	1.0
161.09622	7.7
163.11151	4.7
179.10646	7.0
181.10010	0.9
193.10265	0.8
195.11809	1.0
197.13237	1.2
209.13081	0.9
223.14709	0.8
227.14258	1.0
241.16029	1.0
265.19537	1.8
283.20578	11.8
332.93076	0.7
389.26956	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	389.3049
Annotation	(+)-Desoxyscalarin
Peak:m/z	Relative Intensity
55.05508	10.0
57.07072	12.0
62.06192	1.7
67.05499	9.7
69.07072	32.3
70.75809	1.9
71.08621	4.6
73.57890	1.7
74.87166	1.7
81.07056	35.5
83.08614	24.5
92.40936	1.8
93.07035	8.6
93.92036	1.8
95.08605	37.3
97.10191	13.3
105.07060	3.9
107.08575	8.8
109.02855	10.1
109.10170	28.1
111.11747	8.6
121.10137	4.1
123.08106	2.5
123.11708	17.8
125.02342	9.6
127.03903	40.4
133.10243	2.5
133.37602	1.7
135.08029	3.0
135.11713	8.3
137.13231	12.0
139.03928	8.3
139.07544	3.2
149.09602	4.5
150.12408	2.0
151.07553	2.1
153.01880	2.6
153.05507	3.2
163.07567	2.4
167.07129	3.0
169.08525	2.7
177.09158	4.2
183.10207	3.7
195.10197	2.9
207.10118	1.8
209.11597	2.1
215.17961	2.4
216.95624	1.9
245.25482	2.3
249.14857	2.5
263.16428	4.6
305.35031	2.0
371.29440	10.9
389.30493	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	390.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.09899	0.4
57.86640	0.4
67.63905	0.5
69.03435	3.4
72.44437	0.4
78.03419	0.5
80.05034	0.5
81.03419	7.5
84.50117	0.4
85.02917	1.1
95.04978	0.6
97.02920	3.4
99.04469	1.7
105.03392	38.0
109.02887	3.7
123.04432	2.6
123.97968	0.5
124.03947	100.0
127.03911	3.0
145.04907	0.7
205.08810	0.5
221.74754	0.6
222.11208	0.8
235.90913	0.5
240.94150	0.5
249.07545	8.8
267.08640	3.0
328.47565	0.5
351.73480	0.5
385.91461	0.6
390.11530	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	390.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99027	0.4
53.03957	0.9
56.43789	0.4
77.03941	0.9
91.05479	0.9
91.36541	0.4
95.04959	3.6
105.03396	100.0
118.06536	10.9
122.06087	0.6
240.07767	1.0
240.10196	29.9
243.93759	0.4
268.09698	5.6
330.27237	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	390.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98334	0.3
53.03945	0.6
54.76606	0.2
54.81191	0.3
60.18023	0.3
60.58195	0.2
60.61021	0.3
77.03935	0.8
83.19834	0.3
91.05489	1.5
95.04963	4.2
105.03394	100.0
106.06530	1.4
118.06532	9.7
119.04913	0.4
122.06037	0.6
125.66560	0.4
135.80437	0.3
167.65005	0.3
210.08940	0.4
240.10184	26.7
268.09637	4.7
298.09076	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	390.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50377	0.3
53.03955	1.5
56.45896	0.3
57.85463	0.4
73.26038	0.4
77.03939	0.5
77.58578	0.4
91.05484	1.6
95.04980	3.3
105.03391	100.0
105.04534	2.5
106.06563	0.6
118.06536	9.6
119.04922	0.5
122.06028	0.5
135.37457	0.4
185.88748	0.5
198.06097	0.5
224.23207	0.4
240.10152	25.6
251.18547	0.4
268.09631	5.5
282.09961	0.7
321.10931	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01848	0.7
55.71411	0.6
60.48698	0.6
63.32520	0.8
64.45610	0.7
69.03426	10.0
72.44192	0.6
78.03438	4.2
81.03417	20.2
85.02903	11.8
87.04465	1.2
87.58963	0.7
97.02879	4.7
99.04445	3.7
106.02914	69.8
109.02869	17.6
124.03941	100.0
127.03906	8.1
166.04944	1.1
231.73886	0.8
232.06001	1.4
250.07082	15.4
268.08130	51.8
298.15845	0.8
300.82602	0.7
349.99451	0.8
390.13895	36.8
390.18890	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	390.1547
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
52.73458	0.8
57.91871	1.0
58.88343	0.8
60.04529	11.9
66.43477	1.1
70.06579	4.4
74.40070	1.2
80.28419	0.9
90.49691	1.1
120.70930	1.1
136.07581	2.5
139.03885	18.9
140.51639	1.0
144.11107	1.0
153.05447	1.3
161.05933	1.7
163.03871	9.0
163.07556	9.8
173.05942	10.6
177.05429	1.7
177.09117	1.5
181.04906	4.3
190.08623	43.1
193.08609	4.2
202.08582	1.3
204.10190	6.7
205.08583	72.8
222.11230	100.0
292.55402	0.9
348.11902	1.2
355.11630	2.3
363.09219	1.1
372.14685	1.5
373.12775	1.3
383.80231	1.1
387.24673	1.0
390.10397	2.3
390.15463	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	390.1548
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
50.06409	0.7
51.20772	0.8
57.22578	0.9
60.04533	15.1
70.06590	5.6
114.61314	1.3
135.04411	1.8
136.07584	5.3
139.03893	24.6
144.67110	1.0
152.77184	1.0
153.05531	1.6
161.05943	1.4
162.96408	1.0
163.03914	16.7
163.07512	7.1
165.05453	4.7
173.06024	9.3
177.09077	2.0
179.03424	2.4
179.06870	1.2
181.04919	5.5
190.08615	40.0
191.07095	1.2
193.08586	2.3
204.10191	5.5
205.08597	74.6
217.08620	1.8
220.38116	1.0
222.11238	100.0
235.09563	1.6
355.11688	4.3
372.14371	3.9
373.12784	2.0
390.15454	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80621	1.6
67.32867	2.0
68.86179	1.9
70.95862	2.9
72.93812	2.0
78.81555	1.6
79.87656	1.8
87.72301	1.9
112.25524	1.8
116.69576	2.2
123.59390	1.8
151.82510	2.0
164.99950	2.8
166.97934	2.7
179.05170	3.2
201.03592	4.2
203.05145	2.8
215.05234	3.6
281.09930	4.1
283.11414	11.8
329.12143	3.1
331.13440	3.8
347.13043	4.7
349.14551	100.0
367.15610	71.4
390.17175	7.9
390.34003	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07021	2.2
56.96558	11.7
61.24927	2.4
61.48177	2.1
63.84217	2.2
68.28690	2.7
74.00031	2.5
79.33659	2.6
89.36201	2.4
92.18562	5.2
94.51222	2.4
100.35588	2.2
108.00459	2.5
199.06511	10.8
203.05936	4.0
207.14012	2.3
213.08028	10.5
216.58026	2.3
217.07520	3.0
227.09480	4.4
231.08949	4.6
237.08029	3.0
239.09523	3.0
249.08002	10.9
251.09573	14.9
253.62479	2.4
255.09062	28.2
267.09045	58.0
269.10617	60.2
273.10132	12.2
285.10126	33.9
287.11707	10.0
290.10767	3.0
331.15747	19.0
349.16821	62.5
367.17920	100.0
377.88199	2.5
385.19153	4.1
390.19547	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	390.2271
Annotation	Oxotuberostemonine
Peak:m/z	Relative Intensity
67.05495	3.5
78.05595	2.8
83.04988	4.2
91.05446	8.1
94.06544	4.5
95.76240	3.0
97.80550	3.4
105.07032	6.8
107.08595	13.1
109.10165	7.2
112.07736	3.0
119.08566	13.4
121.10148	20.7
123.11685	4.1
131.08566	6.6
133.10083	10.0
134.09641	4.5
135.08081	5.9
143.08588	6.0
145.10118	12.8
146.09642	5.7
149.09607	3.7
157.10120	15.6
159.11679	4.4
160.11229	6.0
161.05942	3.7
161.09618	7.3
163.07491	3.3
171.11684	7.2
175.11218	5.5
176.90466	3.9
178.12244	5.0
185.13248	3.8
187.11140	4.2
188.14421	7.2
199.11189	4.1
200.10687	3.1
200.14410	6.3
201.12787	3.4
207.11792	3.8
268.16855	7.4
294.18491	14.3
295.16864	5.1
312.19525	53.4
313.17972	8.1
330.17529	4.3
330.20715	52.0
354.20639	3.3
363.27170	3.5
372.21634	13.9
390.22742	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56762	1.3
67.09533	1.0
71.04992	1.4
78.74273	1.5
81.07056	4.6
85.02897	7.6
85.88921	1.2
93.07035	2.3
95.08597	10.2
99.08079	2.8
105.07032	5.5
107.08548	2.5
113.09637	1.8
119.08574	47.2
123.11668	5.1
125.99062	1.1
133.10117	88.1
135.11688	23.3
172.29567	1.2
175.14806	100.0
193.15878	22.9
195.75528	1.2
207.25702	1.2
211.16930	68.2
247.56139	1.3
390.19968	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	390.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20235	0.6
55.05520	7.2
57.07063	0.7
67.05488	1.1
69.07059	4.9
71.08324	0.6
71.08633	11.0
79.05498	1.7
81.07062	7.0
83.08623	13.5
91.05473	0.6
91.64021	0.6
92.18573	1.4
93.07046	5.7
95.08592	6.6
97.06520	1.4
97.10181	1.4
99.08080	5.3
100.11250	64.6
105.07025	0.9
107.08604	5.0
109.06510	4.0
109.10159	5.4
111.08111	0.7
114.09095	0.7
119.08575	2.5
121.10133	2.7
131.08575	0.8
133.10106	1.6
135.11696	1.4
137.09630	0.9
147.11652	2.6
149.13272	1.3
150.88716	0.6
151.11206	1.3
153.12686	0.9
154.33075	0.7
161.13187	0.9
163.14812	0.9
165.12740	9.2
175.14819	5.5
179.14304	0.9
184.13261	1.2
185.13271	0.7
193.15846	3.2
210.18593	1.0
229.80785	0.7
235.16908	2.9
242.58461	0.7
291.23129	22.7
291.26172	0.9
292.26257	4.7
308.26126	1.2
337.92261	0.8
390.33624	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	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	2.5
58.06573	0.7
66.04448	0.5
70.06594	11.1
71.08633	0.9
72.08157	0.7
84.08121	0.9
86.09673	3.3
88.07629	5.0
92.17812	1.3
97.05962	0.5
102.09174	2.9
102.48899	0.5
117.46050	0.6
132.10202	13.8
146.11765	13.1
240.26825	3.1
266.28241	1.0
284.29453	14.9
328.32059	70.1
390.35733	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	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31288	2.3
62.10310	2.4
67.05487	3.2
69.03418	4.0
79.05472	3.0
80.75286	2.7
81.07053	2.8
91.05476	2.4
95.04946	2.8
96.21090	2.4
97.06487	4.5
105.06992	5.0
109.06520	3.6
111.95820	2.5
116.34808	3.1
117.06997	3.8
121.06535	4.1
125.05999	11.8
128.06180	3.0
129.06999	2.7
131.08537	12.6
133.06544	4.5
141.06978	5.0
142.07700	2.6
143.08585	18.0
145.06474	16.9
146.07289	3.1
147.08109	6.1
149.02333	4.6
149.05956	3.1
153.06915	2.5
155.08534	22.0
159.08040	47.4
161.09567	3.0
165.06998	5.2
166.07758	3.6
167.08563	10.2
168.09392	3.5
169.10065	20.8
171.07996	26.7
171.11632	4.8
173.09570	17.5
175.07512	3.7
178.07802	3.9
179.08537	11.6
181.08586	10.6
181.10109	18.8
182.10838	4.6
183.08075	12.5
183.11668	13.9
184.08803	5.8
185.09593	16.9
187.11314	2.9
191.08603	3.2
192.09340	13.9
193.10139	15.5
194.07211	2.9
195.08055	10.9
195.11649	4.5
196.08864	14.0
197.09593	48.1
197.13264	17.2
198.10478	5.0
199.07500	10.3
199.11162	47.2
201.09332	2.5
207.11626	25.6
209.09587	43.3
210.10422	26.7
211.11136	52.2
212.12054	3.8
213.09238	2.5
213.12714	13.8
216.47874	3.0
220.08806	11.9
223.11197	23.3
224.12277	3.0
225.12717	68.9
227.10617	20.7
229.12225	4.6
235.11156	22.9
238.09801	4.1
239.24384	2.9
241.12227	14.9
243.13782	3.7
253.12207	100.0
271.13309	39.1
289.14474	3.1
295.13293	3.8
313.14267	16.6
331.15414	31.4
331.18967	4.1
373.16260	4.7
391.17172	84.1
391.21198	13.3
409.57608	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	391.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40462	1.5
59.65456	1.5
59.97127	1.5
63.08462	1.4
65.14575	1.4
79.05499	1.7
83.04972	2.1
92.17911	3.7
93.06996	2.7
96.97432	1.5
107.04928	2.3
112.45175	1.7
119.04913	1.6
119.08547	2.8
121.06538	2.0
129.06953	2.8
131.08618	2.5
143.08582	9.5
145.06502	4.1
146.07205	2.3
147.08043	3.6
155.08589	12.3
156.09398	2.1
157.10091	2.3
159.08029	14.4
165.06956	2.1
166.07756	3.6
167.08536	7.6
168.09341	1.7
169.10066	12.0
171.08041	3.1
171.11728	2.8
173.09619	8.5
179.08560	8.7
180.09306	6.9
181.10149	8.5
182.10930	4.1
183.08072	3.4
183.11760	7.6
185.09633	8.7
192.09297	13.6
193.10130	9.2
194.10802	2.0
195.08066	2.5
195.11632	11.8
196.08833	7.6
197.09627	17.3
197.13271	3.8
199.07632	1.8
199.11194	19.9
205.10196	2.3
207.11710	17.5
207.13376	2.1
208.08817	2.0
209.09610	7.7
209.13263	2.7
210.10406	10.3
211.11177	23.1
213.12723	15.0
221.40829	1.7
223.11147	20.9
225.12663	32.6
227.10704	2.8
235.11134	13.8
238.09851	2.8
241.12190	9.7
243.13760	3.3
253.12172	38.0
271.13321	23.3
287.46820	1.8
313.14319	7.4
331.15414	3.5
340.99081	2.1
391.17474	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	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
62.88780	1.9
67.05504	2.3
68.17181	2.2
69.03419	3.2
71.72499	2.0
79.05495	8.4
81.07058	3.0
91.05480	2.6
93.07038	9.2
95.04958	12.0
95.08603	4.8
97.06524	5.1
105.03410	3.0
105.07033	17.4
107.04949	5.5
107.08582	4.3
109.06537	15.7
109.07162	2.3
109.10144	2.9
117.06989	9.8
119.08585	11.2
121.06509	9.0
123.08087	4.5
125.05984	4.6
129.07057	3.1
131.08545	4.3
131.30266	1.9
133.06432	3.0
133.10123	3.6
135.08054	4.5
137.06064	3.0
141.06964	4.9
142.07758	3.3
143.08519	12.4
145.06456	12.7
145.10123	5.4
146.07265	4.1
147.08029	11.5
147.11737	2.7
149.02321	12.1
149.09637	3.3
153.06946	2.5
155.08524	25.2
156.09355	2.8
157.10106	17.0
159.08020	31.7
161.05989	2.7
161.09654	3.9
163.03934	2.6
165.06996	3.9
166.07854	4.6
167.08565	11.5
168.09319	10.6
169.10149	25.2
171.07979	16.7
171.11685	13.4
173.05986	2.4
173.09624	15.3
175.07532	3.8
175.11220	3.4
179.08531	9.4
179.93214	2.5
180.09239	2.3
181.10104	22.3
182.10892	11.1
183.08051	5.3
183.11685	43.2
185.09676	10.3
185.13223	2.1
187.11122	3.1
192.09358	16.8
193.10138	13.9
194.10890	4.3
195.08035	9.2
195.11702	12.4
196.09010	9.1
197.09637	19.6
197.13274	24.6
198.10085	2.3
199.11192	28.5
201.12849	3.1
207.11659	37.2
209.09590	10.1
209.13148	3.8
210.10451	22.1
211.11162	69.5
211.14696	2.4
213.09097	4.2
213.12701	9.2
215.14217	2.8
220.08852	9.2
223.11201	26.5
224.11879	3.4
225.12733	77.8
227.10640	10.3
227.14301	3.1
229.12291	3.4
235.11177	28.9
238.09787	3.2
241.12224	10.2
241.19618	2.6
243.13811	3.8
249.16464	3.0
253.12196	100.0
267.17361	3.6
271.13260	39.3
289.14471	3.4
295.13269	2.8
295.16968	3.8
313.14322	15.4
313.17972	14.6
331.15250	15.3
331.19061	15.5
373.16281	3.7
391.12119	5.4
391.17056	74.4
391.21405	20.1
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	Norcaesalpinin F
Peak:m/z	Relative Intensity
55.24664	4.1
59.15368	4.5
63.94089	4.3
69.07074	5.2
80.08672	4.1
80.26163	4.6
91.05487	6.1
93.07040	7.3
105.07038	9.5
107.04969	6.1
107.83546	4.6
116.99162	4.3
117.07015	5.7
119.08578	6.8
121.02238	4.9
121.06522	7.7
125.05984	5.0
133.06441	11.0
139.07617	6.1
143.08565	26.5
145.06448	10.5
145.10123	6.5
147.08041	25.5
149.02339	31.2
151.07512	5.6
155.08548	23.5
157.10039	5.8
159.08031	37.6
167.08560	6.2
169.10059	6.8
171.08000	23.5
173.09628	7.5
178.07808	6.3
179.08543	5.5
181.10100	31.4
183.08009	10.0
183.11670	25.0
184.09109	4.8
185.09624	23.9
192.09328	10.4
193.10110	8.4
195.08025	9.2
195.11639	7.5
196.08786	9.7
197.09636	21.0
197.13261	26.1
199.11154	34.5
206.52542	5.5
207.11765	40.2
209.09648	47.3
210.10507	18.7
211.11174	44.0
213.12769	6.7
220.08833	7.8
223.11142	5.9
225.12697	63.9
227.10757	11.0
235.11136	33.6
238.09746	5.8
241.12250	9.1
243.13774	7.2
253.12204	95.3
271.13388	44.5
289.14459	6.8
313.14371	32.9
331.15335	37.0
373.16318	33.6
391.17316	100.0
399.34793	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	391.1749
Annotation	Norcaesalpinin F
Peak:m/z	Relative Intensity
51.67617	2.8
55.05520	3.0
57.03423	3.7
83.04986	5.7
88.21971	3.2
95.87527	2.9
99.73827	3.0
100.28450	3.4
101.06019	4.0
105.03365	6.9
105.06999	5.8
117.07016	4.6
121.06466	3.3
128.06207	15.9
131.08548	3.8
142.99892	3.2
143.08554	54.3
145.06477	17.8
155.08542	12.5
157.10223	5.7
159.08047	20.7
165.06927	3.8
167.08548	3.6
169.10147	19.3
171.08044	100.0
173.09613	15.6
181.10106	6.9
183.08124	5.0
183.11697	6.1
185.09650	5.2
189.09122	28.4
195.11691	4.9
197.09595	16.1
197.13283	7.4
199.07483	24.1
199.11159	37.1
201.12750	5.2
207.11700	16.1
209.09569	6.9
210.10425	5.3
211.11235	27.5
212.12013	3.5
213.09035	4.4
213.12822	13.1
223.11174	17.8
225.12697	36.3
227.10562	7.8
235.11205	7.9
238.09645	4.5
241.12238	14.8
243.13892	5.4
253.12206	36.3
271.13327	48.4
281.33237	3.4
289.14383	14.2
311.97864	3.2
331.15494	14.0
373.16309	4.6
391.17291	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44312	2.0
55.01871	2.0
55.49226	1.9
67.05492	2.8
69.03425	5.1
70.36397	2.0
79.05495	2.6
81.07035	4.3
95.04960	2.8
105.07011	4.2
107.04947	3.8
109.06506	5.6
117.06964	3.0
119.08545	4.4
121.06477	4.8
123.08048	2.6
125.05992	11.4
131.08534	11.9
141.06966	3.8
143.08563	18.4
144.05708	2.4
145.06505	14.7
145.10159	3.1
146.07227	3.3
147.08031	10.7
149.02319	5.5
155.08545	12.3
156.09329	2.8
157.10164	9.8
159.08028	37.7
165.07004	9.8
166.07788	3.2
167.08505	4.8
168.98347	2.4
169.10153	19.4
171.08061	22.7
171.11705	3.8
173.09621	13.6
178.07788	4.3
179.08548	13.4
181.10101	20.6
182.10934	5.5
183.08041	9.7
183.11664	12.6
184.16632	2.3
185.09535	17.9
187.11160	2.5
192.09320	9.5
193.10100	9.7
195.08026	4.7
195.11800	2.9
196.08841	10.1
197.09612	35.6
197.13258	18.1
198.10548	2.9
199.07552	9.6
199.11147	46.9
201.12825	2.7
207.11763	18.9
208.08878	2.7
209.09607	45.9
210.10416	23.8
211.07832	2.9
211.11172	52.0
212.11917	5.1
213.12703	15.1
215.06915	2.9
215.10574	3.2
220.08864	4.0
223.11160	21.2
225.12709	65.6
225.16171	2.5
227.10699	16.6
229.12405	3.5
235.11200	19.7
238.09805	4.3
241.12192	13.6
253.09735	4.8
253.12221	94.3
269.11948	2.5
271.13284	34.1
288.90131	2.3
289.14172	3.5
313.14478	19.8
313.17651	3.8
331.15405	35.9
331.18854	4.5
363.75150	2.4
373.16272	4.2
375.07428	2.1
391.07880	3.0
391.17188	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	391.175
Annotation	Norcaesalpinin F
Peak:m/z	Relative Intensity
51.73468	1.4
57.15244	1.2
69.03426	3.1
69.44500	1.3
69.54429	1.8
81.03379	1.5
97.06541	2.1
104.22044	1.4
105.07011	2.3
105.82869	1.8
107.04927	3.0
117.06900	1.8
119.08570	2.2
125.05957	6.6
129.06955	1.8
131.08519	1.7
143.08479	10.7
145.06453	8.2
147.07970	2.1
149.02313	6.4
155.08594	12.0
157.10086	6.9
159.08052	20.3
163.04015	2.2
166.07721	7.0
168.09276	2.0
169.10089	9.4
171.08023	16.2
171.11656	2.3
173.06078	2.0
173.09561	6.1
178.07697	2.5
179.08504	6.3
180.09274	2.3
181.10104	13.0
182.10829	2.3
183.08044	3.7
183.11743	12.1
184.08810	2.1
185.09543	9.0
192.09258	6.3
193.10081	7.4
195.08087	2.8
195.11635	2.7
196.08807	7.5
197.09610	34.1
197.13266	12.7
199.07515	3.5
199.11177	34.8
201.12836	1.5
205.10191	1.9
207.11676	15.6
209.09708	13.3
210.10391	14.8
211.07434	1.6
211.11124	30.3
213.12726	3.5
220.08830	2.8
223.11098	1.9
225.12704	36.4
227.10706	12.4
229.12210	3.0
235.11174	16.3
238.09799	2.6
253.12196	71.9
263.04074	1.5
271.13272	20.9
289.14340	2.6
301.13885	1.5
313.14334	12.7
327.15775	1.6
331.15375	9.4
391.12244	4.9
391.17386	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	391.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60667	2.9
51.12062	2.7
58.07315	3.0
61.59756	3.0
64.49703	3.8
73.00955	3.2
76.54139	3.4
79.05485	6.3
91.05500	4.1
93.07015	4.3
95.04952	4.6
105.07030	7.5
107.04941	15.2
107.08556	13.6
109.06538	4.9
117.06982	4.3
119.08588	6.7
121.06486	7.2
129.06960	4.9
131.08577	4.9
133.06494	5.3
136.80701	4.3
143.08534	6.7
145.06514	7.4
145.10182	5.8
147.08026	7.8
149.02344	16.5
149.09631	4.3
155.08568	19.6
159.08084	17.7
165.07042	4.2
167.08522	5.3
169.10115	7.9
171.08115	5.1
173.09569	13.8
179.08514	13.0
181.10144	14.1
182.10880	5.0
183.08072	6.5
183.11699	18.7
185.06090	3.5
185.09641	7.2
187.11137	4.1
192.09329	8.6
193.10161	13.4
195.11700	7.4
196.08832	5.9
197.09639	19.6
197.13290	16.4
198.10384	4.9
199.11259	15.7
207.11597	29.3
210.10426	15.2
211.11151	39.8
212.11931	7.9
213.12738	23.5
220.08832	8.5
223.11214	32.2
225.12727	55.0
235.11299	23.9
241.12175	22.5
243.13824	5.3
247.11826	3.5
253.12210	69.2
257.08105	3.9
271.13281	36.8
313.14346	7.9
313.17816	4.8
331.15384	12.5
369.81995	3.5
373.16452	14.7
391.12112	10.9
391.17020	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88140	5.3
55.90942	5.0
56.22208	6.0
57.07068	6.4
59.00960	5.3
66.85351	5.7
75.57450	6.1
90.29132	7.2
93.07024	9.9
95.04985	6.9
107.04956	12.9
122.65580	6.1
143.08594	12.9
145.10202	8.3
147.08069	10.9
149.02344	37.5
153.00606	6.1
155.08522	28.9
157.10100	35.3
169.10069	12.3
171.11630	8.8
179.08542	7.8
180.09303	7.9
181.10164	26.4
182.10875	12.3
183.08130	9.4
183.11771	38.4
185.09726	9.4
192.09326	31.5
193.10089	9.4
195.08003	10.8
195.11681	25.2
196.08846	8.5
197.09669	12.6
197.13248	45.5
199.11198	14.7
207.11658	64.9
209.09648	7.0
210.10353	8.6
211.11122	53.6
223.11234	33.8
225.12743	92.5
227.10574	9.2
235.11089	35.0
241.12044	10.2
253.12196	100.0
271.13132	45.2
313.14252	31.0
327.15887	11.3
331.15439	44.1
373.16434	35.1
391.11981	13.2
391.17313	67.0
391.21848	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63724	3.4
67.05510	3.3
68.33707	2.9
68.69813	2.9
69.03420	3.4
70.88625	3.1
107.04882	3.2
125.06030	4.7
143.08580	13.7
145.06435	4.6
147.08075	3.6
147.88481	2.8
149.02344	15.5
155.08501	5.0
159.08060	25.4
165.06831	3.4
166.07840	3.6
169.10109	11.4
171.08038	15.9
173.09576	6.1
179.08566	3.6
181.10091	13.9
183.08121	4.5
183.11702	7.2
185.09616	7.3
192.09364	4.9
193.10106	4.9
195.07999	6.2
195.11708	3.7
197.09653	23.7
199.07436	3.3
199.11180	41.9
207.11725	6.1
209.09570	14.1
210.10376	13.8
211.11198	37.1
225.12740	31.7
227.10680	5.7
235.11157	17.3
236.07329	3.2
241.12320	4.0
245.50137	2.8
253.12230	58.8
253.15784	4.6
271.13275	23.6
271.16415	3.8
313.14355	10.6
313.17926	12.0
331.15424	4.8
331.19073	7.0
391.17422	100.0
391.22012	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	391.2113
Annotation	CHEBI:70372
Peak:m/z	Relative Intensity
53.96656	2.5
62.41462	2.7
66.87848	2.4
69.07067	3.4
78.29877	2.8
81.07050	10.8
87.50189	2.5
95.08585	4.3
97.06555	20.1
105.03378	2.7
105.07019	5.8
107.08636	2.8
109.06464	4.6
115.81259	2.6
119.08616	4.1
123.08067	5.8
129.07011	3.0
133.10158	3.1
135.08035	3.4
143.08586	6.8
145.10123	16.7
147.08012	9.5
148.01518	2.7
155.08527	6.1
157.10144	11.1
159.11617	4.9
161.09653	5.5
169.10136	10.2
171.08075	5.4
171.11626	6.6
173.09711	10.7
175.11075	3.8
181.10059	5.9
183.11623	5.9
185.09529	4.5
185.13423	3.1
187.11253	27.1
189.09094	3.1
191.10683	5.2
193.10081	3.3
195.11760	4.0
197.09618	15.4
197.13182	3.7
199.11163	11.0
199.89464	2.9
203.10915	2.7
207.11685	5.6
209.13326	5.0
211.11215	13.3
211.14717	3.8
215.10677	16.5
220.12592	4.3
223.14769	5.9
225.12730	5.5
225.16216	3.0
227.10629	4.3
227.14230	4.8
233.11752	3.7
234.14087	4.3
235.14720	6.0
241.15958	3.4
249.16405	3.6
251.14200	9.8
253.15912	22.8
267.17661	3.7
269.15518	3.9
271.17078	12.3
285.18530	4.0
287.16489	4.1
295.16919	27.5
313.17828	29.4
331.19107	21.1
334.29813	2.7
347.18558	6.3
391.16956	3.8
391.21112	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	391.2113
Annotation	Longikaurin C
Peak:m/z	Relative Intensity
57.19199	2.7
58.49243	2.8
69.07058	4.1
73.39437	2.6
81.03399	3.3
81.07059	12.2
86.05831	2.6
91.05435	3.2
91.33809	3.1
93.07002	3.8
97.06522	17.4
105.07040	3.4
107.08592	5.2
109.06520	3.7
111.08031	3.3
119.08549	4.7
123.08067	4.3
123.11607	3.3
131.08534	4.4
133.10097	3.7
135.08034	5.1
143.08531	4.6
145.10126	14.5
147.08064	6.7
155.08527	7.0
157.10104	13.7
159.08061	5.7
161.09612	6.6
167.08495	5.3
169.10081	11.9
171.08061	4.2
171.11714	3.9
172.61809	2.8
173.09616	13.8
175.11183	5.1
181.10071	12.3
183.11662	16.8
185.13249	3.2
187.11211	30.0
189.09215	4.3
193.10133	10.8
194.10898	6.0
195.11732	6.9
197.09605	14.3
197.13290	5.3
199.11295	6.6
199.14813	5.8
207.11708	6.5
209.13261	22.2
211.11179	18.8
213.09236	3.6
213.12770	4.5
215.10695	18.8
217.36490	3.4
220.12431	4.1
223.11229	3.1
223.14807	7.2
225.12724	10.8
225.16359	6.1
229.12248	4.0
235.14833	4.0
251.14276	5.3
253.15897	19.9
262.13544	4.2
267.17453	10.9
269.15305	4.4
271.16974	14.1
277.15875	4.8
295.16855	34.9
313.17877	24.7
331.19009	23.4
391.16550	5.9
391.21133	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	391.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28703	0.8
67.05506	1.6
85.06556	0.8
95.04949	1.5
97.00925	0.8
97.06503	0.8
103.07606	1.0
107.08553	0.7
113.06017	3.1
125.09717	0.9
149.02429	3.5
168.22342	0.8
187.08800	0.9
189.10342	3.5
205.09781	6.4
207.16046	0.8
215.41609	0.9
221.13135	0.9
229.13696	4.0
246.13771	1.2
247.14542	3.5
257.13049	2.7
258.13565	2.6
259.14578	4.4
267.31845	0.8
273.12628	0.9
274.13110	25.9
274.15833	1.2
274.98434	0.8
275.13873	54.8
277.15625	1.4
292.14218	9.4
293.14932	7.5
345.21780	1.3
347.17255	2.9
373.21198	41.0
391.22498	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	391.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05285	0.5
71.01935	0.5
71.07960	0.5
74.40038	0.6
95.08629	0.8
97.06501	2.1
116.33357	0.6
119.08588	0.6
124.04729	0.7
137.05963	2.6
147.08017	0.5
149.02348	0.9
156.69774	0.5
161.06070	0.7
175.07550	0.6
185.09641	0.6
189.10202	2.3
205.09715	4.3
211.11209	1.3
229.13342	3.1
239.66492	0.5
245.12859	1.0
246.13556	2.1
247.14391	2.9
253.12396	0.6
257.12949	2.5
258.13553	3.9
259.14386	4.4
268.08032	0.6
273.12354	0.8
274.13071	23.0
274.15939	1.0
275.13876	47.8
277.15341	0.7
285.11221	0.9
292.14215	6.3
293.14960	7.8
304.17831	0.6
327.20731	0.7
331.15076	0.8
341.10257	0.6
345.21631	2.2
373.21182	49.2
391.22232	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	391.2325
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
51.59488	1.4
56.02929	1.6
62.98108	1.8
66.09811	1.6
71.04980	2.4
74.08619	1.8
78.45333	1.8
81.07053	12.8
83.08591	2.1
85.02890	2.6
85.06544	26.4
91.05476	1.8
93.07036	8.1
95.04979	2.4
95.08608	40.0
99.04423	7.1
99.08094	3.8
105.07014	9.2
107.08582	20.0
109.10167	14.5
113.09634	2.2
119.08586	30.7
121.10136	8.8
123.11681	2.9
125.09618	4.4
130.64317	1.8
132.22536	1.8
133.10133	21.8
135.11693	29.2
137.09573	9.2
147.11664	3.7
149.13274	1.8
150.73297	1.8
155.09410	3.7
155.10669	100.0
163.14827	29.3
175.14832	43.3
175.16269	3.6
179.96555	1.8
193.15869	45.8
199.17004	2.4
211.16917	78.5
229.17960	43.2
287.13486	2.3
307.82953	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	391.2326
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.15109	1.7
55.05515	2.4
67.05494	2.4
69.07085	3.0
69.42512	1.9
81.07068	24.8
83.05017	2.4
85.02917	2.3
85.06540	27.4
93.07051	17.9
95.07733	2.4
95.08599	47.5
97.99694	2.0
99.04444	3.2
99.08093	12.2
105.07046	15.7
107.08602	28.5
109.10156	24.0
111.08064	2.6
119.08566	42.9
121.10102	17.5
123.11683	5.2
125.09631	5.1
133.10127	30.0
135.11703	38.0
137.09618	14.5
147.11668	2.8
149.13242	3.4
155.10666	100.0
163.14809	67.5
171.18755	2.5
174.55521	2.1
175.14815	58.4
181.15936	4.6
193.15884	48.7
199.16960	13.7
200.30916	2.6
211.16895	44.9
229.17978	80.5
313.07809	2.7
355.24576	2.3
388.44788	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13675	0.4
59.02723	0.5
66.81978	0.4
68.27663	0.5
71.08629	0.6
95.08595	0.5
100.03170	0.5
102.13947	0.5
119.58199	0.5
120.97788	0.6
122.70358	0.5
149.02298	4.4
157.10229	0.5
157.40448	0.6
257.32755	0.5
391.24545	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79548	1.4
81.07030	2.9
88.82381	1.3
93.07001	1.6
95.08576	1.5
99.11954	1.2
107.51141	1.2
109.10123	2.1
110.34883	1.4
149.02313	8.8
172.15302	1.5
312.70892	1.6
333.74423	1.4
391.24493	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47295	0.9
56.69165	1.0
56.94439	1.1
57.07044	1.3
57.52675	0.9
61.67006	1.0
67.07951	1.1
78.40216	1.3
78.70402	1.2
98.97562	1.8
135.08060	10.6
149.02336	6.9
153.71429	1.0
181.29564	1.3
189.72391	1.1
266.47812	1.1
305.78134	1.1
350.14404	4.3
350.64948	1.4
391.24521	100.0
410.13300	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	391.2476
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
52.15765	3.7
55.01863	9.9
55.05508	10.2
57.03429	28.1
57.07081	4.9
67.05499	87.1
67.27913	3.6
68.72094	4.2
69.07076	7.4
78.36610	4.2
79.05492	66.5
81.03442	4.2
81.07068	47.3
83.04980	24.7
85.06532	7.8
90.22823	4.0
91.05469	59.2
93.07034	64.1
95.04963	100.0
95.08598	64.6
97.06529	9.4
105.03391	8.1
105.07017	55.9
107.04922	6.9
107.08586	31.0
109.06510	69.8
113.05941	5.0
117.07015	20.9
119.08578	45.3
121.06540	6.2
121.10160	16.1
123.08023	5.1
126.26703	4.0
128.06178	6.4
129.05460	4.9
129.06989	19.6
131.08565	29.1
133.06429	5.8
133.10144	18.9
135.08064	41.2
135.11601	5.0
137.09587	5.6
143.08618	15.8
145.10101	20.5
147.08049	18.4
147.11694	19.3
149.02345	29.4
157.10175	6.6
159.11761	16.2
161.09521	7.5
161.13112	5.9
163.11214	5.7
169.10193	6.5
171.11673	24.2
171.14963	5.0
173.13200	6.2
183.11794	4.8
185.13220	9.5
187.11159	5.1
189.12762	6.5
197.13228	5.5
199.11258	4.9
215.14267	18.0
299.20044	25.7
339.31216	4.6
373.23691	73.4
391.20221	5.6
391.24854	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	391.2478
Annotation	Xenimanadin D
Peak:m/z	Relative Intensity
55.01867	6.2
55.05513	6.1
57.03422	6.6
67.05501	31.0
69.03441	3.2
69.07063	12.9
75.77464	2.6
76.42087	2.4
79.05502	32.6
81.03427	5.3
81.07058	48.0
83.04974	4.4
83.08584	3.3
90.79497	2.9
91.05489	35.1
93.07034	46.8
95.04954	12.0
95.08595	22.5
97.02860	4.3
97.06528	5.7
103.03902	4.2
105.07009	15.7
107.08585	13.7
109.06494	3.6
111.08056	4.9
117.07002	14.1
118.48695	2.5
119.08574	22.6
121.06418	4.0
121.10104	4.9
123.08041	4.6
129.05453	6.4
129.06955	3.9
131.08553	31.8
133.10103	28.2
135.08081	10.0
135.11685	14.6
141.06998	5.1
143.08566	12.0
145.10100	13.9
147.08017	3.8
147.11693	5.5
149.02319	6.8
149.09636	2.9
157.04997	5.2
157.10117	11.1
158.65627	2.9
159.08124	3.9
159.11655	29.9
161.09596	17.5
161.13237	5.6
163.11006	2.8
169.10133	4.2
171.11729	4.8
175.11176	11.1
177.12694	22.1
187.11186	13.2
187.14749	3.9
189.12889	3.2
203.10649	4.8
205.12254	5.6
215.14305	3.2
279.15820	4.6
281.19086	6.2
299.20016	13.4
317.21021	11.6
329.32397	4.5
373.23627	4.6
391.24738	100.0
391.35989	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	391.2476
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
51.29327	1.4
53.03947	2.1
54.01775	1.3
54.32094	1.4
55.01862	9.0
55.05503	7.1
57.03442	13.9
61.59453	1.5
63.65448	1.3
67.05236	1.6
67.05509	27.1
69.07050	10.8
71.01318	2.0
71.04977	2.2
79.05131	1.7
79.05492	28.8
81.03420	3.3
81.06661	2.1
81.07063	36.8
83.04961	7.8
83.08601	7.5
85.06528	3.8
91.05471	30.4
93.07037	57.0
95.04955	11.9
95.08603	27.3
97.06505	8.6
103.03962	2.6
105.04467	1.9
105.07033	14.9
107.04980	11.7
107.08595	18.8
109.02827	1.7
109.06479	9.8
109.10072	1.7
111.08060	2.4
113.57621	1.4
117.05687	1.5
117.07021	21.1
119.08550	13.3
121.06493	11.5
121.10127	10.4
123.08029	3.2
129.05444	8.1
129.06978	6.3
131.08562	25.9
133.10124	16.0
135.08015	8.1
135.11685	15.4
139.07509	2.4
141.06934	2.8
143.08565	2.8
145.06493	2.3
145.10123	14.5
147.08028	2.3
147.11673	7.2
149.02292	10.1
149.09567	6.9
149.13306	3.3
150.72900	1.6
153.90646	1.6
157.10077	9.3
159.08005	2.0
159.11682	27.4
161.09599	8.9
161.13222	6.5
163.11180	3.1
169.10092	6.6
171.11624	2.9
173.09511	2.0
173.13228	2.8
175.11119	9.6
177.12776	15.6
183.11696	2.8
185.13214	2.9
187.11166	8.8
187.33226	1.9
201.12793	2.0
203.10632	6.5
205.12239	8.9
215.14276	3.7
279.15894	10.4
281.18979	1.8
299.20032	8.9
317.21066	3.4
373.23700	6.7
391.24692	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	391.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82264	2.1
53.00301	2.1
55.01881	5.6
55.05531	2.6
57.03439	5.7
67.05207	2.5
67.05511	35.7
69.03416	11.9
69.05383	2.3
69.07073	38.1
70.06593	5.4
79.05490	21.7
81.03417	5.8
81.07067	16.3
83.04977	5.1
85.06562	3.7
91.05476	53.0
92.83473	2.2
93.07050	21.4
95.04963	17.9
95.08578	12.6
97.02882	24.0
97.06525	10.5
99.15334	2.2
103.24268	2.3
105.07024	31.9
107.04942	12.4
107.08591	5.7
108.72158	2.3
109.10140	4.8
110.16470	2.3
111.04459	3.1
117.07020	20.2
119.08567	60.2
121.10129	3.4
123.08060	2.4
128.06181	2.9
129.05447	5.2
129.07014	4.2
131.08556	11.1
132.10226	4.6
133.06465	3.0
133.10112	42.3
135.08080	4.6
135.11670	2.6
137.09622	11.5
143.08565	16.1
145.10115	4.0
147.08025	4.7
149.02324	15.2
151.11143	4.5
159.11624	3.2
161.09605	31.7
169.10120	2.9
171.11620	3.3
179.10667	9.4
187.11191	8.6
215.14496	3.5
231.13766	4.3
285.29898	11.2
299.20029	19.8
309.16922	3.0
317.21100	8.8
328.32190	3.9
328.79959	2.9
329.32370	46.0
391.24783	100.0
391.36014	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2478
Annotation	Xenimanadin D
Peak:m/z	Relative Intensity
51.01707	1.2
51.33815	1.3
55.01871	8.5
55.05518	2.5
57.03433	8.9
63.82084	1.5
67.05514	21.8
67.62924	1.3
69.03425	7.8
69.07076	20.4
71.04978	2.9
71.68929	1.5
72.81589	1.4
79.05492	19.1
81.03405	3.0
81.04223	1.3
81.07067	28.1
83.04976	3.1
83.08590	1.9
85.06515	2.1
91.05483	35.4
93.07042	32.0
95.04950	11.4
95.08609	16.0
97.02881	13.3
97.06512	8.5
105.07061	14.3
107.04943	3.6
107.08583	12.0
109.06488	9.4
109.10130	6.7
111.08078	6.0
113.05991	2.4
117.06988	13.2
119.08577	28.6
121.06479	5.8
121.10146	8.4
123.08033	6.0
129.05460	5.7
129.06963	6.9
131.08569	20.8
133.06468	2.5
133.10129	30.3
135.08051	6.0
135.11676	7.9
137.09569	2.7
141.06982	2.5
143.08577	11.5
145.06506	2.1
145.10139	10.5
147.08025	7.0
147.11641	2.4
149.02274	2.0
149.09650	3.5
151.11221	6.6
157.05008	1.8
157.10085	3.7
159.08092	1.8
159.11736	17.1
161.09622	17.1
161.13239	2.2
163.11209	2.1
169.10092	6.5
171.11665	2.0
173.09506	1.7
173.13341	1.6
175.11189	8.2
177.12738	8.8
179.10663	3.5
181.47516	1.6
183.11523	2.1
185.13327	2.3
187.11223	8.5
188.65851	1.7
201.12631	1.6
203.10699	2.2
215.14369	2.5
231.13751	1.8
240.19379	1.8
256.31976	1.6
279.15903	5.8
299.17178	1.8
299.20184	13.5
317.21091	7.4
373.23843	6.0
391.24765	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	391.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05506	3.7
57.03443	32.0
67.05504	29.2
69.03427	2.4
79.05502	20.4
81.07068	19.4
85.06544	38.4
91.05467	17.4
93.07043	15.1
95.04962	56.7
95.08600	13.6
97.06519	7.8
105.07022	22.7
107.04966	8.7
107.08604	5.0
109.06524	25.0
111.41269	2.2
113.06001	100.0
117.07004	12.6
119.08559	17.0
120.65921	2.1
121.10146	3.9
123.08049	5.1
129.06999	10.6
131.08537	10.4
133.10129	5.1
135.08061	16.7
137.09566	3.1
143.08543	13.2
145.06517	2.6
145.10173	9.9
147.11816	2.6
149.02342	9.4
149.09653	7.9
150.72746	2.0
150.94891	2.2
157.10136	2.9
159.08093	2.4
159.11710	3.9
161.09590	13.8
165.09163	3.3
171.11711	13.5
183.11650	2.8
185.13324	4.3
187.11324	2.4
189.12839	2.0
203.14285	2.3
209.13211	3.4
215.14363	3.5
218.76489	2.0
227.14360	4.0
299.20071	12.1
317.21188	11.7
338.38275	2.4
373.23700	9.1
391.24811	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98914	1.4
52.65480	1.4
55.01883	2.1
55.05515	1.5
57.03439	20.4
57.44195	1.4
61.26717	1.5
67.05501	25.3
69.07064	3.4
71.04975	1.9
79.05495	19.8
81.07047	11.8
81.63424	1.7
85.06538	35.5
91.05462	13.2
93.07034	16.1
95.04964	43.9
95.08587	7.5
97.06522	7.0
104.30023	1.9
105.07019	19.9
107.04939	8.3
107.08588	4.0
109.06493	17.1
113.05997	100.0
113.06804	3.2
117.06999	3.5
119.08553	12.2
123.08057	4.1
129.05504	3.0
129.06993	4.2
131.08560	8.7
133.06567	1.9
133.10120	4.0
135.08051	9.7
141.09100	2.1
143.08594	12.2
145.10117	7.4
147.11752	2.3
149.09612	3.1
155.08478	2.3
157.10129	3.0
159.11749	2.2
161.09613	11.0
163.11029	2.0
171.11662	12.8
185.13280	3.6
189.12709	4.2
209.13269	3.6
215.14337	3.6
225.16168	2.0
227.14305	2.1
236.59804	1.8
299.20071	2.7
317.21078	7.7
389.61987	1.9
391.24921	36.1
393.47678	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	391.3205
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
55.05511	4.2
57.03422	2.1
57.07073	18.8
57.64079	1.6
69.07066	28.3
71.08609	13.9
72.73682	1.8
81.07062	3.1
83.08622	18.9
85.10165	3.0
97.10149	12.4
107.08536	2.1
109.02854	19.8
109.10168	4.1
109.51371	2.3
109.98360	1.8
111.11733	3.8
115.03918	8.5
118.71968	1.8
127.03908	100.0
141.05479	7.5
149.02350	11.8
162.95689	2.0
183.10197	14.0
195.10104	3.2
197.11691	4.2
225.14844	1.9
233.38678	2.0
253.18083	3.0
267.19586	2.3
358.74506	2.5
391.32071	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24707	0.7
65.85150	0.7
69.03413	1.8
78.03439	0.8
81.03411	7.4
85.02917	1.3
91.03076	0.7
95.08577	1.1
97.02885	1.2
99.04434	1.3
106.02912	16.3
107.04955	81.0
107.08574	1.3
109.02926	5.3
109.10094	0.8
120.08903	1.1
124.03947	100.0
127.03905	3.2
134.10432	1.1
155.10640	2.9
155.86623	0.8
156.10973	1.6
158.51738	0.8
163.14769	1.1
164.15155	1.6
176.15198	1.7
193.15887	0.9
194.16180	0.9
196.38551	0.7
211.17041	1.0
212.17163	1.1
223.33295	0.7
229.17912	3.2
230.18324	4.6
250.07095	4.8
268.08139	95.2
341.00168	0.8
374.12335	41.7
392.13852	1.1
392.19238	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	392.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33897	0.8
55.84642	0.7
69.03448	1.6
70.06583	10.2
73.02912	1.2
80.82045	0.8
81.03416	1.1
85.02891	5.3
86.47453	1.0
87.02110	0.8
97.02866	1.6
99.04434	1.5
109.02887	1.6
112.99992	0.9
117.02029	0.9
119.01869	2.1
143.01860	3.5
157.03439	6.1
161.02885	4.5
168.16603	1.0
170.06633	3.9
175.04466	3.4
177.04164	1.0
181.03333	0.9
183.05040	4.9
185.02908	7.9
187.04543	1.5
189.04189	1.3
191.03754	1.3
197.05309	3.9
198.04546	4.0
198.06123	21.2
199.04482	3.9
201.06117	2.1
203.03978	3.7
205.05502	1.1
207.05167	12.3
212.07680	1.1
214.05936	1.3
216.05557	1.1
216.07204	15.6
221.04901	4.2
223.06667	4.5
227.04105	1.0
230.08713	1.2
235.06627	4.1
245.04985	1.4
251.04297	3.7
253.07619	1.4
269.05423	1.6
275.09561	1.1
277.07657	100.0
295.08618	57.1
303.09271	1.4
314.10785	4.3
318.10068	1.1
332.11874	16.0
348.11191	1.5
350.12924	35.5
351.11462	1.1
392.09567	1.3
392.14075	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	392.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24693	0.8
57.03441	8.3
57.22419	0.9
58.99591	1.5
61.69456	0.8
76.02225	36.9
84.04507	16.5
84.08144	4.1
85.01173	0.9
85.06547	18.2
86.99104	0.9
87.02677	1.2
89.00620	1.3
99.02663	4.8
112.03911	0.9
116.01653	6.0
117.03708	100.0
125.04191	1.4
125.52644	0.7
125.54549	1.1
129.06564	6.2
130.05006	13.5
142.03165	1.4
142.06873	8.4
143.05234	3.7
144.01094	9.6
160.07892	15.5
162.02179	27.7
179.04839	11.8
187.05386	1.4
199.08842	0.9
233.05852	6.2
245.09529	60.9
246.07896	3.7
263.10556	16.2
308.09006	0.9
317.11591	12.9
392.14896	20.5
404.37134	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	392.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72512	0.3
57.00881	0.3
60.26571	0.3
97.24113	0.3
105.18198	0.4
107.04945	0.5
108.61186	0.4
122.03638	1.8
127.55540	0.4
129.06998	0.8
131.04919	0.5
137.05969	100.0
148.86375	0.3
156.58206	0.3
157.06409	1.4
163.07547	0.6
174.06737	0.4
175.07524	2.3
177.05510	0.4
187.07562	0.5
189.09085	2.4
210.10068	0.5
212.11438	0.5
214.11067	0.3
215.69177	0.4
226.13081	0.6
231.65970	0.4
233.08018	3.0
251.10614	0.5
254.12567	0.5
272.13895	0.4
279.10342	0.8
311.12689	1.7
329.13788	4.0
339.12079	0.6
357.13208	3.6
375.14435	2.6
391.92783	0.3
392.17474	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	392.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36283	0.7
66.89400	0.7
69.86719	0.7
86.09698	0.9
86.10754	0.8
88.41697	0.9
98.63581	0.9
122.03559	1.4
129.07019	1.7
135.11647	0.9
137.05975	100.0
157.06491	4.5
174.06734	3.6
175.07523	45.6
177.09102	1.5
185.23918	1.0
187.07550	13.2
189.09129	8.3
205.08533	1.3
215.07054	5.6
233.05670	1.9
233.08067	59.3
257.95328	0.9
289.73624	0.9
311.13202	0.9
339.59009	0.8
357.13159	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	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94492	0.5
61.02934	0.7
69.03426	0.8
72.34321	0.5
75.00939	0.6
77.03776	0.5
85.02908	8.9
91.03922	0.6
97.02895	1.3
108.66752	0.5
127.03908	2.1
133.06551	0.5
140.50655	0.5
145.04997	0.7
150.06749	1.4
164.08348	2.4
165.05460	2.9
165.09122	0.8
167.06995	5.8
180.07790	15.1
186.18146	0.6
195.10161	100.0
198.08861	21.9
209.11722	0.6
213.11209	61.3
213.94347	0.6
225.11267	0.6
242.61520	0.6
321.13425	0.7
350.23889	0.6
360.41647	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	392.9066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14478	1.7
111.12519	2.3
112.89606	12.0
123.39467	2.0
129.43678	1.9
136.94022	83.0
141.42427	1.8
212.85155	2.2
234.83188	3.2
294.92914	100.0
312.85666	3.1
350.92966	2.1
392.90250	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	393.118
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
53.61190	2.1
53.79766	2.3
56.58782	2.3
56.79760	2.0
68.78371	2.2
75.25607	2.3
79.24868	2.8
85.02876	11.7
86.29243	2.8
105.03400	100.0
105.04469	2.9
106.68587	2.8
109.02870	3.8
121.02869	4.9
146.84380	2.7
151.03987	3.2
153.01842	4.9
163.03864	2.9
165.01807	38.8
177.01822	51.2
183.02905	13.5
189.01776	4.2
191.03403	27.5
195.02898	55.4
203.03374	2.9
215.03349	3.0
219.02896	26.2
231.02878	40.4
231.06488	4.5
242.61644	2.4
243.02806	10.1
243.06526	32.1
247.17274	3.2
249.03888	15.6
255.06487	60.7
261.03870	5.9
267.06491	10.1
269.08087	9.7
273.07523	33.5
286.61551	2.5
297.07608	47.4
309.07578	56.1
321.07602	17.3
337.43338	2.8
339.08646	17.2
357.09518	25.3
375.10684	5.4
375.21307	2.9
393.22379	23.9
414.66144	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	393.1365
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
51.59699	0.3
52.63483	0.3
56.80015	0.4
59.40401	0.4
69.03419	0.6
85.02876	0.9
87.12735	0.4
89.97174	0.4
93.43721	0.4
97.02167	0.4
97.02856	0.6
98.97679	0.5
104.00342	0.5
123.96693	0.4
145.03477	0.8
155.01917	2.2
157.03452	0.5
167.01888	0.7
169.03419	0.6
170.03253	1.3
173.02988	1.0
185.02942	0.8
203.04099	0.8
205.05463	0.5
212.21606	0.4
219.01950	0.5
221.05099	1.6
245.05043	10.4
249.08240	0.5
257.05072	2.5
265.06168	0.5
278.51251	0.4
291.09229	0.8
393.13574	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	393.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
57.03443	8.1
61.02914	2.4
69.03440	13.8
71.01361	1.1
71.04977	4.4
73.02917	1.6
73.25632	1.0
75.04488	2.2
75.80567	0.8
81.03421	6.4
83.02881	1.0
83.26780	1.1
94.41000	1.0
99.04450	5.3
111.83175	1.0
131.04932	0.9
137.05969	2.2
149.05945	1.6
151.03951	2.4
152.46008	1.0
162.06767	1.4
167.03403	1.0
179.06993	1.1
188.08197	9.9
195.06598	1.2
216.07671	5.7
232.07178	6.5
259.08252	75.6
260.06708	1.8
313.10678	1.6
362.80161	1.1
375.13699	1.9
393.14075	100.0
393.22260	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	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08040	0.3
66.94291	0.3
68.05029	1.2
69.22427	0.4
73.02908	0.4
86.83018	0.4
88.01603	0.3
113.16772	0.4
114.05489	0.4
121.57288	0.4
124.44011	0.4
125.05933	0.7
130.04958	0.8
140.03401	1.5
151.03899	2.8
179.07036	0.8
181.83913	0.4
197.08093	2.6
203.07899	0.5
204.08809	6.9
216.08797	100.0
217.09532	0.7
218.10350	2.4
224.26704	0.4
225.06479	1.8
226.07214	1.5
229.09628	0.7
230.10384	10.1
240.08774	60.2
241.09598	2.8
246.09865	8.6
258.09854	3.2
268.08279	7.3
272.11377	6.5
283.09402	1.5
300.10895	47.1
311.08954	1.6
315.12018	1.5
333.12979	2.2
343.11420	1.6
361.12482	3.4
375.14066	6.7
393.15143	65.1
393.22760	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	393.1543
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
53.59907	3.6
57.56647	2.9
59.59347	3.3
63.29874	3.8
73.02922	7.5
79.05470	5.0
91.05492	8.8
92.17846	13.8
103.05473	5.3
105.07037	5.5
107.04958	7.9
119.04946	7.5
121.06506	23.1
123.04458	4.2
125.05933	4.9
130.04164	14.3
131.04918	39.1
133.02803	3.9
133.06467	15.2
135.04410	13.9
137.06003	70.0
137.86107	3.8
139.03914	9.2
139.07596	5.8
146.07288	5.0
147.04411	22.4
147.08040	8.7
149.05972	59.4
150.06715	33.2
151.03923	5.2
151.07581	8.6
153.05481	21.0
161.05971	56.4
162.06760	100.0
163.03951	4.0
163.07538	49.9
165.05479	36.9
167.03468	4.8
167.07050	20.2
177.05463	38.5
179.06999	6.1
189.05507	8.2
195.06566	24.4
195.08113	4.6
203.06969	4.9
219.08041	6.0
225.09125	5.9
233.08195	4.8
239.10683	3.7
242.81711	4.4
253.08696	8.5
259.07944	9.1
267.10217	6.5
270.08990	3.8
279.10190	4.9
281.08188	6.9
285.07709	4.7
285.11295	15.4
301.10657	33.0
311.09384	5.2
313.10681	65.6
325.10608	27.7
327.12436	13.8
329.10312	6.1
331.11716	31.8
339.12173	7.9
345.13077	4.1
357.13321	18.9
375.14465	15.1
393.14551	29.1
393.22427	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53814	0.5
66.47994	0.6
72.66641	0.6
81.07050	1.2
91.05456	0.9
92.17799	1.2
95.08541	0.9
107.08537	0.7
121.10169	0.6
123.11643	0.8
136.27690	0.7
141.95525	0.6
273.93640	0.6
321.24503	0.8
357.25995	0.8
393.18753	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	393.1883
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
51.24002	0.5
76.15894	0.6
139.79846	0.6
145.92413	0.7
171.26707	0.7
221.70844	0.7
246.25372	0.7
303.84344	0.6
305.97394	0.7
393.18790	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	393.2245
Annotation	Arg Phe Ala
Peak:m/z	Relative Intensity
57.03434	0.9
59.38116	0.4
59.50570	0.5
61.75409	0.5
69.03413	1.9
80.17010	0.5
81.03402	0.7
93.06013	0.5
99.04433	0.7
107.04839	0.5
123.04408	4.8
137.05966	0.5
147.04381	0.6
161.05939	0.7
163.03894	1.7
165.05589	0.6
181.04988	0.5
181.08212	0.5
188.08148	0.9
192.46466	0.5
195.10147	3.3
196.10486	5.3
198.08765	0.5
199.09102	0.5
209.21901	0.5
213.11143	1.2
214.11624	3.5
223.06029	0.8
231.06725	0.5
231.68877	0.5
253.07112	0.6
259.08246	11.3
393.14795	12.8
393.22412	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	393.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85673	1.9
59.04982	5.0
61.19626	2.5
69.07065	4.5
70.41650	2.1
79.05502	4.2
81.07043	9.7
83.04946	3.2
91.05488	4.9
93.07050	17.3
95.08564	5.1
97.06493	4.5
105.07020	20.8
107.08601	17.8
109.06494	6.0
117.07121	2.7
119.08574	44.3
121.06488	4.3
121.10113	3.6
123.08077	16.6
128.60126	2.3
129.06982	3.2
131.08542	18.4
133.10132	14.2
135.08072	14.2
137.05948	14.7
138.06313	3.3
140.52550	2.6
141.07007	3.4
143.08559	15.3
145.06445	3.5
145.10156	14.3
147.08023	15.6
149.09644	3.8
151.07498	3.4
155.08517	32.1
157.10104	15.6
159.08046	18.7
159.11615	2.9
161.09595	15.7
169.10110	36.8
171.11697	10.3
173.09576	19.8
173.13126	4.4
175.11208	3.4
177.09084	10.2
180.09418	3.2
181.10152	3.9
182.10930	2.6
183.11693	18.8
185.09703	3.9
185.13153	4.0
187.11237	4.6
187.14749	4.0
195.11642	11.8
196.12534	9.6
197.09642	12.0
197.13232	32.6
199.11174	4.2
201.12610	2.8
201.16324	2.5
206.10886	5.6
209.13318	2.8
211.11322	3.2
211.14784	42.9
213.12718	18.9
215.14281	10.7
221.13275	15.6
229.15886	15.5
231.13632	3.3
239.14255	100.0
257.15302	88.0
275.16391	6.1
299.16379	5.9
317.17477	38.1
335.18509	74.6
376.74780	2.4
393.22882	18.6
393.27151	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	393.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.9
56.09622	1.5
56.43860	1.5
57.03411	1.8
58.27889	1.4
67.05502	20.4
67.27285	1.6
69.07063	6.4
77.18510	1.7
79.05479	16.0
79.23940	1.6
79.85680	1.6
81.07053	20.4
83.04993	1.6
83.08609	10.5
86.35598	1.5
91.05472	16.3
92.18478	3.1
93.07048	26.2
95.08598	16.9
97.06544	4.0
97.10150	2.1
99.08119	1.8
105.07017	8.8
107.08583	21.8
109.10165	11.8
111.08074	3.4
114.94717	1.9
119.08562	14.0
121.10130	43.9
123.08040	2.2
123.89478	1.9
127.03905	59.4
131.08566	9.2
133.10109	15.8
135.08052	2.8
135.11696	21.9
137.09598	15.0
139.03900	21.0
139.07547	1.9
145.10094	2.6
147.11667	14.0
149.09601	3.7
151.11171	8.2
153.01816	100.0
153.09041	4.2
155.03410	2.2
163.03810	2.9
165.05486	7.0
165.12668	1.9
185.13203	2.1
191.07069	2.6
203.17972	3.0
213.16393	9.1
231.17410	13.0
247.82356	1.8
249.18468	99.3
267.19528	7.2
357.20535	4.3
375.21613	24.3
393.22638	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	393.2272
Annotation	Briarellin K
Peak:m/z	Relative Intensity
53.89372	1.3
55.01862	1.6
57.07076	2.0
67.05508	1.8
69.03432	1.8
69.07072	3.7
79.05502	6.2
81.03387	2.5
81.07059	7.8
83.04977	2.5
83.99904	1.5
91.05460	9.5
93.07043	79.8
95.04947	7.0
95.08597	9.7
97.06512	2.4
105.03390	10.3
105.07021	18.9
107.04945	2.2
107.08595	13.2
109.06519	8.7
109.10165	2.6
111.07993	1.8
113.56586	1.7
117.07014	2.2
119.08588	17.0
121.06493	3.1
121.10142	9.0
123.08057	9.2
125.06043	1.8
125.19780	1.5
131.08562	8.5
133.06500	6.5
133.10143	10.2
135.08083	8.1
135.11729	2.1
137.09688	2.0
139.07475	2.3
143.08549	10.8
144.75293	1.5
145.10117	11.7
147.08046	9.2
147.11658	3.6
149.09628	6.8
151.07555	9.4
155.08559	6.6
156.09329	2.3
157.10136	13.1
159.08105	5.7
159.11697	8.1
161.09619	7.9
163.07576	2.1
167.08516	2.1
169.10132	8.9
170.10934	1.8
171.08069	1.7
171.11697	6.9
173.09644	6.6
173.13272	2.0
175.11226	3.0
177.09116	2.3
181.10139	3.1
183.11606	13.4
185.09602	6.3
185.13324	3.2
187.11156	6.7
193.12140	1.8
195.11740	6.5
197.09630	2.1
197.13260	6.2
199.11176	8.1
199.14815	2.9
201.12749	3.3
203.10625	1.6
207.10117	1.9
209.13298	8.4
211.11285	3.3
211.14850	7.4
213.12772	6.5
215.14226	3.5
221.13200	1.9
227.14334	3.6
229.15900	2.3
239.14307	3.3
239.18059	2.2
257.15332	9.7
267.17499	2.9
285.18521	6.5
297.18472	9.7
303.19525	6.4
315.19571	26.1
317.17572	6.9
333.20663	12.9
358.98752	1.8
375.21643	100.0
393.22702	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	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59028	1.8
69.07085	2.6
74.78765	1.8
79.48487	1.8
81.07019	2.3
83.00638	2.0
83.93999	2.0
95.08644	2.1
104.09747	2.4
111.62201	2.0
117.06950	2.6
138.32645	2.4
369.14609	2.4
393.26138	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	393.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81559	5.4
55.01876	9.3
55.05494	9.8
57.03436	10.0
61.97535	5.3
67.05525	40.8
69.07074	6.6
70.02024	5.2
79.05492	41.3
81.06635	4.9
81.07042	52.0
83.05000	7.2
83.08601	6.8
91.05472	32.0
93.07037	51.8
95.04974	12.9
95.08597	45.2
97.06551	13.1
105.07011	26.3
107.08582	13.4
109.06507	6.5
111.08051	6.3
117.07003	21.3
119.08573	11.4
121.06514	7.4
121.10152	9.8
123.08085	8.0
129.05475	7.1
129.06982	8.8
131.08589	26.8
133.10136	24.7
135.11617	9.4
143.08595	8.6
145.10097	25.7
157.10126	12.4
159.11652	31.8
163.11139	7.2
171.11606	7.1
177.12700	13.0
187.11217	8.7
205.12088	7.5
253.08565	24.2
343.98978	6.3
361.58124	7.5
393.20795	25.9
393.26318	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	393.2635
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
51.17298	1.5
55.01871	8.6
55.05511	4.1
57.03431	12.7
59.06422	2.1
67.05509	24.1
69.07075	20.3
71.08629	30.6
73.02882	2.2
79.05486	10.8
81.03398	4.2
81.07058	13.9
83.04996	4.9
85.06503	2.9
91.05478	43.2
93.07037	17.0
95.04953	10.3
95.08568	4.3
97.06532	8.0
99.08082	14.2
105.07010	19.6
107.08595	9.6
109.06543	4.9
109.10163	3.5
117.07002	14.2
119.08560	45.6
121.06493	8.7
129.05504	4.1
131.08572	8.8
133.10120	34.6
135.08032	4.8
137.09628	9.8
143.08591	5.1
147.08066	2.8
149.09601	3.8
151.11194	9.6
161.09634	21.8
179.10643	7.1
187.11217	3.6
217.15775	2.5
301.21509	18.4
319.22668	5.1
340.98349	2.2
343.22867	2.2
393.26331	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	393.2635
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
55.01865	4.5
55.05500	10.0
57.03433	7.4
61.64307	1.6
62.10457	1.8
62.25578	1.4
67.05505	21.0
69.03390	3.9
69.07074	15.2
71.08630	37.5
79.05492	16.5
81.03407	11.2
81.07066	14.4
83.04964	2.6
85.06544	3.0
87.65995	2.0
91.05463	36.9
91.39422	1.9
93.07021	13.8
95.04943	12.5
95.08592	4.5
97.06513	4.1
99.08097	23.0
105.07034	16.4
107.04954	3.1
107.08566	10.8
109.06519	1.8
117.02654	1.7
117.06996	12.1
119.08571	33.1
121.06518	3.1
121.10112	3.6
129.05463	7.6
131.08542	10.5
133.06377	2.0
133.10120	38.7
135.07994	7.9
135.11671	2.1
137.09637	3.3
143.08521	11.8
147.08067	2.5
151.11183	4.6
157.10072	2.4
159.11681	2.5
161.09596	25.1
163.11232	2.1
167.10603	2.7
179.10655	12.8
187.11179	9.9
217.15862	3.7
275.73358	2.1
283.20261	3.1
301.21582	18.3
319.22595	7.0
393.26306	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	393.3153
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05513	1.9
57.07082	7.9
69.07071	45.6
72.11021	0.7
73.73183	0.7
74.53305	0.7
77.61339	0.8
81.07056	5.7
83.08618	11.8
93.07031	1.1
95.08586	4.9
97.06525	1.8
97.10120	1.0
97.43527	0.7
107.08582	3.4
109.10146	9.6
119.08565	0.8
121.10107	2.0
123.11707	3.1
157.10114	3.2
169.10097	1.4
171.11630	1.3
172.08801	0.9
173.09615	1.8
174.10329	0.8
183.11658	3.2
184.23039	0.8
195.11658	1.3
197.13254	1.5
198.53545	0.8
199.11189	3.2
209.13274	3.3
211.14729	1.3
213.12764	0.8
214.13429	1.4
215.14398	1.7
223.14844	1.3
224.15591	4.9
226.17102	1.0
227.14369	1.2
229.15865	1.0
235.14973	1.0
241.15878	3.1
253.15851	16.1
267.17337	4.4
268.18210	69.5
269.18991	3.2
368.50681	0.9
393.31497	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14716	1.0
62.63623	0.9
63.64185	1.0
67.41853	1.2
68.09032	1.3
85.02910	12.6
91.05466	2.2
97.02888	2.8
99.04516	1.2
116.07056	5.8
119.04922	19.3
137.05972	100.0
139.15991	1.3
145.04961	1.3
147.04402	66.4
151.07574	4.9
151.23051	1.1
153.05447	5.7
171.59708	1.1
179.07022	63.7
181.08536	1.2
197.08083	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14594	1.8
57.65481	1.5
69.03415	3.1
70.77672	1.9
84.04520	3.4
84.08141	32.3
84.66203	1.8
85.02902	13.5
86.09668	2.6
91.05436	3.1
97.02869	2.5
102.09220	2.4
107.04945	3.4
119.04936	31.2
123.04388	3.1
123.58583	2.2
127.03944	2.2
135.04373	18.1
136.73193	2.1
137.05988	40.1
147.04398	100.0
149.05962	11.2
151.07539	10.8
162.41794	2.1
163.03864	2.4
165.40228	1.9
166.05370	1.8
167.07005	20.6
169.13341	3.8
172.61913	2.1
177.05344	2.9
179.07016	94.9
181.04933	7.9
191.07053	2.3
197.08096	3.6
311.11288	9.7
330.20285	3.8
394.19891	11.5
416.54395	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	394.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
68.21254	0.4
71.08620	1.1
77.03142	0.5
79.00833	0.4
79.26522	0.4
84.38783	0.5
92.77962	0.4
109.10172	0.6
124.85201	0.5
127.11184	6.9
136.06184	34.8
244.15553	1.8
262.16611	100.0
267.08194	0.5
277.76831	0.5
281.08215	0.5
298.34076	0.6
307.11765	0.5
394.20847	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
60.04856	0.5
95.04977	0.7
107.04984	4.5
135.08051	100.0
161.09660	1.7
173.09508	0.7
181.67487	0.4
209.11720	88.5
303.78781	0.5
377.19516	5.2
394.22308	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	394.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78709	5.6
55.05503	9.2
57.07060	10.0
66.05426	5.3
69.07056	13.8
79.05505	8.8
81.07048	10.7
91.05491	9.2
93.07033	29.3
95.08593	37.2
103.86132	7.2
105.07023	52.3
107.08616	46.4
109.10136	36.1
117.07088	7.2
119.08558	55.8
121.06491	10.1
121.10135	43.5
123.08057	8.0
123.11668	34.4
123.25823	6.2
131.08533	25.5
133.10100	64.5
135.08051	7.6
135.11723	53.1
137.09590	11.0
137.13210	7.7
140.93396	6.5
143.08566	39.1
145.10106	48.4
147.11760	7.5
149.09537	6.9
155.08531	34.2
157.10100	37.0
159.07986	13.3
159.11731	13.3
161.09627	23.4
169.10136	34.4
171.11697	36.6
173.09703	15.2
173.13234	7.9
175.11145	8.2
181.10118	9.8
183.08063	9.4
183.11723	33.3
185.13268	15.8
187.11206	8.1
187.14828	7.2
189.12807	9.5
193.10080	8.4
195.11636	10.8
197.13248	42.5
201.12689	9.2
211.11159	14.8
211.14853	12.9
213.16458	10.9
221.13181	7.4
223.14687	7.7
225.12752	12.3
231.17441	10.6
239.17906	11.7
252.18736	6.9
253.19576	44.6
257.19067	11.6
263.17877	15.3
271.20532	26.5
281.18964	82.2
299.19907	100.0
317.21222	61.4
341.21179	8.9
351.39639	6.7
359.22098	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37372	2.9
79.03704	3.7
117.16216	4.0
117.56983	3.5
120.08058	5.6
167.12968	3.9
192.79730	4.0
257.69617	3.8
286.06415	16.2
377.08868	4.3
383.05246	4.3
395.07211	100.0
395.16458	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	395.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08481	0.9
57.35839	1.0
63.04736	0.9
64.99830	1.0
68.25431	1.1
71.11422	0.9
89.99677	1.1
110.44560	1.1
115.68420	1.1
143.17299	1.0
179.55437	0.9
211.64952	1.1
302.38010	1.1
395.09503	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	395.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80475	0.8
58.88953	0.9
59.02614	0.8
61.72794	0.8
62.95822	0.9
66.86102	0.9
73.88515	0.8
91.89661	0.9
101.27982	1.0
181.81143	1.0
201.05035	1.0
257.28058	0.9
395.09470	100.0
398.21463	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	395.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13367	0.9
60.89699	0.8
62.77129	0.9
86.85091	1.0
108.65503	1.1
118.68474	1.2
141.79355	1.1
184.47464	1.0
395.09470	100.0
413.62781	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	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25982	0.5
55.18343	0.5
59.31266	0.5
109.08667	0.5
109.56345	0.6
135.70122	0.6
146.00255	0.6
183.41545	0.7
197.60857	0.7
211.84991	0.6
292.64905	0.6
395.13123	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	395.1702
Annotation	Queenslandon
Peak:m/z	Relative Intensity
51.08973	0.4
55.01859	0.6
56.67621	0.7
58.19586	0.5
61.75137	0.6
67.16474	0.5
72.97054	0.5
79.05482	0.7
80.07738	0.5
87.37419	0.6
91.01965	0.6
91.05470	1.0
95.04916	0.7
96.65808	0.6
103.05489	0.7
105.06999	1.1
109.06476	0.7
119.04930	2.3
121.06484	4.0
125.05975	0.7
131.04921	1.1
133.06532	2.2
134.07323	0.7
135.04422	1.0
136.08752	0.7
137.05962	3.4
146.07275	8.2
147.04498	0.6
147.08029	3.5
149.06006	5.7
151.03809	0.7
151.07501	1.2
153.05400	0.7
161.05951	1.4
162.06833	1.0
163.07384	0.9
165.05470	3.1
167.07047	0.6
172.49925	0.6
177.05473	5.1
177.09116	2.8
211.07529	0.9
213.09081	1.1
243.10257	0.7
253.08640	0.8
254.09277	0.7
271.09686	8.9
281.08185	1.2
282.08817	10.9
285.11389	0.9
287.12982	0.7
291.10162	0.7
296.10455	3.9
297.11209	100.0
311.12830	3.1
315.12347	5.6
323.12738	8.2
333.13342	4.4
341.13873	13.3
359.14877	4.1
377.15863	0.7
395.16479	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	395.243
Annotation	Arthrobotrisin A
Peak:m/z	Relative Intensity
51.52833	1.3
55.05504	2.8
67.05211	1.7
67.05511	25.9
69.07068	7.0
71.08651	1.3
75.95818	1.3
77.05364	1.6
79.05479	9.6
79.52554	1.5
81.07063	27.9
83.08622	3.0
91.05478	6.9
93.07034	20.8
94.92480	1.4
95.08604	32.2
97.06533	5.7
97.10118	2.3
100.77141	1.4
105.07043	2.3
107.08564	10.0
109.10136	18.3
111.08103	3.5
119.08559	2.5
121.10130	12.7
123.11700	5.3
127.03907	19.2
133.10114	10.6
135.11679	11.8
137.09648	2.7
139.03900	21.3
145.10095	3.5
147.11697	2.2
149.13268	2.4
151.11227	1.8
153.01822	100.0
153.05463	1.6
159.11736	1.8
163.03944	1.6
165.05412	6.9
181.04936	3.4
187.08978	1.6
215.17986	8.9
233.18951	7.5
251.20049	27.3
357.82883	1.7
359.22153	9.4
377.23160	55.2
414.95712	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	395.2791
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
55.01858	2.0
55.05518	4.0
57.03434	3.9
57.07063	1.6
62.24150	1.6
67.05502	19.1
69.07066	8.3
71.05006	1.9
71.08261	2.9
71.08630	67.6
72.55838	1.6
79.05492	20.6
81.07069	20.5
83.04974	3.1
85.06529	2.1
85.28828	1.6
89.96870	1.5
91.05493	16.3
93.07048	18.9
95.04942	9.4
95.08611	14.5
97.06526	19.3
99.08095	34.3
105.07029	22.6
107.08591	9.6
109.10152	9.3
109.78800	1.8
117.07001	10.7
119.08543	17.5
121.10168	15.3
123.11687	1.6
124.15865	1.5
127.03914	24.0
127.11194	3.1
129.06987	8.8
131.08557	21.9
133.10136	6.6
135.11684	3.9
139.03853	6.3
143.08566	6.5
143.10669	4.0
145.10104	18.0
147.11679	9.5
149.09627	3.7
151.11191	9.7
153.01837	6.8
153.12770	2.4
159.11671	8.7
161.13246	2.7
163.11153	3.0
169.10132	2.3
171.11679	56.9
177.12729	2.1
183.11659	3.3
185.13074	5.5
187.14847	14.6
189.12727	13.3
189.16418	3.2
195.45198	1.7
197.13237	3.7
201.16417	7.5
205.15944	12.4
219.17458	15.0
267.21027	8.5
269.82944	1.7
285.21988	13.8
298.61359	1.9
303.23141	14.0
321.24295	2.7
359.75519	2.0
377.26923	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	395.2792
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
56.84149	6.2
57.03431	29.8
57.07084	8.8
58.24932	6.3
61.34389	7.1
66.42817	6.2
66.43292	6.9
67.05515	60.9
69.94325	6.4
79.05481	30.5
81.07059	64.4
91.05486	9.8
93.07032	45.2
95.08607	43.3
96.09506	7.2
107.08586	39.0
109.10152	28.2
110.24039	6.4
117.05482	100.0
119.08528	7.4
121.10120	42.7
123.11700	10.4
131.08559	13.4
133.10104	14.2
135.11661	17.5
145.10133	11.1
149.13220	30.2
159.11737	7.3
261.22141	68.4
283.19324	8.1
335.25958	14.9
362.09750	9.4
377.27017	14.7
395.27960	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2795
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
51.32740	7.8
55.05504	11.7
56.30816	8.4
57.03437	19.4
59.86320	9.4
67.05499	59.7
69.07071	38.6
71.04982	40.9
71.08654	18.7
79.05491	19.8
81.07050	53.6
83.04990	17.6
83.08629	19.2
91.05486	56.7
92.17831	18.2
93.07031	71.4
95.04861	8.4
95.08591	43.8
97.06518	11.9
99.04455	16.3
99.08082	15.4
105.07050	18.2
107.08611	12.3
109.10152	18.2
110.19749	10.3
114.86267	10.7
117.06994	13.0
119.08571	40.5
121.10141	21.9
129.05495	10.3
131.08559	40.9
133.10133	39.4
135.11676	16.3
137.09566	11.5
139.11195	12.6
147.11673	13.1
151.11221	11.8
157.10193	9.5
159.11690	13.7
161.09674	16.1
163.11209	10.8
171.11665	18.2
173.08089	15.8
185.13249	13.5
253.14326	11.5
285.22076	16.7
295.19107	22.0
303.23163	23.6
377.26767	53.0
395.27823	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	395.2794
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
55.01877	20.6
55.05503	26.7
57.03432	31.9
60.62522	5.6
63.38719	5.9
67.05505	73.1
67.27933	6.0
69.03401	6.3
69.07059	30.6
69.86607	4.7
71.04997	41.9
71.08624	38.9
74.09168	4.4
74.50365	5.0
79.05490	57.2
81.03436	5.5
81.07059	100.0
83.04979	25.5
83.08628	27.5
85.06548	6.7
91.05476	69.4
92.18603	10.5
93.07047	78.8
95.04947	12.6
95.08604	57.5
97.06514	23.4
99.04438	27.8
99.08070	9.8
105.07030	51.5
107.04935	7.6
107.08591	32.7
109.06530	9.4
109.10155	27.8
117.07012	32.0
119.08580	80.8
121.06551	5.8
121.10120	51.9
123.11763	6.9
125.09645	6.2
129.05470	28.2
129.06992	18.5
131.08557	46.6
133.10141	67.7
135.08058	12.8
135.11719	8.5
136.37033	5.6
137.09572	8.0
139.11224	8.6
143.08572	22.6
145.10114	27.2
147.11668	27.1
149.13284	9.9
151.11183	13.2
153.01852	24.3
159.11678	31.6
161.09662	10.3
161.13252	8.2
163.11177	9.6
171.11725	42.3
173.08168	12.3
173.09677	5.0
173.13298	9.2
173.41005	5.1
183.11688	5.5
185.13287	30.1
187.14893	20.8
189.12729	23.3
201.16418	7.4
203.14354	11.7
213.16370	6.5
233.18889	8.2
238.21597	5.7
285.22180	29.0
286.84039	5.1
295.19092	42.4
303.23236	22.5
341.21118	7.9
357.46121	6.8
359.21997	12.0
377.23108	32.9
377.27374	49.8
395.23441	14.5
395.24820	15.9
395.28223	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
55.35721	3.6
57.07064	5.9
58.49505	3.2
59.19322	3.2
67.05504	6.7
69.07063	18.0
71.08625	17.1
71.35435	3.4
79.05493	5.7
81.07059	47.2
83.08620	9.3
85.10181	7.2
93.06995	5.8
95.08598	27.4
97.10156	5.8
105.07024	17.6
107.08577	22.5
109.10194	14.5
110.86591	3.9
117.07036	9.3
121.10136	7.8
131.08548	7.1
133.10130	27.1
145.10120	43.4
147.11674	19.3
149.13303	5.8
157.10080	4.0
159.11700	29.3
161.13315	5.8
173.13286	6.2
185.13168	4.8
395.32306	5.2
395.36765	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	396.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79512	2.7
55.05500	2.9
57.07061	3.1
58.52343	3.4
65.70187	3.0
69.07054	15.4
78.42591	3.6
79.05472	7.3
81.07040	22.3
83.08603	6.0
91.05481	4.9
93.07028	16.9
95.04955	8.6
95.08615	28.7
97.06503	4.0
105.07003	27.4
107.08582	42.3
109.06502	3.5
109.10117	8.0
117.07018	4.9
119.08553	39.5
121.10139	22.0
123.08109	4.5
123.11716	14.6
131.08537	15.1
133.06488	5.2
133.10158	39.5
135.08034	100.0
135.11665	24.0
137.09683	4.4
143.08556	47.6
145.06438	5.3
145.10098	42.2
147.11652	23.1
157.10143	16.0
159.11656	20.9
161.09579	30.1
161.13220	5.1
163.11160	24.2
169.10077	8.4
171.11682	22.5
173.13188	8.9
175.14746	4.7
179.10580	3.6
183.11606	7.8
185.13266	18.8
187.11113	5.6
187.14777	5.8
189.12770	4.0
196.12534	4.4
197.13199	7.0
199.14798	16.0
205.12070	5.4
209.13272	15.4
213.16266	4.9
223.14795	7.3
225.16367	3.8
227.14229	6.7
239.18010	5.3
241.15816	6.8
255.21063	9.0
265.19366	33.4
283.20523	94.9
295.82358	4.2
301.21646	38.8
325.21573	5.8
343.22635	51.3
396.27328	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	397.1282
Annotation	Parimycin
Peak:m/z	Relative Intensity
53.68907	1.0
54.29035	1.2
54.62368	1.0
55.65806	1.0
67.64278	1.1
71.59040	1.0
73.93575	1.1
83.28345	1.2
88.84829	1.3
93.03378	1.5
95.04941	1.3
105.03365	1.2
107.04962	52.0
119.04969	1.8
123.04411	2.7
175.31075	1.5
191.07016	15.4
213.05502	10.1
215.07150	5.0
217.08591	1.5
221.57784	1.2
225.05412	1.4
227.07120	1.8
229.08522	15.5
233.08124	1.6
239.06949	4.8
241.05069	2.4
242.05760	7.5
243.06511	18.1
245.08168	2.6
255.06549	14.6
257.08038	27.9
261.07446	9.5
267.06525	9.6
277.12146	1.7
285.07562	13.0
308.10446	5.9
309.11111	18.1
318.08585	1.4
333.11215	18.0
346.08218	4.7
350.77319	1.3
351.12244	7.6
361.10693	27.5
379.11749	40.2
397.12784	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	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
53.79989	0.7
56.35820	0.7
63.08849	0.7
64.32230	0.6
67.30203	0.7
73.12135	0.7
81.68409	0.9
101.27351	0.8
122.26145	0.8
123.04424	2.7
127.04900	1.0
275.05630	0.9
280.54721	0.8
287.05536	1.2
397.09698	4.4
397.14618	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	397.1647
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
53.04768	0.8
81.07049	1.1
91.05465	1.8
103.05468	0.9
105.07052	1.1
107.04942	1.1
109.10136	1.8
111.04459	0.8
114.09127	4.3
119.04913	3.6
129.07002	3.1
131.08537	1.4
133.06445	1.1
133.10127	1.3
137.05975	45.2
143.08571	1.4
147.04318	1.6
147.07974	0.9
149.05919	4.5
151.07477	4.9
157.10172	1.0
159.08040	3.9
161.06000	8.6
172.08806	1.0
173.09547	1.7
175.07527	1.6
184.08791	1.0
185.09560	3.4
187.07504	2.0
187.11047	1.4
189.09105	1.0
189.12642	1.3
191.06979	3.8
194.07310	1.0
197.09595	6.1
198.06746	9.1
199.07520	5.5
200.08243	0.9
201.09090	1.7
211.07509	1.0
213.09065	15.7
215.10620	5.5
225.09100	7.5
229.08447	1.2
243.10161	10.8
245.11636	1.1
255.10097	3.6
258.10336	0.9
261.09091	1.2
273.11227	29.7
275.10583	1.0
277.08649	1.4
289.12183	1.4
291.10092	3.6
293.08185	1.1
293.11661	2.0
295.09625	1.2
297.11053	0.9
303.10089	1.9
307.09604	5.0
308.10242	1.5
317.11670	1.6
321.11111	5.1
325.10794	1.2
333.11026	1.7
334.11844	1.5
335.12695	4.6
339.12192	1.0
349.14389	1.4
351.12115	4.3
353.13715	1.4
354.14716	9.4
379.15710	6.2
397.16415	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	397.1646
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
53.06281	1.6
60.37738	1.3
66.10169	1.3
91.05491	1.8
107.31703	1.5
109.06632	1.4
119.04921	3.3
131.08545	2.4
137.05974	52.4
149.05980	2.4
151.07520	8.1
159.08055	2.1
161.05916	7.6
165.06998	2.2
175.07477	2.7
185.09598	1.7
187.07545	2.2
191.06976	5.5
197.09576	3.6
198.06668	8.2
199.07455	2.5
210.06607	1.4
213.09116	17.4
215.10654	3.2
225.09058	10.4
243.08015	1.8
243.10153	14.9
247.11502	1.4
250.37677	1.4
255.10181	2.1
257.09601	1.9
273.11276	32.9
277.12067	2.2
285.09067	1.9
289.08597	2.1
291.10062	7.1
303.10138	2.5
305.11609	3.6
307.09564	7.6
308.10428	2.9
309.11206	1.6
313.45630	1.5
317.11703	1.8
319.09647	2.4
319.13098	1.8
320.10367	3.4
321.11057	7.9
333.11221	2.4
334.11774	2.7
339.12097	2.8
348.13605	1.8
349.14243	2.3
351.12088	5.7
353.13843	2.9
354.14499	13.0
379.15451	10.3
397.16382	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	397.1646
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
57.81845	1.0
60.93950	0.8
61.16103	1.2
66.82809	1.2
71.92776	0.9
85.02914	4.0
86.09937	0.9
91.29243	0.9
92.17920	1.4
97.02891	1.0
119.04956	4.5
122.03618	1.6
129.07022	1.9
131.08580	2.0
137.05972	54.2
140.97745	1.1
147.04459	1.2
149.05988	2.3
151.07527	10.4
155.08591	1.3
157.06497	1.7
159.08072	2.1
161.05977	10.8
161.09637	2.1
163.07500	1.4
175.07539	2.1
182.07172	1.9
185.09679	4.4
187.07553	3.6
189.09143	1.6
191.07054	2.3
194.07268	1.0
197.09563	7.8
198.06757	7.8
199.07613	6.5
201.09189	1.5
210.06754	1.4
211.07533	1.2
212.08250	2.0
213.09105	19.3
215.10760	5.1
217.08600	1.4
217.15857	1.6
225.09036	8.9
229.08366	1.5
243.08101	1.6
243.10143	11.9
247.09575	11.8
255.10190	4.8
259.09845	1.4
261.09097	1.6
273.11237	35.1
276.07739	1.2
277.10745	12.6
287.12997	1.1
289.08536	1.7
291.10233	6.1
292.11169	1.2
293.08249	1.8
293.11841	4.2
301.10901	2.1
303.10220	2.3
306.08963	1.3
306.12442	1.1
307.09497	8.2
308.10556	5.3
309.11313	1.4
317.11938	1.2
319.09689	1.4
320.10526	1.7
321.11069	6.9
325.10977	1.5
331.11945	1.4
333.11340	1.7
334.12054	1.8
335.12958	4.2
336.13672	1.4
337.14194	1.2
339.12283	1.8
349.14462	1.7
351.12473	5.5
353.13733	1.3
354.14661	9.6
361.13205	4.4
367.15411	2.4
379.15097	8.3
397.16437	100.0
397.21982	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	397.1858
Annotation	Sculponeatin D
Peak:m/z	Relative Intensity
52.16901	0.9
69.03397	1.0
74.92219	1.0
79.05498	2.3
81.07050	2.1
87.88564	1.0
90.15347	1.0
93.07060	8.5
95.04978	8.5
95.08569	2.1
105.07032	8.9
107.04961	24.2
107.08643	1.3
109.06522	10.2
115.40006	1.0
119.08583	21.5
121.06507	12.8
121.10146	37.8
123.04401	2.1
123.08040	8.6
125.05953	13.3
133.06477	5.4
133.10110	2.5
135.04428	1.6
137.05983	2.4
139.03896	1.4
143.08569	1.6
145.10139	2.3
147.08044	35.6
149.05956	5.4
149.09598	12.0
151.07549	3.9
156.09273	1.2
157.10146	2.5
159.08051	5.2
159.11774	1.9
161.05888	1.6
161.09506	1.4
165.09105	41.2
167.07045	1.9
171.07991	1.6
171.11707	2.0
173.09630	4.8
173.13232	4.3
183.11734	1.5
185.09630	3.6
185.13257	1.2
189.09157	1.3
189.12686	4.5
191.10664	2.1
195.11749	1.9
197.09570	1.2
197.13289	1.2
199.11206	5.9
203.10605	1.8
211.11188	2.5
213.12753	1.7
214.13440	1.1
215.10765	1.5
215.14323	5.8
217.12236	4.3
219.10068	1.4
220.12398	1.1
223.11215	4.0
227.14212	2.4
229.15733	1.2
231.13821	1.1
237.11012	1.4
241.12277	1.4
241.15894	1.3
243.13914	1.1
245.15208	1.2
251.14290	1.6
251.21088	1.2
257.11823	2.2
259.13293	45.6
269.15308	2.3
271.16830	1.7
275.12796	2.6
279.13861	2.3
281.15494	1.2
289.14484	1.5
297.14804	1.9
299.16516	2.2
313.14557	3.3
313.17938	1.1
315.15866	36.0
317.13757	6.7
317.17435	4.0
325.14560	1.7
331.15448	1.7
333.17065	1.8
335.18420	5.9
343.15411	21.6
350.80853	1.1
361.16461	34.1
379.17487	13.2
397.18564	100.0
400.95670	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	397.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.9
59.28361	3.4
67.60897	3.2
70.68227	3.4
75.41206	3.9
80.17168	4.5
81.07064	4.6
91.05490	7.3
93.07054	6.3
95.04905	5.0
95.08528	3.8
97.06524	7.2
105.07019	10.3
106.59232	3.9
107.08578	22.1
119.08588	15.9
121.06531	6.5
121.10140	4.6
131.08560	17.6
133.06531	4.3
133.10107	5.3
133.23204	4.8
135.08037	9.6
143.08585	17.2
145.10039	4.7
147.08080	9.1
149.09587	22.2
157.10117	6.0
159.08055	6.1
161.09631	16.3
163.07510	4.4
163.23067	4.3
167.08562	4.6
169.10133	9.7
170.10832	4.7
171.07977	6.1
171.11748	5.2
173.09592	5.9
177.09108	18.0
179.08614	8.5
181.10121	9.2
183.11716	7.0
185.13206	4.0
192.09348	6.7
193.10126	9.1
195.11685	5.5
197.09648	9.0
198.08038	4.3
199.11227	4.7
207.11690	25.3
209.09619	4.9
209.13254	10.1
215.10741	5.7
217.10255	5.0
219.11673	16.2
220.12474	17.7
221.13284	5.9
223.11153	4.9
223.14865	5.7
225.12811	6.6
228.33527	4.9
234.14064	21.0
235.11214	5.1
235.14796	6.0
237.12674	15.3
244.12424	9.1
247.11139	17.6
249.16441	28.2
251.14330	9.1
253.15839	7.3
261.12708	8.0
262.13599	26.0
267.17480	23.6
277.15872	79.4
295.16949	57.7
313.18008	6.6
337.17920	46.0
355.19037	57.3
397.20026	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	397.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19634	2.3
56.92043	2.3
57.08533	2.2
67.38093	2.7
79.05485	5.3
85.02905	28.4
90.23933	2.7
91.05453	6.7
93.06999	6.3
95.04942	3.9
95.81510	3.1
96.58360	2.4
105.03381	3.3
105.07034	11.6
117.06988	6.3
119.08569	17.3
121.06493	3.8
121.10077	3.2
131.08568	11.7
133.06479	3.4
135.08022	3.5
143.08469	3.2
145.06470	6.8
145.10136	3.7
147.08058	12.7
154.07698	3.4
155.08545	5.7
157.10060	6.0
159.08054	5.6
159.11639	5.0
161.09610	5.3
169.10083	18.6
171.07993	5.3
171.11719	5.2
179.08542	3.8
181.09991	11.0
183.11591	11.4
187.11203	5.2
192.09303	14.9
193.10110	14.6
194.10884	3.6
195.11693	15.0
197.13141	3.3
199.11197	4.0
200.70622	3.2
207.11699	29.3
208.12523	3.1
209.13240	6.6
211.11169	10.7
211.14757	17.4
219.11635	4.6
221.13210	4.8
223.11206	11.6
223.14830	4.4
225.12666	14.6
234.14017	15.2
235.11131	10.5
235.14767	4.9
237.12776	5.2
237.73792	2.9
238.13498	3.2
239.14301	3.3
247.11148	5.6
248.12061	4.0
249.16298	21.2
251.14217	11.7
253.12248	6.0
253.15892	6.2
259.14749	6.8
262.13571	4.9
267.17361	15.5
277.15829	44.9
295.16916	100.0
313.17966	6.5
337.17963	34.7
355.19000	35.3
397.20016	96.9
404.52576	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	397.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04331	2.8
69.07086	3.7
77.16434	3.7
97.06540	7.5
119.08569	6.6
123.08106	5.6
129.07011	4.8
133.06512	3.9
133.10187	4.0
159.08115	5.9
169.10190	4.8
171.08041	4.1
171.11707	4.3
181.10196	4.6
184.91743	3.3
192.09291	4.3
193.10220	8.0
195.11693	8.4
197.09607	14.6
197.13295	5.2
207.11641	25.6
209.09720	3.9
209.13205	5.8
211.11259	3.7
215.10802	4.8
219.11824	7.9
220.12541	5.6
221.13266	17.4
223.11206	5.3
223.14790	4.7
232.12402	5.8
233.13231	4.2
234.14098	21.6
235.11327	6.1
235.14902	15.2
237.12807	5.5
239.10742	4.2
244.12535	15.7
247.11275	5.9
247.14703	4.2
249.16441	22.3
251.14401	6.8
259.14810	6.6
261.15988	4.0
262.13489	28.5
267.17508	15.4
277.15891	61.9
280.14621	7.7
295.16922	60.0
313.17996	5.8
337.17841	32.2
344.62982	4.0
355.19037	25.1
397.20120	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	397.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
67.05511	0.5
68.28035	0.4
69.03423	3.2
83.04980	0.9
91.05472	0.6
95.04970	1.1
105.28374	0.5
105.41151	0.5
107.08582	2.1
111.04462	0.5
119.08576	100.0
133.06479	2.7
135.08075	0.9
157.10181	0.7
171.11679	0.6
199.11227	0.5
258.90042	0.5
305.76971	0.5
344.51602	0.5
397.20023	8.9
397.24374	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	397.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70603	3.0
58.58729	3.0
69.07047	4.6
79.05437	3.3
81.07036	3.1
83.04985	5.6
83.38593	3.3
93.07023	3.7
95.04946	6.2
95.08575	6.1
97.06533	23.4
105.07046	13.5
111.04446	18.5
119.08600	23.6
123.08055	12.3
131.08554	14.1
133.06485	33.0
133.10158	4.6
135.08061	7.9
137.09633	4.2
143.08598	17.6
149.09613	4.4
155.08501	7.3
157.10139	15.3
159.08075	18.1
161.09618	6.3
167.08620	4.4
169.10092	6.8
171.08034	6.6
171.11723	15.2
173.09622	5.2
181.10156	5.1
183.11705	16.7
185.09575	4.3
187.11188	7.1
193.10118	6.9
195.11725	14.5
197.09619	32.3
197.13303	6.3
199.11115	5.6
207.11646	31.0
209.09692	4.3
209.13293	17.9
211.11148	13.8
213.12732	6.1
219.11740	14.0
220.12444	7.8
221.13243	14.1
223.11130	14.1
225.12733	8.4
225.16400	5.3
233.13214	4.8
234.14056	15.2
235.11192	8.0
235.14803	16.1
237.12772	14.7
244.12422	17.2
247.11107	7.2
247.14902	5.1
249.16364	20.2
251.14250	15.4
253.15948	23.4
259.14713	6.2
262.13562	19.2
265.15753	6.7
267.17435	28.4
277.15851	50.9
294.15912	3.5
295.16895	93.8
311.16547	3.8
313.18042	13.7
319.16833	4.4
337.17935	70.1
355.19064	38.4
397.20068	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	397.2222
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
57.03423	3.1
59.28181	0.7
60.53060	0.7
61.02912	4.8
66.28033	0.8
69.03430	16.6
69.07069	0.9
69.81947	0.7
71.04980	1.0
73.02912	3.5
81.03054	0.8
81.03427	13.2
81.07079	1.3
84.61710	0.8
85.02907	40.4
87.04460	6.7
91.03944	3.8
93.07037	1.3
95.04939	5.2
95.08616	2.0
95.17701	0.9
97.02895	14.3
99.04420	4.2
105.07001	2.1
107.08567	3.6
109.02854	5.5
109.06514	4.4
109.10156	1.6
119.08570	5.6
121.06521	1.3
121.10132	2.7
122.81952	0.8
123.11677	5.6
127.03909	14.4
131.08540	2.0
133.06502	1.1
133.10104	2.0
135.08075	1.1
135.11673	3.9
137.09528	0.8
145.04990	6.6
145.10143	1.9
147.08060	7.6
153.15056	1.1
159.11687	1.7
161.09576	4.1
171.11650	1.0
173.13177	1.4
187.14746	1.2
189.16380	1.3
199.14850	3.3
217.15833	12.6
249.14769	1.0
397.17175	3.4
397.22165	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	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.6
56.66972	1.9
67.05505	11.8
68.71152	2.1
68.83490	1.8
69.07076	19.4
77.78650	2.1
79.05478	2.1
81.07060	15.1
83.08595	11.8
93.07037	5.2
93.66125	2.0
95.08587	17.4
97.10145	12.3
99.29041	2.0
99.80333	2.1
107.08554	2.5
109.10152	12.1
119.08587	3.7
121.10126	8.6
122.58095	2.0
123.11687	3.1
127.03913	100.0
133.10147	3.8
135.11699	5.2
139.03931	16.2
153.01826	81.0
153.12813	2.2
155.03384	2.7
181.04961	9.5
181.13986	2.3
217.19490	4.0
235.20573	9.7
251.00543	2.2
253.21666	5.1
295.16968	3.4
358.55795	2.3
379.24747	23.0
397.20135	3.9
418.84015	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	397.2585
Annotation	Rollicosin
Peak:m/z	Relative Intensity
55.05513	11.0
67.05515	11.5
69.07069	23.1
81.07063	17.0
83.08614	12.7
84.68105	1.8
85.06568	2.5
91.05466	3.6
93.07028	6.6
95.08603	19.8
97.06548	2.2
97.10169	14.0
105.07021	3.0
107.08576	6.8
109.10159	12.4
111.11734	3.3
119.08585	2.9
121.10131	9.0
123.11715	2.2
126.50867	1.5
127.03906	100.0
133.10127	2.1
135.11728	7.0
139.03909	17.0
147.11682	3.3
153.01828	81.5
153.03096	3.0
153.05423	1.7
153.12730	1.8
155.03334	2.5
158.67918	1.6
161.13251	6.1
165.05557	5.5
175.53232	1.6
177.05496	2.1
181.04880	2.9
217.19438	6.5
235.20560	7.9
253.21638	10.1
258.61633	1.6
295.17072	2.2
296.46454	1.7
355.19128	2.6
361.23795	2.0
379.24820	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.9
58.42886	0.4
60.85298	0.4
67.68896	0.5
74.09342	0.7
74.09721	11.7
98.97598	2.6
136.60347	0.5
147.94205	0.6
148.70685	0.4
156.04208	0.5
169.00987	0.5
174.04335	6.3
181.78668	0.5
192.05457	2.0
195.35800	0.5
203.99591	0.5
216.05429	100.0
228.05446	0.5
230.06944	5.8
232.88759	0.5
234.06477	19.2
234.08804	0.8
242.07025	3.2
248.08014	3.0
278.09067	2.3
338.11203	52.3
355.30927	0.6
398.13297	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	398.1494
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
57.03427	0.9
60.84708	0.6
61.80188	0.6
65.49020	0.5
72.89375	0.6
73.02913	0.8
74.58021	0.5
81.84797	0.5
85.02883	1.3
109.47028	0.6
124.03936	1.1
128.20943	0.5
135.18214	0.6
151.11122	0.8
165.02261	0.7
182.04948	100.0
194.04967	1.2
205.05438	1.0
213.07774	0.7
231.06943	8.4
248.09621	15.7
256.57703	0.6
261.08582	3.8
266.10678	69.8
295.21881	0.6
360.77576	0.7
389.19568	0.7
398.14792	49.9
408.83374	0.6
409.23959	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	398.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84782	0.4
59.05005	35.2
60.09749	0.4
69.03414	1.9
71.35828	0.4
73.02895	0.7
81.03418	2.9
85.02887	3.3
87.79831	0.5
89.49061	0.5
97.02880	4.5
99.04466	1.2
101.06017	16.4
109.02888	3.0
115.03903	4.2
122.79904	0.6
127.03883	1.3
129.05470	100.0
134.36696	0.6
145.04929	2.8
147.06514	19.3
184.47125	0.7
273.09802	4.0
291.10687	10.3
364.44223	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16506	1.6
53.36565	1.7
55.01876	2.7
57.03445	25.9
61.02930	14.4
69.03432	34.3
69.07062	57.3
71.04967	2.6
73.02915	81.4
81.03407	2.7
81.07085	2.2
83.04970	2.8
85.02908	100.0
85.06522	2.5
86.16068	1.6
87.04453	4.7
91.03892	2.6
95.08609	2.2
97.02888	63.5
99.04471	4.6
103.03914	7.1
103.07572	13.8
104.07928	4.3
105.13639	2.1
106.02974	2.0
107.08604	2.2
109.02913	16.1
109.10152	3.2
115.03925	47.0
124.03861	2.2
124.07574	4.0
127.03894	35.8
133.04956	16.2
134.06042	18.2
137.09593	3.4
145.04953	40.4
147.04391	8.6
149.06009	2.1
150.07634	2.9
153.90952	1.9
155.10707	3.2
162.05495	9.3
163.06007	17.4
165.09081	13.5
183.10204	4.4
195.64053	2.0
201.11165	10.1
204.06548	9.7
214.40903	1.9
219.12373	2.2
223.05940	2.4
229.62955	1.9
231.12187	2.7
241.07146	3.0
249.13322	2.4
259.08185	11.3
295.10217	25.4
342.10614	3.2
348.25809	1.9
375.05362	3.2
398.14786	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02732	1.3
76.87654	1.4
91.35538	1.4
93.37289	1.5
98.97577	57.5
106.02660	1.6
116.98618	17.8
134.99641	2.2
190.95378	1.9
214.95314	2.5
232.96454	6.9
256.96414	35.7
258.99664	2.5
274.97485	100.0
292.98560	33.3
398.97464	11.0
416.98712	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	399.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69724	0.9
66.13978	0.9
69.03431	2.0
72.93788	1.6
73.02896	1.0
75.62255	0.8
81.03408	1.0
83.04983	1.5
85.02885	7.0
86.74457	1.0
87.04454	1.4
90.94804	1.4
97.02873	4.8
109.02895	1.3
115.03879	1.2
123.04424	5.9
124.03937	1.6
126.57977	1.1
131.04939	1.2
132.10231	1.8
132.95872	8.2
133.02817	4.3
135.08038	2.0
136.06175	1.1
140.96271	1.2
144.95845	2.5
147.04399	1.0
158.97404	25.2
158.98631	1.9
161.05962	1.7
170.97375	4.5
174.96866	1.4
176.98413	5.6
186.96910	6.5
194.97401	28.5
198.96933	6.8
203.07010	1.7
212.98434	10.6
216.97946	15.9
219.13832	1.6
234.98782	41.0
236.98361	4.0
237.02092	14.2
237.14633	1.2
238.94946	1.2
248.98409	1.8
250.09250	1.4
250.99892	1.3
253.01692	9.7
255.03123	13.0
259.97656	2.5
262.99811	1.8
268.08310	2.3
272.98520	9.5
279.03110	1.9
297.04178	1.6
315.03174	5.9
326.00885	2.0
333.03940	1.3
339.01773	2.1
381.06177	3.9
399.07355	100.0
399.16092	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	399.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65989	0.7
56.05050	0.7
61.99940	0.8
69.02856	0.8
69.03420	3.9
71.04986	1.6
72.93785	1.0
73.18013	0.8
74.84306	0.8
74.95287	0.9
81.03407	1.5
85.02876	3.8
87.67930	0.9
90.94820	1.0
92.24994	1.1
93.07027	1.2
97.02876	2.1
99.04454	1.4
106.02931	2.1
109.02866	1.3
119.08548	1.1
121.10119	1.3
123.04411	6.2
124.03915	1.4
127.03908	1.9
128.96335	1.1
132.43896	0.9
132.95807	8.8
137.05972	1.1
140.96353	1.7
144.95827	4.8
149.09619	1.3
151.01779	1.0
158.97400	25.6
161.09575	1.3
170.97365	3.5
173.13275	1.3
174.96825	1.2
176.98476	4.9
186.96886	6.2
188.98401	1.3
189.12799	1.0
194.97408	28.2
198.97002	6.7
201.12779	1.1
212.98428	13.2
216.97911	18.8
219.13921	1.9
220.32524	0.8
234.98767	43.2
236.98477	4.9
237.02081	14.3
237.07562	1.3
237.10954	1.2
237.14890	1.7
248.98450	4.4
250.99992	1.0
253.01758	10.0
255.03090	17.2
259.97797	1.5
272.98453	12.4
279.03162	3.9
285.99289	1.0
291.03110	2.0
297.04178	2.1
308.66714	0.8
315.03287	4.9
326.00739	4.9
333.04276	4.5
339.01706	4.1
357.83136	1.0
364.53128	1.0
381.06335	3.5
397.05609	1.6
399.07370	100.0
399.15897	35.1
399.20157	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	399.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54005	1.6
63.36027	1.8
156.03587	3.8
182.80922	1.7
183.49333	1.8
251.04367	2.5
255.23787	2.0
293.14282	1.9
381.96170	2.2
399.10422	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	399.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
59.04987	10.5
69.03419	2.2
71.04970	2.6
83.04990	4.9
83.36224	2.4
85.02883	3.5
88.02069	3.0
97.02907	4.7
101.05994	13.9
119.07005	2.5
127.90194	2.2
132.95776	2.8
136.06165	2.9
188.98447	4.1
192.81142	2.5
219.01700	2.7
219.07069	2.8
229.10793	2.6
244.58020	2.6
250.09348	3.5
255.01619	11.1
322.21588	2.5
380.14932	2.7
381.13220	2.7
399.06052	8.2
399.10388	100.0
399.18280	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	399.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64367	1.4
76.80487	1.9
97.02896	2.1
99.18216	1.8
110.97613	1.6
134.38919	2.0
136.06213	2.4
139.91861	1.8
189.11082	2.0
219.01964	1.8
249.86716	1.8
399.11829	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	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77674	0.5
57.16276	0.6
61.30486	0.6
68.27342	0.5
71.39714	0.5
98.97568	0.9
145.62436	0.6
219.47202	0.6
381.11163	1.0
399.12607	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	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25656	0.3
90.20948	0.3
97.67760	0.4
136.63663	0.5
163.98148	0.4
172.16696	0.4
216.57477	0.4
265.65067	0.4
307.32596	0.5
352.05563	0.4
399.12589	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	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25103	0.7
65.50535	0.7
74.47444	0.9
79.59101	0.9
92.17715	0.8
97.02872	1.4
120.54760	0.8
136.06181	1.0
183.77370	0.8
202.14461	0.9
359.75021	0.8
399.12665	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	399.1448
Annotation	S-Adenosylmethionine
Peak:m/z	Relative Intensity
56.05036	15.4
59.87630	0.9
61.01143	5.3
68.67848	0.8
69.03415	5.2
70.06573	1.4
72.08134	5.8
74.02424	1.5
74.06070	5.0
75.02696	1.8
76.17162	1.0
84.08167	0.9
85.02895	5.5
86.09704	1.3
89.54662	1.0
97.02886	84.7
98.97546	1.5
102.05535	37.4
116.07056	1.8
117.07444	1.6
122.07166	1.1
127.03910	1.1
134.05997	1.0
136.06178	83.8
145.03207	1.7
146.46306	1.1
158.99625	1.3
163.04248	1.4
169.04443	1.3
178.04929	3.8
219.01834	1.5
219.07890	1.2
220.08333	1.5
237.02812	1.4
237.08655	1.2
250.07060	5.0
250.09314	100.0
264.08957	6.9
298.09659	21.8
337.04306	1.2
394.22791	1.1
399.05878	1.3
399.13635	18.0
399.19354	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	399.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07957	1.2
54.53526	1.3
55.05515	1.4
55.18945	1.1
56.04818	1.5
56.05043	25.3
63.29526	1.1
69.03419	1.6
71.04999	1.7
78.61475	1.2
81.03432	1.7
83.04983	1.8
91.05461	18.9
95.44936	1.2
97.02874	1.4
101.06012	2.7
123.04417	56.3
133.49716	1.4
137.48615	1.3
147.04398	7.5
161.05983	1.4
165.05464	58.5
173.06165	1.5
174.05481	13.8
175.07489	2.0
177.05461	67.1
189.05438	9.0
202.08563	11.3
212.07030	2.3
220.09680	80.7
229.09576	1.4
230.08075	5.4
232.09721	5.6
247.10764	100.0
259.10767	13.5
263.09100	1.5
311.09167	7.7
315.05057	1.7
316.16995	1.7
329.10196	1.6
354.13388	6.8
372.14532	11.0
381.14670	10.5
382.12701	6.6
399.15466	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75547	0.6
52.88889	0.6
53.03960	0.6
57.03444	5.3
61.02912	1.3
69.03423	6.8
71.04957	0.8
74.93250	0.8
81.03408	4.1
85.02907	24.3
97.02892	8.7
99.04443	2.8
101.93251	0.7
103.03960	0.9
103.05464	17.2
109.02861	1.7
109.04726	0.8
127.03933	5.6
131.04921	100.0
133.06450	0.9
145.04953	3.1
148.05190	10.0
158.97346	1.2
161.05975	4.4
163.07536	45.6
201.09151	1.4
208.02493	0.8
212.46828	0.8
237.11240	8.1
292.72046	0.6
312.66351	0.8
399.07401	1.4
399.16266	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	399.1781
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
50.99844	0.7
51.76890	0.7
68.42883	0.7
93.74739	0.7
122.49233	0.7
143.07047	0.7
159.65976	0.7
197.51476	0.7
230.24193	0.8
351.68942	0.9
399.17776	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	399.2015
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
51.34067	1.1
52.83772	1.3
56.30477	1.1
57.03420	2.1
61.02918	2.9
66.36692	1.2
67.05493	1.7
68.60858	1.4
69.03430	12.0
69.03734	1.4
69.07658	1.2
71.04967	2.1
73.02901	3.0
79.05502	1.5
80.46485	1.3
81.03408	6.2
81.07033	7.8
84.83794	1.6
85.02911	33.2
87.04454	5.5
91.03881	1.4
93.07028	6.1
95.04941	2.9
95.08579	2.5
96.25236	1.5
97.02892	15.8
99.04415	5.7
105.06999	2.6
107.08568	7.0
109.02866	3.3
109.06487	2.5
119.08566	7.1
121.06459	1.5
121.10124	3.3
123.08007	1.9
127.03896	7.3
131.04948	14.1
131.08525	7.8
133.10104	12.9
135.08018	8.5
135.11659	2.5
137.05954	8.3
139.07500	2.2
143.08455	1.6
144.09251	2.1
145.04964	2.1
145.10115	2.7
148.05038	1.7
149.09578	1.9
151.07544	5.5
159.08102	1.6
159.11673	32.6
161.09566	7.3
163.07541	19.2
163.64137	1.3
173.13214	6.1
177.12746	12.8
181.08505	13.1
189.12834	2.4
201.12503	1.9
219.13821	24.6
219.17271	2.1
237.14827	77.4
241.39839	1.4
284.65918	1.5
399.20081	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	399.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07956	3.4
79.05470	4.7
81.07066	6.9
91.05462	6.9
91.21557	3.4
93.07031	8.8
97.06509	8.6
105.07011	20.7
107.08600	18.3
109.06461	4.1
109.10168	6.2
111.27125	3.9
119.08578	20.5
121.10093	5.7
123.08145	5.2
128.06142	4.6
131.08571	8.7
133.06502	17.7
133.10092	7.2
135.07999	5.2
143.08589	41.2
145.10170	16.1
147.11676	4.7
155.08546	18.2
157.10120	14.5
159.07947	5.8
159.11673	5.7
161.09564	4.4
167.08472	4.6
169.10092	16.4
171.11652	32.3
179.08607	6.1
181.10136	37.6
183.11703	14.0
185.13243	7.1
193.10106	7.2
194.10899	7.7
195.11652	35.8
199.11090	5.1
206.10919	4.8
207.11699	15.9
209.09566	7.3
209.13313	17.7
219.11710	4.1
221.13315	9.0
223.11162	7.7
223.14726	6.6
235.14572	4.3
237.12772	7.8
237.16353	8.3
246.13823	5.1
251.17978	19.2
261.16364	7.6
279.17410	100.0
297.18402	21.4
339.19400	32.1
357.20621	8.3
399.21494	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84196	4.4
56.23720	4.2
58.49883	4.3
60.06738	4.0
62.36780	4.5
62.61119	3.9
67.05477	4.7
69.07069	9.5
73.55200	5.1
79.05467	7.3
81.07047	10.2
83.04976	5.7
91.05477	22.7
92.17879	13.2
93.07037	19.3
95.08636	10.5
97.06534	20.6
105.07027	30.6
107.08597	29.0
107.51658	4.9
109.06484	10.8
109.10152	11.8
119.07813	4.9
119.08549	36.7
121.10124	19.6
123.08052	8.0
128.06236	7.1
128.74100	4.6
129.07004	6.9
131.08542	12.0
133.06465	6.6
133.10130	11.2
135.08038	11.0
137.09642	6.6
141.07047	5.0
142.07764	5.8
143.08569	84.2
145.10146	10.2
153.36395	5.1
155.08545	9.8
157.10109	27.0
159.07919	7.6
159.11659	11.0
161.09698	6.7
166.07761	8.3
167.08557	6.8
169.10080	33.6
170.10983	4.5
171.11644	49.2
173.09547	6.9
179.08580	8.7
181.10118	31.4
183.11665	22.9
185.09618	6.9
185.13260	21.6
187.11159	23.4
193.10139	25.5
194.11076	6.4
195.11729	38.7
196.12372	5.8
197.13309	5.8
199.11217	8.5
201.12843	5.6
207.11644	20.8
208.12476	5.2
209.09618	9.2
209.13255	40.8
211.11162	7.7
213.12857	6.2
219.11681	9.7
221.13268	20.1
222.10448	6.0
223.11240	9.6
223.14850	9.1
231.11710	10.7
235.14757	6.1
236.15602	6.0
237.12666	26.0
237.16443	8.8
246.14044	19.9
249.12856	8.4
251.17975	31.7
261.16476	17.3
264.14981	5.4
268.03497	4.6
279.17450	100.0
297.18390	50.1
339.19470	36.6
349.98181	4.8
357.20642	31.9
388.26721	4.9
399.21561	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79287	3.4
55.05503	7.5
56.78189	4.8
57.03448	5.0
57.07065	4.7
59.14192	3.9
67.05516	4.7
69.07063	5.5
73.04919	4.3
77.32222	4.3
79.05492	4.5
81.07057	17.6
88.58157	4.4
91.05455	16.2
93.07044	28.1
95.08577	17.1
97.06514	15.0
105.07014	30.3
107.08580	29.3
108.54191	5.1
109.10150	21.8
110.07347	4.1
115.22287	4.5
117.07018	10.5
117.46792	4.4
118.82314	4.9
119.08565	39.3
121.06509	5.7
121.10132	22.5
122.87123	3.9
123.11702	4.4
126.97096	4.5
129.34447	4.1
131.08557	21.5
133.06516	6.6
133.10120	17.1
135.08109	4.7
135.11667	7.4
137.09607	5.3
143.08562	37.4
145.10114	61.2
147.11763	7.5
155.08534	18.1
157.10124	28.7
159.07964	5.4
159.11684	18.2
161.09506	5.9
167.08597	19.1
169.10118	27.6
171.11659	37.8
173.09590	4.8
173.13306	5.0
179.08594	16.3
180.09274	9.5
181.10118	41.8
183.11700	23.9
185.09592	5.6
185.13268	8.6
187.14777	5.6
193.10127	10.1
194.10869	19.3
195.11684	69.7
197.13300	6.7
199.11162	16.8
207.11638	22.8
208.12491	10.4
209.13255	46.1
211.11148	10.0
211.14835	5.4
219.11765	7.2
221.13290	9.8
222.10304	5.5
222.14043	9.0
223.11096	6.5
223.14764	31.4
223.16679	5.4
235.14746	9.1
236.15646	4.9
237.12755	22.5
237.16428	7.8
249.12671	6.2
251.17873	47.4
265.19504	100.0
279.17432	63.2
283.20605	28.4
297.18521	25.9
308.08020	5.6
325.21545	19.9
339.19482	10.1
357.20462	40.8
399.21072	37.5
399.26074	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	399.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26379	2.6
63.80364	2.3
69.07056	5.1
75.22636	2.3
81.07065	4.5
91.05444	4.7
92.17841	2.8
93.07041	5.5
95.08578	4.8
96.57906	2.3
97.06514	12.7
105.03387	13.6
105.07003	5.1
107.08607	5.6
109.06482	3.1
109.10159	4.7
117.07055	3.1
119.08543	13.6
123.08089	3.5
123.47936	2.5
127.62673	2.8
128.06210	2.8
129.07011	3.2
131.08568	11.5
133.10066	4.1
137.09662	4.5
139.19315	2.8
141.07072	2.5
143.08559	29.5
145.06450	3.6
145.10168	10.5
147.08049	3.6
155.08545	16.4
157.10106	15.0
159.07959	3.7
161.09669	4.1
165.06981	5.0
167.08557	11.5
169.10077	16.6
169.11485	2.7
171.11703	4.8
173.09605	5.9
179.08493	4.9
180.09187	3.1
181.10110	39.0
183.11676	12.9
185.09557	4.0
185.13196	2.7
187.11188	5.2
192.09357	3.0
193.10193	10.8
194.10959	3.2
195.08052	3.3
195.11734	27.8
197.09610	4.0
197.13234	3.1
199.11186	10.2
201.12781	3.5
206.10927	12.6
207.11740	13.2
209.09706	11.5
209.13275	25.9
211.11177	4.4
213.04929	3.1
219.11758	12.5
221.13257	16.6
222.10468	3.4
222.13960	4.6
223.11229	12.4
223.14772	5.2
225.12750	5.7
231.11703	5.0
232.12675	3.5
235.14758	4.4
236.11833	4.4
236.15347	3.3
237.12839	20.9
237.16440	13.4
239.14211	3.8
242.41945	2.7
246.13994	15.4
249.12711	6.3
251.14328	3.6
251.17982	16.9
255.13649	2.8
255.17665	3.0
261.16309	15.4
264.15051	5.7
267.17407	13.0
279.17438	100.0
297.18469	42.9
298.53760	2.6
339.19482	20.0
357.20554	47.6
399.21667	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71956	3.9
53.00929	3.8
64.82833	3.6
67.05511	5.5
69.07056	5.4
79.05486	7.0
81.07066	5.2
83.08627	3.9
85.06525	5.0
93.07034	18.3
95.08588	21.6
105.07027	14.9
107.08629	17.5
109.10175	4.8
119.08553	25.5
121.10130	7.4
123.11672	5.1
129.06985	5.5
131.08589	8.9
133.10126	9.2
135.08063	32.9
135.76384	4.0
137.09608	6.0
141.06931	4.8
143.08575	26.3
145.10141	6.6
147.08000	4.2
149.09602	16.1
154.08894	3.9
155.08531	6.0
157.10133	18.8
157.80595	4.9
158.04590	4.9
159.08022	10.2
161.09642	8.0
169.10031	4.9
171.11667	5.7
173.09618	5.4
175.11136	4.3
183.11723	6.1
183.60594	4.1
185.09583	7.5
187.11052	5.4
193.10129	6.2
195.11739	26.8
199.11229	6.0
207.11639	5.3
209.13251	17.5
219.11815	5.1
221.13248	6.4
237.12755	23.1
246.14102	7.5
251.17964	28.8
261.16309	6.1
264.15045	4.8
279.17419	100.0
297.18463	52.2
339.19589	40.7
357.20587	18.9
358.88693	4.6
399.21701	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95611	4.4
67.05508	5.5
73.20304	6.0
77.92726	4.6
79.05518	5.7
81.07048	11.2
91.05476	6.9
93.07025	11.4
95.08590	8.6
97.06516	8.2
105.07030	30.7
107.08582	22.3
109.10173	5.3
111.08047	5.9
115.05500	6.8
117.06940	7.2
119.08579	81.8
121.10160	24.3
123.08038	11.3
131.08556	28.9
133.06494	7.6
133.10127	22.4
135.08049	12.5
137.09644	7.5
143.08577	31.7
145.10123	23.3
147.08015	6.1
149.09610	10.1
155.08527	8.4
157.10103	13.0
159.08046	30.0
159.11778	6.2
161.09612	21.8
169.10117	12.6
171.11618	8.5
173.09618	8.9
177.09074	6.9
181.10045	23.0
183.11729	11.0
185.09578	6.8
187.11169	9.6
193.10100	7.5
194.10849	6.8
195.11681	33.7
197.13208	7.1
199.11319	6.6
206.11005	6.3
207.11691	8.9
209.09509	8.4
209.13280	26.5
219.11755	6.6
221.13280	7.0
223.11235	7.2
223.14828	29.5
235.14810	6.7
236.15642	7.2
237.12762	23.1
246.13972	26.1
251.17975	33.3
261.16501	10.8
264.15088	20.7
269.19037	9.7
279.17444	100.0
297.18423	84.6
339.19644	58.7
357.20551	30.9
399.21536	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67819	2.9
53.05404	3.2
54.11910	3.3
55.13889	2.7
61.23743	3.1
62.67325	3.1
63.10567	3.3
66.43053	3.1
69.07066	4.6
79.05472	3.5
81.07037	6.0
83.08634	3.9
90.58023	3.1
91.05481	13.7
92.18521	5.7
93.07035	17.2
95.04948	3.4
95.08595	13.5
97.06528	5.5
105.07020	18.3
107.08581	7.2
109.06525	7.6
109.46502	4.0
119.08559	24.5
121.06433	4.5
121.10141	15.1
123.08049	5.0
129.07059	6.2
131.08578	16.6
133.06493	8.1
133.10133	15.4
135.08025	5.2
143.08566	23.2
145.10121	20.5
155.08592	12.2
157.10130	20.2
159.07964	6.7
161.09598	3.8
163.11217	3.3
167.08630	4.4
169.10074	24.0
171.11668	19.5
173.09715	5.9
175.11192	6.1
179.08597	5.9
181.10107	13.8
183.11696	13.5
185.09703	4.3
187.11249	4.7
193.10208	8.3
194.10933	8.0
195.11711	20.8
199.11171	12.1
205.10152	4.0
205.12148	8.1
206.10931	4.4
207.11679	13.7
209.13246	25.0
213.12729	4.2
219.11772	3.9
221.13228	17.5
223.11256	5.6
223.14784	4.3
225.12607	4.0
231.11707	6.4
237.12666	5.1
237.16409	7.4
246.13963	14.5
251.18073	13.7
255.13799	3.9
261.16345	21.3
269.19009	18.2
270.95062	3.5
279.17484	68.5
281.18964	5.4
297.18466	43.7
339.19470	26.3
357.20477	28.5
399.25198	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	399.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37403	2.0
61.51014	1.8
69.07069	2.3
79.05483	4.8
81.07050	9.4
91.05473	9.5
93.07040	14.1
95.08595	2.8
95.47360	2.1
96.36868	2.5
105.07017	11.4
107.08585	4.9
119.08568	22.4
121.06496	3.3
131.08566	4.8
131.80081	2.4
133.10133	8.8
135.08034	2.7
142.07744	2.4
143.08586	17.2
145.10098	9.1
149.09618	9.3
155.08530	4.9
156.09323	3.2
157.10155	13.1
159.11659	5.2
161.09590	13.9
161.75650	2.3
167.08598	5.1
169.10124	19.0
170.10860	3.7
171.11659	13.1
173.09610	10.1
179.08586	3.0
180.09276	4.0
181.10104	14.2
183.11703	4.0
185.09601	4.3
187.11157	39.6
193.10115	9.6
195.11627	17.8
197.13208	4.7
199.11153	2.6
200.21593	2.5
201.12740	2.8
204.09464	2.6
206.10878	3.0
207.11723	4.5
208.12552	3.0
209.13219	15.0
211.11101	3.0
213.12782	4.2
217.10098	4.9
218.10817	3.8
219.11697	10.3
220.12494	2.7
221.13301	4.4
223.11139	15.8
223.14740	3.7
228.21344	2.5
231.11685	15.9
232.12479	4.6
235.14847	3.6
236.15527	4.8
237.12701	16.4
237.16359	10.6
238.13390	3.5
246.14088	20.9
249.12767	4.5
251.17961	15.7
261.16412	32.1
262.72269	2.5
264.14969	12.1
279.17398	100.0
297.18448	31.3
321.18454	12.5
339.19489	20.5
357.20532	47.9
358.21655	2.5
395.61060	2.5
399.21469	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	399.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93147	3.4
59.42854	3.9
61.92501	3.9
65.02689	4.0
67.20751	4.0
68.02574	3.8
69.07063	6.3
81.07073	19.3
82.80406	4.4
83.08591	4.4
91.05480	7.7
93.07019	17.9
95.08588	7.6
105.07019	35.3
107.08583	6.3
109.10146	6.4
111.08098	5.3
117.07009	7.0
119.08601	64.5
120.10461	4.9
122.24081	4.5
131.08594	18.6
133.10155	29.2
136.31361	5.1
143.08571	40.8
145.10152	23.1
155.08575	17.9
157.10144	19.5
159.08012	9.0
159.11676	5.6
161.09621	19.7
165.06963	5.0
169.10098	45.0
171.10397	4.9
171.11617	42.1
173.09613	16.7
179.08513	4.9
180.09322	5.6
181.10150	32.5
183.11736	6.1
187.11168	7.8
195.11711	26.9
196.12015	4.1
207.11771	4.3
209.13281	32.9
213.12827	6.9
221.13258	9.7
222.14055	8.0
223.11156	21.0
231.11702	5.0
237.12733	24.0
237.16357	25.9
249.12796	8.3
251.18001	9.3
255.17389	10.5
264.15143	6.5
279.17404	100.0
290.05817	5.2
290.46616	5.0
297.18481	44.9
339.19659	8.2
357.20081	5.1
399.21793	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	399.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27248	0.9
55.01879	1.3
55.05518	11.8
57.03424	6.4
57.07087	18.9
67.05503	15.4
69.07069	23.4
71.04973	1.3
71.08630	9.5
78.20217	0.9
79.05483	2.0
81.07068	17.6
83.08235	1.1
83.08626	19.4
85.06525	1.2
85.10171	7.4
86.86663	1.0
88.31701	1.1
91.05478	1.3
93.07040	10.0
95.08607	23.7
97.06522	8.2
97.10165	19.7
105.07006	1.3
107.08580	12.5
109.06535	1.2
109.10151	14.8
111.08063	4.9
111.11717	4.1
115.07547	1.4
119.08540	1.9
121.10145	12.7
123.11681	6.8
125.09602	1.7
129.08942	1.0
133.10112	1.4
135.11705	10.5
139.11111	1.6
141.02159	1.2
149.13264	8.0
153.12704	2.2
158.02254	1.1
163.14804	4.9
167.14241	1.4
194.86182	1.1
289.25174	1.5
343.28461	16.2
381.29956	5.2
399.31058	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	400.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
69.03430	12.2
71.04974	1.3
73.02913	1.6
74.49237	0.8
78.03459	10.2
81.03421	20.5
85.02908	13.0
94.61513	0.9
97.02892	15.0
99.04440	5.3
104.63692	0.8
106.02915	100.0
109.02888	20.5
115.03885	0.8
124.03945	98.8
127.03934	9.5
128.96158	0.7
133.30771	0.8
166.05003	1.3
196.06049	0.9
208.06108	1.2
210.46413	0.8
232.05904	1.2
250.07092	15.1
268.08163	26.3
400.12354	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03416	1.7
66.08849	0.2
67.42130	0.2
69.03412	1.1
71.01360	0.5
73.02897	1.4
75.15524	0.2
85.02888	1.6
93.19795	0.3
97.02895	1.1
108.72043	0.3
115.03916	1.2
133.04962	1.3
136.06183	100.0
156.82755	0.3
268.10394	6.9
384.87198	0.3
400.14618	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	400.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69752	0.4
57.03426	1.1
68.99778	0.6
81.03387	0.6
85.02912	3.2
87.87272	0.5
91.31866	0.5
92.08681	0.4
97.02888	0.9
101.02374	11.9
111.00852	0.6
111.10226	0.5
119.03419	3.0
121.35856	0.5
127.03935	0.7
129.01843	2.9
136.06226	0.5
139.00247	7.5
143.03395	100.0
145.04922	0.6
153.01852	2.5
157.01309	2.3
161.04396	3.1
169.84489	0.5
171.02866	8.2
175.06012	13.4
189.03915	0.9
203.05551	1.0
221.06561	20.4
238.09068	0.8
313.80930	0.5
327.63641	0.6
337.63358	0.5
365.10660	0.8
400.14880	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	401.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65374	0.4
57.03465	0.5
58.75561	0.4
66.57053	0.4
69.03430	3.3
73.02893	0.6
76.42683	0.4
78.03442	4.1
80.05020	0.8
81.03424	4.8
85.02898	5.4
96.04467	0.6
97.02898	2.9
99.04425	0.9
106.02917	49.5
107.04959	1.1
109.02889	4.2
124.03946	100.0
127.03905	2.3
166.05006	0.5
250.07156	3.1
268.08096	3.6
401.13388	73.9
401.21317	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	401.1571
Annotation	Asn Met His
Peak:m/z	Relative Intensity
55.14709	0.7
57.33495	0.6
59.20675	0.6
63.65653	0.7
68.69842	0.7
113.75785	0.7
120.23763	0.7
137.05978	0.8
177.05629	0.7
178.27878	0.8
204.07590	5.3
204.47563	0.7
401.15717	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	401.1571
Annotation	Asn Met His
Peak:m/z	Relative Intensity
57.00330	0.7
83.04977	1.3
85.02906	2.0
107.04958	21.1
116.46119	0.9
137.05981	1.2
139.03839	1.1
181.04921	3.6
204.07640	5.0
205.04880	1.2
221.15559	1.6
235.06126	1.5
239.20067	1.7
247.06123	1.4
277.06894	0.9
287.09399	0.9
353.10248	2.9
401.15753	100.0
401.20544	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	401.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16684	0.5
58.53038	0.5
63.80195	0.6
69.73524	0.6
71.64240	0.6
74.80303	0.5
76.70865	0.6
79.55966	0.6
85.02888	0.6
87.06824	0.6
114.15134	0.6
116.76433	0.6
120.36588	0.5
135.77759	0.6
136.96492	0.8
141.64648	0.6
171.05257	0.6
239.12610	3.9
257.12302	1.3
401.17795	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	401.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
67.05470	4.3
69.07067	18.2
75.87020	4.3
81.07050	10.2
83.08608	25.0
91.05474	10.2
93.07038	20.6
95.08589	17.7
97.06520	20.1
105.07055	24.0
107.08575	19.8
109.06501	5.5
109.10181	10.2
119.08561	53.2
121.10140	8.0
122.03704	4.6
125.09634	10.2
129.07001	6.0
131.08585	10.4
133.10147	20.4
135.08017	7.6
137.09604	8.0
141.06996	7.1
143.08562	21.8
145.10143	33.9
147.08061	7.5
155.08540	17.2
156.09227	5.4
157.10139	35.1
159.11633	10.4
161.09644	8.0
169.10123	37.4
171.11671	30.1
173.09593	6.6
173.13292	8.7
181.10136	8.6
183.11671	54.8
185.13222	16.4
186.04420	4.7
187.11230	5.5
193.10068	5.5
195.11769	6.6
197.09639	5.6
197.13252	21.3
206.10748	6.1
207.11688	7.5
209.13187	6.6
211.14873	8.1
221.13249	6.0
223.14755	9.2
225.12741	10.7
239.14316	19.4
239.17950	5.7
253.19516	17.9
281.18976	100.0
299.20020	54.4
337.18225	4.4
341.21005	10.6
359.18311	5.2
359.22192	22.5
401.23044	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	401.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.6
60.56282	3.6
65.63536	4.0
67.05515	8.3
69.07052	16.7
76.41098	4.0
77.90395	4.0
79.05495	5.7
81.07055	5.7
83.08607	20.1
91.05489	4.9
93.07040	17.7
95.08594	16.2
97.06517	21.1
97.87166	4.0
101.38218	4.1
105.06988	16.1
107.08586	17.4
109.06537	4.9
109.10184	8.0
111.08068	6.1
119.08576	49.9
123.08072	4.6
125.09628	6.9
129.06944	5.4
131.08562	17.2
133.10107	9.6
137.09557	6.5
137.50262	4.2
142.07732	4.4
143.08560	22.0
145.10103	36.5
147.75107	4.3
155.08572	20.9
157.10152	29.0
158.07390	4.0
159.11697	15.7
168.09332	8.9
169.10074	42.8
171.11662	21.0
173.09645	5.2
173.13316	14.8
175.11263	5.0
181.10092	7.1
183.11699	88.3
185.13251	14.6
187.11192	5.6
193.10130	4.5
195.11691	7.4
196.12489	5.4
197.09535	7.8
197.13217	20.2
201.12764	4.8
207.11742	9.3
209.13313	5.4
210.14027	5.0
211.11288	4.6
211.14803	18.1
221.13202	16.2
223.11067	4.9
223.14804	9.5
225.12743	21.4
234.13924	4.1
238.13586	8.5
239.14331	20.1
239.18005	8.7
253.19540	13.8
255.72258	4.6
262.00037	4.5
263.18039	9.0
266.16666	6.4
281.18976	100.0
287.04904	4.4
299.19980	41.0
341.21100	7.9
368.84848	4.4
401.23108	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2322
Annotation	Desfurano-6alpha-hydroxyazadiradione
Peak:m/z	Relative Intensity
63.60967	2.9
65.93170	3.1
69.07067	7.7
79.05484	4.1
81.07057	13.2
84.93179	3.4
91.05479	6.4
93.07043	7.5
95.04951	3.7
95.08603	16.2
97.06532	13.6
99.88084	3.3
105.07021	33.5
107.08578	17.3
109.06489	4.0
109.10143	20.0
117.07018	6.2
119.08569	39.3
121.10132	17.9
123.08046	6.8
123.11701	3.8
125.05984	5.6
131.08543	22.6
133.10139	43.4
135.11644	4.1
137.09631	6.4
141.06982	4.3
143.08568	17.1
145.10124	49.8
147.11650	16.9
149.09608	5.0
151.11154	13.5
155.08560	8.3
157.10103	21.0
159.08101	3.9
159.11684	8.0
161.09593	17.6
167.08528	18.4
169.10121	22.5
171.11674	8.4
173.09680	7.2
173.13251	58.6
175.11145	6.6
179.08617	5.0
181.10107	5.0
182.10938	3.4
183.11685	22.6
185.13188	4.3
187.11327	5.2
193.10106	14.5
195.11777	5.5
197.13203	20.7
199.76915	3.7
201.12793	5.4
207.11710	7.7
208.94200	3.7
209.13319	5.1
211.14809	7.7
221.13283	5.5
223.14810	5.9
237.16394	5.3
248.15668	3.3
253.19508	42.8
263.17850	20.9
271.20554	3.4
281.19003	82.9
299.20023	62.2
341.21112	29.3
348.45538	3.8
359.22079	100.0
401.23209	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07281	3.2
55.05526	3.2
57.07085	3.8
60.10457	2.9
69.07067	6.9
79.05476	4.5
81.07057	6.6
83.08604	13.1
93.07029	16.0
95.08622	12.2
105.07048	19.4
107.08576	14.7
109.10148	12.6
117.06912	3.5
119.08579	17.1
121.10138	15.9
123.08074	4.4
123.11714	5.4
126.04575	3.6
128.06235	3.6
129.06967	4.1
129.27072	3.3
131.08569	16.3
133.06454	3.9
133.10158	25.6
135.11671	4.2
137.09680	5.6
143.08557	23.5
145.06467	5.6
145.10126	22.8
147.08035	7.0
147.11655	4.9
149.09662	5.2
151.11229	19.8
155.08566	19.6
157.10095	24.3
159.08131	4.7
159.11638	5.8
167.08559	21.8
169.10117	32.3
171.11670	16.3
173.09642	4.6
173.13312	4.2
179.08482	7.4
181.10066	16.0
183.11742	31.7
185.09598	5.5
185.13283	5.2
187.11070	4.6
193.10126	7.4
195.11711	8.1
197.09552	5.3
197.13321	20.8
206.10739	4.2
207.11760	14.2
209.13229	6.6
210.14113	4.5
211.11166	6.7
211.14821	15.8
221.13353	5.8
223.14836	15.6
225.12714	4.7
237.16380	4.1
239.14330	6.7
253.19559	17.6
255.17392	4.9
257.19031	3.7
263.17859	23.9
281.18994	100.0
299.20041	77.9
323.20172	4.4
341.21097	7.8
401.23196	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	401.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94261	3.4
55.05500	12.5
55.49064	3.1
57.07068	3.5
62.76881	3.1
67.05496	3.9
69.07053	17.0
79.05494	4.5
81.07064	7.6
83.04963	3.3
83.08627	15.0
91.05466	4.6
93.07038	13.7
95.08607	14.9
97.06513	17.7
97.22225	3.0
105.07027	16.5
107.08588	19.2
109.06503	5.9
109.10117	13.2
114.98987	3.2
117.07024	4.7
119.08569	60.1
121.10078	4.0
123.08013	5.2
125.09626	6.4
129.06989	4.6
131.08537	7.6
133.10115	15.4
135.08003	6.9
141.07001	4.7
142.07770	4.5
143.08530	15.7
144.35904	3.2
145.10136	38.5
147.11703	5.9
149.09592	11.7
152.52068	3.5
155.08534	18.3
157.10120	25.1
159.11697	22.3
161.09619	5.6
168.09343	5.9
169.10121	37.0
171.11668	22.2
171.23062	4.4
173.09630	5.8
173.13210	4.0
175.11115	6.6
179.08566	4.7
181.10150	4.0
182.10892	4.3
183.11658	64.0
185.09497	3.9
185.13292	18.6
187.11075	5.3
193.10085	4.5
195.11694	5.0
197.09608	7.5
197.13196	24.2
199.11311	4.9
201.12694	6.0
201.49095	3.1
206.10913	6.3
207.11697	7.1
209.13341	3.5
210.10542	3.5
211.11270	7.2
211.14839	13.3
223.14798	6.9
225.12833	16.2
227.14342	4.5
234.14015	3.6
238.13481	6.1
239.14214	14.5
239.17947	6.0
253.19481	18.0
263.18054	6.9
265.45422	3.6
281.18988	100.0
299.20087	44.7
339.34470	4.6
341.21164	7.7
401.23193	29.2
401.38406	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	402.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
54.44617	0.7
69.03429	10.2
71.04967	0.9
71.88596	0.7
73.02910	0.9
74.43523	0.7
78.03436	4.3
81.02984	1.1
81.03421	20.4
85.02887	8.7
85.70005	0.7
88.52561	0.8
97.02863	3.4
99.04446	8.5
105.13160	0.7
106.02914	62.0
109.02882	17.0
117.05454	3.7
124.03953	100.0
127.03922	7.6
162.10564	0.8
185.13298	0.8
196.06038	1.0
250.07085	18.5
268.05280	1.7
268.08157	48.4
271.27460	0.9
324.42084	0.8
361.14551	1.1
402.13882	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64657	0.7
51.02401	0.7
53.03959	1.9
57.03435	1.1
69.03432	9.1
73.02909	1.0
78.03444	5.8
81.03423	27.3
85.02906	8.9
97.02890	5.6
99.04455	6.5
106.02920	75.2
109.02872	18.7
117.05479	5.6
119.11049	1.0
124.03951	100.0
127.03895	8.5
197.89218	0.9
232.06039	1.4
250.07126	27.0
268.08136	42.8
286.09286	6.0
384.12759	6.8
402.08682	1.5
402.13934	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.8
67.31542	2.5
79.05479	5.5
81.07024	4.9
91.05502	24.7
93.07037	4.9
95.08606	6.8
105.07043	55.8
107.04953	96.0
117.07031	6.8
119.08571	3.1
120.08106	57.6
121.39040	2.9
129.07025	20.3
131.08589	23.8
141.06996	13.0
143.08549	12.9
145.10092	3.8
149.05962	18.2
153.06963	5.9
155.08546	38.0
164.22623	2.8
165.06995	3.5
166.07788	4.8
167.08574	17.1
175.42169	2.8
178.08644	11.9
179.08487	6.5
180.10272	52.4
181.10083	43.2
193.10143	12.2
194.10905	3.7
195.11646	32.1
208.12404	10.7
223.14799	70.8
223.16795	3.6
269.92972	3.8
402.19400	4.5
402.24341	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	402.243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.8
67.31542	2.5
79.05479	5.5
81.07024	4.9
91.05502	24.7
93.07037	4.9
95.08606	6.8
105.07043	55.8
107.04953	96.0
117.07031	6.8
119.08571	3.1
120.08106	57.6
121.39040	2.9
129.07025	20.3
131.08589	23.8
141.06996	13.0
143.08549	12.9
145.10092	3.8
149.05962	18.2
153.06963	5.9
155.08546	38.0
164.22623	2.8
165.06995	3.5
166.07788	4.8
167.08574	17.1
175.42169	2.8
178.08644	11.9
179.08487	6.5
180.10272	52.4
181.10083	43.2
193.10143	12.2
194.10905	3.7
195.11646	32.1
208.12404	10.7
223.14799	70.8
223.16795	3.6
269.92972	3.8
402.19400	4.5
402.24341	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	403.1025
Annotation	Apigenin 7-xyloside
Peak:m/z	Relative Intensity
59.37428	0.2
60.15619	0.2
70.01546	0.2
77.50701	0.2
91.05441	0.4
121.10126	0.2
146.18752	0.2
149.38205	0.2
153.01816	0.4
159.72269	0.2
176.22264	0.2
271.05991	100.0
351.86075	0.2
403.10226	2.9
403.17502	0.8
403.22647	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	403.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51120	1.1
71.29889	1.1
85.02906	2.1
93.58927	1.3
95.04921	1.4
97.02872	1.7
112.95255	1.3
113.02341	12.3
119.04955	2.7
123.04426	53.5
127.03821	1.4
127.88889	1.5
135.04391	2.7
137.50883	1.1
139.03900	84.1
147.04437	23.2
151.03903	100.0
154.60320	1.2
163.03883	21.9
165.05487	10.3
165.08827	1.2
173.26381	1.5
175.03847	5.4
177.05518	5.7
181.04971	6.6
189.05458	1.9
191.03432	10.9
193.05017	2.2
205.04926	10.2
209.04445	5.8
217.04980	1.6
223.05966	5.0
233.04443	12.6
241.10416	1.4
241.14253	1.9
251.05470	73.1
263.05469	30.9
285.07565	9.9
333.08005	1.9
403.10089	10.7
403.15558	57.5
403.29626	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	403.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46050	1.1
53.43077	0.9
55.41270	1.0
55.74791	1.0
56.96571	1.3
65.44393	1.0
75.87968	1.0
82.94228	1.0
98.97578	79.6
112.99110	1.2
116.98617	18.0
120.96638	1.0
124.99092	7.0
126.07202	1.2
131.00148	14.2
143.00148	9.6
149.01216	9.8
155.00156	7.5
158.99648	37.2
161.01218	31.3
173.01190	5.5
177.00662	6.4
179.02255	37.3
185.01183	1.4
191.02251	17.2
197.03247	7.8
197.91048	1.1
209.03329	12.9
221.03302	42.2
226.81795	1.1
239.04361	72.9
241.02281	1.3
251.04362	11.2
257.05545	4.6
273.60150	1.1
281.05399	33.5
281.08450	1.3
343.09134	17.3
377.22678	1.2
403.11215	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	403.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
67.33993	0.4
78.03776	3.1
82.77010	0.5
86.06078	0.8
102.03787	5.4
103.26962	0.4
107.04945	2.1
108.25699	0.5
109.06405	0.4
115.08676	1.0
123.49970	0.5
130.48318	0.4
131.06436	3.3
132.04762	2.8
137.05992	0.6
138.48495	0.4
149.07434	16.0
157.06465	2.1
178.04994	3.7
181.06505	2.3
185.05965	2.5
187.07520	0.8
199.07507	3.9
209.06181	1.7
213.05466	4.7
215.84518	0.5
227.07037	11.5
237.05510	1.8
237.63362	0.4
255.06506	100.0
284.09174	2.6
288.52109	0.5
326.10199	11.8
363.51837	0.5
403.13113	4.5
403.22409	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	403.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31832	0.5
62.66483	0.5
69.32438	0.5
81.97738	0.5
93.89529	0.6
171.64851	0.5
262.86237	0.6
357.15091	4.6
403.15726	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	403.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
74.70129	0.6
91.62238	0.6
92.18390	0.8
92.52892	0.6
102.37363	0.6
113.86970	0.7
149.07416	0.7
255.06520	4.8
263.95831	0.7
288.98517	0.7
292.91083	0.7
357.21579	0.7
403.15729	100.0
410.19702	0.8
423.57532	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	403.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60968	2.7
53.62356	2.9
55.05538	2.4
69.03421	5.6
70.06561	2.6
71.04963	2.3
78.31525	2.9
79.05511	3.5
81.03387	4.5
81.20515	2.9
83.04987	2.9
83.67194	2.3
85.02901	12.6
101.06020	3.8
105.03391	100.0
123.04397	19.7
127.03937	4.1
137.08105	10.5
141.72566	2.4
143.68260	3.1
249.07600	4.2
267.08676	38.9
307.48499	3.3
403.11798	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	403.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
56.49277	0.9
69.03410	5.9
70.50487	1.0
74.03046	0.9
79.05492	6.4
81.03413	5.4
85.02897	14.8
95.04915	1.3
97.02858	1.9
99.04435	1.3
101.06011	4.5
105.03393	100.0
109.02882	4.8
118.17894	1.3
123.04430	22.4
127.03876	6.1
127.04750	1.1
142.48006	1.2
183.21213	1.1
249.07582	8.5
267.08633	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	403.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32167	0.3
61.03528	0.4
63.38218	0.4
68.12006	0.3
69.03432	0.7
70.06561	0.9
70.98717	0.4
71.04987	0.5
71.46141	0.4
73.02887	0.5
81.03399	0.6
85.02897	1.7
86.60127	0.4
87.04462	0.8
88.52148	0.4
94.94194	0.4
97.02836	0.5
98.97585	1.5
122.05988	0.8
124.07596	0.4
127.03916	1.5
136.07536	0.6
146.06001	100.0
154.08589	0.5
158.99654	0.6
163.08646	24.3
164.07042	32.2
177.13188	0.4
177.18489	0.4
181.09703	6.0
182.08121	1.7
188.07068	1.6
197.04884	0.5
205.09711	4.4
215.07584	0.6
219.01797	0.8
223.10800	6.1
241.03343	0.4
241.11804	7.1
265.41699	0.4
299.47437	0.4
326.12314	31.3
343.15045	3.8
356.34317	0.4
385.07996	1.9
385.16019	12.8
403.17224	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	403.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
57.03449	1.8
61.02917	1.6
67.05497	5.8
68.62766	1.4
69.03416	10.2
69.07062	1.3
71.05016	1.3
73.02921	1.5
79.05489	6.2
81.03419	2.3
81.07070	23.8
85.02907	19.3
91.05460	10.2
93.07048	36.3
95.04996	2.3
95.08610	28.8
97.02907	3.4
105.07032	3.3
109.02885	3.0
109.06557	1.7
109.78241	1.3
111.08114	1.6
117.07032	2.1
119.08570	7.3
127.03935	2.8
129.06993	9.1
131.08562	18.7
133.10101	2.1
139.03871	1.6
141.07004	3.2
143.07521	2.5
143.08572	46.3
145.10120	8.5
149.07410	5.8
153.06992	2.5
155.08557	12.7
157.10101	15.1
159.08051	2.3
163.03810	1.8
165.06999	6.7
166.07750	14.4
167.08556	16.3
168.09319	7.2
169.10097	18.3
171.11621	3.1
179.08553	15.9
180.09337	9.3
181.10123	58.4
182.10915	6.9
183.11719	10.4
193.10118	15.8
194.10936	15.2
195.11697	30.7
197.13268	7.3
199.14850	1.7
207.11728	2.0
208.12457	21.3
209.13168	2.0
211.14677	1.8
213.16356	2.7
213.55658	1.5
221.13234	3.0
223.14813	100.0
225.16382	28.3
227.06973	1.8
239.14362	5.6
241.15848	19.8
255.06487	17.7
326.10275	1.5
350.29071	1.7
385.20004	7.7
403.21390	32.1
411.30179	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	403.2477
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
59.31347	3.4
61.83723	3.3
67.05492	8.7
69.03415	6.2
79.05479	5.6
81.03416	49.6
81.07042	8.9
91.05487	7.9
92.90294	4.2
93.07039	46.3
95.04947	23.8
95.08587	25.6
105.07018	17.2
107.08591	40.5
109.10146	9.3
119.08595	15.3
121.10117	15.4
130.07841	3.8
130.46252	3.7
130.66977	4.1
131.08522	4.3
133.10144	32.1
135.08044	91.4
143.08517	4.6
145.10117	16.2
147.11658	5.4
157.10097	6.8
159.11693	4.5
161.09587	100.0
171.11549	3.9
173.09656	3.5
220.05003	3.7
255.20946	3.8
265.19415	4.6
283.20505	67.6
343.22629	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	403.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57821	2.4
59.37280	2.1
67.05499	5.5
69.03407	10.6
79.05487	3.6
81.03418	31.4
81.07050	14.5
91.05464	8.8
93.07043	46.6
95.04957	19.9
95.08601	11.7
105.07015	16.2
107.08582	40.6
108.90773	2.4
109.06494	3.1
109.10143	12.9
112.31701	2.8
117.06966	2.8
119.04919	5.5
119.08570	18.0
121.10118	15.6
123.11626	3.5
131.08574	10.7
133.06445	3.7
133.10124	31.1
135.08043	100.0
137.09663	4.4
143.08546	5.6
145.06551	5.7
145.10100	14.5
147.11678	10.3
149.13251	3.0
149.72714	2.5
157.10118	3.8
159.11678	9.9
161.09602	94.6
163.11189	15.4
169.10138	3.1
171.11734	5.1
173.13266	11.3
185.13286	3.2
189.12762	2.5
199.14915	2.8
201.12794	2.6
223.14920	3.3
227.14320	5.4
236.00235	2.5
241.15930	3.2
247.96817	2.6
265.19458	4.3
283.20566	57.3
301.21603	3.5
343.22690	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73466	3.9
67.05502	6.7
71.56981	3.8
79.05481	5.6
81.07048	9.2
83.08620	4.9
91.05456	6.5
92.18477	14.8
93.07053	36.1
95.08609	54.0
105.07010	26.7
107.08575	27.3
109.10146	32.1
111.08094	4.8
117.07001	6.4
119.08582	24.8
121.10151	26.3
123.08052	4.2
123.11665	5.1
125.09570	4.3
131.08569	25.7
133.10144	45.0
135.11644	6.6
137.09552	4.3
142.07893	4.6
143.08565	20.6
145.10104	30.0
147.11687	8.2
155.08562	8.2
157.10109	28.3
159.11670	33.6
161.09631	7.1
168.52008	3.9
169.10094	16.6
171.11688	30.3
173.09540	5.0
173.13258	18.1
181.10120	25.3
183.11705	30.4
185.13271	26.0
194.10977	6.1
195.11662	17.8
197.13255	9.4
197.63968	4.8
209.13283	38.9
211.14783	8.7
213.12805	6.1
223.14856	34.0
227.49477	4.4
235.14885	6.7
236.13353	4.1
239.18121	4.5
241.15717	5.4
250.17369	4.1
255.21024	7.5
265.19461	65.9
267.28662	4.7
283.20596	100.0
301.21701	17.7
343.22958	6.7
362.23721	8.3
397.16992	4.4
403.24655	32.5
418.99060	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	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01732	1.2
53.17544	1.3
56.62783	1.3
59.99995	1.2
74.48685	1.6
79.86362	1.2
81.03391	1.9
81.07053	9.8
86.27200	1.6
91.05447	2.5
93.07040	3.4
95.08597	7.2
105.07012	6.9
107.08598	19.0
109.10146	6.2
117.06966	1.9
119.04903	5.5
119.08562	7.7
121.10098	2.8
123.11704	5.4
133.06523	3.3
133.10156	10.9
135.08047	100.0
145.06499	3.0
145.10141	2.0
159.11613	1.9
161.09608	6.2
163.11171	3.0
179.10681	6.0
187.36220	1.4
225.16216	1.6
265.19391	1.6
283.20514	13.1
403.28470	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
73.89969	0.8
79.05483	4.4
81.03403	1.8
81.07060	7.7
91.05468	4.1
93.07033	4.2
95.08591	6.1
105.07031	8.2
107.08594	14.6
108.20168	0.9
109.06531	1.0
109.10162	4.6
111.48431	0.9
117.07010	1.9
119.04965	4.6
119.08563	4.7
121.10141	1.0
123.11701	5.4
130.20914	0.9
131.08578	0.9
133.06500	4.0
133.10118	5.1
135.08051	100.0
135.11694	1.4
143.08514	1.3
145.06471	3.6
145.10109	3.7
147.11688	1.9
161.09595	6.8
163.11150	2.2
171.11591	1.1
179.10690	4.3
197.13388	1.2
199.14798	1.3
223.14818	1.6
265.19589	1.4
283.20551	12.1
403.28391	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	404.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46668	1.6
54.03056	1.6
55.67397	1.7
60.45685	1.5
61.71708	1.5
69.03430	2.8
78.03439	9.5
81.03420	7.0
82.39642	2.0
85.02901	7.5
96.04458	2.2
97.02878	3.2
99.46288	1.7
105.35585	1.7
106.02190	2.4
106.02911	71.9
107.04958	12.4
109.02876	7.3
114.05505	2.2
123.04408	3.3
124.03948	100.0
127.03858	2.3
133.06552	2.1
137.06001	1.9
189.05385	2.3
206.08209	4.0
216.16190	1.9
250.07079	11.2
252.08661	19.6
268.08160	10.6
277.63364	2.0
329.74414	1.8
404.13104	67.2
426.37860	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96013	0.4
53.03934	0.6
55.05512	2.5
67.48697	0.5
69.03427	8.6
71.04974	1.3
77.52453	0.6
78.03455	4.0
81.03416	14.0
83.04984	1.1
85.02897	6.8
97.02918	4.4
99.04427	3.4
101.06013	4.2
102.47731	0.5
106.02915	50.8
106.09436	0.6
109.02874	10.9
124.03944	100.0
127.03931	6.6
137.08109	1.1
166.04994	1.0
227.09583	0.6
232.05974	0.9
250.07095	7.9
268.08142	60.4
324.25092	0.6
404.15479	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.01328	0.5
56.18563	0.5
57.03444	0.6
69.03438	6.5
71.04976	0.9
78.03445	5.1
81.03416	16.5
81.15646	0.7
83.04961	1.3
85.02899	8.2
94.47901	0.6
96.04439	0.9
97.02901	4.6
99.04468	2.1
101.06040	4.6
103.74513	0.7
106.02916	56.5
109.02881	14.1
111.56835	0.6
112.69852	0.6
117.13945	0.7
124.03944	100.0
127.03916	7.0
196.05969	0.7
201.03900	0.6
232.06107	1.5
250.07059	10.7
259.01541	0.7
268.08124	52.1
277.94025	0.7
286.09271	1.4
289.76251	0.7
315.45795	0.7
371.13379	0.7
404.15488	31.6
406.11575	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	1.2
58.21818	0.9
59.04992	1.3
59.20353	1.0
67.05505	1.9
69.03416	1.6
81.03435	1.2
81.07046	1.2
83.05007	1.1
84.94141	1.0
85.02889	7.5
85.06529	5.6
85.47327	1.1
91.05461	7.0
93.07002	1.4
95.08601	24.9
97.02861	1.8
105.07023	5.8
107.08619	8.0
109.06460	1.6
113.05957	4.7
116.50040	1.0
119.08579	12.2
121.10140	9.9
123.08050	15.0
123.11688	5.9
124.03953	28.1
125.09634	2.1
131.08563	5.8
134.24045	1.3
134.51721	1.2
135.08049	12.8
135.11665	10.1
135.38213	1.0
137.09587	1.8
143.08531	6.3
145.10126	6.3
147.08012	12.2
147.11678	15.6
149.09596	15.1
151.07521	1.2
156.09305	6.4
159.11630	2.0
161.13245	7.5
163.11235	1.8
165.09085	1.9
165.12743	5.7
171.11682	20.9
174.10262	1.4
179.14397	1.3
189.12724	22.0
207.13792	100.0
225.14769	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	1.2
58.21818	0.9
59.04992	1.3
59.20353	1.0
67.05505	1.9
69.03416	1.6
81.03435	1.2
81.07046	1.2
83.05007	1.1
84.94141	1.0
85.02889	7.5
85.06529	5.6
85.47327	1.1
91.05461	7.0
93.07002	1.4
95.08601	24.9
97.02861	1.8
105.07023	5.8
107.08619	8.0
109.06460	1.6
113.05957	4.7
116.50040	1.0
119.08579	12.2
121.10140	9.9
123.08050	15.0
123.11688	5.9
124.03953	28.1
125.09634	2.1
131.08563	5.8
134.24045	1.3
134.51721	1.2
135.08049	12.8
135.11665	10.1
135.38213	1.0
137.09587	1.8
143.08531	6.3
145.10126	6.3
147.08012	12.2
147.11678	15.6
149.09596	15.1
151.07521	1.2
156.09305	6.4
159.11630	2.0
161.13245	7.5
163.11235	1.8
165.09085	1.9
165.12743	5.7
171.11682	20.9
174.10262	1.4
179.14397	1.3
189.12724	22.0
207.13792	100.0
225.14769	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69129	0.5
59.41076	0.5
60.34248	0.6
64.28974	0.5
71.76332	0.6
83.04968	0.9
85.02894	4.4
97.02907	0.6
97.06546	0.7
109.02885	1.0
109.06538	1.1
119.08564	0.7
121.10118	5.7
123.08060	100.0
124.03970	0.7
137.05946	0.9
145.10071	0.6
147.11665	0.6
149.09583	1.4
151.11189	3.9
163.11183	1.4
167.10652	2.4
181.12244	8.9
189.12692	1.2
207.13670	4.2
225.14819	23.9
268.08105	0.6
386.13101	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80103	1.4
55.05521	1.7
80.34910	1.4
81.07042	1.9
81.77930	1.4
83.04967	3.1
85.02907	16.4
87.08073	2.0
95.08567	1.8
96.95404	1.6
97.06535	1.9
101.81181	1.6
105.07013	2.6
107.08573	9.6
109.06537	11.3
110.32861	1.7
119.08575	1.8
121.10137	12.1
121.18029	1.4
121.67838	1.5
123.08041	6.7
123.11707	12.2
133.10086	2.0
135.11702	3.7
137.09610	18.8
145.10201	1.9
147.08086	1.9
147.11655	12.6
149.09599	7.5
151.07581	1.6
161.09526	1.8
161.13272	11.7
165.09123	2.8
165.12729	100.0
171.11650	2.8
174.10452	2.9
179.14325	3.2
181.12196	3.6
189.12718	14.0
193.40558	1.7
207.13792	63.4
225.14807	3.6
308.75391	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	405.0967
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
62.72473	0.5
83.94214	0.4
113.47204	0.5
121.02859	40.1
121.10136	0.5
135.36006	0.5
145.02818	0.5
149.05972	4.2
163.03770	0.5
173.05997	2.1
192.19426	0.4
210.32651	0.4
228.04193	0.7
255.02875	1.5
259.05984	0.8
270.05368	0.6
287.05502	0.9
323.47968	0.5
363.08865	0.6
365.74716	0.4
373.07019	12.1
377.10181	1.6
405.09674	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	405.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82261	0.8
57.77748	0.8
85.02866	1.3
89.88196	0.8
106.02919	5.5
107.03248	1.9
119.08704	0.9
124.03912	8.6
125.04275	2.2
127.03927	1.0
183.02669	1.2
197.04298	1.3
243.04744	100.0
268.08002	1.2
269.08459	6.7
371.75754	1.1
405.10095	52.3
405.16653	6.7
429.21494	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	405.1732
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
66.94869	0.7
68.16602	0.7
92.18511	1.1
101.95593	0.8
126.94296	0.8
133.69234	0.8
188.88379	0.8
301.18680	0.8
340.90530	0.8
405.17267	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	405.1906
Annotation	16-O-Acetylcoleon C
Peak:m/z	Relative Intensity
67.05511	17.7
69.07071	6.0
81.07048	4.6
83.04993	5.0
84.85062	5.9
85.02892	20.4
91.05472	12.4
92.18480	5.5
93.07028	25.6
95.04930	19.0
95.08601	29.8
99.04446	6.1
105.07015	25.1
109.06525	46.7
109.10207	6.5
111.08054	10.3
113.09641	7.1
119.04904	10.1
119.08575	22.3
121.06467	26.8
121.10106	9.9
123.04428	21.8
123.08051	41.3
125.05998	7.6
125.09581	6.0
131.08546	24.5
133.06482	22.6
133.10112	11.0
135.08038	8.8
137.05975	9.6
137.09631	27.0
141.09035	6.2
141.94095	5.0
143.08604	5.6
145.10110	6.7
147.04382	6.6
147.08041	7.1
149.05936	8.0
149.09613	7.2
151.07559	21.5
151.11172	8.0
153.09175	5.8
159.08073	8.2
161.09598	11.4
163.07584	8.2
169.10175	8.0
172.88277	5.3
175.07547	9.9
177.09068	5.8
179.10674	31.7
183.11691	6.2
185.09692	8.4
187.07524	6.3
187.62697	5.6
193.09991	6.6
195.11765	8.8
196.08632	5.7
197.09708	7.8
207.10179	34.2
211.11189	20.6
223.11269	6.2
281.15436	9.1
283.13364	6.6
285.14743	8.6
299.16412	11.9
309.14719	7.1
317.17493	8.8
327.15894	48.5
345.16882	68.6
363.18185	6.6
405.19034	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	405.1906
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
58.93460	2.1
69.03429	4.3
73.39565	2.1
73.62450	2.0
78.11147	1.9
79.05462	2.7
81.07052	4.2
86.02570	1.9
91.05449	9.6
92.18459	5.6
93.07026	18.5
95.04940	8.0
95.08585	2.9
98.95213	1.9
105.03400	4.0
105.07035	25.7
107.08573	15.5
109.06525	4.3
109.10101	4.4
119.08566	12.3
121.06509	32.5
121.10137	19.8
123.08051	5.4
131.08560	8.8
133.06476	15.0
133.10101	22.2
135.08044	10.2
137.05942	2.8
139.07536	4.7
145.06526	2.7
145.10144	4.1
149.05977	22.5
149.09615	19.0
151.07455	4.0
157.10118	3.5
159.08075	10.0
161.09601	20.5
163.07637	2.7
167.07053	4.5
169.10068	4.2
171.11685	3.3
173.09625	5.0
175.11200	2.5
177.09050	2.9
183.11719	3.3
187.07622	3.3
190.57695	2.2
211.11140	3.3
213.12640	2.6
222.10448	2.5
223.11220	3.3
230.27608	2.6
235.14871	3.0
239.14336	4.0
248.12021	2.4
253.15903	3.0
263.14297	7.5
281.15338	7.7
309.14783	4.7
327.15771	11.4
345.16895	11.5
387.18079	24.7
389.52228	2.3
405.19064	100.0
419.59003	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	405.1908
Annotation	16-O-Acetylcoleon C
Peak:m/z	Relative Intensity
54.42484	1.4
64.33424	1.6
67.05492	2.6
69.03424	1.9
79.05506	3.2
81.03418	10.0
81.07062	2.6
83.04986	8.9
83.08608	2.2
83.61832	1.8
84.01513	1.8
89.23508	1.7
91.05461	4.3
93.07054	14.1
95.04988	7.0
95.08614	4.1
104.61405	2.0
105.03400	7.9
105.07035	15.9
107.04937	3.8
107.08600	8.1
109.06499	9.9
109.10112	2.1
111.08085	3.7
117.07047	2.0
119.08589	12.8
121.06498	13.6
121.10133	12.8
123.08060	7.8
123.11667	2.4
131.08609	7.1
133.06479	9.1
133.10139	10.5
135.04437	2.4
135.08061	3.9
137.05870	2.4
137.09589	9.0
143.08571	4.4
145.06461	3.7
145.10121	2.4
147.04465	2.1
147.08054	12.2
149.06009	7.7
149.09595	19.3
151.07527	3.5
155.08623	3.0
157.10121	8.6
159.08054	3.4
161.09641	9.9
163.07549	3.1
165.09103	3.8
169.10153	13.7
171.08076	8.4
171.11729	4.6
173.09633	10.7
175.07533	4.4
175.11230	2.5
177.09111	10.6
183.08049	2.6
183.11638	3.2
185.09653	12.7
185.13271	2.3
187.07524	3.3
187.11148	29.9
189.09137	7.0
189.12767	2.8
195.11606	3.6
197.09659	11.5
197.13283	6.5
199.07605	3.0
199.11224	6.8
201.09045	6.2
201.12733	2.9
203.10690	7.6
205.12193	2.3
207.11829	2.1
209.09650	2.1
209.13188	2.7
211.07738	2.3
211.11198	9.6
211.14693	2.4
213.09099	3.2
213.12799	12.4
215.10634	27.6
217.08531	2.7
217.12248	2.6
220.12465	2.9
223.11261	8.6
224.11946	3.7
225.09128	9.9
225.12785	2.7
225.16400	4.4
227.14204	5.9
231.13806	16.8
233.11728	4.5
235.14873	3.3
237.12755	8.4
239.10638	3.3
239.14291	11.1
241.12427	6.5
243.10229	10.1
243.13844	14.3
245.11597	3.0
253.15834	13.2
255.13748	9.8
257.11768	3.3
257.15402	10.7
259.13257	2.8
263.14380	8.8
267.13766	3.9
269.15302	2.7
271.09998	2.1
271.13229	3.8
271.17007	7.2
281.15369	20.0
283.13449	2.2
285.14835	3.0
299.16364	35.0
301.14212	2.7
309.14850	25.6
315.15842	2.3
317.17639	7.4
327.15900	43.6
345.16934	53.3
377.10446	3.4
387.18112	10.1
405.09668	8.3
405.19113	100.0
405.23883	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	405.1907
Annotation	Laxiflorin M
Peak:m/z	Relative Intensity
50.21632	6.4
57.08738	6.1
69.03425	9.6
81.03413	10.8
83.04982	9.3
91.05465	12.5
92.40330	6.7
93.07041	34.5
95.08594	9.5
97.37673	5.9
105.07020	16.1
107.04920	9.8
109.06497	11.0
111.08114	9.9
113.62910	7.2
119.04914	8.7
119.08556	13.9
121.06527	10.3
121.10141	43.0
123.04398	8.9
133.10146	15.9
135.08104	7.7
144.09299	7.9
149.09642	42.9
151.07524	8.2
155.08467	7.4
157.10184	7.6
159.08046	27.7
161.09633	16.9
163.07352	9.0
169.10056	13.2
173.09633	13.4
175.07523	7.5
177.09114	14.0
181.10156	10.4
183.11726	11.1
185.09622	11.0
187.11165	52.4
189.09013	10.1
193.10089	8.2
195.11688	8.0
197.09602	26.8
199.07581	9.7
199.11172	9.6
210.92020	6.7
213.12727	10.8
215.10721	49.2
217.12167	7.5
221.13199	8.3
223.78166	8.2
225.09117	15.6
229.12297	8.6
231.13817	36.5
235.14784	9.1
239.14287	13.3
241.12173	15.1
243.13808	34.2
253.15883	11.0
255.13525	9.3
257.11905	10.7
257.15280	14.7
263.14178	9.1
281.15430	29.2
299.16385	56.1
309.14798	15.8
317.17612	8.4
327.15994	92.5
345.16986	75.4
387.17889	9.9
405.19159	100.0
405.23929	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	405.1909
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
75.12434	2.5
81.07054	2.5
85.06469	2.5
91.05457	3.5
93.07040	11.9
95.04982	13.9
95.08605	4.2
105.07027	17.4
107.04965	4.1
107.08602	21.9
109.06482	4.3
119.08583	16.9
119.26010	2.7
121.06499	28.3
121.10127	37.4
123.08049	12.1
125.61942	2.8
131.08582	5.6
133.06471	13.1
133.10143	10.8
135.08058	16.9
139.07491	4.6
143.08549	3.5
147.08052	16.1
149.05927	19.5
149.09595	20.7
151.11140	3.4
157.10147	4.3
159.08070	6.6
161.09583	4.4
163.11200	14.8
167.07089	5.8
169.10144	3.8
173.09575	4.8
175.07576	4.1
177.09090	26.3
179.08556	2.9
187.11256	17.7
191.10786	3.3
195.11682	4.4
197.13431	4.3
201.12781	2.6
204.11552	2.7
211.14894	3.2
213.12712	4.4
221.13055	2.7
222.31485	3.1
223.11287	3.8
239.14371	5.5
241.12485	2.5
267.13715	4.6
271.16812	3.9
281.15378	4.5
285.14948	13.9
303.15829	4.9
327.15848	13.6
345.16965	17.7
387.18268	3.1
405.19070	100.0
405.24231	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	405.1908
Annotation	Laxiflorin M
Peak:m/z	Relative Intensity
51.36251	2.4
55.05525	2.6
67.05499	4.0
69.03436	3.2
69.89863	2.3
79.05476	4.0
81.06511	1.9
81.07038	12.1
91.05473	5.2
93.07020	14.4
95.04951	3.3
95.08588	10.0
96.11453	1.9
105.07027	14.4
107.08583	12.0
109.06475	3.5
109.10146	3.8
111.08027	1.8
119.08548	8.0
121.06488	23.2
121.10159	16.2
123.08039	8.8
123.11777	2.5
131.08583	4.3
133.06459	13.2
133.10153	16.1
135.08040	4.2
137.05922	3.1
139.07509	3.7
143.08571	3.9
145.10094	3.3
147.08049	3.6
149.05966	20.1
149.09607	12.6
151.07556	2.3
156.08165	2.3
159.08072	10.2
161.05989	3.7
161.09579	11.8
163.07573	3.8
167.07045	4.4
169.10167	2.6
173.09639	2.6
177.05440	4.7
177.09055	4.0
189.09178	4.4
195.11682	2.4
199.11224	4.2
211.11081	2.5
221.13275	3.7
228.95393	2.1
235.14824	3.6
237.12932	3.4
253.15753	2.4
263.14294	3.8
265.12888	2.4
281.15344	3.7
291.13702	4.1
309.14868	4.0
327.15811	4.7
345.16943	10.6
387.17987	19.9
387.25369	2.7
405.18533	41.8
405.23282	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	405.1905
Annotation	Laxiflorin M
Peak:m/z	Relative Intensity
78.85125	1.9
79.05490	4.0
79.15432	1.7
81.07060	4.0
84.53148	1.9
86.09474	2.0
90.26554	1.8
91.05485	8.7
92.18472	2.1
93.07040	35.5
95.04974	3.4
95.08588	4.1
97.06516	2.1
101.28037	1.8
105.07040	19.6
107.04958	4.7
107.08574	11.3
109.06454	2.9
119.08542	3.3
121.06476	14.6
121.10134	100.0
123.08061	4.3
131.08495	7.0
133.06491	14.5
133.10109	4.2
135.07985	2.4
143.08594	2.9
147.08058	10.6
149.05957	9.3
149.09613	87.7
151.07544	2.6
157.10133	3.7
159.08063	18.5
161.09589	11.4
169.10078	4.6
171.08063	2.7
173.09566	3.6
175.07527	3.0
177.09137	4.9
179.10544	2.4
187.11098	4.4
197.09602	3.3
197.13297	2.7
199.11165	2.4
203.10698	2.3
205.05002	2.0
207.11563	2.8
211.11217	4.1
223.11220	2.5
227.14186	2.6
229.12218	4.0
233.09537	2.8
248.12056	8.0
263.14230	9.9
276.11304	3.0
281.15338	12.6
291.13736	12.1
299.16391	4.3
309.14850	17.0
327.15854	31.0
345.16962	13.5
352.18063	2.4
387.17813	4.5
387.98273	2.4
405.19025	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81279	2.0
57.03431	4.9
63.51387	2.3
65.68427	1.9
68.65289	2.2
73.79214	2.4
84.79626	2.3
91.05459	10.7
95.04993	2.5
105.07021	5.0
107.04939	12.0
109.06532	8.3
117.07017	3.4
119.04940	13.9
121.06477	9.2
123.11572	2.1
129.06956	5.3
131.04886	3.0
133.06566	2.9
135.08032	3.7
137.05981	80.4
137.17950	2.2
139.03880	25.5
149.05960	16.6
150.06790	2.8
151.03931	8.9
151.07542	100.0
157.06464	16.9
161.05965	13.4
161.09653	3.5
162.06689	3.1
163.03842	4.8
163.07544	19.8
165.09117	3.7
165.12750	10.3
166.13118	15.9
167.08601	4.1
174.06758	5.1
175.07574	11.0
177.09128	3.5
181.04961	2.2
189.05528	4.4
189.09094	35.5
189.12862	2.3
193.08589	11.2
193.10143	3.2
195.08069	20.7
195.09766	2.8
208.14154	13.1
221.05998	8.8
221.09489	5.4
223.07510	10.1
225.09067	8.6
225.11049	2.8
227.10660	27.1
238.06177	2.4
240.07840	2.9
253.08627	20.2
253.12206	13.7
255.10181	26.5
267.10172	8.9
272.10449	13.5
275.77261	2.2
281.11844	3.6
285.11172	24.1
286.12009	9.3
287.12793	40.5
313.14343	31.2
316.12900	5.2
330.14554	38.3
331.15390	33.3
387.18393	3.1
405.19455	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	405.2251
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
52.23982	2.4
55.56334	2.4
57.77619	2.5
81.07037	5.6
95.08617	2.7
137.02333	3.4
153.01782	3.8
187.45500	2.6
213.12497	2.9
246.04750	3.1
377.69669	3.4
405.22427	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	405.2248
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
54.29604	1.5
63.49974	1.7
98.70982	2.0
104.75858	1.9
313.65079	1.8
383.29037	2.0
387.21393	7.7
405.22513	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	405.2246
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
81.07071	1.1
91.53072	1.2
93.07045	1.1
97.25416	1.0
118.09048	0.9
149.02965	1.0
169.04700	1.6
181.04665	1.2
203.46710	1.0
215.44572	1.0
354.27689	1.2
387.21393	8.3
405.22430	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	405.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44434	3.6
57.31709	4.0
60.53946	4.2
67.05480	6.6
69.07055	11.7
81.07047	19.1
93.07031	21.0
95.08605	10.1
97.06528	9.4
105.07039	8.7
107.08569	23.3
109.00249	4.9
109.06490	8.8
109.10151	21.4
119.08541	26.3
121.06532	6.6
121.10118	11.0
123.08050	7.2
131.08583	20.3
133.10135	46.8
135.08052	6.7
137.09644	5.1
143.08528	11.6
145.10127	20.9
147.08060	6.2
147.11752	8.8
149.09621	10.4
155.08549	18.8
156.09337	19.9
157.10138	22.5
159.07994	8.1
159.11674	22.8
161.09598	6.0
163.11232	4.7
169.10080	20.5
170.10904	7.5
171.11661	58.4
175.11191	4.5
181.10101	6.7
183.11682	100.0
185.09619	5.8
185.13278	36.4
187.11198	6.3
193.10114	7.6
195.11638	6.3
197.09676	6.5
197.13261	43.2
197.14864	6.3
207.11662	8.7
208.12453	6.0
209.13219	21.4
211.11208	8.8
211.14812	36.9
219.11630	7.2
220.12465	7.5
223.14833	21.5
225.12738	11.0
225.16164	6.4
229.12282	6.7
234.13934	44.0
239.17964	29.0
249.16365	71.8
257.19159	6.9
265.15823	6.3
267.17386	65.7
285.18494	92.3
292.66525	6.4
303.19507	10.0
345.20633	8.3
405.22733	32.0
407.79663	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	405.2636
Annotation	yanuthone M
Peak:m/z	Relative Intensity
55.05499	1.2
57.07063	4.4
65.95954	0.8
67.05491	1.0
69.07050	1.0
71.08622	1.2
81.07043	1.5
83.54137	1.0
93.07005	1.2
95.08578	3.8
97.10193	1.1
109.10172	0.8
135.11646	0.9
139.03905	3.9
153.01830	23.2
163.03856	1.0
179.03383	5.4
191.03371	1.0
191.75009	0.9
193.04942	1.3
205.04948	10.4
233.07951	1.0
261.11356	1.5
264.35767	0.9
289.14288	6.9
303.15903	6.2
317.17523	9.0
331.19052	7.9
345.20660	7.0
387.25287	92.0
405.26349	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	406.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45224	0.4
69.03432	1.0
69.65176	0.4
73.76349	0.4
78.03450	0.6
81.03421	2.4
82.27744	0.5
88.63920	0.4
95.04951	1.2
97.02888	0.9
99.04406	0.8
102.32553	0.5
105.41443	0.5
106.02301	0.5
106.02917	13.7
109.02882	2.5
121.02859	100.0
124.03037	1.0
124.03934	23.5
127.03925	0.9
134.63396	0.5
139.03888	2.7
209.41289	0.6
229.95206	0.5
244.06018	0.7
250.07103	2.9
268.08115	12.6
370.09390	2.9
388.10245	10.0
406.11359	18.8
406.17670	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	406.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
69.03422	1.3
78.03423	0.3
79.05485	0.3
80.82125	0.2
81.03421	4.9
81.07069	0.3
83.05012	0.3
85.02918	1.1
95.04962	1.7
97.02888	2.0
99.04448	1.0
105.03393	24.1
109.02866	2.6
109.06481	0.4
119.08546	0.4
121.10130	1.0
121.18098	0.2
122.02387	3.5
123.04421	1.3
127.03933	1.6
127.07540	2.4
140.03426	100.0
145.10135	1.6
147.11691	1.5
150.84386	0.2
163.11183	2.6
191.10690	2.6
195.96271	0.2
209.11754	2.7
227.12788	1.4
249.07608	2.9
267.08667	1.1
406.11307	11.7
406.19620	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	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
56.05031	2.1
57.03425	5.3
58.99576	3.0
60.04542	1.9
60.27734	1.1
69.07043	1.5
69.32491	1.2
76.02225	20.5
81.07060	23.5
84.04507	23.4
85.01108	1.7
86.00636	2.3
87.02666	8.1
95.08615	2.4
97.06548	1.6
98.09685	20.7
99.08091	7.1
102.05553	5.0
112.03973	7.2
113.04230	7.6
115.05770	1.9
116.01665	22.2
127.05791	1.6
129.06511	3.6
129.07457	1.3
130.04985	12.1
130.06859	7.3
139.03874	1.5
139.05769	2.0
142.03249	2.1
144.01137	16.3
156.08423	26.1
156.10178	20.0
157.06837	13.3
162.02190	32.0
174.09439	6.9
175.55438	1.2
179.03308	1.2
179.04808	6.2
189.03322	2.1
190.08609	5.8
193.08679	2.4
205.08594	30.8
206.02301	1.4
216.06929	10.5
222.11279	13.1
243.17621	1.1
259.11096	100.0
260.09528	2.3
277.12051	4.7
285.12482	1.8
313.12152	2.2
331.13181	3.1
388.14633	2.0
394.47128	1.4
406.15750	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98145	0.9
60.25689	0.8
70.79520	0.8
70.80122	0.7
85.02911	6.7
97.02895	2.1
106.16827	0.9
125.46101	0.9
127.03864	1.1
145.04979	1.2
146.37067	0.9
147.08061	1.2
151.68169	0.8
166.06242	3.3
168.07791	4.9
177.09120	2.0
178.09874	30.8
179.10698	5.2
181.08580	76.9
194.09387	13.8
195.10158	3.6
197.28656	1.0
209.11725	55.5
212.10452	1.7
227.12755	100.0
408.21552	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	8.7
58.23932	1.2
59.18943	1.0
73.02291	1.1
83.04991	8.7
83.08617	10.3
83.23109	1.1
85.02901	2.7
93.07006	2.0
95.04967	54.5
97.02885	1.5
97.06528	1.6
99.04446	17.3
107.08570	5.3
109.10130	5.0
111.08093	2.2
121.10198	1.5
123.11698	4.7
133.10129	6.2
138.32855	1.2
149.13257	1.3
151.11194	19.3
151.78464	1.3
153.09116	26.7
167.14301	28.4
168.59950	1.4
173.13217	2.3
209.15361	100.0
227.16426	5.1
256.61960	1.5
371.20544	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	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	3.3
58.06601	0.9
70.06593	15.1
71.08631	0.8
72.08161	1.7
75.73959	0.9
77.09380	0.7
79.30822	0.7
84.08157	1.8
84.53741	0.7
86.09691	1.4
88.07619	1.1
89.06004	1.5
114.09138	1.1
132.10202	13.5
146.11769	9.8
176.12798	1.7
190.14386	3.9
212.23717	5.1
238.25290	3.1
256.26343	1.5
300.28952	64.1
305.03632	0.7
341.04196	0.8
344.31589	26.6
406.35251	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	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	4.1
58.06590	0.8
59.02880	0.8
70.06594	11.8
71.08609	1.2
72.08144	0.8
84.08134	3.7
86.09698	3.3
87.57537	0.8
88.07619	5.0
89.06010	0.9
92.17913	1.2
102.09216	0.8
114.09143	2.8
132.10188	14.3
146.11757	10.1
159.81874	0.9
176.12796	2.8
190.14357	3.3
212.23737	3.9
238.25171	3.4
256.26337	13.6
300.28952	58.8
336.60794	0.8
344.31546	30.4
360.56271	0.9
388.34564	0.8
394.43405	0.8
406.35223	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	406.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.4
64.25151	0.6
65.57268	0.6
70.06596	14.6
70.29888	0.7
70.69542	0.8
72.08138	1.1
75.36280	0.6
84.08132	3.2
86.09712	3.6
88.07599	2.6
89.06008	3.0
91.85841	0.6
114.09142	1.3
132.10205	9.7
135.79994	0.8
136.11913	0.7
146.11765	10.8
176.12810	4.0
177.02206	1.6
178.01714	3.2
190.14392	3.2
196.02769	2.9
212.23759	3.6
214.03545	0.8
217.99033	0.7
238.25296	3.4
256.26389	3.1
296.05872	0.9
300.28955	60.6
342.06485	1.3
344.31613	32.0
360.07346	2.7
406.35260	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	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49469	0.8
57.07061	3.3
58.06583	0.7
70.06595	11.3
71.08600	1.1
72.08131	1.8
80.54059	0.7
81.94780	0.7
84.08119	2.9
85.10167	0.8
86.09688	4.9
88.07613	1.4
89.06030	2.8
92.18517	1.5
114.09144	1.7
132.10179	8.1
146.11784	11.4
163.85539	0.8
169.31914	0.8
176.12834	3.6
190.14426	3.1
210.67351	0.8
211.30057	0.9
212.23654	2.8
238.25270	3.6
240.26909	0.9
256.26266	3.2
280.03943	0.7
300.28934	65.4
344.31546	26.4
406.35229	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	407.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60123	0.3
57.18522	0.3
64.08161	0.3
69.07050	0.4
71.65956	0.3
80.37040	0.3
83.73540	0.4
84.04525	0.5
85.04025	0.5
86.09701	4.6
89.49445	0.3
98.77373	0.4
100.04007	0.4
100.43523	0.3
122.09624	0.5
139.12279	0.6
141.10208	2.6
150.04091	2.7
150.09158	0.4
163.03865	0.4
167.06755	100.0
167.11815	1.6
168.05159	1.9
179.06726	0.4
185.12862	0.8
193.04704	2.0
193.08345	2.1
195.11273	3.0
203.06715	0.8
207.06255	3.6
213.12347	2.3
217.53334	0.4
219.06264	7.9
221.07733	3.3
231.06247	5.1
248.08771	0.7
281.70871	0.3
343.16132	1.5
361.17276	0.8
371.15991	0.4
389.16751	15.5
407.08112	0.7
407.17703	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	407.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25832	0.6
56.05027	2.3
56.96555	0.7
61.02933	0.9
69.03416	2.6
71.04996	15.1
73.02925	0.8
74.51956	0.6
74.63089	0.5
81.03366	0.6
85.02908	6.2
87.04494	0.5
91.74999	0.5
92.18407	0.6
97.02872	3.1
98.97580	1.0
102.05550	2.4
110.09701	1.1
112.05103	0.9
114.05547	0.6
127.03904	1.4
128.10710	36.0
130.04999	3.0
145.04884	0.9
156.06540	3.1
158.08113	100.0
168.99759	0.7
169.01509	0.6
173.09109	0.8
175.10770	37.6
213.00696	0.7
227.14064	1.0
230.66954	0.7
233.03304	1.2
235.31013	0.6
245.14949	38.7
246.57376	0.6
251.04321	9.4
269.05392	6.4
272.95032	0.6
303.91855	0.6
337.16278	0.6
358.37177	0.6
361.53012	0.6
407.08780	3.9
407.20221	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2064
Annotation	Lasiokaurin
Peak:m/z	Relative Intensity
70.14998	3.6
72.92316	3.5
80.35946	4.0
89.35014	3.8
90.03801	3.7
93.07030	6.2
105.07003	6.0
107.04980	4.0
109.06528	4.1
116.39307	4.6
118.94282	4.1
119.08573	4.2
121.06482	4.8
123.08069	6.6
131.08563	5.9
133.10089	5.4
137.09698	4.3
137.31026	3.8
141.00725	3.7
147.08038	4.6
149.09622	8.3
153.05460	4.4
157.10150	6.1
159.08157	4.2
171.11682	4.9
173.09735	5.2
181.10220	5.8
185.13084	5.8
195.00262	5.0
199.11163	8.1
215.04111	4.2
215.14194	6.0
225.12891	4.0
237.16585	4.3
241.15971	5.7
245.04460	21.8
257.04385	4.7
257.15463	5.5
259.17035	5.5
265.16055	5.3
269.15131	4.6
276.19943	3.7
292.11383	4.3
305.13626	4.6
311.16403	17.2
329.17230	12.9
347.18591	17.0
365.19519	27.5
371.18515	4.6
379.08453	5.8
389.19534	7.5
407.07690	19.2
407.20700	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	407.2062
Annotation	Enanderianin C
Peak:m/z	Relative Intensity
67.05515	7.4
91.05482	17.1
93.07013	39.2
95.04944	14.8
95.08597	11.1
97.06519	8.0
105.07022	64.2
107.08578	33.0
109.06485	13.2
119.08604	27.0
121.06503	49.0
121.10092	13.6
123.08051	28.3
129.07048	10.2
131.08595	10.4
133.06464	63.8
133.10138	44.6
135.04382	12.7
135.08038	40.7
143.08542	14.9
145.06505	10.4
145.10114	33.9
147.08031	10.3
149.09601	16.2
151.07617	14.1
151.11165	13.1
155.08536	17.3
157.10141	9.8
159.08038	17.6
159.11679	8.5
161.09604	39.4
163.11206	15.2
169.10135	13.8
171.11708	18.6
173.09636	15.6
173.13329	7.5
177.09155	9.1
179.10687	13.6
181.10059	15.2
183.11646	9.9
185.09688	7.2
185.13293	9.4
195.11676	15.0
199.11197	32.8
209.09598	8.6
211.11151	14.1
215.14320	9.8
217.12297	9.6
223.11237	14.7
223.14758	9.5
227.10622	15.0
227.69685	8.1
237.16322	9.6
243.13834	15.7
255.17459	9.5
265.15903	32.2
273.15076	7.8
283.16827	51.9
293.15305	40.7
301.18018	9.9
311.16263	59.0
329.17480	100.0
347.18375	31.2
389.19733	15.8
407.20575	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2064
Annotation	Parvifoline I
Peak:m/z	Relative Intensity
52.40395	1.7
57.47165	1.8
69.03423	7.7
69.07050	3.1
79.05502	2.2
81.07045	4.6
91.05475	4.1
93.07030	12.6
95.04951	8.8
95.08596	13.8
96.75567	1.7
97.02892	15.0
97.06511	2.1
99.04494	2.5
105.03413	2.4
105.07024	29.8
105.37653	1.9
107.04914	2.6
107.08569	8.0
109.06501	11.1
111.04396	2.5
115.03874	2.3
119.08583	10.7
121.06486	14.1
121.10159	3.8
123.08073	19.3
123.11708	2.6
125.06005	2.3
133.06509	16.6
133.10115	19.8
135.04391	10.1
135.08041	3.3
135.11674	3.4
137.05980	3.2
137.09596	4.2
145.10110	12.5
147.08043	10.5
147.11639	2.8
149.06044	2.1
149.09631	11.9
151.07550	20.4
151.11121	6.0
155.08525	2.4
157.10168	8.1
159.08055	4.3
159.11647	2.4
161.09549	14.2
163.11154	11.7
163.13350	2.3
169.10135	3.2
171.08032	2.0
171.11674	4.3
173.09637	8.4
175.11156	2.6
177.09103	2.1
179.07040	12.5
179.10722	7.6
181.10101	3.6
183.11670	2.7
187.11206	2.2
189.12740	2.5
191.07129	2.4
195.11699	4.4
197.08076	9.5
197.13298	2.7
199.11131	7.6
209.09619	2.0
211.11192	2.5
211.14673	2.2
215.14389	8.4
225.12880	3.3
237.16380	3.1
239.14519	2.7
247.14902	2.7
255.17503	3.7
257.10260	8.0
258.32645	2.3
265.15945	4.9
267.13812	2.1
283.16888	4.6
293.15262	3.3
311.16458	8.8
329.17450	14.4
347.18552	14.7
365.19550	2.9
371.18689	3.4
389.19583	17.3
403.27209	1.9
407.20663	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	407.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40395	1.7
57.47165	1.8
69.03423	7.7
69.07050	3.1
79.05502	2.2
81.07045	4.6
91.05475	4.1
93.07030	12.6
95.04951	8.8
95.08596	13.8
96.75567	1.7
97.02892	15.0
97.06511	2.1
99.04494	2.5
105.03413	2.4
105.07024	29.8
105.37653	1.9
107.04914	2.6
107.08569	8.0
109.06501	11.1
111.04396	2.5
115.03874	2.3
119.08583	10.7
121.06486	14.1
121.10159	3.8
123.08073	19.3
123.11708	2.6
125.06005	2.3
133.06509	16.6
133.10115	19.8
135.04391	10.1
135.08041	3.3
135.11674	3.4
137.05980	3.2
137.09596	4.2
145.10110	12.5
147.08043	10.5
147.11639	2.8
149.06044	2.1
149.09631	11.9
151.07550	20.4
151.11121	6.0
155.08525	2.4
157.10168	8.1
159.08055	4.3
159.11647	2.4
161.09549	14.2
163.11154	11.7
163.13350	2.3
169.10135	3.2
171.08032	2.0
171.11674	4.3
173.09637	8.4
175.11156	2.6
177.09103	2.1
179.07040	12.5
179.10722	7.6
181.10101	3.6
183.11670	2.7
187.11206	2.2
189.12740	2.5
191.07129	2.4
195.11699	4.4
197.08076	9.5
197.13298	2.7
199.11131	7.6
209.09619	2.0
211.11192	2.5
211.14673	2.2
215.14389	8.4
225.12880	3.3
237.16380	3.1
239.14519	2.7
247.14902	2.7
255.17503	3.7
257.10260	8.0
258.32645	2.3
265.15945	4.9
267.13812	2.1
283.16888	4.6
293.15262	3.3
311.16458	8.8
329.17450	14.4
347.18552	14.7
365.19550	2.9
371.18689	3.4
389.19583	17.3
403.27209	1.9
407.20663	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	407.2063
Annotation	Argentine
Peak:m/z	Relative Intensity
56.94882	0.9
93.07008	1.2
95.04954	1.4
95.58696	1.1
105.07047	4.2
106.90813	1.2
119.08555	5.6
121.06476	2.2
123.08051	6.1
133.06494	1.5
135.07965	1.4
137.05992	1.1
137.09639	7.3
138.51569	1.0
139.07536	1.4
143.08562	4.0
145.06415	1.2
145.10179	1.5
147.08066	4.9
149.06001	7.7
151.07593	1.4
157.10115	1.8
159.08047	1.9
161.06009	2.4
161.09599	2.1
163.11237	1.7
164.41003	1.1
173.09715	1.7
175.07579	5.3
179.07010	1.8
181.10121	1.8
195.11661	1.5
196.08691	1.6
197.09634	2.6
197.13232	5.4
199.11159	11.0
207.11664	2.4
211.11333	1.8
211.14720	1.4
213.12741	2.0
216.11331	1.2
221.13248	2.0
224.11942	1.1
225.12791	9.8
239.14267	4.3
241.12222	4.8
243.13745	5.9
249.12755	2.0
257.15326	2.0
261.14838	1.8
267.13742	26.5
269.15460	1.3
285.14838	19.8
303.15863	54.5
355.39844	1.1
363.17966	24.7
379.08188	1.4
407.20602	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	407.2069
Annotation	Parvifoline I
Peak:m/z	Relative Intensity
51.50716	2.0
55.05519	3.4
63.11897	2.2
67.05495	4.5
69.03426	5.1
69.07065	5.0
70.52253	2.0
79.05505	2.8
81.07037	10.2
83.04977	12.3
83.08633	3.6
84.08976	2.7
91.05476	2.8
93.07043	17.3
95.04967	11.9
95.08598	13.7
97.02866	15.2
97.06488	3.5
99.04468	3.2
105.07009	24.0
105.19417	2.6
107.04943	5.7
107.08584	15.4
109.06518	16.2
113.30136	2.4
114.09159	3.4
117.07025	2.9
119.08556	12.8
121.06510	17.4
121.10130	11.7
123.04463	3.8
123.08059	20.2
123.11700	3.5
125.06016	3.4
131.08574	5.1
132.79665	2.2
133.06471	15.4
133.10118	21.7
135.04425	5.2
135.08075	11.9
135.11682	5.2
137.05971	5.9
137.09622	5.8
143.08566	5.2
145.10132	14.5
147.08069	6.1
149.05983	3.5
149.09633	12.4
151.07523	17.8
151.11192	21.6
152.11525	4.6
157.10185	9.3
159.08040	6.1
159.11636	3.8
161.09592	16.7
163.11143	5.7
167.07182	3.5
167.14310	11.5
168.14636	10.6
169.10146	4.2
170.10907	3.0
171.08113	3.1
171.11681	12.9
173.09608	10.2
173.13214	4.0
175.11208	2.4
179.07010	9.8
179.10722	5.8
181.10124	6.3
185.09532	3.4
185.13313	3.3
187.11218	3.8
189.12772	3.4
195.11650	5.3
197.08060	4.0
197.13364	3.5
199.11121	10.3
201.12843	3.4
207.11719	3.0
209.13426	2.6
209.15379	13.4
209.28827	2.7
210.15706	36.9
211.11220	4.4
213.09122	3.5
213.12799	3.8
225.12724	3.2
231.13966	3.7
237.16306	2.9
241.12239	3.5
249.07610	3.4
257.10455	3.0
265.15817	9.3
267.13834	2.8
269.15823	3.2
271.13306	3.6
283.16925	3.3
293.15335	3.3
311.16531	25.1
329.17520	25.1
347.18698	19.0
356.12360	2.7
365.19614	12.8
371.18463	3.6
389.19690	15.2
407.07666	4.0
407.15952	4.9
407.20627	100.0
407.25638	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06044	0.7
67.05493	1.0
73.34300	0.9
79.05482	1.0
80.29858	0.7
81.07030	3.5
116.97226	0.8
133.09958	0.8
192.36888	0.9
214.19629	0.8
407.24023	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83822	0.8
60.91129	0.8
73.14169	0.9
77.20225	0.8
132.90706	0.7
181.50275	0.8
203.27390	0.8
366.14264	0.8
407.24033	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88519	0.8
75.94849	1.0
81.07040	1.0
85.22014	0.8
93.07017	0.8
94.08493	0.9
105.07074	1.1
108.51740	0.9
108.94554	0.8
113.04433	0.8
126.16724	1.0
133.10170	0.9
228.22537	0.9
264.01645	0.9
284.15051	0.8
313.12646	0.9
325.16208	1.3
407.24023	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	407.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70560	2.9
52.89480	3.1
53.15704	3.5
55.01874	3.3
55.05509	14.2
56.76968	3.3
57.07075	23.9
67.05511	5.3
69.07073	54.3
71.08614	5.7
79.78054	3.3
81.07080	38.8
83.08619	42.0
85.10188	3.6
95.08625	42.8
97.10184	28.2
105.07046	5.1
107.08608	8.6
109.10155	37.6
110.87387	3.8
111.11726	7.1
121.06530	4.4
123.08104	4.9
123.11688	18.9
125.02335	30.8
125.51036	3.1
127.03934	26.7
133.10097	4.4
135.11703	6.5
137.03621	3.9
137.13281	15.3
139.07567	6.1
161.09599	4.4
163.07516	4.3
167.07051	4.5
167.10562	3.9
169.08575	3.9
177.09192	6.2
181.08586	14.5
183.10172	5.5
189.09160	3.8
215.14377	3.7
263.16504	6.1
343.30005	3.8
371.29596	16.0
389.30444	100.0
389.35028	7.0
407.31662	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	408.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89370	0.3
66.04771	0.3
68.98248	0.3
81.03407	1.4
85.02909	0.3
85.06535	0.4
94.04199	0.4
106.02925	3.4
106.34109	0.3
107.08577	0.4
109.02856	0.6
122.03645	2.0
124.03949	19.8
124.83031	0.3
127.03909	0.5
133.10127	0.4
137.05978	100.0
138.75427	0.3
141.05464	55.9
153.05487	2.8
173.05984	1.8
187.07509	0.7
188.24399	0.3
191.07016	4.2
193.15900	1.6
199.16040	0.3
203.07089	1.0
226.07091	0.3
231.06546	0.4
249.07538	7.8
250.07068	0.7
268.08133	23.7
309.26733	0.3
327.12103	0.3
350.61652	0.3
355.11871	0.4
373.12836	3.9
408.12808	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	408.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97405	1.3
51.78088	1.4
52.45757	1.3
54.74101	1.3
55.01868	1.5
56.61335	1.2
62.26913	1.8
65.90247	1.5
73.07686	2.0
74.00655	11.0
75.52436	1.4
76.04014	12.9
78.28996	1.3
83.63937	1.4
84.04503	27.2
85.04015	2.5
88.03981	2.6
92.01694	25.4
99.05578	96.7
103.35152	1.6
112.03934	7.4
117.03782	2.2
127.05031	15.2
130.04997	100.0
131.04518	11.8
133.03229	3.0
136.03944	3.1
145.06084	80.7
149.03816	2.1
153.06587	20.2
160.00613	3.8
177.03288	77.2
178.01620	13.0
181.06085	17.7
185.03809	6.1
195.04338	32.7
199.07153	25.7
211.07219	2.6
231.04407	1.7
256.09384	5.9
261.08987	6.2
274.10306	27.3
279.10120	7.5
283.04944	1.7
288.06482	8.6
306.07532	43.5
324.08469	11.5
345.91818	1.8
408.14240	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80857	0.9
53.38020	1.1
58.38573	1.1
65.59991	0.9
84.97369	1.2
87.55231	1.1
103.05467	8.8
110.81963	1.1
131.04922	51.0
137.05977	31.1
149.05907	1.9
151.07527	1.3
153.05481	1.4
161.05966	2.2
163.07538	5.8
175.07544	10.5
187.07533	22.2
189.05431	4.1
191.07001	1.9
193.05035	3.5
203.07047	4.8
205.05057	1.2
211.07458	1.6
219.08081	6.8
221.08095	2.4
231.06520	1.3
233.09573	1.7
237.08989	1.6
239.07079	5.0
240.07973	1.3
247.07567	8.2
249.07484	32.4
251.10672	4.9
261.09058	2.1
263.06921	1.3
264.07849	2.5
265.08615	14.2
270.08868	1.4
271.09631	4.4
277.08716	10.0
277.73398	1.6
279.07312	1.2
279.10135	10.1
296.10416	4.7
297.11215	12.3
309.94812	1.2
311.12799	6.7
350.19046	1.4
355.11737	100.0
408.16571	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	408.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57738	0.4
85.80628	0.4
92.17918	0.6
93.10479	0.4
113.75763	0.4
121.10149	0.4
122.03641	1.9
124.03950	6.2
125.05993	0.6
135.70285	0.4
137.05978	100.0
141.05467	14.2
143.07025	0.7
144.26192	0.4
153.05476	2.1
167.03522	0.5
173.06000	2.1
175.15051	0.5
191.07091	3.1
193.15854	0.5
203.07063	1.0
226.13159	0.4
234.62328	0.4
249.07526	7.0
250.07019	0.5
268.08136	7.9
327.12338	0.5
373.12796	4.8
408.12903	0.6
408.20734	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.2
58.92175	0.6
67.38239	0.5
69.03420	1.1
75.04445	1.3
75.97054	0.5
84.78551	0.5
85.02916	6.8
97.02858	1.0
99.04482	0.7
103.03949	0.8
125.05986	9.0
127.03893	1.1
137.05977	100.0
140.04663	4.0
145.04955	1.2
163.07547	2.2
195.99152	0.5
197.98625	0.6
199.09727	2.2
200.12849	0.7
211.09660	13.7
218.16136	0.5
219.08749	0.8
223.36153	0.6
229.10709	13.2
246.04819	0.7
246.13390	3.0
373.14899	10.0
408.08057	1.1
408.18372	1.0
424.24588	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	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
61.42058	0.4
67.12189	0.3
69.03419	1.0
75.04474	1.0
77.72941	0.4
78.68979	0.4
80.78123	0.4
81.03436	0.6
82.29977	0.4
85.02908	6.0
92.03063	0.4
97.02883	1.9
99.04478	0.6
103.03948	0.8
107.04936	0.5
109.02847	0.8
109.10069	0.4
116.07051	0.5
122.03629	0.8
123.04401	0.7
123.48038	0.4
125.05992	11.2
127.03917	2.4
134.41058	0.4
137.05977	100.0
140.04698	4.2
145.04967	0.8
151.03931	0.6
163.07550	2.4
181.08609	0.7
200.12738	0.5
201.07623	0.7
211.09654	17.0
229.10686	14.6
237.09651	1.0
245.04466	1.7
246.04741	0.7
246.13390	2.0
309.28900	0.5
314.44479	0.5
373.14902	11.3
408.07953	2.3
408.18353	2.3
423.38873	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	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.9
69.07050	11.2
71.04983	9.0
71.90992	1.9
79.05473	2.7
81.07067	25.2
84.86104	2.0
85.02917	12.5
85.06570	2.7
88.80312	2.0
91.05479	11.6
92.18480	2.2
93.07044	100.0
95.04959	8.2
95.08571	8.1
97.06534	30.9
99.08084	3.8
105.07052	21.8
106.02962	2.3
107.08611	9.4
109.02896	4.4
109.09499	2.4
109.10155	14.1
113.06030	3.2
119.08546	14.8
121.10123	9.4
123.11655	4.9
124.03961	3.8
125.05996	35.8
127.03878	2.9
133.10133	84.3
135.11705	22.2
143.07047	99.6
147.11676	25.6
151.11212	3.1
154.95625	2.3
157.10072	3.3
175.11166	10.4
175.14809	33.8
193.12250	57.9
193.15891	33.3
202.83896	2.4
211.13319	16.7
211.16924	20.2
229.14423	2.8
229.17981	19.8
268.08102	3.3
408.12817	3.5
411.60083	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	408.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
59.05007	3.7
67.05502	6.5
69.07056	2.0
71.04992	2.5
73.06543	0.5
73.12737	0.4
81.07046	2.1
83.08611	0.5
85.06525	1.9
87.08114	0.3
95.67996	0.3
99.08063	1.4
107.08591	0.4
109.10146	15.6
119.09225	0.3
125.35679	0.3
127.75933	0.4
136.06181	2.8
141.12732	100.0
244.15553	5.3
276.18161	41.7
276.65323	0.4
408.22348	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
60.01581	0.6
62.59029	0.8
63.07477	0.6
63.53733	0.7
67.05517	0.9
69.07066	4.1
71.04987	6.1
74.13723	0.7
78.64476	0.7
81.07035	1.0
85.02908	1.6
85.78340	0.7
92.87054	0.7
93.07018	1.2
95.08601	5.3
99.04453	46.0
99.05094	1.5
107.08549	1.5
109.10138	4.5
111.11666	0.7
113.09630	5.2
115.07565	3.6
119.08588	3.6
121.10112	1.5
123.11664	3.3
125.09615	2.8
133.10129	5.3
135.11693	20.1
137.05983	1.5
139.11131	1.3
141.09114	0.8
141.12746	4.2
142.08606	0.9
149.13243	1.3
151.14824	3.6
153.12723	2.8
175.14809	7.3
193.15866	9.1
211.16920	100.0
211.36897	0.8
243.11249	0.8
261.12308	0.9
276.14706	0.7
378.57129	0.7
402.34940	0.9
408.19543	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
60.01581	0.6
62.59029	0.8
63.07477	0.6
63.53733	0.7
67.05517	0.9
69.07066	4.1
71.04987	6.1
74.13723	0.7
78.64476	0.7
81.07035	1.0
85.02908	1.6
85.78340	0.7
92.87054	0.7
93.07018	1.2
95.08601	5.3
99.04453	46.0
99.05094	1.5
107.08549	1.5
109.10138	4.5
111.11666	0.7
113.09630	5.2
115.07565	3.6
119.08588	3.6
121.10112	1.5
123.11664	3.3
125.09615	2.8
133.10129	5.3
135.11693	20.1
137.05983	1.5
139.11131	1.3
141.09114	0.8
141.12746	4.2
142.08606	0.9
149.13243	1.3
151.14824	3.6
153.12723	2.8
175.14809	7.3
193.15866	9.1
211.16920	100.0
211.36897	0.8
243.11249	0.8
261.12308	0.9
276.14706	0.7
378.57129	0.7
402.34940	0.9
408.19543	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	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79624	2.4
53.83642	2.0
61.57933	2.4
67.60648	2.4
69.07050	5.8
75.74996	2.4
81.07078	5.0
83.08606	3.1
85.02913	5.7
92.18498	5.9
93.07021	3.4
95.08606	15.1
97.06525	13.8
105.07025	4.4
107.08577	14.8
109.06527	3.8
109.10136	25.9
119.08565	11.1
121.10148	10.4
123.11697	18.9
133.10100	27.1
135.11684	35.8
137.09674	4.2
149.13246	13.6
175.14824	57.0
193.15863	39.4
211.16928	100.0
328.04147	2.6
339.52365	3.1
367.12927	2.9
430.18781	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	409.0916
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
61.93367	0.2
92.17857	0.4
97.43498	0.3
119.04904	1.4
123.04420	4.6
147.04399	4.3
165.05441	0.5
179.05569	0.3
203.03372	1.3
229.04915	1.9
245.02365	0.4
245.04411	14.8
257.04416	100.0
258.05145	3.5
259.05927	0.5
269.04382	0.7
271.06085	1.3
285.03809	0.3
287.05502	12.5
314.05811	0.4
391.08127	1.5
409.09149	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	409.0917
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
58.77692	0.4
119.04908	0.6
123.04428	4.0
147.04396	3.9
165.05522	0.7
185.31895	0.5
192.97238	0.5
229.05046	0.6
245.04428	15.5
249.39613	0.5
257.04422	100.0
258.05261	2.2
269.04428	0.7
271.05930	0.9
287.05466	11.9
382.75555	0.4
397.96002	0.5
409.09158	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0918
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
93.31375	0.5
114.01836	0.5
119.04908	0.6
123.04409	4.8
132.62695	0.4
147.04382	3.2
165.05447	0.7
229.04857	2.1
245.04399	12.8
257.04416	100.0
258.05276	2.6
269.04330	1.1
271.05978	1.8
287.05475	11.2
307.88947	0.5
391.08316	0.8
409.09180	57.8
409.14288	3.5
409.27411	3.3
417.39780	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	409.0919
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
57.21932	0.3
63.90756	0.3
79.55933	0.3
93.00359	0.3
101.65645	0.3
103.80248	0.3
119.04917	0.6
123.04408	3.6
147.04382	3.1
165.05455	0.4
182.42531	0.3
203.03404	0.4
229.04976	1.7
245.04433	12.8
257.04425	100.0
258.05252	2.1
269.04355	1.3
271.05887	1.4
274.13361	0.4
287.05493	8.9
287.54669	0.3
373.07190	0.4
391.08383	0.5
409.09171	48.9
420.86417	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	409.0919
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
55.60076	0.3
56.91160	0.4
57.70763	0.4
68.21514	0.3
73.70782	0.3
84.17229	0.3
88.53081	0.3
91.02259	0.3
97.32353	0.4
99.71250	0.4
99.94573	0.4
102.87483	0.3
104.26504	0.3
109.69651	0.3
112.28894	0.4
123.04399	1.4
179.31699	0.4
181.74277	0.4
245.04427	5.7
257.04413	100.0
258.05246	3.5
269.04556	0.6
271.06012	0.5
287.05609	3.4
409.09140	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32755	1.0
83.24826	1.1
101.11971	1.2
108.08110	1.1
135.89119	1.3
147.44928	1.1
158.08142	1.2
158.11708	2.7
219.01802	2.4
237.02795	1.4
253.07527	2.0
265.05984	5.6
303.09201	2.3
329.72101	1.2
409.11005	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	409.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96407	0.7
81.77272	0.8
88.81155	0.9
93.25521	0.8
110.27807	0.8
114.05522	24.8
123.04449	1.5
142.04930	5.9
149.04648	4.0
155.03365	1.2
162.96205	0.7
163.03850	1.0
163.98940	0.8
166.07231	100.0
169.04938	13.3
170.04430	1.7
174.07628	4.0
180.02925	1.2
184.06020	1.4
206.10402	0.9
212.05428	0.9
216.08740	1.8
244.08037	6.2
245.04352	1.4
257.04416	12.0
287.05377	1.5
337.14795	0.8
391.12927	0.9
409.09198	8.8
409.14670	38.4
409.21649	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	409.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	9.1
66.01818	3.8
79.05514	4.0
81.03429	5.6
91.05457	7.6
93.03378	19.0
105.03397	4.8
107.04942	9.5
109.02910	5.8
111.04433	8.4
119.04922	26.7
121.06519	30.6
123.04456	27.9
125.05956	7.4
133.06477	4.5
135.04315	5.3
135.08052	4.4
137.02336	35.2
137.05922	5.9
139.03896	78.5
146.07251	48.8
147.04475	5.3
147.08046	91.8
149.02376	4.3
149.06006	13.5
151.03899	6.5
151.07512	8.2
153.05508	7.9
153.60797	3.5
161.05972	4.3
163.03896	26.2
167.03391	35.9
177.05429	4.4
179.03403	5.0
181.04884	8.7
191.03502	4.2
193.05005	17.1
194.05650	5.6
197.04544	6.7
199.07544	18.6
209.04510	9.5
216.07869	6.0
229.04863	4.3
241.04919	5.8
245.04433	16.0
247.05887	4.5
257.04382	57.4
259.05933	5.5
259.06790	5.4
259.09628	77.6
271.06091	7.7
271.09579	16.8
285.07602	36.2
285.11197	100.0
287.05515	25.7
287.08716	4.4
299.09177	5.9
311.09161	22.8
317.10132	37.0
329.10159	76.3
343.11792	26.0
347.11185	66.5
355.11771	42.6
361.12698	16.3
373.12958	44.0
391.13870	70.7
409.09143	74.4
409.14935	36.5
409.21661	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	409.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71599	0.9
54.73143	0.8
60.19973	0.9
67.05216	1.0
69.07050	1.5
102.53033	0.9
103.73109	0.9
106.02895	1.4
109.10153	1.1
109.60281	1.0
111.91168	0.9
124.03961	5.7
142.98883	1.0
206.47498	1.0
247.13191	1.9
352.36691	1.0
360.11969	1.1
409.18466	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93216	0.5
53.03465	0.5
66.59974	0.5
94.46540	0.6
112.77157	0.5
119.04873	0.7
121.06475	0.8
123.04426	3.6
135.08096	1.2
137.05988	0.8
145.10107	0.6
147.04407	3.3
147.08099	0.6
157.10231	0.6
163.07497	1.0
173.13258	0.7
187.11212	1.1
191.07068	0.7
194.28792	0.5
201.12801	0.6
229.04964	0.7
229.12120	0.8
245.04382	8.5
247.13306	3.5
257.04419	34.5
258.05173	1.1
287.05487	6.6
391.08194	0.6
391.17554	0.9
409.09637	24.8
409.18289	100.0
409.27267	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37886	0.6
59.93468	0.6
95.40068	0.7
111.46075	0.6
115.93438	0.6
123.04419	2.9
149.78189	0.8
177.25879	0.7
242.88440	0.8
245.04274	2.5
257.04370	5.9
287.05530	5.1
406.41702	0.7
409.09195	7.8
409.18307	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30803	0.4
57.06290	0.3
93.07021	0.4
109.03289	0.4
109.10140	1.5
141.12717	6.3
142.13106	4.3
142.46686	0.4
203.05287	0.5
219.17267	0.4
247.13007	3.3
276.18124	0.8
277.18527	2.6
280.02487	0.5
409.18283	100.0
409.22580	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	409.2217
Annotation	Maoesin B, (rel)-
Peak:m/z	Relative Intensity
52.44202	1.7
52.68087	1.6
55.05505	1.6
57.03428	1.9
59.20313	1.8
64.14304	2.1
67.05500	2.7
69.03419	4.0
69.07064	3.1
79.05481	3.7
81.03400	4.0
81.07054	8.5
83.04974	4.0
83.08601	2.6
91.05450	4.0
92.18530	3.3
93.07041	12.7
95.04998	6.6
95.08579	13.3
97.06512	3.5
105.07063	17.0
107.04951	3.3
107.08594	23.7
109.06534	15.3
109.10150	8.1
117.07020	3.0
119.08570	9.7
121.06475	10.7
121.10127	9.0
123.04425	3.9
123.08051	17.4
125.09639	9.3
129.06891	2.1
131.08563	11.4
133.06490	7.6
133.10129	9.0
135.08029	16.5
135.11620	4.0
136.53246	2.0
137.05995	2.8
137.09587	10.0
141.12770	3.7
141.54558	1.9
143.08571	15.0
145.06500	2.8
145.10121	11.9
147.04413	2.1
147.08061	9.2
147.11620	3.8
149.09618	8.1
149.13191	2.6
151.07526	8.2
155.08566	4.2
157.10075	9.0
158.97841	1.9
159.08057	11.5
159.11668	13.3
161.06024	2.2
161.09622	13.9
163.07449	2.1
163.11133	3.0
165.05344	3.0
169.10129	12.8
171.08031	8.1
171.11670	11.5
172.08890	2.1
172.41179	2.1
173.09660	15.7
173.13333	3.3
175.11171	8.9
177.09039	2.2
179.10635	2.2
183.11691	9.8
185.09595	4.5
185.13210	3.6
187.11183	14.2
191.10576	3.8
193.10117	3.1
195.11656	3.3
197.09698	3.8
197.13263	4.7
199.11185	3.0
201.09200	4.1
201.12746	10.7
207.11743	3.1
209.09659	3.0
209.13313	2.3
211.11174	9.2
211.14819	2.7
213.12785	4.2
215.10710	3.5
223.11198	3.5
223.14758	3.0
225.12758	7.5
227.14217	4.3
229.12231	3.3
239.18102	3.0
245.04451	4.8
247.13174	4.0
257.04391	34.2
267.17398	4.3
271.16840	2.7
277.15823	2.4
285.18356	3.8
287.05515	7.9
295.16943	11.0
313.17941	12.9
331.19034	100.0
349.20108	4.7
391.21207	16.2
409.09540	22.2
409.17221	40.3
409.22308	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73029	2.4
54.95636	2.8
56.24712	2.2
56.72111	2.4
67.98177	2.2
85.37939	2.6
91.90744	2.7
93.96994	3.0
101.93463	2.9
109.74802	2.4
144.59007	3.1
158.46506	2.5
173.52232	2.6
257.04486	5.4
382.97339	2.8
383.32373	2.5
409.09314	6.1
409.20624	5.1
409.25677	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84209	0.8
64.05160	0.8
87.32795	0.9
131.76768	0.7
182.24498	0.7
320.79501	0.8
368.14468	1.4
409.09036	1.4
409.25595	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	409.2737
Annotation	Callophycoic acid F
Peak:m/z	Relative Intensity
54.82499	0.5
55.05505	0.7
66.71709	0.6
67.05477	3.1
67.88111	0.7
69.07072	14.3
81.07035	4.4
93.06983	1.0
95.08589	3.0
97.06525	3.9
99.08094	0.8
107.08586	1.2
109.10162	8.2
119.08556	1.7
121.06536	0.8
121.10148	1.6
131.08553	1.3
133.10077	0.9
135.11710	0.9
136.94739	0.7
143.08502	1.1
145.10112	4.9
147.11737	1.3
155.08467	1.1
157.10120	0.8
159.11685	1.3
161.09613	0.8
169.10011	1.0
171.08066	1.3
171.11632	1.1
173.09645	5.3
173.13251	0.9
181.10027	0.9
183.11719	0.9
187.11249	1.1
189.74396	0.6
191.10638	5.4
193.10089	1.2
195.11688	1.5
197.13223	2.8
199.11172	1.4
199.21338	0.7
201.16310	0.9
209.13295	1.3
211.11201	1.1
211.14786	0.7
213.12706	2.6
219.11780	0.8
221.13249	1.0
223.11086	1.0
223.14859	0.9
225.12724	5.8
233.13252	1.0
235.14771	1.4
237.12698	1.3
239.14249	3.3
247.14879	1.1
249.12669	0.7
251.14232	1.3
253.15871	2.6
253.19344	1.2
255.17409	3.2
263.14456	1.1
265.15784	1.0
277.15729	1.2
279.17303	1.1
281.15372	3.1
281.18881	0.9
282.15988	1.1
283.16943	3.4
295.20563	0.8
299.16339	1.6
301.18027	3.3
302.16745	0.7
307.20483	0.7
323.23764	1.6
327.19571	1.1
335.20114	1.2
339.19409	1.2
353.21024	6.1
354.22116	1.4
373.25183	0.9
391.26196	5.2
409.27335	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07051	13.9
71.64668	10.9
79.41912	14.1
81.07049	24.1
83.45747	13.3
93.07022	23.5
95.04985	19.4
95.08602	28.7
98.42433	13.5
105.07039	78.7
119.08586	66.5
119.91842	12.4
131.08591	17.2
143.08521	19.3
145.10146	47.0
147.07959	17.6
147.11731	17.0
151.07509	23.4
175.11208	15.0
180.12152	11.8
221.15350	60.0
243.15834	12.1
278.86200	12.4
383.83844	11.8
393.09641	15.6
409.27209	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	409.3313
Annotation	Diacarnoxide A
Peak:m/z	Relative Intensity
55.05518	5.4
57.07085	4.3
62.90391	4.0
69.07078	36.9
71.08627	8.8
72.39323	4.2
83.08617	10.3
97.10170	6.9
109.02872	19.7
127.03910	100.0
141.05484	6.4
169.08711	5.8
183.10178	8.0
199.63211	4.2
314.43271	5.6
371.85092	4.0
391.32172	38.8
391.36713	4.2
409.33255	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	410.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31487	1.8
50.45673	1.8
60.41634	2.2
67.05510	3.8
69.07056	2.4
72.07405	2.1
74.88220	1.8
81.07043	5.2
83.04991	2.4
91.05489	2.8
93.07046	8.1
95.04988	2.9
95.08620	25.5
105.07041	7.6
107.08587	15.4
109.06525	8.5
109.10165	9.3
119.08571	15.6
121.06494	7.6
121.10136	20.3
123.08054	23.5
123.11689	3.1
131.08565	3.1
133.06526	2.5
133.10132	13.7
135.08047	3.3
135.11708	2.8
143.08575	10.6
145.10121	11.9
147.08014	5.0
147.11694	3.4
149.09645	9.7
151.07587	3.2
151.11205	9.2
155.08569	3.4
156.09319	2.3
157.10146	12.5
159.08026	2.7
159.11693	10.3
161.09683	2.6
169.10173	8.7
171.07982	2.3
171.11708	8.0
173.09616	3.2
181.10175	3.5
185.09624	3.2
185.13300	13.5
187.11157	3.5
187.14883	4.1
195.11739	4.9
197.13235	2.8
199.11259	3.9
205.06024	2.5
207.78526	2.5
209.13225	12.8
211.14642	2.8
213.12798	4.9
217.38127	2.1
225.16493	3.3
227.17947	2.5
231.13704	2.3
241.19519	3.7
243.17657	3.8
251.18039	8.6
253.15887	13.7
257.04446	5.1
258.04794	12.4
269.19012	19.7
271.16916	100.0
279.17557	4.9
287.20071	4.7
297.18454	18.6
315.19525	43.5
333.20581	17.4
369.12567	2.7
375.21829	9.1
410.09552	4.5
410.25266	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	411.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57331	0.9
76.76621	0.8
83.08878	0.9
179.37904	0.9
182.09050	0.9
202.87862	0.9
217.06828	100.0
224.03482	0.9
231.01791	1.4
233.04172	3.6
249.02768	1.6
267.03699	1.2
280.41351	0.9
291.03864	3.7
305.88315	0.9
309.04895	1.5
311.11365	1.0
411.08963	92.8
411.13406	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	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79222	1.7
59.34148	1.6
62.31013	1.4
63.89094	1.5
66.09140	1.2
70.29459	1.4
91.71723	1.4
104.29967	1.7
106.61318	1.8
123.04379	6.9
130.75856	1.7
136.09564	1.7
136.60768	1.6
139.03836	3.5
147.04424	2.4
151.03775	1.9
155.03145	1.5
161.05902	3.0
163.03816	13.0
194.14647	1.5
196.36995	1.5
207.06456	2.9
230.51643	1.4
242.23979	1.5
245.04199	1.5
247.05901	1.5
259.06058	10.4
273.07471	11.0
279.11954	2.8
411.12186	100.0
411.16357	15.3
417.18747	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	411.147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90433	0.6
79.37025	0.6
89.24058	0.6
131.75298	0.6
152.78191	0.7
158.20020	0.7
171.69972	0.7
217.06819	100.0
235.06447	5.0
253.07634	2.9
276.06900	2.7
277.07687	6.9
289.07745	0.8
291.09283	0.8
295.08728	1.1
302.08301	1.0
411.08832	2.5
411.13528	15.2
429.44031	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	411.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12049	1.0
68.57799	1.1
70.62712	1.1
80.66293	1.1
86.98046	1.3
88.77174	1.1
91.05478	2.4
171.68661	1.3
219.01668	1.8
237.02724	1.9
258.00302	1.5
345.95755	1.3
351.16489	1.4
411.17664	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
52.22615	0.2
69.07061	0.3
73.66504	0.2
89.78187	0.2
111.27236	0.2
141.65076	0.2
203.05450	0.2
249.14633	1.1
303.56293	0.3
411.19867	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	411.2375
Annotation	Rhodojaponin II
Peak:m/z	Relative Intensity
55.05507	4.3
56.02143	2.3
67.05492	18.3
69.07066	4.6
73.73365	2.6
79.05481	12.7
81.07043	15.2
83.08606	14.5
91.05470	14.7
91.14032	2.4
93.07041	31.0
95.08579	18.9
97.10191	3.9
99.08069	4.0
107.08574	20.8
109.10114	6.1
111.08049	4.6
117.07022	3.0
119.08533	13.0
121.10121	40.7
123.08060	3.9
125.09602	3.4
127.03901	66.3
131.08586	5.8
133.10115	16.5
135.08116	2.5
135.11671	16.5
137.09628	16.7
139.03885	21.9
147.11671	12.9
149.09605	5.8
151.11188	6.1
153.01814	83.0
153.09134	4.2
171.11684	3.8
213.16402	5.3
231.17400	6.6
249.18462	100.0
267.19519	10.8
375.21570	42.6
385.02493	3.1
393.22565	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44193	2.7
54.99353	2.6
55.01873	5.6
55.05266	3.1
55.05518	17.5
57.03433	17.1
67.05518	28.2
68.08727	3.7
69.03448	4.0
69.07065	18.1
69.54883	3.6
71.08624	23.8
79.05499	29.7
81.03416	7.1
81.07047	35.9
83.04967	4.7
83.08620	5.1
85.02881	5.3
85.06543	11.7
91.05484	44.5
93.07030	42.5
95.04943	16.1
95.08605	22.9
97.06528	13.6
99.08110	4.8
105.07040	27.4
107.08601	20.2
109.06548	6.5
109.10143	7.0
117.07000	22.6
119.08594	38.5
121.06464	6.9
121.10145	16.1
123.08069	4.8
125.09600	5.3
129.05453	12.5
129.07022	5.7
131.08580	31.7
133.10139	38.7
135.08058	19.7
135.11700	18.4
137.09610	4.2
141.09120	21.5
143.08572	14.1
145.10114	27.1
147.11668	4.9
149.09586	4.2
157.10152	5.0
159.11691	30.0
161.09616	24.7
161.13345	4.4
163.11197	7.3
169.10083	3.9
171.11679	3.9
173.13242	7.5
177.12730	23.8
179.10681	4.4
179.14200	3.7
183.11707	6.4
185.13174	4.0
187.11169	34.5
201.12730	6.1
203.14264	4.0
205.12248	3.5
218.14644	3.3
219.13853	14.2
297.16760	4.6
301.21609	23.8
311.18588	23.9
319.22720	30.0
393.26328	100.0
411.27573	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2892
Annotation	Nigrolineaquinone A
Peak:m/z	Relative Intensity
50.00531	0.9
51.79587	0.8
53.09418	1.2
53.28989	1.0
54.06160	0.9
54.07172	0.9
55.05478	1.1
55.84044	0.9
64.98740	1.2
67.05495	1.8
69.07063	8.7
81.07052	10.2
83.08519	1.0
91.05441	1.7
92.17751	1.2
93.07021	6.9
95.08624	8.1
96.31838	1.1
105.07021	2.5
107.04990	1.2
107.08576	13.6
109.06475	1.2
109.10160	10.2
119.08562	6.7
121.06499	1.8
121.10132	4.5
131.08565	5.1
133.10086	5.8
135.08055	2.3
135.11731	1.7
143.08528	2.6
145.10110	11.2
147.08009	5.0
147.11682	1.6
149.13257	1.2
157.10127	1.3
159.11707	6.4
161.09581	2.5
161.13235	4.3
163.11230	1.5
171.11661	4.7
171.95561	1.0
173.09630	8.2
173.13255	6.3
175.11131	1.4
185.13255	2.1
186.16571	1.3
189.09091	2.6
191.10655	7.0
197.13219	1.7
199.14835	5.6
203.18086	2.2
209.11696	2.5
213.12737	5.4
223.14815	1.8
227.14345	2.1
231.13731	6.0
246.98907	1.1
249.14864	5.0
255.21056	1.8
283.16946	4.4
301.18039	11.7
327.19580	1.6
329.21225	1.5
337.21451	5.4
341.21127	10.8
353.21317	1.5
355.22501	12.4
381.24115	4.7
393.27756	6.2
396.26581	2.7
403.35754	1.2
411.28891	100.0
434.60095	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	411.3621
Annotation	7-dehydroporiferasterol
Peak:m/z	Relative Intensity
53.91845	1.1
55.05514	2.3
56.92857	1.2
57.07079	10.1
57.71634	1.3
64.69695	1.4
67.05488	6.5
69.07077	18.3
71.08621	9.4
79.05484	2.0
81.07065	20.0
83.05000	1.4
83.08603	9.8
85.10181	3.3
91.05467	5.5
93.07037	10.3
95.08599	28.5
97.10142	6.0
105.07012	18.2
107.08598	8.0
109.10148	15.5
111.11703	3.1
116.90500	1.6
117.07015	2.2
119.08553	11.2
121.10122	8.5
123.11703	5.9
129.06987	5.9
131.08537	10.0
133.10121	10.5
135.11688	6.1
137.13229	2.7
142.07704	1.7
143.08510	3.6
145.10120	12.6
146.29962	1.4
147.11674	18.2
149.13263	2.4
155.08626	1.8
157.10095	16.2
159.11687	20.9
161.13268	6.2
163.11156	2.1
163.14737	1.7
169.10147	1.9
171.11635	6.2
173.13234	8.3
175.11180	20.4
177.12695	2.1
183.11758	1.8
185.13293	5.7
187.14830	2.1
197.13248	3.4
199.14751	2.8
211.14813	5.7
213.16409	2.7
225.16382	2.0
229.15785	1.7
239.18013	3.4
253.19444	5.6
383.36551	2.0
393.35104	23.2
411.36197	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	411.3621
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
55.53661	5.7
57.07102	5.9
57.09069	5.0
61.74009	5.7
62.01700	5.9
69.07059	13.1
81.07052	25.8
82.01192	7.8
83.08665	6.5
93.07033	11.0
95.08622	27.8
109.10155	11.8
145.10075	8.9
149.38907	7.5
157.10078	10.7
159.11638	14.3
161.13248	8.5
185.13213	6.8
246.12268	6.7
275.73550	7.7
279.19604	6.9
393.35303	13.5
411.36279	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	412.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12460	0.3
65.66360	0.3
67.05497	0.7
69.03412	2.5
71.04993	0.5
75.42970	0.4
79.05490	0.9
80.05026	0.4
81.03414	2.7
81.07059	13.8
85.02901	6.5
85.06541	19.0
96.04495	0.5
97.02884	2.5
108.26680	0.4
109.02856	1.8
109.06519	6.2
124.03947	100.0
127.03928	2.4
127.07526	10.3
145.04929	0.5
147.04398	0.5
166.38515	0.4
173.06020	0.5
201.05431	0.6
206.15149	0.4
234.18532	2.6
253.10828	0.4
260.06345	0.8
266.91330	0.5
271.11728	0.9
282.09814	0.8
389.70731	0.4
394.15234	0.7
412.10956	2.0
412.16016	5.7
412.23529	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	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12488	0.8
56.18464	0.9
57.83796	1.1
67.61967	1.0
74.42831	1.1
79.84747	1.0
191.08481	1.6
194.07234	1.2
205.06534	4.3
209.09642	4.6
209.38567	1.1
211.07646	1.3
219.07970	7.6
221.05960	1.6
222.06776	4.4
225.09241	1.8
231.08025	2.1
232.95218	1.2
233.06018	6.0
235.07539	4.4
237.09087	14.7
238.09882	1.2
239.06978	8.0
241.08649	1.6
245.09749	1.4
247.07526	2.2
249.09166	1.4
250.06104	1.8
253.08568	4.5
259.07474	8.5
259.09747	2.1
263.10638	5.1
264.07767	1.9
265.08588	96.7
267.10239	10.6
269.11731	1.1
271.09631	32.0
276.07944	1.9
277.08679	1.8
279.10193	20.3
282.08762	2.0
285.11227	11.1
291.10147	11.9
295.09476	1.3
297.11206	100.0
299.12772	6.7
308.10477	1.7
311.12793	4.2
315.12393	9.9
323.12708	19.7
333.13373	4.3
341.13837	88.5
359.14911	22.3
377.15881	23.8
412.19580	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	412.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20959	0.4
106.04177	0.5
107.04964	0.7
119.04922	1.1
121.06490	2.1
124.03992	0.6
131.04901	0.5
133.06436	1.0
135.04390	1.9
137.05957	1.0
144.64903	0.5
146.07275	5.0
147.08049	2.3
149.05966	6.4
151.07542	0.5
161.05977	2.3
162.06618	0.8
165.05464	2.1
167.05563	0.5
167.07027	0.8
167.08589	0.4
177.05455	4.3
177.09015	0.7
179.07042	0.5
213.09013	1.6
214.15617	0.4
243.10191	0.9
254.09441	0.7
265.08578	2.6
271.09650	6.9
279.10004	0.6
282.08865	4.3
285.11185	1.9
291.10190	0.5
296.10461	2.3
297.11209	100.0
311.12790	2.7
315.12216	6.2
323.12775	8.9
333.13385	4.7
341.09732	0.8
341.13843	20.2
359.14886	7.8
376.96326	0.5
377.15927	5.6
395.16980	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	413.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45984	0.2
60.08812	0.2
66.48718	0.2
69.03436	0.3
85.02902	0.3
115.48364	0.2
120.59721	0.3
124.07517	0.3
147.04456	0.3
153.01820	1.3
164.18614	0.2
177.05394	1.3
192.04134	0.3
205.04936	6.7
217.22104	0.3
233.04536	0.3
251.05481	100.0
261.69971	0.2
413.10120	2.4
413.22122	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	413.1206
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
53.50784	1.0
60.15864	1.1
65.23132	1.3
83.04996	2.3
92.18443	1.8
131.04956	14.8
185.05725	23.1
413.12036	100.0
413.30862	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.36326	0.3
56.05040	0.3
57.03433	0.3
74.06062	1.7
97.02885	0.5
102.05537	1.9
119.03587	0.5
120.06564	8.4
136.06180	100.0
162.04092	60.5
272.65503	0.3
281.09903	49.8
287.82776	0.3
305.28787	0.3
316.44684	0.4
413.14227	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	413.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13515	0.3
76.14184	0.4
84.01907	0.4
93.41001	0.4
95.01081	0.4
111.00576	0.5
112.01333	0.8
113.02113	1.7
136.06178	1.9
139.03920	0.6
162.04088	1.5
176.04425	1.7
185.04224	3.7
201.03627	0.6
202.04462	0.6
203.05264	0.8
207.46269	0.4
251.08849	1.7
259.07849	0.9
280.72562	0.4
281.09915	0.6
354.17352	0.4
413.14148	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	413.1783
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
55.05502	1.5
58.10960	0.9
62.30601	0.8
81.07046	0.9
83.04965	4.8
84.05297	1.4
85.02900	1.9
85.20752	0.9
99.04457	1.0
111.24370	0.9
124.03990	1.6
203.05292	7.1
230.13774	1.1
231.28102	1.0
233.11792	1.1
233.15292	1.4
251.12787	1.2
386.40540	1.2
413.17291	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	413.1809
Annotation	Brucein E
Peak:m/z	Relative Intensity
66.73633	6.1
87.36495	5.5
91.05479	6.2
93.07029	5.9
95.04940	20.2
107.08590	9.1
121.06511	5.8
123.04383	10.5
125.06013	8.2
131.21117	5.8
133.06509	9.1
135.08012	6.2
137.09665	8.2
143.37091	5.4
149.05992	6.2
157.10037	7.1
163.07492	19.1
165.09079	12.5
173.09575	9.3
175.07457	5.5
179.07022	6.0
181.08595	6.9
181.10118	7.4
185.09654	6.4
187.11238	10.4
199.11243	20.8
201.12723	6.3
211.11220	6.5
213.12657	11.8
217.04910	19.6
225.12695	6.7
227.10669	24.7
229.12236	10.8
231.13809	29.5
241.12242	6.2
241.15836	8.2
243.13699	17.9
251.14345	7.4
267.13916	6.1
269.15347	8.0
271.13135	6.9
275.12833	19.9
285.14850	10.5
303.15906	7.2
305.13785	27.0
315.16003	7.0
331.15311	28.9
333.17130	12.0
347.15118	8.0
351.17947	29.7
359.14911	31.8
367.17426	6.3
369.19028	25.6
377.15811	38.2
395.17084	30.7
413.08496	7.8
413.18018	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	413.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76989	3.0
63.10370	2.7
67.05470	3.2
69.03413	5.5
69.07074	13.6
71.26204	2.9
76.73413	3.0
81.07070	3.9
83.04964	12.2
91.05486	4.6
92.17759	3.1
95.04979	4.4
95.08604	6.7
95.23787	3.2
97.06519	14.7
105.07050	7.5
107.08549	4.3
110.36109	3.0
112.90990	3.0
119.08568	6.2
121.06514	7.5
123.08084	4.2
129.06976	4.0
130.92239	2.8
131.08488	11.3
133.06491	13.9
133.10109	4.5
135.08037	4.5
143.08578	5.4
145.06503	4.7
145.10123	16.7
147.08139	3.7
155.08554	5.0
157.10178	11.3
159.08069	7.3
161.09578	5.1
169.10123	6.9
171.08041	4.3
171.11586	3.6
173.09720	4.6
177.09100	3.3
179.08534	7.1
181.10104	15.1
183.08087	4.5
183.11725	4.3
185.09628	6.9
192.09299	13.3
193.10143	15.5
194.10950	3.8
195.08058	6.8
195.11728	28.1
197.09607	14.4
206.10954	3.7
207.11684	18.6
208.12439	4.4
209.09538	22.7
209.13173	5.9
210.10437	4.2
211.11113	3.9
213.12735	4.8
217.10155	5.0
218.10846	6.1
221.09705	5.7
221.13281	5.8
222.10437	4.6
222.13943	5.0
223.11038	23.5
223.14780	13.8
225.12978	3.7
227.10733	6.0
232.12444	18.3
233.13206	15.1
235.11269	14.7
236.12035	5.5
237.16443	6.3
241.15950	4.1
245.09586	11.7
247.11018	3.4
247.14822	17.1
249.12727	12.2
250.13542	13.3
251.10680	16.1
251.14407	15.7
260.11890	16.6
263.10788	3.8
263.14215	6.2
264.11288	3.0
265.15887	40.5
269.15305	3.4
275.14258	29.3
278.13129	5.3
281.15454	5.3
283.16812	7.4
292.51260	3.7
293.15417	68.6
311.16479	36.2
329.17612	3.6
335.16287	4.0
353.17520	26.5
371.18622	23.0
374.40781	3.8
395.18921	4.0
413.19525	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	413.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95826	3.5
53.28389	3.1
53.90155	3.3
81.07040	3.8
82.81709	3.7
93.07043	7.6
104.76964	4.0
105.07050	7.6
119.08569	6.3
131.08563	5.7
133.06522	14.7
143.08505	6.9
145.10133	7.6
159.08162	6.9
169.10135	5.9
171.07927	5.2
173.09547	4.9
179.08604	7.8
181.10117	20.2
183.11697	7.4
185.09654	9.0
192.09348	9.1
193.10152	16.4
195.11635	29.1
197.09589	10.0
197.13390	4.6
201.09105	6.5
206.10849	4.7
207.11694	22.0
208.12471	14.7
209.09615	20.3
209.13216	5.7
211.11201	6.5
217.10234	6.9
219.11823	5.3
221.13176	7.8
223.11140	17.7
223.14784	9.1
225.12856	4.5
232.12505	18.9
233.13153	5.7
235.11148	19.3
235.14752	5.5
236.12053	10.0
237.12698	8.5
237.16415	8.5
239.14471	5.1
247.14790	26.5
249.12784	23.8
250.13545	17.2
251.14314	17.3
253.12115	6.0
260.11813	5.8
263.14319	5.3
265.15875	44.7
267.13892	5.7
269.15295	4.8
275.14307	9.1
281.15527	5.0
283.16940	9.7
293.15363	80.8
311.16360	63.1
335.16608	6.3
353.17599	47.2
371.18427	31.7
413.19519	100.0
424.51440	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	413.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26893	3.6
51.97720	3.2
55.05514	3.3
57.17416	2.9
69.07073	4.4
69.75539	4.0
70.73537	3.4
79.05515	4.8
83.04952	4.7
91.05470	4.8
93.07056	7.4
94.45382	4.0
95.04926	5.1
95.26584	3.4
97.11337	3.8
99.15390	4.1
105.03394	6.8
105.07027	18.3
109.06523	6.9
113.51540	3.7
119.08601	5.1
121.06501	8.2
131.08542	7.5
133.06459	15.4
135.07979	5.8
143.08554	15.2
145.10161	5.7
147.08109	6.0
155.08572	7.3
159.08118	7.7
161.09572	7.8
167.08595	5.2
169.10118	8.3
171.08063	6.5
173.09621	7.5
179.08511	7.8
180.09326	4.3
181.10130	6.8
183.11641	6.0
185.09599	7.2
191.10646	4.6
192.09302	4.9
193.10158	22.0
194.10860	4.0
195.08041	5.5
195.11714	17.6
197.09718	7.5
199.11163	4.3
206.10902	4.4
207.11664	7.1
208.09097	4.3
208.12486	6.9
209.09674	9.5
209.13148	12.7
211.11201	9.1
217.10156	15.0
218.10794	6.0
221.13168	8.9
222.13933	4.3
223.11180	21.4
223.14818	15.0
232.12503	8.0
234.10487	4.2
235.11055	14.4
235.14803	8.2
236.12054	8.1
237.12790	6.4
237.16376	9.6
239.14368	6.7
247.14764	9.4
249.12735	18.6
250.13531	14.4
251.14302	16.5
260.11920	19.7
263.14395	15.9
265.15851	59.8
267.13849	5.9
269.15268	4.6
275.14355	32.1
278.13086	6.2
281.15540	7.5
283.16971	14.2
293.15326	100.0
311.16336	57.7
329.17191	6.3
353.17459	33.0
371.18518	38.6
413.19556	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37036	2.8
69.07055	13.5
73.58495	2.8
79.05478	3.1
81.07071	3.5
81.57751	2.7
84.45177	2.5
91.05504	4.5
92.17792	3.1
93.07008	3.2
95.08591	6.6
97.06523	17.7
105.07022	17.8
107.08585	5.6
117.06985	4.4
119.08542	5.7
121.06495	5.9
121.58436	2.9
123.08052	3.1
129.06985	4.0
130.04213	2.9
131.08543	12.0
133.06480	12.7
139.07581	6.0
143.08542	11.7
145.06493	4.0
145.10095	21.1
149.06006	6.9
153.06999	3.8
153.79164	3.2
155.08568	6.6
157.10132	7.2
159.08044	6.0
159.11797	4.4
161.09619	5.1
165.06931	4.5
167.08513	4.1
169.10062	9.8
171.08034	5.8
173.09543	4.7
179.08633	6.4
181.10083	16.7
183.08025	5.3
183.50882	3.5
185.09662	10.5
192.09335	6.2
193.10132	19.5
194.07176	3.1
194.10846	4.7
195.08118	4.5
195.11659	24.1
197.09554	6.5
199.07509	3.7
199.11201	4.8
203.08728	3.0
205.10138	6.6
207.11713	20.0
208.08766	4.9
208.12396	6.8
209.09605	18.7
209.13243	5.4
211.11208	14.4
213.12691	5.1
217.10121	17.9
218.11041	5.3
221.13223	6.7
222.10500	4.5
222.13976	4.5
223.11111	22.3
223.14748	12.3
225.09160	4.1
231.11710	4.7
232.12476	21.1
233.09605	3.9
233.13239	12.8
235.11217	15.4
235.14832	7.0
236.11958	12.8
237.09042	4.6
237.12746	10.8
237.16336	12.3
239.10730	4.0
239.14401	4.9
241.12271	3.7
245.09624	6.8
247.14806	28.4
249.12756	12.9
250.13446	16.4
251.10655	6.2
251.14374	21.1
260.11859	25.2
263.10727	3.2
263.14322	3.6
265.15891	38.8
269.15256	4.7
275.14221	23.1
281.15167	5.7
283.16824	7.4
293.15332	100.0
311.16425	63.2
335.16403	4.0
353.17490	45.6
371.18506	40.7
413.19513	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36783	4.9
54.05138	4.8
69.24657	5.8
71.65301	6.0
79.05479	6.0
91.05508	11.1
93.07046	6.2
105.07015	44.4
107.08662	5.7
108.75600	5.6
109.06544	6.4
119.08614	14.3
121.06547	25.1
123.08059	9.6
131.08545	72.1
133.06506	12.4
133.10153	8.3
143.08571	31.4
145.10146	12.1
147.08038	8.4
149.09648	6.5
151.07518	7.3
157.10170	6.6
159.08119	45.7
161.09619	60.4
166.07744	6.5
167.08531	7.2
171.08150	6.6
173.09659	22.5
173.58122	5.9
181.10074	18.8
185.09697	10.2
193.10103	9.9
195.11731	27.0
197.09674	10.1
207.11687	7.3
209.09613	8.8
209.13266	11.6
211.11255	11.6
216.17416	7.5
221.13391	10.3
223.11261	23.1
223.14796	14.0
232.12483	8.5
235.14803	6.4
236.12051	7.4
237.12741	9.2
237.16309	11.4
241.12460	6.8
247.14868	13.3
249.12776	9.4
250.13657	10.8
251.14333	10.4
263.14505	13.7
265.15781	50.4
267.13855	6.8
269.29187	5.7
275.14337	12.9
281.15430	38.1
284.17224	6.1
293.15274	100.0
311.16473	58.1
341.17450	6.4
341.28699	5.6
353.17535	25.5
371.18491	91.8
413.19598	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
54.88741	0.4
56.97218	0.4
60.38745	0.4
81.07051	0.8
83.15792	0.5
98.68153	0.5
114.09229	0.6
151.82010	0.4
153.12720	0.7
203.05247	2.1
233.15060	0.5
383.20413	14.3
395.20367	2.4
413.21426	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	413.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98021	0.4
57.56434	0.4
61.91373	0.4
69.03421	0.9
81.07057	0.6
85.62865	0.5
92.17904	0.5
93.07054	0.6
95.08566	0.5
98.79108	0.4
99.27688	0.4
135.08098	0.6
138.06277	0.5
166.78893	0.4
187.15088	0.4
203.05238	4.9
233.15129	0.8
251.16357	2.0
251.62183	0.5
368.63409	0.5
378.12912	0.6
392.07236	0.5
413.21445	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	413.2171
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
55.75667	1.0
57.66570	1.1
61.02922	1.4
67.05505	1.1
69.03447	11.2
69.07072	3.0
73.02919	2.2
79.05526	1.4
80.14413	1.1
81.03423	12.8
81.07041	1.8
83.04983	1.4
84.44220	1.2
85.02910	26.1
87.04479	2.9
91.36678	1.1
93.07049	2.0
95.04955	11.6
95.08583	2.7
97.02904	8.3
98.99316	1.3
99.04446	2.4
105.07058	2.2
107.08588	2.9
109.02866	3.1
109.06529	1.8
109.10145	1.8
119.08582	2.6
121.10157	4.8
123.08083	1.3
127.03906	10.3
131.08595	1.3
133.10132	6.9
135.08028	2.7
135.11627	2.2
137.05991	1.4
137.09645	1.3
143.08604	1.4
145.06479	2.4
145.10152	7.9
147.08025	5.0
147.11583	1.7
157.10173	1.5
159.08011	2.3
159.11681	4.8
161.09615	3.0
173.09703	1.8
173.13290	2.3
175.11108	1.5
175.93254	1.3
187.14795	6.9
189.12779	1.4
191.14397	1.4
205.15923	1.5
215.14275	17.5
233.15370	12.7
245.08571	1.1
251.12563	2.8
251.16519	8.0
413.21750	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	413.217
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
51.95671	0.8
57.03418	4.4
59.19398	0.8
59.51361	0.9
61.02919	5.8
63.21019	1.1
67.09019	1.0
69.03431	13.4
71.04979	2.0
73.02908	5.7
75.89824	1.0
81.03414	4.3
81.07038	7.9
85.02906	27.6
87.04457	7.8
91.03934	1.7
93.07018	1.5
95.08600	5.9
97.02885	11.1
99.04445	4.2
105.07019	1.4
107.08559	1.8
109.02834	2.1
109.06506	2.1
109.10146	1.3
119.08598	9.5
121.06499	1.2
121.10097	1.6
127.03879	6.7
131.08519	1.4
133.10136	4.3
137.05963	10.2
145.04947	2.2
145.10097	6.2
147.11676	7.2
149.13237	1.3
151.07544	8.0
161.13237	1.5
163.07533	4.3
165.09100	2.0
175.14807	4.6
177.09093	4.0
187.14874	7.4
191.10611	1.4
205.15828	2.3
215.14384	2.2
233.12953	1.0
233.15363	8.0
251.16391	39.6
293.17456	1.5
413.21695	100.0
429.65143	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	413.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46347	3.2
54.07547	2.5
56.44654	2.7
58.73138	2.8
59.17759	2.7
61.55193	3.0
61.80135	2.6
81.07037	5.3
83.08589	3.0
91.05482	6.0
92.18575	5.5
93.07047	4.8
95.08595	7.4
103.05462	18.4
105.07008	5.0
107.05027	3.4
107.08587	4.9
109.10158	4.3
119.08537	5.6
131.04926	100.0
133.10155	3.8
134.64413	2.8
145.10121	3.9
155.08569	4.3
159.11687	5.1
163.52789	3.1
169.10155	11.5
173.13264	3.6
181.10124	12.0
195.11667	6.4
197.13364	3.2
209.13330	6.0
221.13184	3.8
223.14796	4.1
234.49292	3.4
265.19519	24.9
267.17377	12.9
336.97583	3.1
413.24969	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3049
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
55.05511	2.2
58.33345	1.1
58.66123	1.1
58.93222	1.3
66.55554	1.1
67.05483	7.2
69.07069	13.2
73.81840	1.2
79.05489	3.1
80.37051	1.4
81.07053	15.6
83.08594	1.8
85.24174	1.2
91.05484	2.8
93.07043	13.6
95.04962	2.5
95.08598	18.4
97.10156	1.4
105.07014	8.9
107.08581	13.1
109.10147	32.4
111.11734	1.5
119.08547	9.0
121.06471	2.6
121.10123	13.0
123.11704	1.5
131.08566	6.1
133.10098	10.0
135.08008	1.6
135.11661	7.5
137.05978	1.6
143.08537	2.1
145.10146	9.8
147.08005	3.0
147.11678	8.4
149.13228	1.6
151.14790	2.9
157.10129	5.6
159.11687	7.7
161.09599	2.7
161.13234	5.7
163.14767	2.7
171.11705	2.8
173.09619	5.2
173.13289	5.6
175.14792	1.6
177.16373	6.8
183.11719	2.0
187.14828	6.7
189.09058	2.5
189.16353	2.2
191.10698	3.3
195.11646	1.7
197.13205	1.8
199.14790	2.0
201.12744	2.0
201.16391	2.0
203.17932	3.2
209.11729	1.7
213.12741	3.2
213.16354	1.8
215.17966	1.5
227.14284	2.2
231.13890	10.3
249.14763	11.8
255.26103	1.3
257.22592	2.8
259.16522	1.3
267.17438	1.6
285.18527	3.0
357.24057	1.5
377.28333	5.4
395.29428	16.7
413.22342	9.8
413.30469	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	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91912	1.0
55.05521	18.2
57.03425	7.6
57.07083	21.0
57.41036	1.6
58.79306	1.3
67.05496	7.6
69.07069	30.1
69.43568	1.5
71.08633	13.9
72.86698	1.3
79.05479	1.4
81.07047	14.8
83.08625	23.7
85.10152	5.6
91.05464	1.2
92.18421	2.3
93.07023	6.8
95.08575	13.4
97.06517	2.6
97.10173	15.0
107.08585	7.5
109.10139	7.0
111.08103	2.7
111.11709	2.3
121.10118	8.4
123.11588	1.9
133.10170	1.4
135.11682	5.4
161.13223	1.6
235.52557	1.4
321.31424	5.7
395.35068	9.3
413.36261	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	414.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44575	1.3
57.03416	2.1
69.03427	12.3
71.04974	1.4
73.02899	6.4
75.14342	1.3
77.64430	1.3
78.03454	8.6
81.03423	18.2
82.10436	1.3
85.02907	13.7
85.06532	1.3
97.02859	9.7
99.04455	6.8
100.38638	1.5
103.07577	5.0
106.02916	73.3
109.02883	16.0
111.04429	30.1
115.03906	1.9
124.03946	100.0
127.03891	10.3
129.05453	5.9
130.88135	1.4
136.06213	2.2
177.09138	1.4
183.88220	1.3
203.64642	1.4
250.07031	14.9
252.15854	4.9
268.08163	32.2
286.09167	2.2
288.37613	1.3
396.12851	72.2
408.74182	1.4
414.13516	13.3
414.21027	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24535	2.1
57.03436	15.0
59.04998	2.6
69.03429	71.0
70.18739	2.3
73.57590	2.4
81.03403	3.9
85.02900	100.0
87.04468	72.9
97.02888	76.4
99.04427	4.7
109.02869	4.4
115.03918	90.0
116.33356	2.6
120.76020	2.7
127.03913	22.8
130.25897	2.3
133.04956	86.7
134.39577	2.4
145.04945	35.7
150.07613	12.1
163.06020	16.2
186.60083	2.6
203.03471	6.1
259.08115	12.2
265.16428	4.8
277.09274	2.8
295.10199	13.8
397.58588	3.0
414.11917	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	CHEBI:83244
Peak:m/z	Relative Intensity
51.31557	1.7
52.27099	1.7
55.05522	14.1
57.07077	15.4
69.07073	32.3
70.53948	1.8
71.08620	11.1
81.07066	4.3
83.08628	25.6
85.10159	2.9
88.63294	2.1
95.08591	4.2
97.10168	27.4
102.05552	14.7
102.40738	1.8
104.07104	100.0
109.76893	2.0
111.11724	10.6
195.51720	2.3
218.00012	2.2
282.33051	2.4
293.28445	5.0
396.34598	35.6
398.57559	2.1
414.35611	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	414.9536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42152	1.2
75.27223	1.3
91.28493	1.1
97.02909	1.9
98.97573	54.8
116.98602	21.9
134.99649	2.7
136.24641	1.3
165.54535	1.2
214.95389	5.2
227.51187	1.2
232.96445	7.3
256.96390	34.8
274.97473	100.0
292.98511	31.0
297.99344	1.8
414.95316	13.7
432.96246	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	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68649	1.2
56.96558	2.5
62.45139	1.1
63.73780	1.1
65.15574	1.1
74.09703	7.6
78.87936	1.3
91.29163	1.5
92.18474	1.6
98.96931	2.6
98.97577	68.2
104.10757	1.4
116.98621	19.5
129.92976	1.4
134.99657	1.9
146.25745	1.4
152.55350	1.4
156.04204	7.5
161.01260	1.5
171.94278	1.4
179.02310	5.7
214.95361	3.2
216.05373	27.2
221.03180	4.2
232.96472	8.5
234.06444	5.9
256.96426	44.9
274.97501	100.0
292.98578	35.3
331.31091	1.5
355.01495	1.9
363.61420	1.6
371.77127	1.6
374.04507	11.8
414.95392	18.1
415.11389	1.7
432.96460	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	415.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36098	0.5
60.22503	0.5
67.76799	0.5
69.03400	1.3
70.06578	1.1
81.03403	1.0
83.99849	0.7
84.08138	0.9
85.02906	2.5
85.06551	0.7
86.09705	0.8
97.02879	1.1
122.07053	0.8
124.03960	0.7
127.03931	1.3
131.04881	0.8
132.95792	3.2
137.05966	100.0
138.17235	0.7
144.95810	1.1
158.97377	10.5
163.07495	2.6
168.95767	1.1
170.97307	1.3
174.96864	0.9
176.98430	0.7
179.11534	0.6
181.08629	0.7
186.96878	2.9
192.99449	6.3
194.97389	4.0
198.96867	1.4
208.98958	9.6
212.98488	1.2
216.97890	8.4
223.00504	3.1
234.07504	0.7
234.98936	27.9
235.01115	1.3
235.97482	0.7
237.02290	0.7
237.99269	1.5
249.99147	0.7
251.00027	5.2
253.01628	7.8
255.66827	0.7
263.00000	4.3
264.00900	0.9
265.01764	0.8
271.02612	4.9
277.01477	1.0
295.02634	4.8
313.03586	0.9
316.00278	3.2
325.03720	3.5
349.03564	0.8
352.02298	0.8
353.03186	3.4
367.04498	0.9
397.05753	9.0
415.06781	74.7
415.21466	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	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30072	1.7
70.05825	1.6
75.11038	1.9
90.63821	1.6
98.72490	1.5
98.97593	3.9
110.38189	2.0
137.05995	29.7
185.71191	1.8
200.05190	4.2
219.01611	2.0
227.06816	2.7
234.99010	7.5
251.77718	1.7
318.07870	3.6
415.10345	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	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06384	1.5
58.99265	2.0
62.86852	1.6
72.48802	2.2
90.41686	1.9
98.97599	2.2
117.30494	2.1
126.28725	1.9
130.20851	2.0
167.30894	1.8
174.99069	4.6
193.00221	3.4
213.38499	1.9
214.12343	2.0
231.11156	1.9
236.06529	2.2
267.79355	2.1
279.07565	3.6
295.03278	2.6
299.45938	2.2
318.10736	3.2
325.04285	2.5
397.10486	3.5
415.10028	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06562	2.5
84.04475	2.2
85.02914	4.0
101.05992	3.1
101.07101	2.8
123.04427	2.2
125.07131	3.0
127.03872	2.5
132.36873	2.2
137.05952	3.5
139.83783	1.7
147.04431	2.6
148.13982	1.8
183.95273	2.0
191.95477	1.9
197.75703	2.0
220.91850	2.3
246.07617	4.4
263.10263	4.1
391.05661	2.1
415.10016	100.0
415.14731	6.2
415.21405	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33427	0.7
53.54121	0.9
55.51756	0.8
56.57257	0.8
62.33707	1.0
69.03425	1.5
84.08117	1.6
85.02891	2.3
85.80464	0.9
97.02916	1.4
98.97565	2.3
104.64049	0.9
109.02915	1.4
113.03458	1.9
126.35060	1.1
130.00963	1.0
136.06210	6.5
158.99710	1.5
174.99109	1.4
184.97197	1.0
189.00769	1.5
193.00180	2.2
193.52423	1.2
219.01729	1.6
230.07202	1.3
251.04263	1.5
279.07672	1.2
293.07037	4.0
302.08545	1.1
318.10770	1.1
415.09970	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	415.1024
Annotation	Prodelphinidin B6
Peak:m/z	Relative Intensity
59.48350	1.3
68.99783	3.5
70.06583	1.8
75.72998	1.2
76.53230	1.6
86.09684	2.0
90.34579	1.4
101.22437	1.3
101.55956	1.3
106.06539	1.9
111.00806	10.4
119.02314	1.3
123.03546	3.0
123.04417	61.3
127.03915	100.0
135.04416	21.7
136.06180	2.5
137.02328	6.0
138.76192	1.3
139.03896	6.9
149.02327	12.2
151.03914	2.3
159.04416	1.7
161.05978	2.2
163.03879	40.2
165.05473	2.1
166.60042	1.4
167.03387	2.1
177.05399	16.2
179.03371	14.5
187.03868	5.5
191.03339	11.2
201.05400	2.7
203.03413	6.5
205.04852	2.0
217.05089	2.1
219.13805	1.6
229.04872	3.2
233.04465	2.3
243.06636	5.6
245.04442	20.0
247.06030	19.1
253.04839	2.0
259.06091	2.5
263.05511	16.1
271.05981	17.6
275.05472	20.8
287.05457	10.9
289.07095	28.7
397.08932	12.6
415.10721	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	415.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11993	1.3
55.70271	1.6
57.27967	1.2
65.80052	1.4
67.05466	1.4
69.03410	1.9
87.65775	1.6
90.67548	2.1
92.18447	4.0
92.41440	1.5
101.58086	1.4
101.66737	1.6
105.07047	1.7
109.03072	1.5
141.07004	3.0
143.08511	1.8
147.08022	1.9
155.08546	8.3
159.08015	3.1
166.07741	2.3
167.08543	2.0
169.10187	6.5
171.08096	2.6
173.09621	3.2
179.08499	3.1
180.09335	2.1
181.10109	8.3
182.10896	2.4
183.08054	4.2
183.11728	2.8
184.08868	1.9
192.09315	11.1
193.10133	2.8
195.08003	3.7
195.11664	3.4
196.08871	6.8
197.09578	6.9
197.13258	3.9
198.10342	2.8
199.07632	1.9
199.11163	11.4
201.09248	1.6
206.11020	2.2
207.11627	19.8
208.08746	2.7
209.09608	8.6
210.10393	10.7
211.11142	32.7
220.08881	10.2
223.11188	21.9
225.12709	26.7
227.10625	9.1
235.11121	18.1
238.09924	3.5
241.12193	1.9
253.12128	23.3
271.13327	8.5
295.13467	3.2
295.16766	3.2
313.14337	9.6
313.18011	2.8
354.02859	1.8
373.16412	100.0
374.16769	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	415.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	27.1
56.28643	3.1
57.03432	15.3
57.37884	3.1
59.04726	3.6
59.05003	81.6
68.52893	3.3
69.03431	51.0
71.04983	9.6
73.02914	4.5
76.51823	3.6
81.03400	24.5
83.04977	69.5
85.02905	68.5
85.06541	6.0
87.04478	3.9
89.06033	55.7
97.02888	58.1
99.04440	24.5
101.06008	100.0
103.07594	35.4
109.02885	41.4
111.08015	3.8
116.98684	4.3
117.05508	27.4
119.07063	39.1
121.02878	4.2
122.61056	4.4
127.03903	61.0
135.06471	12.9
137.05922	30.1
145.04936	27.3
153.07605	6.3
163.07451	3.8
170.06184	3.8
187.05991	7.9
209.08052	4.3
216.98012	4.7
227.06949	7.1
227.09177	15.6
234.99017	6.8
245.10258	44.1
248.80577	4.0
263.11252	8.5
312.39133	4.4
321.11874	29.8
366.52826	4.3
378.35330	4.1
378.41232	4.1
379.16092	7.3
415.10031	22.2
415.17212	9.0
415.22025	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	415.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66601	4.1
55.05508	33.2
56.20293	4.6
57.03436	5.2
59.05003	96.0
69.03426	58.5
70.06542	3.9
71.04984	9.4
72.36611	4.4
77.15631	4.6
79.01370	3.8
81.03407	26.4
83.04980	75.8
85.02901	75.4
87.04481	7.8
89.06017	65.5
97.02877	47.0
99.04436	26.0
101.06005	100.0
103.07575	30.4
109.02866	32.0
117.05473	8.9
119.07037	30.9
121.14943	4.4
127.03907	55.5
135.06514	10.0
145.04956	30.8
147.04372	10.1
153.07559	6.3
166.48500	4.8
173.34113	4.2
198.04634	6.5
218.06281	5.5
227.06744	22.5
227.08963	8.7
236.14758	6.0
245.10228	36.3
262.00977	5.2
263.11197	24.2
321.11838	23.8
345.73657	4.9
379.15976	18.8
397.17380	6.4
415.09869	95.0
415.21722	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	415.2115
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
55.05503	4.3
67.05516	2.9
69.03419	4.6
69.07050	3.6
79.05501	5.3
81.03394	4.0
81.07109	3.8
88.35267	2.8
89.96921	2.6
91.05486	5.8
93.07026	12.3
95.04968	5.1
95.08586	4.3
105.07039	21.0
107.08548	23.2
108.84303	2.9
109.06516	11.3
109.10139	6.0
117.06993	7.3
119.08593	22.1
121.06503	60.5
121.10131	12.6
123.08039	4.6
129.07011	3.3
131.08549	6.6
133.06474	19.6
133.10129	12.4
135.07083	4.3
135.08060	100.0
137.09642	5.2
143.08537	7.4
145.06458	5.4
145.10106	5.6
147.08064	13.7
147.27400	3.6
149.06036	4.0
149.09648	12.0
155.08585	6.4
157.10139	6.3
159.08046	36.9
159.11649	6.5
161.09647	27.1
163.03922	19.7
163.07574	4.4
167.08537	13.6
169.10133	25.9
171.08073	5.8
171.11703	6.2
173.09608	16.9
175.07588	3.9
175.11162	6.8
177.09074	4.2
179.08521	5.3
181.10156	4.4
183.07918	4.2
183.11658	19.4
185.09613	13.5
187.11227	5.4
192.09294	3.2
193.10202	21.9
193.11877	3.0
195.11742	7.2
197.09666	18.6
197.13174	6.1
199.11256	6.1
201.09171	12.8
201.12856	3.4
201.78418	2.9
205.04962	18.8
206.05269	18.1
206.10899	5.4
207.11763	23.8
209.09775	4.5
209.13200	6.7
211.11169	30.6
213.12717	4.1
219.11646	4.5
220.12553	3.9
221.13289	4.6
223.11201	5.2
225.12759	29.2
225.16307	7.3
227.10680	7.0
229.15771	3.1
234.14082	6.6
235.11105	5.4
235.14835	7.3
237.12654	4.7
239.10596	5.9
239.14401	3.9
239.17876	5.7
248.12097	3.5
249.16348	21.7
251.14294	4.5
253.12204	17.0
253.15826	18.0
262.13477	7.4
267.17386	34.2
270.12469	3.7
271.13379	6.5
277.15915	36.1
285.18539	7.1
295.16937	80.1
313.14697	5.5
313.18027	71.2
331.19043	15.7
355.19055	25.7
373.20087	72.4
415.15829	25.6
415.21286	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
57.03432	2.8
57.28379	3.2
58.48875	3.0
65.15289	3.5
69.07066	5.1
72.19556	3.9
74.35532	3.1
79.05486	5.9
79.95330	4.0
81.03433	4.3
81.07048	6.8
85.02881	3.5
89.83133	4.0
90.57078	3.8
91.05439	8.4
93.07017	7.2
95.04949	4.5
100.62342	3.1
105.07041	38.9
107.08578	19.4
109.06490	4.9
109.10074	3.8
111.66293	3.5
117.07004	5.5
119.08557	19.3
121.06458	7.8
121.10105	5.5
123.08095	5.0
125.05930	3.9
129.07002	5.9
131.08553	23.9
133.06494	14.8
133.10147	13.6
135.08047	31.1
137.05971	60.8
137.09579	6.6
141.06998	6.9
143.08563	15.9
145.06465	3.9
145.10133	17.7
147.08012	5.0
148.07796	3.6
149.06003	4.1
149.09625	4.0
151.07573	7.9
155.08554	15.9
156.09348	4.8
157.06467	5.7
157.10080	14.3
159.07991	29.4
159.11731	3.9
160.76236	3.9
161.05911	7.2
161.09569	8.2
163.07503	4.5
165.06966	3.9
169.10110	19.6
171.07932	4.1
173.09589	7.7
174.06747	8.0
177.09093	28.3
178.07794	3.9
181.10100	7.6
182.07401	4.5
183.11638	24.7
185.09636	8.3
187.07536	8.5
187.11116	5.4
189.09093	28.4
191.07028	4.3
192.09402	6.3
193.10136	4.6
194.10895	3.5
195.11748	4.8
197.09645	23.3
197.13292	16.1
198.06796	4.5
199.11246	6.7
201.09103	16.1
207.11690	18.0
209.09715	4.2
209.13219	5.4
211.07523	3.9
211.11180	19.1
213.09018	27.2
215.10582	5.1
219.10075	21.8
220.12341	4.5
221.13223	5.9
223.11093	5.6
225.09122	14.5
225.12724	25.7
228.07893	4.3
234.14047	5.9
237.12582	6.1
243.10136	24.2
249.16313	6.5
253.12206	17.2
255.10063	6.6
262.13455	5.2
267.17465	24.0
273.11194	54.6
277.15814	15.6
285.18378	3.8
295.16907	52.5
313.17990	28.2
355.19049	14.8
373.20084	6.1
397.16437	100.0
414.52420	4.1
415.16849	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	415.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.6
55.05524	2.7
55.71685	1.8
58.69318	2.2
65.47614	1.8
67.05477	1.9
69.03425	3.3
69.07058	3.7
79.05501	60.0
81.07058	14.1
83.04977	9.2
91.05458	13.4
93.07031	10.5
95.04968	10.2
95.08627	5.1
97.06519	21.6
100.27818	2.4
105.07043	17.5
107.04954	44.8
107.08602	14.0
109.06548	2.3
109.10100	3.0
111.04465	31.6
117.06992	3.7
119.08594	11.0
121.06506	2.1
121.10156	11.9
123.08064	10.9
123.11715	3.1
125.06012	17.7
131.08549	5.5
133.06499	4.6
133.10129	9.1
135.04436	29.0
135.08055	8.4
135.11740	2.6
137.09628	9.0
143.08551	4.3
145.10103	4.5
147.08075	3.6
149.09608	23.5
149.13214	3.7
151.07510	3.1
151.11174	3.7
153.05435	21.2
155.08565	2.9
157.10089	5.3
159.08003	3.5
159.11702	16.2
161.09529	3.1
163.11124	4.0
169.10110	3.9
171.11708	4.7
173.09595	8.9
173.13326	2.2
175.11133	3.3
176.33609	2.2
177.12794	9.9
179.10640	2.6
183.11755	3.0
187.11253	2.9
189.09172	2.5
189.12856	2.5
191.10707	13.9
191.72719	2.1
197.09586	4.4
197.13286	3.7
199.11221	3.7
205.12250	3.3
206.15163	2.5
207.10075	2.6
211.11151	8.5
217.12300	2.7
219.13773	5.3
221.15417	4.8
226.78137	2.3
237.12682	3.4
247.13329	3.5
267.17447	9.4
277.15988	3.9
285.18338	2.3
295.16815	16.7
313.18015	28.5
355.18988	57.8
373.20108	14.1
415.21164	100.0
415.31750	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	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84850	5.3
61.29962	5.6
67.05512	6.5
67.22355	5.8
69.04550	6.6
69.07059	11.4
79.05481	6.5
81.27215	6.1
91.05455	7.7
92.19749	6.1
97.06533	8.5
105.07045	24.5
107.08603	23.6
112.83640	6.0
115.05428	6.4
119.08608	10.8
121.10124	11.6
123.08063	7.6
133.06509	9.0
133.10094	9.3
135.08122	7.1
143.08582	13.7
145.06488	13.7
145.10124	8.9
147.08040	24.3
149.05981	7.4
149.09619	9.6
155.08569	22.5
159.08076	9.5
161.09616	13.3
161.52194	6.1
169.06447	7.7
169.10097	30.6
171.08119	7.2
171.11752	8.0
173.09631	11.4
178.91951	6.3
181.10194	11.6
183.07936	6.6
183.11745	24.7
187.11102	7.3
195.11765	10.5
197.09723	22.6
197.13277	13.0
199.11121	14.0
207.09782	7.2
207.11726	27.1
209.09633	9.6
209.13284	10.9
210.10384	5.9
211.11180	27.9
215.10677	6.8
218.35954	6.0
225.12755	14.7
234.14139	10.6
235.14931	8.2
237.12744	12.9
239.17876	7.6
251.14125	10.2
253.12389	7.5
257.04507	72.1
266.39053	6.7
267.17371	42.8
277.15851	24.5
295.16974	95.8
310.33652	7.6
313.18066	25.0
353.14044	6.5
355.19025	26.5
397.16409	8.8
407.22153	6.5
415.10104	63.4
415.21521	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	415.2115
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
53.23787	4.5
55.49039	4.6
63.94980	4.9
69.03435	9.2
69.07068	13.3
69.56521	5.3
79.57393	5.7
81.03400	31.4
81.07024	8.0
81.99449	6.7
83.04958	9.2
93.07027	11.4
95.04951	7.8
97.06520	14.3
105.07017	8.8
107.08608	11.4
109.06534	10.1
109.10116	6.2
119.08580	27.9
121.06533	9.6
121.10126	8.2
123.08047	12.0
129.06981	9.5
131.08498	19.4
133.06488	12.9
133.10150	9.3
135.08067	10.5
137.09579	11.0
141.06958	8.7
143.08543	41.3
145.10098	21.9
147.11732	7.1
155.08585	27.5
157.10124	28.3
159.08063	13.7
159.11661	12.3
161.09624	22.3
163.11217	5.7
167.08511	10.5
169.10081	36.9
171.08026	53.1
171.11630	10.9
173.08380	5.5
173.09576	49.3
175.11197	10.4
177.09013	7.9
181.10104	29.9
183.11664	43.4
185.09613	32.6
187.11200	26.1
193.10080	27.9
195.11703	34.7
197.09625	34.7
197.13283	28.7
199.11223	23.5
201.12596	7.9
207.11626	24.0
209.09682	22.3
209.13232	10.9
210.10521	11.3
211.11211	36.2
211.14879	12.0
213.12602	11.0
215.10741	6.9
215.14328	10.2
217.12155	9.3
219.11620	9.5
223.11156	22.4
223.14804	11.4
224.11971	8.1
224.15509	6.6
225.12733	43.9
225.16403	8.6
227.14244	11.2
234.10335	7.3
234.13986	13.8
235.11198	8.1
235.14644	7.5
236.11942	11.9
237.12711	13.1
239.14096	6.8
239.18016	10.0
241.15781	11.6
247.11214	9.3
249.16321	35.3
251.14377	9.5
253.12172	12.1
253.15797	28.5
262.13266	8.7
265.15729	11.1
267.17407	49.4
269.15366	25.9
277.15921	37.6
283.16977	10.1
285.18509	10.0
295.16818	80.1
313.17972	90.5
331.19016	9.2
355.18896	32.6
373.20065	57.1
415.21121	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	415.2112
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
55.05515	2.6
67.05490	2.4
69.03420	2.8
69.07037	1.6
69.75331	1.7
77.03930	2.0
79.05049	2.7
79.05491	67.6
81.07043	6.9
83.04969	8.4
85.02878	1.7
91.05454	10.5
93.07027	4.0
95.04974	11.4
95.08596	8.7
97.06535	19.4
102.10436	1.6
105.04475	1.9
105.07026	18.2
107.04275	2.6
107.04958	50.9
107.08566	12.6
109.06496	3.8
109.10170	2.5
111.03814	2.0
111.04430	28.6
117.07004	3.7
119.08553	11.0
121.06478	3.9
121.10111	9.8
123.04465	1.7
123.08059	10.5
123.11672	2.0
125.05967	16.9
131.08559	6.3
133.06509	4.1
133.10110	6.8
135.04407	28.4
135.08070	6.6
135.11642	2.2
143.08569	7.8
145.10094	4.1
147.08046	2.2
149.09627	31.9
151.07591	2.3
151.11180	9.9
153.05443	21.4
155.08540	3.1
157.10123	3.4
159.08029	2.9
159.11656	16.1
161.09584	9.5
161.13234	2.1
163.11159	6.9
169.10106	3.1
171.08017	1.8
171.11685	3.0
173.09624	3.4
173.13277	2.0
177.09055	1.8
177.12750	14.0
179.10680	3.2
181.10117	3.9
183.11662	3.0
187.11188	2.5
189.09010	2.1
189.12720	2.1
191.10690	14.3
192.11430	2.2
197.09567	2.1
197.13394	2.6
199.11147	4.1
201.12665	3.7
205.12242	7.3
207.10069	2.0
207.11830	2.1
211.11115	2.7
213.12679	3.2
219.13678	2.8
221.15344	3.6
223.11308	2.4
225.12834	2.6
247.13272	6.5
267.17468	3.3
271.17047	2.5
277.15909	2.2
295.16931	12.8
313.17914	24.0
318.14032	1.5
324.29224	1.6
355.18939	66.4
373.20117	13.7
409.54456	1.7
415.21100	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	415.2115
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
52.83115	0.2
56.08512	0.2
61.74698	0.2
63.93153	0.2
67.05482	0.3
68.85882	0.3
69.03398	0.3
71.21461	0.2
75.57619	0.3
79.05481	0.5
91.05477	3.6
93.07050	0.4
95.08595	0.3
95.43027	0.3
105.07024	0.4
107.08612	0.6
113.40611	0.3
114.64803	0.3
117.07014	1.2
119.08574	100.0
121.10112	0.4
133.06485	1.7
133.10133	0.4
134.28816	0.3
135.08064	1.4
161.09705	0.4
183.11655	0.3
190.36688	0.3
194.10860	0.4
197.61992	0.3
205.35161	0.3
215.20779	0.3
249.16557	0.4
267.17422	0.6
295.16968	0.6
313.17847	0.4
355.18967	0.5
373.20175	0.4
415.20709	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	415.2113
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
52.82143	4.6
55.05513	22.6
67.05489	9.2
73.11359	5.7
79.05499	43.6
81.07025	9.0
83.04981	39.5
91.05443	11.4
93.07061	8.2
95.04924	6.2
97.06500	8.8
105.07003	12.0
107.04967	35.6
107.08612	25.8
111.04457	40.6
117.07003	10.1
119.08572	23.7
121.06531	6.6
123.08064	20.0
123.41833	6.1
125.05962	7.6
133.06525	7.2
133.10139	9.3
135.04434	21.5
135.08069	10.4
143.08536	20.2
145.10114	10.7
149.09634	26.3
151.11128	6.0
153.05516	44.3
155.08556	6.6
156.09308	8.0
157.10086	8.5
159.11693	29.6
161.09622	12.0
163.07457	6.6
163.11208	10.7
171.11717	22.9
173.09500	6.0
177.12727	19.6
183.11664	7.0
185.09633	7.3
185.13225	7.1
187.11153	10.1
190.29749	5.6
195.11697	6.6
199.11247	6.8
205.12247	92.8
207.11818	6.5
213.12729	6.0
217.12198	7.0
241.12305	10.6
267.17535	24.9
289.24677	5.8
295.16983	36.5
313.17999	73.7
331.19186	6.7
355.19061	100.0
373.19958	75.4
415.21127	62.8
415.37466	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	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53660	0.3
63.03115	0.3
68.55992	0.3
72.68105	0.3
81.80881	0.4
86.68041	0.4
91.05478	2.2
91.57685	0.3
105.03400	2.1
107.08571	0.4
117.07034	0.7
119.08575	100.0
133.06512	1.5
134.58565	0.4
135.08089	1.3
144.32530	0.4
152.18233	0.3
160.14993	0.3
184.70160	0.4
186.40186	0.4
374.14655	0.3
393.27179	0.3
415.21176	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	415.2113
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
53.03931	5.4
55.01868	4.8
55.05505	6.1
57.07074	4.9
67.05504	11.2
76.11648	4.3
79.05503	51.8
81.07034	21.4
83.04983	26.5
91.05472	19.8
93.07023	22.6
94.85031	5.1
95.04961	21.6
95.08595	7.8
97.06529	10.5
105.07037	31.0
107.04967	35.6
107.08598	26.0
109.06544	6.7
109.10151	8.7
111.04433	21.1
117.07029	10.3
119.08576	32.4
121.06474	10.5
121.10126	23.1
123.08094	8.9
123.53281	5.4
125.05984	12.3
127.06863	5.6
129.06941	7.3
131.08527	9.2
133.06479	6.7
135.04417	25.0
135.08031	11.4
135.11754	7.2
137.09618	22.1
143.08530	11.5
145.10211	18.0
147.08037	10.6
147.11659	6.1
149.09590	30.9
151.11113	7.1
153.05415	12.2
155.08540	10.4
156.09300	7.8
157.10126	19.8
159.08060	9.5
159.11676	26.7
161.09589	19.2
163.11211	5.7
169.10156	11.2
171.08055	9.8
171.11649	10.1
173.09628	7.0
173.13295	6.0
175.07695	4.9
175.11240	8.4
177.09096	7.4
177.12753	9.9
179.08467	5.9
181.10091	8.4
183.11713	8.8
185.09631	7.0
187.11179	21.4
189.12796	7.6
192.09436	6.7
193.10103	9.4
195.11687	10.4
197.13319	8.1
199.11189	10.9
201.12755	8.8
205.12236	25.2
207.11746	8.8
209.13211	9.8
211.11154	12.0
217.12204	7.7
225.12747	19.4
227.14221	6.8
234.13943	6.2
235.11115	5.0
247.11063	6.8
249.16292	9.7
262.13617	6.8
262.72446	5.9
267.17383	19.7
277.15851	10.6
289.88046	5.7
295.16937	57.3
313.17911	100.0
355.18970	77.0
373.19876	39.5
415.21152	81.3
426.33749	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	415.2117
Annotation	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
Peak:m/z	Relative Intensity
51.80460	3.1
55.94740	3.3
70.98092	4.0
74.38518	3.3
79.05482	4.2
83.42744	3.8
91.05476	4.8
93.07038	8.8
102.25323	3.3
103.38789	3.9
105.07018	17.6
107.08590	19.9
109.10135	5.2
111.70388	3.8
117.07053	5.3
119.08554	7.2
121.06497	57.0
129.87936	3.5
131.08583	16.5
135.08063	100.0
143.08540	7.5
145.10129	6.4
147.08069	7.4
149.09512	4.0
155.08511	4.4
157.10059	5.1
159.08044	45.7
161.09631	7.2
169.10141	6.5
171.07991	7.4
173.09621	21.6
175.74857	3.4
177.09099	5.8
181.10120	6.3
183.11716	7.9
185.09592	8.7
193.10147	6.1
193.12318	5.7
197.09689	3.3
201.09016	4.8
207.11697	7.3
209.13406	3.4
211.11201	7.4
220.12537	6.3
221.13286	7.6
225.12682	5.3
235.11322	4.5
249.16444	20.1
250.00905	3.6
253.12184	14.3
253.15874	3.9
259.14752	4.9
267.17419	7.6
271.16708	3.6
277.15924	34.8
295.16898	50.2
313.17993	39.8
337.17929	6.8
355.18918	6.1
371.77551	3.7
373.20209	25.4
415.16568	4.7
415.21362	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17375	0.4
50.86615	0.5
57.03428	3.1
57.07084	2.4
57.19702	0.6
59.74953	0.6
67.05489	0.6
69.03422	2.4
72.92890	0.5
76.71894	0.5
81.03419	2.3
85.02895	3.8
85.06541	7.1
97.02888	6.2
99.04443	1.2
103.07579	19.5
109.02867	4.0
124.03946	100.0
127.03910	4.0
145.04945	1.3
146.37224	0.6
158.99593	6.4
161.04649	1.0
177.00719	2.7
219.01834	3.3
231.08783	0.6
275.11050	0.7
284.10080	7.8
303.07458	2.7
321.08600	1.2
363.09592	0.8
416.10382	1.3
416.15210	8.0
437.97781	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71188	0.3
63.67269	0.3
69.15925	0.3
80.60717	0.3
85.02889	0.7
175.07515	2.6
203.07150	0.4
219.10147	100.0
222.83714	0.3
227.06961	0.6
237.11255	0.8
259.09720	1.3
279.10342	0.4
357.13287	1.6
375.14227	0.7
400.80270	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	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	10.1
60.18993	1.0
69.03440	1.1
81.03391	2.1
82.35596	1.2
85.02888	6.1
85.06545	11.6
106.06556	27.0
108.07406	2.7
108.08113	64.4
109.02866	4.9
123.06783	4.9
124.07575	12.5
127.03883	2.5
134.06056	12.6
136.07600	12.8
152.05811	2.8
152.07059	85.4
170.08105	21.9
199.16393	1.3
220.57074	1.2
244.24770	1.3
296.11572	1.3
299.90762	1.2
314.12335	1.7
398.18228	4.4
416.19107	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	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03197	0.3
57.03436	4.3
59.84041	0.4
60.02589	0.4
61.31623	0.4
66.46709	0.4
69.03408	0.9
70.49918	0.4
70.73292	0.4
71.04969	0.7
72.08144	0.5
73.02883	0.5
81.03400	0.5
81.18267	0.4
85.02853	2.5
85.06547	3.6
87.04433	0.5
91.03927	0.4
91.05482	0.6
97.02859	1.8
106.02890	1.5
108.08100	3.3
112.29031	0.4
120.08039	0.4
124.03930	1.5
131.04919	0.5
132.01747	0.5
134.09660	0.5
136.07594	0.7
137.05959	0.6
139.23007	0.4
152.07037	1.7
164.07034	2.0
172.84706	0.5
188.68817	0.4
192.13826	100.0
207.12521	0.9
208.13333	2.3
218.11734	2.8
220.13260	1.7
236.12796	32.0
238.14368	0.5
254.13857	1.7
354.44012	0.5
398.18005	10.2
411.80997	0.5
416.19250	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24300	0.7
97.02894	1.2
109.02879	1.1
113.03429	0.9
156.97488	5.0
164.97997	0.8
169.22153	0.6
174.98572	3.3
180.97511	3.0
182.98994	8.9
185.08148	0.7
194.99063	6.3
196.97046	0.8
198.98515	9.2
201.00089	2.8
204.97430	1.0
206.99117	0.8
213.00096	37.3
213.02136	1.5
221.05235	0.7
222.98483	5.5
225.00078	1.0
231.01233	2.9
240.99579	4.5
246.98473	0.9
270.03790	0.9
283.00650	2.9
301.01688	100.0
301.53415	0.7
319.02707	2.6
357.04306	71.7
375.05460	3.0
376.06110	1.2
398.06772	0.9
417.06326	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	417.1179
Annotation	Puerarin
Peak:m/z	Relative Intensity
55.24294	1.1
63.83575	1.0
69.50198	1.0
80.86367	0.9
105.03398	4.9
124.15737	1.0
133.53789	1.0
136.34610	0.9
143.65474	1.0
151.66373	1.0
163.99684	0.9
217.05023	2.1
243.02870	4.2
261.03897	1.3
267.06491	61.0
268.07333	7.3
279.06516	6.5
281.08194	9.5
293.08075	1.6
295.06171	2.0
297.07565	82.8
307.06226	2.1
307.09570	21.9
309.07520	5.3
311.09238	2.3
321.07446	18.7
327.08600	2.1
335.09076	4.8
339.08505	1.2
351.08701	10.1
363.08609	7.4
381.09659	14.9
399.10776	19.1
417.11783	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	417.1178
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.01384	0.9
57.01700	0.7
63.59959	1.0
82.32748	0.9
85.02895	1.3
86.60094	1.0
105.03392	1.3
237.12701	1.8
251.07039	4.8
255.06520	6.4
265.08493	4.7
267.06482	100.0
279.06500	10.0
279.09674	1.6
281.08084	2.0
289.08603	1.1
291.06400	1.0
292.07394	1.1
293.04465	3.7
293.07956	24.4
297.07538	80.8
305.08102	1.4
307.09622	18.9
317.08109	5.2
321.07538	34.4
333.07571	13.3
335.09146	1.7
345.07486	9.2
351.08548	23.3
363.08594	18.6
381.09665	13.8
399.10690	19.1
417.11810	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	417.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11433	0.8
51.18125	0.6
53.03940	3.7
69.03136	0.6
69.03436	8.2
71.05000	0.7
78.03465	7.7
81.03420	23.2
81.09948	0.7
84.72444	0.8
85.02924	7.4
89.95456	0.8
95.04948	1.2
97.02891	6.1
99.04439	4.4
106.02916	76.9
109.02875	17.5
123.04420	10.6
124.03946	100.0
127.03889	4.8
132.04448	17.3
196.06129	0.9
241.57867	0.8
250.07076	20.9
268.08145	51.6
286.09232	1.9
364.74506	0.9
417.12885	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50767	0.3
67.60165	0.4
69.03434	1.5
76.83518	0.4
78.03450	1.4
79.58201	0.4
80.05003	1.8
81.03418	0.7
85.02905	2.2
95.04915	0.7
96.04474	0.5
97.02897	3.4
99.04443	0.6
106.02914	11.4
123.04428	4.6
124.03951	100.0
127.03920	1.5
132.04466	4.2
219.02888	0.7
250.07161	0.7
268.08145	11.5
286.09286	0.5
328.53006	0.4
417.12906	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
55.01862	0.4
57.27670	0.6
69.41035	0.5
76.02840	0.5
77.03931	1.0
95.04974	8.5
105.03395	100.0
105.04517	3.2
107.04951	2.0
132.52507	0.5
153.07025	2.2
155.08607	0.6
165.07001	1.2
166.07805	0.7
167.08528	0.5
178.07729	6.0
179.08574	2.6
180.09308	0.9
181.10114	3.7
182.10953	1.1
183.11794	0.8
191.08510	4.1
192.09341	23.9
193.10138	15.1
195.11650	1.0
196.08800	0.5
202.07710	1.2
205.10152	2.8
206.10893	0.7
207.11711	14.5
209.09627	2.3
210.10466	2.1
217.10037	0.9
219.08078	0.7
220.08801	7.1
223.11163	2.1
225.12775	0.8
235.11162	17.4
253.12247	2.4
261.09149	2.5
295.13211	4.5
335.58981	0.6
357.14966	1.1
357.20413	0.8
417.17023	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	417.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	2.1
72.08154	3.7
82.35509	0.4
84.08144	100.0
86.09700	3.2
120.91457	0.5
123.04436	2.2
127.12312	38.9
137.14226	0.5
147.04358	1.1
163.34256	0.6
165.05403	0.6
191.07033	6.1
193.08614	1.1
213.16011	0.5
222.11261	4.3
244.66139	0.4
248.12941	0.6
417.20236	16.5
417.25629	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	417.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93259	0.3
58.06597	2.1
64.47829	0.3
70.06591	0.7
72.08154	0.7
84.08143	100.0
86.09697	0.4
89.57259	0.4
121.21811	0.4
123.04405	3.6
124.00645	0.4
127.12309	40.8
143.08171	0.8
147.04358	0.8
162.07661	0.4
182.76715	0.4
185.05901	0.4
191.07018	7.4
193.08627	1.6
207.06473	0.5
222.11235	5.4
236.12883	0.6
243.62785	0.4
247.12914	0.5
254.10210	0.5
255.06532	3.5
255.10446	0.8
400.40134	0.4
417.08533	0.5
417.13708	2.5
417.20078	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47080	0.2
57.38054	0.3
58.06600	1.9
72.08159	1.4
78.13452	0.2
84.08143	100.0
86.09690	0.4
94.52858	0.3
95.04945	0.3
122.00922	0.3
123.04427	10.0
127.12305	40.7
135.08096	0.4
137.06021	0.3
147.04422	1.3
151.74550	0.2
163.07440	0.3
165.05450	0.3
177.01776	0.5
179.07040	0.4
191.07051	5.4
193.08609	1.9
222.11220	4.4
231.42622	0.4
283.05951	0.4
326.63614	0.3
399.06958	0.4
417.08542	3.5
417.20139	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20144	6.5
55.42730	6.9
57.25301	6.4
58.48158	7.1
67.05476	12.1
69.07066	13.8
69.86138	8.3
74.10955	7.1
79.05505	18.4
81.07057	8.3
81.97155	7.0
83.08625	8.8
91.05460	18.2
93.07029	16.0
95.04984	18.5
95.08590	15.2
97.06508	8.0
105.07030	41.3
107.08596	34.0
117.07001	14.3
119.08566	47.5
121.10143	49.8
123.08058	39.9
131.08578	31.1
133.06529	8.7
133.10129	38.4
142.07854	11.8
143.08559	49.6
145.10077	39.6
147.07985	12.4
147.11671	10.3
155.08519	49.6
157.10106	48.6
159.08090	16.2
159.11670	36.6
161.09628	15.8
163.11159	13.4
165.06955	8.5
167.08502	12.5
169.10069	62.3
171.11703	13.5
173.09610	18.6
175.11172	11.5
179.08546	45.2
180.09415	30.1
181.10080	49.4
183.11667	59.2
185.09595	18.1
185.13283	33.8
187.11197	9.2
192.09357	12.5
193.10132	42.6
194.10880	39.2
195.11678	65.6
196.12408	9.3
197.09679	12.1
197.13223	16.7
199.11165	31.9
200.93335	7.8
201.12733	9.5
204.09468	8.8
206.10970	14.1
207.11702	17.3
208.12469	14.6
209.13290	77.3
211.11232	10.6
211.14882	12.3
213.12685	15.8
220.12480	11.1
221.13261	61.4
222.14053	9.6
223.11057	14.7
223.14830	16.4
225.16324	15.6
227.14342	11.6
228.08208	8.8
231.11667	10.0
235.14816	45.1
236.15529	19.7
237.12724	11.6
237.16357	13.6
239.14268	50.9
246.14014	10.0
251.17899	28.8
253.15666	8.6
255.13876	10.6
261.16296	14.3
269.18863	16.3
279.17499	64.3
297.18488	100.0
315.19684	10.8
357.20825	11.1
417.22687	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.1
67.05505	7.8
69.07072	10.1
79.05494	10.4
81.07046	29.1
83.08578	6.4
91.05465	10.8
93.07036	14.3
95.04962	11.0
95.08591	14.5
97.06525	10.1
105.03394	71.4
105.07021	45.4
107.04944	7.0
107.08578	42.7
109.06504	54.9
109.10159	6.7
117.07002	8.5
119.08575	55.9
121.10125	29.1
123.08083	6.5
131.08575	27.4
133.10139	31.4
135.08063	13.0
137.09589	14.0
143.08578	26.2
145.10152	44.7
147.08043	11.8
147.11742	6.7
149.09613	13.2
155.08502	13.6
157.10109	40.0
159.08046	13.2
159.11707	28.2
161.09648	14.6
167.08562	7.9
169.10107	42.1
171.08037	10.3
171.11659	28.2
173.09662	26.9
173.13361	6.0
179.08559	27.7
181.10095	29.7
183.11719	32.1
184.74843	6.1
185.09605	26.8
185.13197	7.9
187.11150	15.4
193.10196	15.8
194.11003	9.4
195.11670	47.3
197.09737	13.5
197.13231	13.6
199.11113	23.9
199.14793	9.9
201.12756	7.7
206.10881	11.1
207.11687	12.2
209.09663	15.5
209.13254	66.0
211.11127	30.6
211.15015	8.3
213.12767	14.6
219.11769	12.7
221.13243	26.2
222.10394	8.7
225.12775	11.1
227.14342	9.5
237.12758	29.6
237.16359	13.0
239.14439	19.6
243.98541	6.9
246.14146	8.4
251.14201	7.4
251.17923	32.1
255.13922	9.3
255.17307	7.7
261.16400	11.4
264.01498	7.0
264.15125	11.3
267.17548	11.1
269.18985	30.1
279.17508	91.0
295.16879	15.4
297.18463	100.0
315.19507	36.6
357.01816	6.7
357.20551	49.2
388.23111	6.1
417.22647	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
67.05534	3.6
69.07069	6.9
69.85052	3.8
70.38866	3.4
79.05508	5.0
81.07041	6.0
90.15849	4.0
91.05472	16.3
93.07025	19.6
95.08590	7.5
97.06572	6.9
105.07030	33.7
107.04974	3.6
107.08595	16.6
109.06517	6.0
117.07024	5.7
119.08582	70.8
121.06481	5.7
121.10164	6.5
123.08055	8.2
129.06985	5.4
131.08546	28.9
133.06453	4.8
133.10126	26.5
135.08089	7.5
143.08575	35.6
145.06432	3.7
145.10056	27.5
147.08054	17.7
147.11664	7.0
149.09636	16.1
155.08539	18.5
156.09323	4.4
157.10097	48.6
159.08014	21.5
159.11668	9.5
161.09621	37.0
167.08585	9.1
169.10115	34.4
171.08089	5.7
171.11679	31.5
173.09641	19.8
175.11180	17.4
179.08455	5.8
180.09315	14.9
181.10155	22.8
183.11699	6.4
185.09593	7.8
185.13289	28.0
187.11195	25.2
193.10114	5.8
194.10960	6.6
195.11676	57.6
197.09583	7.2
197.13336	5.4
199.11176	14.7
201.12817	4.5
206.10925	5.9
207.72125	4.0
209.09659	6.7
209.13321	24.9
211.11128	8.6
213.12747	28.1
221.13281	5.6
222.14046	5.9
223.11192	25.5
227.14304	14.7
231.11865	5.1
237.12721	18.1
237.16373	37.3
239.14374	5.4
251.17963	21.4
255.14186	3.9
255.17453	17.5
261.16306	5.6
269.18890	35.4
273.18613	4.8
279.17392	100.0
287.20038	3.7
297.18445	76.0
315.19559	22.9
323.32141	3.9
339.19443	14.9
343.55289	4.6
357.20575	22.7
375.21689	48.6
417.22556	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	417.227
Annotation	Methylprednisolone acetate
Peak:m/z	Relative Intensity
56.85334	4.4
58.79527	4.6
67.05500	7.9
67.11741	5.2
67.35632	4.8
74.87149	5.8
79.05488	35.7
81.07041	12.3
85.06545	5.7
91.05481	20.2
93.07027	34.6
95.04965	47.3
95.08608	22.6
105.03426	8.5
105.07037	46.7
107.08583	44.8
109.06539	38.3
109.10140	10.2
117.07008	11.6
119.08599	50.8
120.32391	5.8
121.06500	22.7
121.10139	31.9
123.08042	29.6
126.85067	4.8
129.07016	8.6
131.08569	33.6
133.06494	8.1
133.10107	32.1
135.08057	25.0
135.11731	7.3
137.09676	8.8
143.08575	38.5
145.10114	37.2
146.20375	6.4
147.08038	27.0
147.11687	28.6
149.09610	21.2
151.07574	22.9
155.08600	21.0
156.09425	7.6
157.10086	36.3
159.08055	12.7
159.11693	30.1
161.09583	7.3
163.11137	10.1
167.08531	9.4
169.10114	25.4
171.11684	29.3
173.09639	12.1
175.11118	8.8
179.08609	8.6
181.10153	25.1
183.11711	26.9
185.09569	6.2
185.13281	7.4
187.11140	8.7
193.10120	7.9
194.11014	7.7
195.11668	33.4
197.13266	23.0
207.11711	7.4
209.13278	31.4
211.09592	12.9
211.11327	7.8
211.14839	9.2
221.13205	12.3
223.11128	10.6
225.12650	8.5
237.10944	10.8
237.12990	9.0
239.14243	8.3
251.17957	12.6
253.15755	9.8
255.14046	6.1
255.17307	8.9
261.16568	6.0
267.17444	21.6
279.17426	28.6
287.20096	6.4
297.18488	89.7
315.19620	29.1
339.19342	6.7
342.85312	5.5
357.20688	47.1
417.22794	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	417.2272
Annotation	Lobophytolide F
Peak:m/z	Relative Intensity
51.55455	2.0
53.46656	2.2
54.10294	2.0
54.30545	1.9
55.05512	2.7
57.07074	3.8
62.84175	2.7
67.05491	5.5
69.07067	5.1
74.08777	2.7
79.05499	23.2
79.85843	2.3
81.07048	11.4
83.04982	4.0
84.28877	2.2
91.05488	14.6
93.07030	18.8
95.08601	24.0
97.06532	11.1
105.07024	24.1
107.04948	2.7
107.08614	32.9
109.06493	4.5
109.10152	17.8
111.08052	3.2
117.06993	5.0
119.08566	28.9
121.06502	5.1
121.10122	25.2
123.08059	5.9
123.11701	16.9
125.09582	3.1
128.06288	4.0
129.07043	5.3
131.08572	17.9
133.06459	5.9
133.10156	23.6
135.08066	6.1
135.11713	5.3
137.09618	4.9
141.06970	3.8
143.08560	26.1
145.10104	14.0
147.08018	19.6
147.11688	10.6
149.09642	17.5
151.07584	3.1
155.08553	15.0
157.10135	20.9
159.08058	13.5
159.11700	11.4
161.09627	9.6
161.13243	3.4
163.11136	4.9
167.08522	5.0
169.10129	23.2
170.10638	2.6
171.08047	3.5
171.11708	26.3
173.09610	13.3
173.13202	4.0
175.11136	5.7
179.08612	4.5
181.10097	15.1
183.11687	16.0
185.09604	18.2
185.13217	11.6
187.11133	5.1
191.10718	3.5
193.10139	2.9
195.11703	23.8
197.09636	3.5
197.13286	11.0
199.11220	24.5
201.12718	9.7
207.11713	9.9
209.09816	4.4
209.11586	4.7
209.13303	25.4
211.11169	3.1
211.14871	9.9
213.09334	3.3
213.12691	14.1
213.16301	2.7
215.14401	3.2
216.28859	2.6
217.12196	3.0
221.13333	4.5
222.14064	3.3
223.11281	4.1
223.14900	5.1
225.12814	5.3
225.16367	5.8
227.14299	4.2
227.18015	2.6
236.15671	4.0
237.12770	12.7
237.16403	10.3
237.96774	2.6
239.14369	4.1
241.12221	4.0
246.14056	2.7
251.17838	18.4
253.15858	2.8
255.13805	5.1
255.17464	4.4
261.16617	2.8
267.06534	4.2
267.17319	5.9
269.16068	3.4
269.19000	30.8
279.17496	26.9
297.18524	68.3
315.19522	26.4
325.47507	2.7
329.21082	3.0
354.39728	3.0
357.20529	40.5
375.21667	21.6
417.22778	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	417.2271
Annotation	Lobophytolide F
Peak:m/z	Relative Intensity
52.29083	5.3
67.05507	6.5
69.07070	6.2
81.07039	8.2
81.46195	6.6
82.63888	5.9
91.05460	27.5
93.07068	17.8
95.08617	9.2
105.07022	38.3
107.08559	8.7
117.81567	5.8
119.08579	72.7
121.06564	7.2
121.10065	7.7
131.08554	13.9
133.10114	34.5
135.08022	13.1
142.38834	6.4
143.08568	15.2
145.06525	10.8
145.10095	23.9
147.08034	8.5
147.11615	7.8
149.09608	11.8
150.86118	5.5
155.08487	10.9
157.10149	42.8
159.08051	11.5
159.11665	33.2
161.09624	38.1
167.08505	10.7
169.10132	25.9
171.11662	28.8
173.09578	12.4
175.11221	6.2
181.10138	30.5
183.11658	12.3
187.11163	7.2
195.11716	47.5
197.13252	7.4
199.11127	10.2
209.13202	32.3
221.13278	8.8
223.11096	9.1
237.12714	10.0
237.16426	24.4
239.14323	9.5
251.17958	26.4
255.17361	12.5
264.15005	8.9
269.19000	9.6
279.17474	100.0
297.15237	9.7
297.18372	58.0
315.19531	27.5
331.19064	11.8
339.19763	19.2
357.20432	11.7
375.21628	49.7
417.22098	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.227
Annotation	Methylprednisolone acetate
Peak:m/z	Relative Intensity
57.07054	1.6
65.58769	1.8
67.05497	3.2
69.03395	1.8
69.07069	7.3
77.32330	1.6
78.39594	1.6
79.05486	7.6
81.07033	11.7
83.08636	1.8
84.41072	1.6
84.72272	1.8
85.83401	1.7
91.05467	10.1
92.18503	1.8
93.07050	23.9
95.04964	3.1
95.08607	8.0
97.06502	3.4
105.07050	18.8
107.04945	2.4
107.08593	15.7
109.06493	9.7
109.10146	7.9
113.09685	1.7
117.07012	7.1
119.08562	19.5
121.06488	8.7
121.10125	17.3
123.08028	11.1
129.06975	11.2
131.08572	13.4
133.06461	10.4
133.10109	12.1
135.08035	7.8
137.09660	2.8
141.07004	3.4
143.08594	15.2
145.06522	9.2
145.10098	11.6
147.08028	7.8
147.11671	7.0
149.05945	2.5
149.09615	2.6
151.07524	13.6
155.08556	10.0
156.09328	2.1
157.10121	14.1
159.08064	9.5
159.11662	9.0
161.09599	9.2
163.11008	1.7
165.06943	2.2
167.08559	3.8
168.09343	1.8
169.10089	17.5
171.08022	4.1
171.11699	14.8
171.13988	1.8
173.09584	3.1
173.13248	3.6
175.11171	7.7
177.09100	2.3
179.08472	7.4
181.10110	11.6
182.11008	1.7
183.08057	2.2
183.11679	11.1
185.09586	4.4
185.13219	8.9
187.11237	3.9
193.10138	9.1
194.10852	2.5
195.11667	13.7
196.12512	2.4
197.09546	7.2
197.13283	9.0
199.11139	9.7
201.09056	2.5
201.12700	4.2
206.10890	8.0
207.11641	7.4
208.12450	3.0
209.13068	12.6
210.10431	3.1
211.11182	3.7
211.14807	10.3
213.12770	2.1
221.13177	13.8
222.14040	3.1
223.11212	2.2
225.12700	10.8
227.14211	3.5
229.15747	2.1
235.14821	1.8
237.12762	7.8
237.16360	2.9
239.14340	18.3
249.12660	8.0
251.17918	8.5
253.15895	2.1
255.17223	2.2
257.15503	2.1
261.16565	2.3
264.15390	2.0
267.17432	7.0
269.18985	9.1
279.17505	21.2
297.18500	34.4
315.19534	10.6
357.16724	2.5
357.20511	19.3
359.18558	3.3
375.21454	2.3
417.17090	4.0
417.22653	100.0
417.28110	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	417.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03513	4.1
55.05506	6.2
59.90060	4.4
69.07061	7.5
72.73876	5.0
74.34307	4.6
79.05502	4.8
81.07041	8.5
83.08594	6.1
86.25687	5.0
91.05437	6.5
91.08575	4.6
93.07043	8.9
95.08574	7.4
97.06549	8.4
105.03398	8.1
105.07038	90.5
107.08594	29.1
109.06492	11.1
109.10168	5.6
111.08093	5.5
119.08598	46.5
121.06497	8.8
121.10149	20.9
123.08060	12.0
129.06972	6.7
131.08549	22.2
133.06464	6.7
133.10123	27.1
135.08078	12.1
137.09608	24.3
143.08630	34.9
145.10118	31.6
147.08006	6.8
147.11661	11.5
149.09618	26.9
153.09064	5.2
155.08588	6.9
157.10126	27.7
159.08072	9.5
159.11693	20.8
161.09601	23.8
163.11104	6.4
169.10123	22.1
171.08026	8.9
171.11661	24.4
173.09612	11.5
175.11110	7.0
177.09032	5.6
181.10138	20.7
183.11732	28.1
185.09512	5.8
185.13211	9.3
187.11223	7.8
195.11726	31.4
197.13210	9.6
199.11131	20.2
199.14832	5.7
201.12845	5.8
207.11801	7.3
209.13283	25.4
211.14818	6.2
213.12770	7.3
215.14195	6.2
222.14047	9.8
225.12863	8.4
225.16367	6.7
227.14308	9.0
237.12665	7.5
237.16443	19.4
251.17972	20.2
255.17447	6.9
269.18979	24.4
279.17444	60.9
279.79889	4.9
297.18475	100.0
303.07324	5.9
315.19519	29.1
357.20657	6.8
417.22739	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	417.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87811	5.1
69.07043	7.2
79.05468	8.9
79.43687	5.8
81.07049	11.5
91.43344	5.9
93.07025	12.9
95.04964	13.6
95.08606	26.7
100.42296	6.7
105.03394	25.6
105.06995	31.9
107.08580	38.6
109.06505	8.4
109.10143	9.0
119.08578	70.6
121.06454	6.1
121.10136	9.7
123.08070	10.8
125.09619	14.9
131.08575	13.3
133.10144	25.6
135.08023	25.4
137.09613	25.3
143.08551	11.1
145.10124	14.8
149.09679	11.0
151.84087	7.0
155.08530	12.8
157.10144	37.5
159.08066	10.2
159.11705	12.5
161.09552	11.2
169.10152	27.7
171.11665	13.4
173.09633	23.6
175.11127	11.4
179.08472	7.9
180.53345	6.3
181.10156	8.4
183.08112	5.9
183.11691	25.6
185.13284	11.0
187.11234	12.3
193.10097	11.8
195.11676	31.8
197.09584	10.1
197.13263	15.4
199.11179	25.4
209.13257	8.6
211.11151	28.2
211.14973	20.1
213.12798	7.2
220.08868	10.3
221.13272	35.4
224.11913	8.1
225.12706	15.1
227.14246	8.8
235.11273	22.9
235.14597	8.2
237.16342	25.1
239.14349	28.7
251.17947	8.5
253.12141	47.0
253.15810	7.2
254.16798	7.3
255.17529	24.8
261.16312	6.2
269.15936	8.0
269.18997	52.6
279.17419	38.8
295.13242	9.0
297.18405	100.0
315.19504	31.8
339.20013	8.9
357.20566	31.5
375.21436	7.1
417.22375	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	417.2253
Annotation	Deoxyschisandrin
Peak:m/z	Relative Intensity
67.05487	1.6
73.07105	1.1
79.77492	1.1
81.07063	2.7
91.05458	2.5
93.07037	2.8
95.08600	1.6
101.75018	1.1
105.07029	1.7
119.08562	6.0
131.08542	4.5
133.10103	2.3
143.08461	1.7
145.10107	2.7
157.10007	2.2
159.11731	1.3
166.13708	1.1
171.11617	1.9
173.09602	1.4
197.27299	1.1
209.13211	1.8
235.66905	1.1
237.16383	1.3
261.27997	1.2
268.16599	1.2
288.29794	1.2
297.18420	2.8
303.67435	1.4
303.93332	1.1
305.10300	1.3
315.19800	1.9
331.18771	1.3
375.21918	1.8
399.20279	8.4
417.22214	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	417.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34488	2.4
54.65207	2.2
55.05508	11.6
56.90615	2.1
57.07068	3.0
63.31147	2.4
65.65931	2.3
67.05515	4.0
69.03440	2.7
69.07049	10.5
79.05491	4.2
81.07063	22.9
83.08614	16.3
91.05465	6.3
92.18548	4.6
93.07050	6.0
95.04964	5.9
95.08607	10.5
95.96175	3.2
105.07039	13.3
106.72716	3.1
107.04971	2.9
107.08587	16.3
109.06481	3.0
109.10145	15.8
117.07011	4.1
119.08546	28.6
120.08929	4.1
121.10129	14.7
123.11655	6.4
128.06158	4.5
129.06967	3.2
130.79230	2.8
131.08521	20.9
133.10130	14.9
135.08008	3.6
141.06998	4.1
142.07797	10.9
143.08580	27.4
145.06470	4.8
145.10101	19.9
147.08032	4.1
147.11581	3.2
155.08591	23.9
156.09224	3.8
157.10103	26.8
159.08072	12.4
159.11647	11.8
161.09584	6.4
165.06929	4.6
166.07782	4.3
167.08522	19.1
169.10110	27.2
171.07974	5.7
171.11688	17.9
173.09605	6.5
173.13226	5.0
175.11243	3.2
178.07747	3.3
179.08553	16.4
180.09323	6.5
181.10086	25.0
182.10930	4.3
183.11644	25.2
185.09631	15.6
185.13284	11.6
187.11224	3.1
193.10156	9.9
194.11003	5.3
195.11662	36.2
196.12544	4.4
197.13268	14.4
198.14067	3.0
199.11140	4.2
199.14688	3.3
201.16522	3.2
205.10051	3.7
206.11008	3.3
207.11682	13.9
209.09608	4.0
209.13272	28.4
211.11176	4.6
211.14861	10.6
213.12787	4.2
219.11642	5.0
221.13174	16.8
223.11188	10.9
223.14848	3.5
227.14288	12.3
231.41057	2.9
235.14781	3.7
236.15805	3.5
237.12822	4.4
237.16415	5.8
239.14201	12.6
239.17889	10.6
241.07176	3.2
241.12148	3.1
249.12793	3.1
251.17984	16.8
255.17456	3.9
261.16574	3.3
267.17514	6.0
269.19003	17.0
279.17444	30.0
297.18411	30.3
315.19626	5.8
357.20486	5.6
417.22678	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	417.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	17.8
69.07072	13.1
76.58443	11.9
80.96346	12.5
81.03432	14.6
81.07056	28.2
83.08616	19.4
86.70110	11.1
91.05481	16.9
93.07063	14.9
95.08594	21.8
105.07027	21.2
107.08592	24.0
107.98483	12.0
109.06483	12.6
109.10140	18.8
119.08595	100.0
121.10128	20.6
131.08568	19.5
133.10124	46.6
137.09654	12.1
141.44608	13.1
143.08543	45.9
145.10077	25.0
155.08505	16.5
157.10143	18.4
159.08107	19.5
159.11635	15.6
161.09593	28.2
169.10164	27.0
171.11681	45.6
173.09608	19.7
185.09566	13.9
195.11594	13.6
199.11148	44.1
251.17914	25.7
269.18933	25.5
279.17596	18.1
297.18573	71.8
314.19876	12.4
315.19443	21.0
400.28030	12.9
417.22968	17.8
430.39645	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	417.2272
Annotation	Methylprednisolone acetate
Peak:m/z	Relative Intensity
52.79324	3.6
55.05517	4.8
60.36309	3.6
62.96517	3.6
67.05502	9.6
69.07045	4.5
79.05479	8.4
81.00486	4.0
81.03442	5.4
81.07056	9.0
83.08620	4.7
88.52139	4.4
90.83004	3.9
91.05481	10.0
93.07020	32.0
95.04944	8.5
95.08592	21.9
101.47472	4.3
105.07013	41.9
107.04930	10.2
107.08585	17.6
109.06519	9.2
109.10138	17.1
117.06956	4.9
119.08581	29.2
121.10123	30.2
123.08035	29.7
123.11691	6.0
129.06937	6.4
131.08588	21.1
133.06480	9.3
133.10118	29.9
135.08057	8.5
143.08528	29.8
145.06480	9.1
145.10133	32.9
147.08028	31.9
147.11617	5.6
149.09596	15.3
151.07487	20.0
153.09122	7.7
155.08609	6.9
157.10127	28.0
159.08017	7.2
159.11662	9.1
161.09659	8.6
161.13252	7.7
167.08588	9.1
168.55124	4.4
169.10158	10.2
171.08041	7.1
171.11662	9.4
173.09615	20.1
180.09317	5.7
181.10138	20.4
183.11719	8.2
185.09605	6.8
185.13220	5.9
187.11223	5.9
193.10135	9.1
194.10982	7.3
195.11673	27.3
196.12532	5.8
197.09631	6.1
197.13254	20.1
199.11168	18.1
201.12782	6.6
207.11633	8.6
209.13274	24.7
211.14804	6.2
213.12566	6.5
213.16325	4.3
215.10739	5.8
215.14323	30.6
219.11667	8.0
221.13309	7.0
223.11005	5.1
223.14745	7.1
223.69823	4.5
225.12730	5.9
225.16281	5.6
227.14302	6.7
235.14915	8.8
237.12729	25.9
241.12444	4.9
246.14040	7.9
251.17982	24.4
251.95491	4.3
253.15848	17.9
255.13771	10.2
261.16403	16.4
263.73599	4.7
267.17352	5.8
269.19095	18.7
271.58350	4.6
279.17380	43.7
297.18475	100.0
315.16422	5.3
315.19687	17.9
342.05301	4.2
357.20599	58.3
375.21695	22.2
417.22772	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64577	4.9
55.05522	7.1
66.02420	5.1
69.07078	11.2
71.78310	5.1
77.66757	4.8
79.05487	5.8
81.07045	12.9
83.08608	12.8
88.91695	5.6
93.07026	10.1
94.79597	6.0
95.04971	6.1
95.08588	10.8
105.07018	21.4
107.08591	9.2
109.10191	6.8
117.07024	7.9
119.08576	94.1
120.08894	54.1
121.09299	5.5
121.10128	29.1
121.90691	5.5
123.11703	8.8
124.72227	5.7
128.06198	7.2
129.07021	5.7
131.08548	28.6
133.06516	8.7
133.10135	23.5
142.07787	7.4
143.08566	40.9
145.10132	24.9
155.08569	12.5
157.10150	28.1
159.07959	9.9
159.11664	22.0
161.09633	8.6
165.07150	6.4
166.07732	5.8
167.08563	12.8
169.10149	32.3
171.08054	6.8
171.11676	26.1
173.09625	7.1
179.08530	6.1
180.09354	12.2
181.10146	29.0
183.11748	23.7
185.13287	22.0
189.09169	6.5
193.10074	11.2
194.10916	11.0
195.11653	38.6
197.13257	12.9
199.11224	10.3
199.14926	5.6
203.94337	5.2
209.13225	31.0
211.14680	7.2
213.12723	8.8
221.13210	8.3
224.15341	6.2
227.14330	9.5
231.11623	6.8
236.15578	6.4
239.14348	11.2
247.39458	5.5
251.17929	30.1
267.17487	6.1
269.19009	28.0
279.17520	35.1
297.18524	41.3
315.19476	7.8
324.10922	5.6
357.20758	8.9
417.22690	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	417.2483
Annotation	Dendroside A
Peak:m/z	Relative Intensity
55.01716	7.5
56.12609	8.2
61.02895	8.8
67.05513	18.5
69.07066	11.7
81.07042	46.0
85.02896	36.0
87.19236	10.9
91.05490	19.8
93.07027	68.7
95.08597	65.2
101.27470	9.3
105.03422	13.2
105.07034	78.0
107.08586	55.3
109.10150	53.8
109.36423	9.8
115.70049	9.7
117.07037	11.0
119.08560	49.6
121.10116	19.7
123.11658	20.4
131.08582	23.9
133.10158	43.4
135.11655	47.2
145.10144	100.0
157.10216	10.1
158.49506	9.9
159.11699	48.2
161.13278	55.6
175.14929	9.7
201.16406	75.2
219.17451	54.9
256.99774	9.4
271.05984	42.8
405.69577	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	417.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61934	0.7
59.21714	0.7
59.35652	0.8
60.30793	0.7
69.07053	1.2
81.07052	3.2
91.05479	0.9
95.08559	1.1
105.07021	1.0
107.08541	0.8
129.06912	0.8
131.08569	1.6
133.10161	1.4
145.10126	1.2
156.17946	0.9
238.89250	0.8
325.21808	1.3
417.26132	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	417.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23929	0.9
64.79028	0.8
70.54681	0.9
79.05500	0.9
80.35866	0.9
91.05376	1.1
127.21053	0.9
241.76546	0.9
335.18887	1.3
341.52771	1.0
417.26123	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	417.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47250	1.0
57.08624	0.9
81.07024	1.5
83.08554	1.1
84.06678	1.0
93.07018	1.3
93.34391	1.1
95.42387	1.0
105.03368	6.9
105.07014	1.7
119.08619	1.1
135.04431	9.8
135.83893	1.0
155.07391	1.3
161.09622	1.2
172.44688	1.1
175.44873	1.2
181.10056	1.3
190.94731	1.2
417.13547	10.3
417.26086	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	417.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47294	3.7
59.39732	4.4
112.37801	3.9
119.08619	5.3
135.04436	4.9
155.91873	3.8
174.76970	4.2
202.91734	4.1
249.15317	4.2
417.26163	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	417.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83895	1.1
55.05516	2.7
55.94387	1.2
56.56969	1.2
60.16564	1.0
67.05507	14.1
68.59874	1.1
69.07043	5.3
71.04977	2.3
79.05502	12.1
81.07069	16.6
83.08621	2.5
85.06551	2.1
91.05466	14.0
93.07049	15.4
95.04969	2.7
95.08596	11.7
97.03781	1.3
97.06520	2.1
97.10184	2.3
105.07031	16.9
105.87615	1.3
107.04945	1.5
107.08588	6.7
109.06445	2.0
109.10136	1.8
117.07049	10.3
119.08575	14.3
120.08881	5.3
121.06524	1.6
121.10150	7.0
129.06995	8.2
131.08586	18.7
133.10104	5.7
135.08049	2.4
135.11664	2.4
141.07002	2.6
143.08543	8.1
143.88831	1.2
145.10168	9.7
147.04385	3.2
147.08096	1.5
149.09656	1.8
155.08545	6.1
157.10130	9.0
159.08012	2.1
159.11691	5.6
162.67444	1.5
167.08615	1.8
169.10133	8.1
171.11691	8.2
173.09723	1.6
173.13281	1.8
179.08563	2.6
181.10179	7.2
183.11699	7.7
185.09616	5.2
185.13251	2.8
187.11237	3.0
195.11722	8.2
197.13316	2.9
199.11177	8.7
203.14348	1.8
206.10957	2.6
211.14789	1.8
213.12820	2.3
221.13217	14.9
239.14268	8.5
251.17996	2.6
261.16498	1.7
269.19028	1.5
279.17386	5.2
281.15475	1.9
284.16867	1.4
288.28253	1.4
297.18616	6.8
297.21936	1.5
315.19577	1.8
315.23276	1.9
325.21616	11.5
343.22662	6.0
357.20474	2.5
371.22095	2.5
375.21823	1.8
399.21585	5.8
417.26413	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51261	4.5
57.38826	4.4
57.61956	4.3
60.42028	4.6
79.05499	9.1
81.03411	39.6
81.07069	7.9
91.05466	4.6
93.07039	43.0
95.04971	11.0
95.08572	6.2
105.07034	23.7
106.91031	5.1
107.08600	34.8
109.10168	6.4
119.08584	8.5
121.10117	12.0
133.06473	8.6
133.10162	37.5
135.08061	100.0
139.30038	6.0
145.10156	10.1
147.11612	6.3
161.09616	84.1
163.11168	10.4
188.27306	5.3
227.14151	5.3
271.94867	7.2
283.20563	37.1
301.21884	7.7
343.22568	8.7
365.92236	6.0
393.95447	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58063	2.4
55.39635	2.1
55.39943	2.3
67.05509	13.7
69.03429	14.1
76.37170	2.5
79.05489	5.7
81.03426	43.7
81.07060	14.0
88.67465	3.4
91.05469	14.2
93.07047	46.6
95.04977	25.0
95.08601	12.5
97.10220	2.9
105.07040	23.2
107.08600	42.2
109.10145	11.5
109.40792	3.1
117.07056	3.6
119.04918	4.8
119.08585	26.4
121.10153	13.5
123.11701	5.0
131.08586	4.3
133.06468	14.6
133.10115	37.6
135.08057	100.0
135.11678	3.1
145.06506	14.4
145.10120	14.0
147.08020	3.0
147.11630	11.4
157.10141	3.7
159.11691	3.9
161.09622	86.5
163.11185	14.2
169.10081	3.2
171.11639	3.6
173.13228	3.9
183.11617	3.6
201.12782	6.6
209.13129	3.3
213.12875	3.5
241.15939	4.0
255.17610	2.9
255.21100	3.7
265.19580	6.0
283.20554	42.9
310.24042	2.7
343.22565	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	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39824	1.0
53.03954	1.4
57.03424	0.6
59.48287	0.7
69.03442	11.5
72.18712	0.7
73.02887	0.8
78.03446	5.1
78.69628	0.7
81.03418	21.1
84.07647	1.5
84.08141	34.0
85.02903	8.7
85.08475	6.7
97.02898	7.7
99.04446	3.2
106.02914	69.2
107.04973	0.9
109.02216	1.0
109.02884	15.7
124.03944	100.0
127.03929	9.8
127.12315	9.6
128.12650	4.8
133.04944	1.0
139.03929	3.5
152.07100	1.3
162.72801	0.7
196.05974	1.1
197.49138	0.7
225.06442	0.9
238.10855	1.0
250.07086	16.4
268.08118	46.0
269.04474	1.1
372.87152	0.9
374.68192	0.8
382.11401	5.4
400.12634	1.2
418.13306	34.9
418.20352	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	418.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18170	0.8
53.62519	0.9
55.01859	1.0
57.03435	1.2
69.03396	1.2
70.06596	11.9
71.55141	0.8
81.19738	0.9
85.02894	4.6
97.02894	1.4
98.71571	0.9
104.06229	1.0
109.02843	1.3
115.54126	0.9
116.07076	27.7
123.04417	27.8
127.03875	1.2
137.05968	13.3
138.06755	13.5
139.03903	14.5
147.04413	12.6
151.03896	92.3
153.05431	1.9
163.03894	5.3
165.05467	10.5
173.05989	3.6
175.07515	1.3
181.04922	10.8
182.09393	13.2
193.04991	7.3
207.06511	1.7
215.07016	1.6
217.08617	3.4
243.06567	1.5
256.12927	1.1
266.10324	1.3
266.13837	1.8
267.06409	0.9
285.07657	4.9
303.08612	100.0
418.14645	4.6
418.18994	4.2
429.16949	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	418.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	2.7
84.08141	3.8
101.64400	1.8
116.07072	10.5
123.04407	24.3
139.03885	15.3
147.04404	11.5
151.03894	71.1
153.05426	2.4
163.03935	3.9
164.19247	1.9
165.05484	10.5
181.04926	9.2
193.04987	7.7
196.28003	2.1
207.06558	4.0
217.69739	2.1
220.09683	4.1
232.51938	2.0
266.10083	2.4
285.07516	3.7
303.08618	100.0
330.23721	2.0
418.15482	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	418.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
56.99508	0.4
70.06598	3.3
76.95357	0.5
84.08127	0.7
109.02896	0.9
116.07088	7.5
119.04925	0.9
123.03556	0.9
123.04426	25.1
124.03902	0.5
124.55321	0.5
130.72862	0.5
135.04434	1.1
137.05927	0.5
139.03911	13.5
139.04936	0.5
147.04388	14.8
151.03897	62.1
153.05426	2.3
161.06006	0.7
163.03882	5.8
165.05458	11.0
173.05956	3.8
175.03880	0.9
175.07657	0.4
179.03391	0.5
181.04970	8.8
193.00819	0.5
193.04953	9.0
204.57402	0.5
207.06557	4.1
215.07002	1.0
217.08624	2.1
243.06456	1.9
257.08087	0.8
261.07608	0.6
267.06577	0.9
268.08087	0.6
285.07562	5.1
291.53802	0.5
303.08624	100.0
418.14993	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	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47580	0.5
63.59084	0.5
69.38920	0.5
70.06583	1.0
73.06561	1.2
74.06081	0.5
75.98498	0.5
77.74297	0.5
85.02894	0.8
103.05469	2.5
106.02924	0.9
107.04913	3.8
116.20645	0.5
120.08096	100.0
124.03960	5.5
131.04916	2.7
149.05968	3.4
166.08621	53.5
286.09378	1.0
305.02554	0.6
418.13010	2.5
444.56329	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	418.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
66.64000	1.9
69.03430	5.0
69.07065	7.7
71.05029	2.4
76.44394	1.9
81.03406	2.2
81.07027	2.6
83.04981	53.2
84.04119	2.0
85.02902	30.5
86.59690	1.9
88.74853	2.0
92.17815	2.4
93.07034	9.3
95.08595	10.1
97.02884	8.0
97.06503	2.8
99.04455	2.7
105.07021	11.0
107.08585	14.2
109.10128	15.3
118.62443	2.2
119.08581	32.5
121.10124	10.7
123.11677	2.3
127.03893	4.4
131.08530	2.9
133.10118	100.0
135.11673	16.1
137.09616	9.0
139.11133	2.8
145.04935	2.6
145.10121	23.7
147.11734	3.2
161.09633	4.6
161.13190	2.5
163.11172	42.5
173.13211	3.6
175.14804	54.8
181.83922	2.2
185.13246	2.5
203.14305	81.6
221.15358	93.0
223.86035	2.2
283.64761	2.1
301.57016	2.5
376.21957	3.5
383.20602	9.8
418.23767	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	418.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	2.1
67.05486	6.3
83.04964	1.7
84.08134	1.6
84.19781	1.2
85.02940	1.9
85.06557	10.6
93.07010	1.7
93.94332	1.4
95.08604	55.4
98.78252	1.3
99.04457	1.4
105.07028	2.3
107.08575	2.6
109.06516	1.6
109.10109	1.5
113.05997	9.7
119.08575	11.5
121.10136	2.8
123.04430	1.4
123.08064	34.4
124.03927	1.8
133.10083	1.9
135.11665	14.4
137.09595	2.2
147.08084	2.2
147.11684	7.7
149.09607	26.2
151.14845	1.9
158.11755	3.2
161.13248	11.0
163.11217	1.6
165.12772	8.9
171.11659	2.5
173.13187	3.1
179.14294	2.9
189.12764	17.5
191.07037	1.7
207.13795	100.0
225.14825	15.6
238.14438	1.5
387.19955	2.7
418.18500	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	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93025	1.7
57.07074	1.9
61.02902	1.7
69.03392	2.1
81.07054	22.9
85.02897	22.1
91.05486	2.5
93.07020	8.2
95.08599	47.7
97.02896	4.2
97.06580	2.0
97.10171	7.4
105.07020	11.2
107.08595	34.2
109.10150	23.5
111.08024	1.7
111.11691	2.4
119.08588	21.1
121.10129	17.9
123.11691	9.9
125.09628	8.1
127.03924	3.9
129.79353	1.7
133.10109	24.1
135.11700	7.2
137.13345	1.8
145.04942	4.3
147.11678	37.1
149.13158	2.3
153.83887	1.8
161.13239	12.2
163.14812	10.6
175.14828	3.9
177.16399	10.5
203.17949	100.0
221.19008	44.3
252.29729	2.0
383.24146	16.7
400.26971	4.5
418.27823	14.4
434.17465	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	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81977	3.5
55.05503	9.8
67.05504	24.5
69.03424	8.5
69.07081	61.8
76.24502	3.6
79.05489	8.6
81.07064	87.9
83.04990	66.7
83.08610	21.5
85.02902	60.9
91.05454	18.9
93.07055	56.3
95.04971	16.2
95.08615	84.1
97.02904	20.3
97.06551	5.4
97.10160	8.6
99.04456	5.0
104.15782	4.7
105.03413	5.7
105.07049	63.4
107.08600	46.4
109.02869	4.6
109.10143	55.4
119.08564	63.6
121.10149	49.5
123.11716	38.5
127.03934	10.0
131.08568	4.3
133.10130	46.8
135.11737	31.6
139.11145	4.6
147.11696	69.3
149.13318	4.3
160.78020	4.5
161.13268	27.0
165.12782	4.4
175.14809	7.0
203.17940	100.0
221.19072	23.2
262.06125	4.5
327.44629	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	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36750	1.4
57.03428	1.8
57.07057	1.7
67.05483	2.4
68.03645	1.4
69.03433	1.8
69.07076	3.2
74.55127	1.6
81.07050	14.4
83.08609	3.3
85.02908	26.6
90.73985	1.8
91.05473	1.7
93.07034	7.2
93.56333	1.6
95.08611	35.7
97.02884	8.1
97.10168	3.5
99.80179	1.6
100.69218	1.7
105.07007	12.6
107.08591	17.0
109.10154	36.2
115.52459	1.7
119.08573	21.7
121.10117	29.8
123.11694	8.2
127.03916	7.5
133.10124	21.1
135.08054	1.9
135.11685	7.1
137.09572	2.2
137.13258	2.1
145.04942	8.2
147.11676	33.4
161.13251	13.6
163.06044	2.4
163.14790	17.0
165.12749	3.5
175.14804	7.0
177.16380	21.6
191.17918	20.2
201.16342	1.9
203.17940	74.5
221.18983	100.0
238.12999	2.9
241.93687	1.6
358.17288	2.3
400.79517	1.7
418.27866	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	418.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
62.19584	1.5
64.75826	1.4
67.05501	1.7
69.07086	10.7
71.08636	1.7
81.07056	10.0
83.08616	6.3
95.08600	7.0
97.10157	1.6
109.10159	7.7
123.11686	3.6
124.05227	1.4
136.05191	20.3
137.05977	55.3
138.06761	29.2
148.80202	1.4
149.09564	1.8
150.06757	9.3
153.05487	2.3
154.05786	1.6
161.05943	3.0
163.07529	6.9
175.07521	3.5
177.09091	70.8
191.10672	2.4
217.12297	1.7
270.63196	1.8
272.08432	1.8
368.33167	1.7
400.33356	100.0
418.34415	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	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03436	0.3
61.02914	0.4
63.29092	0.2
71.01325	0.2
73.02920	7.4
86.09674	0.3
115.03856	0.4
121.02840	0.3
231.06531	0.3
287.05475	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	419.1123
Annotation	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
52.81305	0.4
55.78396	0.3
60.53054	0.4
72.36301	0.4
92.17875	1.0
121.02856	36.2
136.94797	0.4
152.12352	0.4
163.07501	1.5
187.07480	0.6
227.03461	0.5
242.05791	0.6
259.06012	1.0
269.04498	1.0
284.06799	0.9
286.04810	0.8
301.07089	1.8
335.09109	1.0
359.08990	0.5
359.37097	0.5
377.10208	7.1
387.08560	9.9
403.14676	0.5
408.54672	0.4
419.11203	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	419.1124
Annotation	Asp-TyrMe-OH
Peak:m/z	Relative Intensity
51.20518	0.3
52.71350	0.3
52.72300	0.3
52.78711	0.3
54.98382	0.3
72.78649	0.4
93.26733	0.4
115.44990	0.4
135.04417	38.6
149.05972	4.1
173.05966	1.8
200.50690	0.4
201.05449	0.5
208.94728	0.3
222.07324	0.4
228.04221	0.4
247.07643	0.3
255.02951	0.6
287.05511	1.4
349.10669	0.5
373.07077	1.5
377.10217	0.4
387.08600	12.7
391.11496	0.5
404.09036	0.6
419.11240	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	419.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05275	2.0
69.03423	3.9
79.05504	3.9
81.03410	8.2
84.44092	1.8
85.02940	13.9
97.02863	2.3
105.03388	100.0
105.34168	1.9
109.02930	2.3
123.04436	22.7
127.03888	4.4
169.74846	1.7
205.38751	1.8
249.07605	4.1
267.08566	35.0
317.08484	2.8
419.09677	4.5
419.14734	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	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02136	1.1
51.26412	0.9
57.03430	5.7
58.04258	1.1
60.63576	1.0
75.04483	2.3
79.91117	1.0
85.02918	2.0
86.51433	0.9
91.09492	1.1
105.07021	17.0
107.04976	1.1
111.04448	1.7
119.87461	1.1
127.79353	1.2
133.06480	61.4
137.05971	100.0
163.07539	7.3
165.09096	34.6
175.07535	4.7
177.09062	1.2
181.08626	2.0
183.10175	13.1
193.08571	1.1
203.10669	1.7
221.11752	2.6
221.13701	1.1
257.13785	44.6
352.01181	1.2
419.19034	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	419.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80919	5.8
55.01881	5.1
55.04581	4.5
57.90272	4.8
58.00214	4.6
58.63499	4.3
61.38097	5.7
66.69935	4.9
67.05523	5.9
79.05447	6.9
81.07056	32.4
91.05478	8.2
91.37769	5.1
93.07033	40.4
93.90841	5.1
95.04979	60.8
95.08617	27.6
97.06526	33.9
105.07037	35.7
107.08599	26.8
109.06507	25.4
111.08115	6.1
118.67928	5.5
119.08588	39.7
121.06524	22.7
121.10160	13.2
123.08090	21.4
129.06992	9.6
131.08572	11.6
133.10106	33.6
135.08063	50.1
136.08888	7.2
137.09634	42.9
138.00432	5.7
139.07582	6.3
143.08543	45.8
145.10161	30.1
147.08018	8.5
149.09618	33.2
153.09062	9.1
155.08548	10.8
157.10138	39.9
159.08034	11.2
159.11635	7.6
161.09621	28.8
163.03976	7.8
163.07529	6.9
165.09125	27.0
167.08568	7.5
169.10152	21.0
171.08072	6.3
171.11717	26.5
173.09630	26.9
175.11160	11.6
180.09413	5.3
181.10106	41.3
183.11703	27.4
185.09688	8.0
185.13246	11.2
187.07458	7.0
187.11218	22.0
189.09129	7.9
193.10150	10.8
195.11720	33.1
197.13293	32.9
199.11195	13.1
201.12767	6.8
203.10678	9.6
207.11708	8.7
209.13402	8.8
211.11263	18.9
211.14816	22.7
213.12718	77.0
221.13234	6.6
223.11191	7.0
223.14815	40.5
225.12842	7.1
225.16042	6.9
229.12239	10.1
229.15952	23.5
235.14926	7.4
238.13443	7.7
239.14320	29.1
241.12315	9.5
241.15839	37.7
253.15895	29.9
257.15381	35.6
271.16852	75.4
273.14941	22.5
281.15707	16.6
281.19049	21.2
299.16449	100.0
299.20074	26.4
301.14319	7.0
317.17487	45.3
331.19046	36.4
341.17398	28.8
344.65387	5.7
359.18460	54.2
361.16306	13.1
377.19537	12.7
419.20282	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2062
Annotation	Norcaesalpinin C
Peak:m/z	Relative Intensity
58.26208	5.4
67.50424	4.8
68.91883	5.1
79.05470	11.1
81.07036	27.8
86.14842	5.6
88.65971	5.1
91.05437	7.7
93.07029	34.3
95.04961	48.8
95.08592	14.0
97.06516	25.3
105.07019	35.8
107.08580	29.5
109.06519	8.8
117.06962	6.2
119.08566	57.6
121.06498	30.2
121.10119	9.3
123.04369	7.5
123.08066	28.5
130.39301	5.7
131.08559	11.6
133.10081	32.1
135.08075	55.1
136.08870	8.5
137.09612	29.2
142.44229	6.4
143.08548	31.4
145.06467	9.8
145.10130	26.8
147.08047	11.4
149.09590	13.4
155.08569	9.2
157.10155	23.2
159.08029	12.4
159.11630	14.4
161.05930	11.9
161.09578	30.0
161.44643	6.2
163.07562	7.8
165.09085	7.4
169.10100	34.1
171.11659	32.8
173.09607	23.0
175.11209	5.9
180.09219	6.2
181.08685	8.1
181.10141	27.5
183.11731	24.3
185.09550	9.2
187.11157	28.0
191.10785	7.4
193.10123	9.9
195.11678	13.8
197.13249	25.6
203.10658	6.8
207.11737	9.1
211.11095	9.0
211.14789	22.8
213.12772	49.2
221.13153	12.6
223.14774	37.0
223.45654	5.7
225.12547	10.7
229.12325	10.6
229.15829	11.9
235.14517	6.5
239.14299	29.8
241.12115	12.4
241.15816	30.4
253.15729	9.9
257.15332	38.8
263.17957	13.6
271.16919	54.3
273.14871	12.6
281.15564	15.6
281.18970	39.3
299.16412	100.0
299.19989	34.6
317.17358	33.0
331.19025	28.8
341.17389	29.9
359.18509	52.9
359.22092	6.5
361.16333	8.5
377.19595	26.8
419.19955	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2426
Annotation	CHEBI:69183
Peak:m/z	Relative Intensity
55.05502	1.1
55.29406	0.5
59.21178	0.5
67.05518	7.8
67.24400	0.6
69.07050	1.4
69.71362	0.5
79.05492	0.7
81.07048	10.2
83.08601	0.9
93.07052	1.1
95.08605	8.6
109.10136	3.3
121.10155	1.0
123.11681	1.0
135.11694	0.6
137.27235	0.6
139.03882	2.5
153.01820	13.7
179.03401	2.9
192.04144	1.0
205.04912	8.3
231.06462	4.3
233.08061	0.8
237.72374	0.6
255.84866	0.6
261.11172	0.8
275.12827	2.4
280.44937	0.8
287.13037	0.7
289.14322	4.4
301.14349	1.4
303.15884	4.4
315.15738	1.1
317.17450	3.9
341.17578	0.8
345.20621	2.4
357.20456	1.0
373.23718	0.7
383.22128	17.4
401.23187	100.0
419.24234	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	419.2427
Annotation	11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
Peak:m/z	Relative Intensity
55.05508	4.1
69.07053	7.5
79.05474	5.0
81.03439	6.1
81.07074	8.9
83.04975	4.7
83.08617	9.1
93.07066	8.8
93.69566	4.1
95.08607	24.6
97.06532	28.3
105.07023	10.3
105.66396	5.4
107.08582	25.8
109.10133	35.9
112.70759	3.9
114.06084	5.6
119.08565	40.8
121.06490	9.2
121.10149	28.2
123.08037	23.5
124.90276	4.8
131.08559	24.5
133.10115	26.8
135.08031	22.9
135.11639	8.1
137.09612	26.0
143.08568	11.1
145.10146	44.6
147.07971	5.6
147.11685	9.2
149.09619	23.2
155.08565	6.7
157.10123	25.4
159.07982	6.8
159.11671	32.6
161.09601	7.9
161.13292	4.7
163.11249	8.1
169.10100	18.2
171.11696	20.4
173.09634	8.9
173.13292	11.1
175.11174	10.7
183.11682	28.5
185.13307	6.2
187.11208	10.2
187.14737	5.9
189.12732	8.1
197.13200	17.6
201.12828	9.8
207.11725	4.8
209.13155	4.4
211.11140	7.4
211.14818	5.7
215.14261	8.1
225.12790	8.0
227.14243	4.8
253.19559	6.8
271.20529	26.0
271.48456	4.5
281.18921	55.5
299.19992	100.0
317.21191	24.0
353.54803	5.3
359.22086	33.1
419.23920	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2429
Annotation	11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
Peak:m/z	Relative Intensity
52.03743	4.4
57.07077	21.9
58.75750	6.0
67.05509	6.2
68.63060	4.6
69.07069	8.7
74.80736	4.3
79.05522	9.4
81.07042	19.8
83.08614	7.4
83.41345	4.2
86.04708	4.5
89.22514	4.8
91.05468	7.3
93.07031	9.4
95.04964	7.1
95.08609	28.9
100.35224	5.0
105.07027	29.1
105.83873	4.8
107.08601	25.4
109.10160	25.0
119.08555	41.4
121.06524	5.5
121.10158	28.9
123.11710	41.1
123.26630	5.6
131.08636	19.8
133.10130	72.5
135.08040	21.5
135.11708	25.6
143.08586	12.3
143.55484	4.7
145.10130	8.7
149.09579	8.6
155.08531	9.4
157.10152	23.8
159.08060	6.5
159.11670	20.1
161.09587	19.2
163.07523	8.7
169.10094	11.6
181.08568	11.0
183.11693	20.9
185.13271	7.4
197.13264	32.9
204.17599	4.4
211.14783	5.9
216.27536	5.0
223.14847	6.0
225.12738	21.7
239.18056	7.0
253.19615	7.9
263.17642	5.8
271.20703	22.1
281.18945	36.4
299.20090	100.0
317.21103	33.2
341.21240	29.7
359.22180	87.0
377.23230	32.2
419.24097	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	419.2428
Annotation	CHEBI:69183
Peak:m/z	Relative Intensity
53.04169	0.6
55.05510	1.1
67.05508	9.1
69.07061	1.2
79.05479	1.2
81.07059	12.5
91.49541	0.7
93.07059	1.4
95.04987	0.7
95.08600	11.1
102.42282	0.6
105.03400	15.6
107.08573	0.9
109.10152	4.2
119.08606	0.7
121.10158	1.2
123.11704	0.9
128.65279	0.6
139.03885	3.3
153.01807	12.7
163.03981	0.7
164.43820	0.6
167.08594	0.8
178.58546	0.8
179.03392	3.1
192.04198	1.1
195.11650	1.4
205.04907	10.5
209.13203	1.3
219.06433	0.8
219.29291	0.7
224.51466	0.7
231.06519	4.0
233.44771	0.7
237.12781	1.5
245.08588	0.7
247.09705	1.2
261.11285	1.4
275.12735	1.3
288.32895	0.7
289.14291	4.5
301.14459	2.4
303.15900	5.9
315.15842	2.8
317.17563	4.4
327.15988	0.8
332.70053	0.7
341.17529	1.0
345.20624	1.5
357.20435	1.2
363.70984	0.8
373.23642	0.7
383.22113	21.7
401.23196	100.0
419.18860	1.4
419.24146	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	419.2771
Annotation	Simvastatin
Peak:m/z	Relative Intensity
59.24971	0.7
63.01059	0.7
63.53776	0.7
95.08611	1.3
133.10097	1.1
145.10089	0.8
178.84747	0.7
181.57040	0.7
196.35175	0.7
249.69159	0.8
381.59265	0.8
419.27658	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	419.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63580	2.5
55.63982	2.6
69.57463	2.2
103.90775	2.4
123.62935	3.0
147.11723	2.2
175.77531	2.7
199.80640	3.4
274.95529	2.5
275.26633	2.8
284.91525	2.5
419.27625	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	419.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.8
67.05505	0.8
69.07063	0.9
71.09380	0.5
73.51546	0.5
78.69476	0.6
79.05501	5.3
81.03427	2.7
81.07063	8.7
91.05478	3.2
93.07050	4.4
95.04949	0.9
95.08612	6.0
96.07581	0.7
101.06002	1.0
105.07035	6.9
107.08598	17.4
109.06516	0.6
109.10133	3.5
117.07021	3.1
118.06599	0.5
119.04954	4.2
119.08601	6.0
121.10136	2.2
123.11720	4.7
130.20531	0.5
133.06502	5.2
133.10138	8.0
135.08054	100.0
135.11644	1.1
143.08572	2.2
145.06482	6.5
145.10114	3.8
147.08067	0.8
147.11710	2.1
149.13326	0.9
155.08519	0.6
157.10110	1.4
159.08055	1.1
159.11710	0.6
161.09590	6.5
162.35048	0.5
163.11197	9.3
169.10114	0.7
171.11673	2.5
177.52571	0.6
179.10690	5.8
183.11742	0.7
187.11201	0.6
189.12729	0.7
195.11818	1.2
197.13168	1.0
199.14783	0.6
201.12697	0.7
203.14354	0.6
209.13208	0.9
213.12735	0.7
215.14381	0.9
223.14807	1.0
225.16492	0.6
227.14235	0.9
237.16382	0.9
241.15800	0.8
255.21103	1.0
261.87408	0.7
265.19485	2.3
283.20544	17.1
283.23425	1.0
301.21683	1.1
419.28165	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	419.2791
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.05272	1.3
50.08922	1.2
55.01875	2.1
55.05506	3.3
57.03428	7.4
57.07078	1.7
59.61953	1.3
64.57806	1.4
65.07478	1.4
65.40642	1.2
66.67564	1.2
67.05489	13.0
69.07047	2.4
71.08635	53.6
79.05492	18.1
81.03342	2.0
81.07061	16.5
83.04962	8.0
85.06522	1.9
91.05470	12.8
93.07055	14.8
95.04993	1.9
95.08585	10.7
97.06534	12.1
99.08087	22.6
105.07044	16.6
105.15499	1.5
107.08596	6.6
109.10144	6.1
113.42259	1.6
117.05466	19.4
117.07011	3.4
119.08594	17.7
121.10120	8.7
121.45089	1.8
127.11157	1.9
129.06992	2.9
131.08546	13.0
133.10109	7.3
135.11682	3.1
137.05977	1.6
143.08537	3.4
145.10112	16.4
147.11745	2.3
151.11153	8.2
159.11681	7.0
163.11148	1.9
171.06474	2.4
171.11693	21.0
186.43204	1.5
187.14821	9.6
189.12721	7.4
197.13374	1.7
201.16357	5.5
205.15877	2.3
219.17424	8.9
247.55222	1.8
267.21140	2.3
285.22159	3.6
303.23093	2.9
311.48615	1.6
369.25204	1.6
419.27896	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	419.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.1
66.79661	0.7
67.05498	1.0
72.42973	0.8
79.05476	5.0
81.03400	1.2
81.07059	9.2
84.32630	0.7
91.05460	1.9
93.07034	4.0
95.04969	1.2
95.08612	7.2
101.06038	1.6
103.68990	0.8
105.03372	1.4
105.07053	6.1
107.08597	21.6
109.10160	5.2
117.07016	1.7
119.04906	5.3
119.08566	5.3
121.10122	3.3
123.11734	7.4
128.06235	0.9
131.08548	3.3
133.06496	4.3
133.10138	7.8
135.08052	100.0
143.08554	1.3
145.06450	5.8
145.10126	3.8
147.11742	1.2
149.13300	1.0
157.10167	1.4
159.11661	3.3
161.09615	8.5
163.11162	7.2
171.11676	1.3
173.13185	1.2
179.10686	7.7
183.11713	1.0
185.09457	1.0
187.44470	0.8
201.12708	0.9
213.12816	0.9
241.15971	0.9
255.21098	1.2
265.19415	2.9
283.20532	18.3
301.21579	1.1
321.27869	0.8
394.63556	0.8
419.27887	1.2
431.36819	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	419.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38496	0.7
56.94178	0.7
64.44866	0.8
87.28956	0.7
87.88678	0.8
217.97581	0.9
309.07480	0.8
309.20273	4.8
320.74435	0.7
419.31299	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	419.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49416	0.6
69.07057	1.3
81.07053	2.5
92.18654	0.6
95.08608	1.0
97.10215	0.6
98.98441	2.6
107.08529	0.7
109.10162	1.0
120.25384	0.7
121.10127	0.9
155.01035	3.0
244.95940	0.6
367.99203	0.7
419.31284	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	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
52.89344	1.1
54.15629	0.8
55.05505	4.4
57.07072	4.3
61.56011	1.0
62.46175	0.9
68.82825	0.9
69.07066	17.2
71.08618	2.0
81.07053	1.9
83.04969	1.4
83.08633	9.0
85.10162	1.7
91.05466	1.5
91.22481	1.0
95.08569	4.2
97.10152	6.0
109.06503	8.1
109.10194	1.4
111.11674	1.8
120.32673	1.0
121.10104	1.2
121.95615	1.0
125.05972	7.2
137.05977	99.0
151.07539	21.7
155.07010	1.7
163.07516	1.1
165.09111	12.5
179.10661	10.9
191.10745	1.8
193.12201	7.0
205.12282	2.0
207.13756	4.6
221.15454	1.7
263.19989	1.1
401.34149	7.6
419.35172	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	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05507	11.7
57.07067	9.0
59.63192	1.7
67.05502	4.0
69.07073	29.8
81.07055	12.6
82.41724	2.1
83.04984	13.8
83.08630	16.1
84.22552	1.8
93.07040	7.3
95.08608	13.7
97.10169	8.9
107.08585	8.0
109.06478	2.3
109.10140	9.3
111.11656	2.2
119.08618	3.0
121.10131	8.3
123.11698	3.9
126.74357	1.9
133.10057	2.0
135.11659	1.7
137.05994	23.0
139.07542	3.8
145.10197	2.2
151.07529	7.2
151.11127	2.3
155.07130	3.1
159.11613	2.9
161.09621	4.0
161.13168	2.3
170.36894	2.0
175.11176	4.0
179.10675	2.6
189.12794	4.5
221.36870	2.0
289.91724	2.2
320.45313	2.2
325.67026	2.1
333.22308	2.2
396.94104	2.1
401.34189	22.5
419.35239	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	420.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50371	0.6
53.03936	0.9
57.03433	0.8
62.56853	0.6
69.03435	8.5
78.03439	4.1
81.03428	13.6
85.02896	7.0
92.24969	0.6
97.02876	3.8
97.03551	0.7
99.04439	4.2
100.35214	0.7
106.02193	1.6
106.02917	48.8
107.70871	0.7
109.02887	11.8
117.05464	1.2
124.03951	100.0
127.03905	5.2
148.67325	0.6
166.04990	1.2
250.07072	9.2
268.08130	47.9
285.68033	0.9
420.15015	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	420.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05512	0.9
62.31488	0.8
67.05509	2.0
69.03427	4.8
71.01308	0.9
71.05003	1.0
79.05501	16.2
81.03417	8.0
81.07059	100.0
85.02912	10.3
85.06034	1.8
85.06542	46.5
88.89770	0.8
93.07052	1.1
95.04957	1.0
95.08598	1.3
97.02876	6.8
99.04433	1.8
100.49728	0.9
105.07022	1.1
109.02868	4.4
109.06516	74.0
109.10156	1.1
113.83150	0.9
114.09193	1.4
117.52675	0.9
121.06467	1.0
123.04417	1.2
123.08018	1.4
127.03906	4.4
127.07551	24.9
132.04448	48.2
133.05223	5.5
139.07524	1.2
147.08040	4.0
151.07565	1.9
159.95378	1.2
174.09135	1.9
175.07568	1.7
235.09703	1.0
253.10719	2.1
271.11810	4.0
298.12747	12.5
374.40677	0.9
405.41476	0.9
405.78781	1.0
406.23770	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	420.1652
Annotation	Isonaamidine B
Peak:m/z	Relative Intensity
53.03938	1.5
53.15367	0.4
57.03435	1.0
59.82669	0.5
59.98260	0.6
60.28140	0.5
69.03438	6.6
73.02902	0.8
78.03450	6.9
81.02985	0.8
81.03420	14.0
85.02908	9.8
96.04463	0.7
97.02897	5.2
99.04433	4.0
106.02914	61.0
107.04951	19.3
109.02882	12.9
109.06504	0.7
124.03947	100.0
125.09447	0.6
127.03882	5.4
135.08070	6.5
139.59711	0.5
166.05087	0.8
208.06035	0.6
223.13258	0.9
227.16367	2.9
232.06035	1.3
245.46037	0.7
250.07074	15.8
268.08142	27.3
420.16486	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	19.4
59.04988	4.1
60.54903	1.9
69.03434	69.9
73.02920	3.6
73.93953	2.4
85.02906	63.4
87.04465	71.7
91.05479	95.7
97.02895	84.6
107.04950	10.5
107.08589	3.0
109.02866	2.3
115.03101	3.4
115.03923	100.0
127.03902	9.6
129.07024	3.2
133.04956	79.0
133.06465	4.7
145.04941	11.2
147.04388	3.2
149.13268	3.0
150.07616	14.6
153.09033	2.7
159.11684	2.9
161.04480	2.9
177.05539	2.1
177.12752	5.1
182.25435	2.3
188.62167	2.3
223.09651	22.3
223.13283	5.6
241.06996	3.8
241.14316	11.2
253.10649	5.0
259.08109	12.2
295.10178	15.2
329.07535	2.2
420.19675	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	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13967	1.7
55.01867	3.8
57.03430	12.6
57.40745	1.5
59.31234	1.7
61.02931	13.6
68.14943	1.8
69.03433	17.9
73.02922	72.9
81.03422	2.5
85.02911	70.4
87.04478	2.7
91.05481	100.0
92.18465	2.8
97.02888	58.7
103.03932	3.0
109.02853	4.1
115.03941	33.5
127.03914	23.3
129.06967	2.7
133.04965	22.1
133.06500	7.1
145.04964	19.6
145.06528	2.3
162.32106	1.8
163.05998	10.0
205.08740	3.5
223.06047	3.8
241.07063	8.3
253.10706	8.0
259.08203	15.9
259.99496	2.1
277.09067	2.2
288.14297	2.6
295.10074	13.6
390.93625	2.3
420.18732	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49122	0.7
69.03439	1.2
73.02942	0.9
78.03432	1.2
81.03406	1.4
85.02882	8.8
97.02917	1.9
98.50798	1.1
99.04475	1.4
105.07018	10.3
106.02913	11.6
107.04954	6.2
109.02848	0.9
114.50400	1.0
123.08071	8.1
124.03941	21.2
127.03918	1.8
133.06488	69.5
137.05968	100.0
145.04933	0.9
159.39024	0.9
161.09612	1.3
165.09099	37.0
177.09140	1.0
179.10670	3.9
183.10150	32.5
215.38078	0.9
223.13219	2.1
241.14302	28.5
250.07022	1.1
268.08041	7.3
420.12817	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0918
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
50.34916	0.3
51.94313	0.3
61.84967	0.3
63.57526	0.3
76.99243	0.3
88.02801	0.3
121.02867	28.4
124.86240	0.3
125.92513	0.3
165.05447	3.6
189.05402	1.9
235.27205	0.4
244.03632	0.8
271.02390	1.4
283.06055	0.5
288.02600	0.8
303.05023	0.4
344.06766	12.1
360.06326	5.1
361.07040	0.5
373.06964	0.6
375.08740	2.7
376.05676	5.6
379.08221	0.7
389.06509	7.2
403.08163	5.4
421.09158	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	421.1279
Annotation	Oppositin
Peak:m/z	Relative Intensity
74.49155	0.5
117.13451	0.5
125.61697	0.4
135.03503	0.6
135.04405	11.6
236.61630	0.5
371.09454	0.5
372.09900	100.0
373.10684	5.2
389.10229	1.1
400.40375	0.6
403.11795	3.0
404.08875	2.3
421.12805	68.5
426.82620	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	421.1341
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03430	2.1
61.02911	0.7
69.03407	1.4
71.20018	0.3
73.02915	4.5
76.84734	0.3
81.03448	0.3
84.09297	0.4
85.02906	3.7
86.07727	0.3
92.04910	0.3
97.02876	1.8
97.98764	0.3
124.03982	0.5
125.04328	0.6
127.03909	100.0
128.98262	0.3
244.42229	0.4
253.58083	0.4
268.08087	0.4
289.09143	10.2
344.84964	0.3
421.16614	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	421.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50744	0.5
50.70739	0.5
63.78315	0.6
71.91868	0.7
85.27316	0.6
94.44242	0.6
102.25874	0.6
111.32355	0.6
123.04391	0.8
127.03881	0.6
137.05997	0.8
173.44867	0.6
258.08786	1.1
259.09305	7.3
332.44730	0.8
417.33133	0.7
421.14658	100.0
441.98993	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	421.1678
Annotation	Pomiferin
Peak:m/z	Relative Intensity
60.41996	0.4
62.09941	0.5
72.30391	0.6
92.18500	0.5
101.38682	0.5
112.06575	0.5
123.04413	7.4
137.05928	0.7
147.04381	0.6
239.23970	0.6
247.61238	0.5
259.05988	0.7
271.06039	0.7
299.05582	4.4
306.09381	0.5
311.05655	1.1
322.08496	0.6
421.10178	3.1
421.16769	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	421.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27615	0.3
51.84685	0.3
71.58368	0.3
73.94942	0.3
79.45908	0.3
81.03422	1.5
84.50873	0.3
85.02893	1.6
96.54651	0.3
97.02878	0.7
108.04478	0.4
108.11857	0.4
109.02905	0.6
110.06046	5.5
123.04428	5.0
126.05455	0.4
127.03887	0.6
128.07080	1.8
132.04424	0.7
139.03880	1.5
139.89099	0.3
150.72218	0.4
151.03831	0.5
163.03922	0.5
234.07550	1.7
251.52716	0.4
252.08557	0.8
254.10194	0.5
263.05505	0.4
271.06073	0.6
272.11267	0.6
281.06277	0.5
289.12576	5.2
336.37845	0.4
367.12817	0.5
385.09378	0.6
403.10217	0.6
403.14941	3.3
421.16751	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	421.1683
Annotation	Pomiferin
Peak:m/z	Relative Intensity
50.89012	0.4
69.03404	0.6
70.46979	0.4
85.02890	0.8
103.54106	0.4
115.65324	0.4
123.04464	0.9
124.15791	0.6
127.03905	10.0
139.03960	0.7
163.03906	0.5
180.23878	0.4
269.04657	0.8
283.05841	0.7
289.09125	0.8
321.11621	2.0
363.12634	7.2
421.16803	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	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11234	0.6
56.58757	0.5
61.18100	0.5
71.98972	0.5
85.02884	0.7
91.05497	1.1
107.04945	0.7
120.23177	0.5
123.04449	0.9
131.04921	0.7
137.05948	2.6
147.04414	3.6
160.78572	0.6
163.07452	0.9
175.07483	2.8
193.08611	3.9
194.54121	0.7
199.07367	0.6
243.06245	1.2
243.08746	46.1
244.09531	100.0
245.10323	0.9
257.10345	2.1
280.06500	0.6
378.15317	29.2
379.16052	19.7
379.20657	1.2
402.69769	0.6
421.17163	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	421.1858
Annotation	Maoesin A, (rel)-
Peak:m/z	Relative Intensity
59.67137	4.5
69.03412	4.6
92.17863	4.9
95.04961	9.8
97.02885	4.6
105.07012	6.7
107.04940	18.5
109.06516	6.9
119.08562	6.5
121.06538	7.0
121.10112	6.3
129.09091	4.4
133.10153	7.1
137.06007	4.5
153.05455	5.2
159.08044	9.2
161.40884	5.2
165.05508	5.4
167.07024	5.0
170.10884	8.6
171.11787	4.8
177.09138	5.8
180.09424	5.0
183.11618	10.3
185.13321	5.0
193.10159	8.6
194.10857	6.2
195.11644	10.1
197.13269	18.2
207.11641	5.5
209.09663	4.5
209.13251	8.7
211.11171	23.5
213.12737	10.3
220.12447	30.1
221.13191	6.5
223.11186	16.0
223.14796	6.3
224.11963	6.3
225.12767	20.8
229.12286	8.3
233.08043	7.2
235.11174	7.8
235.14778	19.1
236.11986	4.9
237.12770	8.1
238.13565	6.1
239.10654	16.6
241.12241	42.0
248.11946	9.5
251.14412	8.5
253.12251	22.5
261.12766	21.9
263.14337	5.2
266.13086	6.5
271.13245	16.8
279.13785	30.6
281.11826	7.5
281.15286	10.5
289.12079	10.2
295.13455	4.8
297.14859	7.6
307.13220	100.0
315.08673	29.3
315.15915	8.4
325.14359	31.9
343.15363	21.4
349.14188	6.9
361.16296	6.5
367.15366	31.0
385.16360	31.1
393.09723	41.8
403.17560	29.5
406.06601	7.4
421.09134	60.9
421.18369	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19662	2.1
57.68635	2.3
70.46632	2.8
81.07069	4.3
91.05493	5.5
92.17898	6.0
101.03091	2.4
105.03394	80.0
105.07011	5.3
105.60570	2.5
109.06491	10.6
109.76925	2.6
119.08566	3.8
129.06985	5.3
131.08534	4.7
141.06972	3.1
143.08557	11.8
145.06435	3.3
145.10141	6.5
155.08553	17.9
157.10080	10.4
165.06996	5.4
167.08562	5.1
169.10115	29.3
171.08005	4.9
178.07739	4.9
179.08595	23.9
180.09393	6.5
181.10088	11.5
182.10907	3.9
183.11731	17.3
191.08577	17.8
192.09348	16.4
193.10114	21.9
195.08093	2.6
195.11725	18.7
196.12418	4.6
197.09554	5.3
197.13177	4.9
205.10201	5.2
206.10921	73.7
211.11143	5.2
211.14716	35.3
213.12759	2.8
221.13239	100.0
223.11153	3.3
239.11858	3.0
239.14282	80.5
281.15402	5.7
299.16458	11.2
421.09311	3.0
421.20117	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	421.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80665	0.5
56.05030	2.6
56.87106	0.5
68.88414	0.4
69.03416	1.2
71.04993	11.4
84.08150	0.5
85.02910	4.4
85.99624	0.5
86.24812	0.5
87.04447	0.7
88.07626	0.9
92.72061	0.6
97.02894	1.1
105.11613	0.5
109.02888	0.7
110.09679	2.2
116.07095	4.7
127.03855	0.7
128.10716	31.8
141.06595	1.0
144.06575	2.5
170.08102	2.5
172.09679	100.0
189.12340	26.6
191.03391	2.0
199.08241	0.6
203.03568	0.6
211.09256	0.5
241.15572	0.8
259.16525	31.1
266.18530	0.5
269.08185	0.5
290.16138	0.8
421.09402	1.0
421.21838	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2373
Annotation	Crinatusin B1
Peak:m/z	Relative Intensity
66.41463	0.8
67.05492	1.0
69.07058	1.1
79.05479	1.2
81.07045	3.1
85.02898	1.2
86.80756	0.8
92.17864	1.8
93.07031	4.5
95.08601	10.9
105.07018	1.9
107.04927	1.9
107.08618	6.2
109.06525	1.4
109.10140	3.6
116.51724	1.0
119.08572	12.9
121.06497	0.9
121.10104	8.5
122.21588	0.9
123.04379	1.8
123.08068	1.4
125.02339	0.8
131.08543	4.6
133.10117	7.3
135.04459	0.9
135.11693	0.9
137.05933	3.1
139.03862	6.7
143.08624	0.9
145.10091	5.5
147.11705	1.9
151.02684	1.0
151.03886	25.9
153.05473	15.2
157.10109	4.9
159.11647	6.8
161.13185	3.6
163.03871	1.6
165.05492	6.9
167.07059	1.8
167.08456	1.0
169.10080	1.2
170.44086	0.9
171.11665	4.8
173.09538	1.0
173.13187	1.5
175.07512	1.4
175.11206	0.9
175.14844	1.1
177.05434	4.8
179.06985	1.8
183.11673	4.9
185.09589	1.3
185.13243	3.3
187.11104	1.0
187.14781	4.4
189.05476	4.9
191.06992	10.8
193.08588	2.0
195.11662	1.6
197.13245	1.3
203.06912	1.1
203.14180	1.0
205.08575	1.6
207.11723	1.0
211.14827	1.2
217.08568	17.1
219.10106	5.0
223.14671	1.2
229.08557	7.0
231.10149	6.6
241.08527	1.3
241.15845	1.0
243.10144	4.4
245.08138	1.0
245.11661	3.4
255.10086	1.2
257.11755	1.1
263.17886	0.9
269.11780	1.5
281.11606	1.1
283.13278	1.1
295.13397	1.6
297.14890	1.0
309.14709	1.0
315.04910	1.1
315.08591	3.7
349.18365	1.3
393.24222	1.0
403.22653	8.5
421.08621	1.8
421.23666	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	421.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17787	1.5
55.09353	1.7
60.29013	1.8
63.86966	2.0
69.03446	1.8
69.50100	1.9
72.76040	1.5
79.05508	3.6
81.07053	10.2
91.05470	2.0
93.07052	9.3
95.08594	8.5
105.07034	6.9
107.08608	31.5
109.10160	9.8
119.04945	3.0
119.08575	3.5
121.10123	8.4
123.11691	8.2
125.05965	2.0
131.08517	2.1
133.06503	4.0
133.10127	8.7
135.08058	100.0
135.09090	3.6
135.11649	1.9
143.08513	2.8
145.06509	8.7
145.10185	2.4
147.11667	2.7
157.10085	2.4
161.09616	8.6
163.11206	8.0
169.10081	2.7
171.11693	3.8
173.13272	2.5
175.11252	2.3
179.10661	3.4
183.11697	2.4
185.13188	2.3
201.12651	2.0
211.14746	2.3
215.14331	3.2
255.21187	2.7
265.19394	2.2
267.09274	1.9
283.20609	19.8
301.21597	4.4
307.13403	4.1
361.23557	2.9
385.16547	2.1
396.65787	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	421.2583
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
55.05520	12.7
67.05505	1.9
69.07071	14.4
79.05484	2.0
81.07049	5.7
83.08620	8.9
87.62326	0.9
91.05461	1.6
93.06991	2.1
95.08605	4.4
97.10143	3.6
107.08576	1.8
108.17551	1.1
109.10119	1.5
121.10142	1.1
126.93613	1.0
127.03944	1.3
130.62102	1.1
131.08577	1.0
133.10135	1.8
133.16786	1.0
137.41972	1.0
139.03891	5.4
153.01813	23.1
153.46646	1.1
179.03384	5.8
191.03447	1.2
205.05006	13.0
219.06544	1.3
231.06519	9.9
233.08134	1.6
247.09633	2.1
261.11185	1.9
275.12708	4.9
289.14322	8.9
301.14310	4.8
303.15878	10.2
315.16025	6.3
317.17490	6.6
329.17371	7.9
331.18884	1.8
343.19046	6.7
385.23685	55.9
403.24753	100.0
421.20343	1.6
421.25745	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
54.82721	4.4
55.05504	11.1
67.05508	65.9
67.32581	4.4
69.07062	21.3
72.59054	4.9
79.05496	29.0
79.93760	4.3
81.07054	100.0
83.04991	5.3
83.08619	25.2
85.06544	7.3
91.05488	23.4
93.07040	40.5
95.08608	64.9
97.10143	6.9
105.07039	20.0
107.08590	51.9
109.10158	67.3
111.08057	6.7
119.08601	27.7
121.10111	48.8
123.11680	21.1
127.03874	45.1
128.27623	5.7
133.10138	23.9
135.11687	49.6
139.03899	57.2
145.10086	7.0
147.11653	21.4
149.13223	10.3
153.01823	77.8
159.11668	9.9
161.13452	5.2
165.05469	5.8
167.60258	5.1
201.48944	5.5
222.18503	5.2
231.21220	7.5
241.19525	9.7
249.22131	20.9
259.20609	26.3
277.21603	84.6
277.24292	7.6
295.22705	75.0
385.23758	11.9
403.24841	22.3
421.25760	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.2
55.05510	7.2
57.03441	7.3
57.07075	3.4
57.44034	1.4
67.05511	18.8
69.07072	18.4
71.05001	2.9
79.05481	11.9
81.07063	29.0
83.04973	1.9
83.08627	4.3
83.92158	1.6
85.06573	3.4
91.05499	3.4
93.07030	14.1
93.48954	1.8
95.08598	23.1
97.06539	9.4
99.04370	1.9
103.32179	1.7
105.07021	3.1
107.08575	25.7
108.46970	2.0
109.06513	13.1
109.10161	15.1
109.31918	1.7
111.04457	1.9
111.08126	2.7
119.08595	8.3
120.74954	1.7
121.06531	2.3
121.10143	15.8
123.08094	10.9
123.11706	2.5
127.03942	2.2
131.08623	2.3
133.10149	10.5
135.08051	17.4
135.11699	14.2
137.06010	10.8
137.09573	1.9
139.03967	2.3
143.08525	2.1
145.10155	4.2
147.11751	8.8
148.05307	2.0
149.09581	2.9
149.13298	4.0
151.07643	2.0
157.10115	2.6
159.11662	2.6
161.09633	3.1
161.13278	3.7
163.11118	2.3
165.12796	10.6
175.11241	2.2
177.12726	14.5
179.14330	4.2
181.12263	4.1
193.12242	1.9
219.67123	2.1
221.19009	2.0
263.20230	2.8
277.21762	8.3
293.33777	1.8
301.25110	1.8
305.24741	33.6
319.26495	9.3
329.24786	4.0
347.25778	38.8
365.27161	3.2
400.04251	1.7
403.28998	2.5
421.29666	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81295	0.6
52.72947	0.5
57.07069	5.1
66.35943	0.6
68.51149	0.7
95.36729	0.7
104.19371	0.7
115.95586	0.6
119.88985	0.7
179.83928	0.7
194.59335	0.7
209.12863	4.4
223.03642	0.6
275.17410	1.2
292.20273	4.0
293.18536	8.0
302.18671	13.5
358.24854	0.9
376.25940	100.0
378.26785	1.0
394.27121	1.2
394.50058	0.6
421.23422	1.1
421.31738	28.6
424.19107	0.7
448.12363	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	421.3676
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05502	5.5
57.07070	6.9
59.37044	1.3
67.05500	2.2
68.31681	1.1
69.07063	16.4
71.08613	2.1
74.56479	1.2
81.07030	2.7
83.08600	8.0
93.07040	27.2
95.08604	23.7
97.10159	5.6
107.08565	1.3
109.10133	2.9
110.94723	1.6
111.08072	19.8
111.11723	1.8
121.06476	1.5
127.07567	3.0
129.05728	1.6
135.11638	1.7
139.07524	33.1
139.08485	2.1
151.44418	1.4
153.09099	18.1
157.08580	2.0
167.10658	13.6
179.10654	1.7
181.12280	9.1
189.62025	1.4
195.13754	10.8
207.13799	2.3
209.15341	2.6
223.16855	1.4
265.21591	1.9
403.35846	8.1
421.36758	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	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.52414	2.3
55.05528	3.9
57.07076	6.2
67.05511	3.8
69.07056	11.6
81.07053	3.2
83.08628	12.0
86.53673	2.5
93.07053	27.7
95.08591	25.9
95.61544	2.7
97.10165	6.2
107.08584	3.4
109.10155	4.3
111.08084	17.8
121.10148	2.5
127.07567	2.9
139.07515	32.0
153.09111	12.3
167.10635	12.7
175.68996	2.9
181.12260	11.3
195.13824	11.3
198.33568	2.7
209.15407	4.0
214.87054	2.8
218.81398	2.7
249.25533	3.1
287.70938	2.8
403.35632	11.5
421.36905	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	422.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.2
78.03445	5.0
81.03421	11.1
84.94942	0.8
85.02905	4.7
85.06557	1.0
93.66795	0.8
95.08596	1.7
96.04504	1.2
97.02888	5.2
99.04443	1.8
106.02918	47.1
109.02883	11.3
111.04449	1.5
121.10131	1.0
123.08028	1.5
124.03948	100.0
124.83740	1.0
127.03910	7.1
137.02345	66.1
137.05916	1.5
140.79988	0.9
155.60890	1.0
165.11223	0.8
165.12749	3.3
207.13777	8.9
222.91586	1.0
225.14906	1.5
232.06197	1.1
250.07053	13.2
268.08151	60.7
271.74271	1.1
290.60403	0.8
386.08780	1.6
404.09845	10.9
422.09982	27.8
422.14978	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	422.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96698	0.4
57.03426	0.5
69.03431	4.2
73.40288	0.4
81.03412	4.0
81.32751	0.5
85.02899	8.6
85.27897	0.4
91.05474	2.9
95.04948	1.1
95.13268	0.5
97.02879	3.2
99.04447	1.9
106.02912	8.8
107.08574	0.7
109.02872	3.1
119.04939	1.9
123.04428	10.8
124.03945	100.0
127.03909	2.8
136.06187	16.0
137.05969	33.8
145.04909	0.5
155.07027	24.9
171.11696	0.6
207.13759	2.6
215.41844	0.5
225.14922	0.6
243.15910	0.7
250.07130	3.1
260.09146	56.1
268.08154	12.3
330.19180	2.0
422.14398	15.6
422.23663	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	422.1444
Annotation	909910-43-6
Peak:m/z	Relative Intensity
52.93821	0.7
53.03951	0.9
69.03429	12.0
71.04986	1.4
73.02919	1.6
77.79975	1.0
78.03453	9.8
81.03416	21.5
84.01707	0.9
85.02894	12.0
86.09637	0.9
87.30167	1.0
91.05472	1.8
97.02347	0.9
97.02877	8.7
99.04434	5.6
103.86950	0.9
106.02912	98.6
109.02877	19.0
124.03944	99.9
127.03901	7.6
132.19504	0.9
137.05022	1.3
137.05995	23.1
232.05997	1.4
250.07085	16.8
268.08127	27.7
422.14404	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	422.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.06489	0.7
58.67244	0.7
62.34660	0.8
67.60442	0.7
69.03433	9.3
71.04974	1.1
74.69199	0.7
75.93316	0.8
78.03458	7.3
78.03817	0.8
81.03420	17.8
85.02904	6.9
85.83912	0.8
91.05473	4.1
92.18455	1.0
93.10927	0.7
97.02895	5.6
99.04436	4.6
106.02916	72.9
106.35767	0.7
109.02872	15.8
119.04940	4.7
124.03945	100.0
127.03881	7.1
137.05972	46.9
196.06027	1.2
202.44946	0.8
232.06123	1.1
250.07095	16.4
268.08154	37.3
404.13437	19.2
422.14429	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	7.2
69.07124	2.8
71.04971	6.0
81.07047	29.0
83.04989	6.0
85.02897	4.2
91.05485	3.4
93.07053	12.9
95.08595	4.7
97.06577	4.6
99.04459	29.4
105.07046	15.9
106.02916	7.7
107.04932	4.8
109.02886	7.2
119.08580	52.8
121.10083	6.4
124.03943	29.5
125.05973	16.1
127.03893	22.2
133.10161	28.2
137.05965	4.8
143.08551	15.9
145.10078	11.2
147.08051	62.5
152.24303	3.3
161.09608	96.1
165.09113	6.9
179.10669	21.1
181.12352	5.7
189.09062	60.7
207.10175	100.0
225.11227	82.4
237.20105	3.5
243.08682	6.7
244.09332	32.4
245.09895	38.7
255.61005	3.7
268.08286	4.0
273.19760	3.6
309.84869	4.0
379.15665	17.3
380.16516	14.4
422.17789	16.2
431.92465	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69056	3.9
62.65591	3.7
69.03450	4.2
71.04993	6.6
79.05484	4.3
81.07050	17.6
91.05473	5.7
95.64765	4.3
97.06498	6.0
99.04453	23.1
100.14662	3.7
105.07034	6.0
106.02944	5.0
107.04959	5.4
109.06499	6.8
119.08569	44.3
121.10146	8.0
124.03945	25.6
125.05994	8.9
127.03902	19.6
127.07476	4.8
133.10120	35.7
138.27988	4.2
143.08574	16.5
147.08063	41.0
161.09604	80.3
174.65990	3.6
175.96983	3.5
178.04950	4.4
179.10706	7.1
189.09123	49.7
195.23651	3.6
207.10165	100.0
212.58351	3.8
216.80228	4.5
225.11223	66.7
225.14825	6.7
243.08763	25.2
244.09352	85.0
245.09875	77.2
268.08066	4.0
311.40552	4.5
339.27209	4.2
379.15692	35.8
380.16403	16.3
389.21820	4.3
422.18039	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	422.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
67.05205	0.9
67.05511	11.3
68.78938	0.7
68.81145	1.0
69.07066	4.4
79.05511	6.9
81.07062	16.9
83.08617	4.6
88.68185	0.8
91.05453	4.2
93.07038	9.4
95.08603	14.0
97.06505	3.5
97.10135	4.1
105.07000	1.3
107.08576	6.1
109.02301	0.8
109.10165	7.7
111.08108	1.6
119.08561	3.4
121.10143	10.4
123.11687	3.2
125.40371	0.9
127.03892	10.6
131.08530	1.1
133.10135	7.7
135.11699	6.5
138.49629	0.8
139.03902	18.4
145.10165	0.9
147.11668	1.4
149.13225	2.0
153.01828	100.0
153.05402	1.8
155.03442	1.5
163.03934	1.7
165.05469	5.2
181.04945	5.6
195.06470	1.1
215.17961	4.7
233.19119	1.8
251.20038	12.4
260.20087	3.3
278.21112	17.0
326.84497	0.8
357.40073	0.9
359.22070	1.3
377.22925	12.3
404.24298	56.7
422.25107	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	423.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79757	2.0
53.03941	3.0
55.01862	3.0
55.12755	2.4
57.03441	45.0
61.02924	4.2
67.05502	5.2
67.44541	2.6
69.03432	94.9
71.01324	5.9
71.05000	25.8
73.02911	11.6
74.27878	2.3
79.05484	6.4
81.03428	37.6
81.07068	54.1
83.04988	5.7
85.02908	66.0
85.06547	100.0
87.04463	5.4
91.05422	3.1
92.98975	3.6
95.05005	3.0
97.02895	21.7
97.05499	2.6
99.03837	5.1
99.04453	99.2
106.02922	3.6
109.02866	20.5
109.06506	59.3
111.04459	9.7
113.50740	2.5
115.03896	2.6
117.05470	41.1
121.06493	3.9
123.04402	4.9
124.03946	12.3
127.03922	29.9
127.07545	49.7
135.06529	38.1
135.25363	2.5
135.33614	2.4
145.04970	31.3
147.04506	3.4
147.67046	2.6
153.07597	37.1
163.05994	15.9
177.73795	3.0
183.32838	3.3
243.08578	2.8
245.04454	15.6
253.10686	10.3
257.04376	3.8
268.07993	4.0
313.12219	3.1
357.06943	3.0
423.06973	4.1
423.18039	5.8
427.77496	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	423.2013
Annotation	Maoecrystal I
Peak:m/z	Relative Intensity
50.71529	2.6
56.08835	2.9
56.37264	3.2
65.49591	3.2
83.85596	3.1
97.10170	3.8
98.96516	3.2
121.06516	4.3
125.70943	3.1
133.10085	3.9
137.02406	3.2
137.05995	16.4
145.10144	4.6
147.04367	5.5
171.08037	4.6
171.11673	5.3
181.10281	3.9
183.07954	4.3
189.09071	3.9
195.11563	4.1
197.09610	4.7
199.11263	7.0
213.12762	4.4
217.05022	3.3
223.11105	4.4
227.07042	15.3
239.14326	31.0
241.08517	24.5
241.12187	3.7
243.13782	5.0
245.15327	13.5
255.13792	16.6
255.17435	3.8
257.04446	47.7
257.15295	13.3
259.06137	4.7
263.14392	4.7
265.12149	4.3
271.06052	20.6
281.15305	14.8
283.13287	70.0
283.16870	14.7
299.16339	7.1
301.17905	4.1
309.14856	28.1
327.15891	67.0
345.17081	43.0
362.08038	5.0
363.17984	100.0
377.10431	23.2
405.09836	12.1
405.19031	3.9
423.11313	38.1
423.20013	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
65.74012	0.3
75.04456	0.7
77.12072	0.3
80.48672	0.3
83.53057	0.3
91.05481	0.4
103.05450	2.1
107.04972	0.3
122.03653	0.5
123.04369	0.5
131.04919	13.4
135.51691	0.4
137.05972	100.0
151.07550	2.5
163.07527	29.2
166.06290	0.8
175.07562	1.7
179.07040	0.7
181.08601	1.8
193.08549	0.5
211.09679	4.7
237.11179	18.3
255.12228	16.9
271.06128	0.4
377.11993	0.5
423.12729	2.5
423.19739	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	423.2014
Annotation	Maoecrystal I
Peak:m/z	Relative Intensity
51.91983	4.6
54.89278	4.1
66.26446	4.0
79.05466	10.1
81.07074	8.3
90.78416	4.6
93.07050	25.9
95.04951	8.4
95.08579	7.6
105.07037	42.3
107.04967	19.5
107.08592	11.2
109.06518	11.4
121.06516	22.6
121.10133	64.4
123.04465	5.4
123.08031	9.1
129.69255	5.1
131.08595	5.6
133.06508	24.8
133.10190	9.0
137.05945	6.4
137.09531	5.0
139.07553	5.8
147.08046	8.5
149.05948	9.5
149.09607	78.9
151.07552	16.7
157.10199	7.7
159.08035	23.0
161.09622	11.2
163.07550	6.4
169.08591	6.9
173.09592	5.8
175.07416	6.7
175.11223	7.3
177.09068	21.7
185.09587	17.7
187.11237	9.6
193.10083	6.1
195.11778	7.4
203.10722	8.6
211.11331	5.7
235.14725	6.5
237.12778	6.8
239.14282	6.4
248.11938	8.2
248.49724	5.0
249.12772	5.7
252.49460	4.9
263.14386	28.1
271.06082	7.3
281.15341	18.3
291.13834	9.6
309.14847	38.6
327.15860	37.2
345.16956	27.0
378.70392	5.6
387.18021	16.8
405.19180	39.4
423.10889	8.4
423.20084	100.0
423.29077	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	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
54.12740	0.6
66.82629	0.6
67.05504	0.8
69.71912	0.6
99.59293	0.7
109.10209	0.9
131.10521	0.7
145.84160	0.7
191.52911	0.7
222.77759	0.6
376.28418	0.7
423.23514	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	423.2741
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
51.41551	1.8
55.05515	7.9
57.07072	2.0
60.34788	1.7
60.65495	1.6
61.25569	1.6
63.58328	1.8
67.05504	52.8
67.05854	1.9
68.70618	1.7
69.07071	22.0
71.04989	2.6
77.74677	1.8
79.05482	13.3
81.07060	65.2
82.79132	2.1
83.08633	14.8
85.06525	2.2
91.05469	3.8
93.07024	26.7
95.08604	65.8
95.09209	2.9
97.06514	7.3
97.10160	11.0
97.74155	1.9
99.85031	2.1
105.07032	7.1
107.08580	18.9
109.10145	41.7
111.08074	2.5
119.08571	10.0
121.10124	20.3
123.08092	2.0
123.11723	20.8
127.03909	100.0
131.08582	2.9
133.10146	9.6
135.11694	14.2
139.03911	35.8
145.10135	4.8
147.11687	9.7
149.09648	3.7
149.13232	4.3
153.01814	51.4
159.11636	2.7
161.13251	8.2
163.03917	2.1
165.05472	7.9
169.73959	2.1
173.13277	2.6
177.16388	3.6
231.74617	2.0
261.22015	17.5
265.14368	2.4
279.23145	57.3
281.14041	2.4
297.24234	23.7
387.24951	3.0
405.26056	15.8
423.21930	3.0
423.27411	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	423.2893
Annotation	Remangilone B
Peak:m/z	Relative Intensity
55.05507	3.9
57.07053	0.7
61.16636	0.6
64.35646	0.6
67.05510	0.6
69.07053	4.1
79.05477	0.9
80.03036	0.6
81.07060	7.4
83.08624	13.0
89.15994	0.7
93.07015	3.3
95.08612	7.6
103.61526	0.8
105.07007	2.5
107.08581	0.9
109.10139	1.7
111.08076	5.5
121.06512	1.0
121.10114	3.3
123.11707	10.3
131.08522	2.6
133.10088	2.7
135.11633	1.6
143.08585	1.2
145.10114	4.8
147.08060	0.9
155.08530	1.3
157.10179	2.5
159.11679	3.0
161.09598	1.2
161.13263	0.8
169.10150	1.3
171.08051	4.2
171.11780	1.1
173.09628	3.9
173.13289	5.1
181.10019	0.8
183.11662	3.2
187.11162	1.1
189.09129	1.0
191.10661	2.8
193.10088	1.5
195.11693	0.8
197.13222	5.0
199.11073	0.8
199.14911	0.7
201.12726	0.9
207.11748	1.1
209.13188	1.5
211.11182	3.1
211.14847	0.8
213.12740	3.3
217.12476	0.8
221.13203	1.6
223.11137	0.8
223.14622	0.9
225.12711	5.2
225.16229	0.8
235.14838	3.9
237.12730	2.5
237.16411	1.0
239.14333	3.0
241.15866	1.3
247.14798	1.1
249.16389	1.2
251.14368	0.9
253.15874	15.4
255.17300	1.0
263.14313	1.5
265.15906	2.7
265.19382	0.8
267.21042	2.7
277.15811	0.8
279.17450	0.8
281.15363	2.8
283.16949	4.7
289.15851	1.0
291.17340	1.1
293.18927	3.1
295.20438	0.9
297.18350	1.0
299.16553	4.3
301.18073	8.4
311.19983	11.4
317.19009	1.2
321.18567	0.7
325.17978	1.3
327.19601	1.4
335.19983	2.5
339.19565	6.0
353.21072	7.9
354.22156	1.2
367.22778	3.0
387.27136	1.5
402.40167	0.8
405.27945	4.7
423.28931	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	423.2894
Annotation	Remangilone B
Peak:m/z	Relative Intensity
50.73253	0.6
55.01874	1.7
55.05505	5.2
55.55747	0.7
56.49277	0.7
56.55516	0.8
57.03424	3.4
57.91581	0.7
63.13233	0.6
67.05506	1.5
69.03416	5.5
69.07068	13.1
71.08643	0.8
72.71992	1.0
73.02914	7.1
79.05470	1.0
81.03438	1.0
81.07056	8.1
83.08619	4.4
85.02904	16.9
91.05470	1.3
93.07052	4.2
95.04911	0.8
95.08595	6.5
97.02885	8.3
105.04475	0.8
105.07020	4.0
107.04990	0.8
107.08596	5.1
109.02872	1.1
109.10159	3.4
111.08080	1.1
111.11726	3.1
115.03908	5.0
119.04979	0.9
119.08575	5.3
121.06518	1.0
121.10147	5.4
123.04411	4.1
123.08030	1.5
123.10859	1.1
123.11678	10.4
127.03924	4.5
131.08569	3.4
132.12283	0.8
132.94588	0.9
133.04984	1.8
133.10126	5.1
135.04399	1.7
135.08044	1.1
135.11679	1.8
137.05962	4.1
139.03946	1.3
143.08539	1.0
145.04977	4.4
145.10077	7.3
147.04391	1.7
147.08078	1.8
147.11694	2.0
149.13298	1.0
151.03893	3.7
153.05429	1.0
155.08556	1.3
157.10138	1.8
159.08012	1.2
159.11691	3.1
161.09694	1.5
161.13321	0.8
163.03940	1.9
163.06027	1.4
169.10078	1.9
171.04218	0.9
171.11668	4.8
173.09624	3.3
173.13237	1.5
175.11130	1.3
175.14914	1.0
181.10097	1.1
182.11008	0.9
183.11665	3.3
185.13217	1.5
189.09183	1.3
190.53488	0.9
191.10728	3.8
195.11732	1.4
197.09633	1.5
197.13246	8.4
207.11896	1.1
209.13289	1.5
211.11060	1.1
211.14790	1.9
211.22392	1.1
213.12866	1.2
215.17903	1.1
221.13205	1.2
225.12779	2.0
225.16486	1.4
231.13919	1.0
233.13307	1.2
235.14853	1.7
236.23338	0.8
239.14171	1.0
240.65376	0.8
247.14948	1.6
251.14363	1.4
253.15904	1.8
257.04471	1.6
259.08282	1.2
265.15820	0.9
267.21066	1.9
271.06003	5.4
271.13403	1.4
281.15292	1.1
283.17044	1.6
295.20630	1.3
299.16364	1.9
301.18033	5.6
303.17633	1.1
317.18823	1.3
321.18344	1.2
325.18018	1.4
327.19635	3.2
337.34406	1.0
339.19598	4.5
353.21185	9.4
354.22000	6.2
367.22650	1.9
377.10202	1.1
405.27887	5.1
423.10321	5.9
423.28976	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03435	1.3
58.77137	0.9
66.72852	1.3
67.05486	5.2
69.07052	7.6
71.04991	1.4
79.05486	1.9
81.07057	11.7
83.08614	2.7
89.54290	1.0
91.05478	1.2
93.07032	6.2
95.08605	12.1
97.10166	1.9
107.08591	8.4
109.06496	2.6
109.10174	5.4
117.77176	1.2
119.08562	5.1
121.06493	1.2
121.10149	5.3
123.08072	40.0
123.11693	4.9
131.08540	1.3
133.10109	5.0
135.07961	4.0
135.11707	2.0
135.91071	1.1
137.09576	1.6
145.10042	1.5
147.11690	2.4
149.09612	1.9
149.13246	1.8
159.11676	2.5
161.13268	1.3
163.11154	1.8
175.14888	1.2
177.12753	6.1
179.14284	26.1
208.43852	1.1
215.08737	1.1
275.20047	7.5
281.21182	1.3
289.25497	1.1
293.21045	4.2
300.88449	1.2
303.26880	2.2
331.26282	19.5
349.27310	2.7
405.30142	1.4
423.31055	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	424.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	13.7
77.49655	1.2
89.35257	1.3
90.47826	1.2
111.18888	1.2
114.37856	1.4
120.21437	1.3
146.04468	1.9
166.08673	1.6
167.06761	100.0
168.05142	2.1
177.31482	1.3
190.08650	1.3
193.04726	5.0
193.08318	2.4
203.06764	7.6
205.08498	6.5
221.07762	2.7
223.05780	5.0
231.03934	1.8
231.06235	48.7
231.08177	2.0
233.07863	1.7
248.08864	5.5
249.07297	5.4
294.09512	5.9
360.14114	5.5
393.40533	1.4
406.14682	34.2
413.63611	1.3
424.15781	53.5
437.43579	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	424.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94909	0.3
53.56727	0.3
57.70471	0.4
61.28741	0.3
65.60902	0.3
70.06585	0.4
71.98486	0.3
73.68929	0.3
84.86031	0.3
87.33221	0.4
91.05486	1.6
95.58389	0.3
114.34619	0.4
115.77270	0.4
119.04921	4.6
133.65378	0.3
136.31929	0.3
147.04405	100.0
190.37527	0.4
291.08566	0.9
309.09625	5.0
424.11374	0.7
424.16110	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	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14905	0.5
53.10443	0.5
55.04634	0.6
70.06593	46.9
83.88743	0.5
85.02914	1.2
88.62749	0.5
97.02913	0.8
98.06042	0.7
109.02902	4.1
112.07598	100.0
115.07600	0.8
116.07079	1.2
121.10142	1.0
127.03900	0.8
137.09630	0.7
140.07057	36.6
158.08115	10.4
209.15508	2.4
266.10294	2.3
284.11240	22.7
302.12280	6.7
302.80560	0.6
388.16159	0.8
406.16919	0.8
424.12463	1.3
424.17795	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	424.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56015	0.8
62.75948	0.8
75.86598	0.8
75.87022	0.9
100.58051	0.8
121.02870	1.1
132.89438	0.9
159.14632	0.9
159.31802	0.9
170.95308	1.0
191.28838	1.0
278.57352	1.0
306.12357	20.0
307.13116	1.5
320.13904	43.0
320.17700	1.5
321.14697	3.7
331.13089	12.2
332.13925	4.2
334.15353	3.4
347.12628	4.3
348.17020	35.0
360.17020	15.6
362.18582	30.3
376.16525	49.0
378.18088	49.6
406.17584	60.2
424.18631	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.6
67.30640	1.1
68.89116	1.2
69.03419	2.3
69.07062	4.9
69.96718	1.2
71.04994	9.6
79.05489	1.2
80.86192	1.1
81.03413	1.7
81.07066	7.3
84.04492	1.5
85.02895	10.4
85.06518	1.7
87.04459	8.1
89.06027	2.3
93.07033	7.8
95.08596	6.2
97.06521	2.8
99.04449	2.0
99.08082	4.8
101.06003	1.7
105.07034	4.4
107.08595	11.8
109.02852	2.3
109.06525	12.3
109.10159	5.2
111.04421	2.1
115.07567	11.7
121.10140	39.3
123.08112	1.6
123.11720	16.7
127.03931	1.6
132.10173	1.4
133.10130	10.0
135.08087	1.4
135.11720	1.7
137.09630	2.9
139.11168	8.8
145.04976	1.7
145.10120	2.4
147.04396	8.2
147.11708	12.3
149.09633	17.5
149.13243	1.9
151.11185	5.2
153.09100	10.1
162.24464	1.2
163.14801	2.8
164.07088	1.9
165.12698	8.6
167.10764	1.6
173.13237	2.8
191.14304	11.8
209.15355	100.0
227.16431	11.7
424.15720	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11362	2.1
58.47674	2.0
72.39198	2.3
92.18473	3.5
98.97576	4.1
111.89274	2.4
119.01940	5.2
143.01895	83.7
144.62891	2.5
145.03453	10.1
146.39888	2.5
155.01869	19.8
161.02937	100.0
161.34300	2.4
167.01855	22.0
169.03474	10.6
173.02950	19.7
184.04498	3.2
185.02934	58.9
187.04451	3.3
203.03996	34.2
212.99217	10.2
215.04160	2.3
227.03926	44.8
231.00232	11.0
239.04121	2.8
240.98743	3.6
243.00259	3.4
245.05048	61.1
249.01570	2.5
255.00247	4.3
261.01468	2.7
263.06039	20.9
269.01947	3.9
269.05429	3.4
272.97272	2.7
273.01434	13.3
274.97470	3.0
286.20230	2.6
287.02866	2.5
303.02252	32.4
305.07083	13.1
317.03915	11.3
317.96268	2.5
321.03189	4.1
365.05768	41.6
383.10306	21.8
425.07605	23.4
425.11484	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.73766	0.3
51.62367	0.3
67.37870	0.3
67.73415	0.3
70.06600	0.3
71.04961	0.4
81.03407	0.4
83.08672	0.4
84.80644	0.3
85.02873	0.7
85.06532	4.0
91.05443	0.6
97.02872	0.5
99.04378	0.4
100.91268	0.4
116.07074	0.5
124.03941	0.8
124.85306	0.4
127.03905	0.5
145.08517	1.4
147.04337	2.0
148.81395	0.3
163.03853	0.4
180.07062	0.4
182.44066	0.4
245.04332	1.8
257.04410	0.8
271.11588	0.5
287.05478	0.5
293.09976	4.0
389.17221	0.5
407.07385	0.6
425.14032	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	425.142
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
82.32245	0.7
86.49388	0.8
86.49905	0.8
111.00775	0.9
113.17425	0.7
121.36192	0.8
123.04420	0.9
129.05460	0.8
136.74469	0.8
137.02269	0.8
221.86751	0.8
229.04939	0.9
245.04402	4.4
257.04352	4.3
329.56381	0.8
332.76926	0.8
379.08115	3.0
407.07648	4.3
425.09033	5.4
425.14114	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	425.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40291	0.4
55.33169	0.5
56.78272	0.4
58.90629	0.6
69.03420	1.1
69.31610	0.5
81.03397	3.4
81.04560	3.9
81.04947	0.6
82.05302	1.2
85.02897	1.1
95.04964	0.7
95.06083	6.5
97.02876	2.3
103.28429	0.5
105.03390	25.9
109.02871	3.0
111.05563	39.1
122.97430	0.5
123.04466	2.5
123.05540	24.6
125.07127	1.0
127.03946	0.7
139.03877	0.8
141.06584	100.0
149.98526	0.6
159.07639	35.1
167.07747	0.5
171.92117	0.5
182.87474	0.6
198.55849	0.5
203.03452	0.7
245.04398	2.5
249.07603	1.0
257.04428	0.6
287.05533	0.9
319.71701	0.6
407.07938	1.2
407.14487	4.5
425.08737	4.0
425.15479	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77752	1.1
68.99807	1.3
111.00803	7.0
111.93752	1.2
123.04423	3.0
135.04428	5.0
137.02350	1.7
138.09792	1.2
139.03769	1.4
147.04446	1.2
163.03876	5.9
175.03871	1.4
177.05414	5.2
179.03386	9.2
180.09883	1.2
187.19998	1.4
187.66599	1.4
191.03383	5.3
198.11032	1.4
203.03404	9.5
245.04433	21.7
257.04462	12.2
263.05432	2.6
269.04431	2.0
273.07620	1.9
287.05460	2.5
295.06299	1.8
379.08151	22.4
380.86465	1.4
389.06238	1.6
407.07458	21.3
425.08728	28.3
425.15695	100.0
425.21252	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	425.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28933	0.6
55.39474	0.6
55.97331	0.7
69.30839	0.6
73.04000	0.7
81.07056	0.7
83.04933	0.8
92.95950	0.6
93.07018	0.9
98.14957	0.6
107.04949	15.8
108.08218	0.7
109.02862	4.1
115.82891	0.8
119.04932	3.6
120.97011	0.6
121.02817	0.7
121.13519	0.7
123.04417	53.5
135.04472	1.1
135.08052	15.2
137.05975	1.7
139.03894	1.6
143.04918	1.5
147.04405	25.2
151.03925	5.0
161.05951	7.7
163.03877	3.0
163.07503	1.0
164.46870	0.7
165.05450	14.8
167.07034	4.0
177.05408	0.8
179.07019	100.0
189.05447	1.4
191.07085	4.7
197.30463	0.7
203.07069	1.5
207.06505	11.0
209.08105	5.6
237.86546	0.7
251.23605	0.6
257.04367	0.9
273.03906	0.7
273.11191	1.6
273.14603	0.8
313.10895	2.3
331.11734	41.3
425.15979	16.7
425.20981	3.5
425.26129	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10199	1.1
81.03416	15.4
108.36201	1.2
111.00873	1.4
119.04948	1.4
121.06522	1.4
123.04472	2.3
130.04161	2.0
131.04892	1.4
133.06508	1.7
137.06012	7.3
147.04454	7.2
161.06033	6.1
162.06754	12.1
163.03902	4.7
163.07591	1.7
177.05380	1.6
191.03566	1.4
194.28984	1.3
199.07524	1.5
202.74425	1.3
204.07651	6.4
217.08482	1.6
229.05037	2.0
245.04445	11.6
257.04416	31.1
282.20547	1.5
283.09674	1.5
287.05515	1.7
379.08081	1.8
407.07599	3.0
407.15170	5.4
425.09311	17.7
425.17825	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	425.2155
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
56.31526	0.5
59.85303	0.5
69.07038	0.7
81.07057	1.1
83.04980	1.0
91.05473	0.7
93.07047	1.3
95.04939	2.6
95.08559	0.9
99.20038	0.6
105.07039	2.5
107.04947	4.7
107.08557	1.0
109.02759	0.6
109.06566	1.1
121.01242	0.7
121.06445	0.8
121.10110	1.3
123.04424	15.2
123.08050	1.1
131.08563	0.8
133.06464	1.5
133.10089	0.9
135.08049	5.1
137.09618	0.8
145.10092	0.9
147.04413	8.2
147.08057	0.9
149.05972	1.3
149.09615	0.8
151.03947	1.4
151.07558	2.2
161.05922	2.8
161.09590	0.9
165.05461	5.0
166.00883	0.6
167.07022	1.0
171.11681	0.8
177.63538	0.6
179.07025	25.7
183.11646	0.6
191.06956	0.7
197.13275	0.8
207.06514	2.9
209.08054	1.1
263.16144	1.5
265.15851	1.2
267.13885	0.8
269.15329	0.9
271.43057	0.7
283.16830	0.7
311.16422	1.3
329.17490	1.1
331.11804	13.9
407.20523	1.5
425.16293	4.6
425.21445	100.0
431.17938	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	425.2897
Annotation	Muqubilone
Peak:m/z	Relative Intensity
54.59206	3.2
55.05521	27.9
57.07072	24.3
58.76407	3.2
67.05506	35.8
69.07076	50.0
71.08635	24.3
71.54794	3.3
74.45807	3.3
75.45654	3.4
79.05490	5.7
81.07053	60.4
83.08623	33.0
85.10196	5.0
88.87115	3.7
91.05459	4.5
93.07036	19.0
95.08611	50.8
97.10158	21.4
97.65900	3.9
105.07050	5.8
107.08587	15.7
109.10136	32.0
111.11699	6.1
118.42827	3.2
119.08590	6.6
121.10132	6.9
123.11694	7.8
127.03908	73.8
128.15315	3.2
133.10159	6.4
135.11682	4.3
137.13353	3.6
139.03932	42.5
141.12794	4.2
147.11699	15.3
153.01830	100.0
165.05490	13.7
165.12733	4.8
180.58766	3.7
181.04915	5.9
245.22607	15.6
263.23749	25.2
281.24762	19.1
299.25818	23.3
371.26025	6.4
389.26660	31.7
407.27661	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	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01879	4.4
55.05503	12.5
57.03431	4.4
57.07086	5.5
65.17921	1.9
67.05505	60.7
69.03421	8.6
69.07066	18.8
71.04978	3.9
71.08627	3.2
73.02917	3.6
79.05494	20.8
81.03417	9.2
81.07062	65.7
83.08621	19.2
85.02890	2.7
91.05476	15.6
93.07043	20.8
95.04911	2.3
95.08607	51.4
97.02886	100.0
97.06518	2.3
97.10155	12.2
99.04453	42.0
105.07014	4.2
107.08577	16.2
109.02874	12.9
109.10181	22.1
111.11725	2.4
119.08548	10.9
121.10139	10.0
123.11710	13.9
127.03930	31.5
133.10136	11.7
135.11717	8.4
139.60974	2.2
145.04973	15.9
147.11720	4.9
149.13277	3.4
161.13225	3.3
163.14729	2.5
175.14847	5.2
203.21024	2.4
245.22604	8.3
263.23657	38.4
371.13638	2.3
371.25888	2.6
407.27780	4.0
425.28763	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	425.305
Annotation	9(11)-Dehydroaxinysterol
Peak:m/z	Relative Intensity
55.05502	2.9
64.50243	1.2
67.05501	1.9
69.07056	3.2
71.08591	1.2
79.05495	1.9
81.07034	6.9
83.08607	8.5
93.07034	3.2
95.08595	13.0
100.39001	1.4
105.07018	6.7
107.04975	2.0
107.08588	22.4
109.10146	8.7
117.07000	1.4
119.08555	5.7
121.06461	2.4
121.10126	2.4
123.04448	1.8
123.11707	6.1
131.08557	2.6
133.10162	4.5
135.07973	1.5
135.11629	1.3
139.03888	2.9
143.08560	3.0
145.10130	7.8
147.08073	2.7
147.11664	3.1
151.03937	1.4
155.08554	2.2
157.10146	5.7
159.08006	1.7
159.11697	3.0
161.09607	2.8
161.13225	2.2
171.08009	2.2
171.11749	2.4
173.09615	8.7
173.13301	2.3
175.14880	1.7
179.86246	1.4
181.10100	1.8
185.13216	2.9
187.11163	2.0
189.09123	7.3
191.10657	9.2
197.09618	1.5
197.13205	2.1
199.14836	5.0
207.10164	2.0
209.11574	2.0
213.12752	5.2
223.11249	1.3
225.12906	1.5
227.14230	2.5
231.13802	6.1
243.13867	1.6
249.14690	10.9
257.08112	8.4
265.15692	1.6
273.03912	12.5
281.18845	1.5
288.17209	1.5
301.17978	7.0
319.20624	2.6
323.20062	1.5
327.19592	1.8
328.20416	5.7
337.21585	6.2
341.21054	13.0
342.21854	1.8
355.22638	29.1
369.24011	1.4
407.29465	6.3
410.28317	5.1
425.07675	2.1
425.12326	6.7
425.30493	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	426.1185
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
58.63775	0.5
62.99543	0.4
64.88580	0.5
79.36324	0.4
84.08103	0.5
97.02863	0.6
97.47914	0.4
123.04426	8.2
133.01947	0.7
133.02849	14.3
135.43266	0.5
138.05487	35.8
139.03966	1.5
151.03886	11.3
195.01237	0.5
200.07076	0.9
226.05025	0.5
228.06493	9.1
256.05978	6.1
258.07602	2.7
270.07660	2.0
288.08627	100.0
341.90875	0.5
385.05807	0.7
418.17389	0.6
426.11795	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93254	0.9
72.04502	2.0
78.03783	4.5
79.31338	0.9
85.86198	1.0
88.02187	2.4
98.02411	1.5
102.03773	8.2
103.02162	4.4
103.05436	2.5
106.06551	25.7
114.03728	6.7
114.05513	15.3
115.05032	2.0
120.04801	6.5
124.07523	1.2
130.03230	1.3
131.04922	100.0
131.06328	2.9
132.04767	8.1
141.06592	1.9
142.08626	2.7
147.04439	2.0
147.05843	7.0
149.07422	26.7
158.02686	2.3
159.05867	6.9
175.05333	8.3
184.09720	1.7
191.08467	21.0
202.08614	18.3
261.12769	9.6
279.11533	8.0
296.14230	47.5
303.13736	6.3
408.19379	6.2
426.09155	1.2
426.15045	6.3
426.20688	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75726	0.5
57.07087	4.4
60.04011	0.5
80.75561	0.6
83.04987	0.7
88.07623	8.3
101.19562	0.6
105.07078	0.7
119.08600	0.9
119.41215	0.6
121.06503	0.7
121.10133	8.8
133.06473	0.9
133.10132	4.0
147.11674	10.0
151.11198	0.8
166.20149	0.7
174.04398	0.6
175.11188	13.8
180.55214	0.7
283.16910	100.0
338.09406	0.7
339.23178	54.2
426.19711	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	426.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06195	0.3
57.07084	4.5
62.14788	0.4
76.95682	0.4
88.07624	9.0
93.07043	0.6
97.06494	0.6
105.07029	0.8
111.83715	0.4
119.08552	1.8
121.06491	0.9
121.10152	7.6
126.57155	0.5
133.10149	3.4
147.11668	8.2
151.11154	0.7
163.11174	0.5
175.11168	12.9
177.12721	0.4
200.32245	0.4
283.16907	100.0
339.23157	50.2
374.09061	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	426.3003
Annotation	Veralodine
Peak:m/z	Relative Intensity
51.74743	0.3
57.07081	4.8
66.76728	0.4
67.80496	0.4
70.54801	0.4
71.67245	0.4
88.07629	9.1
105.07002	0.7
119.08578	2.7
119.92616	0.4
121.06472	1.6
121.10136	9.4
133.10143	4.3
147.08011	0.5
147.11678	10.4
151.11313	0.4
163.11160	0.5
175.11166	13.5
177.12752	0.6
275.15277	0.4
283.16916	100.0
329.74643	0.4
339.23175	51.2
426.29929	0.7
428.75418	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	427.1024
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
56.02943	1.6
66.70612	1.6
68.99798	2.0
70.06591	3.2
72.08146	3.5
89.76820	1.8
93.80864	2.0
111.00825	2.4
123.04419	57.4
127.03867	4.3
135.04382	9.8
139.03905	100.0
142.25885	1.8
147.04419	3.5
151.03941	4.3
161.05989	4.5
163.03925	37.0
165.05479	8.6
167.03392	9.6
175.03912	7.1
177.05415	3.5
179.03360	7.1
187.03867	2.9
189.05466	4.4
191.03386	54.9
193.04965	4.4
201.05461	3.3
203.03371	22.9
205.05023	4.0
213.05437	3.0
215.03592	3.1
217.05081	2.1
229.04926	23.4
231.06465	2.7
233.04514	23.8
241.04955	4.0
243.06535	2.1
245.04321	18.2
247.05992	28.9
251.05579	2.5
255.06477	10.6
257.04404	43.4
259.06042	26.3
269.04651	4.7
271.05914	10.9
275.05426	37.4
283.05917	16.2
287.05453	58.0
289.06970	9.5
299.05643	2.2
301.07047	24.2
312.15625	2.1
409.09167	47.3
427.10318	26.0
427.15002	3.8
427.19672	10.5
449.04410	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	427.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30471	2.8
84.91141	5.7
98.97578	7.7
128.72112	3.3
143.00185	5.3
158.99669	6.2
161.01143	3.7
170.99811	4.5
173.01137	4.5
177.00731	7.8
191.02165	4.1
201.00752	6.9
219.01752	7.2
227.92247	3.6
233.04250	100.0
234.05049	4.3
242.03603	3.5
243.05635	6.8
247.01250	7.3
251.04303	63.0
253.07693	4.5
265.02536	4.4
269.05392	52.0
277.07654	54.6
295.08768	12.3
303.09204	5.1
307.03439	5.4
307.08719	5.7
337.04254	4.9
409.11752	5.8
427.11066	77.4
427.17410	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	427.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98251	0.7
66.20361	0.7
66.76493	0.7
68.17521	0.8
69.07049	0.8
70.95839	1.0
72.93771	0.9
81.07047	1.5
88.03928	0.8
95.08547	0.8
107.08597	0.9
109.10123	4.6
114.05878	0.7
119.08550	1.4
123.08094	0.8
124.03951	1.1
131.31909	0.8
132.95790	1.4
133.10109	1.0
135.11685	3.2
137.05936	1.0
144.95796	1.6
145.10121	0.9
158.97397	9.1
159.11623	1.1
162.96782	1.2
167.29599	0.8
168.95818	1.2
175.14838	1.3
176.98384	1.0
186.96861	1.5
191.10852	0.8
193.03084	3.6
195.00935	0.8
211.04126	1.8
211.11281	0.9
213.12839	0.8
216.97925	9.9
227.03200	0.8
234.96771	1.5
234.98976	23.7
236.01175	1.3
237.83223	0.8
247.07674	1.0
253.00095	0.9
259.14322	1.5
260.14651	3.8
265.08826	25.7
269.04675	3.3
281.08359	6.2
283.09894	39.7
301.10898	1.4
301.17938	3.4
307.09955	5.3
319.09900	10.8
325.10745	8.3
331.18811	1.7
333.11395	1.2
337.10944	13.5
353.21091	1.5
409.13177	3.4
409.22488	1.1
409.27341	4.8
427.14087	100.0
427.19351	6.3
427.28482	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	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57121	0.3
55.05515	0.5
58.46996	0.2
59.05004	0.3
61.04203	0.2
64.13640	0.3
69.07054	0.6
76.90793	0.2
79.83538	0.2
83.08621	3.0
85.02917	0.4
95.89957	0.2
101.06015	1.4
102.09830	0.2
109.02860	0.5
111.08050	1.1
123.04379	0.5
127.03895	0.5
129.05440	0.5
129.09113	5.3
139.03856	0.3
147.06429	0.3
150.07745	100.0
275.05615	0.4
282.12021	0.6
295.11505	29.1
409.09314	0.3
409.22321	0.5
427.19473	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	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25922	0.7
56.32052	0.8
69.19509	1.0
71.35779	0.7
82.65999	1.0
107.21569	0.8
123.04389	3.7
139.03880	3.5
140.04202	0.8
147.04320	1.3
163.03868	1.9
185.04144	5.7
191.03433	1.4
203.10355	6.0
205.08057	0.9
210.07872	1.1
230.41542	1.0
245.04384	1.1
257.04315	3.7
265.10416	20.0
275.05536	1.2
283.12143	1.4
287.05457	1.9
365.15652	3.7
427.16241	100.0
441.92682	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	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46104	0.6
70.46831	0.6
75.84954	0.5
98.57970	0.6
98.78854	0.6
164.12889	0.6
176.29387	0.6
203.10278	0.7
221.74713	0.6
227.70541	0.6
246.11345	0.8
247.11481	1.2
253.11208	0.8
265.07086	1.3
265.10187	1.7
283.12097	0.9
427.17203	100.0
451.73563	0.6
454.62439	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	427.1962
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
69.03419	8.7
69.07069	13.6
79.05486	1.5
80.98954	1.3
81.07036	2.2
83.04984	8.8
85.02906	1.4
91.05477	1.8
93.07052	2.3
95.04959	3.0
95.08584	2.1
97.02900	2.0
97.06503	3.6
105.07031	2.2
107.08578	7.7
108.72679	1.4
109.02871	11.4
109.06510	3.4
109.10161	1.6
109.57052	1.6
111.04451	2.1
119.08549	6.2
121.06493	19.3
121.10171	2.0
131.08514	4.5
133.10132	7.7
135.08038	27.2
137.05952	2.3
143.08548	2.4
145.06422	1.6
145.10104	2.9
147.08008	1.6
149.09602	7.9
150.10371	2.5
151.11273	1.4
159.08008	5.7
159.11642	11.4
161.09566	2.3
163.07510	15.5
163.11182	2.7
171.08003	1.5
172.08893	1.9
173.09641	13.3
173.13234	30.3
173.14632	2.2
177.12698	2.3
183.11716	6.6
185.13176	2.2
186.10460	2.3
187.11160	44.0
189.09145	1.6
191.06967	7.0
191.10770	1.9
196.08694	1.9
197.13135	1.6
201.12752	36.2
205.12196	9.8
211.11172	5.9
219.13794	6.4
229.12210	33.6
247.13243	100.0
265.14313	9.0
301.18054	1.8
409.27417	1.9
427.19446	20.3
427.28421	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	427.2328
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
55.05506	3.1
69.03417	9.8
69.07046	4.5
71.50327	2.1
79.05497	2.4
81.07034	2.6
91.05475	4.2
93.07025	11.2
95.04990	3.8
95.08593	6.0
95.26563	2.5
97.06532	5.6
105.07016	16.2
107.08593	18.1
109.06470	5.3
109.10152	3.9
117.07043	3.4
119.08575	5.7
121.06469	9.4
121.10130	10.4
123.08065	16.1
125.09599	4.3
131.08574	10.9
133.10129	12.3
135.08032	4.9
135.11673	4.3
137.09615	5.1
139.07547	3.2
143.08562	14.0
145.06517	4.5
145.10130	17.4
147.08025	10.2
147.11705	5.4
149.09598	3.9
151.07491	4.0
155.08528	5.6
157.10109	12.5
159.08058	11.8
159.11678	11.3
161.09621	10.9
163.11259	4.2
169.10141	12.4
171.08012	3.6
171.11725	6.2
173.09607	15.6
173.13220	4.6
175.11220	2.8
179.10661	5.0
181.10138	4.2
183.07994	3.0
183.11667	10.3
185.09625	5.5
187.07484	2.9
187.11200	12.1
191.10648	2.8
194.59340	2.7
195.11703	4.5
197.09644	4.3
197.13329	3.7
199.11179	5.4
199.14868	4.6
207.11810	3.5
209.09593	4.0
209.13210	3.1
211.11169	4.6
211.14920	3.8
211.41426	3.2
213.12663	4.1
215.10689	10.8
215.14186	2.8
223.11139	3.3
225.12627	8.8
227.14261	4.5
233.11696	4.7
241.15804	3.1
243.64867	2.6
249.16370	3.1
254.90050	2.6
271.16785	2.8
285.18546	5.4
313.17972	17.0
331.19016	100.0
349.20090	9.8
388.73270	2.4
391.21204	4.6
409.22180	77.8
427.23108	14.3
427.28033	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	427.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67757	2.5
54.48218	3.0
56.64132	2.6
57.07075	28.2
62.93897	2.4
67.05491	5.5
72.17056	2.8
75.71064	2.6
79.05487	5.6
81.07021	6.0
83.08607	3.8
91.05482	12.2
93.07029	24.6
95.08585	13.3
105.07023	19.5
107.08577	19.0
109.10127	3.4
117.06989	5.2
119.08570	26.6
121.10144	17.5
129.06902	3.6
130.07825	3.6
131.08557	23.6
133.10104	12.6
142.07765	4.8
143.08568	27.2
145.10118	58.8
147.11714	3.5
155.08530	5.3
157.10112	17.2
159.11597	21.8
161.09566	7.1
167.08540	12.2
169.10086	13.4
171.11676	18.5
173.13300	6.3
179.08629	4.3
181.10080	13.2
183.11719	13.0
185.13261	5.2
193.10071	4.4
195.11696	19.0
197.13220	7.2
207.11775	4.5
208.12497	4.8
209.13287	31.3
221.13420	4.8
223.14758	29.5
235.14854	3.6
250.17151	5.8
265.19507	100.0
283.20566	21.6
285.06570	3.4
324.32770	4.8
325.21536	16.0
343.22571	4.9
367.26208	3.5
427.28613	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.00707	1.0
60.10803	1.1
61.49365	1.0
66.64529	1.0
67.05491	1.7
68.82966	1.2
69.07070	48.9
78.65340	1.2
79.05485	2.5
81.07056	8.3
89.94607	1.2
93.07032	4.9
95.08589	3.0
97.06540	12.6
99.08073	6.1
105.07002	2.3
107.08595	5.3
109.06481	1.9
109.10165	8.1
114.62593	1.2
119.08613	1.7
121.10135	2.2
122.96268	1.4
123.08057	2.1
125.09633	2.4
127.11210	1.8
131.98300	1.2
133.10167	2.2
134.65253	1.3
137.05945	1.5
143.08533	1.8
145.10147	9.9
147.08014	4.6
147.11687	4.7
149.09631	1.6
155.08559	1.4
159.08040	2.1
159.11711	1.2
161.09573	4.9
162.64911	1.2
169.10086	1.8
171.08037	5.7
173.09608	10.3
173.13246	8.0
181.10089	1.7
183.11606	1.7
187.11047	1.6
189.09128	8.0
191.10664	11.2
195.11598	2.0
197.13315	6.3
199.11264	1.9
201.16396	2.6
207.10127	4.8
209.09567	1.7
209.11623	2.6
213.12773	2.0
223.11099	1.8
225.12694	5.7
227.14374	2.2
231.13753	2.5
239.14436	2.4
249.14833	2.6
253.15886	2.1
254.68576	1.3
255.17329	6.3
265.15894	5.2
283.16956	6.7
295.20700	2.4
299.16678	1.7
301.17923	15.3
313.21667	2.7
325.18127	1.3
331.22543	9.4
335.19977	2.6
353.21091	10.2
366.75839	1.3
371.22058	2.2
390.52640	1.3
391.26401	5.8
409.27261	29.1
427.28439	100.0
429.63647	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	427.2843
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.36864	1.1
54.09816	1.0
55.05503	7.4
63.13698	1.0
67.05497	4.5
69.00104	1.2
69.03402	2.0
69.06741	1.7
69.07073	34.3
79.05477	2.0
81.03403	2.5
81.07056	10.1
83.04966	5.3
83.08600	1.3
85.02902	8.9
87.04469	1.5
91.05457	2.6
92.17912	1.6
93.07037	8.0
95.04978	6.9
95.08598	7.8
97.02892	1.2
97.06519	7.2
97.10149	2.2
97.56213	1.2
99.04461	1.2
99.08087	5.4
101.06004	2.4
105.07035	8.2
107.08612	13.2
109.02861	1.1
109.06486	4.9
109.10179	10.2
111.08006	2.4
119.04926	1.2
119.08568	5.6
120.03773	1.3
120.32175	1.2
121.06508	5.0
121.10126	2.7
123.08051	2.7
123.11703	1.4
127.03871	2.0
131.08598	5.1
133.10135	6.0
135.08072	2.5
135.11687	2.7
137.06030	1.2
137.09686	1.4
143.08585	4.3
145.10115	17.7
147.08055	5.8
147.11655	2.9
149.09636	2.2
149.13240	2.5
151.11136	2.3
155.08522	1.6
157.10081	2.7
159.08052	5.4
159.11711	5.0
161.09615	5.4
161.13228	1.9
163.11148	4.9
165.12706	11.6
167.24092	1.3
171.08070	1.8
171.11682	2.5
173.09644	13.2
173.13228	4.6
175.11122	1.3
177.09157	1.8
183.11696	1.9
185.09544	2.0
185.13231	1.3
187.11148	2.4
189.09184	2.8
189.12776	1.8
191.10696	16.9
195.11641	1.8
197.09700	1.5
197.13252	8.0
199.11168	1.8
199.14948	1.6
201.16383	7.8
209.11703	4.6
211.11240	2.1
213.12842	1.3
219.17422	4.5
225.12735	2.3
231.13760	6.1
243.13756	1.8
247.17001	2.5
249.14774	2.1
265.15869	1.9
265.18030	22.5
267.17566	1.5
277.19446	1.2
283.16962	2.8
301.17950	8.0
313.21515	1.4
319.09857	1.4
325.18033	2.7
329.20975	1.7
331.22635	2.3
335.20059	2.8
353.21088	16.9
391.26282	2.3
396.81882	1.4
409.27362	29.8
427.19229	7.8
427.23392	9.0
427.28455	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	427.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.0
55.05517	12.7
57.03182	1.2
57.03437	10.7
57.06821	1.4
57.07082	23.8
63.59518	0.9
67.05508	15.4
69.07068	28.0
71.08633	19.1
79.05472	2.5
81.07053	28.2
83.08161	1.4
83.08626	26.5
85.06524	1.8
85.10165	11.4
90.94342	1.0
93.07030	8.1
95.08607	27.8
97.06522	6.5
97.10175	19.7
100.03085	1.2
105.07711	1.2
107.08580	11.3
109.10174	16.4
111.08064	5.4
111.11693	5.7
115.07523	1.6
121.10099	11.3
123.11683	6.6
125.09642	2.8
135.11707	12.6
139.11189	1.7
149.13283	5.2
153.12729	1.5
154.50681	1.4
159.65547	1.1
163.14813	5.0
164.90939	1.1
167.14215	1.2
258.56747	1.5
289.28821	1.2
335.29581	2.2
371.31497	14.3
400.34100	1.4
409.33328	5.0
427.34235	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	427.3573
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05520	3.3
56.30684	2.9
57.07070	15.3
61.51017	2.9
66.56001	3.1
67.35987	3.3
69.07063	16.0
71.08623	18.6
81.07043	19.5
83.08629	14.8
83.12673	3.4
85.10195	12.3
93.07031	5.2
95.08597	13.1
97.10180	6.5
107.08604	5.2
109.06543	6.3
109.10155	12.9
111.11682	4.1
119.08582	6.2
121.06507	11.9
123.08084	4.1
123.11705	6.5
135.11717	7.4
137.05968	6.4
143.08508	4.5
145.10110	3.7
147.11688	3.6
149.09671	3.2
159.08099	4.4
161.09566	3.4
173.09618	6.6
173.13177	3.5
182.87634	3.2
287.23975	3.6
367.33038	3.1
409.34766	7.0
427.35641	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	427.3573
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
52.18872	1.1
55.05516	5.5
57.07082	12.6
61.36003	1.5
67.05505	6.8
69.06800	1.1
69.07069	18.5
69.31989	1.2
71.04981	1.4
71.08640	13.9
79.05487	1.4
81.07063	20.1
83.08619	12.3
85.10172	7.8
90.87614	1.2
93.07047	9.8
95.08611	24.3
97.10145	7.3
105.07043	12.3
105.75280	1.4
107.08590	16.3
109.10151	14.6
111.11729	5.0
119.08588	7.9
121.10147	13.2
123.11686	6.9
131.08562	5.7
133.10117	12.3
135.11682	12.4
137.13272	2.3
143.08615	1.6
145.10110	23.5
147.11682	24.7
149.13242	6.2
151.14851	1.7
157.10101	2.9
159.11646	19.7
161.13287	13.4
163.11166	1.7
163.14761	2.5
165.12799	1.9
171.11696	6.7
173.13258	7.3
175.14813	3.2
177.12778	1.8
183.11649	1.8
185.13231	6.5
187.14810	6.4
189.16339	1.7
191.10591	1.6
199.14778	9.5
201.16383	7.6
205.12224	3.0
213.16394	8.1
227.17940	3.4
233.22835	2.4
236.71461	1.4
241.19536	8.1
245.15385	2.9
275.24078	1.4
287.20053	2.1
315.23413	1.7
381.35214	26.8
391.33682	2.5
399.36224	3.2
409.34836	16.7
427.29898	3.2
427.35715	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	427.3569
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
53.03919	2.0
55.05506	3.4
57.07063	11.0
67.05489	9.2
69.07075	21.2
71.08615	12.6
79.05479	3.7
81.07071	16.5
83.08599	11.7
85.10183	7.8
91.05479	2.3
91.95999	2.6
92.17870	3.1
93.07006	8.9
95.08604	24.1
97.10134	8.5
105.07022	9.4
107.08582	14.7
109.10143	20.3
117.06955	2.6
117.65706	1.9
119.08569	13.9
121.10130	11.8
123.11688	9.4
125.54229	2.0
131.08565	5.2
133.10132	12.3
135.11688	11.1
137.13147	2.3
145.10091	20.1
147.11667	26.4
149.13171	4.8
159.11713	15.4
161.13245	12.4
163.14767	3.0
171.11670	2.9
173.13264	10.4
175.14871	2.3
185.13242	3.3
187.14854	9.4
189.09134	2.2
193.12241	2.4
199.14807	3.4
201.16409	3.0
205.19687	2.5
213.16222	2.7
227.17926	2.8
233.22655	2.7
241.19498	8.6
245.15347	8.0
254.54291	2.0
255.21133	2.8
269.22525	3.1
272.99228	2.1
279.55463	2.0
357.28378	2.0
381.35107	25.3
391.33398	3.0
399.36023	10.2
409.34430	18.9
427.29974	3.8
427.35693	100.0
427.41354	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	428.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39558	1.8
58.74266	2.1
62.41448	2.0
66.64648	2.3
91.05478	13.1
105.07003	4.8
119.04932	16.3
121.06520	19.1
125.05943	5.7
131.04898	3.5
133.02823	4.4
133.06506	11.9
137.05975	29.5
143.46368	2.1
144.53186	2.4
146.07256	38.3
147.04369	3.4
147.08023	58.3
149.05946	33.8
151.07549	4.4
153.05470	53.9
161.05952	11.6
163.03906	10.9
163.07536	4.9
165.05464	81.6
169.29114	2.5
177.05470	33.6
178.06236	15.4
179.03340	3.3
181.04985	28.3
193.04993	14.4
211.06000	3.8
225.09117	3.4
229.39574	2.5
229.41832	2.6
241.08641	5.7
253.08688	3.2
265.79031	2.4
271.09558	4.2
279.10208	4.7
281.08078	3.2
285.11325	5.0
295.09869	2.6
296.10513	5.4
297.11172	5.4
301.10699	25.8
306.09161	3.1
313.10690	65.2
324.10095	5.3
327.12204	44.7
331.11719	46.2
339.12250	56.2
345.13315	34.1
357.08865	3.3
357.13293	100.0
363.14514	4.5
375.14325	19.8
393.15347	13.3
402.46091	2.4
442.28366	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	428.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71589	17.1
55.96780	12.9
56.95731	15.6
67.05492	70.7
69.07064	33.6
79.05460	23.2
81.07058	94.5
91.05479	36.3
93.07026	85.7
95.08616	25.1
97.06561	33.4
105.07033	31.1
107.08607	24.9
117.07004	27.2
119.08570	100.0
131.08548	33.7
133.10129	35.3
143.08533	26.8
145.10139	61.9
147.11678	20.5
159.11771	22.2
160.04068	16.5
161.13417	19.1
171.11717	91.4
174.46727	17.1
185.13309	25.7
281.17401	30.4
295.18961	69.6
301.21820	22.6
373.83185	17.4
375.25522	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	428.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71589	17.1
55.96780	12.9
56.95731	15.6
67.05492	70.7
69.07064	33.6
79.05460	23.2
81.07058	94.5
91.05479	36.3
93.07026	85.7
95.08616	25.1
97.06561	33.4
105.07033	31.1
107.08607	24.9
117.07004	27.2
119.08570	100.0
131.08548	33.7
133.10129	35.3
143.08533	26.8
145.10139	61.9
147.11678	20.5
159.11771	22.2
160.04068	16.5
161.13417	19.1
171.11717	91.4
174.46727	17.1
185.13309	25.7
281.17401	30.4
295.18961	69.6
301.21820	22.6
373.83185	17.4
375.25522	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	429.118
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
53.08860	1.5
58.47809	1.7
60.37769	1.7
61.94415	1.6
81.41702	1.7
123.04405	60.6
127.03905	49.3
135.04446	3.8
139.03897	100.0
147.04391	13.1
151.03885	90.4
153.56615	1.7
163.03899	15.5
165.05481	9.3
169.04974	4.2
181.04933	3.7
193.04953	12.7
207.06543	7.3
215.06886	2.4
221.81821	1.9
273.07605	9.6
277.07059	40.8
285.07425	3.1
289.07083	3.9
291.08673	11.2
301.14862	2.4
303.08575	61.1
392.60492	2.0
411.10468	7.7
429.11728	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	429.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95138	0.9
59.80058	1.0
61.01141	0.9
69.07084	1.2
72.04494	1.8
78.03780	9.1
81.94372	1.2
85.02914	1.0
88.02210	5.5
92.17900	1.2
94.22442	0.9
96.55669	0.9
102.03778	13.6
110.21163	0.8
119.08593	1.2
120.04845	1.4
130.08578	1.1
131.06358	14.9
132.04828	9.4
133.49300	0.9
142.08690	1.7
149.07440	100.0
151.03896	97.4
159.05873	5.0
184.09689	2.1
222.07529	1.0
225.05724	1.4
243.11623	1.7
249.14615	1.1
251.07262	1.7
261.12659	34.2
265.08847	8.6
267.10452	9.5
267.16031	1.2
279.13660	4.9
283.09900	7.7
285.11334	2.2
299.10596	21.1
355.17508	1.0
411.15460	9.3
411.20383	1.0
411.29019	1.2
429.15820	9.3
429.20966	32.9
429.29971	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	429.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.5
57.03436	10.9
57.07082	2.6
57.38336	2.0
59.05007	34.3
60.26172	1.9
61.02926	2.4
61.09542	2.1
62.68275	2.1
63.72243	1.9
67.05492	2.6
69.03423	9.1
71.04974	3.8
72.32040	2.1
75.67384	2.1
81.03400	11.1
83.04978	27.8
85.02902	28.0
85.06556	16.7
95.04942	8.2
97.02902	15.9
99.04417	3.3
101.06016	49.8
103.07581	100.0
109.02872	13.1
113.06014	11.8
116.14407	2.9
119.07021	13.1
123.04423	5.5
127.03923	30.6
131.07083	10.5
145.04980	5.7
149.08070	18.4
167.09152	4.0
183.24290	2.7
227.09140	4.3
245.10274	5.3
253.27225	2.4
263.11316	4.6
335.13324	18.2
353.14163	2.9
375.16385	4.5
393.17368	2.6
411.18472	4.1
429.07901	4.1
429.20770	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	429.2121
Annotation	Lactuside B
Peak:m/z	Relative Intensity
53.27797	1.7
69.03433	2.6
81.07058	3.3
85.02901	22.6
85.74583	1.9
93.06950	2.1
95.08562	3.6
97.02878	4.6
105.07050	3.5
107.08590	11.1
118.47604	1.8
119.08555	4.0
121.10150	2.3
127.03858	2.5
130.68423	1.7
131.08517	1.9
133.10080	2.6
137.05972	4.1
140.42926	1.9
145.05019	2.7
145.10123	13.4
147.07983	2.5
149.05962	2.4
151.07520	3.4
159.11649	4.3
161.05966	12.9
161.09592	4.0
165.13152	2.1
173.13153	2.6
175.07529	11.6
175.43082	1.8
177.09065	4.2
185.13284	16.7
187.14801	8.1
189.09117	19.8
193.12196	2.2
201.12733	3.7
203.14386	17.4
205.12186	2.7
213.12762	19.3
219.13757	14.9
231.13782	100.0
231.16064	3.9
249.14828	94.0
267.15878	77.5
285.10056	2.8
429.14737	13.6
429.21512	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	429.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03432	4.2
60.07866	0.8
67.05497	6.7
69.07071	1.3
79.05489	8.4
81.07072	8.0
90.09940	0.9
91.05450	1.7
92.18547	1.2
93.07037	11.0
95.08604	7.5
96.49933	0.9
104.35384	0.8
105.07033	1.6
107.08588	7.8
109.10147	4.0
113.00014	95.6
117.07008	1.9
119.08560	1.6
121.10126	7.4
123.11727	3.0
131.08540	4.4
133.10133	3.1
135.11694	5.4
138.53137	0.8
145.10100	4.7
147.11690	1.1
149.13284	1.9
155.01138	1.0
159.11696	2.0
161.13196	1.4
163.14838	1.6
169.02606	100.0
173.13246	3.4
177.16277	1.1
185.89935	0.8
187.14694	1.0
243.21091	8.4
261.22098	20.6
429.24014	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	429.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98359	1.2
54.24242	1.0
55.05510	1.6
58.23024	1.1
58.26630	1.2
67.05497	7.7
69.23360	1.3
72.27188	1.4
79.05479	4.9
81.07051	8.0
85.06603	1.4
91.05503	2.1
93.07039	9.7
95.08602	10.2
99.53629	1.3
101.44436	1.4
107.08566	8.8
109.10150	2.4
113.00014	100.0
117.06971	1.8
121.10161	8.9
123.06004	1.2
128.60657	1.5
131.04921	6.7
131.08553	2.8
135.11702	5.3
149.13248	3.1
159.11650	2.5
163.14835	2.5
169.02602	88.0
176.42857	1.5
184.63211	1.6
201.16318	1.3
243.21117	7.4
261.22086	18.3
429.23849	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	429.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81586	0.5
52.98289	0.5
55.05508	0.7
63.82473	0.6
67.05492	2.4
69.07058	1.4
79.05480	1.1
79.08588	0.6
81.07043	5.2
91.05459	4.5
93.07043	5.6
95.08587	3.9
105.07031	12.2
107.08568	1.4
117.06968	1.5
119.08539	7.6
121.10130	5.3
131.08560	0.8
133.10121	30.3
135.11649	0.9
143.08560	1.1
144.18251	0.7
145.10130	3.7
146.28473	0.6
157.10094	1.2
159.11656	1.2
171.11583	0.8
173.09616	2.9
185.09598	3.7
185.13228	1.2
195.97646	0.8
197.09660	0.7
199.07530	1.0
200.15555	0.6
201.09100	13.5
215.10565	1.1
224.11957	0.7
225.09102	3.7
227.06935	0.9
227.10680	0.9
237.09004	0.7
237.12566	0.7
239.10693	3.0
239.14139	0.7
247.10995	0.7
249.12740	0.9
251.10710	0.7
252.11459	1.2
253.08630	0.9
253.12186	0.9
265.12222	0.9
267.10364	2.8
267.13797	14.3
277.12213	1.3
281.11740	0.8
281.15515	0.7
289.12253	1.3
291.13757	0.9
295.13254	25.1
296.14145	4.4
297.15036	2.6
301.12131	1.5
303.13693	1.1
304.10977	0.8
306.12518	0.9
309.14810	2.9
315.13864	2.5
317.11581	1.4
317.15149	1.4
319.13254	0.7
329.15277	1.4
331.13278	1.1
341.19113	1.0
343.13196	1.8
343.16916	11.4
344.14120	1.3
345.14816	0.8
345.18582	0.8
358.19223	8.2
359.20023	3.2
369.18396	1.2
371.16339	1.5
372.16919	0.8
373.17877	0.7
386.18658	3.4
387.19379	9.4
401.24667	1.3
411.23032	1.3
429.24203	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	429.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44520	0.8
55.05515	1.8
57.07050	1.6
58.44487	0.9
67.05531	1.3
67.13758	0.8
69.07059	4.8
74.90608	0.8
79.05486	1.2
81.07035	4.4
83.08620	2.2
91.05469	3.8
93.07034	7.4
95.04945	1.3
95.08598	4.0
97.06551	1.3
103.05473	19.4
104.23705	0.8
105.07026	10.4
107.08575	6.6
109.06519	1.0
109.10148	4.1
117.07006	4.2
119.08569	6.1
121.10118	3.8
123.07998	1.2
124.15160	0.9
127.86847	0.9
128.06216	1.5
129.06978	4.0
131.04926	100.0
131.08563	4.7
133.10081	5.2
141.06949	1.4
142.07730	1.7
143.08583	12.4
145.06485	1.3
145.10126	11.6
147.08049	1.3
155.08569	8.5
156.09389	1.8
157.10136	12.3
159.08022	1.7
159.11714	4.9
161.09579	1.5
167.08583	2.1
169.10095	9.4
171.11647	4.9
179.08443	1.6
181.10120	2.4
182.10921	1.8
183.11697	17.8
185.13217	8.2
192.09337	1.6
193.10066	6.5
194.10800	1.4
195.11746	6.7
197.13271	4.7
206.10880	4.5
207.11673	5.7
208.12509	1.6
209.13322	1.9
211.14842	1.5
219.11703	1.1
221.13315	5.2
223.14899	4.0
225.12825	1.2
233.13182	2.2
237.16281	3.7
248.15494	1.4
253.15721	0.9
253.19516	3.5
263.17932	12.1
281.18973	20.3
329.33469	0.9
346.21771	1.0
383.23587	1.2
411.23199	3.6
429.24265	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	429.2635
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.50694	2.5
55.05516	2.4
55.27497	2.2
56.28123	2.4
57.07077	86.6
59.30471	2.1
63.00880	2.3
67.05507	4.0
67.88334	2.9
69.07060	6.1
72.43459	2.6
80.94591	2.5
81.07037	11.1
83.08571	2.9
85.06517	5.3
91.05462	3.2
93.07080	9.4
95.08552	3.6
97.06522	12.0
105.07012	12.8
107.08599	5.4
109.06499	3.4
109.10158	3.9
113.06014	2.9
117.07017	4.6
118.72907	2.4
119.08553	12.1
121.06461	2.6
121.10106	11.3
131.04901	43.5
131.08551	6.4
133.10110	6.0
135.08058	5.7
135.11713	4.3
142.07719	3.5
143.08565	13.7
145.06494	37.9
145.10100	14.5
147.08043	3.7
147.11684	5.1
155.08562	14.4
157.10086	11.1
159.11676	14.3
161.05954	10.5
163.07521	41.0
169.10129	13.8
171.11618	11.7
178.81564	2.8
182.11034	2.7
183.11729	22.9
193.10040	4.7
195.11751	4.8
197.13269	16.5
201.09062	3.1
207.11589	3.9
209.13072	3.7
211.11160	12.2
221.13216	3.3
223.14757	3.2
225.12747	11.0
227.14420	2.8
229.12175	3.2
229.19463	3.3
239.14296	4.8
239.17935	26.1
249.16333	17.8
257.19061	4.2
267.17416	65.5
281.18964	2.7
285.18472	100.0
327.19550	23.1
345.20529	24.1
353.07025	2.9
429.26404	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	429.2636
Annotation	Graviphane
Peak:m/z	Relative Intensity
55.05513	9.9
57.07063	1.2
61.88824	1.2
67.05508	36.5
67.06252	1.3
69.07061	7.5
69.48501	2.0
69.72743	1.2
71.05003	1.5
71.65027	1.3
79.05486	5.4
81.07059	36.9
83.08630	2.4
91.05472	3.3
93.07045	6.4
95.08595	33.2
103.05466	9.0
105.07011	2.6
106.68655	1.5
107.08607	5.9
109.06523	1.3
109.10159	12.2
117.07020	1.5
119.08590	6.3
121.10152	2.3
131.04918	55.9
131.08591	2.5
133.10133	5.6
139.03990	1.8
143.08607	2.7
145.10107	3.0
147.11723	1.5
151.07571	1.9
153.01833	25.3
155.08583	1.5
165.10402	1.6
169.10135	3.2
175.11212	1.5
179.03368	3.2
181.10150	2.2
192.04185	2.9
193.05127	1.8
205.04948	20.7
206.10895	3.5
211.14928	1.6
221.13293	13.4
231.06615	9.1
239.14409	6.3
245.08043	2.5
261.11319	2.0
264.42227	1.4
275.12845	2.8
281.19086	7.2
289.14465	2.9
297.18701	2.0
303.15939	2.8
315.16098	2.6
317.17453	2.1
329.17584	2.6
340.52191	1.8
343.18881	2.0
345.20810	1.5
399.25101	3.2
411.25204	19.8
429.26340	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	429.2999
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
51.17922	0.7
54.43276	0.8
54.66090	0.8
57.07093	7.5
69.07054	2.4
69.74036	1.0
71.08621	7.1
79.05468	1.8
81.07061	39.3
88.75410	0.9
92.67709	0.9
93.07011	2.0
95.08571	1.8
99.08115	8.5
105.07006	1.8
107.08570	5.2
107.91755	1.0
109.10143	1.5
112.29357	0.9
119.08563	2.0
121.06482	1.0
121.10136	1.7
123.08069	1.4
123.11681	1.0
131.08588	2.2
132.39857	0.9
133.10101	1.9
135.08067	2.2
135.11682	1.3
145.10117	5.2
147.08032	4.0
149.09659	1.3
157.10114	1.4
159.11707	1.3
161.09651	2.3
161.13306	1.1
173.09612	13.6
173.13318	1.0
175.14798	1.5
179.14320	4.1
181.15894	2.1
182.14209	1.1
183.11655	1.4
185.13171	1.8
187.11221	1.5
191.10675	11.1
199.11272	1.1
202.61775	1.0
209.13354	1.3
213.12793	1.7
221.13255	1.3
225.12830	1.6
231.13843	5.2
237.16406	2.0
239.14258	2.3
241.48067	1.0
245.35504	1.0
249.14677	7.5
255.17290	1.7
265.15961	1.5
283.16959	6.7
284.17767	1.6
295.20615	5.0
301.17987	26.9
302.18753	5.7
313.21704	5.2
331.22638	17.2
337.25128	1.0
393.27994	5.6
411.28867	17.3
429.29984	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	429.3001
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.05513	3.6
56.79586	2.1
67.05493	13.4
69.07063	19.6
75.57281	1.8
79.05479	10.0
81.07056	26.6
83.08604	4.5
91.05476	2.9
93.07041	22.6
94.82637	2.2
95.04937	2.8
95.08605	19.8
99.28074	2.0
102.15055	2.5
104.92738	2.1
105.07040	15.7
107.08591	36.5
109.06512	2.8
109.10163	41.0
111.08114	2.8
117.07050	2.5
119.08571	13.3
121.06501	3.9
121.10144	21.6
125.09631	2.8
131.08556	5.1
133.10139	17.6
135.11688	4.0
137.05969	9.0
137.09639	2.7
141.06956	2.0
141.92854	2.0
145.10114	11.4
147.08040	3.2
147.11678	9.5
149.09589	3.0
155.08533	4.2
157.10153	5.1
159.11691	14.2
161.09589	4.2
161.13248	20.9
163.14857	2.8
165.12720	3.3
169.10147	3.4
171.11653	4.7
173.09616	14.6
175.14833	8.4
179.14310	11.3
185.13220	2.6
187.11105	4.7
189.09204	2.8
191.10631	5.2
195.11792	2.3
197.13214	3.2
199.14662	3.3
201.16432	3.3
213.12718	3.1
215.14320	7.8
217.19495	3.8
227.14180	2.9
231.13872	9.7
231.74570	2.3
233.15353	8.9
249.14833	9.0
261.14746	3.2
266.06979	2.2
279.15891	4.8
301.17801	8.3
355.22693	8.5
375.26843	2.9
393.27856	12.0
411.28918	42.6
429.20670	3.1
429.30051	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	429.2998
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
51.52350	0.6
53.00319	0.8
54.04797	0.6
54.52232	0.7
55.05505	0.6
62.73317	0.6
63.30436	0.6
67.05498	1.6
69.07068	36.6
71.04990	0.8
79.05480	3.2
81.07058	21.3
83.04986	0.8
83.08582	0.8
91.05447	1.4
93.07037	8.2
95.04959	1.1
95.08586	6.5
97.06525	43.9
97.10152	1.5
99.08090	12.7
105.07022	5.6
107.08608	5.2
109.06515	0.8
109.10133	6.5
111.08060	1.3
117.07000	0.8
119.08573	4.2
121.06456	1.3
121.10126	4.9
123.08022	1.0
123.11728	0.9
125.09581	1.8
127.11197	1.0
131.08540	3.3
133.10106	6.5
135.08063	1.4
135.11635	0.8
137.06006	2.6
143.08560	1.5
145.10103	4.7
147.11691	7.1
156.17059	0.7
157.10085	3.5
159.11552	1.1
161.09586	1.1
161.13217	3.5
163.11215	0.8
169.10133	1.4
171.07951	1.5
171.11647	1.1
173.09618	4.7
173.13133	0.9
175.11156	3.2
175.14813	1.7
181.10078	1.1
183.11693	1.0
185.13263	1.7
187.11111	1.4
189.12785	1.0
191.10779	1.0
195.11615	1.0
197.13155	0.8
199.11119	1.1
199.14793	1.8
201.16414	1.0
203.14418	1.2
211.11171	1.1
213.12723	2.8
223.14832	1.2
225.12680	1.2
227.14401	0.9
239.17917	1.1
241.15701	1.1
249.16417	0.9
257.18958	0.8
267.17487	5.3
285.18457	5.3
297.22040	1.5
300.17142	0.9
303.19443	7.2
315.23190	4.6
318.18417	6.7
337.21808	1.0
362.42624	0.8
369.13058	1.0
375.27066	0.9
387.68954	1.0
393.27875	1.8
411.28879	11.5
429.19266	7.2
429.29944	100.0
454.77243	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	429.3003
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.05518	2.2
67.05505	3.3
69.07065	18.7
72.60447	1.4
74.90679	1.3
79.05489	1.8
81.07085	11.6
83.08615	7.5
91.05461	3.2
93.07046	12.2
95.08591	13.8
97.06524	1.4
105.07043	6.6
107.08603	13.9
109.10154	20.7
111.08088	2.7
119.08585	8.3
120.31481	1.4
121.06477	2.5
121.10141	7.8
123.08051	2.2
130.68307	1.5
131.08539	2.9
133.10068	4.4
135.07965	2.0
135.11644	2.5
137.05963	2.2
143.08569	2.5
145.10126	7.1
147.08022	2.9
147.11723	7.9
149.09685	2.0
157.10136	5.5
159.11708	5.4
161.09596	2.0
161.13312	5.1
163.14795	1.7
171.08144	2.6
171.11681	2.0
173.09637	8.9
173.13306	6.1
175.14905	1.9
179.14314	2.9
185.09613	1.4
185.13161	2.5
187.11208	2.2
187.76823	1.6
189.09071	5.6
191.10672	3.1
197.13278	2.4
199.11082	3.0
199.14812	3.0
205.12285	2.2
213.12686	2.4
215.14362	1.5
215.18083	1.9
225.12823	1.6
231.13802	2.5
233.15268	2.1
249.14867	2.4
265.15961	1.8
279.15854	2.1
283.16934	8.4
300.37860	1.5
301.17932	43.7
326.05179	1.5
327.19080	1.8
329.21228	1.6
337.21783	5.2
341.20905	1.8
342.66635	1.4
352.46570	1.4
355.22626	12.5
393.22464	1.4
393.27814	5.3
411.28885	41.4
411.33942	2.1
414.27658	6.7
429.24243	3.6
429.30023	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	429.3002
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.05506	1.4
55.46225	0.9
67.05508	1.7
69.07072	56.6
79.05488	1.9
81.07056	17.7
83.08571	1.1
87.26939	1.0
91.05453	2.3
93.07026	5.8
95.08579	5.5
97.05899	1.9
97.06527	46.2
97.41338	0.9
99.08092	11.5
105.07061	1.8
107.08584	6.2
109.10155	4.3
119.08574	4.5
121.06537	1.7
121.10133	4.7
125.09562	1.2
131.08543	2.3
133.10132	6.3
135.11722	1.4
143.08461	1.7
145.10136	4.4
147.08043	1.3
147.11682	8.6
149.13254	2.3
157.10097	1.5
159.11671	4.0
161.13245	1.9
163.11185	1.1
171.18198	1.0
173.09653	4.1
173.13287	1.9
175.11171	1.6
175.14879	2.1
185.09596	1.1
185.13177	1.9
187.11119	1.2
187.14833	1.2
199.11137	1.4
201.16399	1.2
209.13345	1.4
211.14709	1.6
225.16354	1.1
227.14215	1.7
230.90062	1.0
239.17915	2.4
241.15735	1.0
249.16402	2.1
267.17383	6.3
283.16870	1.4
285.18475	4.0
297.22079	2.3
303.19629	2.4
315.23184	6.6
337.21750	1.1
355.22882	3.9
393.27939	2.0
411.28949	15.4
429.20712	3.5
429.29984	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	429.3366
Annotation	Variecoacetal B
Peak:m/z	Relative Intensity
50.37058	2.7
50.74039	2.9
51.61365	2.6
55.05507	18.1
57.07071	14.5
67.05498	4.3
69.07076	72.9
71.08652	11.9
75.30382	3.3
79.05465	3.5
81.07068	33.9
81.12591	3.1
83.05014	3.5
83.08613	33.4
85.10172	5.5
91.33463	3.0
93.07045	5.7
93.26881	3.0
94.89116	3.2
95.08582	30.2
97.10168	17.7
107.08597	5.7
109.10160	17.9
111.04430	3.7
111.11696	5.9
123.11711	14.6
135.11726	5.8
137.05984	15.8
145.86926	4.0
151.07558	31.5
161.05977	3.3
161.09654	4.3
163.07516	3.7
165.05460	7.3
165.09103	5.2
167.07030	100.0
175.11121	6.1
179.07050	4.8
179.10759	3.3
191.10692	3.9
193.08601	7.9
203.10616	7.9
205.08566	4.4
206.98883	3.4
207.10202	13.3
217.12357	4.0
221.11786	5.2
241.78815	3.8
263.27432	4.4
291.19528	4.7
300.76096	3.4
347.25916	5.3
383.32745	12.5
387.32776	5.1
401.34134	4.8
411.32727	12.1
429.33618	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58968	13.4
57.60963	13.7
57.94225	18.1
67.05480	17.8
67.56210	16.1
69.07051	100.0
83.08624	28.3
92.18511	17.4
95.41845	14.4
97.10151	20.2
112.80563	17.9
133.10184	34.4
135.11696	18.0
151.07471	20.3
167.07028	89.2
179.10707	21.4
358.43420	18.7
429.33786	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
57.07075	9.7
58.82610	1.8
65.06211	1.9
69.07060	11.4
71.08631	9.4
75.17308	2.0
75.49879	2.6
78.54881	2.0
81.07045	12.4
83.08618	9.0
85.10162	2.9
93.07010	2.2
95.08601	14.8
97.10152	8.9
107.08575	5.0
109.10130	5.3
114.08978	2.0
121.06515	2.8
121.10117	2.7
123.11691	3.1
135.11690	2.9
139.18291	2.3
145.10085	2.9
147.11673	2.6
149.09631	3.3
149.13303	2.8
159.11743	3.9
161.09612	2.9
161.13173	2.4
173.13290	2.4
175.11212	12.2
177.12622	2.7
271.20721	2.9
411.36215	10.0
429.32050	3.8
429.37259	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	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
61.02928	0.3
69.03421	0.6
71.04960	0.3
81.03419	0.4
85.02898	4.1
97.02878	1.2
127.03883	1.1
136.06183	100.0
172.22144	0.3
244.34540	0.3
268.10458	2.0
317.38885	0.3
391.98474	0.3
430.15662	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	430.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
66.62959	0.4
69.03410	0.6
73.02905	0.6
78.86177	0.5
81.03386	0.5
85.02892	3.2
85.90630	0.5
86.09697	2.3
86.67103	0.5
88.03938	0.6
89.06049	0.5
97.02843	1.0
99.04439	1.2
117.05518	0.8
120.40867	0.5
132.10197	1.2
136.06181	100.0
137.04547	0.6
148.06232	1.9
149.21371	0.5
150.05588	0.9
151.05859	0.9
152.05670	17.2
161.04611	0.5
178.07236	11.8
202.07277	3.2
208.08337	2.9
232.08290	0.8
244.08488	0.6
262.09305	7.0
268.10352	2.1
280.10425	7.0
298.11444	52.2
313.18237	0.5
430.15677	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83939	0.2
57.03417	0.2
58.23314	0.3
61.02916	1.1
62.45364	0.2
69.03418	1.2
72.08128	0.3
73.02890	0.4
81.03390	0.4
83.59660	0.3
85.02908	4.4
91.03933	0.3
97.02893	2.4
99.04475	0.3
108.52641	0.3
109.02847	0.3
111.16606	0.3
119.03547	0.4
122.70227	0.2
127.03915	0.6
130.61945	0.2
136.06180	100.0
145.04961	0.3
147.04427	0.5
186.04744	0.3
242.07349	0.4
268.10419	2.4
430.15717	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89922	0.2
59.53493	0.2
61.34970	0.2
78.49670	0.2
89.75608	0.2
91.41846	0.3
97.96490	0.2
108.81388	0.3
183.01868	0.3
188.70804	0.3
210.09131	1.7
223.55391	0.3
224.10739	0.5
235.10789	0.5
238.12241	0.5
247.12927	0.3
268.16940	100.0
430.22198	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26168	7.6
54.47088	8.5
55.05498	32.9
57.03429	19.8
66.21133	9.2
66.21513	9.0
67.05502	49.5
69.07066	19.5
71.08626	40.9
79.05491	42.9
81.07049	50.4
83.04964	11.2
85.06548	10.3
91.05473	64.2
91.60765	7.8
93.07053	73.7
95.04986	10.3
95.08588	20.6
97.06541	12.3
97.09563	8.4
99.04447	11.4
99.08104	21.5
105.07023	20.3
107.08580	21.7
109.10143	11.8
117.07003	44.1
119.08558	74.2
121.10117	20.4
129.05461	14.1
129.06993	20.6
131.08548	46.2
133.10094	41.9
135.08049	9.8
135.11703	11.7
139.11131	14.7
141.12677	10.3
145.10109	62.1
147.11682	18.8
157.10106	12.0
159.11641	12.4
161.09567	10.2
161.13248	13.6
169.10176	14.5
169.84373	9.9
171.11685	58.2
175.14870	11.7
185.13196	33.6
187.14769	11.9
189.12781	11.5
203.14397	15.0
257.22678	9.7
267.21243	9.4
285.22125	58.1
287.49908	10.4
295.19049	100.0
303.23001	19.1
352.59164	8.9
377.26862	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71510	0.7
65.18911	0.6
74.50263	0.6
185.92276	0.8
205.27522	0.7
313.09082	5.1
313.53967	0.7
321.46014	0.8
431.15216	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	431.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84117	1.3
53.96588	1.4
63.34151	1.4
67.40065	1.5
103.06796	1.5
113.04328	1.8
126.28069	1.7
134.30093	1.4
134.82822	1.6
137.93033	1.6
159.93918	1.7
160.09993	2.6
189.10219	38.1
219.11263	7.4
243.11246	3.3
279.13339	3.5
291.57782	1.7
323.15988	100.0
349.17511	2.1
353.17087	21.6
377.16791	2.7
413.19235	11.7
426.11325	1.8
431.20242	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Kadsulignan N
Peak:m/z	Relative Intensity
52.48056	1.8
54.01807	1.8
55.05516	2.1
67.05488	1.9
69.03414	2.0
73.00597	1.8
74.92236	2.0
79.05482	2.6
81.03410	2.4
81.07049	3.1
81.86772	2.2
83.04993	2.6
91.05486	10.6
93.07058	15.4
95.04948	8.0
97.02882	10.9
100.06007	2.1
105.07034	34.6
107.04927	2.9
113.25109	1.9
117.07083	2.1
119.08583	10.2
121.06512	23.1
121.10138	4.1
123.04421	3.8
131.08597	6.6
132.37517	2.4
133.06447	4.5
133.10129	80.3
135.08127	3.8
135.11702	2.2
137.05997	3.2
143.08585	10.8
145.10114	12.0
147.08083	2.6
148.04799	2.2
149.05969	13.4
149.09639	2.9
151.07466	2.6
153.05363	3.3
155.08615	2.9
157.10120	11.5
158.43280	2.1
159.11716	2.3
161.05917	2.5
161.09607	74.3
167.07074	3.6
171.11687	30.0
173.09627	4.1
177.05457	5.1
179.07089	3.4
181.10104	3.5
183.11691	2.9
195.11725	8.7
197.09547	2.9
199.11200	2.5
206.10892	2.3
211.11328	2.2
215.14047	3.0
217.10213	2.0
221.13318	4.2
232.12477	4.8
242.38058	2.2
247.14864	20.4
250.25720	2.0
260.11877	2.8
265.15851	9.2
275.14307	10.8
283.17004	3.3
284.35663	3.2
293.15399	10.2
311.16406	10.4
312.15524	2.1
353.16504	1.9
371.18420	3.2
431.20709	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	431.2063
Annotation	Kadsulignan N
Peak:m/z	Relative Intensity
53.47804	2.1
60.40305	1.7
60.92861	1.9
61.91566	2.0
63.23765	1.8
67.05513	2.8
79.05473	2.2
85.02907	2.1
85.22875	2.2
85.77895	2.0
86.09689	3.2
91.05465	10.3
93.07029	13.1
95.04997	2.4
95.08600	2.5
97.02887	3.2
103.05457	3.5
105.07033	38.1
107.04947	2.8
108.45509	2.0
109.06490	2.6
119.08541	8.9
121.06499	28.7
121.10102	5.0
122.86109	2.5
123.08055	2.5
131.08565	9.4
133.06502	11.9
133.10124	94.4
135.04434	3.6
143.08572	3.7
145.10098	14.2
147.11731	3.1
149.05948	21.5
155.08505	2.4
157.10098	9.2
159.08026	4.8
161.05777	2.4
161.09589	80.4
167.06992	3.0
169.10068	2.8
171.07935	2.5
171.11673	37.8
173.09634	4.1
177.05441	18.8
183.11815	3.0
195.11844	2.9
197.13152	3.3
207.11761	3.5
211.14806	2.6
215.14294	2.2
217.10135	2.8
218.10858	2.2
220.12616	2.3
221.13329	5.0
223.11050	3.2
223.14922	3.5
232.12445	9.2
237.16336	3.3
239.14142	2.6
247.14760	21.1
249.86353	2.5
265.15570	2.7
275.14297	3.5
293.15442	4.9
329.17361	3.5
371.18451	4.7
431.20663	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	431.2064
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
53.54314	2.3
55.05511	11.2
55.31210	2.3
62.23614	2.3
69.07069	4.4
79.05476	4.5
81.07044	5.1
83.04986	41.6
91.05466	3.8
93.07059	3.3
95.04951	3.6
95.08598	5.5
95.76665	2.7
97.06516	6.3
99.04420	3.5
105.07023	11.3
107.04971	2.9
107.08591	6.3
109.06517	4.8
117.07002	11.6
119.08587	23.4
121.06461	4.7
121.10130	3.4
123.04424	2.8
123.08049	3.7
129.07034	4.5
131.08522	4.7
133.06468	11.6
135.08086	9.9
137.05981	3.1
142.07777	3.6
143.08551	12.4
145.06493	4.6
145.10121	13.4
147.08095	4.9
149.05943	3.4
149.09615	3.9
155.08553	4.3
156.09425	3.2
157.10046	9.9
159.08029	5.4
159.11717	12.2
161.05986	3.1
168.09348	2.6
169.10164	5.3
171.11699	14.3
175.07655	2.9
175.11198	5.4
177.09206	4.5
181.10081	5.8
183.11716	16.1
185.09619	5.6
187.11188	3.2
195.07930	3.0
195.11676	14.5
199.11177	13.6
201.12857	3.3
207.07950	3.4
207.11858	3.9
209.09605	4.5
211.11189	4.1
215.10614	3.2
217.10120	3.5
223.11113	5.0
223.14853	4.1
229.12163	3.3
237.09059	3.7
247.14801	3.2
265.15894	6.6
283.17010	10.4
293.15338	17.0
295.13223	3.4
311.16422	54.2
313.14429	5.6
329.17422	20.9
350.44299	2.8
353.17374	21.5
371.18640	26.3
389.19394	27.3
413.19632	16.3
431.20636	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	431.2066
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
56.27633	2.9
57.07079	3.2
67.05515	5.2
69.03413	5.4
69.63058	3.6
79.05504	6.5
79.07407	3.5
86.33578	3.9
91.05474	8.1
92.17878	3.6
93.07030	18.0
94.48298	3.8
95.04942	4.8
95.08590	4.9
105.03387	20.2
105.07023	38.9
107.08595	14.2
109.06501	8.0
119.08574	20.3
121.06493	17.4
123.08042	7.0
128.06218	4.2
129.07001	3.6
131.08534	6.2
133.06482	18.5
133.10133	25.4
135.08055	14.7
137.05971	4.3
137.09665	3.7
142.07651	4.3
143.08568	19.8
145.10106	7.8
147.08051	14.2
149.09674	7.6
151.07542	4.7
155.08543	8.9
157.10115	18.9
159.08020	7.6
161.09598	42.3
169.10204	7.8
171.08015	8.9
171.11693	8.2
173.09712	7.5
177.09058	8.3
179.08534	3.5
180.00307	3.9
181.10052	20.2
183.11714	8.0
185.09599	8.2
187.11206	4.3
193.10115	8.8
194.10909	5.9
195.08115	4.7
195.11697	28.5
197.09616	16.1
197.13246	7.4
199.11142	19.4
205.10152	5.8
207.11664	16.3
208.12535	8.7
209.09674	7.1
209.13297	5.5
211.11172	21.0
213.12758	6.3
221.13260	14.9
223.11201	20.0
223.14902	7.0
224.12257	4.4
225.12770	17.5
227.10594	13.3
235.11208	7.0
237.12753	7.6
237.16393	6.5
239.10617	8.1
239.14337	8.0
241.12196	16.4
241.15862	6.6
247.14847	14.7
249.12680	3.9
250.13475	6.1
251.10776	5.6
251.14305	15.2
255.17427	9.0
263.14148	4.6
265.15775	30.8
269.11734	5.1
269.15253	6.8
275.14261	17.7
283.16873	24.6
293.15363	31.9
311.16446	49.5
329.17581	25.0
353.17404	6.9
371.18469	45.4
389.19492	17.6
431.14767	5.5
431.20615	100.0
457.85104	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	431.2062
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
53.79180	3.0
55.01876	3.3
87.18506	3.2
91.05536	4.0
91.73364	3.5
93.07027	7.8
95.04958	25.2
105.07028	8.1
112.11869	3.1
119.08547	5.9
121.06490	3.9
123.03214	3.6
123.08077	3.8
131.08553	4.0
133.10103	12.9
135.07994	5.7
143.08528	4.5
145.06551	3.5
145.10121	5.4
149.09683	5.6
159.07974	5.1
161.09599	14.8
166.81989	3.2
169.10063	5.2
171.08086	5.4
171.11659	18.6
173.09625	5.0
181.10153	21.1
183.11615	3.7
185.09512	6.0
187.11163	4.1
189.09190	3.9
193.10138	5.8
195.11703	16.4
197.09604	4.1
197.13234	5.5
199.11192	20.9
207.11623	14.1
209.09674	17.0
209.13301	4.1
213.12706	4.9
217.10220	4.4
217.12161	5.9
221.13222	6.4
222.13995	5.6
223.11263	6.3
223.14786	7.1
225.12840	4.2
227.10652	19.0
229.12256	3.6
232.12384	4.6
235.11179	4.9
237.12706	4.2
237.16336	12.0
239.14371	7.3
241.12201	3.8
243.13863	13.7
247.14813	4.7
249.12759	3.5
250.13583	6.5
251.10921	4.1
251.14200	5.6
255.17410	4.8
265.15799	18.8
267.13657	3.8
269.15268	4.2
278.13129	4.0
281.15344	7.7
283.16922	22.9
293.15366	18.1
299.16260	5.4
311.16507	61.1
329.17624	13.8
353.17685	4.4
356.21918	3.4
371.18491	26.2
389.19507	79.0
431.20615	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	431.2066
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
52.79758	5.4
55.05509	4.8
67.05521	5.5
69.03421	10.5
79.05469	6.4
81.07069	7.6
84.96828	5.0
85.02899	10.7
91.05473	9.9
93.07040	11.1
95.04945	8.1
95.08595	10.6
98.56612	4.3
105.07041	39.4
107.08648	7.1
109.06553	6.9
112.90627	4.6
119.08570	10.7
121.06505	36.2
123.08044	8.5
131.08537	26.4
133.06512	9.7
135.08025	18.6
137.05960	6.5
143.08537	19.5
145.06520	5.3
145.10118	29.3
147.08026	11.1
149.05963	5.7
149.09569	17.7
151.07574	4.9
155.08574	16.0
157.10092	8.6
159.08028	9.5
159.11580	4.9
161.09589	32.7
167.08575	10.8
169.10114	19.6
171.08047	9.0
171.11655	6.8
173.09624	30.2
175.07494	5.8
175.11128	6.0
179.08557	8.8
181.10135	24.1
183.11685	8.6
185.09560	19.1
185.13219	6.0
187.11096	6.4
187.14688	5.7
189.09149	7.7
193.10019	5.6
195.08090	10.1
195.11647	33.1
197.09616	21.2
197.13261	7.3
199.11194	25.5
207.11752	10.9
208.08923	5.6
208.12434	5.7
209.09599	24.1
209.13271	10.9
210.10423	5.1
211.11172	30.9
213.09250	8.4
213.12784	22.2
215.10616	8.2
217.10181	4.6
218.10963	6.8
221.13239	23.2
223.11160	30.6
223.14838	26.0
225.12726	23.1
227.10664	19.8
229.12093	5.6
231.54784	5.2
232.12524	17.5
235.11124	7.9
235.14822	19.9
237.12814	10.3
237.16371	18.6
239.14256	22.6
241.12195	9.4
247.14821	20.8
248.12013	7.6
249.12737	9.2
250.13568	11.2
251.10735	6.2
251.14206	21.4
251.16441	55.9
252.16743	94.1
253.15900	9.4
260.12009	7.8
263.14267	33.4
265.15881	59.3
267.13849	17.0
269.15268	10.9
272.21457	5.5
275.14331	27.8
281.15335	19.6
283.16971	25.3
293.15384	57.7
311.16397	71.1
329.17520	61.2
353.17712	6.0
371.18417	87.6
389.19641	30.1
431.20633	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	431.2062
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
57.27552	4.5
57.97630	4.5
59.36646	5.1
62.08233	5.6
62.13424	4.5
63.35078	4.5
65.79753	4.9
67.05534	7.5
79.05474	5.9
91.05447	6.7
93.07050	13.1
95.04973	7.3
95.08617	10.1
97.02871	6.0
97.06539	5.8
105.07002	38.2
107.08620	8.7
109.06493	10.6
109.10154	7.4
119.08535	11.1
121.06478	33.1
121.10166	19.7
126.76383	5.6
131.08542	7.2
133.06499	11.1
133.10138	66.4
135.08061	5.6
137.09651	5.8
143.08525	6.1
145.10109	20.8
147.07954	8.0
149.05980	12.0
149.09593	6.8
155.08556	7.3
157.10051	18.1
161.09624	44.4
169.10089	8.0
171.11690	32.7
177.05513	10.1
181.10114	6.8
183.11720	9.1
185.09653	5.7
195.11670	12.2
197.13226	6.6
199.11223	26.0
208.12505	5.9
209.09695	8.1
209.13298	25.6
211.14706	5.9
213.12679	9.4
223.11340	7.3
223.14935	6.2
225.12718	10.4
227.10745	12.6
237.12714	37.1
237.16397	9.8
241.15712	8.1
243.13730	11.0
247.14832	11.0
250.13443	6.3
255.13774	9.1
264.87671	6.3
265.15897	34.0
267.13934	7.5
278.84610	5.9
283.16748	37.1
293.15442	23.7
311.16315	72.7
329.17615	30.9
353.17126	5.8
371.18527	74.5
389.19534	46.1
431.20901	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	431.2065
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
54.30251	2.3
55.05518	2.7
55.58718	1.8
55.92402	2.1
60.55399	2.3
61.36944	2.1
67.05505	5.0
69.03420	3.1
69.07066	10.9
69.66615	2.6
72.55962	2.5
79.05471	3.5
80.80259	2.2
81.07073	4.3
83.04985	4.4
91.05457	10.2
92.17829	4.9
93.07043	10.3
95.04969	9.6
95.08604	4.0
95.27938	2.8
97.06520	9.9
100.93015	2.5
105.07024	22.8
107.08587	12.8
108.37276	2.3
109.06535	5.2
110.00854	2.5
116.57385	2.4
117.07043	5.4
119.04944	2.9
119.08574	14.3
121.06472	5.9
121.10114	11.6
123.08067	6.0
129.07004	2.5
131.08571	13.5
133.06491	10.6
133.10117	12.4
135.08046	5.7
137.09645	3.5
142.07803	2.9
143.08557	11.3
145.10132	10.7
147.08043	5.8
149.09618	4.5
155.08530	9.8
157.10118	13.2
159.08073	11.4
161.09554	10.9
165.06940	5.0
166.07784	2.6
167.08540	4.2
169.10149	9.8
171.08047	9.9
171.11656	10.7
173.09590	4.6
175.07510	2.8
175.11235	3.3
177.09126	3.3
179.07115	4.1
179.08578	3.6
181.10164	5.2
183.08064	3.8
183.11670	14.3
185.09639	13.2
185.13278	4.3
187.11102	4.3
189.09134	3.6
192.09341	3.5
193.10254	3.8
195.08044	5.4
195.10065	3.3
195.11632	19.5
197.09685	9.1
197.13251	5.3
199.11227	11.4
201.12871	3.4
207.11691	12.5
208.12488	4.5
209.09590	9.8
209.13246	13.6
211.11192	15.6
213.09065	4.3
213.12747	5.7
215.10715	4.4
221.13277	3.1
222.10442	4.5
222.14008	3.2
223.11177	16.6
223.14798	10.1
224.11932	3.2
225.12706	10.7
227.10617	5.4
232.12456	5.1
235.11134	3.9
236.11935	8.6
237.12630	4.2
237.16400	5.1
239.14310	4.0
241.12187	5.3
241.15796	9.5
247.14888	3.2
251.14229	7.7
253.12428	4.5
253.15636	3.0
265.15854	28.9
267.13754	3.9
269.11584	3.0
269.15457	5.0
281.15393	4.5
283.17017	25.8
293.15421	25.0
299.16626	3.6
311.16296	48.4
329.17514	18.9
371.18515	30.8
389.19641	13.2
431.20624	100.0
431.26053	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	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
55.47882	3.0
69.07042	3.1
73.28953	2.7
78.16798	2.9
81.03427	6.3
81.07050	2.7
83.04971	5.5
89.99130	2.9
93.07031	3.6
95.04953	5.4
98.78522	2.7
99.23510	2.8
105.06417	3.1
105.07024	24.1
109.06528	4.0
114.09138	3.5
119.08573	4.0
121.06494	4.6
123.04411	5.6
123.08035	3.5
125.05970	3.0
133.06502	5.5
133.10135	5.9
143.08582	15.2
145.10133	13.9
147.08025	3.0
149.05937	5.3
149.09602	3.2
155.08553	13.5
156.09268	5.7
157.10141	15.1
159.08012	4.5
159.11647	4.3
161.09676	4.5
166.07677	3.6
167.08511	6.5
169.10110	44.9
171.07973	6.9
171.11673	17.5
173.09573	23.6
175.11238	3.4
179.08572	3.9
181.10124	17.9
183.07970	4.8
183.11682	18.1
185.09651	11.0
187.11203	13.0
192.09445	3.9
193.10129	4.2
195.11758	20.7
195.25125	3.3
197.09628	12.9
197.13307	21.4
199.07458	3.7
199.11191	48.6
205.10320	3.2
206.10991	4.0
207.11700	11.2
208.12408	6.3
209.09583	17.7
209.13229	16.2
211.11153	5.8
211.14859	3.7
213.12715	6.3
215.10623	5.6
215.14325	12.8
217.12315	3.5
220.12352	5.0
221.13258	4.8
222.14090	5.0
223.11182	14.5
223.14861	11.7
225.12680	7.1
227.10712	15.7
233.13310	3.8
235.11089	3.5
235.14783	3.5
237.12755	14.2
237.16347	6.0
239.14203	15.9
241.15836	6.4
243.67915	3.5
247.14839	6.6
250.13553	11.9
251.14461	5.2
253.12302	4.6
255.13634	3.3
255.17531	4.8
260.11969	4.0
263.14359	3.8
265.15854	32.3
267.13727	5.1
269.15314	5.7
275.14197	5.3
281.15265	5.7
283.16962	20.7
293.15375	25.7
299.16040	3.4
311.16379	59.3
329.17508	12.8
358.22601	3.3
371.18484	100.0
387.18109	14.3
389.19601	3.2
431.20551	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2062
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
53.00957	2.7
53.16714	2.7
54.29337	2.8
57.07082	3.3
57.40102	3.3
69.03412	4.1
69.07038	4.2
69.13036	2.7
79.05477	5.6
79.95050	3.2
81.03451	3.4
83.04996	4.1
91.05487	6.0
93.07018	13.0
95.04953	7.4
95.08585	7.3
97.06508	3.4
105.03383	14.5
105.07025	20.1
107.08570	7.6
109.06492	3.4
109.10068	3.2
111.07981	4.0
119.04974	3.8
119.08566	15.3
121.06498	5.9
123.08037	4.3
129.06981	4.6
131.08548	7.0
133.06491	6.1
135.08017	6.8
143.08577	6.1
145.06494	7.4
145.10094	12.0
147.08034	7.3
149.06015	4.6
155.08559	6.2
157.10118	13.4
159.08037	16.2
159.11584	4.2
161.09607	16.8
167.08476	6.3
169.10136	13.3
171.08046	4.3
171.11687	13.3
173.09619	18.0
175.11217	3.3
179.08418	4.1
181.10124	20.2
185.09578	15.0
185.13298	5.3
189.12796	4.2
192.09294	4.5
193.10056	7.7
195.11646	20.6
197.09653	5.7
197.13208	14.0
199.11237	23.4
199.14973	3.6
201.09041	4.5
201.12755	6.0
203.99356	3.3
207.11676	7.0
208.12508	6.4
209.09528	5.2
209.13235	7.4
210.10443	4.5
211.11153	6.7
211.14734	3.7
213.12741	19.0
215.10609	5.3
215.14302	4.2
217.12309	4.0
221.13290	6.6
223.11183	14.2
223.14763	7.0
224.12033	5.3
225.12737	15.8
227.10645	12.4
236.12036	4.6
237.12781	5.6
237.16298	7.2
238.13519	4.7
239.14243	14.0
241.12177	3.8
241.15863	6.7
243.13734	6.1
247.14780	3.5
249.12648	4.5
250.13525	6.1
251.10625	5.3
251.14256	16.6
253.15720	6.3
255.14003	5.4
255.17480	11.9
265.15729	23.8
267.13885	4.8
269.15390	11.6
275.89053	3.3
281.15308	5.7
283.16907	29.3
293.15451	26.0
311.16409	69.0
329.17474	32.7
371.18509	100.0
389.19479	22.2
431.20642	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03288	1.9
55.05505	11.1
58.96758	2.3
66.37568	2.1
67.05491	13.0
69.07068	11.1
71.04981	4.2
75.78516	2.4
79.05480	13.6
81.07048	13.0
83.04958	5.8
83.08605	11.2
90.40619	2.2
91.05466	9.7
93.07036	12.8
95.04964	5.9
95.08582	10.6
97.10155	13.1
103.04519	2.2
105.07028	18.6
107.08587	5.9
109.06522	2.7
109.10165	3.6
111.08102	2.5
117.07016	5.4
119.08575	14.0
121.06460	5.1
121.10136	3.7
125.09579	11.3
129.06969	6.3
131.08557	5.3
133.06483	5.9
133.10144	12.4
135.08044	5.3
141.07054	2.7
143.08655	17.9
143.10675	10.5
145.06459	5.9
145.10158	15.0
147.11652	5.0
148.11823	2.9
149.05965	4.1
149.09618	4.8
151.07526	11.6
155.08574	11.9
157.10068	20.0
159.11702	5.9
161.09622	5.3
167.08556	4.8
169.10107	44.7
171.08055	4.5
171.11690	16.3
173.09598	14.5
173.13248	4.2
175.11145	4.6
179.08516	4.3
180.09351	3.3
181.10106	22.0
183.11670	11.7
185.09598	13.0
187.11026	7.5
189.12851	3.3
191.10683	3.2
193.10196	5.0
194.10844	4.6
195.11740	16.5
196.12512	2.9
197.09683	5.6
197.13252	11.6
199.11194	41.6
201.12666	4.0
203.10643	3.0
205.12195	5.0
207.11688	10.8
208.12425	3.4
209.09663	10.8
209.13216	10.0
210.10486	3.3
211.11159	2.8
211.14838	3.6
213.09088	5.6
213.12737	5.5
215.14322	14.3
219.11644	2.9
221.13185	5.4
221.64882	2.6
222.10374	3.5
222.14034	12.8
223.11176	10.0
223.14824	9.6
225.12766	6.0
227.10637	15.4
227.14333	3.2
236.11833	3.5
237.12740	3.7
237.16386	11.3
239.14276	10.7
241.12300	5.5
241.15923	4.1
247.14867	4.0
249.12798	3.7
250.13441	3.8
251.14334	4.0
253.15842	5.2
254.13554	2.7
255.17395	4.6
265.15765	17.3
267.13815	5.1
281.11664	3.1
281.15228	5.0
283.16922	15.3
293.15320	17.4
311.16412	47.6
329.17282	9.2
339.19739	4.6
371.18475	100.0
375.21664	3.6
413.30527	4.2
431.19879	14.4
431.24344	47.6
431.31458	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	431.2068
Annotation	1-Deacetoxy-1-oxocaesalmin C
Peak:m/z	Relative Intensity
62.11522	2.5
62.49113	2.1
67.05489	3.7
67.46325	2.3
69.03400	2.8
69.07066	5.4
79.89880	2.7
81.07056	4.4
83.04973	3.7
88.14433	2.9
91.05452	3.9
93.07056	5.7
95.04935	4.2
95.08595	11.7
97.06518	12.4
99.67168	3.0
105.03385	4.2
105.07024	18.0
107.08579	16.7
109.06536	5.4
109.10146	5.2
117.07032	4.2
119.08562	15.9
121.06475	4.0
121.10165	6.7
123.08057	4.7
129.07027	3.8
131.08591	3.8
133.06480	6.3
133.10121	12.0
135.08041	11.2
137.09644	3.2
143.08556	12.4
145.06448	3.8
145.10136	14.0
147.08075	6.1
147.11749	2.8
149.05934	4.1
149.09612	11.8
151.07550	4.1
155.08539	4.0
157.10092	10.5
159.08069	6.6
159.11737	3.5
161.05911	4.8
161.09564	24.8
163.11203	5.2
169.10141	4.7
171.07985	3.1
171.11696	5.5
173.09544	5.3
175.07530	3.0
181.10075	11.4
183.11670	3.6
185.09676	4.4
185.13173	3.1
188.16257	2.6
191.10638	4.2
193.10136	3.8
195.08044	3.4
195.11708	13.1
197.09685	3.1
197.13327	4.3
199.11217	12.3
207.11678	6.4
208.12459	4.4
209.09525	4.4
209.13181	5.4
211.11015	9.2
213.09157	4.6
213.12738	10.7
215.10672	3.9
221.13324	5.2
223.11125	10.5
223.14728	5.7
225.12727	14.4
227.10727	3.2
236.11946	3.5
237.12813	4.4
237.16402	5.0
239.14346	4.4
241.12343	5.9
241.15768	3.6
247.14999	4.3
249.12614	4.3
250.13580	3.3
251.10672	4.6
251.14420	4.5
253.12195	4.4
255.17247	4.1
260.12027	3.2
265.15765	20.4
267.13773	3.2
269.11847	4.3
269.15384	12.7
275.14526	3.6
278.12976	3.3
281.15247	6.6
283.16919	14.2
293.15451	29.1
311.16437	48.9
329.17493	23.6
353.17404	12.1
371.18478	53.0
389.19427	11.9
431.20560	100.0
431.32428	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	431.2064
Annotation	Kadsulignan N
Peak:m/z	Relative Intensity
55.87619	2.8
59.22551	3.3
66.52037	3.3
67.05530	3.3
69.03425	4.7
69.07053	6.7
79.05468	5.9
81.07027	4.0
92.70162	3.8
93.07030	8.0
95.04953	5.7
95.08608	12.4
97.06520	6.8
105.07040	20.1
107.08587	6.1
109.06516	6.9
117.06985	4.2
119.08614	8.6
121.06492	17.8
121.10181	7.2
123.08078	5.7
129.06984	4.7
131.08545	17.4
133.06502	19.9
133.10100	7.0
135.08075	8.8
143.08583	23.2
145.06511	4.1
145.10114	15.5
147.08066	7.3
149.09633	7.1
155.08498	6.4
157.10144	14.5
159.08025	7.6
161.09601	18.4
163.11131	4.3
167.08548	7.6
169.10074	15.8
171.08040	5.0
171.11681	7.4
173.09583	14.2
175.11160	4.4
177.09117	6.7
181.10126	14.5
182.10899	4.5
183.11722	7.9
185.09586	7.0
185.13292	6.7
185.22871	3.8
187.07452	4.4
189.09135	3.6
192.09351	4.2
193.10149	13.0
195.11674	21.6
196.52129	3.4
197.09637	8.8
199.11183	8.7
201.09181	4.6
207.11682	8.9
209.09612	14.2
209.13281	6.7
211.11230	6.7
211.14774	4.6
213.09128	7.7
213.12672	14.6
214.75093	3.7
222.14067	4.5
223.11197	15.4
223.14784	15.7
225.12715	5.6
227.10678	4.9
227.14304	5.8
229.12225	6.0
232.12463	6.3
235.11201	4.5
237.12753	5.8
237.16348	7.7
239.14272	5.8
241.12213	7.0
241.15872	5.3
250.13448	6.6
251.10783	4.8
251.14159	8.1
253.12106	5.0
265.15842	19.9
267.11169	4.9
269.11801	4.6
269.15231	6.9
281.15540	6.5
283.16891	27.1
293.15521	25.8
311.16467	60.7
329.17410	13.7
371.18677	36.7
389.19714	6.5
431.20572	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	431.243
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.51241	1.7
51.82758	2.0
55.05508	10.7
57.03430	3.8
63.70432	2.0
67.05503	14.9
69.07071	25.1
73.06533	2.2
73.54908	2.4
77.25182	2.1
77.75544	2.1
79.05502	20.9
81.07051	17.0
83.08622	4.8
91.05478	12.4
93.07037	10.7
95.08607	3.8
97.06524	9.9
103.05503	8.2
105.03413	3.3
105.07015	11.8
107.08604	8.7
109.10130	3.4
117.07021	18.1
119.08586	12.2
121.06522	2.9
121.10114	5.2
125.05971	9.1
129.07027	11.2
131.04880	3.1
131.08543	20.0
133.06487	3.0
133.10159	4.7
141.07016	4.7
143.07056	14.9
143.08542	5.1
145.06447	7.9
145.10083	9.2
147.11642	3.0
149.09612	3.0
155.08586	9.2
157.06503	3.5
157.10135	9.3
159.11787	3.6
167.08578	2.7
169.10123	14.3
171.07932	2.6
171.11732	4.3
175.11211	2.9
181.10138	4.5
183.11728	10.7
185.09541	2.9
185.13217	4.4
187.11040	3.1
187.14880	2.8
190.88145	2.6
195.11734	9.1
197.13272	3.9
199.09621	5.0
209.13313	3.5
215.14346	13.7
223.11105	2.5
223.15331	2.3
224.75441	2.0
241.12175	7.4
259.13248	4.3
311.20203	3.2
315.15851	7.5
333.17026	2.4
339.19604	4.9
357.20639	2.8
369.03891	2.4
413.23233	44.6
431.24182	100.0
436.30826	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	431.2791
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
53.04862	2.1
57.03415	4.7
58.37098	2.3
61.13663	2.2
66.69719	2.5
67.05500	11.0
69.03417	12.7
69.07064	4.6
69.57801	2.4
69.91710	2.4
71.64383	2.4
72.00085	2.7
79.05482	6.5
81.03420	37.4
81.07056	20.3
91.05463	5.2
93.07043	39.7
95.04972	24.8
95.08610	21.5
105.07028	17.1
107.08598	45.0
107.53150	2.8
109.10144	14.1
113.00011	76.5
119.04939	5.0
119.08586	23.0
121.10130	14.8
123.11706	3.1
131.08540	6.5
133.06461	5.1
133.10146	37.1
135.08041	83.3
143.08575	5.1
145.06493	4.6
145.10078	15.7
147.11693	15.3
149.13258	3.5
157.10121	3.8
159.11656	5.1
161.09604	100.0
161.13266	3.9
163.11148	13.5
166.57286	2.9
169.02589	82.1
169.03972	4.8
173.13213	6.5
175.11195	3.2
189.12674	4.8
192.49069	2.7
199.14772	5.9
201.12871	3.9
209.13278	3.9
213.12440	3.3
223.14706	3.3
241.15906	3.3
255.20894	3.5
263.23627	3.5
265.19458	3.6
283.20572	53.0
328.22253	2.8
343.22726	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	431.2794
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
64.41391	1.9
67.05482	4.6
69.03416	12.3
69.41739	2.1
70.02724	2.1
78.11417	2.0
79.05486	4.6
81.03423	47.2
81.07040	12.0
83.08649	2.4
91.05477	12.2
93.07034	57.5
95.04980	25.0
95.08595	22.3
105.07024	14.5
107.08575	44.0
109.06530	2.9
109.10156	9.7
115.36476	2.1
117.06989	4.9
119.04947	4.6
119.08596	24.0
121.10118	15.2
123.11645	3.3
131.08575	10.0
133.06479	11.6
133.10126	35.6
135.07062	4.5
135.08049	100.0
135.11664	8.2
137.09566	2.7
143.08566	10.2
145.06480	5.5
145.10130	14.3
147.08078	2.7
147.11740	9.6
157.10126	3.6
159.08006	3.0
159.11681	5.1
161.09601	94.2
163.11194	12.3
171.11656	9.5
173.13222	9.4
175.11055	2.9
181.10106	2.3
183.11646	2.6
185.13290	2.8
197.13199	2.8
201.12729	9.8
209.13264	3.8
227.14355	4.7
240.15331	2.6
241.15845	3.3
255.17226	2.5
255.21193	4.1
265.19391	4.0
283.20544	47.3
343.22534	12.2
349.64896	2.7
370.41589	2.4
451.62753	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	431.2795
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
55.01858	1.1
55.05526	1.3
71.04995	1.6
79.05479	1.6
81.07038	3.2
85.06536	8.4
86.67702	1.4
91.05481	2.1
93.07047	13.5
95.04958	2.0
95.08604	12.6
105.07027	8.7
107.08575	8.3
108.57531	1.2
109.06513	1.5
109.10130	2.6
111.08070	6.6
113.09643	37.1
119.08570	6.9
121.06438	3.1
121.10123	8.5
123.08096	2.5
127.88425	1.3
129.07001	1.6
131.08586	7.3
133.06453	2.2
133.10146	12.8
135.08043	2.6
135.11647	2.7
137.05971	2.3
143.08551	2.1
145.10164	10.2
147.08038	5.8
147.11613	2.1
154.10876	1.3
155.08566	2.9
157.10037	4.6
159.08069	2.3
159.11700	9.2
161.09598	6.5
161.13260	2.4
163.11168	1.9
169.10094	4.9
171.11684	5.5
173.09589	10.6
173.13251	2.6
179.08539	2.2
181.10138	3.0
183.11707	1.9
185.09587	1.7
185.13301	1.6
187.11169	2.6
187.14871	2.8
189.09088	1.8
191.10635	5.4
195.11685	2.6
197.09634	1.8
197.13234	3.1
199.11218	2.7
207.11740	2.5
208.12415	2.0
209.09541	2.5
209.13300	2.6
211.11169	2.4
211.14824	1.7
213.12769	5.9
215.14275	3.1
217.12289	1.9
219.11726	1.6
223.11159	2.0
223.14810	3.1
225.12715	3.3
227.10808	1.5
229.12117	1.5
231.13751	1.8
233.15414	5.3
235.14816	1.5
237.16379	3.0
239.14305	2.4
239.17908	1.6
245.15396	1.5
247.14871	2.8
249.12704	1.7
251.14343	1.8
255.17740	2.2
265.15897	8.3
283.16898	18.9
301.17960	75.0
311.16397	7.3
327.19452	2.1
328.20181	2.1
371.18384	2.4
377.24799	5.7
385.23828	5.7
395.25793	12.9
413.26849	100.0
431.20703	11.8
431.27893	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2794
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.05511	15.9
57.56992	3.0
58.32358	3.1
67.05498	4.9
69.07053	22.6
81.07049	3.7
83.08605	5.6
87.04951	3.3
89.69785	3.9
92.18526	5.8
95.08582	7.4
105.21362	3.9
109.10170	3.6
113.00023	6.6
121.10143	4.9
123.78975	3.5
153.01801	33.7
169.02611	7.7
170.59972	3.6
177.52016	4.2
181.36938	4.0
205.04974	8.6
222.01553	3.9
231.06580	5.6
289.14154	5.2
317.17075	5.8
329.17523	4.2
413.26907	23.9
431.27811	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	431.3133
Annotation	Hecogenin
Peak:m/z	Relative Intensity
59.11562	0.6
70.77335	0.6
73.22233	0.6
95.08581	1.0
114.00697	0.7
142.37682	0.6
149.02075	11.5
151.07520	0.9
186.33585	0.7
220.03717	0.7
305.28064	1.4
334.67490	0.7
431.31290	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	431.3156
Annotation	Pennogenin
Peak:m/z	Relative Intensity
52.45840	1.1
55.05519	2.1
57.07084	10.0
67.05499	1.9
69.07053	6.5
70.72301	1.5
71.08635	18.8
71.17992	1.4
79.05494	3.1
81.07059	100.0
83.08614	1.8
90.62188	1.2
91.05449	2.7
92.17832	2.3
93.07034	11.1
95.08607	13.5
99.08081	16.8
105.07018	8.8
107.08591	9.7
109.06496	1.7
109.10158	14.6
111.08046	1.3
119.08572	6.3
121.06509	2.7
121.10134	9.2
123.08076	1.9
131.08557	5.9
133.10103	7.6
135.08035	2.0
135.11696	5.1
142.08009	1.5
143.08551	5.6
145.10097	10.4
147.11699	9.4
155.08519	2.3
157.10107	5.8
159.08035	2.0
159.11653	3.0
161.09641	4.9
161.13254	2.6
165.12753	1.7
169.10094	1.9
171.11670	6.4
173.09619	10.9
173.13203	2.7
175.11255	2.2
181.10191	1.8
183.11664	2.8
185.13203	2.0
187.11153	2.1
187.14789	3.3
195.11673	2.2
197.13258	2.3
199.14841	3.0
209.13315	3.2
213.12750	1.9
227.14362	2.8
239.17960	6.3
241.15984	1.6
243.35612	1.5
249.16335	2.3
257.18979	2.7
267.17313	9.5
283.16794	1.8
285.18463	7.3
297.22122	6.9
303.19476	5.6
315.23083	9.8
389.19693	2.6
395.29361	8.8
413.30432	36.7
431.31552	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3155
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
52.72694	1.6
55.05512	9.8
61.71879	1.8
67.05499	11.6
69.07053	4.9
79.05476	12.1
81.07056	28.3
83.04966	2.4
83.08589	3.2
91.05466	10.6
93.07043	17.5
95.08605	18.9
97.10163	23.4
100.17133	2.1
103.05475	8.6
105.03400	14.8
105.07037	19.3
105.19913	2.2
107.08620	18.3
107.09234	2.8
109.06504	2.8
109.10130	9.5
111.08114	2.2
117.07008	8.9
119.08558	16.7
121.06483	9.7
121.10139	4.7
123.11708	2.8
124.24409	2.0
125.09612	14.1
129.07019	4.1
131.08549	20.5
133.10106	13.4
135.08052	11.4
141.06931	3.8
143.08531	11.3
145.06467	4.2
145.10126	21.2
147.11670	27.6
151.68405	2.5
155.08488	3.6
157.10120	12.9
159.08081	4.5
159.11722	16.7
161.09628	4.3
161.13217	3.0
167.08614	2.9
169.10094	13.1
171.08147	2.5
171.11711	5.3
173.09576	22.2
173.13144	2.8
175.11205	5.0
181.10127	3.5
183.11722	4.2
185.09581	12.2
185.13216	2.9
187.11192	36.7
189.09190	2.5
189.11176	2.8
191.10646	3.0
191.81569	2.2
193.10164	2.5
196.12175	2.3
197.13071	2.3
199.11108	2.7
201.12775	3.6
207.11787	3.5
209.13318	5.1
211.11182	3.5
213.12671	3.1
223.11258	2.2
223.14819	3.3
227.14331	14.1
237.12790	3.5
239.17950	5.0
249.16385	3.8
267.17380	23.2
285.18536	26.8
293.19073	2.1
303.19537	4.8
308.65375	2.6
313.25162	3.2
330.25436	2.3
331.15689	2.1
335.27359	2.3
339.19547	4.2
349.16904	4.7
353.28226	3.9
355.26453	2.6
367.17935	2.7
371.29276	2.8
377.28299	4.7
395.29187	19.8
413.23108	17.6
413.30542	62.1
431.18918	5.2
431.24283	30.8
431.31500	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	431.3517
Annotation	Cerevisterol
Peak:m/z	Relative Intensity
50.27472	5.9
55.05521	16.2
57.07087	7.9
63.09848	7.0
67.08878	7.2
68.35799	10.2
69.07072	76.7
69.77750	7.9
71.70828	6.9
81.07027	15.6
83.08607	37.8
95.08594	17.1
97.10177	18.9
109.10104	9.0
111.82253	7.8
127.57384	8.5
139.07553	7.8
149.21680	8.7
151.07545	38.8
167.07042	100.0
191.10742	9.7
214.10490	7.9
224.08580	7.7
246.85735	7.7
246.96002	7.7
413.33972	14.0
431.35132	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
65.38188	0.4
69.03421	2.9
71.05009	0.4
73.02916	0.6
78.03448	2.8
79.85162	0.4
81.03432	4.3
81.07078	0.5
85.02900	4.0
91.05474	0.8
97.02864	0.8
98.39082	0.4
99.04433	0.7
106.02203	0.8
106.02914	22.5
109.02889	5.7
119.04931	9.2
121.06493	7.6
123.04412	6.5
123.59151	0.5
124.03943	30.0
127.03897	1.8
127.39090	0.5
147.04399	100.0
151.03900	2.9
164.76123	0.6
165.05460	2.2
217.15828	0.6
219.10146	3.7
250.07127	4.2
252.72417	0.6
268.08154	17.7
388.13800	0.9
414.11749	6.3
432.12802	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	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
61.02899	0.6
69.03433	11.7
69.61050	0.7
70.06592	0.7
71.04987	0.9
73.02879	1.1
78.03435	3.6
81.03422	16.9
81.81610	0.7
85.02914	9.9
96.04465	0.7
97.02880	5.7
97.03876	0.8
99.04452	3.0
106.02918	59.8
109.02884	15.6
111.04388	1.6
121.02942	0.8
124.03952	100.0
127.03914	5.5
129.05472	0.8
147.04424	4.8
147.06516	0.9
163.03896	4.7
191.03825	1.7
194.57059	0.7
232.05908	1.4
250.07080	12.2
268.08154	37.3
314.38715	0.8
314.53049	0.9
396.13007	13.3
414.14038	1.4
432.15054	37.7
432.20331	1.9
454.87830	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	432.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25731	1.0
53.47673	1.1
67.39342	1.1
68.46207	1.0
70.06586	1.2
78.67387	1.2
79.66060	1.2
82.06575	1.2
90.05558	2.3
95.08603	2.3
100.03973	2.6
102.05560	1.2
123.04424	20.5
124.07574	2.1
125.48103	1.0
135.09117	1.0
137.95456	1.0
142.08624	7.6
147.04402	8.0
149.09627	1.8
160.86562	1.3
161.05956	1.4
163.07532	35.0
165.05446	11.2
173.06003	5.9
175.07545	1.3
179.07031	2.3
187.07504	1.2
191.07021	55.9
193.08575	2.3
202.08646	5.3
203.07034	7.1
207.13812	8.1
220.09679	16.2
221.08101	1.5
257.80856	1.1
262.10751	11.5
280.11786	66.0
280.14874	2.3
292.11981	1.8
317.10165	2.6
325.10803	2.1
330.27960	1.2
336.67731	1.1
414.15308	1.4
432.16516	100.0
450.86411	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	432.1655
Annotation	Glycocitrine V
Peak:m/z	Relative Intensity
56.72662	0.9
56.78784	0.9
65.62239	1.0
70.06573	2.1
73.02911	1.4
81.03419	1.4
81.28556	1.0
84.04485	1.4
85.02887	1.3
86.09647	1.1
86.10543	1.0
99.75395	1.1
100.03963	2.2
102.05510	1.7
123.04414	18.5
124.03916	2.3
124.07585	2.2
138.55128	0.9
142.08612	6.5
143.77924	1.1
147.04413	11.9
163.03847	1.9
163.07521	40.4
165.05429	6.3
167.08278	1.1
170.67711	1.1
173.05980	6.3
173.23686	1.1
175.07520	2.3
176.41893	1.1
179.06970	2.1
184.07541	1.1
191.07018	56.8
200.53845	1.0
202.08632	4.3
203.07120	1.9
220.09686	11.7
236.12788	2.0
262.10678	10.0
280.11758	61.1
292.11703	1.4
299.08813	1.1
319.44025	1.3
325.10727	2.2
370.23264	1.1
414.15314	1.4
432.16470	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	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10518	0.6
57.93533	0.6
69.03468	0.6
72.08144	0.6
76.60944	0.6
85.02898	0.8
95.08158	0.7
103.05447	3.3
103.78036	0.6
107.04954	5.9
109.02902	0.7
120.08099	100.0
120.42328	0.6
122.08100	3.0
124.03974	1.0
131.04906	3.6
133.25882	0.7
149.05988	3.9
166.08623	60.0
181.17398	0.6
249.85130	0.7
270.13266	1.3
432.18304	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	432.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22338	0.5
52.35576	0.5
54.03402	0.5
55.01869	0.5
55.05478	0.6
57.03429	1.5
61.02915	0.9
69.03430	7.4
69.48621	0.6
83.04978	3.6
85.02895	3.1
89.27623	0.6
91.05473	1.4
92.18486	0.7
94.27439	0.6
107.08585	16.9
111.04442	3.1
111.09624	0.7
112.28729	0.6
119.08572	100.0
129.05479	2.5
133.06493	1.4
135.08041	36.5
144.00143	0.6
145.30673	0.6
147.06509	1.3
281.13864	3.0
302.34161	0.6
318.71225	0.6
325.23553	0.6
350.35489	0.6
415.21167	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	432.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02071	1.9
54.95558	1.9
57.07069	8.6
62.12788	2.1
71.04994	11.6
78.60610	2.4
83.05003	25.5
101.05984	12.8
105.03389	34.7
106.03732	9.9
115.22184	2.2
119.08557	3.0
175.01552	89.9
181.02589	2.5
199.30664	2.4
227.04716	5.7
231.07809	15.3
274.94589	2.6
275.06662	19.9
331.13049	81.9
347.50610	2.3
359.37006	2.8
387.19260	100.0
432.18857	14.2
432.25107	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76453	2.0
55.76971	1.9
56.26839	1.9
58.73936	1.9
60.14767	2.3
65.23563	2.0
79.85373	2.1
86.07202	2.1
95.08633	21.3
111.16284	2.2
113.06001	4.9
123.04436	22.5
123.08039	9.9
137.09615	2.9
142.08592	3.1
145.06395	2.5
146.20364	2.6
147.04396	12.7
149.06015	3.4
149.09637	10.3
152.72682	2.7
163.07524	31.0
163.11021	2.5
165.05484	10.8
165.12837	2.9
173.05942	2.7
179.06995	4.6
189.12721	3.5
191.07030	62.4
192.84048	2.4
202.08493	3.4
203.06993	4.3
207.13797	47.2
220.09676	21.6
225.14816	3.1
262.10754	5.7
280.11786	67.0
280.14807	2.3
325.10641	5.0
337.00397	2.6
396.15085	2.5
432.16455	100.0
432.25491	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	432.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37655	0.9
62.28694	0.9
63.64277	1.2
66.04657	0.9
73.06548	1.1
75.01289	1.1
77.34685	1.1
84.27687	1.3
87.04452	6.0
89.06028	100.0
92.18430	1.4
102.84716	1.1
133.08604	36.4
147.04408	1.5
155.81941	1.0
177.11157	11.2
221.13907	1.6
280.08206	1.5
311.09637	1.1
371.22589	1.4
415.25375	65.2
416.33936	1.1
432.18796	1.9
432.28580	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	432.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04840	0.7
60.21250	0.7
68.95849	0.7
71.96936	0.7
79.86900	0.8
82.83765	0.9
109.10149	1.0
122.07259	1.8
135.08023	1.1
150.06752	21.5
151.07541	100.0
152.08365	7.7
163.07399	1.0
164.08340	4.0
175.07527	1.3
177.09151	1.1
181.78200	0.9
191.10678	19.9
205.12358	1.3
373.26382	0.9
414.34869	2.0
415.89725	0.9
432.35989	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89389	0.9
72.97839	1.3
95.02852	1.1
95.08592	2.1
96.78986	1.1
100.27869	1.2
107.62144	0.9
109.10154	2.0
121.16088	1.0
123.08110	1.5
129.02242	1.2
135.39857	0.9
138.06870	1.2
150.06763	23.8
150.57822	1.0
151.07535	100.0
152.08316	9.0
164.08339	2.0
175.07555	1.4
177.09048	1.2
189.09134	2.2
191.10643	20.8
205.12242	2.5
226.87901	1.1
395.14160	1.0
414.34921	65.4
432.35782	2.0
457.48856	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	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.41470	0.3
53.63387	0.4
54.53062	0.4
57.03422	2.5
62.36543	0.4
62.96894	0.4
68.79212	0.4
71.04992	20.0
83.04962	0.5
85.02901	22.0
105.07027	0.4
111.04414	0.6
121.06458	0.6
123.08025	0.5
129.05463	5.3
133.06517	0.8
145.10138	0.5
147.06459	0.6
147.08113	0.5
153.01770	0.6
161.09598	0.6
219.13728	0.5
271.05807	0.5
287.05469	100.0
295.16965	0.8
333.35608	0.4
334.34518	0.4
373.20157	2.3
391.21167	1.7
391.75296	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	LMPK12110338
Peak:m/z	Relative Intensity
51.85622	0.8
54.45100	1.0
55.15166	1.0
66.95641	0.9
67.12867	1.0
81.66079	1.0
85.02887	1.3
94.99163	1.4
101.12232	1.1
102.33737	1.1
121.02837	2.7
138.11989	1.2
165.01927	1.6
217.04939	1.5
240.78746	1.2
267.06555	2.6
270.05191	1.6
271.05978	7.0
281.08154	4.0
283.06000	100.0
284.06815	6.7
295.06116	11.7
295.09229	1.9
297.07501	2.5
305.08118	1.6
309.07513	20.5
313.07031	94.1
319.16858	1.2
323.05490	2.0
323.09058	26.1
333.07593	2.0
337.07043	31.9
337.10971	1.7
343.08307	1.3
349.07101	12.2
351.08621	5.4
361.07056	9.3
367.08167	16.7
379.08090	15.4
384.17859	1.2
390.56091	1.2
397.09073	15.5
415.10196	23.4
433.11307	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.78877	0.2
55.20580	0.2
61.42058	0.2
122.79770	0.2
125.80441	0.2
153.01817	0.4
271.05991	100.0
311.42007	0.2
404.41916	0.2
433.11224	4.1
446.30911	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	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41470	0.3
53.63387	0.4
54.53062	0.4
57.03422	2.5
62.36543	0.4
62.96894	0.4
68.79212	0.4
71.04992	20.0
83.04962	0.5
85.02901	22.0
105.07027	0.4
111.04414	0.6
121.06458	0.6
123.08025	0.5
129.05463	5.3
133.06517	0.8
145.10138	0.5
147.06459	0.6
147.08113	0.5
153.01770	0.6
161.09598	0.6
219.13728	0.5
271.05807	0.5
287.05469	100.0
295.16965	0.8
333.35608	0.4
334.34518	0.4
373.20157	2.3
391.21167	1.7
391.75296	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	433.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32451	1.0
56.85685	0.9
56.96564	1.8
58.61150	0.9
60.08518	1.1
68.83501	1.0
70.83819	1.2
81.05666	1.1
89.41354	1.0
98.97578	50.8
98.98193	2.3
113.50363	1.2
115.07070	1.2
116.98615	15.2
124.99121	1.5
127.77252	1.2
131.00166	9.5
134.99643	1.3
141.56779	1.0
143.00165	8.3
149.01132	8.5
155.00175	4.5
158.99644	28.0
161.01218	23.3
161.61360	1.2
173.01212	5.9
177.00735	8.7
179.02271	34.2
183.53944	1.2
185.01256	2.5
191.00851	1.2
191.02341	12.3
197.03287	8.3
209.03323	21.1
217.51704	1.3
221.03314	49.4
227.04491	2.3
236.03535	4.9
239.04367	100.0
251.04327	8.6
257.05441	9.6
259.99677	2.1
274.97531	3.8
281.05426	82.6
292.98694	1.4
299.06451	4.6
373.10175	74.2
391.10513	1.4
430.56433	1.4
433.12399	2.0
442.12070	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	433.1281
Annotation	Torin 2
Peak:m/z	Relative Intensity
60.28768	0.3
63.51612	0.3
72.57877	0.4
88.72173	0.4
105.03378	0.4
135.04416	42.8
163.07513	2.0
169.00459	0.4
259.06076	0.5
269.04312	0.6
294.92123	0.4
301.07031	2.3
373.10675	0.4
387.08542	3.2
390.11151	0.5
391.11789	6.9
401.10196	13.7
414.61087	0.4
418.10526	0.5
433.12811	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	433.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
53.40557	0.4
53.64019	0.4
54.91358	0.4
55.01880	0.6
55.40707	0.5
58.52488	0.4
69.03430	7.5
70.16549	0.4
70.74136	0.5
77.03921	0.9
79.05473	1.1
81.03420	6.6
84.87012	0.4
85.02916	3.9
85.03327	0.4
95.04960	5.6
97.02893	6.0
99.04491	0.7
103.03941	0.9
105.03391	100.0
105.07010	0.7
107.04925	0.8
109.02876	4.6
111.04485	0.6
123.04400	3.2
127.03867	1.0
131.04918	2.3
137.05977	20.2
137.07039	0.7
141.07014	1.8
145.06494	2.2
147.04396	2.3
149.05969	3.6
151.03906	9.0
163.07584	2.4
165.05482	0.6
169.06432	4.1
175.07593	3.6
176.04695	0.6
177.05444	9.9
179.07088	1.1
187.07559	2.6
191.07031	4.6
197.06032	2.7
201.05481	0.7
201.09123	3.2
203.07011	6.7
205.08667	0.8
215.06999	4.5
217.08661	0.5
229.08559	8.1
233.08083	9.6
245.08130	0.8
247.09660	1.0
249.07536	5.5
257.08133	5.8
267.08688	2.3
271.06061	2.3
271.09729	2.2
275.09207	2.4
293.10175	3.9
397.12833	0.5
415.13531	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	433.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
54.78821	0.7
57.03415	1.0
60.78510	0.6
61.02911	1.1
67.05516	0.7
69.03427	6.6
70.59905	0.6
71.05028	0.8
71.60835	0.7
75.04462	1.1
77.03916	1.0
79.05494	7.7
81.03423	5.6
82.43802	0.7
83.04971	1.5
85.02905	15.3
90.29241	0.7
95.04978	3.4
97.02894	3.3
101.59171	0.7
102.31792	0.7
105.03387	100.0
109.02864	7.4
113.05988	3.5
123.04415	24.6
123.50150	0.8
127.03894	7.5
131.07030	4.3
145.83893	0.7
149.08104	2.7
167.09152	1.8
231.06442	1.9
249.07611	5.1
267.08609	34.8
267.11301	1.5
295.26791	0.8
359.13104	1.5
360.74197	0.8
433.16934	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	433.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.99584	5.4
74.23811	1.1
76.02229	6.3
76.74680	1.2
79.05476	1.4
81.07066	22.5
82.73356	1.1
84.04502	23.0
85.02920	1.9
86.00669	1.4
86.64668	1.2
86.99048	6.5
88.02206	1.8
93.07034	1.4
95.06077	8.8
99.08076	10.9
105.03378	11.9
108.08161	1.8
112.89745	1.3
113.04220	2.1
116.01678	69.6
116.84887	1.4
129.06569	7.3
130.04984	7.0
131.05267	3.1
139.05763	2.2
142.03194	1.8
144.01143	47.6
156.08429	8.7
157.06813	8.6
162.02187	100.0
174.09502	4.7
183.09439	1.4
184.07899	29.9
192.02013	1.4
201.10515	17.5
260.09500	2.6
267.08536	4.4
287.07547	2.3
287.10571	29.3
304.13229	55.1
358.14243	12.4
433.11523	1.5
433.17416	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89539	1.0
56.88794	1.1
57.03434	1.4
58.99583	5.5
74.78107	1.2
76.02225	5.1
76.78028	1.2
81.07056	20.4
83.06085	1.6
84.04507	21.2
86.00656	1.8
86.99050	5.8
95.06081	5.7
99.08076	10.6
116.01673	60.9
117.65259	1.2
123.04408	1.6
123.51427	1.1
129.06575	7.6
130.04968	5.6
131.05290	2.3
139.05698	1.5
142.03180	1.8
144.01137	46.1
156.08412	4.8
157.06808	10.3
158.92923	1.3
162.02182	100.0
166.06851	4.8
167.05254	1.7
174.09473	2.9
180.13741	1.2
184.07913	25.5
201.10544	21.4
216.06972	1.5
260.09421	1.4
287.10556	29.5
304.13242	52.9
358.14288	14.4
433.17444	51.7
439.87531	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	433.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29266	0.8
55.05515	1.1
57.03439	1.3
58.99590	7.8
59.06072	0.8
68.67474	0.8
69.03401	0.7
70.07166	1.0
73.01120	1.1
76.02239	5.8
76.03997	3.4
79.05486	1.5
80.43312	0.8
81.07055	23.8
83.06089	0.9
84.04502	24.7
85.02960	0.9
86.00639	1.2
86.99059	8.0
88.02215	1.0
91.05460	0.8
95.06091	6.6
95.08585	1.2
99.08086	10.1
102.05505	0.9
108.08126	1.6
113.01679	1.0
113.04195	3.4
114.03746	1.7
116.01673	64.1
122.09632	1.0
124.03918	1.0
129.06564	7.6
130.05006	8.0
130.06937	0.9
131.05255	3.7
137.06023	3.0
139.05814	1.6
140.05283	1.6
140.10608	0.8
141.05469	13.1
142.03244	2.1
144.01134	42.2
147.04410	1.7
147.68587	0.8
156.08423	11.7
157.06787	10.8
162.02182	100.0
165.05382	1.5
166.06836	1.0
166.08749	1.1
174.09467	3.4
184.07898	29.6
201.10541	23.0
216.06850	1.0
260.09506	1.4
287.10574	18.6
304.13223	57.8
358.14355	15.3
391.17111	0.9
413.92953	1.0
416.14954	1.2
433.17340	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63931	1.1
58.40056	1.0
66.00032	1.2
69.03418	1.5
80.87128	1.4
81.07042	1.6
83.04972	1.7
91.05484	1.5
94.63671	1.2
95.04958	2.3
95.08596	2.0
97.06505	1.7
99.04439	1.5
105.07053	1.7
107.04989	1.9
107.08598	1.8
109.06525	2.1
119.08554	2.9
121.06490	1.8
123.08044	1.4
125.05976	2.6
126.76146	1.3
131.08582	2.8
133.10095	1.9
135.08060	1.8
135.92755	1.2
143.08565	7.0
145.06525	3.1
147.08051	5.1
155.08519	5.3
157.10165	4.1
159.08028	17.6
161.09605	1.3
165.07031	1.6
167.08614	1.8
169.10114	6.6
171.08031	8.7
171.11647	1.7
173.09673	4.6
178.07875	1.3
179.08568	1.8
181.10144	7.8
182.10744	1.3
183.08049	2.5
183.11671	6.0
185.09579	5.2
187.11136	1.4
192.09293	2.7
193.10123	5.7
194.07225	1.2
195.07977	2.1
195.11659	2.9
196.08836	2.3
197.09604	15.9
197.13284	7.2
198.10281	1.3
199.07573	2.7
199.11203	15.7
207.11749	10.2
209.09608	17.7
210.10391	10.6
211.11169	22.0
213.12746	7.8
220.08945	1.6
223.11194	10.9
225.12744	28.5
227.10680	8.0
229.12195	2.1
235.11188	12.4
238.09909	1.4
241.12236	7.1
246.60692	1.2
253.12225	39.7
267.64496	1.4
271.13272	17.6
285.18512	6.4
295.16809	2.8
313.14362	7.1
313.17972	9.5
331.15363	7.1
331.19180	2.4
341.06580	1.5
373.16110	1.8
373.20270	2.9
391.17474	100.0
433.09039	1.8
433.21872	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	433.186
Annotation	Effuside IV
Peak:m/z	Relative Intensity
58.48153	2.8
66.02036	2.8
79.97595	3.3
82.15622	2.9
97.98369	3.3
105.07034	13.3
109.10196	3.1
115.93868	3.1
131.08572	3.9
141.06949	5.1
143.08575	14.5
145.06503	4.3
155.08568	43.2
156.09340	4.0
159.08093	5.5
167.08459	4.6
168.09319	16.4
169.10124	27.2
171.08055	8.0
173.09607	6.9
181.10121	28.9
182.10939	20.7
183.11687	73.7
184.98352	3.4
185.09621	3.4
192.09355	21.9
195.11694	22.0
197.09579	14.8
197.13243	84.7
199.11203	30.6
207.11732	32.8
209.09613	15.6
210.10416	16.5
211.11154	30.6
225.12747	73.4
227.10670	17.4
235.11150	17.9
241.12260	5.1
247.00124	3.6
253.12227	100.0
271.13269	21.8
313.14291	17.8
313.17676	3.8
428.83496	3.3
433.22507	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	433.1858
Annotation	Effuside III
Peak:m/z	Relative Intensity
59.68263	2.3
73.47617	2.7
91.05499	4.1
93.07069	3.0
95.04987	12.6
99.04450	3.2
105.02739	5.2
105.03375	50.6
105.07066	3.9
107.01414	2.8
108.62015	2.9
109.06545	2.9
111.96653	3.3
115.62511	3.2
117.07014	11.6
121.06493	3.2
128.06177	5.0
129.06985	6.3
131.08557	5.0
132.35971	3.0
137.20621	3.0
141.07002	3.7
143.08534	24.8
145.06456	21.6
145.10092	3.8
153.06990	5.0
155.08545	19.1
159.08060	22.8
161.09601	5.0
165.06886	4.8
166.07744	11.2
167.08513	6.3
168.09419	3.6
169.10088	17.1
171.08015	39.8
171.11632	4.2
173.09627	6.6
175.07516	5.7
178.07845	3.7
179.08585	13.5
180.09323	5.2
181.10120	27.2
182.10904	4.2
183.08017	4.7
183.11719	11.7
185.09628	16.6
192.09373	15.5
195.08015	5.9
195.11656	27.8
196.08876	11.4
197.09605	34.5
197.13203	14.6
198.10391	12.7
199.07523	7.1
199.11174	100.0
201.12769	3.0
207.11678	17.0
209.09633	23.9
210.10376	13.9
211.11160	93.8
212.51668	3.3
214.87048	2.9
223.11205	21.9
225.12712	56.2
227.10652	63.8
235.11208	18.9
241.12234	13.6
243.13815	5.2
253.12193	60.2
271.13327	40.9
311.16418	6.6
313.14264	38.6
331.15442	22.9
433.19330	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	433.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63931	1.1
58.40056	1.0
66.00032	1.2
69.03418	1.5
80.87128	1.4
81.07042	1.6
83.04972	1.7
91.05484	1.5
94.63671	1.2
95.04958	2.3
95.08596	2.0
97.06505	1.7
99.04439	1.5
105.07053	1.7
107.04989	1.9
107.08598	1.8
109.06525	2.1
119.08554	2.9
121.06490	1.8
123.08044	1.4
125.05976	2.6
126.76146	1.3
131.08582	2.8
133.10095	1.9
135.08060	1.8
135.92755	1.2
143.08565	7.0
145.06525	3.1
147.08051	5.1
155.08519	5.3
157.10165	4.1
159.08028	17.6
161.09605	1.3
165.07031	1.6
167.08614	1.8
169.10114	6.6
171.08031	8.7
171.11647	1.7
173.09673	4.6
178.07875	1.3
179.08568	1.8
181.10144	7.8
182.10744	1.3
183.08049	2.5
183.11671	6.0
185.09579	5.2
187.11136	1.4
192.09293	2.7
193.10123	5.7
194.07225	1.2
195.07977	2.1
195.11659	2.9
196.08836	2.3
197.09604	15.9
197.13284	7.2
198.10281	1.3
199.07573	2.7
199.11203	15.7
207.11749	10.2
209.09608	17.7
210.10391	10.6
211.11169	22.0
213.12746	7.8
220.08945	1.6
223.11194	10.9
225.12744	28.5
227.10680	8.0
229.12195	2.1
235.11188	12.4
238.09909	1.4
241.12236	7.1
246.60692	1.2
253.12225	39.7
267.64496	1.4
271.13272	17.6
285.18512	6.4
295.16809	2.8
313.14362	7.1
313.17972	9.5
331.15363	7.1
331.19180	2.4
341.06580	1.5
373.16110	1.8
373.20270	2.9
391.17474	100.0
433.09039	1.8
433.21872	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	433.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74543	0.7
53.03948	2.2
55.05508	0.8
56.05368	0.9
56.25041	0.8
59.05764	0.9
60.98597	0.9
61.68522	1.0
69.03426	3.9
80.38642	1.1
81.07036	1.1
87.86890	0.9
91.05460	1.4
95.04929	7.3
95.08601	1.3
105.03387	100.0
105.04486	3.3
105.07014	4.0
107.08588	1.6
117.06951	1.1
119.08596	1.8
121.06491	5.8
123.08028	2.0
131.08591	1.5
133.06453	1.5
135.08060	1.7
143.08540	4.0
144.09329	1.2
145.10066	2.2
147.08028	2.3
149.09618	1.3
157.10074	2.4
159.08063	5.1
161.09596	6.5
167.08585	1.3
169.10136	1.8
171.08031	4.1
171.11766	1.0
173.09584	3.9
179.08559	1.6
181.10118	4.9
183.11598	1.1
185.09653	4.4
193.10167	1.9
195.11685	8.0
197.09612	3.7
197.13211	1.4
199.11128	2.0
207.11784	1.1
208.12521	1.7
209.09607	3.9
209.13257	4.0
211.11169	3.8
213.12715	1.8
217.10065	1.4
221.13196	1.2
222.10471	1.1
223.11160	7.4
223.14839	4.2
224.11972	1.1
225.12679	1.7
232.12396	1.6
235.11148	1.7
235.14893	1.5
236.11903	1.4
237.12770	4.2
239.14275	2.4
241.12213	1.4
241.15831	1.5
247.14729	1.3
249.12895	1.5
251.10660	1.7
251.14317	6.6
255.10168	1.2
260.12012	1.8
265.15759	7.9
267.13806	2.2
269.15265	4.3
275.14340	1.6
278.13153	1.8
281.15335	14.4
283.16904	2.3
293.15396	21.2
311.16336	29.9
433.20108	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Sinuolatin D
Peak:m/z	Relative Intensity
55.05515	6.8
58.99493	3.6
61.83553	4.2
67.05507	9.8
68.99784	15.8
69.03426	5.8
69.07056	3.8
79.05488	17.8
81.07061	18.8
83.04967	8.6
93.07031	19.0
95.04962	18.4
95.08593	5.2
97.02867	18.9
97.06525	18.1
99.04482	4.8
105.03390	20.9
105.07032	23.9
107.04969	9.9
107.08574	24.8
109.02851	3.7
109.06506	17.2
109.10166	9.5
111.04427	4.6
117.06962	6.8
119.08578	23.1
121.06476	7.2
121.10116	22.6
123.04422	6.0
123.08091	9.6
125.05976	37.2
129.07033	6.9
131.08533	9.0
133.06534	7.4
133.10124	9.9
135.08041	9.1
137.09618	9.2
143.08549	15.3
145.06485	7.3
145.10085	21.3
147.08054	8.0
147.11693	7.8
149.09631	25.3
151.11214	4.7
155.08543	5.3
156.09265	4.9
157.10126	18.6
159.08076	18.0
159.11681	27.8
161.05988	4.9
161.09560	18.7
161.13185	4.9
163.07468	5.6
171.08115	5.4
171.11693	17.5
173.09612	10.4
173.13234	9.2
177.09135	9.0
177.12790	19.7
179.10602	4.1
182.10902	6.1
183.11688	18.3
185.13327	6.8
187.11153	15.8
189.12737	9.4
195.11734	5.6
195.92491	4.5
197.09656	5.7
197.13223	16.1
200.08276	4.0
201.12732	5.7
205.12202	5.8
207.11664	5.3
211.11119	6.7
213.12747	17.3
215.10567	7.1
217.15903	6.8
225.12791	7.7
229.12207	5.6
253.15700	4.6
267.17328	16.6
277.15912	4.9
285.18408	18.5
289.15991	5.0
295.16824	20.9
313.17947	72.7
331.19092	21.8
355.18903	6.3
373.20111	30.2
391.21048	35.9
415.21085	4.9
433.22153	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	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10662	4.4
52.07840	3.9
55.05492	5.3
67.05493	9.0
69.07053	11.8
72.50677	6.2
79.05483	12.0
81.07058	12.7
82.16422	4.5
83.08623	8.2
88.49703	4.4
91.05456	12.2
93.07025	35.5
93.07539	5.5
95.04968	6.6
95.08614	24.3
105.07033	42.8
107.08582	33.2
109.06506	21.1
109.10195	5.6
116.48069	5.1
117.07032	11.5
119.08589	36.0
121.06480	21.9
121.10176	8.9
123.08042	24.3
129.07047	6.6
131.08577	24.8
133.06494	22.0
133.10143	12.4
135.08023	36.3
137.09555	8.8
143.08536	10.6
145.06505	10.7
145.10143	25.8
147.08063	11.9
147.11748	5.9
149.09645	22.5
151.07565	8.5
151.11185	8.4
155.08543	27.2
156.36507	5.5
157.10078	29.9
159.08023	8.9
159.11731	7.0
161.09604	22.2
163.11203	21.3
169.10135	46.9
171.07970	6.2
171.11697	22.2
173.09634	33.1
177.09055	20.3
179.08592	8.8
179.10709	6.6
181.10078	29.0
183.11723	43.2
185.09541	9.4
185.13316	7.1
187.11160	24.0
188.08205	5.8
189.09116	7.2
189.12770	8.5
192.09393	7.2
193.10158	21.7
194.10957	7.0
195.11720	27.7
197.09586	27.2
197.13258	32.8
199.11180	22.5
201.09120	9.6
201.12756	6.9
206.11021	6.0
207.10036	6.6
207.11752	28.2
209.09694	7.4
209.13257	25.1
210.10344	6.6
211.11154	55.0
211.14787	10.9
213.08832	5.6
215.10742	10.1
219.11710	10.5
220.12515	10.0
223.11180	21.6
225.09166	6.3
225.12746	65.5
225.16396	10.2
227.10699	24.5
229.12181	18.9
235.14795	11.2
237.12686	25.8
239.10643	11.1
239.14151	5.4
243.13730	8.4
253.12173	30.2
253.15865	29.8
255.13757	8.4
267.17349	45.3
269.15378	5.7
271.06125	11.4
271.13394	7.8
271.16824	9.3
277.15970	10.0
285.18475	29.9
287.16336	6.7
289.06985	5.3
295.16861	75.6
303.05585	5.3
313.17886	82.8
331.19003	47.7
337.28714	5.6
355.19037	9.3
373.19946	41.7
433.21805	100.0
433.32587	11.6
459.79138	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	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
55.30773	3.7
60.40968	4.0
67.05495	16.3
69.03416	7.8
69.05970	3.4
69.07118	3.7
70.47038	3.6
75.82509	4.8
79.05474	8.4
81.07063	17.6
83.04987	6.2
89.55733	4.1
91.05491	10.2
93.07028	19.6
95.04945	17.5
95.08601	26.4
97.02894	6.3
97.06498	7.3
105.07024	27.5
107.04911	6.3
107.08585	29.3
109.06512	10.0
109.10171	6.9
111.04443	18.9
117.06950	5.8
119.08588	16.7
121.06524	6.5
121.10145	27.0
123.08081	20.5
131.08533	9.8
133.06482	5.8
133.10120	23.0
135.08051	26.3
135.11720	5.9
137.05956	5.0
137.09613	9.3
143.08582	17.5
145.06471	5.8
145.10124	19.2
147.08032	21.8
149.06001	10.7
149.09619	21.0
151.07538	5.0
151.11218	8.2
157.10100	21.3
159.11713	23.1
161.09576	18.0
163.07524	6.9
163.11209	3.7
169.10179	10.6
171.08113	7.6
171.11702	19.8
173.09691	4.6
173.13266	10.0
175.07593	5.5
175.11185	7.3
183.11696	10.1
185.09723	7.4
185.13269	8.0
187.11157	6.4
187.14803	4.7
189.12691	8.0
191.10677	33.4
197.09621	7.6
197.13205	9.8
201.12711	8.4
207.11571	5.2
208.12299	4.8
211.11293	8.8
217.12206	9.1
225.12688	6.2
237.12878	5.4
257.15536	5.2
267.17508	18.1
277.15887	4.7
285.18457	95.4
295.16922	25.0
313.17972	100.0
331.19052	25.5
355.18991	9.9
373.20084	28.8
391.21124	7.5
420.99930	5.0
431.42545	4.6
433.22235	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.3
57.76195	3.3
60.71323	3.4
62.40944	3.4
67.05501	16.4
69.03412	5.3
69.07060	6.9
69.83849	3.2
71.04956	3.7
79.05499	14.2
80.36890	3.6
80.72894	3.0
81.07040	3.7
83.08605	4.4
83.72865	3.0
85.06516	6.5
91.05470	16.9
93.07039	16.3
95.04926	16.0
95.08598	19.7
97.06449	3.6
99.51951	3.4
105.07055	33.5
107.04992	4.6
107.08603	31.5
107.94727	3.6
109.06505	5.6
109.10152	6.9
116.07187	3.8
117.07000	8.5
119.08601	30.2
121.06458	5.9
121.10135	23.6
123.08069	4.2
128.06168	4.8
129.07022	13.8
131.08562	33.3
133.06477	7.8
133.10097	16.3
135.08029	14.6
137.09602	4.4
141.07083	5.0
142.07765	15.0
143.08578	52.4
145.06485	7.2
145.10121	31.5
147.08041	21.2
147.11694	4.2
149.09616	3.6
153.06868	3.9
155.08546	47.3
156.09364	20.3
157.10120	33.7
159.08034	21.8
159.11703	18.5
161.09610	6.9
165.06909	6.0
166.07729	5.6
167.08578	16.5
168.09355	15.9
169.10083	35.2
171.08023	18.1
171.11667	36.4
173.09602	17.1
173.13240	4.8
175.07480	4.2
178.07784	5.1
179.08566	26.5
180.09286	7.0
181.10101	40.1
182.10852	5.0
183.11690	51.8
185.09592	15.9
185.13202	4.8
187.11168	5.7
192.09322	24.9
193.10170	37.7
194.11008	15.4
195.08034	4.7
195.11726	34.6
196.08878	4.1
196.12488	6.6
197.09624	16.0
197.13242	26.1
199.11201	17.0
199.14816	5.1
201.12740	17.2
205.10110	7.5
206.10957	4.0
207.11707	40.7
208.12482	12.2
209.09610	6.5
209.13255	23.1
210.14027	5.1
211.11145	24.0
211.14626	5.1
212.33844	4.5
213.12854	3.7
213.16370	3.6
219.11716	22.5
220.12482	4.5
221.13203	6.8
223.11191	16.1
223.14830	13.8
225.12740	19.3
225.16454	4.5
227.14371	5.4
229.10127	5.6
234.14166	7.7
235.11200	6.6
235.14862	8.1
237.12793	16.8
239.14241	5.0
239.18089	8.0
241.15804	6.2
247.14729	7.9
248.11998	3.7
249.16394	25.6
251.14244	5.7
252.14946	4.1
253.15837	13.9
262.13293	5.2
265.15900	5.3
267.17450	26.6
269.15308	4.9
277.15848	16.6
283.16934	6.7
285.18582	6.7
295.16858	29.0
313.18002	31.0
373.20142	4.2
398.93115	3.5
433.22153	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	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.6
63.17314	3.5
64.31855	3.5
65.64165	3.9
66.52212	3.2
69.07059	9.0
79.05488	5.3
81.07049	8.6
83.08635	5.5
83.62436	3.6
86.50774	3.7
91.05480	6.5
93.07024	7.9
95.08598	5.6
97.06538	40.9
105.03380	7.3
105.07030	24.7
107.08569	8.3
111.08089	4.9
116.03666	4.2
117.06966	4.2
119.08566	16.7
123.08086	8.0
129.06950	5.0
131.08557	9.5
133.06531	5.4
133.10097	5.7
143.08545	18.3
145.10135	30.7
147.08057	15.4
154.07733	5.0
155.08537	30.0
157.10089	28.5
159.08063	5.9
161.09586	7.9
167.08560	15.2
169.10132	30.0
171.07982	7.3
173.09682	16.8
175.11165	7.3
179.08560	18.2
181.10059	27.8
183.11687	24.1
185.09637	16.6
187.11185	33.9
193.10085	35.2
194.10898	7.1
195.11655	15.6
197.09612	100.0
197.13303	8.5
199.11203	20.3
201.09204	5.7
203.10675	9.2
205.10130	8.1
207.11658	27.1
209.13275	35.6
211.11183	25.9
211.14815	6.5
215.10690	23.4
217.12204	5.3
219.11749	15.2
220.12497	24.9
223.11099	5.1
223.14816	9.8
225.12708	16.3
225.16412	7.0
227.14252	6.2
233.13142	4.4
234.14030	17.9
235.14720	29.3
237.12726	14.1
239.10809	6.8
247.11235	5.4
249.16437	16.7
251.14307	22.4
252.14990	5.0
253.15916	38.7
262.13605	7.8
267.17502	22.3
269.15439	6.9
271.16934	26.7
275.12833	5.0
277.15851	18.5
285.18533	7.4
295.16934	61.2
313.17972	54.5
327.44571	4.4
355.19098	5.8
373.20047	7.7
389.19608	6.7
433.22424	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85777	5.2
55.05521	6.5
61.29342	4.3
67.05505	9.2
69.07049	9.5
79.05480	10.6
81.07051	25.3
89.22668	5.5
91.05463	10.0
93.07029	22.4
93.56492	4.7
95.04980	8.7
95.08603	6.6
97.06520	18.2
105.06382	7.2
105.06998	41.4
107.08575	25.8
109.06495	11.6
115.05319	4.7
117.07021	12.1
119.08538	41.3
121.06518	17.9
121.10133	23.1
123.08044	24.6
131.08549	27.6
133.06473	9.0
133.10141	12.4
135.08034	28.9
137.09624	11.8
142.07755	6.0
143.08543	22.6
145.06493	5.8
145.10121	30.7
147.08029	26.6
147.11658	7.0
149.05984	8.9
149.09612	10.7
151.07545	6.0
153.07005	5.1
154.07831	5.2
155.08539	40.6
157.10118	37.2
159.08026	31.3
159.11673	6.7
161.09586	20.6
165.06914	7.7
167.08565	24.8
169.10103	45.7
171.08092	19.2
171.11707	12.4
173.09563	32.8
175.11156	29.5
177.09076	8.1
179.08513	11.1
180.09384	6.0
181.10115	31.6
182.10886	8.0
183.08023	9.9
183.11635	49.0
185.09598	10.8
185.13287	8.2
187.11186	28.1
189.09081	6.9
191.10605	6.2
192.09456	8.3
193.10167	31.9
194.10893	12.2
195.11627	34.8
196.12457	6.3
197.09610	53.8
197.13226	25.6
199.11179	29.8
200.95796	5.0
201.09071	5.1
203.10759	6.9
207.11717	34.6
208.12514	7.9
209.09702	5.9
209.13272	39.1
211.11180	32.4
211.14819	19.8
213.12698	7.7
215.10699	11.9
215.14413	7.1
217.12263	8.9
219.11670	24.5
220.12421	23.4
221.13281	9.1
223.14809	11.6
225.12758	32.8
225.16330	18.7
229.12204	5.9
233.13206	7.1
234.13989	18.4
235.11127	5.7
235.14812	37.6
236.11861	6.5
237.12700	28.9
241.16127	6.1
243.13831	7.2
244.12601	5.8
249.16316	26.4
251.14323	22.4
253.12415	6.5
253.15869	46.4
255.13774	24.9
267.17303	45.5
269.15045	5.5
271.16971	34.7
277.15927	43.9
285.18567	9.2
295.16937	82.7
313.17966	100.0
331.19165	19.6
355.18942	8.1
373.20038	32.9
410.87411	5.7
433.22089	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.2
71.52664	6.6
71.78032	6.5
75.92239	6.5
77.13995	6.6
79.05523	11.0
79.68562	7.6
81.07074	7.7
81.25822	7.3
89.70523	6.2
91.05478	7.3
93.07017	9.5
95.04946	8.2
95.08591	11.9
97.06516	32.8
105.03363	7.5
105.07030	31.7
106.32686	7.5
107.08541	26.6
109.06519	9.7
109.10172	12.0
115.49245	7.8
119.08608	16.2
120.12348	6.9
121.06511	7.0
121.10155	12.6
133.10106	11.6
135.08051	14.3
136.30132	6.9
141.06952	7.9
143.08542	27.1
145.10146	28.0
147.08025	13.1
149.09676	9.0
151.07567	7.0
155.08522	31.5
157.10104	30.5
159.08109	11.1
161.09654	16.0
167.08557	7.7
169.10120	32.2
171.11658	13.0
173.09602	15.7
175.11140	9.6
179.08562	24.9
181.10133	35.9
183.08049	8.8
183.11720	30.3
185.09641	23.5
187.11247	13.7
192.09338	8.0
193.10118	42.4
194.10872	11.1
195.11708	31.9
197.09631	55.9
197.13289	14.3
199.11176	15.9
199.14996	7.9
204.09282	7.1
207.11684	26.5
209.13290	51.0
211.11226	33.6
211.14825	15.3
213.09116	8.1
215.10678	11.0
219.11771	14.1
220.12479	29.7
221.13348	7.2
223.11214	6.4
225.12801	33.9
225.16359	12.0
234.13998	8.9
235.14851	17.0
237.12695	34.9
249.16301	7.5
251.14317	14.3
253.15900	39.9
255.13646	11.4
267.17355	29.1
269.15381	9.4
271.16910	17.4
277.15933	24.7
285.18558	26.6
295.16837	97.0
313.17865	100.0
331.18939	14.8
373.20026	38.2
433.22061	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46404	7.3
65.04228	7.2
67.47414	7.9
69.07072	10.6
81.07039	10.4
91.05481	9.5
93.07053	19.1
95.04931	10.5
95.08559	9.3
97.06518	29.7
105.03400	14.5
105.07010	14.6
107.08566	12.6
117.06998	8.2
119.08562	13.3
123.08117	13.8
135.08110	12.2
137.32889	8.3
140.49219	9.8
143.08554	19.7
147.08026	13.4
155.08571	20.1
157.10106	12.4
159.11671	11.9
161.09691	18.5
169.10080	42.2
171.08061	14.0
171.11601	8.8
173.09619	19.5
179.08537	10.9
181.10066	13.0
183.11716	45.3
185.09511	12.3
187.11189	29.2
193.10152	32.4
197.09634	88.6
197.13286	12.3
199.11157	36.5
207.11729	18.4
209.13257	16.7
211.11200	50.6
215.10614	18.3
221.13365	8.5
223.11086	13.4
225.12718	18.5
234.14001	9.2
235.14799	14.5
251.14317	19.1
253.15819	40.2
267.17542	44.7
271.16904	41.6
277.15842	33.3
285.18500	12.7
295.16885	89.3
313.17868	83.9
326.87381	9.0
331.19052	16.7
373.20071	13.8
433.22198	100.0
433.33118	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	433.2221
Annotation	CHEBI:69819
Peak:m/z	Relative Intensity
50.09193	4.7
51.67661	5.8
52.06139	5.7
55.05510	15.1
58.39280	6.6
58.58607	5.2
58.65741	5.2
59.23370	5.5
61.27424	5.6
65.78983	6.2
67.05511	7.1
69.07084	8.0
79.05486	29.8
81.07065	16.0
83.04986	57.0
85.76774	7.3
91.05474	41.1
93.07026	27.5
95.04960	30.2
95.08604	15.5
97.06540	8.8
103.05435	7.5
105.03396	16.1
105.07007	35.6
107.04942	29.5
107.08579	26.6
109.06529	14.6
109.10168	14.0
111.04459	7.6
117.07054	12.4
119.08566	41.4
121.06467	33.8
121.10125	11.3
123.08022	13.2
129.06960	9.6
131.08594	9.7
133.06418	11.6
133.10126	30.9
135.04427	15.1
135.08017	15.2
135.11711	7.4
137.09583	9.4
139.07518	7.5
143.08556	11.4
145.06445	7.6
145.10124	14.3
147.08043	9.0
149.09616	25.8
151.11186	54.7
153.05441	11.1
153.12764	57.6
155.08536	9.1
157.10097	10.1
159.11667	28.0
161.09549	9.8
163.07506	10.5
163.11232	7.4
164.80310	6.5
169.59814	7.5
171.11687	14.7
175.11186	8.8
177.09184	8.3
177.12721	77.5
181.10056	10.4
183.11684	15.2
187.11215	15.9
193.10129	7.4
195.11685	9.0
197.13242	13.6
199.11220	13.1
205.12335	7.8
211.11209	13.5
213.12631	9.1
215.10698	7.5
217.12131	8.3
225.12691	12.4
234.79367	6.5
237.12703	8.3
247.11113	7.9
267.17474	14.8
295.16901	50.8
313.18082	80.6
331.19016	24.4
355.19000	28.3
373.20059	81.5
391.20935	14.6
398.62949	10.1
415.20972	11.2
433.12811	45.6
433.21698	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	433.222
Annotation	Neocaesalpin D
Peak:m/z	Relative Intensity
51.34413	3.0
51.89779	2.9
61.01102	4.1
67.05492	15.8
67.16220	3.3
69.03407	5.4
69.07066	5.4
74.73389	3.7
79.05479	21.5
81.07063	9.1
81.22640	3.7
83.04986	15.3
91.05465	7.4
93.07040	16.8
95.04972	16.0
95.08588	7.6
97.06524	23.4
105.07018	19.6
107.04962	7.7
107.08594	19.7
109.06538	18.2
109.10145	6.2
119.08573	18.7
121.06493	8.8
121.10136	22.6
123.04432	4.0
123.08064	9.0
123.11707	4.2
129.07042	4.2
131.08545	9.4
133.06519	5.0
133.10085	18.1
135.08040	21.5
137.09587	23.5
143.08580	20.9
145.10094	15.1
147.08038	8.9
149.09628	18.6
155.08510	5.2
156.09328	5.3
157.10089	24.4
159.08040	14.9
159.11693	18.9
161.09581	19.2
161.13266	5.8
163.11156	16.6
169.10135	7.2
171.08084	6.9
171.11656	23.9
173.09566	8.2
175.11160	8.8
177.12671	6.5
181.10094	8.4
183.11719	14.5
185.09610	15.0
185.13307	5.1
187.11227	7.7
189.12730	8.7
193.10124	4.6
193.50786	3.6
195.11673	6.8
197.09665	4.1
197.13315	9.1
199.11169	22.1
201.12714	8.6
203.10663	15.3
203.14259	4.1
205.12093	4.6
207.11659	6.3
211.11281	4.5
213.12665	5.2
217.12231	4.4
223.11093	4.3
225.12827	3.8
225.16362	4.9
227.10652	4.0
234.14041	4.5
247.11118	6.1
253.15834	6.4
267.17480	7.4
277.15781	5.3
285.18378	5.2
295.16998	30.0
313.17969	100.0
331.18964	17.8
355.19037	18.6
373.20023	32.9
391.20889	13.4
415.20779	6.2
433.22055	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23056	3.4
53.82402	3.1
55.05511	4.0
62.17673	3.5
63.25344	4.0
67.05499	7.8
69.07085	4.5
74.77296	4.2
79.05492	9.7
81.07088	5.9
91.05480	9.1
92.17879	5.3
93.07034	19.4
95.04984	8.5
95.08594	9.0
97.02849	6.0
97.06509	5.5
99.26684	3.7
99.86278	4.3
105.07021	23.4
107.04972	10.1
107.08558	31.5
107.72864	4.1
109.06542	16.2
109.10131	8.1
111.04423	8.4
117.07006	4.7
119.08564	22.7
119.70120	3.9
121.06470	6.7
121.10148	23.8
123.08043	8.2
127.69851	4.2
129.06978	4.4
131.08569	17.3
133.06471	4.5
133.10117	24.7
135.08032	15.6
137.09621	7.7
138.96367	3.8
139.54530	3.6
143.08563	24.8
145.10152	19.2
147.08044	7.2
147.11684	7.7
149.09615	20.9
151.11142	7.3
156.09349	4.0
157.10155	21.6
159.08092	6.6
159.11655	21.4
161.09605	17.2
161.37216	3.6
163.07545	5.2
163.11154	6.7
169.10088	17.7
171.11580	16.4
173.09676	9.7
175.11209	7.3
177.09068	5.3
177.12692	5.5
181.10043	16.6
183.11656	17.2
184.08772	4.6
185.09607	7.5
187.11172	9.6
189.09105	4.9
189.12730	8.3
191.10765	4.2
197.09627	5.0
197.13252	10.1
199.11143	9.7
203.10629	7.0
213.12723	4.9
215.14223	6.6
217.12180	5.2
225.12799	6.9
235.11101	4.6
235.14687	5.2
241.12112	5.4
267.17401	20.8
269.15448	4.6
277.15903	6.8
295.16818	32.8
313.17911	100.0
331.19003	16.1
355.19012	19.1
373.19876	34.0
391.20874	6.9
415.21039	5.8
433.22122	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21291	5.1
55.05501	10.0
61.44980	4.6
63.78846	5.5
63.83158	4.6
65.16121	4.8
65.27292	5.6
67.05491	6.5
68.94604	6.0
75.02993	5.1
77.33899	5.0
79.05483	26.8
81.07063	9.0
83.04980	37.3
91.05479	6.5
91.56424	5.1
93.07040	10.9
95.04973	11.8
95.08635	9.8
105.07052	21.8
107.04942	6.8
107.08578	25.5
109.10136	9.3
111.04433	31.4
119.08575	10.9
121.06465	11.6
121.10145	8.1
123.08064	9.0
124.75388	5.5
131.08513	11.9
133.10118	24.0
135.08092	23.7
137.09654	10.8
141.07005	7.2
143.08614	7.9
145.10152	7.0
149.09633	26.6
155.08546	8.2
157.10062	10.5
159.08023	7.8
159.11682	8.5
161.09547	13.1
169.10101	6.0
171.11652	8.5
175.11131	11.7
177.12752	10.8
181.10304	6.2
181.31053	5.5
183.11684	5.8
187.11121	13.6
195.11707	6.4
199.11206	5.9
205.12286	30.9
225.12727	7.4
285.18402	6.1
295.16873	27.4
313.17978	100.0
331.19080	56.2
355.19022	27.6
370.92709	6.2
373.20248	12.5
433.21948	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	433.2222
Annotation	Sinuolatin D
Peak:m/z	Relative Intensity
53.34566	3.1
54.76412	3.1
69.07060	5.9
74.85811	3.9
79.05491	6.0
81.07050	6.3
91.05489	9.2
93.07012	16.6
95.05003	5.9
95.08569	5.5
97.06532	5.7
105.03379	14.4
105.07029	15.5
107.08588	16.9
109.06538	4.2
109.10145	22.0
113.14613	3.8
119.08568	19.1
121.06496	8.5
121.10110	8.9
123.08022	7.5
129.07034	4.4
131.08554	19.3
133.06461	5.6
133.10123	5.1
133.55750	4.0
135.08049	18.6
137.09625	30.3
143.08575	6.3
145.06467	4.4
145.10126	15.9
147.08043	17.4
149.09610	24.9
155.08542	7.6
157.10114	14.6
159.08049	18.4
161.09624	15.4
163.11174	6.4
169.10127	8.3
171.07973	4.0
171.11618	6.7
173.09616	17.5
175.11211	6.5
177.09167	8.9
179.10725	4.4
181.10205	4.8
183.11734	5.2
185.09680	7.3
187.11258	6.6
193.10109	4.5
195.11763	8.1
197.09628	6.9
197.13266	9.2
199.11208	5.4
201.12816	3.8
207.11703	7.8
209.09662	4.2
211.11148	5.5
213.12737	4.3
215.10739	4.3
215.14351	3.9
223.14790	5.6
225.12791	7.6
227.14095	4.4
239.17842	5.0
241.12260	5.2
249.16412	3.7
253.15959	5.0
267.17435	20.3
285.18521	6.5
295.16971	30.3
313.17886	48.6
331.19003	24.3
355.19031	4.6
373.20126	35.3
391.21307	4.2
433.22208	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	433.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.6
59.43005	4.3
66.11126	4.2
69.07058	20.1
79.05475	5.4
83.08600	5.3
84.77455	4.1
92.17844	5.4
93.07053	17.4
95.04910	6.5
95.08627	8.5
97.06522	20.0
105.03367	4.9
105.06999	38.8
107.08588	24.1
109.10178	4.4
117.07038	11.3
119.08569	25.8
120.90350	4.7
121.06474	11.4
121.10126	17.8
123.08086	6.9
131.08614	7.1
131.15001	4.6
133.06516	21.3
133.10156	8.5
135.08064	33.4
137.05978	6.0
137.09607	7.3
145.06512	7.0
145.10112	11.3
147.08034	19.3
149.09642	20.6
151.07610	5.8
154.07773	4.9
155.08522	10.5
157.10127	20.6
159.08075	26.6
159.11613	4.8
161.09621	8.1
163.07512	6.5
163.11186	8.8
167.08517	5.3
169.10059	34.1
171.08012	4.1
171.11693	9.4
173.09650	22.2
175.07632	7.8
175.11285	5.7
177.09119	16.9
179.10596	7.4
181.10132	8.2
183.11673	41.9
185.09602	18.9
187.11150	21.7
189.09044	5.9
191.10677	4.4
193.10141	18.8
195.11632	5.5
197.09630	34.4
197.13300	7.9
199.11166	28.9
201.09323	5.3
201.12793	6.9
203.10913	4.2
204.65613	5.1
207.10039	5.4
207.11736	22.6
209.09622	7.9
209.13260	20.9
210.10408	10.9
211.11139	49.8
211.14864	8.2
213.12811	7.6
215.10643	10.7
220.12521	5.7
221.13127	4.4
223.14857	7.2
224.12070	8.1
225.12743	66.2
225.16417	29.5
227.10646	25.3
233.13171	5.8
235.14883	10.8
237.12862	5.4
238.13504	4.6
239.10695	18.9
239.18021	7.8
241.15903	5.0
243.13832	19.7
251.14166	8.8
253.12210	24.4
253.15855	19.8
255.13811	6.0
267.17435	41.0
269.15384	6.3
271.05981	99.7
271.13623	13.6
271.16879	28.2
277.15878	18.7
285.18521	26.9
295.16925	79.4
313.18008	100.0
331.19031	47.1
355.18954	7.8
373.20197	39.6
391.21066	5.1
433.11057	5.0
433.22388	87.1
456.22931	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	433.2221
Annotation	Epigrandisin
Peak:m/z	Relative Intensity
67.05504	4.3
69.07076	5.0
74.13558	3.3
77.28784	3.8
81.03394	5.0
81.07082	4.9
91.05467	8.7
93.07069	12.5
95.04981	5.0
95.08569	5.2
97.06493	6.8
105.07018	36.3
107.08577	17.6
109.06469	4.8
119.08595	31.4
121.06451	4.9
121.10106	8.7
123.08025	8.1
131.08548	16.5
133.06471	5.9
133.10139	16.6
135.08055	7.4
137.05948	5.1
143.08545	8.0
144.45804	3.5
145.06438	3.8
145.10103	9.7
147.08084	9.1
149.09630	7.2
155.08577	8.6
157.10150	9.3
159.08003	6.6
159.11633	4.2
161.09578	23.7
163.11183	7.3
169.10130	15.7
173.09587	9.4
181.10162	4.2
182.10924	4.1
183.08049	4.3
183.11641	15.7
185.09660	4.1
185.13290	4.7
187.11258	7.2
189.12729	4.8
193.10173	7.8
195.11641	5.0
197.09721	4.9
197.13260	18.5
199.11391	5.9
207.11728	7.1
211.11205	19.3
211.14606	5.5
215.10713	4.0
223.14798	4.8
225.12700	7.9
234.14128	8.5
253.15979	5.2
265.15948	15.0
267.17355	19.4
277.15936	4.9
281.04623	4.1
285.18317	6.8
295.16882	22.1
313.17935	33.0
331.90146	4.5
355.18921	5.0
373.20056	22.5
433.22119	100.0
433.27847	4.4
442.15875	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	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.3
69.07076	5.0
74.13558	3.3
77.28784	3.8
81.03394	5.0
81.07082	4.9
91.05467	8.7
93.07069	12.5
95.04981	5.0
95.08569	5.2
97.06493	6.8
105.07018	36.3
107.08577	17.6
109.06469	4.8
119.08595	31.4
121.06451	4.9
121.10106	8.7
123.08025	8.1
131.08548	16.5
133.06471	5.9
133.10139	16.6
135.08055	7.4
137.05948	5.1
143.08545	8.0
144.45804	3.5
145.06438	3.8
145.10103	9.7
147.08084	9.1
149.09630	7.2
155.08577	8.6
157.10150	9.3
159.08003	6.6
159.11633	4.2
161.09578	23.7
163.11183	7.3
169.10130	15.7
173.09587	9.4
181.10162	4.2
182.10924	4.1
183.08049	4.3
183.11641	15.7
185.09660	4.1
185.13290	4.7
187.11258	7.2
189.12729	4.8
193.10173	7.8
195.11641	5.0
197.09721	4.9
197.13260	18.5
199.11391	5.9
207.11728	7.1
211.11205	19.3
211.14606	5.5
215.10713	4.0
223.14798	4.8
225.12700	7.9
234.14128	8.5
253.15979	5.2
265.15948	15.0
267.17355	19.4
277.15936	4.9
281.04623	4.1
285.18317	6.8
295.16882	22.1
313.17935	33.0
331.90146	4.5
355.18921	5.0
373.20056	22.5
433.22119	100.0
433.27847	4.4
442.15875	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	433.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16613	1.9
54.73829	2.1
59.48942	2.1
63.78049	2.3
67.05471	2.0
68.00086	2.1
73.97410	2.7
75.38611	2.7
135.50917	2.2
138.84389	2.5
193.98042	2.5
206.30313	2.3
241.10388	2.5
433.25641	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	433.2559
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
67.05495	1.5
74.22823	1.4
75.93787	1.3
81.07037	1.6
89.80354	1.5
98.61996	1.3
105.03375	6.4
105.25612	1.6
135.04350	1.4
158.15327	1.5
172.96460	1.5
201.73659	1.7
269.06699	1.6
433.12723	2.6
433.25604	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	433.2564
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
60.09983	0.7
64.88542	0.7
65.86358	0.8
66.28699	0.7
69.07046	1.1
70.57427	0.7
70.85465	0.7
78.49541	0.7
79.05479	1.3
81.07043	1.9
83.04972	1.2
91.05438	0.9
95.04964	1.4
95.08591	1.5
105.03378	13.7
105.05623	0.7
107.08584	1.2
121.10092	1.0
122.38261	0.9
124.36997	0.7
125.09554	0.8
131.08487	0.7
133.06419	0.8
133.10089	0.9
143.08615	1.0
145.10124	1.2
147.11667	0.9
154.32706	0.7
157.10114	1.4
163.03851	4.7
169.10100	1.2
175.01541	0.8
187.11115	1.0
197.09705	0.8
199.11234	1.5
271.05783	0.9
283.16916	1.2
293.15253	1.3
311.16492	3.3
433.20044	8.8
433.25519	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	433.2564
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
55.45078	0.6
67.05500	0.8
69.80978	0.7
71.14226	0.7
81.07041	1.2
87.76309	0.8
92.18523	1.5
95.08619	1.2
123.04421	4.6
123.11674	0.8
147.04460	1.0
159.11801	0.8
165.09074	0.9
173.87665	0.7
184.22740	0.8
224.61732	0.8
280.72903	0.7
314.73032	0.9
433.25574	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	433.2563
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
67.05506	12.2
69.07053	2.6
79.05483	10.3
81.07071	25.1
92.21581	2.7
93.07028	11.6
95.08620	14.2
98.98459	14.2
105.03405	3.7
105.06956	2.9
107.08581	10.3
109.10149	10.9
119.08562	5.1
121.10146	6.0
131.08539	3.8
131.19231	3.0
133.10133	3.1
135.11775	4.1
135.22131	2.5
135.90474	2.9
149.13269	2.6
159.60355	3.2
163.95937	2.6
187.14871	3.3
197.38359	2.8
243.21136	4.0
261.22137	15.7
335.25778	28.8
386.20850	3.0
404.99872	2.7
415.24246	5.5
433.25677	100.0
455.64053	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	433.2569
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
51.42305	1.5
58.48069	1.3
62.83310	1.4
67.05531	2.5
85.38110	1.7
88.44353	1.6
89.64560	1.6
92.18561	3.7
93.07063	2.2
95.08621	2.0
105.03369	2.0
107.08603	1.9
119.08591	1.9
119.13779	1.4
133.10097	1.9
135.04427	6.9
135.08011	2.4
144.52548	1.5
145.02884	10.2
146.72499	1.5
148.70155	1.7
163.03897	100.0
211.11156	2.6
225.12781	2.4
295.16965	3.2
313.18060	8.4
331.19183	2.2
363.37906	1.8
373.20511	2.8
433.19974	3.5
433.25739	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Espinosanolide 2-methylbutyrate
Peak:m/z	Relative Intensity
62.82192	4.5
65.05394	4.4
67.05504	9.5
69.03433	8.1
79.05476	8.5
81.03418	51.3
81.07040	11.1
87.23763	4.4
91.05473	4.6
93.07028	54.8
95.04965	29.1
95.08578	27.8
105.07030	29.9
107.08595	44.1
109.06551	6.7
109.10151	8.6
119.04926	5.3
119.08569	30.8
119.54830	4.4
121.10149	17.2
126.14285	5.5
133.10156	52.2
135.08051	91.5
141.64748	5.1
143.08543	7.3
145.10103	19.3
149.09592	4.6
157.10120	8.8
157.65607	4.4
159.11719	8.4
161.09612	100.0
163.11160	19.1
171.11658	7.3
173.13263	7.4
178.55251	4.7
183.11778	8.0
201.12755	5.9
225.16080	4.4
265.19409	10.7
283.20526	62.5
343.22681	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31300	0.9
52.68340	0.8
55.05508	1.0
56.46789	1.0
67.05482	1.6
69.07030	1.4
79.05492	5.1
81.03416	1.7
81.07068	10.4
91.05467	3.8
93.07047	6.9
95.05004	1.5
95.08614	8.6
105.03423	2.4
105.06995	9.3
107.08596	21.5
109.10154	6.6
117.07038	2.2
119.04935	5.3
119.06030	1.0
119.08563	6.6
121.10124	2.3
123.11700	5.0
131.08562	4.2
133.06494	5.7
133.10138	8.2
135.08047	100.0
137.09656	1.5
143.08574	5.1
145.06467	7.9
145.10117	5.9
147.07988	1.4
147.11670	2.3
155.08604	1.5
157.10135	4.2
159.08025	2.0
159.11760	1.2
161.09564	8.2
163.11220	5.4
169.10066	5.3
171.07906	2.0
171.11726	1.3
173.09564	1.5
179.10646	7.8
181.10136	1.5
183.11719	2.7
187.11200	2.3
189.12637	1.3
195.11771	1.7
197.13225	2.6
199.11092	1.2
201.12697	1.4
207.11781	2.1
211.11150	2.5
213.12788	1.4
215.14336	1.7
223.11272	1.7
223.14900	1.7
225.12531	2.0
227.14363	1.5
253.12164	1.8
255.20973	1.1
265.19547	2.3
267.17383	1.9
283.20496	12.6
295.16928	1.7
313.17871	4.3
400.13528	1.1
415.24948	1.4
433.21683	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	433.2949
Annotation	Xylarenone C
Peak:m/z	Relative Intensity
51.12101	2.6
51.90321	2.8
55.05513	7.9
62.14486	3.6
67.05492	17.7
69.03390	3.9
69.07056	23.2
69.63909	3.2
78.39590	2.8
79.05484	4.1
81.07059	28.3
83.08611	4.0
85.06513	4.6
91.05441	3.3
93.07027	17.6
95.08600	64.7
97.10163	4.0
105.03379	37.0
105.07021	18.8
107.08582	54.9
109.06521	12.8
109.10147	91.4
111.08073	6.4
113.05989	26.9
115.07570	5.0
119.08572	31.1
119.11099	3.5
121.06496	6.3
121.10128	42.2
123.08042	14.1
123.11675	19.3
133.10124	33.5
135.08051	15.3
135.11667	24.2
137.09605	95.1
137.13252	6.9
139.11168	3.8
145.10139	6.8
147.08064	3.5
147.11693	37.8
149.09596	15.6
149.13251	14.4
151.14799	5.2
155.10661	35.9
157.10088	4.5
159.11684	6.9
161.09604	8.0
161.13220	17.5
163.11124	14.1
165.09109	7.1
165.12708	8.0
171.11639	5.6
173.13206	14.6
175.11095	12.8
175.14919	11.7
177.12755	6.9
177.16344	7.3
183.11647	3.2
185.13190	11.9
187.14824	6.8
189.12695	12.9
189.16298	11.0
193.12250	11.4
199.11249	5.0
199.14757	5.9
203.14207	4.9
205.15779	4.7
213.16307	4.4
237.14824	5.0
241.15816	6.0
277.17969	20.1
287.20224	3.9
305.21149	5.7
311.16306	5.5
326.72702	3.2
369.27756	15.8
387.28857	45.3
397.27307	20.0
415.28436	51.2
433.20490	3.7
433.29379	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	433.3312
Annotation	Isorhodeasapogenin
Peak:m/z	Relative Intensity
55.05523	29.6
57.07064	19.1
58.32308	3.4
59.99840	4.4
67.05491	17.9
69.03443	4.1
69.07072	91.1
71.08619	17.1
79.05491	4.7
81.07063	53.3
82.29979	3.6
83.08623	49.2
85.02882	4.3
85.10162	4.5
91.05462	4.5
92.18049	6.1
92.18555	4.0
93.07027	15.3
95.04968	8.5
95.08603	59.0
97.10157	29.2
99.04449	4.1
105.07021	16.2
107.08570	28.3
109.10139	30.4
111.11718	14.5
113.02354	35.5
119.08549	5.6
121.10111	16.5
123.04384	16.8
123.11725	18.1
133.10133	16.1
135.11609	6.0
137.13251	5.5
139.03886	14.4
145.10109	15.2
147.11658	4.6
149.13232	4.7
151.03813	7.3
157.10158	6.1
159.11639	4.9
161.09607	5.6
163.03944	5.3
171.11520	4.8
173.09663	7.0
175.11159	4.7
177.09117	4.5
191.10686	8.6
201.09084	5.5
209.11726	3.8
369.31445	4.0
397.30991	17.5
415.32001	71.8
433.33127	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	434.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
57.03430	7.6
65.72107	1.6
69.03432	18.2
73.02924	15.9
78.03458	12.3
81.03413	21.1
83.51112	1.2
85.02893	23.1
88.76178	1.4
96.04486	2.1
97.02887	23.3
99.04441	6.2
106.02909	89.9
107.04942	8.4
109.02865	14.9
115.03928	9.8
117.80910	1.5
121.06454	2.3
123.04420	1.4
124.03935	100.0
127.03899	15.4
133.04965	3.1
135.04413	14.5
137.05980	6.8
145.04951	6.2
145.87450	1.5
149.05984	6.8
150.54521	1.4
151.07518	1.7
163.06052	2.4
167.06989	6.1
177.56996	1.4
250.07088	31.1
268.08130	25.2
285.09534	2.2
301.96976	1.7
434.08859	2.3
434.14413	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34278	0.5
52.11540	0.4
53.03944	1.3
57.03439	1.1
57.65062	0.5
59.21874	0.4
67.05515	0.8
69.03435	6.7
71.04979	1.2
73.02889	0.7
75.04464	0.5
76.63297	0.6
78.03451	4.7
81.03424	11.7
83.04993	0.9
85.02916	6.1
97.02877	3.5
99.04449	2.5
104.89791	0.5
106.02917	43.2
109.02886	10.0
113.06002	0.7
124.03949	100.0
127.03927	4.8
131.07013	2.5
149.08089	0.8
166.04985	0.7
232.05940	0.6
250.07080	8.3
268.08139	52.1
374.60004	0.7
413.94104	0.5
434.16565	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57045	1.1
57.03179	1.8
57.03443	36.8
60.04524	1.5
61.02922	14.6
67.14793	1.2
69.03428	32.4
71.01344	2.7
71.04966	1.3
73.02917	100.0
79.05484	1.6
81.03404	4.6
82.76324	1.0
85.02903	80.2
87.04459	7.2
90.86535	1.1
91.03953	2.6
97.02261	2.6
97.02890	80.2
98.06072	1.4
99.04449	5.5
101.20130	1.1
105.03420	1.4
109.02862	7.4
115.03924	48.7
123.04391	12.4
124.45036	1.1
127.03915	20.0
133.04958	11.6
144.06525	9.1
145.04956	24.9
150.07635	1.3
155.63908	1.3
162.07590	5.1
163.05989	11.2
180.08691	7.1
219.06592	2.8
223.06010	4.9
236.79968	1.2
241.07068	7.2
241.61320	1.3
259.08090	8.9
285.09644	11.5
294.11798	4.7
295.10156	12.7
312.12848	2.7
323.77322	1.3
346.63498	1.2
400.74796	1.3
434.16519	4.5
438.43567	1.1
459.90665	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	434.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55561	0.8
54.92364	0.8
57.03434	2.1
57.75204	0.8
58.99585	5.4
60.78604	0.8
67.05492	6.1
71.08627	6.8
76.02228	50.4
77.81464	0.8
79.05526	1.5
81.03387	1.0
81.07051	2.1
83.06068	1.2
83.08613	1.2
84.04504	11.4
89.00599	4.7
95.08602	1.2
97.10149	2.2
99.02709	1.1
99.08092	12.7
106.02903	2.1
107.04955	2.1
107.08598	1.4
109.10146	9.3
114.34714	0.9
116.01647	8.7
124.03944	5.7
126.12776	4.3
127.11187	20.2
129.06583	6.7
130.04997	5.6
141.07355	1.1
142.03239	3.3
144.01143	8.3
159.08377	100.0
162.02184	20.8
167.08875	1.9
175.12067	0.8
179.04852	17.8
184.11537	5.9
187.05327	2.3
202.12619	10.7
233.05899	5.4
260.01282	1.0
272.06393	2.3
287.14218	57.9
288.12854	1.6
305.15295	20.3
341.15445	1.1
359.16272	13.1
375.57074	0.9
434.19427	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	11.9
59.04996	2.7
69.03430	54.3
73.02899	3.7
74.95904	2.1
81.03412	2.6
83.04974	2.6
85.02897	75.9
87.04462	65.7
91.59513	2.1
97.02882	62.9
105.07040	10.0
115.03924	100.0
127.03901	15.0
133.04953	64.3
136.98711	2.5
145.04950	19.4
150.07596	12.1
163.05974	12.0
188.61366	2.5
201.09085	3.1
214.79083	2.1
229.98918	2.0
259.08124	11.4
285.13281	10.9
295.10199	11.1
409.21542	2.7
434.20456	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37281	1.1
57.03432	9.0
61.02895	1.4
69.03423	3.4
75.04474	6.6
76.69563	1.3
81.03410	8.7
85.02917	14.1
97.02889	5.9
99.04442	1.5
103.05478	10.0
106.02918	15.4
107.04942	8.9
109.02853	5.3
114.02482	1.5
119.04953	8.8
120.04487	10.4
121.06492	5.9
123.04408	3.4
124.03949	27.6
124.82793	1.5
127.03935	5.3
131.04927	100.0
135.37683	1.4
137.05983	13.1
138.06770	9.5
145.04910	2.3
147.04454	2.1
148.05165	13.8
149.05977	2.1
151.07521	10.9
161.05989	3.1
163.07533	47.4
166.06227	26.3
175.07535	1.7
179.07024	3.2
181.08620	26.9
220.09647	1.4
237.11180	17.5
250.07092	7.5
255.12253	64.3
268.08035	9.7
313.88699	1.6
399.16541	5.5
401.40524	1.6
434.13666	1.6
434.18176	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	434.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01868	4.4
53.89667	4.1
57.03434	8.2
62.63634	5.1
67.05495	29.8
68.87295	4.8
69.03419	4.6
69.07053	26.8
71.04987	42.7
76.02232	34.7
79.05498	42.5
81.07061	79.6
83.04984	11.3
83.08625	5.3
84.04498	5.0
85.02892	30.1
85.06536	69.2
86.65284	5.0
87.04456	10.5
91.05480	27.2
93.07046	49.9
95.08582	28.5
96.81252	4.8
97.02869	9.5
97.06535	25.3
97.10142	5.4
99.04456	5.8
99.08089	84.8
105.07029	30.9
107.08578	29.2
109.10135	23.0
111.08080	20.4
117.06992	23.7
119.08581	20.2
121.06491	29.1
121.10145	23.0
123.08088	7.4
127.11178	10.5
129.05487	5.6
131.08583	48.3
131.77634	4.6
133.10139	5.8
135.08038	21.4
137.06023	6.2
137.09622	5.7
139.11031	4.5
141.07002	8.8
145.10114	10.4
147.08005	6.2
147.11739	5.3
153.09085	7.4
155.08464	6.3
157.10072	23.6
159.08310	73.2
159.11700	83.7
159.12895	7.5
162.02158	22.3
163.07597	5.9
173.09592	6.2
173.13229	33.6
179.04890	8.1
183.11676	29.7
201.12756	61.2
219.13737	61.5
233.05858	5.8
237.14859	100.0
239.29185	4.9
255.15791	53.5
272.06247	19.2
274.93787	5.2
287.14291	36.6
305.15500	8.3
359.16345	9.2
434.19470	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	434.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29330	0.4
62.03988	0.5
63.28272	0.5
67.05495	1.3
69.07063	2.5
81.07046	0.9
83.08570	0.6
83.28642	0.5
93.07011	0.8
95.08588	1.3
101.89152	0.5
105.07029	5.9
107.08595	2.7
109.06558	0.9
109.10159	2.3
111.08125	0.8
119.08582	2.6
121.06456	0.6
121.10130	3.8
121.70373	0.6
123.08064	3.1
125.09633	2.4
129.06992	3.0
131.08554	3.2
133.10135	2.2
134.57742	0.7
137.09668	0.6
143.08549	5.6
145.10101	3.9
147.07982	0.7
147.11710	0.9
155.08566	2.9
156.09276	0.5
157.10152	6.0
159.08127	0.6
159.11734	1.2
161.09619	1.0
163.11206	0.7
167.08481	0.7
169.10124	3.0
171.11691	2.4
181.10159	3.0
183.11708	0.8
185.13232	2.0
185.82155	0.7
187.11186	0.6
191.94896	0.6
193.10112	0.9
195.11673	5.3
197.13266	1.2
199.11205	0.8
207.11862	0.6
209.13199	6.4
211.14986	0.7
223.14809	0.9
225.16412	0.8
227.14085	0.6
235.14789	0.6
236.15280	0.6
241.19482	1.0
251.17909	5.7
269.18979	7.3
271.16910	100.0
279.17529	5.9
297.18500	17.1
301.85770	0.6
315.19482	1.0
323.37518	0.6
357.20584	13.6
434.25562	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00862	4.7
54.06629	4.1
54.55679	4.4
55.05512	9.6
59.35220	4.6
67.05512	10.5
69.03431	8.4
69.07066	10.5
79.05489	22.9
81.07063	71.6
83.04978	20.8
85.02878	23.3
91.05470	22.2
93.07043	76.2
95.04973	9.2
95.08610	66.1
97.02861	10.9
105.07042	76.8
107.08600	100.0
107.57790	5.2
109.06530	6.3
109.10152	54.8
109.61796	4.8
111.08018	5.9
117.06969	7.2
119.08561	50.0
121.10149	39.9
123.08059	6.5
123.11683	21.3
125.09649	5.6
131.08586	33.7
133.10104	54.0
135.11674	9.7
145.10109	90.7
147.08063	10.9
147.11649	7.8
149.13248	19.2
157.10132	7.2
159.11670	66.4
161.13254	29.0
162.60822	4.8
163.11154	8.5
167.42381	4.2
168.38751	5.0
173.13223	19.0
175.14867	20.1
186.32495	4.9
191.17992	8.2
201.16371	81.7
219.17445	42.2
226.57877	5.2
237.18556	22.1
434.19934	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.2
57.07080	2.7
61.02926	3.2
69.03423	6.4
69.07074	3.3
71.04972	3.0
71.08589	3.3
79.05518	2.7
81.07053	16.5
83.08583	3.8
85.02906	90.4
93.07046	11.0
95.08614	37.7
97.02879	15.1
99.04464	5.3
99.08059	4.6
100.30544	2.4
105.07044	38.3
107.08600	36.7
109.02872	5.2
109.10146	41.4
111.08073	15.2
119.08583	40.2
121.10132	31.5
123.08058	5.4
123.11697	4.0
125.09639	3.1
127.03913	22.7
130.08661	3.8
131.08568	16.8
133.10138	35.9
135.11711	21.9
145.04909	20.8
145.10120	37.2
147.11681	28.5
149.09650	4.7
159.11650	27.1
161.13269	14.7
163.03886	9.8
163.11200	3.9
163.14803	12.7
173.13213	6.7
175.14784	15.9
177.16377	4.5
189.16370	26.4
191.17981	16.1
201.16367	50.8
207.17482	12.6
219.17435	100.0
224.09148	2.6
237.18466	80.3
255.19559	6.1
284.06326	5.4
314.07465	13.5
324.09531	4.2
338.07385	3.8
368.08545	2.9
399.23798	36.4
416.10739	3.7
434.14270	14.0
434.27539	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	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.24934	0.2
59.59508	0.3
61.02921	0.6
63.61407	0.2
67.05499	0.4
69.03404	0.3
71.04993	0.3
73.02553	0.4
73.02924	8.9
76.19977	0.3
85.02896	1.3
95.08575	0.7
97.02854	0.4
102.58663	0.3
105.07007	1.1
106.07322	0.4
107.08561	0.3
112.43330	0.3
115.03897	0.5
115.95693	0.3
123.04364	0.3
127.03894	0.3
135.48732	0.3
137.02336	0.6
137.15752	0.3
151.07477	0.4
153.01819	0.6
161.05925	0.4
165.01758	0.5
189.09111	0.6
200.13078	0.3
207.10199	0.5
229.04955	0.5
257.04605	0.4
273.11282	0.5
303.04974	100.0
315.04770	0.4
335.18741	0.3
435.22336	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	435.1077
Annotation	Isoknipholone
Peak:m/z	Relative Intensity
53.39517	0.2
81.32513	0.3
89.26759	0.3
120.02586	0.3
133.06502	0.4
135.04414	32.0
136.42180	0.3
165.05438	2.9
189.05432	1.2
201.05208	0.3
241.04996	0.4
271.02350	0.4
297.07666	0.6
305.81107	0.3
358.08304	8.5
374.07825	4.3
375.08322	0.4
387.08707	0.6
389.10446	2.6
390.07330	7.1
393.09818	0.6
403.08096	7.3
417.09628	4.0
420.08334	1.9
435.10727	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	435.1285
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.73853	1.3
52.79099	1.3
56.05432	1.2
57.03445	2.2
59.34132	1.3
59.64376	1.3
61.02926	1.7
67.05503	2.2
69.62246	1.3
73.02898	7.9
73.82460	1.4
75.53112	1.7
77.91303	1.4
80.15160	1.3
85.02908	12.5
89.21406	1.4
92.17835	1.9
93.07018	2.2
95.08605	2.9
97.02879	1.5
99.04500	1.7
103.03931	1.9
106.25314	1.5
107.04978	3.1
113.55904	1.3
121.06509	3.1
121.10136	1.8
137.06059	1.9
139.11163	2.0
147.04393	19.5
153.01822	6.4
161.05949	11.2
161.09653	2.8
163.03969	1.5
165.01814	44.7
177.01846	12.6
183.02898	9.1
189.01836	3.3
189.09106	7.8
190.99734	1.6
191.03375	19.2
193.01303	1.7
195.02872	100.0
205.04900	3.4
207.10165	9.8
210.12032	1.7
215.03374	2.3
219.02855	53.5
231.02847	44.6
233.04353	2.2
243.02805	15.1
249.03900	11.8
255.15948	2.4
261.03864	28.7
279.04825	3.1
285.07544	31.6
285.10645	2.2
296.52008	1.8
297.07660	18.9
303.04965	97.2
315.08603	24.7
339.08597	29.0
351.08530	12.9
351.12286	1.6
363.08612	3.4
369.09772	6.7
381.09616	14.0
399.10727	21.5
405.18924	1.9
417.11697	9.9
435.22244	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	435.1287
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.93265	1.4
57.03431	1.9
61.02929	2.1
61.49135	1.4
63.66756	1.4
67.37576	1.4
72.10912	1.4
73.02907	3.1
84.33737	1.5
85.02893	11.7
85.32504	1.3
91.05444	2.0
96.08106	2.3
107.04990	1.9
109.02878	3.2
114.09162	6.9
121.02843	3.3
122.06022	2.2
123.04421	2.9
124.03940	5.8
147.04404	18.6
153.01817	14.3
163.03879	1.8
165.01807	56.2
171.02858	2.4
177.01811	12.2
183.02872	16.6
189.01819	3.3
191.03374	27.2
193.01299	2.3
195.02879	100.0
203.03343	2.3
205.04956	6.4
207.02797	1.8
215.03372	6.1
219.02893	48.6
226.19020	1.6
231.02890	40.9
233.04437	6.3
243.02921	11.7
249.03917	21.2
251.22202	1.6
255.06488	7.0
261.03937	22.8
273.07593	9.2
279.04926	6.9
285.07538	18.6
289.06003	1.7
297.05682	6.0
297.07925	3.9
303.04950	13.0
315.08652	21.3
339.08572	27.8
351.08612	10.5
363.08707	2.9
369.09384	5.3
381.09726	9.5
399.10565	12.1
417.11713	30.1
435.12753	3.9
435.21735	4.0
435.33365	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	435.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73853	1.3
52.79099	1.3
56.05432	1.2
57.03445	2.2
59.34132	1.3
59.64376	1.3
61.02926	1.7
67.05503	2.2
69.62246	1.3
73.02898	7.9
73.82460	1.4
75.53112	1.7
77.91303	1.4
80.15160	1.3
85.02908	12.5
89.21406	1.4
92.17835	1.9
93.07018	2.2
95.08605	2.9
97.02879	1.5
99.04500	1.7
103.03931	1.9
106.25314	1.5
107.04978	3.1
113.55904	1.3
121.06509	3.1
121.10136	1.8
137.06059	1.9
139.11163	2.0
147.04393	19.5
153.01822	6.4
161.05949	11.2
161.09653	2.8
163.03969	1.5
165.01814	44.7
177.01846	12.6
183.02898	9.1
189.01836	3.3
189.09106	7.8
190.99734	1.6
191.03375	19.2
193.01303	1.7
195.02872	100.0
205.04900	3.4
207.10165	9.8
210.12032	1.7
215.03374	2.3
219.02855	53.5
231.02847	44.6
233.04353	2.2
243.02805	15.1
249.03900	11.8
255.15948	2.4
261.03864	28.7
279.04825	3.1
285.07544	31.6
285.10645	2.2
296.52008	1.8
297.07660	18.9
303.04965	97.2
315.08603	24.7
339.08597	29.0
351.08530	12.9
351.12286	1.6
363.08612	3.4
369.09772	6.7
381.09616	14.0
399.10727	21.5
405.18924	1.9
417.11697	9.9
435.22244	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	435.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85794	0.6
62.83936	0.7
68.34605	0.8
69.03428	3.5
78.03461	0.7
81.03420	7.4
85.02876	1.5
87.62701	0.7
91.19977	0.6
95.04962	1.1
97.02858	2.8
99.04435	0.9
99.83580	0.7
99.85622	0.8
106.02195	0.8
106.02911	22.9
107.78777	0.7
109.02863	5.0
112.51454	0.8
122.06024	35.8
123.04426	4.5
124.03946	100.0
127.03976	1.7
150.05499	26.4
155.15038	0.7
189.18884	0.9
250.07141	3.5
268.08136	64.6
286.09238	18.8
435.13702	4.4
435.18948	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	435.1436
Annotation	Haplopappin
Peak:m/z	Relative Intensity
53.46370	0.5
61.33638	0.6
65.63380	0.6
77.83330	0.6
78.16140	0.5
78.48734	0.6
105.03375	2.8
120.10477	0.7
135.04416	18.6
140.98015	0.6
182.90549	0.7
213.13550	0.8
295.19626	0.7
358.08295	1.5
385.10669	94.6
386.11435	83.1
387.12415	5.1
390.07254	1.5
411.62592	0.7
417.13333	24.8
418.10580	5.6
435.14417	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	435.15
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.99419	0.3
57.03445	0.4
60.37852	0.3
66.75933	0.3
69.03437	0.7
71.05007	4.1
72.08147	0.7
80.17265	0.4
81.03410	0.8
83.94617	0.3
85.02904	7.4
97.02875	0.7
103.80224	0.3
106.02924	2.9
107.03254	1.7
109.02870	0.8
123.04418	1.9
123.19849	0.4
124.03945	8.6
125.04306	2.3
127.03912	100.0
129.05476	1.4
147.04408	0.4
163.03955	0.4
177.05466	1.5
205.04938	2.7
205.95532	0.4
217.04893	0.4
219.78595	0.4
222.07674	0.8
251.07509	0.5
268.08273	0.8
269.08481	3.5
289.09137	13.1
289.12369	0.5
303.08667	0.6
369.22116	0.4
374.12479	0.5
435.17093	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	435.1652
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
50.53400	0.7
53.80082	0.6
54.61214	0.6
61.02916	1.4
69.03411	5.3
81.03394	0.8
85.02882	9.4
96.15359	0.7
97.02870	1.9
107.04935	0.9
109.02853	1.7
123.04395	1.2
123.18385	0.9
127.03939	1.7
147.04381	6.3
163.03828	1.2
227.10632	4.3
229.08583	25.3
255.10112	9.3
273.11185	100.0
283.06033	1.0
283.50189	0.8
303.04938	3.8
360.33514	0.8
382.54294	0.7
391.13931	1.0
435.16400	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.65931	0.6
61.02925	0.9
61.32066	0.6
67.94710	0.6
69.03443	4.8
73.23196	0.7
76.37833	0.6
81.03406	1.1
85.02902	8.3
87.04505	0.7
89.29760	0.6
97.02909	2.7
107.04990	0.9
109.02856	1.4
113.69591	0.6
123.04446	1.2
127.03897	3.0
137.05978	0.8
147.04385	7.1
206.34872	0.7
213.08995	0.7
227.10637	3.5
229.08594	30.9
241.08600	1.0
255.10066	12.3
273.11182	100.0
283.05865	0.9
303.05038	1.6
374.11996	0.7
391.14096	0.8
403.22214	0.9
417.84790	0.7
435.11346	1.7
435.16486	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37669	1.4
53.03947	1.7
56.33239	1.5
81.07056	1.9
92.17892	3.6
93.07043	2.4
95.04939	6.4
105.03394	100.0
105.04514	3.6
105.07064	3.1
133.06554	3.4
141.06946	3.0
142.07736	2.1
143.08511	2.5
147.08035	11.7
153.06998	2.9
153.84485	1.8
155.08554	24.5
156.09421	2.2
165.07024	8.1
167.08507	4.0
168.09358	7.7
169.10115	14.3
171.08009	1.8
179.08536	4.4
180.09357	7.0
181.10098	8.0
182.10867	14.2
183.08060	8.7
183.11649	21.5
184.08896	2.6
185.09644	7.7
192.09354	16.1
193.10101	3.8
195.08043	2.3
195.11728	10.9
197.09599	3.2
197.13225	16.7
199.11151	2.0
205.10175	3.4
207.11679	17.4
209.09740	2.6
210.10403	2.1
211.11177	10.2
223.11258	12.9
224.04655	2.0
225.12791	15.7
235.11171	7.9
253.12167	44.3
271.13351	2.1
375.15964	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	435.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
56.89270	0.5
58.35625	0.6
58.69636	0.6
64.11153	0.6
67.05480	0.6
78.61814	0.5
79.46980	0.6
80.68980	0.6
95.04965	7.9
105.03391	100.0
105.04519	3.9
135.04486	0.9
143.08556	2.9
145.06468	1.1
155.08553	1.5
159.08066	2.6
165.06960	1.5
166.07730	0.9
167.08481	1.1
169.10092	0.9
171.08051	2.4
179.08559	0.8
180.09338	1.4
181.10094	3.0
183.11729	1.0
192.09383	0.8
193.10201	0.8
195.07941	0.7
195.11668	12.8
197.09695	0.6
197.13153	1.1
199.11226	5.9
207.11688	1.0
209.09668	1.2
211.11162	4.8
213.12843	0.7
223.11189	6.3
225.12726	6.9
227.10599	7.2
235.11128	2.3
239.55164	0.7
253.12227	9.2
271.03207	0.6
357.14783	1.1
375.16119	1.6
435.10980	5.4
435.16815	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	435.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49982	1.0
67.05479	1.3
73.28692	1.2
79.05502	2.0
83.18772	1.2
91.05470	1.3
92.18433	1.7
93.07040	1.4
95.04962	6.0
101.40726	1.1
101.54494	1.1
105.03394	100.0
105.04485	3.9
105.07018	4.8
106.03674	1.3
107.08630	1.5
127.73664	1.5
129.06964	1.4
131.08562	1.5
133.06487	1.4
137.05972	1.4
143.08531	1.6
147.08075	11.0
155.08536	8.3
165.07022	4.4
167.08554	5.4
168.09343	4.3
169.10107	4.8
175.07597	1.3
178.07903	1.6
179.08569	1.7
180.09378	2.6
181.10184	7.9
182.10838	2.6
183.08101	2.4
183.11656	10.7
185.09599	4.5
192.09317	5.5
193.10098	4.8
195.11647	9.4
197.09633	2.4
197.13225	12.8
199.11215	5.0
205.10211	1.6
207.11668	6.7
208.08900	2.1
209.09575	1.6
209.13341	1.6
210.10330	2.7
211.07555	1.7
211.11179	7.5
223.11201	7.6
225.12791	9.5
227.10670	4.6
235.11171	2.6
253.12221	27.1
271.13248	1.7
313.14270	2.0
321.16599	1.5
375.15961	2.5
435.18039	1.9
435.27118	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	435.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49982	1.0
67.05479	1.3
73.28692	1.2
79.05502	2.0
83.18772	1.2
91.05470	1.3
92.18433	1.7
93.07040	1.4
95.04962	6.0
101.40726	1.1
101.54494	1.1
105.03394	100.0
105.04485	3.9
105.07018	4.8
106.03674	1.3
107.08630	1.5
127.73664	1.5
129.06964	1.4
131.08562	1.5
133.06487	1.4
137.05972	1.4
143.08531	1.6
147.08075	11.0
155.08536	8.3
165.07022	4.4
167.08554	5.4
168.09343	4.3
169.10107	4.8
175.07597	1.3
178.07903	1.6
179.08569	1.7
180.09378	2.6
181.10184	7.9
182.10838	2.6
183.08101	2.4
183.11656	10.7
185.09599	4.5
192.09317	5.5
193.10098	4.8
195.11647	9.4
197.09633	2.4
197.13225	12.8
199.11215	5.0
205.10211	1.6
207.11668	6.7
208.08900	2.1
209.09575	1.6
209.13341	1.6
210.10330	2.7
211.07555	1.7
211.11179	7.5
223.11201	7.6
225.12791	9.5
227.10670	4.6
235.11171	2.6
253.12221	27.1
271.13248	1.7
313.14270	2.0
321.16599	1.5
375.15961	2.5
435.18039	1.9
435.27118	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	435.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00032	1.6
53.03961	2.1
61.92410	1.9
69.03419	2.5
74.05772	2.2
81.03445	6.5
81.07063	2.8
84.82399	1.9
85.77230	1.6
93.07032	2.5
95.04972	7.5
95.08630	4.4
105.03397	100.0
105.07030	14.9
107.04951	2.3
107.08601	2.0
113.09612	3.5
119.08572	1.7
121.06491	14.7
121.10149	2.3
129.06984	2.7
131.08551	3.4
133.06508	11.5
133.10117	4.1
135.08040	2.8
141.06979	3.1
142.07762	3.6
143.08569	2.5
145.06429	1.8
155.08559	21.3
156.09294	3.4
157.10114	16.9
165.07124	1.8
166.07777	7.2
167.08620	4.1
169.10143	13.3
173.09676	3.4
178.07719	4.0
179.08517	2.5
181.10107	23.1
182.10936	9.6
183.08070	10.0
183.11699	9.6
185.09650	3.2
191.08495	2.0
191.35512	1.8
192.09332	21.8
193.10104	23.9
195.08026	16.7
195.11697	3.9
196.08862	8.4
197.09602	3.0
197.13226	22.3
202.90932	1.8
207.11708	24.6
209.09590	14.9
210.10434	19.3
211.11177	15.2
220.08777	3.6
223.11130	3.3
225.12746	45.4
235.11125	14.8
238.09818	3.0
253.12221	61.5
271.13272	9.5
283.05762	2.0
313.14319	22.6
342.40784	2.1
375.16238	2.1
435.11588	3.0
435.18143	35.5
435.24045	3.5
435.30765	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	435.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21481	1.0
91.05473	3.8
92.18398	1.1
95.04968	1.2
105.07043	1.6
107.04959	3.6
119.04928	2.4
123.04414	7.0
129.07021	4.3
131.04877	1.4
131.08571	1.4
135.07983	1.2
137.05978	37.3
147.04382	2.1
148.05185	1.8
149.05965	2.2
151.07535	25.0
157.06540	7.6
161.05972	100.0
161.09581	25.8
163.07553	12.7
174.06691	2.2
175.07521	8.0
177.09096	4.8
189.09099	90.1
191.07149	3.5
195.02957	1.5
195.08121	1.8
195.42766	1.0
207.10162	74.5
209.11731	2.3
210.12079	4.4
211.26691	0.9
216.59921	1.0
219.10182	4.3
220.10587	1.2
221.06020	1.5
221.09656	1.1
225.08975	1.4
227.10591	7.3
237.11203	2.4
238.11462	2.3
253.08647	1.3
253.12286	5.4
255.10147	6.0
272.10614	1.5
281.11609	1.2
283.06097	2.4
285.11227	2.3
287.12769	7.5
299.12985	1.2
313.14310	10.1
330.10733	1.0
330.14291	3.2
331.15286	13.7
387.18491	1.4
405.19019	12.1
435.10233	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	435.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24564	0.5
53.03954	1.5
55.05507	0.5
55.29493	0.5
55.88554	0.6
60.77713	0.5
68.54947	0.6
68.95977	0.5
69.03403	0.7
70.19285	0.5
77.03922	2.3
79.05471	2.4
79.66674	0.6
81.03401	0.7
81.07036	0.7
90.67881	0.6
91.05475	1.2
92.72795	0.6
93.07032	1.0
95.04971	7.6
95.08625	0.6
97.06567	0.8
102.09549	0.5
105.03394	100.0
105.04523	3.2
105.07014	2.7
107.08584	2.8
109.06475	0.7
116.76793	0.6
117.07002	1.2
119.08544	2.6
121.06515	1.1
121.10113	0.9
123.04456	0.6
123.08009	0.7
131.08575	0.9
133.06483	3.2
133.10133	0.9
133.20827	0.6
135.08055	1.4
137.09563	0.8
143.08534	1.1
145.06438	2.2
145.10127	1.1
147.08032	2.5
147.73793	0.7
149.09625	1.4
155.08481	0.9
157.10103	1.2
159.08018	0.9
161.09619	1.1
163.07579	1.0
166.69098	0.6
169.10141	4.0
171.07964	0.8
171.11702	0.7
173.09625	1.4
175.07457	0.7
175.11186	0.7
177.09119	1.2
179.08507	0.8
181.10135	0.8
183.11682	3.6
185.09615	1.5
187.11217	1.0
192.09329	1.1
195.11784	1.0
197.09531	1.1
197.13272	1.2
199.11180	2.6
201.77052	0.6
206.10880	0.9
207.11673	1.2
209.09602	0.7
209.13176	0.7
210.10481	1.0
211.11171	3.6
211.14909	0.7
213.12701	0.7
223.11125	0.9
225.12715	3.1
226.09909	3.5
227.10730	2.4
227.14172	0.9
237.12764	1.0
239.14215	2.1
243.13795	1.0
253.12245	0.9
253.15842	1.2
255.13762	1.2
257.18884	0.8
267.17383	3.3
271.13330	3.0
277.15762	1.0
285.18420	3.7
295.16800	5.2
300.07526	0.7
313.17957	12.4
317.17279	4.3
398.40073	0.7
417.20447	0.9
435.16074	1.1
435.21616	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	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34770	5.3
54.46098	4.9
55.05508	5.8
57.03447	6.4
63.28562	5.3
67.05502	8.7
69.03436	6.8
69.07072	11.6
70.75501	5.7
70.94918	5.7
79.05489	28.9
81.03405	10.1
81.06651	6.0
81.07050	54.1
83.04996	6.4
83.08622	8.8
86.34988	5.2
91.05477	30.3
93.07034	53.8
95.04958	35.6
95.08607	48.7
95.33797	6.8
105.03382	23.7
105.07030	84.0
107.04929	11.6
107.08598	79.6
109.06528	9.8
109.10139	31.0
117.07034	10.9
119.08575	82.5
121.06477	31.2
121.10123	65.4
123.08055	52.7
123.11699	53.3
129.06967	14.0
131.08569	40.5
133.06474	42.2
133.10106	55.8
135.08067	36.4
135.11697	32.0
137.09572	9.3
143.08578	27.6
145.06488	7.5
145.10141	51.2
147.08005	46.2
147.11673	51.2
149.09599	13.8
149.13257	6.9
151.07529	62.1
155.08487	8.7
157.10136	33.3
159.08151	12.7
159.11656	24.8
161.09637	13.2
161.13245	7.6
163.07532	10.9
163.11130	22.7
165.09048	8.9
165.12744	8.7
169.10167	14.2
171.11789	14.0
173.09599	13.1
173.13216	12.5
175.07643	21.1
175.11154	9.1
177.09079	14.3
181.10132	26.4
183.11647	13.0
185.09599	12.1
185.13260	25.5
187.11247	8.4
193.10124	10.1
194.10918	10.4
195.11658	24.6
197.13330	14.6
199.11246	9.7
199.14793	10.1
207.11729	23.9
209.13200	43.3
211.09544	7.4
211.11278	9.0
211.14862	10.2
213.12726	10.9
221.13261	8.7
222.14093	6.3
225.12776	23.4
229.15910	9.7
235.14961	8.2
237.16373	9.2
239.14262	8.6
251.18008	27.9
255.13748	11.4
267.17142	6.2
269.19019	25.9
279.17474	35.5
297.18481	98.6
315.19479	100.0
339.19705	7.1
357.20627	39.2
375.21637	77.9
387.57883	6.5
389.06451	8.0
417.22922	10.9
435.11099	11.2
435.23648	69.4
435.28882	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42327	4.9
58.27784	6.5
60.61097	6.0
67.05494	10.4
69.03406	6.4
79.05473	11.3
81.07053	9.8
91.05465	7.9
93.07021	25.7
95.04948	24.3
95.08609	26.7
105.03394	14.1
105.07020	37.2
107.08563	28.6
109.06513	25.5
109.10168	10.4
118.63042	5.8
119.08566	25.2
121.06557	7.8
121.10131	28.5
123.08077	10.3
129.06944	8.1
131.08530	14.1
132.43744	5.5
133.06494	8.1
133.10100	36.6
133.74933	5.6
135.04416	35.0
135.08046	7.5
137.09618	30.5
143.08603	26.8
144.10498	6.0
145.06569	6.6
145.10101	34.7
147.11679	12.1
151.07521	10.2
155.08560	25.1
157.10092	24.3
159.08047	9.6
159.11702	14.9
161.09544	13.7
163.11176	10.6
169.08627	6.1
169.10109	31.4
170.10844	7.1
171.11667	30.2
173.09593	13.4
173.13264	22.9
175.11180	25.2
181.10141	13.0
182.10788	6.4
183.11638	31.0
185.09592	10.6
185.13133	9.0
187.11153	7.9
187.14816	7.0
189.12727	7.1
193.10202	10.7
195.11638	32.6
197.13275	26.7
199.11150	6.8
201.12746	9.4
207.11700	10.8
208.12576	6.2
209.13269	30.6
211.11336	9.9
211.14841	12.8
225.12819	13.3
227.14247	8.8
237.16254	9.3
239.14297	8.7
241.15683	5.8
246.14075	6.2
251.17929	7.5
253.12437	8.2
255.17358	10.5
267.17288	13.5
268.72827	7.8
269.18933	13.0
279.17300	8.5
285.18521	10.0
297.18475	61.3
315.19467	46.8
333.20483	8.4
357.20935	8.0
375.21634	34.4
435.10791	100.0
435.23727	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	435.2379
Annotation	3-acetyleriocasin C
Peak:m/z	Relative Intensity
56.87468	5.0
56.93975	5.2
58.14378	4.6
67.05502	10.0
69.03409	5.1
69.07063	10.3
75.97253	4.5
76.41568	5.4
77.57670	4.8
79.05492	21.5
81.01856	4.6
81.03434	6.2
81.07049	23.3
91.05483	11.0
93.07022	40.3
95.04964	9.1
95.08580	24.5
105.03391	8.5
105.07041	63.2
107.04936	11.2
107.08604	42.5
109.06516	8.9
109.10138	11.8
111.08035	6.4
114.83082	5.2
117.07002	7.9
119.08567	42.6
121.06520	11.1
121.10143	63.6
123.08064	10.4
123.11701	33.7
131.08594	22.8
133.06496	20.5
133.10132	43.0
135.08061	19.2
135.11691	8.0
137.09637	21.6
143.08543	12.3
145.06456	8.4
145.10109	21.8
147.08054	24.4
149.09634	39.9
151.07559	7.4
151.11256	7.8
155.08578	10.0
157.10130	25.2
159.08115	9.5
159.11642	11.2
161.09616	21.1
163.07484	5.7
163.11218	8.1
165.09123	10.0
169.10081	31.9
171.11685	25.4
173.09610	11.3
175.11224	10.7
177.09154	9.5
179.10539	5.4
181.10211	11.4
183.11752	23.4
185.09605	8.9
185.13237	8.8
187.11243	8.7
193.10205	8.4
194.10883	5.4
195.11713	12.5
197.09692	8.8
199.11183	18.3
201.12686	8.1
207.11734	6.9
209.13304	26.5
211.11238	6.4
211.14754	6.3
213.12842	8.6
215.14363	8.2
219.09973	5.3
221.13252	8.5
224.11935	8.5
225.12766	11.1
227.14244	10.1
229.15883	6.0
237.12828	7.1
237.16559	6.5
239.14435	7.3
239.17932	7.0
251.18024	7.0
255.13919	6.3
267.17441	11.7
269.18997	30.7
279.17416	26.0
287.19785	7.4
297.18393	57.6
315.19534	89.0
333.20343	8.3
357.20602	22.5
375.21701	54.4
385.14276	6.4
390.60950	5.5
393.09900	5.0
417.22638	12.1
435.10956	6.8
435.23840	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	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87468	5.0
56.93975	5.2
58.14378	4.6
67.05502	10.0
69.03409	5.1
69.07063	10.3
75.97253	4.5
76.41568	5.4
77.57670	4.8
79.05492	21.5
81.01856	4.6
81.03434	6.2
81.07049	23.3
91.05483	11.0
93.07022	40.3
95.04964	9.1
95.08580	24.5
105.03391	8.5
105.07041	63.2
107.04936	11.2
107.08604	42.5
109.06516	8.9
109.10138	11.8
111.08035	6.4
114.83082	5.2
117.07002	7.9
119.08567	42.6
121.06520	11.1
121.10143	63.6
123.08064	10.4
123.11701	33.7
131.08594	22.8
133.06496	20.5
133.10132	43.0
135.08061	19.2
135.11691	8.0
137.09637	21.6
143.08543	12.3
145.06456	8.4
145.10109	21.8
147.08054	24.4
149.09634	39.9
151.07559	7.4
151.11256	7.8
155.08578	10.0
157.10130	25.2
159.08115	9.5
159.11642	11.2
161.09616	21.1
163.07484	5.7
163.11218	8.1
165.09123	10.0
169.10081	31.9
171.11685	25.4
173.09610	11.3
175.11224	10.7
177.09154	9.5
179.10539	5.4
181.10211	11.4
183.11752	23.4
185.09605	8.9
185.13237	8.8
187.11243	8.7
193.10205	8.4
194.10883	5.4
195.11713	12.5
197.09692	8.8
199.11183	18.3
201.12686	8.1
207.11734	6.9
209.13304	26.5
211.11238	6.4
211.14754	6.3
213.12842	8.6
215.14363	8.2
219.09973	5.3
221.13252	8.5
224.11935	8.5
225.12766	11.1
227.14244	10.1
229.15883	6.0
237.12828	7.1
237.16559	6.5
239.14435	7.3
239.17932	7.0
251.18024	7.0
255.13919	6.3
267.17441	11.7
269.18997	30.7
279.17416	26.0
287.19785	7.4
297.18393	57.6
315.19534	89.0
333.20343	8.3
357.20602	22.5
375.21701	54.4
385.14276	6.4
390.60950	5.5
393.09900	5.0
417.22638	12.1
435.10956	6.8
435.23840	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	435.2377
Annotation	3-acetyleriocasin C
Peak:m/z	Relative Intensity
51.38957	7.1
59.18803	7.4
67.05486	15.1
69.03436	9.9
69.07066	11.5
77.84386	6.8
79.05473	18.9
80.08822	7.5
81.07058	46.8
82.80338	7.8
91.05478	16.3
93.07036	76.5
95.04962	15.3
95.08588	29.8
97.06497	10.9
105.03393	14.8
105.07024	90.4
107.04948	11.6
107.08578	62.4
109.06521	33.9
109.10165	18.5
114.64927	7.2
117.06993	7.3
119.08593	68.6
121.06480	33.0
121.10133	52.4
123.08055	34.0
123.11721	14.9
131.08525	44.8
133.06482	53.2
133.10130	59.9
135.08054	32.0
135.11673	13.6
137.09634	19.4
143.08533	39.4
145.06593	7.6
145.10107	47.9
147.07997	11.4
147.11700	16.7
149.05904	7.7
151.07538	41.9
155.08572	15.7
157.10144	34.2
159.08063	18.8
159.11703	16.1
161.09637	18.2
163.11180	8.4
167.07025	8.7
167.08516	12.3
169.10109	51.2
171.11665	40.2
173.09586	18.5
173.13249	13.1
175.11168	14.8
181.10124	36.8
183.11647	42.3
185.09605	12.8
185.13196	12.0
187.11227	15.9
192.09500	8.3
193.10133	12.9
195.11722	50.2
197.09622	14.6
197.13228	10.4
199.11139	40.8
199.14772	15.6
207.11690	19.2
209.13185	63.6
210.95274	8.7
211.11211	10.8
211.14816	17.8
221.13260	10.3
223.11140	11.3
225.12802	32.7
227.14345	13.0
236.15614	9.6
237.16499	9.2
239.14325	30.4
241.16162	8.5
245.09325	7.4
251.17934	12.5
255.13733	11.6
267.17459	36.6
269.18811	16.3
279.17337	16.6
284.17679	8.7
285.07831	8.8
285.18552	31.9
297.18509	79.5
315.19489	96.5
345.20605	36.1
357.20493	32.7
375.21570	100.0
417.22745	73.3
435.10907	26.7
435.23770	57.2
447.81216	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	435.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
60.89666	3.9
62.81274	4.4
62.81573	5.1
64.43497	4.0
67.05502	8.0
79.05483	21.3
81.07056	25.4
85.54874	4.7
91.05479	25.2
93.07030	42.8
95.04962	28.2
95.08601	36.6
105.03391	44.4
105.07022	50.9
107.08598	74.3
109.06484	8.1
109.10147	12.0
111.08105	5.0
117.06982	8.8
119.08578	100.0
119.70308	4.8
119.89670	5.7
121.06459	7.9
121.10164	48.6
123.08060	19.1
128.06233	7.1
129.06963	7.4
131.08575	42.7
133.06517	17.7
133.10138	49.8
135.08049	57.8
137.09605	42.9
141.06934	5.5
143.08562	53.6
145.10118	34.8
147.08044	24.8
149.09601	81.7
151.07478	5.7
155.08563	23.6
156.09306	7.0
157.10097	30.5
159.08049	19.5
159.11713	16.6
161.09618	47.9
163.11156	20.2
167.08528	8.5
169.10126	30.2
171.08127	5.6
171.11710	20.5
173.09625	24.4
175.11169	11.5
177.09119	7.2
181.10110	21.8
183.11664	11.2
185.09622	12.0
185.13185	8.0
187.11162	29.2
191.10677	17.3
193.10114	7.0
194.10893	6.5
195.08101	5.5
195.11682	30.8
196.12466	8.2
197.09567	19.7
197.13251	11.6
199.11230	7.0
201.12833	6.4
206.10889	19.2
207.11697	23.3
209.09552	8.3
209.13297	30.1
211.11203	8.5
211.14821	28.3
213.12767	26.6
215.10664	5.2
221.13229	41.7
222.14084	6.0
223.11256	10.6
224.11945	6.0
225.12869	17.4
227.14273	9.1
235.14777	7.2
237.12724	8.0
237.16446	10.1
239.14273	48.9
246.14005	6.4
249.12790	9.7
251.17975	25.5
253.12206	6.8
255.17485	9.8
257.15369	23.5
261.16391	7.4
264.15063	7.6
269.19025	23.2
279.17368	63.6
287.19946	4.9
297.18475	75.5
301.06915	5.4
315.19675	32.4
339.19641	31.8
357.20639	19.8
417.22754	6.3
435.23264	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	435.2377
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
51.25045	0.9
55.05508	5.9
63.31364	0.8
67.05512	6.8
69.07064	5.4
74.70019	0.9
74.78929	1.1
79.05482	5.2
81.07061	8.8
83.08619	5.2
88.12614	1.1
90.75634	0.9
91.05482	2.0
93.07029	7.9
93.48457	1.0
95.08630	6.8
97.06499	1.5
97.10162	2.2
99.35722	1.0
102.11820	1.0
105.03387	1.4
105.07027	2.2
107.08566	4.2
109.10188	1.7
111.08005	1.2
119.08579	1.8
121.10132	6.3
133.10112	4.0
135.11743	3.7
139.03903	3.7
142.14290	1.0
145.10071	1.4
153.01820	30.2
179.03368	6.7
203.07063	1.4
205.04929	15.0
217.04930	1.5
219.06593	2.0
231.06497	17.6
233.08101	1.8
233.46481	1.0
237.26884	1.0
245.08017	4.8
247.09865	1.2
275.12723	2.0
287.12695	2.2
289.14276	6.8
301.14435	7.0
303.15796	7.9
315.15881	6.0
317.17474	1.6
371.22147	28.1
381.20575	36.1
399.21622	100.0
417.22668	79.9
435.23633	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2719
Annotation	Phe Leu Arg
Peak:m/z	Relative Intensity
67.05476	1.2
71.54268	0.8
81.07025	1.2
95.04951	1.0
105.03394	27.3
105.07043	0.8
112.12016	0.7
115.86514	0.9
132.63693	0.8
134.45323	0.8
162.18855	0.8
195.11646	1.1
199.11168	0.8
211.11081	1.6
211.89970	0.7
223.11125	3.2
225.12750	1.3
227.10522	1.2
253.12221	1.0
296.05875	0.8
435.27136	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	435.2724
Annotation	Phe Leu Arg
Peak:m/z	Relative Intensity
56.59440	1.0
57.01620	1.1
63.21550	1.3
72.02213	1.2
73.31122	1.4
79.05484	1.3
81.07037	1.5
84.47684	1.2
90.06236	1.2
98.48881	1.3
105.03415	2.2
120.65785	1.1
147.11708	1.5
325.65372	1.3
365.87769	1.3
417.26242	1.8
435.10995	2.0
435.27185	100.0
435.33109	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
67.05498	1.0
69.07061	1.5
81.07063	2.5
82.20306	0.6
82.52259	0.6
83.08612	0.9
91.05479	1.6
95.08616	1.0
97.10142	1.3
100.13329	0.6
103.86136	0.7
109.10179	0.8
111.11708	0.7
119.04940	6.9
121.10141	0.8
147.04405	100.0
165.05511	2.8
225.28098	0.7
235.20570	1.1
253.21652	2.8
271.22592	0.8
284.79169	0.6
417.26263	0.9
435.27127	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	435.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87961	1.9
55.05519	2.5
67.05504	3.5
68.20280	1.7
69.07047	2.1
79.05490	12.2
81.07061	14.7
83.04974	2.8
83.08627	2.0
91.05470	17.7
93.07028	16.3
93.45522	1.7
95.04957	29.6
95.08607	17.1
105.07031	40.9
107.08558	14.6
109.06517	4.4
109.10156	3.7
117.07025	3.4
117.23925	1.9
119.08562	20.1
121.06448	7.5
121.10133	15.6
123.08093	2.3
123.11702	51.6
128.06213	2.8
128.38295	2.0
131.08546	15.9
133.06479	27.5
133.10129	100.0
135.08061	16.1
135.11694	2.8
137.09573	2.6
137.24011	1.9
143.08557	11.8
145.10106	11.4
147.11707	3.1
149.05981	4.7
149.09619	11.5
151.07533	34.7
155.08539	3.8
157.10104	8.4
159.08043	3.8
159.11674	21.7
161.09615	17.2
169.10127	4.1
171.11641	9.3
173.13229	3.2
177.09081	14.1
179.10674	14.0
183.11700	9.4
185.13326	7.8
193.10188	2.3
195.10152	3.2
195.11758	3.3
197.13292	3.7
207.11691	3.8
209.13213	3.4
217.12056	2.0
220.12317	2.1
221.13316	4.5
237.16322	2.8
251.17723	3.3
253.19521	9.7
263.17865	11.5
271.20496	2.4
281.18997	10.2
299.20004	17.0
317.21136	2.1
435.27930	11.5
439.31165	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	435.3468
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
57.07078	20.8
62.28235	17.3
66.95753	17.2
69.07059	100.0
75.56264	17.0
81.07058	32.7
81.45048	21.0
81.64966	17.5
89.38386	17.1
95.08583	28.9
109.10155	42.0
123.11687	25.4
124.20872	19.3
141.05486	20.8
153.05421	38.1
203.62358	18.2
227.54117	20.1
237.19273	22.1
417.33630	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
56.05033	4.3
57.07076	1.7
64.08765	1.0
67.05503	2.6
69.07074	8.7
71.08644	1.7
75.05952	1.0
76.70753	0.9
81.07059	5.0
83.08618	5.5
91.05493	1.4
93.07030	1.8
95.08615	7.3
97.06538	1.2
97.10238	1.3
105.07048	2.1
107.08595	2.0
109.06498	2.2
109.10175	8.7
111.04517	1.1
111.08063	1.4
111.11715	1.5
113.05975	2.6
119.08555	2.2
121.10134	2.4
123.11745	1.4
135.11707	1.0
137.05992	1.9
141.05461	5.8
153.05463	100.0
154.12265	50.2
171.14903	24.5
175.17769	1.0
195.10155	1.9
205.19550	1.2
215.14362	1.3
263.27228	1.5
276.96829	1.1
287.27518	1.5
334.42047	1.1
417.28632	1.7
417.33578	44.2
435.34302	4.7
435.39627	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	435.3472
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.05521	13.5
56.07592	4.7
56.29350	4.7
57.07078	5.3
67.05495	12.5
67.15396	5.5
69.07063	37.0
71.08618	10.0
78.18428	5.2
79.05491	8.5
80.36544	5.7
80.85718	6.0
81.07066	10.9
83.08616	30.2
95.08599	40.0
97.10132	9.6
98.98467	6.6
107.08577	25.8
109.06515	8.5
109.10154	11.0
113.05962	8.3
120.50849	5.7
121.10152	10.4
125.05991	37.0
135.11707	8.0
139.03908	25.0
153.05460	83.0
155.38481	5.4
178.30217	6.2
191.10709	10.2
274.62646	5.9
417.33670	43.4
435.34937	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	436.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47004	0.7
53.03938	1.0
55.01857	1.0
57.03428	0.9
69.03428	10.5
71.04961	3.6
78.03454	8.0
79.17239	0.7
81.03414	17.8
83.04964	1.1
85.02905	12.2
96.04451	1.2
97.02880	5.1
99.04425	4.3
103.03897	0.7
105.07038	0.8
106.02913	76.3
107.08536	0.7
109.02229	0.9
109.02882	15.0
109.10118	1.2
119.08533	2.8
121.10130	1.2
123.04437	5.7
123.08064	6.1
124.03943	100.0
127.03882	6.3
131.08510	3.5
133.10081	3.3
137.09560	3.2
145.04900	0.9
145.10109	1.7
147.08090	0.8
147.11630	1.0
149.88341	0.7
151.03839	2.9
163.03914	1.0
163.11136	1.4
164.37257	0.8
173.13205	6.4
175.14786	2.9
176.08020	0.7
191.14331	9.9
215.06871	0.7
221.15327	1.1
228.10149	1.0
250.07104	13.1
268.08142	22.4
274.10608	3.6
318.11572	1.2
418.11124	5.9
436.12189	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50294	0.6
65.03910	0.7
69.03419	1.0
70.06582	2.5
81.03425	7.5
85.02909	2.5
93.03413	0.8
99.04420	0.7
109.02877	2.9
111.04456	1.4
112.07601	7.6
123.04465	1.3
124.03954	88.1
125.05981	1.2
127.03887	1.1
127.64338	0.8
133.10101	1.0
136.22615	0.7
140.07079	2.7
147.04401	1.0
151.03909	100.0
151.04924	3.9
165.05479	1.3
169.04958	6.6
193.61423	0.6
203.14319	0.7
295.08136	4.4
313.09128	5.4
436.12259	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	436.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31419	0.9
53.03946	1.0
56.06556	0.7
69.03425	5.3
78.03446	3.7
81.03422	13.4
85.02902	4.0
85.55485	0.7
95.04982	6.1
97.02878	3.6
99.04462	1.0
106.02924	40.5
109.02903	12.0
110.88832	0.8
123.04420	28.9
124.03950	100.0
127.03912	4.2
133.06471	1.4
137.05972	1.8
151.03905	40.1
205.10999	0.9
220.05966	1.0
250.07127	20.8
268.08142	30.4
286.09207	50.8
311.77365	0.8
352.51727	0.9
436.12033	7.3
438.27972	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	436.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25385	1.2
69.03384	1.5
69.04149	1.3
72.33147	1.1
78.78084	1.1
79.05505	1.9
80.87719	1.2
81.03401	6.9
85.02881	2.9
92.04964	2.3
96.08112	5.1
97.02850	1.5
104.39971	1.3
105.03390	64.0
106.06548	37.2
108.08102	53.5
109.02856	5.5
123.04397	2.6
123.06873	4.3
124.07584	21.3
134.06004	21.2
136.07587	12.2
136.26691	1.7
152.07050	92.7
170.08118	29.6
174.55286	1.4
212.39769	1.3
249.07492	1.9
251.80078	1.4
298.77573	1.5
323.68289	1.6
325.82095	1.4
394.80090	1.4
418.14777	7.2
420.74887	1.5
436.16003	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	436.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48859	0.9
53.03923	0.9
59.88231	1.0
69.03425	2.0
75.33406	0.9
79.05473	2.3
81.03406	6.2
81.07075	1.1
85.02894	4.8
92.04995	1.8
95.04950	1.3
96.08118	4.4
97.02891	5.9
99.04510	1.1
105.03396	65.0
105.07005	1.1
106.02914	6.9
106.06556	41.4
108.08114	63.5
109.02872	5.3
117.79156	1.0
123.04443	2.3
123.06808	5.2
124.03946	12.1
124.07585	24.7
127.03951	1.7
134.06020	21.5
136.07584	12.8
137.06021	1.2
151.07585	1.7
152.07056	93.9
161.05975	5.8
162.06384	2.3
170.08096	32.1
172.19693	1.1
189.09117	2.2
190.09451	6.1
195.02893	4.1
196.03136	2.3
205.06264	1.1
207.10132	2.4
208.10518	4.2
219.02774	1.6
231.02910	1.5
232.03246	1.9
249.07651	4.2
262.04434	1.4
268.08301	4.2
286.07990	1.5
286.11285	1.1
298.07684	1.3
303.04950	1.3
304.05252	2.4
340.09070	2.3
418.15231	7.8
420.98666	1.2
436.16058	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	436.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
57.03447	1.3
59.01736	0.8
61.17523	0.8
65.57809	1.0
65.58180	0.9
66.04955	1.0
69.03430	10.8
78.03451	9.8
81.03053	1.0
81.03427	19.1
85.02902	12.2
91.05468	4.6
97.02869	4.3
98.74644	0.9
99.04430	2.2
104.13997	1.0
105.03391	4.3
106.02917	89.9
106.06544	4.4
108.08096	7.1
109.02871	14.5
109.27130	1.0
119.04913	2.3
124.03947	100.0
124.07603	1.2
127.03902	6.0
134.06026	1.0
136.07578	1.2
137.05971	1.8
151.07541	38.4
152.07088	9.0
154.33409	0.9
154.62962	1.1
166.05006	1.3
170.08153	3.9
177.79897	1.1
232.06088	2.1
250.07109	18.0
262.23898	1.1
268.08127	24.9
275.26974	1.1
436.16034	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39148	0.4
52.91543	0.5
53.03943	1.0
53.25718	0.4
56.69587	0.4
57.03435	0.7
60.01291	0.6
62.98129	0.4
69.03434	9.9
71.04985	0.7
73.02893	0.5
78.03451	7.0
78.19735	0.6
81.03419	20.3
85.02906	9.9
88.46314	0.5
96.04462	1.0
97.02905	6.3
99.04425	4.0
105.07050	2.7
106.02915	65.4
109.02877	13.3
123.04427	18.7
124.03947	100.0
127.03918	7.3
133.06493	5.4
151.07567	5.4
153.75723	0.6
226.07350	0.6
230.09053	0.8
232.06213	0.7
250.07085	18.8
268.08124	38.1
273.11124	0.7
274.11560	3.4
420.37320	0.6
436.16006	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36172	0.8
53.03962	1.3
57.90572	0.7
68.06601	0.8
69.03435	11.5
71.05003	1.3
71.79422	0.7
73.02900	0.8
78.03458	8.6
79.16238	0.8
80.62601	0.8
81.03423	21.1
85.02916	13.1
95.22342	0.7
96.04530	0.9
97.02892	6.3
99.04446	5.0
99.05044	0.7
99.20326	0.8
106.02917	87.5
109.02881	18.9
123.04420	9.7
124.03948	100.0
127.03888	8.5
133.06480	1.8
139.52916	0.8
142.25580	0.8
151.07558	3.3
166.04947	1.4
178.17363	1.0
209.36060	0.8
232.06096	1.0
250.07118	17.6
268.08124	30.4
334.96179	1.0
436.16003	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61649	0.8
51.02386	1.1
55.13551	0.9
57.03428	1.0
60.91056	0.8
69.03429	8.6
73.48260	0.8
78.03455	6.7
81.03419	21.7
85.02910	10.4
86.52744	0.8
91.05458	6.5
95.04915	2.0
96.04514	1.7
97.02880	6.0
99.04428	5.3
106.02911	89.1
109.02884	15.8
119.04929	5.4
122.02666	1.2
124.03941	100.0
127.03884	8.0
151.07536	28.6
166.04973	1.1
196.03230	1.1
226.07137	3.6
227.11917	1.0
232.06006	1.4
250.07011	17.5
268.08173	24.2
313.54099	0.9
315.13086	0.9
319.02670	4.3
347.02283	1.2
436.06784	2.0
436.15964	54.6
436.21823	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	436.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36515	0.8
64.40061	0.9
70.06598	24.1
76.30461	0.9
83.04961	1.7
85.02889	0.9
85.33293	1.0
86.06072	0.9
87.04433	1.5
93.03394	1.5
102.10205	1.1
104.07099	1.9
109.02856	0.9
111.04450	1.4
112.07596	47.0
119.04908	1.3
123.04420	47.5
127.03977	1.2
133.10150	1.8
135.04427	5.0
139.03880	2.1
140.07057	13.8
147.04437	9.9
158.08139	4.6
163.03889	52.1
165.05417	9.8
173.13318	1.1
174.89215	1.0
177.05392	1.5
177.09059	3.7
181.04942	100.0
191.03343	2.0
193.05014	1.5
221.15407	1.5
223.06035	5.6
224.09247	1.4
266.10257	1.5
268.08362	1.2
268.77408	1.0
275.80447	1.0
283.11411	1.6
284.11234	9.5
302.12335	3.8
303.08493	1.4
315.08603	32.1
315.12073	1.7
333.09717	7.6
418.15005	1.4
436.16132	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	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56800	0.5
70.06592	54.4
75.50636	0.5
75.77438	0.5
76.50695	0.5
81.03429	0.8
82.51987	0.5
83.04959	1.2
85.02884	0.6
90.97141	0.6
97.02870	0.9
98.97659	0.5
99.04449	0.6
100.63095	0.6
106.12324	0.5
109.02876	4.2
112.07597	100.0
116.07049	1.0
123.04431	2.7
124.03917	0.7
124.07548	0.8
127.03873	1.0
139.03842	0.5
140.05962	1.1
140.07053	35.8
140.84854	0.5
158.08107	8.0
158.66882	0.5
163.03877	1.1
173.13351	0.7
177.09111	0.9
181.04930	2.8
221.15469	0.7
223.05939	1.3
239.75302	0.5
241.06920	1.2
266.10172	2.9
283.11551	2.4
284.11258	22.1
302.12329	3.8
436.17957	4.0
438.11398	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96368	1.1
57.03433	5.3
58.54889	1.0
60.28132	1.0
68.22153	1.2
73.57866	1.1
75.04485	2.9
85.02880	2.8
90.41699	1.7
105.07031	11.8
133.06480	56.4
137.05966	100.0
139.43553	1.2
158.40633	1.4
163.07527	3.3
165.09087	43.8
175.07523	2.3
175.11131	1.4
181.08553	2.5
182.09306	1.8
183.10103	9.9
210.53703	1.3
221.11647	2.0
239.12878	1.7
257.13791	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21048	2.2
53.17025	2.7
55.05495	2.7
57.03416	3.0
69.03421	5.8
74.09666	3.2
81.07044	14.0
83.04967	3.3
85.02895	19.7
90.56621	2.7
93.06994	3.4
95.04947	11.6
95.08606	20.0
97.02869	5.3
105.03396	19.1
105.07022	17.8
106.02902	5.7
107.04962	11.4
107.08572	5.3
108.08115	7.4
109.10161	3.4
119.08568	18.6
121.06489	14.3
121.10148	12.2
123.04412	4.2
124.03970	25.3
124.07542	3.9
127.03892	4.2
131.08574	5.3
133.06488	98.5
133.10086	14.8
135.11670	3.9
136.07542	3.3
137.05980	100.0
138.29474	3.2
145.10143	13.7
147.04459	3.2
147.11693	6.8
151.07555	3.0
152.07076	17.2
159.11681	6.0
161.09653	3.1
161.13246	21.9
165.09109	38.2
170.10863	4.4
173.13264	5.5
175.14845	17.0
183.10181	12.9
185.13223	6.2
203.14357	27.5
221.15340	39.1
257.13846	73.4
268.08209	29.0
287.41043	3.7
369.04590	3.0
400.13831	6.0
436.16238	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	9.1
67.05499	11.5
67.47335	12.2
87.89523	13.0
93.07051	15.3
95.08601	17.3
101.97704	10.6
105.07044	21.6
107.08612	17.8
119.08564	56.1
121.10165	19.8
133.10133	47.6
135.08115	16.8
135.11717	14.5
136.99771	11.5
139.56859	11.3
143.08574	27.5
157.10103	20.1
161.09512	14.2
169.09909	14.7
171.11786	13.2
183.11720	28.9
185.13223	21.3
197.13309	13.0
204.56058	10.9
211.11333	12.7
263.17944	12.7
271.20557	14.4
281.18970	57.6
299.20108	83.1
317.21198	19.8
341.21182	43.2
359.22253	100.0
419.24139	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07046	5.4
80.65647	4.1
81.07037	9.0
93.07024	15.4
95.08611	9.1
105.07010	23.0
107.08582	14.0
109.06480	5.6
111.07450	3.7
119.08577	27.5
119.20906	3.7
121.10145	15.0
123.08036	6.3
124.49923	4.0
131.08566	7.5
133.10135	19.6
135.11710	7.4
138.34476	4.1
143.08562	34.3
145.10114	66.3
149.09676	4.8
150.40610	4.3
155.08557	22.3
156.09375	5.7
157.10155	29.4
157.11281	4.2
159.08037	6.4
159.11694	22.4
163.74481	4.1
167.08557	6.6
169.10101	30.1
171.04640	3.7
171.11714	41.2
173.09575	5.6
179.08589	14.9
181.10152	8.6
183.11707	20.2
187.11154	4.1
193.10155	20.9
194.10925	6.7
195.11700	21.7
197.13271	24.5
206.10966	6.6
207.11678	30.8
208.12486	6.0
209.13211	37.1
211.14830	5.3
221.13295	36.1
223.14847	15.2
225.12685	5.7
233.13292	14.6
234.14117	4.6
237.16493	4.7
239.14326	5.9
239.17899	4.4
248.15526	15.6
253.19557	18.2
263.17889	58.1
281.19012	92.4
299.20071	41.9
323.20065	4.6
341.21109	47.0
359.22049	5.1
370.11572	4.5
401.23233	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	437.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92421	0.6
51.65093	0.6
55.09075	0.6
69.03406	0.8
69.76934	0.6
73.80227	0.7
85.02909	1.2
91.05487	1.2
92.18500	0.8
93.03367	1.6
95.04937	2.6
95.08608	3.6
107.04961	5.2
119.04930	4.8
121.02868	7.5
123.04417	34.7
132.88203	0.8
135.04440	3.9
137.02292	1.1
139.03883	1.2
143.04958	0.8
147.04391	30.9
149.09612	17.8
150.36385	0.9
153.01842	3.6
155.08517	0.9
161.05965	3.5
163.03897	6.8
165.01784	9.1
165.05472	8.6
179.03325	1.3
179.07016	4.0
183.02878	3.8
187.11092	0.9
189.05464	3.0
191.03372	100.0
193.92430	0.8
195.02837	1.7
203.03491	1.5
207.03070	1.3
207.06512	15.6
215.07014	0.9
231.06450	3.3
243.06468	14.9
249.07523	1.0
255.06519	0.9
257.18967	1.4
271.05856	0.9
273.07538	3.1
275.20047	3.4
285.07584	32.7
299.05731	0.8
314.13345	0.9
317.06522	16.5
343.08151	13.8
377.10458	1.0
395.11386	10.3
395.39392	0.8
419.11072	1.0
437.12567	10.2
437.21048	2.3
437.24991	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	437.1233
Annotation	Hyperielliptone HD
Peak:m/z	Relative Intensity
50.92421	0.6
51.65093	0.6
55.09075	0.6
69.03406	0.8
69.76934	0.6
73.80227	0.7
85.02909	1.2
91.05487	1.2
92.18500	0.8
93.03367	1.6
95.04937	2.6
95.08608	3.6
107.04961	5.2
119.04930	4.8
121.02868	7.5
123.04417	34.7
132.88203	0.8
135.04440	3.9
137.02292	1.1
139.03883	1.2
143.04958	0.8
147.04391	30.9
149.09612	17.8
150.36385	0.9
153.01842	3.6
155.08517	0.9
161.05965	3.5
163.03897	6.8
165.01784	9.1
165.05472	8.6
179.03325	1.3
179.07016	4.0
183.02878	3.8
187.11092	0.9
189.05464	3.0
191.03372	100.0
193.92430	0.8
195.02837	1.7
203.03491	1.5
207.03070	1.3
207.06512	15.6
215.07014	0.9
231.06450	3.3
243.06468	14.9
249.07523	1.0
255.06519	0.9
257.18967	1.4
271.05856	0.9
273.07538	3.1
275.20047	3.4
285.07584	32.7
299.05731	0.8
314.13345	0.9
317.06522	16.5
343.08151	13.8
377.10458	1.0
395.11386	10.3
395.39392	0.8
419.11072	1.0
437.12567	10.2
437.21048	2.3
437.24991	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	437.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19447	0.5
56.38264	0.4
57.03438	4.6
60.60657	0.5
61.02914	2.4
63.91924	0.5
69.03408	3.4
71.01328	0.8
73.02924	8.9
76.29929	0.5
76.70306	0.5
81.03408	1.1
85.02885	9.3
97.02879	12.1
109.02852	1.2
115.03883	2.1
115.92874	0.5
125.02344	87.1
127.03909	3.0
137.05975	0.9
143.03389	100.0
145.04967	1.3
163.03828	1.0
167.42157	0.5
185.73328	0.6
192.04633	1.0
207.74973	0.6
230.22406	0.6
257.07803	2.9
305.08658	9.7
380.83258	0.6
392.93695	0.6
437.16174	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	437.1441
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
57.03432	0.5
59.41713	0.4
65.26162	0.5
69.03407	0.5
85.02905	1.1
86.97670	0.5
95.04956	0.6
103.03927	0.7
106.94573	0.5
107.04951	100.0
123.04405	1.1
124.03925	0.7
139.03888	4.2
139.85359	0.5
149.05917	0.7
151.03885	2.8
158.88005	0.6
163.03810	0.8
165.05432	0.8
169.04922	1.2
181.04942	7.6
193.04924	9.1
205.04984	2.7
207.06566	2.6
211.05920	5.3
217.04968	0.9
229.04959	1.0
231.06593	0.9
235.05988	8.0
247.06027	5.9
259.06052	5.1
275.09149	2.9
277.07043	1.0
287.09247	4.0
299.09052	3.4
317.10165	12.6
332.73282	0.7
335.09174	2.1
341.10162	12.9
347.08911	0.6
353.10141	8.0
365.10220	3.2
370.83139	0.6
383.11218	5.1
389.72235	0.6
401.12070	4.5
419.13354	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	437.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40934	0.9
53.03946	1.3
55.33636	0.9
59.38238	1.2
69.03414	2.7
70.69813	1.0
71.04973	1.4
77.14948	1.0
78.03427	1.3
79.05463	1.5
81.03416	12.7
85.02890	5.3
87.06741	1.0
92.04992	1.1
96.08125	2.2
97.02898	2.3
99.04439	4.4
106.02920	34.3
106.06546	18.1
108.08114	29.7
109.02869	10.1
123.04454	2.0
123.06797	4.2
124.03945	32.7
124.07583	15.2
127.03899	2.6
134.06015	27.8
136.07582	34.4
139.03888	6.1
152.07059	85.9
158.08711	1.2
170.08144	20.9
177.70030	1.1
207.02887	2.5
245.13014	1.0
250.07043	1.4
268.08105	5.0
275.09195	1.3
333.93152	1.2
398.59827	1.2
419.09274	1.5
419.14484	15.8
437.15442	100.0
462.22006	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	437.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20331	0.6
62.91312	0.6
85.02883	0.8
97.02962	0.7
123.04468	0.7
139.03929	5.2
159.95348	0.7
165.01830	1.2
179.03410	0.9
180.90936	0.7
191.03398	1.1
205.05054	0.6
219.74538	0.7
299.05453	1.4
307.10233	0.8
317.38943	0.7
379.12128	6.2
411.23837	0.7
437.08820	5.2
437.16269	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	437.1935
Annotation	Deisovalerylblastmycin
Peak:m/z	Relative Intensity
65.49820	0.4
71.51249	0.4
72.67332	0.4
83.74963	0.5
84.01654	0.6
105.03394	5.1
107.84758	0.5
117.01438	0.5
131.32428	0.5
160.11589	0.5
177.02197	0.8
178.01801	0.7
196.02879	0.9
296.06076	0.7
302.12106	0.5
303.12085	1.0
360.07700	0.6
373.81625	0.5
416.63638	1.9
437.19330	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	437.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23202	0.9
61.03436	0.9
69.98916	1.0
173.79027	1.4
303.12115	1.9
437.19318	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	437.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42123	0.5
53.86074	0.4
57.03441	1.3
60.77633	0.5
67.80305	0.5
72.60132	0.6
75.04469	0.7
79.78387	0.5
101.39470	0.6
103.05447	0.9
107.04977	0.6
119.04871	0.7
122.03606	0.8
123.04421	0.7
129.53333	0.6
131.04935	11.8
137.05971	100.0
147.04417	0.8
151.07547	2.9
163.07521	26.1
166.06226	0.6
174.14619	0.6
175.07497	2.4
178.90793	0.6
179.06906	0.6
181.08566	0.8
199.04137	0.7
211.09627	3.7
237.11198	16.5
255.12253	12.9
257.04498	1.1
437.08038	0.6
437.23230	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	437.2687
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
52.36994	1.7
55.05510	3.1
57.03431	1.7
61.46030	2.0
63.98093	1.5
67.35141	1.5
69.07045	2.8
79.05493	2.0
81.07037	4.5
83.08613	21.8
93.07020	7.7
95.08589	10.7
97.06530	2.0
104.20505	1.8
105.07040	3.3
107.04884	6.2
109.06516	2.6
109.10143	2.0
111.08066	17.1
113.09647	3.4
117.07054	1.9
119.08556	2.6
119.61372	1.6
121.10120	9.9
123.04443	2.9
123.11700	2.4
125.05946	4.2
130.79128	2.1
131.08533	17.1
133.10081	3.6
135.04369	1.7
135.34021	1.7
143.08580	2.9
145.10117	10.7
150.07053	2.1
151.03877	19.6
157.10136	2.5
158.70908	1.9
159.11607	9.2
169.10158	2.3
171.07948	2.2
173.09601	8.8
173.13243	88.2
183.11658	8.7
187.07562	4.3
197.13203	8.0
199.14758	2.2
199.75125	2.3
201.12788	14.4
203.07043	7.3
204.23953	2.0
211.14929	2.1
211.44728	1.8
225.12915	1.7
235.14778	2.3
251.14146	3.4
255.17500	2.3
257.04227	2.0
261.82480	1.9
267.21262	2.2
271.78278	2.3
279.13788	7.2
279.17184	3.0
285.03998	2.0
285.07510	8.6
295.13159	2.9
297.15039	12.5
297.18134	3.0
307.16840	3.7
316.38901	2.0
325.17831	22.2
335.16513	2.8
349.17889	3.8
353.17343	7.5
419.25769	7.6
437.07901	2.2
437.13098	4.3
437.26810	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	437.3048
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
54.32841	0.6
55.05496	4.2
57.07080	0.8
66.19693	0.5
67.05486	2.8
67.62548	0.6
69.03427	0.8
69.07056	3.8
71.08604	0.8
71.46998	0.6
75.16195	0.6
79.05484	0.7
81.07055	7.4
83.08604	1.5
85.10125	0.6
85.23318	0.6
91.05474	0.7
93.07013	1.5
95.08592	10.3
97.10162	4.1
98.21153	0.6
102.91608	0.6
105.03380	0.7
105.06995	2.5
107.08598	1.6
109.06514	0.7
109.10146	6.4
117.06974	0.7
119.08548	4.5
121.06477	1.0
121.10131	1.3
121.64178	0.5
123.04449	0.7
123.08044	0.6
123.11713	1.3
125.09606	3.5
131.08521	1.2
133.10075	3.0
135.11676	3.2
136.59099	0.7
137.05943	1.0
137.13255	7.4
143.08598	3.0
145.10130	5.6
147.08044	1.1
147.11693	1.0
149.13258	0.8
155.08566	1.1
157.10132	3.5
159.11642	3.3
161.09583	0.9
169.10147	1.4
171.08058	2.5
171.11682	0.9
173.09613	4.9
173.13228	4.1
181.10121	0.8
183.11681	3.4
185.09525	0.9
185.13199	1.0
187.14787	0.9
189.09097	1.1
191.10658	3.5
193.10089	1.1
195.11685	2.5
197.09520	1.2
197.13292	5.0
199.11168	0.8
199.14804	0.8
207.11731	1.1
209.13307	1.5
211.11174	2.7
211.14882	1.0
213.12677	2.7
215.14407	0.8
216.53517	0.6
219.11676	0.9
221.13300	1.1
223.11127	2.3
225.12762	4.5
225.16348	0.8
235.14810	4.0
237.12689	1.2
237.16396	1.1
239.14276	2.4
247.14865	1.3
249.16289	2.6
251.14227	1.2
253.15855	9.8
255.17606	1.3
263.14279	3.2
263.17719	0.7
265.15833	2.6
267.17514	0.7
277.15927	0.7
279.17361	1.1
281.15421	3.3
281.22769	1.0
283.16983	5.6
293.18829	1.1
299.16199	4.4
301.17975	13.9
311.20023	9.6
313.21518	0.9
317.18875	1.1
325.17960	1.5
327.19690	1.5
329.20901	0.9
335.20102	1.4
339.19452	4.6
341.21393	0.8
353.20963	7.0
354.21863	2.3
367.22534	1.2
401.28183	0.7
419.29471	4.8
437.30502	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	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84366	1.1
52.89033	1.0
55.05514	1.6
67.05534	1.1
69.07060	5.3
75.23800	1.0
81.07057	2.3
83.08616	1.9
88.88191	1.3
91.05458	1.4
93.07003	1.5
95.08598	9.2
97.10160	1.2
105.07009	1.5
107.08594	4.7
109.10147	7.2
119.08578	5.2
121.06479	2.3
121.10148	5.9
123.11663	1.8
131.08604	2.1
133.10143	4.4
135.08113	1.2
135.11696	4.9
137.13242	4.7
140.26865	1.1
143.08578	1.9
145.10132	6.0
147.08051	1.8
157.10149	1.8
159.11673	5.1
161.09727	1.4
169.10208	2.6
171.08090	1.8
171.11656	4.7
173.09596	2.5
173.13274	5.4
183.11766	2.4
185.13280	2.0
187.11104	1.5
187.14769	1.6
189.09087	2.1
189.16554	1.1
191.10699	4.4
195.11641	1.7
197.13335	9.3
199.14746	1.1
209.13339	1.7
211.14944	1.5
213.12761	1.3
225.12634	1.2
237.16357	1.4
251.14545	1.1
253.15868	1.2
265.15970	2.0
281.22610	1.9
285.04184	3.6
285.07431	2.4
299.16388	1.5
301.18021	5.9
309.22058	1.4
311.19992	1.1
325.17905	1.7
327.19714	1.2
335.20093	1.6
339.19650	1.4
353.21066	9.1
354.22025	1.5
367.22867	1.2
381.24249	2.0
401.28525	2.4
419.29596	5.5
422.28159	1.3
428.89102	1.4
437.08051	2.4
437.13101	1.5
437.30554	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	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.22458	2.1
51.99085	2.3
52.67125	2.3
54.45915	1.9
55.05509	2.5
57.07061	2.2
67.05511	3.9
69.07071	20.0
75.67822	2.3
79.05515	3.3
81.03429	4.9
81.07056	18.5
83.08596	12.0
91.05466	4.7
93.07034	3.8
95.04980	24.9
95.08610	30.8
97.06534	4.3
97.10136	4.2
105.07007	18.2
107.08578	16.0
109.06503	2.8
109.10140	24.3
119.08569	24.0
121.06504	2.9
121.10158	11.9
123.11692	14.2
131.08536	4.0
133.10114	11.9
135.11662	9.0
137.13298	18.4
145.10094	10.3
147.11656	5.1
149.13235	9.6
157.10112	4.6
159.11682	13.3
161.09586	2.5
161.13232	31.6
163.14804	14.6
171.08040	3.4
171.11664	4.0
175.14792	9.8
177.16359	4.9
183.11705	5.7
185.13313	2.8
187.14845	13.9
187.56400	2.8
189.16350	17.9
191.17937	5.2
201.16353	18.9
215.14204	2.6
217.15942	4.2
219.17426	93.8
229.19334	2.6
231.17442	28.4
237.16319	3.2
243.17384	24.5
251.17967	3.7
253.19633	3.3
269.19077	3.2
270.75421	2.7
281.18927	12.4
295.20544	11.3
389.32275	3.0
401.31964	3.5
419.33124	100.0
437.18958	4.3
437.34146	86.3
455.24362	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	437.3626
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
50.79082	1.9
55.05516	9.5
55.16061	1.8
56.48389	2.0
57.07072	2.4
62.25651	2.3
62.64656	1.9
67.05495	3.5
69.07073	18.1
71.08625	2.8
81.07050	14.4
81.79304	2.2
83.04988	19.0
83.08611	12.0
85.94261	2.2
95.08624	18.0
97.10184	4.4
109.06512	2.3
111.52180	2.4
115.74323	2.3
119.08554	4.2
121.10138	4.4
123.11721	4.9
137.05968	51.1
139.07513	3.6
142.80251	2.3
151.07593	5.1
153.09210	2.5
155.07091	3.5
161.09660	3.8
179.10677	3.6
187.11217	2.5
189.12782	3.2
193.12206	2.7
207.13786	3.4
401.34030	9.8
419.35211	100.0
419.40759	5.6
437.36316	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58004	3.4
55.05513	8.6
59.12330	3.2
61.90825	3.3
63.42944	3.7
64.15300	3.0
67.05510	35.6
69.07050	8.1
79.05486	8.8
81.07050	58.6
83.08613	8.4
88.13039	4.1
91.05473	6.2
93.07032	20.9
95.08602	50.9
97.06487	4.1
105.07029	16.4
107.08574	29.6
109.06533	4.4
109.10151	23.2
114.91181	3.7
119.08563	24.4
121.10126	24.2
123.11696	6.2
131.08551	6.7
133.10133	8.0
134.82201	4.2
135.11711	7.1
145.10123	17.7
147.11632	7.3
149.13266	4.8
159.11615	4.0
189.09090	3.7
214.51268	4.5
384.32809	7.2
385.31070	22.5
402.33704	28.2
403.31992	7.0
419.36078	19.7
420.34656	24.0
437.37347	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	438.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01875	0.5
56.12016	0.4
57.03437	0.9
57.27177	0.4
61.10011	0.4
69.03436	10.1
71.04987	1.0
73.02926	0.8
74.07076	0.5
78.03452	6.8
80.05013	0.5
81.03420	21.3
85.02906	9.3
87.95447	0.4
95.04955	0.5
97.02885	6.2
99.04468	3.7
101.67876	0.4
105.95547	0.4
106.02914	70.4
107.04951	2.8
108.83323	0.4
109.02881	16.5
112.07600	0.5
124.03947	100.0
127.03889	7.6
132.00633	0.5
135.04411	2.2
136.06166	0.8
139.03893	2.2
140.75385	0.5
149.91487	0.5
152.07005	0.5
153.05457	44.5
166.05016	2.0
171.06548	0.7
195.06557	0.5
226.07047	4.1
232.06091	0.5
243.06494	0.4
250.07071	13.5
261.07520	0.9
268.08145	37.6
279.08633	0.6
402.11945	0.6
420.12848	0.9
438.13895	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	438.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.18452	0.5
57.03446	0.8
69.03419	4.7
72.44751	0.7
72.54794	0.7
73.02931	0.8
78.03455	1.0
81.03424	10.5
81.07051	3.6
83.12461	0.7
85.02901	6.1
85.03341	0.8
85.06551	0.7
87.34003	0.7
89.57325	0.7
97.02874	3.6
99.04456	1.4
106.02918	32.5
107.04952	3.3
109.02888	7.7
109.06535	5.5
124.03951	100.0
125.05997	0.9
127.03909	4.7
135.04399	4.8
137.07085	0.7
153.05463	78.0
171.06573	5.3
226.07108	1.6
250.07079	10.1
258.49664	0.7
268.08145	88.2
308.65979	0.7
420.12894	3.5
438.13943	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64471	0.5
57.37103	0.5
60.46340	0.5
67.00069	0.6
70.06590	46.5
81.03390	2.4
83.04983	0.6
100.04018	0.6
109.02892	4.6
112.07597	100.0
116.07091	1.3
123.04433	3.0
127.03880	1.1
140.07060	35.0
143.03387	1.0
144.03757	0.7
149.62285	0.6
158.08095	11.8
160.93901	0.6
163.03886	1.3
181.04903	1.3
251.60667	0.6
266.10257	3.3
284.11264	16.6
292.13858	0.8
299.77942	0.6
302.12335	12.1
349.73486	0.6
402.17166	0.7
438.20007	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	438.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15005	0.4
56.42758	0.4
60.71668	0.4
62.50817	0.5
65.62344	0.5
68.47720	0.4
68.82535	0.4
70.03431	0.4
70.06594	47.3
81.03407	0.6
81.70673	0.5
83.04981	0.8
84.04518	0.6
85.02911	0.5
101.06024	0.9
109.02853	5.1
112.07601	100.0
113.73228	0.5
116.07070	1.9
123.04424	1.8
127.03865	0.9
139.03937	0.7
140.07063	32.6
147.04390	0.8
158.08128	11.6
207.02875	3.2
208.03282	2.5
211.55617	0.6
212.08997	0.5
266.10245	3.6
276.14722	0.5
284.11261	20.3
302.12375	7.2
360.08075	0.9
402.17682	1.8
420.18539	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	438.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
61.02906	0.8
61.33695	0.6
67.05501	6.1
69.03396	2.5
71.01353	0.6
73.02570	0.5
73.02917	7.3
81.07058	1.2
85.02905	6.6
97.02889	4.6
109.10156	8.3
115.03899	2.7
126.11539	0.5
127.03864	2.3
133.04933	2.1
145.04904	2.6
152.74496	0.5
154.13622	0.5
154.33281	0.6
165.97621	0.5
185.44650	0.5
196.36105	0.6
240.12529	4.9
241.13330	100.0
259.08148	1.0
347.16656	0.9
362.18594	11.5
363.19485	0.7
364.20166	60.5
407.18616	3.5
408.19107	17.5
438.20206	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19785	0.7
68.76880	0.8
80.40997	0.9
82.03845	0.7
85.31947	0.8
202.29646	0.8
206.99696	0.9
240.12550	4.2
241.13322	100.0
257.04617	0.8
258.04907	1.1
262.99176	0.9
279.39630	1.0
362.18631	9.6
363.19537	1.0
364.20148	62.9
390.32434	1.2
407.18381	4.2
408.19135	17.6
433.06894	1.0
438.20218	64.8
458.45740	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	12.3
58.97318	1.9
59.05000	4.3
61.02921	2.2
67.05169	2.8
67.05510	81.2
69.03426	55.8
81.07053	10.2
85.02904	49.6
87.04465	64.5
92.18826	2.3
93.07043	3.0
97.02879	65.1
102.44377	2.4
109.10154	100.0
115.03114	2.7
115.03923	78.4
127.03909	11.4
133.04936	61.2
145.04985	5.2
150.07614	11.6
175.40932	2.4
241.14293	10.0
255.88033	2.1
259.08154	11.1
277.09003	3.1
295.10327	4.5
387.96191	2.3
413.44403	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01992	1.3
55.01873	3.8
55.05513	2.0
57.03446	12.3
61.02917	12.6
65.03931	2.2
67.05166	2.9
67.05507	75.8
67.05865	2.6
69.03435	24.5
71.01354	1.7
73.02917	89.1
77.91337	1.6
79.05491	2.6
81.03398	7.4
81.07037	14.4
83.04980	1.9
85.02393	2.5
85.02905	70.7
87.04465	2.8
87.50646	1.5
91.03951	2.3
93.07065	1.8
95.08595	2.3
97.02895	59.6
99.04433	6.7
103.51753	1.8
107.08576	3.9
109.02860	8.9
109.10155	100.0
115.03924	29.2
127.03930	28.6
133.04971	26.1
145.04967	29.6
150.07576	3.0
163.05983	12.6
177.41049	1.7
208.39870	1.7
218.15820	1.7
223.06207	2.1
241.07031	8.0
241.13554	8.8
259.08121	17.1
277.09076	3.1
295.10101	13.2
364.20142	6.7
438.19992	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17185	1.5
57.06247	1.3
57.19216	1.4
67.05513	1.9
77.99122	1.3
81.03426	2.0
81.07069	2.7
91.05463	2.1
93.07048	14.9
94.76154	1.6
95.04972	16.1
95.08604	6.7
105.07053	3.4
107.04909	1.9
107.08584	6.5
109.10172	13.8
111.08089	3.9
117.07006	2.3
119.08577	29.5
121.10136	3.9
133.10130	100.0
135.08073	6.5
137.09610	8.8
145.10149	8.0
147.11665	10.3
159.11745	5.9
163.11229	16.7
173.13255	7.2
185.13193	2.4
197.13293	2.2
219.10258	1.5
237.16405	2.2
265.19516	2.9
283.20557	14.6
410.86472	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	439.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72589	0.7
51.22889	0.6
51.98537	0.9
62.25299	0.7
73.61351	0.7
80.24812	0.8
93.23122	0.7
99.89906	0.7
112.40288	0.8
123.04428	1.2
155.03120	1.0
229.06833	1.6
288.53891	0.7
317.08405	31.5
317.11929	1.5
439.12057	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	439.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46927	0.6
64.45463	0.6
68.03020	0.5
68.26700	0.5
69.97499	0.5
73.02921	1.2
82.29967	0.5
123.04400	1.0
144.56660	0.6
152.89404	0.7
161.70494	0.6
163.03871	0.6
226.66243	0.6
229.06931	4.6
235.24701	0.6
293.84930	0.6
317.08417	45.7
407.22305	0.6
439.12088	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	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26897	0.6
52.40566	0.7
53.88015	0.6
59.60931	0.7
61.96933	0.7
66.99944	0.7
78.84422	0.9
84.01868	0.7
85.02897	0.7
95.01086	1.7
110.80800	0.8
113.02130	5.3
116.95859	0.8
123.04475	0.8
126.02913	1.2
139.03908	0.9
151.03882	1.4
153.01794	1.0
157.04662	0.8
163.03964	0.7
165.01735	0.8
185.04205	6.4
193.09711	0.8
195.02838	1.8
201.03708	2.8
202.06015	7.5
208.05704	0.7
219.02811	1.5
231.02890	0.8
241.18294	0.8
255.06375	0.8
319.08279	0.9
343.08014	1.0
357.26126	0.7
372.51877	0.7
398.36484	0.7
439.15723	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	439.1938
Annotation	Phe Trp Ser
Peak:m/z	Relative Intensity
66.54174	0.3
81.07043	0.4
93.07001	0.4
107.43531	0.4
128.04147	0.4
138.95631	0.4
151.03920	0.3
153.01843	0.4
157.37099	0.5
165.05399	0.4
165.98810	0.4
168.77582	0.4
248.87036	0.4
277.14078	0.8
374.97839	0.5
439.06470	2.3
439.19290	100.0
444.63876	0.5
448.57541	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	439.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08968	2.6
64.25493	2.6
68.17845	2.6
71.58202	3.0
74.28304	3.1
76.55295	3.1
79.05470	4.5
81.07042	6.4
88.70364	3.5
91.05477	5.0
95.04971	4.7
105.03397	100.0
105.07014	13.3
116.52061	3.3
119.08617	4.3
129.06998	6.7
131.08566	6.2
141.06963	12.8
142.73344	3.4
143.08562	5.8
147.08118	4.0
152.91893	3.1
155.08536	22.4
157.10097	3.9
161.09607	7.4
167.08626	3.8
169.10127	60.8
171.07954	5.0
179.08530	15.9
180.09245	4.9
181.10095	13.3
182.10927	5.6
183.11700	23.9
191.08606	4.5
192.09315	4.0
192.26044	3.3
193.10258	5.8
195.11725	16.3
196.12447	14.9
197.09634	6.1
197.13278	5.1
206.10913	16.2
209.09428	3.6
209.13263	6.5
211.11571	3.0
211.14819	66.0
214.29785	3.5
221.13156	42.7
239.14276	64.6
243.09346	3.4
257.15451	12.8
265.12106	3.6
274.32318	3.7
421.20712	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	439.2302
Annotation	Tyr Arg Thr
Peak:m/z	Relative Intensity
51.44133	0.4
92.17866	1.2
93.12710	0.5
114.43832	0.5
116.55894	0.5
127.61015	0.6
137.73700	0.6
190.07683	0.5
317.71509	0.5
374.98010	1.0
439.22995	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	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
50.85501	0.5
54.11921	0.6
54.67045	0.6
63.52375	0.6
73.67664	0.6
80.78334	0.6
198.65024	0.7
254.30951	0.8
264.17566	0.8
439.23004	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	439.2691
Annotation	Briarellin Q
Peak:m/z	Relative Intensity
50.89429	1.6
55.05512	13.3
66.90608	2.0
67.05504	26.6
69.07076	17.6
75.80300	2.1
79.05491	9.1
81.07059	29.7
83.08620	14.9
88.66068	1.9
91.05466	4.2
93.07050	14.7
95.08597	31.2
97.06535	3.8
97.10167	11.4
99.08075	3.6
101.14657	2.2
107.08567	10.7
109.10136	19.1
110.31632	2.6
111.11697	3.5
119.08593	8.6
121.10146	27.3
123.11672	8.7
127.03909	80.6
133.10132	3.1
135.11708	13.5
137.09546	3.7
139.03914	16.9
139.11223	3.1
147.11617	3.8
149.13292	4.3
153.01826	100.0
155.03387	3.4
155.28369	2.2
158.84135	2.2
158.88712	2.2
165.05434	2.5
169.04973	9.8
175.14763	2.8
181.04955	5.0
182.51483	2.6
212.83669	2.1
217.19556	4.5
235.20636	12.2
253.21620	16.7
277.21555	10.5
295.22687	50.6
379.24838	14.2
403.24789	14.1
421.25778	16.5
439.20322	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	439.2843
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
53.33234	1.1
55.05503	5.0
55.94423	1.1
57.03422	1.1
66.50736	1.1
69.07062	4.7
81.07041	2.9
82.09692	1.3
83.08611	21.4
91.05475	1.2
93.07034	2.2
94.92448	1.2
95.08629	10.0
103.22711	1.3
105.07011	2.5
107.08588	1.6
111.08057	8.3
113.09597	2.8
119.08558	4.7
121.06463	2.2
121.10112	2.1
123.11700	2.8
131.08580	2.2
131.31613	1.3
133.10124	2.5
135.04305	1.5
139.11151	1.2
139.67778	1.2
143.08513	2.2
145.10089	2.5
147.08029	5.0
157.10170	1.5
159.11685	1.5
161.09598	1.8
169.10252	1.7
171.08032	2.0
171.11650	2.3
173.09619	4.7
173.13254	18.2
175.14771	1.4
177.34706	1.5
181.10063	1.3
183.08089	1.4
183.11679	5.0
185.09569	2.9
185.13231	2.3
189.09097	8.5
197.09650	2.2
197.13258	1.6
199.11253	4.5
201.12842	2.2
211.11194	6.1
213.12697	2.8
213.16255	1.9
223.11110	4.9
225.12727	8.1
235.14795	2.3
237.12811	4.9
239.14247	7.0
241.15854	2.1
251.14284	2.1
253.12090	2.0
253.12962	1.7
253.15875	40.2
254.16635	2.2
255.17497	2.0
263.14362	1.6
263.18033	5.2
265.15912	2.6
267.14047	1.6
267.17429	5.9
271.06079	1.4
277.15710	2.0
279.13907	1.5
281.15372	8.5
281.18954	6.0
291.17456	6.5
297.14926	5.3
299.16470	15.0
299.19659	1.8
309.18423	20.5
311.20004	2.5
327.15921	2.3
327.19571	41.3
337.17880	2.0
351.19562	2.6
355.19183	6.1
365.24414	2.3
421.27496	11.4
439.10312	2.3
439.28409	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	440.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
72.31440	0.5
78.03445	0.4
99.41080	0.7
107.88758	0.6
187.45387	0.6
199.11159	0.8
217.09694	2.1
235.10304	0.6
257.09097	1.0
259.10754	3.5
261.08685	34.2
277.11819	2.4
281.05106	0.5
283.16824	0.5
285.08658	12.7
303.09729	100.0
440.18109	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
55.05502	3.1
55.55035	1.8
57.03439	16.6
60.82510	1.7
61.02924	15.7
67.05520	1.6
69.03431	35.7
69.07067	61.8
71.01338	3.2
73.02918	87.3
81.03412	7.1
81.07039	2.4
85.02908	100.0
87.04444	4.1
88.50558	1.7
91.03943	2.7
92.17900	3.3
93.42692	1.5
94.24526	1.8
95.08636	1.8
97.02888	67.9
99.04446	2.9
103.03916	2.2
106.39245	1.8
109.02875	11.7
111.11710	19.7
112.71343	1.7
113.05584	1.8
115.03909	22.0
127.03897	37.0
129.05447	3.8
133.04956	25.7
137.05862	1.8
138.77013	1.9
145.04962	38.8
150.07622	3.5
163.05997	23.8
165.12631	1.9
195.23386	1.7
222.99478	1.8
223.06052	4.4
237.14853	1.7
241.07027	4.2
243.15913	4.2
259.08078	19.3
273.17136	3.0
277.09222	2.6
295.10251	14.1
371.34216	1.7
440.24194	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31865	0.6
55.01879	5.8
55.05519	7.7
57.03442	14.6
59.04991	1.1
60.55825	0.7
61.02928	14.7
65.40939	0.6
65.95191	0.8
67.05509	1.4
69.03428	29.6
69.07068	62.3
71.01348	4.1
71.04982	1.7
73.02917	92.5
79.05507	0.8
81.03417	6.2
81.07064	1.3
81.28031	0.8
85.02904	100.0
87.04467	4.9
91.03947	4.6
93.07044	1.6
93.63118	0.9
95.08598	1.7
96.04486	0.8
97.02891	65.5
99.04448	4.1
103.03937	5.0
105.07034	0.7
109.02888	10.5
109.10139	1.1
111.11716	25.1
115.03091	1.0
115.03921	30.6
120.12659	0.7
121.10155	1.1
123.04430	0.8
123.11708	1.4
127.03915	35.2
133.04958	30.1
145.03807	1.3
145.04958	40.6
150.07607	4.1
151.03938	1.2
163.05988	22.1
169.12318	0.7
172.30875	0.8
193.04872	0.7
199.06073	1.3
207.13739	1.3
208.93311	0.7
217.07036	1.4
223.06000	6.2
225.14902	1.8
237.14803	0.9
241.07013	10.7
243.15877	6.2
255.15904	3.7
259.08109	22.6
273.16998	1.8
277.09186	6.3
295.10211	17.3
369.99338	0.8
440.23996	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	440.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
67.05512	2.9
67.95034	1.9
71.08621	19.4
71.18929	2.0
79.05481	2.5
81.07063	4.4
81.62703	2.2
84.73695	2.3
93.07024	3.6
97.75520	1.8
99.08079	9.5
105.07010	4.7
117.07115	2.1
121.10150	2.4
145.10149	3.3
159.36684	2.2
171.11694	5.1
189.12767	3.1
206.10974	2.2
218.33478	2.2
377.26846	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22987	1.3
52.29725	1.4
53.60595	1.6
55.72865	1.2
56.96572	3.6
66.86766	1.4
72.81805	1.6
87.38031	1.5
98.97584	77.4
100.99228	1.5
110.97559	7.4
112.99121	1.9
116.98621	24.0
118.64474	1.4
120.63250	1.5
128.98610	11.1
134.99646	1.8
140.98592	8.1
143.00154	33.1
146.99660	2.3
152.98604	3.3
158.99641	88.1
161.01207	15.3
170.99632	50.2
173.01292	1.8
177.00691	44.8
179.02327	2.8
181.14690	1.5
182.05843	1.5
182.99644	29.8
189.00708	22.5
197.03310	2.2
201.00717	100.0
210.95874	5.3
213.00519	2.8
214.95374	5.9
219.01746	49.8
221.03334	2.5
228.96931	15.6
231.01776	2.6
232.96367	2.4
237.02879	11.2
239.04388	11.4
240.96933	2.0
243.01738	75.6
246.98082	7.1
249.01276	2.5
254.98666	1.9
256.96426	2.3
258.98077	17.2
260.08038	1.6
260.99954	2.6
261.02792	61.7
267.98605	2.7
270.97925	1.8
274.97601	5.9
275.97839	2.2
276.99103	9.4
279.03815	30.3
283.48044	1.8
288.99072	6.5
291.03653	2.3
303.00626	1.9
319.00034	19.3
321.01553	4.5
321.04926	24.4
333.01694	10.0
337.01190	2.7
350.02771	1.6
356.04001	1.5
381.03336	35.8
381.07532	9.4
399.08133	30.7
403.11163	9.4
441.09827	94.4
450.34644	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	441.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11014	0.7
53.67307	0.7
56.26636	0.8
63.90262	0.9
71.65241	0.9
84.91192	1.6
98.91904	1.6
98.97580	1.2
118.22929	0.8
145.94106	0.8
158.99670	1.9
170.99727	1.7
190.98068	0.9
196.48322	1.0
201.00722	4.5
219.01810	3.9
238.66492	0.9
261.02814	4.6
279.03848	1.9
321.05063	1.5
365.10486	1.6
423.61148	0.9
441.10025	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	441.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44572	1.5
55.97294	1.3
58.17577	1.7
59.71196	1.4
60.28754	1.3
69.03406	2.1
74.79079	1.8
81.03404	2.0
85.02861	3.5
90.51148	1.7
107.04942	3.2
119.04885	3.2
121.15805	2.0
123.04416	50.4
137.05914	2.3
139.03848	11.8
147.03282	2.6
147.04395	48.9
151.03830	10.2
161.05917	8.0
165.05385	3.3
172.49831	1.8
179.06914	8.9
189.05362	9.7
203.06998	2.8
207.06557	28.9
211.53773	1.8
217.08572	2.8
231.06380	7.6
237.02785	1.8
243.06502	22.7
245.04300	2.4
246.11179	7.4
271.06030	3.2
273.07648	2.4
275.27045	1.8
289.15198	3.1
291.08594	3.3
329.06500	3.1
378.04556	2.0
395.11215	37.9
423.10480	11.9
441.11499	100.0
441.17078	3.7
441.20731	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	441.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55798	1.4
63.95364	1.4
66.34536	1.6
78.52771	1.4
83.73948	1.6
87.42596	1.5
88.27161	1.6
89.93715	1.6
95.04965	2.3
104.51154	1.7
107.04961	100.0
109.51257	1.5
111.00800	3.4
119.04945	32.2
121.02836	2.7
123.04404	7.8
127.03928	3.9
131.47681	1.6
133.06442	2.5
137.06003	2.5
139.03896	10.4
144.59746	1.8
145.06496	3.5
147.04396	33.3
149.02391	2.6
151.03911	18.4
165.05646	1.9
167.03397	12.5
169.04997	13.4
171.04424	3.0
181.04951	33.3
185.06017	3.7
189.05527	2.6
200.56982	1.7
203.07164	1.9
209.04536	2.4
213.05460	6.7
219.06517	13.1
221.04317	8.0
227.07086	2.6
231.06526	97.9
245.04456	14.3
245.08017	2.5
255.06506	7.3
257.04492	18.0
271.06049	11.9
273.07538	32.1
276.95728	1.9
285.03943	6.6
287.05490	88.1
289.03525	3.2
289.06964	9.0
305.06592	21.6
317.06662	23.0
329.06522	2.3
423.10577	4.0
441.07947	11.1
441.12610	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	441.1206
Annotation	Hallactone B
Peak:m/z	Relative Intensity
52.75893	1.7
65.52626	1.8
69.03426	1.7
70.95859	2.1
71.91678	1.7
78.92266	1.9
95.08590	6.5
98.23313	1.7
107.08665	1.6
109.06617	1.7
109.23386	1.7
119.08540	3.7
121.10165	3.3
122.07267	6.9
123.08082	12.6
132.95831	3.8
133.06482	3.0
133.10149	17.7
139.03871	2.1
144.95758	2.2
147.07951	2.0
147.11714	18.4
148.08859	2.4
148.12492	13.4
149.09596	16.5
153.01726	2.3
154.97980	2.4
158.97383	14.1
161.09636	1.9
161.13269	2.9
173.13181	2.1
174.96883	6.6
175.11177	17.0
186.96907	2.2
189.12761	10.1
189.26712	2.1
190.13606	4.1
191.14374	2.2
195.01114	9.3
207.01039	1.9
213.02106	6.9
216.97908	12.6
221.02635	8.6
234.98952	35.3
235.04115	3.3
239.03761	11.8
246.11234	7.2
249.02141	6.2
251.03580	2.4
261.05829	14.3
263.03604	6.1
263.07416	2.3
265.01529	4.0
277.01752	2.8
277.05200	2.0
279.06815	27.0
281.08337	3.5
288.04327	1.9
289.15576	7.8
293.08453	4.1
297.07880	10.5
303.06989	2.5
305.08145	11.5
307.06079	2.2
317.08344	3.5
321.07840	33.2
333.07816	19.5
339.08997	6.7
363.09048	2.9
381.09882	13.9
423.11136	18.7
441.12106	100.0
441.17365	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	441.1369
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
51.94039	0.5
53.00251	0.5
74.10250	0.6
95.80594	0.6
97.97915	0.6
123.04375	1.2
188.38251	0.7
240.80411	0.8
245.04529	0.9
292.06186	0.6
311.86267	0.5
434.16849	0.8
441.13583	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	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97665	0.5
95.01130	2.2
112.50172	0.7
113.02124	2.9
162.12079	0.6
185.04189	5.6
201.03714	1.1
203.05292	1.2
204.07635	5.5
210.26601	0.7
242.21019	0.8
259.07779	0.9
279.12027	1.1
411.48999	0.7
441.17316	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	441.1908
Annotation	Vernodesmin
Peak:m/z	Relative Intensity
50.58590	1.3
54.72422	1.3
60.61031	1.4
63.07339	1.4
65.13420	1.5
68.40630	1.6
69.03386	2.0
88.72733	1.5
96.20821	1.6
105.07017	1.6
114.09166	29.8
131.04932	3.1
131.08574	1.8
137.05974	100.0
151.07547	18.7
161.06001	3.2
163.07552	7.7
164.31264	1.5
173.05957	1.7
173.13290	1.8
175.07521	18.0
177.05452	2.0
177.09125	3.0
179.07121	2.8
187.07582	6.0
189.09052	12.9
189.18846	1.7
191.07024	6.8
191.10670	1.6
195.10164	7.6
199.07542	9.9
201.09061	5.5
203.07077	5.6
205.08507	2.0
209.08165	1.9
213.09126	3.4
215.07057	1.8
217.08603	3.7
227.17513	2.6
229.08594	1.5
231.10237	1.7
233.11737	3.3
241.08678	3.6
249.11142	2.1
250.09618	1.5
259.09415	2.8
277.08725	2.3
278.12320	2.3
293.11749	2.2
296.10492	2.4
297.11328	2.7
299.13022	4.9
303.10165	3.1
305.11722	7.6
309.11255	2.0
311.12836	6.6
311.20129	1.6
321.11288	6.6
322.12064	1.8
323.12817	1.7
333.11188	2.0
335.12912	2.0
337.14294	2.2
343.15411	1.8
349.14352	2.8
351.19800	1.8
354.13812	1.6
355.15433	3.0
363.16013	2.9
364.44788	1.8
365.13876	2.5
367.15414	9.8
379.15445	2.9
381.16983	3.2
397.16394	3.3
405.16904	6.2
418.99484	1.7
423.17972	28.3
441.19150	29.9
441.29355	2.9
441.34494	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	441.2096
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
50.00600	0.5
51.37362	0.7
60.79049	0.6
67.05527	0.7
69.03443	1.1
70.06580	1.1
73.20977	0.6
73.69320	0.7
81.03395	0.9
81.07043	1.1
84.01846	0.8
85.02892	1.4
85.06556	1.2
86.09705	1.4
90.03812	0.6
92.17918	1.1
93.50089	0.8
95.01086	0.6
106.02929	1.0
107.04919	0.8
107.67324	0.6
109.02894	1.3
112.01331	0.9
113.02123	3.6
123.04439	5.3
124.03924	2.9
127.03957	1.0
132.05240	0.7
139.03929	2.5
144.02144	0.7
146.05981	3.5
147.04384	4.7
147.06342	3.0
151.03914	2.8
185.04169	5.2
189.05472	0.8
201.03763	0.9
203.05263	1.0
204.07512	5.3
207.06520	1.4
234.99091	0.7
243.06508	5.8
246.11290	4.9
259.07904	1.7
271.06116	0.8
279.11966	1.0
289.07077	1.1
289.15463	1.6
367.13657	0.9
395.11304	3.7
400.07605	4.2
423.19345	0.9
441.16565	49.2
441.20969	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	441.2097
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
50.18416	0.2
51.46303	0.2
52.95568	0.2
63.15368	0.2
82.52549	0.2
108.17063	0.2
125.53178	0.2
137.60085	0.2
153.82965	0.2
173.14697	0.3
194.91077	0.2
197.07822	0.3
285.09427	0.8
311.12360	0.3
329.13635	1.2
347.14618	0.9
405.18765	0.5
423.19922	1.3
441.20950	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	441.2249
Annotation	Val Trp His
Peak:m/z	Relative Intensity
53.90191	0.6
56.87356	0.5
63.91917	0.5
67.15395	0.7
76.00509	0.6
83.32980	0.7
93.07024	0.9
95.08627	0.9
100.37236	0.6
104.40511	0.7
107.08501	1.0
109.10210	0.6
115.01314	0.6
119.08569	1.0
121.10151	0.6
133.10001	0.7
136.64156	0.7
145.10139	4.4
159.11761	0.8
363.19214	6.7
381.20392	7.4
441.22470	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	441.2248
Annotation	Val Trp His
Peak:m/z	Relative Intensity
50.08822	0.7
55.06978	0.6
63.42160	0.7
70.63638	0.9
74.74474	0.7
81.07064	1.2
83.32684	0.8
86.10094	0.8
91.05477	1.1
93.07033	0.9
101.32683	0.7
105.07023	4.1
109.06530	1.1
119.08540	1.3
121.10114	4.7
130.92432	1.0
133.10124	3.7
143.08565	1.3
145.10117	3.8
147.07993	1.1
157.10187	1.4
161.09560	1.0
169.10179	1.1
171.11676	1.7
183.11707	1.4
197.13098	1.2
209.13382	0.9
223.14874	1.1
281.18884	1.0
381.20370	10.1
441.22473	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	441.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	2.1
58.28639	1.7
62.14461	1.8
63.76579	2.3
67.05494	2.9
67.64656	1.9
69.07082	3.2
79.05503	3.6
81.07048	12.7
91.05479	3.4
92.00223	2.0
93.07056	3.6
95.08589	11.9
97.06543	2.7
105.07034	9.9
107.08578	9.4
109.06499	8.2
109.10149	4.2
110.22720	2.2
117.07033	2.5
119.08582	19.9
121.10123	4.5
123.08047	5.3
123.11724	2.8
131.08553	10.0
133.10126	5.2
135.08035	2.6
137.09662	7.7
143.08540	14.7
145.10092	4.6
149.09628	3.3
155.08539	12.9
157.10133	10.6
159.08023	4.9
165.07007	2.5
167.08633	3.1
169.10117	10.1
171.11665	12.6
173.09601	9.3
181.10071	15.6
183.11662	10.5
193.10178	10.4
194.10901	4.6
195.11705	21.1
197.09660	3.6
197.13231	4.6
199.11226	3.0
204.09335	3.1
206.10934	4.9
207.11752	14.4
208.12543	3.1
209.09717	8.6
209.13310	14.0
211.11169	2.6
218.10738	2.6
219.11751	16.4
220.12480	10.8
221.13173	15.3
222.10352	3.5
222.14040	3.1
223.11156	10.2
223.14790	2.7
223.52538	2.4
225.12630	2.4
225.16380	2.6
230.19243	2.7
231.11664	29.0
232.12300	3.8
233.13139	3.9
235.14789	9.1
236.12029	3.6
236.15422	2.3
237.12738	18.7
237.16385	10.0
239.14159	2.6
246.13986	30.3
247.91158	2.5
249.12721	4.2
251.17963	20.3
253.15912	2.8
261.16370	52.5
264.15103	4.5
278.16885	2.0
279.17413	100.0
297.18448	12.5
298.27829	2.7
321.18344	20.4
339.19733	17.8
381.20563	4.2
399.21814	15.1
441.22534	22.4
441.29752	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	441.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09809	1.8
69.07067	3.3
71.02349	2.0
81.07052	3.9
84.53758	1.9
85.06549	3.6
91.05481	3.5
93.07030	4.1
95.08626	4.7
105.07014	15.2
107.08588	7.9
109.06493	11.3
109.10181	2.7
119.08586	13.8
121.10128	4.7
123.08040	4.3
126.30932	2.0
131.08554	4.9
133.10146	8.3
135.07990	3.2
137.09621	3.1
143.08553	12.0
145.10081	3.8
147.07944	3.0
149.09604	2.9
155.08534	9.7
157.10106	8.3
159.08047	4.8
159.11682	2.1
167.08507	2.5
169.10168	15.7
171.11674	11.3
173.09610	9.1
181.10121	11.5
183.11653	15.5
185.09641	2.6
193.10152	8.4
194.10857	3.3
195.11670	19.7
197.13376	2.8
204.09436	2.4
205.10284	2.0
206.10852	4.1
207.11633	14.9
208.12405	3.5
209.09584	8.3
209.13264	20.7
211.11180	2.3
218.10828	2.3
219.11684	12.9
220.12535	8.4
221.13245	14.2
222.13934	2.6
223.11227	10.5
223.14796	4.4
231.11714	15.1
232.12598	2.4
233.13115	2.6
235.14873	10.6
236.15608	4.4
237.12741	12.4
237.16368	9.0
246.14082	20.4
249.12743	2.7
251.17976	17.9
253.15808	4.0
261.16336	39.0
263.07373	1.8
263.14334	3.0
264.15048	3.6
279.17416	100.0
297.18472	13.0
321.18469	13.0
339.19470	21.3
376.75577	2.1
377.90268	2.3
399.21631	12.6
441.22418	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	441.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21262	2.0
54.94091	1.8
55.05525	2.3
69.07047	5.0
71.45227	1.9
79.05486	2.7
81.07063	8.1
89.97301	2.2
91.05491	3.7
92.17889	2.6
93.07062	6.8
95.08598	9.9
97.06486	2.4
105.07021	9.1
107.08605	10.5
109.06539	8.5
111.08100	2.7
115.05454	2.6
117.06954	2.8
119.08611	16.8
121.06492	3.8
121.10133	4.0
123.08051	5.1
131.08556	10.5
133.10107	5.3
135.08031	4.0
137.09604	10.2
143.08565	8.8
145.10074	7.7
149.09555	2.6
155.08531	8.7
157.10168	7.6
159.08031	3.3
165.09158	2.9
169.10104	10.2
171.11661	8.4
173.09584	4.8
181.10133	11.8
183.08023	2.1
183.11702	13.8
191.08708	2.6
193.10120	10.5
195.11694	15.2
197.13046	2.8
199.11206	3.5
203.08563	3.0
204.09369	2.3
205.10129	8.3
206.10938	12.1
207.11662	16.6
208.12558	2.6
209.09615	10.6
209.13240	19.0
213.12798	2.4
217.10104	3.0
219.11717	13.2
220.12492	9.2
221.13231	13.3
222.10428	3.9
222.13956	3.9
223.11177	13.2
223.14708	4.2
225.16328	2.7
231.11638	29.8
232.12328	4.0
235.14857	9.1
236.11868	3.6
237.12692	16.3
237.16420	11.0
246.14056	30.3
249.19385	2.0
251.17876	19.4
253.15767	2.7
261.16388	48.8
264.15103	3.6
279.17444	100.0
280.17548	2.5
297.18448	12.9
321.18518	15.7
339.19534	20.9
381.20541	2.7
399.21652	13.8
405.26147	2.4
439.78485	2.5
441.22571	23.2
441.30026	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	441.2999
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
52.90386	0.8
55.05516	2.3
60.55647	0.8
67.05502	1.4
69.03458	0.9
72.07421	0.9
81.07056	1.9
83.08617	12.1
91.05446	1.3
93.07027	3.8
95.08577	4.9
105.07005	2.0
107.08598	1.2
109.10143	2.0
111.08071	11.9
113.09583	2.4
119.08573	1.5
121.06519	1.0
123.08018	1.5
123.11730	1.9
131.08546	5.6
133.10127	1.5
135.07993	1.3
135.11678	1.0
137.05960	1.3
137.09657	1.0
145.10110	9.2
147.08061	2.0
147.11684	1.5
155.08470	1.2
157.10199	1.0
159.08006	1.7
159.11708	1.4
161.09570	1.9
171.08046	1.2
173.09650	7.9
173.13237	48.1
183.11673	1.6
185.13287	1.3
187.11096	2.2
189.09106	4.3
191.10651	3.9
195.11613	1.2
197.09647	1.1
197.13211	4.1
199.11145	1.7
201.12700	5.2
202.39142	0.9
207.10059	2.1
209.13258	1.3
211.11137	1.2
213.12883	1.5
215.17982	1.6
221.13344	1.1
225.12646	1.2
227.14394	1.5
231.13704	1.1
233.18987	1.8
235.14767	1.5
237.16472	1.6
253.15880	4.2
255.17407	4.5
263.14557	1.2
265.15918	2.3
275.18030	1.4
283.16928	5.6
283.20605	1.2
293.19016	5.4
299.16315	1.8
301.18018	8.2
311.20016	10.7
313.21664	1.4
329.21054	22.3
331.22842	1.5
339.19446	2.0
353.21011	7.5
371.21964	1.7
423.28906	11.8
441.29959	100.0
463.88168	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	441.2999
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
52.75200	0.7
55.05487	1.7
56.60553	0.7
57.03425	4.7
66.02983	0.8
67.05508	1.2
69.07057	1.3
73.19255	0.8
79.05486	1.3
81.07083	6.2
83.08598	10.3
83.87325	0.9
90.66291	0.8
91.05454	2.0
92.18495	0.9
93.07014	5.4
95.04951	1.8
95.08617	8.8
105.07009	5.4
107.08572	5.2
108.43148	0.8
109.06501	1.5
109.10140	1.7
111.08073	17.3
113.09632	1.8
114.92898	0.9
119.08559	2.1
121.06505	6.7
121.10090	2.0
123.04385	1.5
123.08032	1.5
123.11680	1.9
131.08533	5.3
133.10110	5.0
135.08113	1.5
135.11681	1.0
139.03889	1.3
139.11171	3.7
141.12737	11.5
143.08560	3.9
145.06430	4.0
145.10130	15.6
147.04401	1.0
147.08003	9.9
147.11763	1.3
157.10098	1.5
159.07996	7.1
159.11684	4.8
161.09607	7.0
169.10010	1.3
171.08052	8.0
173.09596	6.9
173.13243	20.0
175.11255	1.0
181.10040	1.0
183.11572	1.4
185.09558	1.2
189.09106	26.2
191.10645	6.8
195.11679	1.9
197.09508	1.2
197.13263	1.1
199.11154	2.1
201.09058	1.1
201.12755	3.9
207.10117	14.5
207.11800	2.0
209.11630	1.8
209.13406	1.2
211.11034	1.5
211.14864	2.2
212.12006	1.9
215.14330	1.7
215.17929	8.2
221.13182	1.0
223.14899	1.7
225.12730	4.9
227.14273	10.5
233.19078	3.3
235.14789	1.0
237.12703	1.2
237.16341	3.6
239.14279	4.3
241.15753	2.1
243.17505	1.4
253.15884	4.6
255.17340	5.3
265.15851	6.7
265.19321	1.2
281.15448	2.0
283.16913	8.2
283.20059	1.5
293.18973	4.8
299.16376	1.9
301.18018	6.9
311.19998	7.7
329.21158	13.9
335.20197	1.6
339.19489	6.0
353.21103	9.8
357.20636	1.9
423.17950	1.5
423.28915	11.2
426.27896	1.4
441.24796	6.0
441.29938	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	441.3001
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.05509	4.2
57.07063	1.3
59.58370	0.6
61.19731	0.6
63.61307	0.5
67.05505	1.6
69.07074	5.8
71.08627	0.7
71.18210	0.6
79.05486	1.2
81.07056	6.0
83.08627	15.1
91.05475	1.4
93.07027	5.7
95.04955	1.1
95.08621	9.7
97.06525	0.9
97.10173	1.0
105.07028	3.6
107.08597	5.3
109.06526	1.5
109.10167	2.5
111.08074	6.1
111.11723	4.2
113.09640	3.1
119.08578	6.1
121.06514	2.9
121.10142	7.3
123.08044	3.0
123.11692	6.1
131.08582	5.1
133.10101	4.0
135.08095	1.5
135.11635	1.5
136.05412	0.7
137.05981	3.3
141.12798	0.7
143.08543	1.1
144.28195	0.6
145.10129	14.6
147.08041	4.0
147.11636	1.4
149.09579	1.1
149.13295	1.2
151.07552	0.6
151.11201	0.9
155.08636	1.0
157.10139	2.7
159.08075	1.4
159.11710	4.0
160.84520	0.6
161.09601	3.5
161.13243	2.6
163.11256	1.0
163.14825	2.5
169.10144	2.5
171.08064	3.3
171.11722	2.9
173.09630	7.8
173.13257	32.4
175.11203	1.6
175.14813	1.1
177.12788	0.9
179.14217	0.8
181.10123	1.1
182.10974	0.9
183.11652	3.9
185.09625	1.3
185.13287	1.5
187.11145	0.9
187.14798	0.9
189.09081	4.5
191.10703	7.6
191.14302	1.3
193.10217	0.7
195.11662	1.3
197.13264	7.1
199.11205	1.4
199.14691	0.9
201.09178	0.8
201.12767	3.7
203.14233	0.9
205.12273	0.7
207.10107	1.5
209.11694	3.9
209.13425	1.4
211.11224	0.8
211.14835	1.5
213.12755	1.6
215.14388	0.8
215.17859	5.0
221.13249	1.1
223.11122	0.8
223.14861	1.5
225.12709	4.3
227.14349	1.2
231.13800	2.7
233.19029	3.7
235.14696	0.9
237.12654	0.7
237.16273	0.9
239.14444	0.9
241.16016	0.8
247.14908	1.2
249.12711	0.8
249.14864	2.9
251.14424	0.9
253.15912	3.4
257.15463	0.9
263.12518	1.0
265.15942	3.6
265.19373	1.2
267.17694	0.6
267.21063	0.7
277.16104	0.7
283.16989	4.4
283.20441	1.1
293.18863	2.5
295.20609	0.8
299.16382	1.5
301.17960	6.5
303.19547	1.0
311.20041	7.9
321.18625	0.9
329.21039	10.8
331.22632	1.2
335.20117	2.4
339.19543	3.4
353.21164	13.1
354.21906	1.0
359.22250	0.9
367.22723	0.8
371.22290	2.5
388.37070	0.7
405.27798	0.9
423.28925	17.3
426.27805	1.0
441.30023	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	441.3003
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.05519	1.9
57.07075	2.0
62.99873	1.4
67.27933	1.2
69.07061	3.6
71.08590	1.7
79.05479	1.8
81.07048	6.6
83.08633	13.4
93.07018	3.1
95.08608	15.1
97.06490	1.5
105.06982	2.2
106.14468	1.4
107.08577	8.2
109.10136	2.8
111.08081	3.7
113.09634	9.5
121.06451	2.4
121.10120	2.7
123.11646	2.1
127.11216	1.9
131.08495	3.5
133.10085	3.0
143.08556	3.2
145.10097	7.7
145.19164	1.6
147.08047	5.6
147.11696	1.9
157.10115	2.5
159.08076	3.7
159.11632	8.3
161.09599	1.8
161.13164	1.7
171.11748	2.1
171.95964	1.6
173.09618	6.8
173.13219	3.4
175.11130	1.6
180.25993	1.7
180.86580	2.0
183.11650	2.0
185.09456	2.2
185.13220	1.5
187.11195	3.2
191.10657	5.7
197.13213	2.7
199.11143	1.6
201.12793	1.7
213.12727	1.8
213.16354	1.6
225.12704	2.3
225.16463	1.8
241.15692	1.7
253.15862	2.4
255.17406	2.7
265.19449	3.0
269.19101	1.7
271.48871	1.5
279.17334	1.6
283.16928	5.9
293.18948	2.3
300.17108	3.5
300.26154	6.6
301.18008	3.2
311.20041	12.9
329.21109	20.9
423.29077	7.0
441.22781	10.0
441.29950	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
52.71363	1.5
53.13634	1.3
55.05508	2.6
57.07073	2.2
67.05495	3.8
68.74128	1.4
69.07069	12.4
79.05488	3.5
79.57185	1.6
81.07058	22.5
83.08624	3.7
87.69453	1.7
91.05490	2.5
92.18524	1.9
93.07043	14.7
93.08521	1.4
95.08610	39.5
97.10162	7.0
105.07037	13.2
107.08591	27.8
109.10159	29.1
111.11687	6.9
119.07869	1.5
119.08579	16.6
121.10111	17.8
123.11678	15.2
125.09616	3.0
131.08559	2.1
133.10109	16.5
135.11676	9.7
137.13283	11.6
145.10081	2.6
147.11671	21.8
149.13242	10.0
151.14749	2.4
157.10109	2.1
159.11725	2.9
161.13300	11.7
163.14784	21.2
173.13269	5.8
175.14807	9.0
177.16403	12.7
187.14795	2.8
189.16367	6.7
191.17915	2.1
201.16368	7.2
203.17957	42.9
205.19524	2.0
207.91420	1.5
215.17915	3.0
217.19514	3.6
219.17424	17.1
221.18965	21.8
229.19603	3.1
241.19446	1.8
247.20596	1.6
253.19394	2.6
255.20940	1.6
256.21475	1.6
303.12006	1.7
309.25702	2.0
393.34866	2.2
405.35175	6.3
411.36047	6.3
423.36203	20.3
441.37244	100.0
441.43323	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	442.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16704	0.5
52.51549	0.7
56.05085	0.6
74.89264	0.6
87.70782	0.7
96.08110	0.7
107.04956	6.5
110.06006	1.2
120.85158	0.7
124.07586	18.9
133.95340	0.7
138.09161	2.6
140.27763	0.7
145.16017	0.7
166.08630	1.7
183.23933	0.7
206.04770	0.8
217.09692	11.9
235.10716	5.9
243.07649	0.8
259.10797	22.0
261.05917	1.4
261.08710	40.1
261.11340	1.3
273.12271	1.4
277.11826	19.9
285.08624	7.6
303.09756	100.0
305.10349	1.1
382.17511	0.9
400.18716	1.4
424.18454	0.9
433.42227	0.8
442.19702	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90881	1.5
53.91847	1.9
54.03023	1.5
57.03453	13.4
59.04999	4.4
61.02930	2.4
69.03429	56.2
73.02885	2.2
73.65914	1.5
81.03429	4.0
85.02902	100.0
87.04462	50.6
88.01964	1.8
91.03925	2.3
97.02263	3.0
97.02887	74.0
99.04479	1.7
109.02856	3.7
115.03922	80.4
120.86951	1.8
127.03877	22.2
133.04961	59.0
145.04967	37.4
150.07603	3.7
163.06015	16.3
169.04948	2.5
171.73695	2.0
195.56822	1.8
246.95573	1.8
259.08078	3.9
277.09076	2.5
293.19647	2.8
295.10297	9.7
442.30405	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	442.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51161	94.6
65.74026	86.9
70.02155	81.5
78.67822	76.3
79.89291	71.1
92.81203	89.9
101.10597	78.0
132.17024	78.1
160.91962	100.0
176.08109	80.0
332.62524	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.4
57.03434	1.1
57.07071	1.4
67.05498	6.9
69.03412	4.0
69.07071	3.8
71.04980	1.7
72.08144	4.3
79.05428	1.1
81.03446	0.9
81.07048	4.9
83.04950	1.3
85.02894	8.4
85.06542	29.1
85.49939	0.7
86.09708	1.0
91.05457	3.8
92.18451	1.3
93.07028	5.3
95.04959	2.3
95.08601	5.9
97.02901	1.5
97.06554	1.5
105.07023	5.2
107.08582	5.9
109.06518	2.2
109.10147	4.6
112.25994	1.0
113.05994	9.7
116.07098	1.5
119.08553	9.2
121.06470	4.7
121.10130	6.2
123.08040	1.9
127.03925	1.5
131.08548	5.1
133.10147	4.4
135.08060	3.9
135.11655	1.4
137.09637	6.5
142.05649	1.1
143.08528	2.0
145.10150	7.5
147.08041	4.9
147.11667	2.1
155.08560	1.1
157.10085	2.0
158.97478	1.2
159.08078	1.3
159.11665	4.4
161.09612	2.2
161.13217	1.5
163.11209	1.5
171.08034	1.6
171.11751	1.7
171.19052	0.9
173.09641	10.1
173.13185	6.9
175.11188	1.8
179.01529	0.9
183.11736	1.2
187.11125	1.5
187.14867	1.2
189.09068	1.7
191.10625	11.4
191.14401	1.1
195.01031	2.1
195.11876	1.0
197.13347	2.0
199.11169	1.7
201.12503	2.0
203.05110	1.2
205.12389	1.1
207.01085	0.9
207.04669	1.9
209.02602	4.0
209.11591	1.3
209.13341	1.6
211.04144	1.9
211.14780	1.9
213.02048	1.7
213.12730	2.3
214.11801	1.2
215.14401	1.5
217.15842	1.9
221.02635	5.2
223.11053	1.5
225.12782	5.7
227.14397	1.3
229.11929	1.2
231.04715	1.5
231.13866	4.7
233.06171	13.9
234.98991	5.1
235.03993	1.3
235.14886	1.2
235.17111	1.4
237.02078	1.1
237.05797	4.2
237.16418	1.6
247.04118	1.5
249.05717	52.5
249.14732	2.1
251.07274	100.0
253.05203	1.2
255.17416	1.4
263.07257	4.9
263.13947	1.0
263.16437	6.3
265.05081	9.2
265.15863	2.2
267.06717	17.1
267.17624	1.3
269.08368	13.9
281.08301	71.4
281.17590	3.8
283.06122	1.5
283.16995	5.5
299.09375	12.4
299.16458	1.7
301.17944	14.1
302.18976	1.1
311.20087	1.5
313.21448	1.8
323.09543	1.3
328.20544	1.4
329.21237	2.0
331.22702	1.6
349.21594	1.5
353.21170	1.8
367.22498	1.1
385.23923	1.6
389.24844	1.6
397.19437	6.2
397.40408	1.1
407.25668	9.4
414.31656	1.1
425.12497	7.5
425.26944	13.2
443.13654	90.6
443.19409	11.4
443.27829	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76152	0.6
53.39154	0.5
57.24100	0.5
68.85220	0.6
69.03423	0.9
78.51136	0.6
81.04553	7.2
82.05318	0.6
85.02892	1.5
97.02903	1.5
106.36428	0.7
122.07146	100.0
123.07931	57.4
139.03902	8.9
151.03934	1.4
160.04228	1.1
165.07718	3.4
179.03487	1.0
191.03366	0.9
203.03282	1.1
233.04477	0.8
257.04398	2.6
272.83014	0.7
275.05563	0.9
281.10657	42.2
287.05554	3.5
299.05420	1.3
317.06415	1.2
425.08682	1.3
443.15964	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74434	4.0
53.03940	4.6
60.27552	4.1
69.07074	7.9
81.03429	53.1
85.15393	4.1
97.02878	66.2
103.07591	5.0
105.07014	8.0
109.45486	4.3
119.04893	6.2
121.06564	5.5
123.04445	6.0
124.03946	5.3
129.06967	5.2
131.04901	61.5
133.02832	10.9
133.06483	10.8
137.05980	100.0
143.08527	9.3
145.06532	8.6
147.04385	41.6
149.05977	46.0
150.06784	20.0
151.07539	10.6
157.06477	7.2
159.08080	6.7
161.06006	55.0
162.06737	96.2
163.07512	51.3
169.06497	5.1
171.07956	6.2
173.05927	9.5
175.07533	25.3
177.05484	24.6
179.06992	9.0
187.07513	23.7
189.05414	5.7
193.08530	6.8
199.07382	5.9
201.08983	5.0
203.07008	9.4
205.08585	6.1
211.07497	7.2
215.06993	8.8
217.08553	8.5
229.08389	6.6
241.08592	6.4
245.08011	7.2
263.09064	9.4
265.08835	6.1
285.11142	17.6
289.10770	8.2
297.11288	45.7
309.11176	6.2
311.12842	7.8
315.12247	5.2
321.11514	5.7
323.12918	5.8
341.13885	5.5
363.12482	5.4
407.15067	6.9
413.16281	7.0
425.16006	24.3
443.17642	61.5
443.28146	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	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90614	2.8
76.47354	3.0
78.11702	3.3
81.03431	37.6
88.58076	3.4
90.91142	3.0
91.05452	12.7
95.08604	5.1
97.02904	54.1
105.07018	7.9
107.04944	4.5
113.06001	6.6
117.06986	3.2
119.04865	4.5
121.06524	5.3
128.06261	4.4
130.04134	6.8
131.04915	53.8
131.08562	5.2
133.06485	16.9
137.05974	100.0
143.08577	4.7
145.06474	15.6
145.10124	4.9
147.04376	35.0
147.08025	6.8
149.06003	27.3
150.06757	17.1
151.03851	5.6
151.07556	15.5
157.06490	7.4
159.08209	5.1
161.05969	72.1
162.06760	97.5
163.07527	47.0
173.05991	16.5
175.07509	20.9
177.05441	22.6
179.07065	26.2
183.11703	3.9
185.05969	13.3
187.07513	17.9
187.09007	3.3
189.05444	3.7
191.06981	3.7
193.08556	6.1
199.07576	7.5
203.06999	6.1
211.07597	4.0
217.08566	15.6
227.07010	5.1
239.18056	7.0
245.08058	6.3
258.69019	3.2
263.09091	6.6
268.15247	3.3
271.09555	7.6
285.11151	20.1
289.10748	7.3
297.11218	45.4
309.11020	4.2
311.12762	6.1
315.12411	4.5
317.14017	4.7
321.11191	13.6
323.12726	7.7
341.14053	5.0
365.13531	5.1
381.13376	7.8
407.14832	7.3
413.15799	6.7
425.15967	19.2
443.12622	45.9
443.18314	7.0
443.31589	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32815	0.5
53.55396	0.6
61.01138	2.8
67.74421	0.7
70.06607	1.0
72.04506	2.9
77.42392	0.7
78.03786	13.8
86.09702	5.0
88.02206	1.8
89.38702	0.7
95.04959	3.1
99.05580	1.7
99.78558	0.8
102.03760	24.3
114.03748	1.4
120.04794	3.2
123.04414	47.0
128.10696	1.5
131.06377	18.9
132.04782	10.3
142.08643	1.4
147.04445	0.9
149.07430	100.0
159.05855	1.7
165.05472	14.2
175.11885	1.3
184.09700	1.8
243.11658	1.3
261.12659	16.5
313.12146	34.7
380.50833	1.0
425.17389	23.1
425.22644	1.4
443.17017	1.5
443.29773	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	443.1889
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
50.32887	0.5
77.63078	0.7
113.76339	0.6
115.19244	0.7
137.16530	0.7
168.64781	0.9
312.71558	0.8
333.07919	4.6
403.34781	0.8
439.95099	0.9
443.18851	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	443.1889
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
50.32887	0.5
77.63078	0.7
113.76339	0.6
115.19244	0.7
137.16530	0.7
168.64781	0.9
312.71558	0.8
333.07919	4.6
403.34781	0.8
439.95099	0.9
443.18851	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	443.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88089	1.3
55.05523	11.9
57.03434	3.5
59.04997	6.8
65.83373	1.4
69.03436	20.5
69.07066	18.3
71.04993	1.9
81.03410	7.9
83.08163	3.0
83.08623	56.8
85.02921	11.1
87.04434	2.7
87.08104	12.8
92.17829	1.5
93.07027	2.4
97.02893	3.3
99.04427	14.1
101.06042	2.3
109.02888	12.3
111.08085	24.2
115.03848	2.2
117.05495	8.0
127.03914	14.6
129.05478	19.5
129.09116	100.0
135.06496	3.5
137.09715	1.6
139.03926	3.2
145.04993	1.6
147.06606	1.9
153.07613	15.5
169.78217	1.4
191.03438	3.1
237.11226	9.7
255.12242	13.5
257.04352	2.3
263.12598	3.4
263.16458	2.1
273.13394	3.5
291.14398	2.9
425.08566	2.5
443.18793	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	443.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62692	0.4
81.07075	0.8
83.01101	0.7
92.23422	0.6
93.07069	0.8
95.08581	1.1
105.07013	0.9
107.08589	3.7
117.07002	0.6
133.10187	0.7
135.08044	24.2
138.75726	0.6
147.11694	0.7
161.09663	0.8
175.05484	0.5
211.11508	0.5
220.69870	0.6
319.92911	0.7
323.19629	1.1
383.21915	21.7
443.24011	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	443.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.8
69.07040	4.8
79.05531	4.4
81.07079	5.6
91.05473	16.5
93.07025	30.4
95.08605	6.7
103.62282	3.5
105.07019	17.0
107.08586	8.8
110.86733	3.6
114.56644	3.7
119.08562	20.0
121.06441	4.8
129.07050	5.4
129.46320	3.6
131.08490	13.3
133.10115	16.1
135.08035	14.5
143.08566	15.9
145.10152	5.5
148.87189	4.2
155.08553	21.1
157.10133	6.3
161.09563	6.0
165.06985	8.0
167.08583	6.8
169.10138	9.4
171.11678	7.8
179.08507	14.6
181.10115	21.9
183.11676	22.0
192.09390	21.8
193.10129	30.0
195.11674	18.7
197.13298	4.4
198.00993	4.9
199.11244	4.7
205.10071	7.2
206.10893	23.4
207.11674	47.5
208.12476	15.7
209.13283	18.2
211.14655	5.2
219.11688	16.1
220.12405	6.9
221.13220	51.7
223.14890	8.0
233.13292	17.1
235.14825	5.7
248.15561	15.9
253.19322	7.5
263.17899	100.0
281.19022	39.6
323.20120	41.4
344.78339	4.6
383.22113	7.7
443.24268	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	443.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56634	2.3
55.05513	3.0
55.72120	2.5
61.01871	2.6
69.07059	17.2
81.07084	4.0
83.04957	3.8
83.08661	3.4
87.61508	2.8
91.05440	4.8
93.07011	6.5
95.08598	6.9
97.06544	24.5
105.07069	11.1
107.08612	17.4
109.06520	5.2
109.10149	13.3
119.08585	96.1
119.88773	2.6
121.10134	6.8
123.08050	4.3
124.10856	2.7
125.09631	7.0
131.08548	16.0
133.10115	15.5
135.08131	3.5
137.09595	7.1
143.08589	11.0
145.10141	38.2
147.08049	3.2
149.09644	4.6
155.08540	15.0
157.10141	22.2
157.34145	2.8
159.11710	16.2
161.09727	4.2
169.10127	34.6
171.11687	18.5
173.09624	17.2
173.13237	20.5
181.10185	3.4
183.11691	38.6
185.13321	4.9
187.11201	6.3
193.10100	6.4
195.11647	4.7
197.13251	14.0
206.10973	4.6
207.11679	6.4
209.13260	5.0
210.10413	3.4
211.11125	6.0
211.14838	13.5
220.12473	4.1
221.13272	12.9
223.14854	4.2
224.11966	4.0
225.12808	12.3
233.13213	3.6
237.16475	4.7
239.14377	10.9
239.18030	5.2
253.19498	5.4
263.17920	28.0
281.19012	100.0
282.19366	12.1
299.20001	42.9
323.20258	3.9
341.21262	26.3
401.23224	17.7
402.23941	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	443.2427
Annotation	Communesin E
Peak:m/z	Relative Intensity
53.76868	2.9
57.07074	4.6
67.05511	3.2
69.07056	7.9
72.87211	3.7
81.07045	13.5
93.07030	7.2
95.08591	16.4
97.06517	17.7
103.56105	3.8
105.07026	15.9
107.08575	12.9
109.10155	28.9
117.07011	7.2
119.08617	31.1
121.10111	16.6
123.08060	3.3
126.05238	3.9
131.08571	24.4
133.10098	31.4
137.09552	4.9
143.08583	7.6
145.10089	44.3
147.11725	6.3
149.09612	5.1
155.08531	8.1
157.10117	18.3
159.11649	12.8
161.09610	38.5
169.10121	7.0
171.11705	16.3
173.13242	56.1
177.41557	3.2
179.10620	11.8
181.10062	4.7
183.11700	14.2
185.13309	5.7
187.11159	4.8
189.12733	4.2
193.10027	5.6
195.11670	6.5
197.13277	19.7
199.11308	5.6
201.12733	7.9
207.11742	16.0
209.13229	5.6
211.11237	5.2
211.14780	6.4
213.12680	3.8
221.13255	14.7
223.14731	4.7
225.16441	6.4
237.16182	4.4
239.14343	5.5
239.17889	12.3
253.15686	5.9
253.19307	27.0
263.17926	35.3
281.18958	67.9
295.20462	3.4
297.45135	3.9
299.20093	32.4
323.19922	3.7
341.21066	42.3
359.22198	56.3
383.22122	5.6
401.23172	100.0
443.24127	23.1
443.30405	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	443.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
55.64037	2.4
65.97831	2.7
67.05502	6.3
69.07087	8.3
79.05487	5.5
81.07055	13.3
83.08632	4.2
91.05444	4.6
93.07032	17.7
95.08610	12.0
97.06519	25.4
99.58405	3.1
105.07020	14.4
107.08612	20.7
109.06519	10.8
109.10150	6.4
111.08064	3.7
115.61063	3.0
117.07022	5.2
119.08576	100.0
120.01681	2.7
121.10123	5.7
123.08055	6.8
125.09624	11.2
131.08572	16.4
133.10162	10.7
135.08052	5.2
137.09625	6.0
142.07741	3.2
143.08557	14.3
145.10135	36.3
147.11668	4.2
149.09592	11.8
155.08525	5.9
157.10081	26.5
159.11711	17.1
161.09586	3.6
163.11234	3.1
168.09311	4.3
169.10106	35.1
171.11697	14.0
172.12627	3.1
173.09644	17.6
173.13242	11.7
175.11128	4.7
181.10138	5.7
183.11716	43.2
185.13303	3.3
187.11156	5.3
189.12740	3.2
193.10146	4.4
195.11757	10.8
196.69614	2.8
197.09641	3.8
197.13332	12.9
201.12645	3.8
207.11650	6.5
208.12482	4.0
209.13158	7.1
211.11142	11.3
211.14854	12.0
221.13274	6.0
223.14743	4.9
225.12663	12.4
233.13150	4.1
237.16389	5.4
238.13303	3.2
239.14290	11.8
239.17838	11.3
248.15694	3.3
253.19415	6.8
263.17886	23.3
277.59833	3.1
281.18994	97.2
299.20044	61.0
314.78723	3.3
341.21036	33.4
401.23111	19.7
402.23273	5.4
443.29929	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	443.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74956	2.9
51.81361	2.8
57.58054	2.8
65.35896	3.4
67.05510	4.5
69.07071	15.2
75.30796	3.3
77.00792	3.2
79.05484	5.5
81.07054	12.5
91.05481	4.9
93.07037	7.1
93.67414	3.0
95.08601	16.5
97.06512	20.6
97.10147	3.2
105.07019	16.7
107.08587	16.5
109.06475	3.8
109.10146	15.9
117.06969	4.2
119.08574	100.0
121.10074	4.4
123.08022	5.3
123.11672	3.7
125.09655	6.1
131.08568	19.0
133.10112	16.2
135.08069	5.2
135.11714	4.4
143.08553	5.4
145.10120	40.0
147.11681	7.1
149.09688	6.4
155.08621	5.7
157.10091	19.4
159.11667	14.4
169.10152	26.9
171.11743	21.2
173.09685	11.7
173.13274	5.4
175.11139	4.6
181.10042	4.4
183.11665	42.9
185.13344	4.1
187.10997	3.8
195.11742	7.8
197.13232	14.3
206.10921	4.0
207.11748	6.2
221.13290	14.2
223.14764	5.9
225.12706	4.2
237.16628	3.8
239.14389	6.1
239.17937	7.6
253.19516	6.5
263.18039	18.0
281.18970	93.0
282.19220	5.5
299.19977	39.1
341.21088	19.7
401.23303	14.2
402.23502	4.7
443.34845	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	443.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66432	2.8
55.05518	8.5
57.07068	4.5
58.18566	3.1
62.09237	3.0
67.48799	3.2
69.07049	18.9
81.07056	14.6
83.08609	15.5
85.06539	3.0
85.07188	4.1
89.53365	3.7
91.05451	3.5
93.07019	13.4
93.79269	3.2
95.08594	19.9
97.06544	25.8
98.86952	3.6
105.07008	21.1
107.08578	20.9
109.10157	6.2
111.08061	5.1
117.05510	4.3
117.06999	4.5
119.08569	100.0
121.10130	17.5
123.08067	3.9
125.09612	16.7
129.06978	4.2
131.08580	18.5
133.06589	3.9
133.10086	6.9
135.08041	5.7
135.11699	5.4
137.09627	7.6
143.08574	15.8
145.10104	44.0
147.11618	6.2
149.09651	6.7
155.08472	7.7
157.10098	26.9
159.11700	25.8
169.10086	30.1
171.11687	19.7
173.09560	8.6
173.13252	19.1
181.10280	5.4
183.11641	49.4
184.11966	4.7
187.11053	8.5
193.10141	5.3
195.11607	5.0
197.13196	16.5
198.13609	4.7
207.11731	4.2
209.13303	7.6
211.11295	4.9
211.14827	6.3
221.13339	15.7
223.14748	6.4
225.12735	8.4
237.16380	5.3
239.14262	19.2
239.17918	5.8
248.11092	4.0
248.15558	4.5
253.19463	16.3
263.18060	16.4
266.16422	4.0
281.18979	94.0
282.19360	22.7
299.19919	43.0
301.28519	3.8
323.20193	4.4
341.21103	21.7
342.21432	4.3
377.06107	3.7
401.23270	25.2
402.23392	13.8
443.34964	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	443.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.9
57.07084	12.3
80.64696	7.7
81.07088	8.6
83.08616	13.6
89.56357	7.6
91.05470	34.0
93.07047	43.1
95.04973	16.1
95.08607	33.4
97.06525	7.8
105.07037	55.4
107.08566	26.6
109.06538	14.1
109.10149	28.7
115.09258	7.6
119.08555	100.0
121.10143	11.5
129.06975	10.2
131.08519	38.4
133.06541	7.5
133.10104	52.5
134.51895	8.3
141.07056	7.2
143.08543	45.5
145.10110	60.9
147.11575	23.0
155.08557	38.0
157.10101	47.0
161.09595	12.5
169.10094	31.5
171.11678	28.4
173.13380	7.8
175.11121	10.9
179.08536	8.7
181.10123	13.7
183.11694	43.8
185.13269	12.4
186.82846	8.4
187.14851	9.6
192.09377	9.5
193.10152	11.0
195.11740	12.5
197.13152	23.1
207.11639	15.6
220.12393	11.2
221.13254	15.9
223.14645	25.0
225.12704	10.7
233.13290	10.7
237.16389	8.9
248.15720	12.7
253.19594	11.8
263.18057	72.0
265.19513	11.2
281.19037	89.8
299.20016	34.4
323.20081	16.7
341.21204	15.0
364.95734	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	443.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05525	4.2
57.03437	3.9
57.06825	3.7
57.07080	79.3
58.08674	2.0
62.13879	2.2
67.05492	8.8
69.07076	19.0
69.09496	2.2
69.09871	2.4
70.36325	2.0
79.05481	9.1
80.27531	2.1
81.07057	51.3
83.04989	2.4
83.08616	9.6
91.05458	9.3
93.07036	17.8
95.08592	12.8
97.06532	2.6
97.10161	2.8
105.07019	19.6
107.08586	26.3
109.06506	19.8
109.10156	12.1
117.05465	3.9
117.07041	3.3
119.08558	18.7
119.34646	2.1
121.06478	3.0
121.10131	13.8
125.09628	10.7
126.54260	2.3
127.38116	2.6
128.30392	2.6
129.07034	4.4
131.08551	23.8
133.06459	2.5
133.10139	21.0
135.08040	8.8
135.11679	2.9
136.79156	2.1
137.09586	3.1
142.07817	3.4
143.08553	19.3
145.10103	42.0
147.11699	10.6
149.09744	3.0
155.08508	18.4
157.10127	20.5
159.11668	25.8
161.09566	22.0
163.10965	2.3
165.09016	3.0
167.08531	2.7
169.10127	20.6
171.11671	15.3
173.09599	4.7
173.13239	10.6
175.11166	3.8
177.09178	2.7
179.08540	5.2
181.10094	17.5
183.11635	20.2
185.09659	2.7
185.13290	9.5
187.11240	3.6
191.62187	2.4
192.09311	3.0
193.10161	10.0
195.11655	10.5
196.12418	3.0
197.09579	2.5
197.13286	22.1
199.11160	4.4
199.14804	3.2
206.10950	4.3
207.11671	14.7
209.13274	5.5
211.11168	4.1
211.14735	17.6
213.12732	3.3
219.11609	4.8
221.13237	23.9
223.14769	14.5
225.12740	9.1
225.16493	2.6
227.14212	2.8
233.13033	16.8
234.14091	3.5
235.14853	3.0
237.16360	4.7
239.14226	9.5
239.18054	2.4
241.15802	4.0
248.15590	11.9
253.15833	2.4
253.19470	13.0
263.17914	31.3
266.16614	5.5
271.20633	4.3
279.89648	2.7
281.18982	100.0
299.20059	33.3
341.20953	3.9
443.27585	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93481	4.4
53.79150	4.1
55.05516	11.9
58.24684	4.0
58.66249	5.2
59.98590	4.4
65.78315	5.5
67.05488	9.6
69.89825	4.5
77.38527	5.4
79.05474	5.7
80.48050	5.0
81.07043	9.9
83.04987	51.3
91.05479	10.4
93.07051	12.7
95.04955	20.8
95.08604	48.7
101.06037	18.1
105.07012	26.9
107.08590	30.4
109.06535	5.3
109.10140	23.9
117.07048	6.7
119.08587	74.6
121.10116	9.3
129.07025	8.2
131.08525	5.8
133.10130	100.0
135.08075	6.1
143.07033	10.5
143.08557	23.2
145.10159	56.7
147.11652	20.9
155.08572	12.7
157.10091	12.2
159.11647	7.1
163.11166	10.6
167.08580	8.8
169.10063	22.2
171.11661	19.2
179.08589	7.0
181.10139	23.9
183.11655	31.1
185.13275	7.5
189.12729	8.2
195.11716	31.0
197.13292	10.7
209.13239	51.2
223.14810	38.1
239.18048	5.9
250.17317	6.3
256.39359	5.2
257.98254	5.3
265.19510	36.3
283.20505	34.7
334.65042	5.8
341.68533	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	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21858	2.7
51.61637	2.8
55.05517	4.7
57.01865	3.0
62.10238	3.3
63.89350	3.3
67.05495	16.1
69.03430	5.9
70.82899	3.3
79.05498	4.8
81.07047	21.5
83.04997	27.9
91.05468	6.2
93.07040	39.3
95.04949	8.3
95.08582	35.9
105.07013	33.9
107.08598	28.9
109.10152	14.0
117.07012	14.9
119.08559	54.5
121.10175	18.1
129.06973	4.1
131.08582	22.1
133.10124	65.4
135.08044	17.9
135.11676	4.7
143.08582	33.6
145.10112	92.7
147.11717	16.4
155.08528	15.5
157.10100	16.7
159.11678	26.6
161.09599	19.0
163.11090	5.3
167.08557	5.8
169.10033	5.9
171.11642	20.7
172.94551	3.2
173.13202	6.0
179.08600	5.3
180.09222	3.7
181.10091	20.7
183.11607	14.3
185.13280	6.2
194.10910	15.2
195.11696	27.6
197.13277	7.0
208.12474	6.0
209.13239	36.6
223.14780	24.2
227.14122	3.6
237.16359	4.2
265.19458	100.0
283.20529	21.8
291.25748	3.5
443.27884	13.9
461.80969	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	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11611	0.6
60.05660	8.2
62.07961	0.7
69.07079	5.3
70.06591	12.1
72.08154	0.8
84.15765	0.7
85.02866	0.8
86.09705	100.0
87.93520	0.9
94.95328	0.7
112.08698	3.8
114.10262	0.7
115.08675	7.0
116.07092	8.3
128.10712	25.6
128.11691	1.0
130.09758	4.2
131.37248	0.7
133.22881	0.7
156.10196	1.9
156.11311	12.1
158.09230	11.8
175.11893	24.5
183.94118	0.8
226.57101	0.7
269.26703	0.7
271.17581	5.9
394.74872	0.7
443.17743	4.6
443.29742	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3157
Annotation	Paxisterol
Peak:m/z	Relative Intensity
55.05513	4.5
57.07097	1.7
67.05510	3.8
69.07065	9.2
79.05505	2.1
81.07052	9.7
83.08620	16.2
93.07059	9.2
95.08602	14.8
97.10155	6.1
105.07033	9.5
107.08591	14.6
109.10138	9.8
111.08067	2.1
111.57343	1.2
115.64868	1.1
119.08559	7.2
121.06502	1.2
121.10129	6.7
123.04446	1.5
123.08031	4.4
123.11681	13.4
131.08533	1.9
133.10135	5.5
135.08022	2.0
135.11649	3.9
141.12733	2.1
143.08583	1.9
145.10107	9.6
147.08054	2.7
147.11664	7.1
149.09593	1.6
149.13242	1.4
155.08566	1.6
157.10143	5.0
159.11676	5.5
161.09653	1.8
161.13287	1.5
171.08078	1.6
171.11694	1.7
173.09634	5.7
173.13234	2.7
175.11171	1.5
175.14848	6.7
183.11574	2.1
185.13182	4.8
187.11140	2.4
189.09055	2.0
191.10693	5.6
193.15839	1.7
195.11688	1.5
197.13351	1.9
199.11111	2.3
199.14806	8.0
205.12244	1.4
209.13332	1.5
211.14850	1.5
213.12753	2.7
215.14429	2.3
223.14850	1.5
225.12686	2.2
227.14450	2.2
231.13824	5.0
233.15326	2.2
235.14827	1.3
237.16415	1.6
243.44209	1.2
249.14796	5.3
253.16014	1.4
255.17142	1.5
265.15924	1.3
269.15436	1.2
283.16852	6.7
301.17953	39.6
309.22192	1.2
313.18106	1.7
327.19620	1.7
328.20309	4.7
337.21704	7.0
341.21106	11.2
355.22601	19.1
382.40750	1.1
407.29556	2.1
410.28305	1.8
425.30411	26.5
428.29346	2.8
443.31564	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	444.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38584	0.4
50.87752	0.4
53.03962	0.7
57.03435	2.1
57.22218	0.4
69.03430	9.2
70.06612	0.5
71.04994	0.9
73.02902	0.8
78.03458	2.7
79.10048	0.5
81.03419	14.0
83.08627	1.2
85.02911	10.6
87.04446	0.5
90.67274	0.5
95.01328	18.9
96.04499	0.6
97.02918	5.4
99.04453	3.9
106.02916	37.0
109.02882	12.2
113.02348	2.5
124.03949	100.0
127.03896	4.8
129.01813	4.3
129.09138	2.6
130.09464	0.9
139.03902	2.3
141.01825	9.7
177.03920	4.6
189.61269	0.5
215.76660	0.5
250.07104	6.6
264.16940	0.7
268.08145	63.6
288.12204	1.2
306.13229	1.3
444.11298	45.3
444.18262	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	444.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16774	0.6
53.50039	0.6
55.01876	0.8
57.03444	1.0
59.93708	0.7
61.02921	1.4
69.03419	6.9
69.03735	0.7
70.06586	1.1
71.04974	0.9
73.02913	1.7
81.03420	1.8
85.02902	20.2
85.06552	1.3
87.04460	0.9
96.45118	0.8
97.02878	6.8
99.04440	1.6
101.95196	0.8
107.04931	8.5
109.02878	3.1
122.05947	1.3
124.03941	0.7
127.03882	5.5
133.05209	0.8
135.04402	1.6
137.05965	1.1
145.04956	4.6
145.06476	4.0
147.04384	6.6
149.05997	6.8
149.07025	0.8
150.05476	5.7
152.04221	0.9
153.53186	0.7
161.02263	1.1
161.05983	3.1
173.05959	6.2
175.03949	1.7
177.05470	12.9
178.04982	10.0
185.05888	2.7
187.03944	1.7
189.05428	1.8
192.06557	1.5
201.05472	12.1
204.06577	10.0
205.04933	7.4
209.07988	1.3
219.06509	4.0
222.07637	1.2
229.04900	5.4
229.10748	1.1
237.03050	0.8
237.07532	1.5
246.07547	1.5
247.06329	1.3
256.06882	1.1
264.08615	3.4
265.06982	1.4
282.09692	100.0
444.14676	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	444.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	3.4
59.05002	20.5
69.03449	5.2
71.11397	1.5
85.02898	6.7
85.06554	13.9
94.77398	1.4
97.02888	3.2
101.06020	16.1
109.02882	2.1
115.03921	3.3
127.03922	8.6
129.05475	100.0
147.06502	10.0
229.10779	1.8
247.11728	13.1
270.66339	1.7
273.09689	2.7
291.10651	14.3
293.77429	1.8
314.95041	1.5
391.16052	3.1
409.16858	6.4
444.18167	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	444.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25655	2.0
55.97692	2.3
57.27051	2.4
69.03405	4.1
70.55512	2.2
77.05917	2.2
83.04964	4.7
85.02930	3.3
85.06530	2.9
106.60909	2.2
107.08650	2.8
109.02892	10.8
112.05463	2.4
121.06481	16.4
124.03020	3.2
131.08455	3.3
135.08072	25.3
137.05972	5.0
145.06529	3.1
145.10188	2.9
147.07980	4.5
149.05994	3.3
149.09602	6.1
159.11710	5.9
163.06328	2.3
163.07489	20.5
163.11166	2.8
173.09602	5.2
173.13254	23.5
183.11804	2.6
185.13275	3.2
187.11176	54.4
191.06996	9.8
201.12730	45.1
203.10631	3.1
205.12247	14.9
209.07962	2.4
211.11299	2.9
219.13773	12.6
229.12244	44.7
247.13264	100.0
265.14325	30.4
282.14798	4.0
426.20227	9.6
427.76581	2.8
444.13754	2.9
444.20706	16.6
444.27655	4.0
446.46527	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	445.1858
Annotation	Aglacin D
Peak:m/z	Relative Intensity
57.03417	0.8
66.13670	0.9
67.05485	1.2
79.05469	1.5
81.07019	1.6
82.72579	0.9
85.02878	2.1
91.05453	4.2
92.17872	2.2
93.07011	2.5
93.10696	1.1
95.04963	4.1
95.08607	1.8
97.06522	1.5
105.07027	8.6
105.46914	1.2
107.08572	1.6
109.06516	13.0
117.06994	8.3
119.04945	6.5
119.08540	1.5
121.06480	4.6
123.04408	9.5
125.05964	2.1
128.06250	1.1
129.06992	4.2
131.02524	1.0
131.04869	2.0
131.08574	6.1
133.06471	4.3
134.74190	1.0
135.08035	1.7
137.06018	5.0
139.07552	1.1
141.07005	1.4
143.08589	5.8
145.06465	4.6
147.08073	5.0
149.05975	2.1
151.07530	1.3
155.08562	5.8
157.10150	2.0
159.08012	5.5
161.05923	1.2
163.07487	3.9
167.08617	1.9
169.10115	1.7
171.08054	4.9
171.11658	1.1
173.09676	1.8
175.07596	1.6
179.08595	1.0
180.09390	1.3
181.10078	5.6
183.08017	1.2
185.09615	2.2
187.07506	1.8
192.09338	1.5
193.10127	2.5
194.11040	1.1
195.11737	7.1
197.09595	2.3
197.13303	1.6
199.11267	1.9
201.09030	1.7
203.08539	1.6
207.11717	4.9
209.09669	1.5
209.13222	2.3
210.10396	1.3
211.11195	4.5
218.10872	1.4
219.11790	2.1
222.10402	1.3
223.11107	3.9
225.12737	4.1
227.10776	1.2
235.11041	1.6
237.12761	8.1
241.12312	7.2
251.14281	1.7
253.12257	4.3
255.13860	1.3
261.12851	1.3
265.12189	5.4
279.13834	1.6
295.13095	1.4
297.14990	1.2
301.14688	1.1
313.14307	32.2
325.14307	8.0
326.55310	1.0
337.60904	1.2
343.15320	6.5
385.16339	6.9
402.37595	1.0
445.18555	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	445.1858
Annotation	Aglacin D
Peak:m/z	Relative Intensity
51.16596	0.8
56.25042	0.9
65.40552	0.9
72.62933	0.9
73.04826	1.0
79.05490	2.3
81.07033	1.3
91.05430	1.3
93.07047	1.6
95.04952	2.5
97.06499	2.2
102.09726	1.0
105.07030	8.9
109.06519	15.4
113.06018	1.2
117.07024	9.6
119.04925	5.0
121.06483	4.5
123.04420	9.8
123.08090	1.6
125.05989	1.3
128.06261	1.4
129.06970	4.4
131.08546	4.1
133.06461	4.6
135.08006	1.9
135.53893	1.2
136.81749	1.1
137.05980	4.2
139.07518	1.2
143.08542	5.1
145.06464	5.3
147.08078	4.5
149.06012	1.8
151.07524	1.4
155.08536	5.3
157.06433	2.3
157.10098	1.4
159.08037	5.2
161.05934	1.9
163.07524	7.5
165.07045	1.3
167.08549	1.8
169.06519	1.4
171.08020	2.5
171.11604	2.2
173.09584	2.5
175.07536	2.5
177.09082	1.4
179.08627	1.3
181.10117	5.2
183.08121	2.2
183.11716	2.4
185.05997	1.6
185.09721	1.2
187.07574	1.9
192.09357	1.5
193.10152	4.3
194.11028	1.4
195.08138	1.0
195.11685	5.9
197.13219	1.7
199.11139	1.4
201.09068	2.0
203.06868	1.0
204.09357	1.6
207.11728	5.2
209.09604	4.0
209.13298	2.5
210.10321	1.4
211.11203	2.6
213.09149	1.5
213.12683	1.4
214.63020	1.0
217.10098	1.2
219.11769	2.1
221.09584	1.6
222.10516	1.2
223.11234	6.0
225.12817	5.5
229.12225	1.8
233.13202	1.7
235.11255	2.0
236.11902	1.2
237.12712	4.7
239.10660	1.2
239.14554	1.2
241.12256	5.8
253.12303	4.3
255.13701	1.1
265.12259	4.3
279.13705	1.4
283.13309	1.6
297.14981	1.4
306.44485	1.1
307.13089	1.4
313.14313	37.5
313.17731	1.9
325.14346	7.9
343.15286	8.8
345.89688	1.0
385.16528	6.0
445.18552	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	445.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.1
57.07073	1.4
57.81095	0.7
59.04981	0.7
60.12370	0.9
69.03426	8.9
71.05006	1.4
72.51326	0.8
73.02933	1.1
81.03429	2.9
83.04969	1.3
84.08145	13.8
84.40915	0.7
85.02914	9.8
85.06546	16.5
87.04450	1.6
89.06025	1.0
95.04960	1.6
97.02110	0.6
97.02869	5.6
98.97585	1.6
99.04451	7.0
103.07581	100.0
109.02863	3.7
113.06005	3.5
114.30370	0.9
117.05489	6.3
121.02883	1.1
127.03900	5.7
128.98683	0.7
130.08624	4.3
135.06512	4.1
137.05994	0.9
145.04970	3.6
149.08089	12.7
153.07565	5.0
202.87938	0.7
211.09521	0.7
213.83646	0.8
219.01686	3.0
220.09691	1.6
220.65179	0.8
237.02895	1.1
243.08678	0.8
265.12518	1.0
283.12897	3.1
293.12289	2.9
297.11743	1.7
309.49115	0.8
314.58780	0.8
319.10501	0.8
365.14413	0.8
378.89209	0.8
427.18051	1.7
445.09702	3.0
445.18347	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	445.201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00085	0.7
58.64824	0.7
59.44661	0.7
62.45939	0.7
67.05515	1.3
69.07100	0.7
79.05479	0.9
81.07059	1.5
91.05469	1.6
93.07037	1.1
95.08566	1.0
102.94411	0.8
103.05467	27.5
105.07029	1.6
109.06497	1.2
117.07064	0.9
119.08568	1.4
131.04927	100.0
131.08569	1.6
135.46796	0.9
145.06505	1.2
147.11679	1.1
159.08009	1.2
159.11743	1.0
181.10178	1.1
195.11588	0.9
211.11201	1.6
211.14948	0.9
213.12764	1.0
222.10353	1.4
227.14386	1.8
237.12764	12.3
255.13806	14.3
316.83618	0.9
371.25702	1.1
384.07883	1.0
385.18002	1.3
445.29428	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	445.2043
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
62.26876	0.3
77.28548	0.5
80.62874	0.4
92.17829	0.5
139.06166	0.4
201.03680	1.7
224.20332	0.4
272.74066	0.4
302.50546	0.4
311.86926	0.5
313.16235	0.9
333.07874	15.2
335.09592	0.8
408.41931	0.5
424.43100	0.5
445.20395	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	445.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	6.8
60.29538	4.7
67.05495	11.8
68.98667	4.9
69.07057	7.8
79.05470	5.6
81.07050	11.8
84.55113	5.1
91.05448	8.5
93.07034	24.0
95.08605	70.7
97.06532	5.9
105.07032	60.0
107.08574	37.5
109.10168	34.0
117.07006	6.9
119.08560	21.5
121.10123	24.4
125.92487	5.1
131.08553	25.9
133.10138	48.3
143.08568	25.6
145.10114	41.9
147.11609	10.2
153.45227	5.0
155.08623	10.2
156.09305	8.9
157.10101	36.6
159.11687	24.4
161.64883	5.3
167.08604	7.2
169.10139	27.5
171.11674	40.8
173.13255	7.4
174.86354	5.1
175.20129	5.6
180.09212	4.9
181.10068	28.2
183.11687	24.1
185.13292	11.6
193.10098	6.2
195.11678	29.5
197.13263	33.2
199.15005	6.2
208.12546	10.8
209.13255	58.9
221.13278	10.0
222.14037	8.0
223.14818	41.5
235.14848	6.4
237.16472	7.9
265.19461	100.0
271.91449	5.6
283.20480	39.1
301.21777	7.5
325.21613	10.6
445.25797	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	445.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45858	1.8
53.52459	1.8
53.70224	2.0
55.05495	4.3
56.44810	1.7
57.07073	3.4
62.98796	2.2
67.05497	2.4
69.03429	2.5
69.07069	20.4
79.05498	2.7
81.07055	9.5
82.02374	2.3
83.04990	10.6
83.33517	2.2
93.07034	8.3
95.08595	3.2
97.05962	1.8
97.06532	16.7
101.06008	2.8
105.07047	17.7
107.05006	2.3
107.08584	13.5
109.06516	4.4
111.08094	3.0
113.06041	3.3
117.07020	8.3
119.08555	16.0
121.06483	8.0
121.10129	13.2
131.04959	4.3
131.08586	10.8
133.06474	4.1
133.10138	12.8
135.08057	18.2
141.06966	2.3
143.08594	16.3
145.06488	27.5
145.10135	22.0
147.08034	10.1
147.11641	8.6
155.08522	15.3
157.10103	25.7
159.08057	2.5
159.11635	17.4
161.05920	4.6
163.07539	44.3
169.10158	16.7
171.11676	9.6
173.05998	13.9
173.09564	8.8
173.13312	2.3
175.11160	5.2
181.10057	3.2
183.11697	25.4
185.09708	2.3
185.13362	3.4
187.11115	3.4
189.09122	4.0
193.10155	5.2
194.10803	3.1
195.11688	13.1
196.12448	3.0
197.09627	4.8
197.13260	29.2
199.11043	2.8
199.26337	2.6
201.12747	2.4
207.11644	15.5
209.13275	8.4
211.11183	14.5
211.14806	9.3
219.11697	7.6
220.12564	4.0
221.13332	2.8
223.14786	2.7
225.12749	17.3
225.16345	4.0
227.14333	2.8
229.12175	9.7
234.14026	4.5
237.16412	2.8
239.14336	4.9
239.17964	38.2
249.16365	18.8
255.17497	9.0
257.19016	8.1
267.17401	100.0
285.18454	99.0
327.19547	48.7
345.20587	15.3
385.23761	11.0
445.25766	30.9
455.96204	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	445.2584
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
60.02209	6.6
61.67517	6.7
67.05493	12.5
69.96714	6.9
77.76509	6.8
79.05499	13.2
81.07059	13.7
91.05465	11.1
93.07035	30.2
95.08630	65.8
105.07026	17.3
107.08585	11.3
109.10159	14.5
117.07042	10.4
117.83301	7.8
119.08579	14.7
121.10139	16.2
127.99342	8.2
130.69173	7.5
131.08569	28.3
133.10121	32.4
135.07999	9.4
143.08560	17.4
145.10130	34.3
155.08539	10.7
157.10182	13.0
159.11591	8.1
169.10110	11.3
171.11711	41.7
181.10004	11.6
183.11691	18.2
194.11047	10.4
208.12396	11.0
209.13301	33.3
213.05121	7.6
223.14850	39.6
237.50484	8.9
265.19534	100.0
283.20557	17.5
408.80447	8.4
445.29517	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	445.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	3.0
55.05508	3.1
65.38112	3.0
67.05499	4.7
69.07066	7.0
79.05469	4.2
81.07059	5.8
83.08591	6.7
91.05447	4.1
91.35476	3.5
93.07046	6.9
95.08586	21.7
97.10166	4.2
105.07005	17.0
107.08583	8.1
109.10142	18.0
119.08498	10.6
121.10133	8.1
123.11767	4.3
131.08536	13.0
133.10129	22.3
135.08119	3.4
135.11693	4.4
143.08549	24.3
145.10114	19.7
155.08572	15.0
157.10114	20.8
159.11642	8.1
169.10095	23.3
171.11644	19.0
173.13252	5.1
181.10075	25.0
183.11679	18.6
185.13297	16.0
194.10901	3.8
195.11647	28.3
197.13206	12.8
199.11111	6.5
209.13245	30.8
223.14748	31.4
237.16328	6.6
239.17918	38.7
241.19464	6.3
255.21059	17.0
265.19507	98.6
283.20560	100.0
325.21442	22.9
343.22620	12.7
385.23813	18.9
445.25690	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
56.25952	1.0
67.05525	2.0
69.03415	1.1
69.06724	2.0
69.07066	31.4
79.05497	1.3
81.07056	25.9
87.76978	1.2
93.07030	5.3
94.83781	1.2
95.04964	4.6
95.08585	2.6
97.06530	13.5
99.08076	14.4
105.07007	1.4
106.22283	1.2
107.08608	8.7
109.06492	2.7
109.10157	5.7
111.08071	1.8
119.08563	2.6
121.06527	1.4
121.10128	5.6
123.04430	1.2
123.08048	12.0
123.11678	1.4
125.09627	7.9
126.27553	1.2
127.11178	5.3
131.08569	2.0
132.37375	1.1
133.10110	2.2
135.08046	1.3
135.11743	2.2
136.47754	1.2
137.06013	1.6
143.08672	1.2
145.10106	6.5
146.29100	1.3
147.08060	2.8
147.11702	4.6
149.09576	2.2
155.08582	1.2
157.10127	1.6
159.08040	1.7
159.11699	1.9
161.13194	1.6
165.12723	30.2
173.09618	8.1
173.13252	2.5
181.10182	1.6
185.13223	2.3
187.11165	2.3
187.14796	1.5
189.09135	1.8
191.10681	6.4
191.14204	1.2
195.11606	1.9
197.13268	4.8
199.11363	2.0
209.09891	1.2
213.12831	4.4
215.14365	6.4
225.12753	2.6
227.14307	2.0
229.85271	1.3
231.13857	6.7
237.12654	1.6
237.16339	2.5
239.14352	2.0
249.14922	4.5
255.17384	2.9
265.15884	5.6
265.19952	1.2
283.16937	13.8
292.09451	1.3
293.18835	1.4
295.20648	2.0
301.17947	42.4
302.18823	4.5
303.19464	1.3
311.20328	1.6
313.21683	5.5
329.21255	4.7
331.22876	5.0
335.20096	2.4
353.21310	6.0
371.22144	34.6
371.26541	1.8
391.26315	2.1
405.21716	1.2
409.27533	9.6
427.28494	49.7
445.29562	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	445.2952
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.18094	0.6
55.05501	0.6
69.07076	4.9
80.05074	0.7
81.07066	2.9
93.07021	1.4
95.04990	0.7
95.08604	1.2
97.06528	2.6
105.07018	1.1
107.08575	3.7
109.06506	3.4
109.10204	0.8
111.63634	0.7
121.10116	0.9
123.04402	1.1
123.08057	27.7
125.09603	3.9
135.08051	1.0
137.06003	0.8
137.09688	0.9
143.08531	1.1
145.10132	1.5
149.09616	3.2
161.09673	1.2
162.31470	0.7
165.12735	3.4
169.10164	0.9
173.09610	3.1
175.11243	1.3
179.14334	0.8
187.11163	2.8
197.13153	2.4
201.12740	1.6
204.46066	0.7
209.11714	0.8
213.12743	1.4
215.14264	8.1
231.13831	5.9
243.13716	1.4
247.13234	4.2
249.14816	10.4
283.16748	1.1
285.18311	1.1
301.18219	0.9
303.19586	9.2
331.22665	1.0
335.20044	1.4
353.21155	2.9
371.22141	100.0
409.27719	1.0
427.28613	8.1
445.23602	1.4
445.29434	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08729	1.4
55.01874	3.2
57.07058	1.7
67.05498	9.8
68.44447	1.9
69.03421	8.5
69.07067	3.6
74.89081	1.9
79.05482	9.1
81.03419	38.2
81.07066	15.2
83.87029	2.0
91.05486	8.7
93.07043	51.5
93.76440	2.0
95.04981	22.3
95.08595	19.3
105.07018	18.4
107.08591	42.1
108.61060	2.0
109.06535	2.7
109.10138	11.3
111.08057	2.0
113.02197	2.1
116.49194	1.9
117.07005	7.4
119.04913	6.6
119.08572	23.5
121.10156	14.1
123.11719	2.7
128.39984	1.7
131.08611	9.5
133.06496	8.2
133.10127	38.2
135.08052	100.0
135.11681	6.6
143.08614	6.7
143.62277	1.9
145.06483	11.7
145.10135	22.0
147.08098	3.1
147.11682	7.5
157.10109	3.0
159.08029	2.2
159.11659	10.2
161.08299	4.2
161.09602	89.5
161.13237	2.2
163.11189	9.5
169.10164	2.9
171.11682	7.5
173.09726	2.5
173.13237	7.8
183.11717	3.7
185.13217	3.0
197.13339	1.9
199.14920	4.1
201.12778	4.0
203.14145	2.0
209.13223	3.5
223.14862	2.9
241.15944	2.8
255.21030	4.5
265.19482	8.9
283.20575	47.9
290.48801	1.9
343.22714	11.0
437.66956	2.3
445.29620	4.1
445.36664	1.9
450.78400	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
66.60183	1.8
67.05509	3.4
69.03411	9.7
70.60178	1.9
79.05492	9.4
80.07720	2.0
81.03410	40.7
81.07054	19.2
91.05467	8.4
92.47698	2.0
93.07039	45.5
95.04969	19.8
95.08598	11.2
103.09699	1.9
105.07038	19.0
107.08587	33.9
109.06481	4.7
109.10144	11.6
117.07038	3.4
119.04912	2.8
119.08556	19.6
121.10143	9.7
123.11703	3.5
131.08521	3.8
133.06480	4.4
133.10130	33.1
135.08047	100.0
135.11588	3.0
137.09679	2.1
143.08568	3.3
145.06465	11.5
145.10123	11.1
147.11671	7.5
157.10126	3.1
159.11670	7.2
161.09593	75.1
161.13152	2.4
161.46936	2.1
163.11172	9.1
171.11594	4.2
173.13246	8.9
175.11195	3.7
181.10085	2.4
183.11594	2.0
189.12781	2.8
199.14890	2.1
201.12730	3.4
209.13228	2.9
225.16431	2.7
227.14220	2.1
229.26343	1.9
241.15872	3.8
255.21187	3.9
283.20578	34.9
343.22638	4.0
360.48901	2.2
364.40381	1.7
423.91742	1.9
429.60419	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70993	4.7
55.05505	5.2
59.76615	4.4
69.07059	11.2
77.18629	4.8
79.05479	11.3
81.07056	19.5
89.30312	5.1
91.05465	11.9
93.07034	22.5
95.08609	23.0
103.05497	18.1
105.07049	27.5
107.08590	12.4
117.07003	6.9
119.08582	20.1
121.10105	6.8
129.06978	6.5
131.04951	43.3
131.08562	22.5
133.10072	10.1
143.08644	6.9
145.10123	23.2
147.11702	8.6
157.10101	6.1
159.11705	11.1
171.11670	8.6
183.11652	4.9
195.11748	7.4
196.86884	5.2
237.12828	6.4
309.72714	5.5
389.26981	6.0
445.23965	7.6
445.29391	100.0
445.34717	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	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36052	0.6
55.05513	4.8
57.03444	0.9
57.04844	0.7
66.20562	0.7
67.05216	0.8
67.05511	11.5
69.07071	6.8
76.72448	1.0
79.05499	8.2
81.07064	16.7
82.63657	0.8
83.04965	1.0
83.08598	4.4
85.06552	1.3
91.05473	13.4
93.07037	11.7
95.04980	1.2
95.08598	10.8
97.06584	1.0
97.10160	1.4
103.05489	6.8
105.07034	18.8
107.04941	0.9
107.08585	7.5
109.06478	1.8
109.10160	4.8
117.07011	9.0
119.08582	13.4
121.06449	1.0
121.10150	6.8
123.08033	1.0
129.07008	6.6
131.04929	30.0
131.08566	19.5
133.06499	1.5
133.10153	7.8
135.07994	1.2
135.11684	3.5
141.06978	3.4
143.08511	6.6
145.10115	11.1
147.08093	1.6
147.11697	3.2
149.09570	1.6
155.08559	5.1
157.10150	6.3
159.11671	6.4
161.09586	1.0
167.08511	1.4
169.10121	3.9
171.11699	4.9
173.09627	1.3
173.13345	1.3
175.11131	1.2
176.16956	0.9
181.10057	1.3
183.11700	4.1
185.13261	3.6
187.14795	0.9
195.11682	3.5
197.13232	1.4
199.11264	1.3
199.14743	1.1
209.13240	1.3
213.12814	1.2
223.14761	0.9
237.12732	3.6
237.16325	1.2
247.17076	1.0
255.13777	3.2
335.23596	1.2
353.24899	6.8
371.25790	5.5
389.26953	5.9
445.29486	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72638	0.8
55.05505	5.2
57.03444	1.4
67.05512	16.3
69.07063	6.2
71.04960	1.0
71.36965	0.9
78.28173	0.9
79.05490	10.6
79.74612	0.8
81.07061	16.9
83.08614	4.3
84.90841	1.0
85.06560	1.0
91.05480	15.6
93.07043	12.7
95.04944	1.0
95.08587	11.3
97.06548	1.2
97.10170	0.9
105.07041	18.9
107.08597	7.9
109.06503	1.0
109.10136	4.6
109.86877	0.9
117.07027	8.0
119.08588	15.9
119.68748	1.0
121.10122	7.7
123.08012	1.4
129.07011	7.0
131.04865	1.0
131.08557	22.1
131.99460	0.9
133.10118	7.6
135.11700	3.6
141.06967	1.4
143.08560	8.8
145.10120	11.0
147.11664	1.5
149.09538	1.5
151.11212	1.1
155.08534	1.4
157.10146	5.6
159.11687	4.5
169.10129	4.6
171.11655	4.6
173.13268	1.8
181.10127	1.3
183.11682	1.7
185.13301	1.9
187.11154	1.0
187.14758	1.4
195.11678	1.4
197.13326	1.4
199.14874	1.1
209.13306	1.6
211.14844	1.2
227.14352	0.9
281.18121	0.9
325.25153	1.2
343.26331	2.0
353.24792	5.0
371.25739	6.6
389.26895	7.7
434.45694	1.0
445.29532	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	445.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38571	1.7
55.05510	13.9
57.03447	14.9
57.07079	20.2
67.05496	23.1
69.07071	28.7
71.04110	1.7
71.08629	9.0
75.04470	3.0
79.00563	2.1
79.05494	9.2
79.34164	2.0
81.07059	49.1
83.08620	27.0
85.06556	2.6
85.10179	9.5
85.99257	1.9
93.07022	15.7
95.08605	50.5
97.06523	10.9
97.10151	28.1
99.08076	2.5
105.07014	2.9
107.08562	18.5
109.10155	20.2
111.08055	9.6
111.11703	4.6
121.10126	25.3
123.11707	10.7
125.09591	4.9
133.10120	3.2
135.11653	17.5
137.13196	3.2
137.77621	2.2
145.10208	2.4
147.11682	3.7
149.13255	13.7
163.14856	3.8
163.20168	2.4
177.16377	3.9
190.42570	2.5
238.62985	2.4
279.23242	3.2
315.25247	29.3
353.26831	23.5
371.27850	31.7
427.30359	18.7
445.31564	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	445.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.1
55.86873	1.5
57.03448	14.1
57.07086	16.4
60.92249	1.5
63.80737	1.4
63.82790	1.6
67.05508	26.9
69.07065	28.0
71.08640	12.3
79.05469	7.9
81.07063	37.8
83.08615	37.5
85.10170	4.2
93.07053	17.0
95.08599	44.2
97.06504	13.6
97.10168	26.0
99.08098	1.9
107.08591	10.5
109.10152	24.8
111.08073	10.1
111.11720	7.1
121.10146	23.3
123.11703	8.2
125.09605	7.6
135.11681	18.5
139.11221	2.7
145.10144	2.1
149.13249	11.3
153.12758	2.7
163.14786	7.7
167.14255	2.3
251.23703	2.5
315.25253	33.8
353.26907	18.9
371.27890	21.7
427.30698	10.2
445.31604	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	446.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81102	0.7
53.65410	0.7
57.03424	1.0
61.02934	0.8
69.03432	1.3
72.08133	0.9
73.02881	1.1
74.58018	0.8
81.03397	1.4
84.08171	1.7
85.02894	4.8
86.09707	1.3
86.81741	0.9
97.02887	1.7
98.97546	1.3
101.02879	0.8
104.63387	0.9
109.02896	1.7
109.45709	0.9
127.03927	1.2
130.04987	1.2
132.10249	1.3
134.58968	0.9
152.05678	100.0
153.04028	1.0
158.99680	1.5
189.00656	1.0
219.01709	2.1
237.02769	1.2
314.10736	4.7
337.10681	1.0
446.16074	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	446.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07962	1.2
56.17318	1.5
57.03443	1.5
62.29574	1.2
69.03416	6.0
74.06091	3.3
81.03419	2.6
85.02912	26.0
86.09707	1.7
87.30128	1.2
97.02869	10.0
99.04482	1.5
106.02897	1.4
109.02881	3.0
110.06047	95.1
119.23153	1.7
123.04419	2.2
127.03889	3.2
137.05980	20.1
138.99004	1.3
152.07071	100.0
175.07600	3.4
180.08688	1.8
191.07086	2.3
203.07034	38.2
231.06485	6.1
249.07582	40.9
267.08636	30.5
276.12451	1.4
314.12335	12.0
446.20056	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	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69808	0.8
72.19398	0.7
85.02915	1.0
87.08086	3.3
96.53160	0.8
103.05480	1.2
105.09154	1.6
107.04944	1.5
120.08099	100.0
131.04916	3.9
140.54916	0.8
149.05971	3.5
156.11555	0.8
166.08618	48.9
188.49927	1.0
446.16293	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	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04449	1.8
57.03440	20.9
59.04987	3.1
60.04514	2.1
61.02921	8.4
61.80716	1.7
69.03089	2.8
69.03429	66.4
71.01335	2.5
73.02914	36.8
85.02905	67.0
87.03974	2.9
87.04467	66.2
97.02892	75.0
99.04489	2.5
103.03928	2.6
105.03374	3.3
109.02868	3.4
115.03928	100.0
127.03943	13.8
133.04961	69.9
133.09863	2.1
135.08118	2.6
137.05989	2.2
145.04948	15.9
150.07623	16.7
163.06023	3.1
177.37682	1.9
180.08592	2.3
223.05981	2.9
241.06999	3.2
243.48886	2.1
259.08167	8.6
277.09128	2.4
295.10248	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	446.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59313	0.8
58.30155	0.8
61.45614	0.7
67.05499	4.5
79.05454	1.4
91.05487	10.9
95.04969	3.8
105.07024	14.9
107.04946	3.6
112.79850	0.7
117.06999	8.5
119.04934	2.0
128.06221	1.0
129.06999	16.1
131.04916	1.3
134.09631	11.6
143.08607	3.8
145.06509	8.7
153.06978	1.8
155.08542	20.2
165.06958	10.7
166.07764	6.1
167.08546	24.9
167.09924	1.5
169.10089	3.5
178.07768	5.4
179.08549	42.4
180.09332	15.2
181.10110	29.8
182.07391	1.3
183.08006	1.4
192.09328	36.5
193.10129	26.5
194.10899	54.1
195.08076	3.7
195.11699	11.0
204.09334	15.3
207.11684	24.3
208.08975	1.4
209.09915	1.4
209.13248	52.7
210.11288	22.2
219.11679	17.6
222.10333	12.4
222.48085	0.9
225.40862	1.0
237.12718	32.6
282.18390	1.1
446.23267	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	446.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59313	0.8
58.30155	0.8
61.45614	0.7
67.05499	4.5
79.05454	1.4
91.05487	10.9
95.04969	3.8
105.07024	14.9
107.04946	3.6
112.79850	0.7
117.06999	8.5
119.04934	2.0
128.06221	1.0
129.06999	16.1
131.04916	1.3
134.09631	11.6
143.08607	3.8
145.06509	8.7
153.06978	1.8
155.08542	20.2
165.06958	10.7
166.07764	6.1
167.08546	24.9
167.09924	1.5
169.10089	3.5
178.07768	5.4
179.08549	42.4
180.09332	15.2
181.10110	29.8
182.07391	1.3
183.08006	1.4
192.09328	36.5
193.10129	26.5
194.10899	54.1
195.08076	3.7
195.11699	11.0
204.09334	15.3
207.11684	24.3
208.08975	1.4
209.09915	1.4
209.13248	52.7
210.11288	22.2
219.11679	17.6
222.10333	12.4
222.48085	0.9
225.40862	1.0
237.12718	32.6
282.18390	1.1
446.23267	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	446.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.49124	0.9
69.03414	6.5
83.04962	1.2
84.47015	1.0
85.02904	1.4
91.05470	2.4
97.26752	0.8
99.04379	1.1
107.08598	16.1
119.08575	100.0
129.05449	1.8
135.08060	31.0
159.11479	1.1
164.68083	0.9
256.84177	0.9
281.13861	4.4
327.04715	1.0
415.20999	16.1
439.53064	1.0
446.25269	2.4
468.45868	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	446.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94137	0.6
55.55947	0.7
59.92291	0.5
60.07184	0.6
61.72469	0.6
64.77990	0.7
67.47159	0.6
68.54964	0.8
92.18125	3.4
106.74275	0.7
116.48466	0.7
135.08035	1.0
269.68988	0.7
325.87656	0.8
343.19406	1.0
400.30008	22.8
413.27231	3.2
428.29468	100.0
446.30533	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92221	1.1
58.21959	1.1
58.38606	1.0
63.61105	1.1
69.07103	1.2
84.49022	1.2
87.68884	1.2
88.47923	1.3
91.47359	1.2
94.80267	1.1
95.08613	1.3
97.34124	1.0
114.27087	1.2
118.75896	1.0
121.10118	1.2
122.07278	2.6
135.08098	2.2
136.08798	1.3
137.05969	1.4
150.06735	20.9
151.07529	100.0
152.08308	9.1
160.66757	1.2
164.08278	1.7
173.09581	2.4
175.07558	1.9
175.11160	2.1
177.09148	1.7
179.59793	1.1
187.11200	4.0
189.09151	2.1
191.10648	21.8
201.86356	1.2
203.10591	1.5
242.71683	1.2
318.72827	1.1
400.33176	7.6
428.32712	11.1
446.33865	74.6
447.34299	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	447.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03389	0.9
63.19405	0.9
70.06575	8.3
76.00761	0.9
85.87264	1.0
97.83241	1.0
104.07081	1.0
156.05064	1.5
174.06129	1.8
197.05423	4.8
198.06100	11.7
201.70499	1.2
206.20409	1.1
212.07655	2.2
215.06473	1.5
216.07198	5.4
217.05641	1.2
223.06825	1.5
224.07663	4.9
225.10677	1.1
226.26294	1.0
230.08800	3.3
235.06677	4.7
235.09181	6.7
240.07176	2.1
253.07880	2.3
253.10355	7.6
256.10385	1.3
271.04126	1.2
271.11365	34.7
286.11319	4.5
314.10834	16.2
332.11838	62.6
350.12924	100.0
411.13361	2.3
447.09555	1.9
447.18213	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40742	0.8
51.76363	0.8
63.44886	0.8
68.35096	0.9
69.64190	0.8
75.33222	0.8
86.09683	1.1
109.52129	0.9
110.06036	7.6
111.06390	4.2
118.05974	0.9
123.04467	1.7
152.07045	6.3
153.07419	5.8
172.33640	0.9
208.99013	1.0
257.32175	1.0
403.77994	1.1
447.18411	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	447.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
62.57321	2.2
62.84655	2.1
65.20367	2.0
65.56204	2.2
65.94403	2.4
69.03423	3.3
69.07065	3.7
81.07037	9.5
91.05475	2.8
93.07026	3.2
101.55208	2.8
103.05503	20.0
105.07009	4.5
109.06503	3.0
109.10129	2.7
113.73377	2.3
117.07030	2.6
121.06447	2.6
129.06989	9.6
131.04933	100.0
131.08498	5.9
135.67358	2.8
139.39940	3.0
141.07011	10.1
143.08582	10.7
145.06502	9.9
147.08052	3.9
155.08519	21.2
157.10176	3.9
159.08040	9.8
161.63080	2.3
167.08583	4.2
168.09375	3.9
169.10141	18.4
179.08488	12.7
181.10104	4.3
182.11021	2.9
183.11678	15.4
191.08664	2.7
196.12544	2.9
197.09595	14.0
197.13321	13.2
206.10971	14.0
209.09589	3.2
210.10423	11.6
211.11290	4.1
211.14812	4.8
213.12709	4.5
221.13280	4.4
224.11984	16.2
229.12230	9.2
239.14281	78.8
257.15323	16.3
284.59048	2.7
383.24689	2.9
385.38681	3.8
447.21677	67.4
447.30896	11.9
447.42398	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	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17032	1.5
53.01612	1.4
57.07083	1.9
60.81939	1.6
66.02833	1.5
69.34692	1.5
81.07059	8.1
91.05479	2.2
92.18566	2.1
92.89738	1.6
93.07028	9.5
95.08610	1.9
97.06522	14.1
98.64661	1.7
105.07063	8.3
107.08590	3.8
109.10124	2.7
110.48225	2.1
119.08590	9.6
121.10175	2.4
131.08519	3.1
133.10150	9.5
136.21194	1.8
138.45204	1.7
143.08553	3.2
145.06483	7.4
145.10124	12.8
147.08084	6.8
147.11693	3.0
155.08568	18.2
156.09302	3.7
157.10172	12.6
159.08057	1.9
159.11711	11.1
163.07591	2.1
169.10104	11.4
171.11690	12.0
181.10126	8.8
183.11678	16.5
185.13205	2.0
195.11714	3.0
196.12505	15.3
197.13277	28.0
199.14856	3.2
206.10985	1.8
207.11726	9.5
209.13135	2.8
211.11211	3.4
211.14836	2.1
213.16385	2.5
219.11630	2.2
220.12393	2.0
221.13425	2.1
223.14758	1.9
224.15623	2.1
225.12860	7.1
225.16396	7.5
234.14020	3.0
237.05717	1.8
239.17938	100.0
241.15991	2.4
249.16380	17.0
257.18927	3.1
258.00754	2.1
267.17407	44.3
271.91043	1.8
285.18439	23.8
315.63055	1.6
327.19537	61.5
345.20618	7.3
447.23764	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2481
Annotation	MC-207,110
Peak:m/z	Relative Intensity
57.07084	6.4
70.72796	0.5
71.08630	6.7
81.07045	1.3
81.49915	0.7
83.08594	1.0
85.10161	3.9
93.88322	0.6
95.08579	3.8
109.05316	0.6
109.10174	1.1
130.96849	0.7
134.98160	10.8
138.78044	0.7
196.36122	0.7
208.92917	0.8
209.01894	3.4
313.27283	7.8
447.24777	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	447.2508
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
55.05508	7.9
57.03435	10.7
57.07061	1.4
65.45960	1.4
67.05505	36.3
69.07063	9.0
79.05491	15.7
81.07056	37.9
82.18531	1.4
83.08611	5.8
91.05468	8.3
93.07044	21.7
95.08595	44.6
97.10197	1.6
105.07029	9.4
107.08578	17.3
109.10155	23.6
112.99220	2.7
113.00006	73.4
117.06950	1.7
119.08572	9.9
121.10132	17.8
123.11683	8.9
127.35045	1.5
127.89764	1.5
131.08559	6.3
133.10133	10.8
135.11678	14.3
138.92763	1.5
145.10089	6.6
147.11659	8.4
149.13229	6.5
159.11681	2.4
161.13240	3.5
166.12694	1.5
169.02609	15.2
170.92668	1.5
173.13318	5.7
187.03630	5.9
187.14772	3.5
238.98450	1.9
243.21066	7.5
261.22052	14.7
287.51382	1.7
317.24664	3.8
335.25763	100.0
385.31866	1.8
429.23944	2.5
447.25107	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	447.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81034	0.9
55.05507	1.2
60.39629	1.4
69.07073	2.1
76.26540	1.3
79.05478	1.4
81.07055	7.6
83.08646	1.4
89.82882	1.2
91.05478	6.1
93.07030	9.8
95.04963	2.0
95.08582	5.8
96.52686	1.1
105.07035	9.9
107.08582	2.4
119.08586	5.8
121.10142	5.2
131.08557	1.9
133.10129	22.2
135.11705	1.3
143.08650	1.3
145.10117	1.4
159.11674	1.4
173.09671	1.4
173.13135	1.4
185.09521	1.4
201.09061	10.1
225.09108	5.1
239.10657	1.8
249.12688	1.3
267.10745	1.5
267.13837	11.2
291.13614	1.4
295.13275	25.2
296.14011	1.5
309.14786	1.6
315.13806	1.4
316.32349	1.3
331.12970	1.4
343.16925	9.5
358.19263	5.9
359.19986	1.7
386.18781	2.1
387.19711	6.8
429.24286	100.0
447.26761	2.6
464.79712	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	447.2511
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
50.93002	2.3
51.51613	2.5
54.34725	2.5
55.05516	4.3
57.03450	3.6
62.61814	2.5
67.05515	25.6
69.07054	4.5
71.12504	2.8
73.53047	3.3
75.48500	2.8
78.05575	2.9
79.05494	11.9
80.19721	2.6
81.07066	35.9
82.04642	2.8
83.68964	2.6
91.05495	3.9
93.07047	26.6
95.08603	26.9
100.34083	2.9
105.07040	4.4
107.08579	26.2
109.10175	12.8
113.00018	100.0
119.08559	14.3
121.10133	14.2
121.52248	3.4
123.11658	3.8
131.08577	6.9
133.10123	13.0
135.11685	18.1
145.10126	5.4
149.13283	5.2
163.14792	4.1
169.02606	66.5
187.03610	5.6
205.77609	3.0
243.21112	4.3
244.12102	2.9
261.22073	24.3
317.24686	12.0
335.25827	46.2
365.53754	3.5
404.71790	3.3
414.92606	3.3
425.56107	3.0
429.24054	17.2
447.25223	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	447.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38771	1.5
55.05510	2.7
66.69044	1.8
67.05504	2.4
69.07048	3.2
71.01774	1.8
73.96528	1.9
79.05473	4.0
81.07054	7.8
91.05474	10.3
93.07041	13.5
95.08596	12.1
103.05467	18.3
105.06989	14.7
106.86838	1.6
107.08569	15.5
109.06526	2.1
109.10139	12.5
117.07037	2.4
119.08584	50.6
120.23500	1.7
121.10152	23.0
123.11693	6.8
129.06990	2.8
131.04929	100.0
131.08545	9.8
133.10121	29.2
135.08049	7.3
135.11696	3.6
135.49005	1.8
142.07794	2.3
143.08562	21.4
145.10100	12.6
147.08063	2.6
147.11711	4.4
149.09622	3.0
155.08559	14.6
156.09270	1.8
157.10121	29.4
159.08061	7.2
159.11696	8.1
161.09657	7.9
167.08527	6.6
169.10127	19.9
171.11676	10.2
179.08487	2.5
181.10155	10.5
182.11021	2.3
183.11717	16.8
185.09555	2.7
185.13211	3.4
193.09995	5.4
194.10858	3.9
195.11668	4.5
196.12718	2.3
197.13260	11.9
199.14874	2.1
200.11925	2.3
207.11816	6.9
208.12529	3.0
209.13199	2.7
211.14769	8.2
213.12808	1.7
213.16351	7.3
221.13228	3.3
223.14771	11.5
237.16580	2.0
239.17921	2.6
253.19514	9.0
253.61421	2.0
267.74286	2.1
271.20395	2.8
281.19037	10.7
299.20221	3.6
386.02777	1.9
447.25314	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
57.03426	3.4
57.07067	3.8
67.05521	5.6
69.07072	8.6
70.90101	3.1
79.05486	4.3
81.07049	14.9
83.04978	4.6
83.08625	3.7
91.05482	16.8
93.07015	7.4
95.08604	14.3
97.06515	13.8
101.46241	3.1
103.05473	19.9
105.07030	34.7
107.05000	4.9
107.08580	22.9
109.06525	17.1
109.10172	26.5
117.07026	15.5
119.08574	92.0
121.10131	16.7
123.08101	4.3
123.11684	6.9
128.66240	3.6
129.07011	5.2
131.04913	64.7
131.08580	32.7
133.10120	45.3
135.08047	5.2
137.09573	5.0
143.08533	26.1
143.31061	3.7
145.10123	45.1
147.08008	5.6
147.11681	16.3
149.05995	4.8
149.09657	3.8
155.08560	21.1
156.09311	5.7
157.10104	33.2
159.08049	7.4
159.11681	23.8
161.09589	6.0
161.13284	4.6
163.11162	6.5
167.08598	4.0
169.10086	27.9
171.11658	35.2
173.09596	6.5
173.13268	17.9
175.11249	5.5
180.09305	5.1
181.10210	7.3
183.11694	28.8
185.13254	7.2
187.11168	8.5
189.12830	6.3
195.11717	6.4
196.12372	4.0
197.09637	5.3
197.13341	27.3
199.11201	6.6
201.12692	5.5
207.11690	8.4
208.12529	3.8
209.13200	5.5
211.11195	4.7
211.14833	18.7
211.59004	3.7
213.16418	4.0
215.00250	3.4
221.13268	15.4
223.14731	6.2
225.12712	5.1
233.13417	5.1
236.14911	5.2
237.16560	4.2
239.14163	3.4
248.15724	6.1
253.19580	39.7
281.19058	43.9
299.20062	100.0
316.05731	3.9
334.29123	3.5
423.56000	3.5
447.25360	21.2
447.34894	6.2
472.25735	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	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32647	3.8
58.37387	3.9
60.46055	4.7
66.28442	3.8
69.03419	7.0
79.05499	7.2
81.03431	44.9
81.07040	21.6
85.45677	5.1
88.09304	4.9
91.05479	9.9
92.18506	11.2
93.07050	61.8
95.04967	27.4
95.08603	20.2
105.07026	28.3
107.08614	34.9
109.06561	6.3
109.10130	8.5
117.07036	6.9
119.08562	24.6
121.10147	10.8
131.08507	5.4
133.06494	19.5
133.10149	34.0
135.08052	96.7
143.08540	9.3
145.10141	19.7
147.11710	6.6
157.10162	6.8
161.09607	100.0
163.11162	8.7
173.13293	8.3
178.10509	4.9
181.10034	5.9
183.11732	7.0
201.12817	6.3
213.12718	5.8
239.52257	5.2
283.20566	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70526	2.3
61.97215	2.5
64.48379	2.5
67.05510	11.1
69.03416	12.4
79.05499	6.1
81.03418	42.2
81.07036	17.3
91.05479	15.6
92.85583	2.5
93.07035	49.1
95.04969	24.6
95.08576	21.7
97.92599	2.8
105.07025	27.5
106.25572	2.7
107.08585	40.2
109.06496	4.6
109.10139	18.3
111.68774	2.3
117.07038	4.0
118.47598	2.7
119.08570	25.2
121.06479	2.8
121.10112	14.5
123.08043	2.9
123.11748	4.7
131.08568	6.5
133.06514	11.1
133.10124	46.0
135.08047	100.0
135.11713	5.1
143.08543	4.8
145.06493	6.6
145.10152	12.1
147.11676	6.5
157.10083	3.4
159.11720	6.6
161.09607	98.7
163.11172	16.5
169.10126	5.6
171.11688	6.3
173.13206	11.4
177.43765	2.7
183.11661	5.6
191.24121	2.9
195.11710	4.1
196.27391	3.5
199.11130	2.9
201.12729	4.5
227.14249	6.0
255.20903	3.6
265.19470	5.7
283.20599	52.9
283.23505	4.3
293.49686	2.8
343.22568	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
76.42655	0.7
79.05486	4.6
79.98777	0.7
81.03424	1.1
81.07076	8.9
91.05486	3.5
92.17880	0.8
93.07053	1.6
95.04950	1.7
95.08624	5.4
105.07024	6.0
107.08598	18.5
109.10148	3.8
109.14612	0.7
115.05399	0.7
116.23110	0.7
117.06995	1.2
119.04942	2.9
119.08572	3.8
121.10139	2.9
123.11719	5.9
131.08566	1.3
133.06494	4.9
133.10132	7.3
135.08054	100.0
137.09663	0.8
143.08562	1.4
145.06447	5.3
145.10110	3.3
147.08000	0.8
147.11745	1.3
149.05959	0.9
149.13216	1.1
157.10136	1.7
159.07927	1.1
159.11697	1.5
161.09653	6.0
163.11185	6.2
171.11598	0.7
173.30417	0.7
179.10617	5.2
181.10048	1.2
227.14349	1.2
231.49152	0.7
255.21103	0.9
265.19638	1.5
283.13403	0.9
283.20520	14.0
289.71436	0.9
301.21521	1.4
447.27356	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95350	0.6
67.05492	1.1
69.07057	1.1
74.87183	0.6
79.05484	3.4
81.03423	1.5
81.07066	8.1
83.08625	0.7
91.05472	4.2
92.17923	0.9
93.07043	4.1
95.04974	1.6
95.08599	6.2
105.07050	6.7
107.08595	17.6
109.06519	0.8
109.10119	3.3
109.58068	0.9
112.11752	0.7
117.07013	2.9
119.04941	3.8
119.08604	5.1
121.10108	1.6
123.11720	7.2
131.08582	1.3
133.06519	5.1
133.10150	6.8
135.08055	100.0
135.11615	1.3
143.08560	1.5
145.06523	5.8
145.10118	1.5
145.59282	0.7
147.08060	1.5
147.11716	0.9
157.10080	1.2
159.11659	1.5
161.09613	7.3
163.11189	4.6
165.05481	1.1
169.10141	1.0
179.10680	4.9
181.10051	1.2
183.11589	0.8
195.11665	1.1
209.13252	1.0
212.71841	0.7
215.14340	1.1
223.14697	0.9
227.14418	0.9
238.56042	0.8
255.21086	0.8
265.19601	0.9
277.59225	0.8
283.20532	13.9
301.18268	0.7
301.21677	1.1
447.19699	0.8
447.27225	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	447.2742
Annotation	CJ 13103
Peak:m/z	Relative Intensity
55.05524	16.1
57.03433	1.1
57.07069	6.7
67.05509	10.2
69.07075	20.1
71.08625	1.8
79.05492	7.1
81.07066	17.8
82.73787	1.1
83.08625	16.4
85.10153	1.5
91.05452	6.1
92.18587	3.2
93.07026	10.9
95.08611	14.0
96.05924	1.1
96.58909	1.4
97.06530	2.4
97.10162	7.9
103.05472	1.4
105.07014	4.6
107.08607	9.5
107.59649	1.3
109.10160	5.2
114.25999	1.2
119.08565	2.5
121.10133	5.5
122.86491	1.1
123.11718	1.8
131.04936	8.6
131.08510	1.6
133.10144	2.9
135.11685	5.9
137.09578	1.4
143.08531	1.9
155.08565	1.3
159.11626	1.4
169.10167	2.7
183.11598	1.8
193.04962	100.0
239.14377	2.9
249.02307	1.2
299.20084	1.9
326.87442	1.5
429.26297	17.4
447.27435	83.2
447.34573	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	447.3104
Annotation	Manogenin
Peak:m/z	Relative Intensity
50.95343	1.0
55.05513	4.0
57.07079	1.9
67.05503	1.7
67.22636	0.9
69.07050	2.4
79.05486	1.5
81.07052	10.5
83.08630	1.3
91.05483	6.3
93.07031	1.4
95.08585	2.4
99.08203	1.1
105.07019	1.2
107.08587	2.5
109.10154	13.6
119.08640	1.3
121.10176	1.7
127.03928	1.1
130.52879	1.1
131.08516	2.8
137.05913	2.2
143.08522	1.3
145.10123	6.2
157.10046	1.8
169.10152	1.5
171.11630	1.4
171.76358	1.4
173.09689	2.3
181.10092	1.4
187.11252	1.4
191.10701	4.1
205.15900	1.4
211.14713	1.3
216.26607	1.2
221.13316	2.2
225.12766	2.8
237.16307	1.4
253.15790	1.4
255.21182	1.4
265.15854	5.8
283.16913	19.2
285.18561	1.7
301.17950	100.0
302.18756	4.3
303.19717	1.7
311.20044	6.5
326.63699	1.2
329.20969	11.8
396.94397	1.4
411.28772	2.0
425.45435	1.2
429.29935	14.6
447.31061	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3105
Annotation	3-Dehydro-2-deoxyecdysone
Peak:m/z	Relative Intensity
55.05513	1.3
67.05511	1.4
69.07069	15.3
71.04977	1.3
79.05511	1.5
81.07065	4.0
85.02885	1.1
88.82024	0.9
91.05471	1.4
93.07033	4.3
95.08602	6.7
100.07612	3.7
101.07944	1.3
105.07030	4.6
107.04969	1.0
107.08576	7.5
109.10154	25.8
111.11746	1.7
119.08593	3.4
121.10136	5.4
121.10919	0.9
123.08112	1.0
123.11677	2.0
126.09116	1.2
127.11189	1.4
131.08595	1.4
133.10115	1.8
135.07985	2.6
135.11629	1.6
137.05980	1.2
137.09569	0.9
143.08578	3.8
144.10152	1.1
145.10123	5.1
147.11711	1.6
149.13260	3.3
155.08556	1.0
157.10115	2.1
159.11742	4.9
161.09712	1.0
171.08212	1.0
171.11731	1.4
173.09659	3.9
173.13216	1.7
175.11220	1.2
187.11174	1.5
187.14781	1.3
191.10721	2.0
197.13145	1.5
199.14835	1.5
213.12865	1.4
215.14313	1.9
224.52596	0.9
225.12848	1.8
227.14125	1.2
237.16435	1.2
265.15793	3.3
265.19598	1.0
267.20969	1.2
283.16913	16.9
285.22174	4.3
301.17960	100.0
303.19354	1.1
327.19897	1.2
329.03421	1.0
329.21048	1.0
355.22705	1.7
375.26843	0.9
393.27798	4.4
411.28897	45.9
429.30075	28.6
447.25754	8.1
447.31116	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3108
Annotation	Porrigenin B
Peak:m/z	Relative Intensity
51.87441	2.0
57.07074	12.8
69.07074	14.7
71.08622	5.8
79.05490	11.6
81.07056	66.4
85.02913	2.4
91.05487	13.3
91.15771	2.5
93.07050	36.2
94.54093	2.4
95.08624	11.5
99.08099	3.3
105.03400	5.2
105.07010	17.5
107.04949	4.5
107.08601	10.7
109.10181	4.0
111.08067	10.9
117.07000	10.1
119.08604	14.3
121.06504	10.1
121.10146	9.9
123.08048	5.5
128.31987	2.4
129.07004	4.1
131.08517	17.8
133.10158	23.5
135.08063	3.6
137.06044	4.2
139.07590	2.6
143.08575	13.7
145.10126	18.7
147.08109	3.2
147.11674	5.9
155.08582	3.6
157.10118	9.5
159.11734	4.3
161.09654	4.7
169.10130	4.9
171.08035	3.1
171.11626	2.3
173.09575	13.3
173.13321	4.8
175.11180	3.1
179.10759	3.5
183.11691	3.6
189.09056	3.2
195.11777	5.8
197.13342	4.1
207.11696	3.1
209.13243	3.6
211.11238	2.5
213.12692	4.5
221.13266	2.9
225.16327	3.0
231.13881	2.9
235.14798	12.7
237.16472	3.0
239.14453	3.2
247.14905	4.7
253.15871	17.1
265.15881	10.9
267.17258	2.8
271.16946	14.1
283.16977	22.0
289.17950	16.8
301.18033	15.4
313.21671	4.3
331.23077	2.6
377.45053	2.8
383.29358	3.6
390.77521	2.5
393.27887	2.3
411.29089	11.9
417.30252	3.5
429.30099	65.5
447.20599	4.7
447.31207	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	448.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05340	1.3
64.90089	1.6
65.15829	1.3
69.03424	14.3
71.04986	8.0
78.03455	3.1
81.03420	22.5
85.02902	19.4
88.25434	2.0
90.59074	1.6
97.02883	9.9
99.04459	7.4
106.02916	75.1
109.02885	26.1
111.37284	1.6
123.04436	1.8
124.03949	100.0
124.48568	1.7
127.03900	16.4
140.03419	27.3
152.07072	3.5
213.30806	1.6
214.38188	1.6
250.07028	13.9
268.08170	38.0
286.09158	8.1
293.10651	1.7
394.11310	16.1
412.12296	6.5
430.13394	34.8
448.13797	13.0
448.26706	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	448.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53195	0.9
53.03951	1.0
55.01862	4.4
61.02902	1.0
68.08603	0.9
69.03442	12.1
69.03755	1.7
71.04971	2.1
72.08141	1.8
73.02893	3.5
78.03447	6.5
81.03416	14.3
85.02913	13.7
86.09686	1.8
97.02888	19.3
99.04456	22.0
106.02915	75.9
109.02877	29.3
115.03917	1.3
123.04408	4.4
124.03951	100.0
127.03917	28.4
133.31302	1.0
134.06052	1.0
145.04926	2.0
147.04405	1.5
152.07062	1.1
170.08136	1.1
177.01978	1.0
196.06163	0.9
200.87436	0.9
209.46368	0.9
231.09081	1.0
250.07069	14.6
264.26367	1.0
268.08157	58.0
269.05499	2.0
286.09213	30.1
394.11285	4.1
430.13373	15.9
448.09134	1.6
448.14029	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	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
57.03423	1.0
57.38726	0.9
69.03426	11.8
70.26193	1.0
71.04978	2.0
71.51483	0.8
72.08144	1.0
73.02900	0.8
75.14656	0.8
78.03445	5.9
80.16610	0.9
81.03421	24.1
84.08138	1.3
85.02893	11.3
96.31142	0.8
97.02879	14.9
99.04449	5.1
106.02917	79.3
109.02876	27.9
124.03947	100.0
127.03918	14.5
136.06088	1.1
140.03419	7.1
147.04431	1.2
166.05017	1.5
226.06967	1.1
232.06137	1.3
250.07117	18.9
251.04324	1.2
268.08148	42.5
269.05499	1.7
286.09225	9.2
394.11380	5.7
412.12476	11.1
413.18286	1.0
430.13403	33.3
448.14331	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.01870	0.7
69.03419	1.9
78.03472	0.9
79.05471	0.6
80.05013	0.4
81.03418	0.8
81.07076	0.9
85.02896	0.8
91.05496	0.6
92.18524	0.8
93.07056	0.8
95.08594	0.9
95.14540	0.4
97.02861	0.7
99.04450	0.4
99.89351	0.4
103.05471	14.9
105.07028	12.9
105.36599	0.5
106.02917	10.9
107.08598	0.6
109.02862	1.8
109.06506	0.5
109.10144	0.6
115.03931	0.9
119.08545	0.5
124.03047	0.9
124.03953	24.9
127.03863	0.5
131.04926	100.0
133.06487	21.9
133.10098	0.5
137.05974	29.9
145.10152	0.5
149.31126	0.4
163.07539	17.9
165.09096	11.8
173.09496	0.5
183.10107	0.7
233.15372	0.4
238.07173	1.5
238.26810	0.4
249.54875	0.4
276.26862	0.4
284.07666	4.6
286.09244	2.2
302.18567	0.5
430.30261	1.7
448.16022	27.3
448.31281	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	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.99797	0.5
57.03449	0.6
68.67653	0.6
69.03422	6.2
79.05482	2.9
81.03414	8.7
84.17384	0.6
84.47331	0.6
85.02904	11.7
95.04957	2.2
97.02876	6.9
97.48456	0.6
99.04447	2.6
105.03392	100.0
108.82279	0.6
109.02873	12.4
120.32278	0.5
123.04425	15.2
127.03919	8.7
145.04935	1.1
184.69113	0.5
194.90945	0.7
231.06606	5.0
249.07541	16.8
267.08612	43.2
406.66379	0.6
431.15601	1.2
448.18164	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	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22663	1.4
69.54646	1.5
77.43951	1.6
85.36125	1.6
123.54347	1.7
132.04420	3.6
216.11308	2.5
230.09306	6.9
233.05063	1.6
244.07037	1.5
259.11862	100.0
284.11441	9.2
301.14166	1.9
302.12509	35.0
406.17044	15.7
448.19370	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	6.8
62.67144	0.5
69.07043	3.5
70.07394	0.9
72.08155	11.1
79.05506	0.6
81.07045	1.9
88.07614	2.4
90.09188	24.8
95.08607	1.4
102.09132	1.0
105.07018	0.7
106.02921	0.7
107.04949	5.6
107.08540	1.2
109.10149	5.5
110.10443	2.4
110.55642	0.6
119.08555	0.8
121.10079	0.8
121.86346	0.5
127.52647	0.5
131.38824	0.5
132.10167	0.7
133.10078	0.7
135.08046	52.4
135.84875	0.5
136.06122	2.4
145.10136	1.2
147.08035	0.8
161.09526	1.2
165.05528	0.6
173.09593	4.7
174.09830	0.7
181.10022	0.6
191.10629	5.4
194.11743	1.3
209.11708	13.6
222.43068	0.5
233.15402	0.8
251.16484	0.7
265.15869	0.7
283.16904	1.1
284.17148	3.2
301.17941	10.1
302.18292	18.6
328.19482	0.5
356.22830	0.8
360.89261	0.5
412.29260	14.0
430.30255	8.1
430.72781	0.6
448.26727	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	448.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	6.8
62.24213	0.3
72.08157	9.2
84.08128	0.6
88.07622	2.0
90.09187	21.5
102.09174	1.8
107.04939	2.3
130.12248	0.5
134.68442	0.4
135.08049	44.8
138.99771	0.3
152.49814	0.4
161.09624	0.9
170.25266	0.4
173.09628	3.9
189.25665	0.4
191.10634	3.5
209.11729	15.1
215.14571	0.4
399.59702	0.4
404.24518	0.5
448.26910	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	448.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28761	0.3
58.06607	5.8
70.06539	0.5
72.07784	0.6
72.08152	10.6
88.07625	3.1
88.08076	0.4
90.09190	19.8
95.09827	0.4
102.09174	1.9
107.04933	2.1
127.58147	0.4
135.08049	51.9
146.27260	0.4
151.05458	0.4
154.86440	0.4
161.09685	0.6
173.09613	2.5
191.10619	3.3
209.11720	16.5
287.14029	0.4
404.24051	0.5
448.26917	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	448.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	6.2
61.15902	0.4
63.71185	0.4
72.08155	9.1
84.08129	0.8
88.07616	2.7
90.09189	23.0
94.95927	0.5
102.09190	1.7
107.04947	2.3
135.08049	49.6
161.09583	0.9
169.40912	0.5
173.09708	2.8
191.10649	3.3
209.11710	14.0
224.35938	0.4
346.50977	0.4
367.49484	0.5
404.24030	0.5
448.26913	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	448.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52393	2.6
62.72332	2.7
64.26565	2.8
92.66093	3.3
93.63503	3.5
101.47522	2.8
107.47870	3.2
134.31947	3.8
135.79460	3.3
136.73515	3.3
150.06761	14.4
151.07536	100.0
155.97046	3.3
189.09062	4.3
191.10693	13.8
262.14969	3.6
307.75333	3.5
412.33475	5.9
430.34460	43.0
448.35046	25.7
464.87418	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	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
54.46599	0.2
68.54275	0.1
82.66718	0.2
121.81010	0.2
135.04445	0.2
153.01773	0.3
225.33748	0.2
287.05493	100.0
378.85208	0.2
449.10773	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	449.1081
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
62.80235	1.2
67.81368	1.2
71.13873	1.4
72.08182	1.4
74.00652	1.5
76.03994	1.9
84.04502	7.0
84.16797	1.2
85.02896	2.0
92.01720	2.6
99.05577	22.4
109.95835	1.5
119.25890	1.3
121.02863	20.4
123.04388	2.2
124.03976	2.8
127.05040	6.3
130.04994	19.0
131.04564	2.3
137.06055	2.3
145.06088	23.9
145.37964	1.2
147.04399	6.9
153.06569	2.2
177.03275	17.0
178.01665	1.6
181.06047	1.5
190.46236	1.2
194.83981	1.5
199.07150	5.4
271.06296	1.9
274.10367	6.7
283.05984	6.6
286.04703	2.3
287.05569	4.8
297.07608	2.0
299.05496	81.9
300.06244	2.6
306.07587	6.7
311.05493	16.2
313.06989	7.3
320.12781	6.3
325.03528	2.1
325.07047	14.0
327.05026	1.4
329.06555	100.0
335.82455	1.5
339.08719	15.0
341.06607	2.5
349.07077	2.3
353.06543	28.1
365.06384	10.8
367.08090	2.2
377.06546	7.2
383.07584	12.3
395.07684	12.5
413.08691	16.8
416.18909	1.4
431.09488	20.7
431.14087	1.5
449.10718	76.8
449.16696	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	449.108
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
57.03421	0.3
61.02908	1.3
64.91288	0.3
69.03425	3.0
71.04978	0.4
75.41158	0.3
76.87865	0.3
77.79617	0.3
81.03403	1.5
82.76347	0.3
85.02898	9.8
91.03899	0.3
92.18501	0.4
97.02886	3.5
99.04469	0.4
105.07001	0.6
109.02906	0.7
116.22733	0.3
127.03919	0.6
145.04909	1.2
151.07449	0.4
175.99892	0.3
216.35347	0.3
255.51834	0.3
269.12015	0.3
287.05478	100.0
311.16379	0.4
449.21356	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	449.108
Annotation	Quercitrin
Peak:m/z	Relative Intensity
51.62596	0.3
57.03450	2.6
57.03657	0.3
64.80755	0.3
67.05481	0.3
69.03416	0.4
71.04992	20.1
73.02885	0.4
75.04469	0.6
81.07066	0.4
85.02905	21.3
87.04465	0.4
88.82558	0.3
89.52615	0.3
91.05449	0.7
93.07037	0.4
95.08607	3.6
99.04438	0.4
107.08568	0.5
109.10230	0.4
113.09644	2.4
119.08543	0.4
121.02848	0.4
121.06473	0.4
122.04610	0.3
123.04363	0.5
126.40833	0.3
129.05463	4.5
133.06522	0.3
137.02333	0.5
137.05937	1.8
149.05957	0.6
151.07439	0.4
161.06001	0.5
163.07474	0.4
165.01801	0.4
175.07506	0.4
224.38907	0.5
229.04996	0.6
234.06032	0.5
254.02782	0.4
257.04416	0.5
269.21030	0.8
271.09399	0.5
287.05649	0.4
287.22391	0.4
303.04984	100.0
317.13806	0.8
345.06021	0.5
413.08453	0.6
418.97006	0.4
449.10516	1.4
449.17017	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	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80194	0.2
52.66497	0.2
55.27208	0.2
57.03439	0.5
61.02909	1.0
69.03426	1.8
71.04988	0.3
74.26725	0.2
81.03403	1.0
85.02904	8.0
86.06387	0.2
87.04436	0.3
91.03934	0.4
97.02888	2.7
99.04438	0.3
109.02872	0.9
127.03926	1.4
145.04929	1.2
153.01831	0.4
165.01767	0.4
269.17133	0.2
276.64783	0.2
283.61920	0.2
287.05481	100.0
416.27399	0.2
452.46704	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	449.1083
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
51.56288	0.2
67.59531	0.2
68.40903	0.2
69.03394	0.3
69.07019	0.3
71.19510	0.2
79.05441	0.2
80.04618	0.2
81.03386	0.3
81.07017	0.4
85.02888	1.1
90.33636	0.2
105.06966	0.3
107.08599	0.3
109.02756	0.3
109.06490	0.3
109.10149	0.3
111.08082	0.3
121.06488	0.3
121.10083	0.3
123.08022	0.3
131.08545	0.3
133.10135	0.5
135.07994	0.3
137.05943	0.5
137.09543	0.2
142.39922	0.2
145.04820	0.2
149.09579	0.3
153.01738	0.4
154.81133	0.2
161.09541	0.5
166.98512	0.3
183.11703	0.3
198.74129	0.3
213.12682	0.3
225.12630	0.2
231.82999	0.2
287.05490	100.0
293.15363	0.4
297.07516	0.6
311.16327	0.4
317.06598	1.6
389.19601	0.4
407.20795	1.2
431.14987	0.3
449.10791	33.3
449.21548	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	449.1233
Annotation	Artonin P
Peak:m/z	Relative Intensity
58.07522	0.5
59.34118	0.6
61.55181	0.6
81.07058	0.8
93.07029	1.5
105.03366	1.4
109.10204	1.0
121.10101	1.2
133.15178	0.7
135.04420	31.9
203.06920	1.0
211.11284	0.7
264.23953	0.6
285.04065	2.7
293.15405	1.2
297.07471	1.1
297.14923	1.1
358.08350	14.8
374.07690	7.8
387.08441	1.1
389.10181	5.9
390.07300	13.7
417.09631	12.9
417.41086	0.7
431.15060	1.6
431.25674	7.5
435.10715	13.8
447.75372	0.9
449.12216	100.0
449.26514	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	449.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78610	0.8
68.60847	0.9
84.04504	26.0
101.07113	4.1
123.04437	11.0
130.04993	71.1
139.03893	6.9
147.04399	2.3
147.07640	74.6
151.03893	31.2
163.03897	4.1
165.05493	5.8
177.01921	1.1
181.04977	2.4
193.05008	3.9
215.06956	1.3
241.03104	1.1
245.04012	1.0
260.12183	2.1
283.99091	1.0
303.08606	21.1
303.12015	1.8
437.43317	1.0
449.16205	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	449.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78766	1.8
59.04987	3.5
69.03432	2.9
72.08157	2.4
80.18090	2.2
84.04496	11.4
85.02901	3.1
101.07132	3.2
106.02899	4.5
111.05554	13.2
123.04417	39.2
123.05528	8.9
124.03964	4.1
127.03866	3.1
129.05475	9.0
130.04994	60.1
130.05875	3.9
137.05977	3.9
139.03915	21.6
141.06578	46.1
147.04422	18.5
147.07629	81.1
151.03900	87.4
153.05544	2.7
154.15244	2.2
159.07655	16.6
163.03899	10.1
165.05492	14.5
173.05936	3.5
175.07538	3.2
176.98500	2.6
177.05553	2.8
181.04936	14.1
193.05008	10.8
200.11707	2.2
203.03445	2.4
207.06599	5.0
236.11905	2.0
239.33038	2.4
257.38068	2.5
285.07642	5.2
303.08621	100.0
303.11902	4.7
353.56091	2.3
449.09088	8.6
449.16815	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78766	1.8
59.04987	3.5
69.03432	2.9
72.08157	2.4
80.18090	2.2
84.04496	11.4
85.02901	3.1
101.07132	3.2
106.02899	4.5
111.05554	13.2
123.04417	39.2
123.05528	8.9
124.03964	4.1
127.03866	3.1
129.05475	9.0
130.04994	60.1
130.05875	3.9
137.05977	3.9
139.03915	21.6
141.06578	46.1
147.04422	18.5
147.07629	81.1
151.03900	87.4
153.05544	2.7
154.15244	2.2
159.07655	16.6
163.03899	10.1
165.05492	14.5
173.05936	3.5
175.07538	3.2
176.98500	2.6
177.05553	2.8
181.04936	14.1
193.05008	10.8
200.11707	2.2
203.03445	2.4
207.06599	5.0
236.11905	2.0
239.33038	2.4
257.38068	2.5
285.07642	5.2
303.08621	100.0
303.11902	4.7
353.56091	2.3
449.09088	8.6
449.16815	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44493	1.2
54.78145	1.1
61.63119	1.1
62.69218	1.1
64.90423	1.1
68.67598	1.2
72.39797	1.2
84.04506	15.8
86.09682	1.8
97.70126	1.3
101.07116	2.2
107.06690	1.2
119.05013	1.4
123.04418	27.0
130.04987	39.9
139.03917	17.6
147.04425	10.3
147.07643	52.7
151.03902	69.7
153.05437	2.6
163.03848	7.3
165.05510	14.2
173.05986	3.4
181.04906	12.7
187.07370	1.6
192.07358	1.5
193.04955	9.2
207.06444	2.8
238.71751	1.5
259.11899	7.8
260.12244	14.9
262.48041	1.3
266.20129	1.3
285.07513	6.4
302.12366	1.9
303.08609	100.0
303.12460	5.8
407.17361	1.7
434.43216	1.6
449.08475	2.6
449.14862	10.6
449.19632	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	449.165
Annotation	Trp Glu Asp
Peak:m/z	Relative Intensity
59.10984	0.4
63.75969	0.5
84.04505	8.1
101.07126	0.7
123.04417	3.4
130.04999	23.4
139.03885	1.3
147.04446	0.9
147.07639	24.2
151.03908	10.7
163.03923	0.8
165.05467	1.0
181.04941	0.7
187.72054	0.6
193.04860	0.6
194.93118	0.6
282.54364	0.6
303.08496	6.4
449.16260	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	449.163
Annotation	Trp Glu Asp
Peak:m/z	Relative Intensity
56.61856	0.5
60.88677	0.5
69.11584	0.6
70.84861	0.6
80.59888	0.6
89.24070	0.6
189.28125	0.6
265.70041	0.7
296.33890	0.5
330.50085	0.6
343.58368	0.6
413.28351	0.6
449.16257	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	449.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82002	0.8
56.06693	0.8
58.40485	0.7
62.39115	0.8
84.08100	0.9
85.02852	2.3
92.18398	0.8
114.10748	0.8
121.25611	0.8
136.07565	1.2
136.64182	0.9
151.03896	4.4
163.04004	1.5
287.05478	3.5
430.19751	1.0
449.15225	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	449.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27560	0.9
52.75859	0.8
57.03452	1.5
61.02916	1.8
63.74515	0.9
69.03430	18.8
70.06577	1.3
71.23322	0.9
72.92775	0.9
79.05487	5.1
81.03405	5.8
83.04977	4.2
85.02901	18.2
92.18510	1.2
95.04984	1.5
97.02890	4.3
99.04478	2.4
105.03387	100.0
109.02865	5.9
111.04432	2.5
123.04414	23.1
127.03892	6.0
129.05461	4.1
137.08353	1.0
147.06500	4.1
154.39561	1.0
165.07553	2.4
183.08640	11.0
185.03674	1.0
231.94298	1.1
241.84465	1.1
249.07516	5.7
267.08621	33.5
274.05792	1.1
440.59262	1.1
449.09332	2.0
449.16086	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	449.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85409	1.7
50.86851	1.6
56.05043	2.0
58.02953	1.7
73.02914	2.9
74.00623	1.9
76.03989	12.9
78.45903	1.7
84.04502	24.7
85.02914	3.7
87.06741	1.8
88.03967	3.6
92.01712	8.8
99.05578	100.0
112.03922	8.3
126.86563	2.3
127.05025	20.5
130.04089	3.6
130.04997	69.7
131.04514	12.1
134.09668	2.9
135.00798	2.3
135.05461	2.3
136.03947	3.1
137.05972	22.8
139.29198	1.8
145.06075	87.4
153.06612	14.8
160.00574	2.5
161.06013	2.1
163.03935	2.7
177.03281	45.8
178.01691	3.3
181.06120	8.0
195.04341	3.4
199.07132	17.4
203.07018	2.2
209.49541	2.0
274.10306	33.4
288.06577	4.2
306.07532	19.5
320.12625	14.2
449.07922	2.4
449.11252	2.1
449.16791	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51044	0.6
53.42926	0.5
53.44788	0.7
71.53082	0.6
74.16052	0.7
85.76695	0.6
97.02868	0.9
103.69189	0.7
105.94084	0.6
126.59378	0.7
285.60965	0.9
287.05585	16.2
287.12506	71.4
449.17767	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	449.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
61.79010	0.7
65.26814	0.7
69.03428	1.0
72.00706	0.8
77.03928	1.7
79.05489	1.6
81.03428	3.3
81.07040	0.8
91.05460	3.0
92.35718	0.7
93.07022	5.3
95.04964	10.1
95.08614	1.7
105.03394	100.0
105.04491	2.8
105.07029	5.5
107.08587	3.3
109.06516	1.6
109.10134	1.0
117.06979	1.2
119.08569	4.1
121.06514	3.9
121.10146	1.4
131.08572	1.3
133.06516	6.3
135.08070	3.8
137.06009	1.0
143.08553	1.7
145.10114	1.8
147.08035	3.0
149.05974	3.6
149.09612	4.8
151.07574	1.0
157.10092	2.0
159.08040	3.3
161.09648	3.9
165.06955	1.0
169.10039	1.4
171.08028	3.7
171.11601	1.0
173.09676	1.1
175.07538	1.2
177.09074	1.7
177.78227	0.9
183.08014	0.9
183.11682	1.6
187.07550	0.9
187.11142	0.9
189.09160	1.0
191.10742	1.4
193.10149	1.2
195.11697	1.3
196.12547	1.2
197.09470	1.8
199.11256	1.4
201.09055	1.2
206.10991	1.8
207.11763	2.8
209.09482	1.4
210.10269	1.4
211.11174	3.1
211.14824	1.3
220.12404	0.9
221.13144	2.5
223.11217	0.8
224.11903	1.4
225.09029	0.9
225.12689	1.3
227.14163	0.9
230.10997	1.4
230.37152	1.0
233.09612	1.0
235.14859	3.4
237.12779	1.2
239.10562	1.2
239.14267	1.6
248.11958	1.4
253.16025	1.3
263.14249	4.8
267.13715	1.3
279.07104	0.9
281.15387	4.5
291.13736	1.7
299.16428	3.9
309.14737	8.4
327.15955	8.6
359.52640	0.9
427.02301	0.9
431.18399	1.1
449.19601	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28634	0.8
52.35424	0.8
57.02565	0.8
57.74955	0.7
60.81791	0.9
60.95274	0.7
77.03915	1.4
79.05461	1.2
81.03427	1.0
81.07040	1.6
91.05457	3.2
93.07031	5.5
95.04964	6.6
95.08591	1.1
105.03396	100.0
105.04494	3.0
105.07009	8.8
107.04911	1.0
107.08577	1.5
109.06502	1.4
109.10124	1.3
119.08562	5.7
121.06486	5.0
121.10127	3.9
123.08005	1.1
131.08577	1.8
133.06459	6.3
133.10123	1.1
135.08075	1.8
143.08525	1.2
145.10176	1.8
147.08031	3.7
149.05940	1.6
149.09627	4.7
151.07521	2.0
155.08578	1.4
157.10136	1.7
159.08076	3.8
159.11670	1.2
161.09628	2.2
169.10056	1.6
175.07442	1.4
177.09149	4.7
179.08557	0.9
180.09358	1.1
183.11772	1.4
185.09628	1.3
187.07558	1.3
189.09129	1.3
191.10721	1.6
193.10115	2.0
195.11717	3.2
196.08904	1.3
197.09691	1.6
197.13319	1.1
205.10150	1.5
206.10890	1.0
207.11661	1.4
209.09700	1.6
209.13290	1.4
211.11136	1.4
221.13181	3.5
223.11147	1.0
227.14450	1.0
229.12201	1.2
237.12810	1.6
239.14375	2.2
249.12749	1.1
253.15897	1.5
255.13821	1.7
263.14319	5.3
267.13800	1.2
281.15350	4.3
291.13754	4.2
299.16409	2.0
309.14767	8.0
327.15836	8.8
431.18735	1.0
446.03320	1.0
449.19574	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15822	1.4
69.03434	2.1
75.57120	1.6
79.05499	1.7
91.05452	1.7
91.63587	1.5
95.04951	8.8
95.08596	1.8
96.02331	1.4
105.03392	100.0
105.07016	2.7
107.08598	3.0
107.99609	1.6
119.08588	2.6
121.06454	6.5
121.10124	3.5
131.08606	2.0
133.06505	1.7
133.10139	2.1
143.08562	2.5
145.10066	1.6
147.08054	2.4
149.09630	3.2
151.07715	1.6
157.10068	1.7
159.08069	6.3
161.09619	3.3
169.10091	2.8
171.08015	2.3
173.09590	2.7
177.09085	2.3
179.08572	2.3
181.10062	2.3
183.07928	2.0
183.11732	3.2
189.09091	1.9
191.10648	1.7
192.09210	1.9
195.11609	2.0
196.08920	2.1
197.09586	5.8
207.11726	2.7
209.13177	1.6
211.14862	1.9
217.10158	1.5
220.12477	3.4
221.13257	1.7
223.11211	7.9
227.10678	2.0
230.11093	1.6
231.23720	1.8
233.09691	1.5
235.14844	1.9
237.12810	2.0
239.14201	2.2
248.11969	2.3
253.15854	3.2
263.14374	12.1
263.17142	1.5
265.16092	1.7
280.14511	1.9
281.15359	9.9
291.13791	2.8
299.16638	2.9
309.14761	12.1
327.15787	22.0
378.94077	1.8
423.37759	1.5
449.19455	21.0
450.18280	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	449.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.70197	0.6
57.82334	0.7
67.05509	1.3
69.03432	1.0
69.07036	1.0
77.03948	0.9
78.18830	0.7
79.05482	1.3
81.07070	1.5
83.15131	0.8
85.02909	1.4
91.05463	4.0
93.07033	5.2
95.04960	9.6
95.08601	1.2
105.03394	100.0
105.04528	4.0
105.07053	8.7
106.10342	0.7
107.08595	5.1
109.06525	4.0
109.10137	5.3
117.06925	0.8
119.08582	3.0
121.06486	6.5
121.10142	4.4
123.08032	1.8
126.12109	0.9
131.08577	1.4
133.06509	6.1
133.10130	4.3
135.04416	0.9
135.08057	3.6
135.11720	1.4
143.08560	2.9
145.06509	0.9
145.10083	4.9
147.04372	0.9
147.08031	3.5
149.05951	1.7
149.09607	4.8
150.21155	0.9
151.07498	1.9
155.08507	1.0
157.10121	3.0
159.08046	3.2
159.11656	1.7
161.09633	3.8
163.11153	1.0
169.10106	1.8
171.08011	1.2
171.11694	1.2
173.09648	1.6
175.07440	1.3
177.09137	3.6
183.11694	1.5
185.09641	1.5
187.07487	0.9
187.11176	0.8
191.10623	5.4
193.10127	1.7
195.11745	1.4
197.09616	1.7
197.13321	0.9
199.11200	4.1
201.12627	0.8
206.10928	0.9
207.11717	1.0
209.09686	1.3
209.13248	1.1
211.11214	1.7
213.12788	0.9
221.13300	1.2
223.11253	2.8
224.11884	1.2
225.12753	1.5
227.10623	0.9
227.28442	0.9
229.12193	1.4
235.14812	1.1
237.12619	1.3
239.10759	0.9
239.14195	2.5
239.30530	0.8
248.11987	1.8
249.12741	0.9
253.15816	2.7
255.13831	1.6
263.14282	1.7
265.12387	0.9
265.98947	1.0
267.13815	1.5
269.15359	1.0
281.15253	6.9
299.16364	1.4
309.14951	7.4
309.17993	0.8
327.15839	12.1
389.19492	1.7
407.20709	3.3
449.19547	25.2
449.32587	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	449.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03960	1.2
60.77278	1.1
67.05507	1.4
69.03413	5.1
73.06257	0.9
77.03944	1.7
78.89473	1.1
79.05491	4.3
81.03427	2.8
81.07069	2.0
85.02908	2.1
90.49208	1.0
91.05471	7.4
93.07052	8.3
95.04957	11.9
95.08607	4.9
97.02859	1.5
97.06541	1.7
103.37438	1.1
105.03396	100.0
105.04513	5.0
105.07046	14.0
107.04911	1.5
107.08576	6.8
109.06540	1.5
109.10143	2.8
119.08585	11.6
121.06499	10.6
121.10165	5.6
123.08029	2.0
131.08582	5.7
133.06474	12.0
133.10112	6.9
135.08011	7.8
137.05974	1.7
143.08543	4.2
145.06497	2.2
145.10130	6.3
147.08076	7.7
149.05963	1.4
149.09607	5.9
151.07512	2.0
155.08569	2.5
156.09402	1.4
157.10077	4.6
159.08066	7.8
159.11674	2.0
161.05960	2.1
161.09598	6.9
169.10115	6.0
171.08124	1.8
171.11697	2.7
173.09563	2.8
175.07471	4.0
175.11407	1.3
177.09038	4.8
179.08578	1.2
181.10030	2.6
182.08447	1.2
183.08044	1.5
183.11690	6.8
185.09648	1.9
187.07530	1.5
187.11259	1.9
189.09164	1.6
189.12656	1.8
191.10742	4.5
193.10132	2.1
195.11685	4.8
197.09598	4.6
197.13307	1.9
199.11151	2.4
206.10837	2.6
207.11662	2.8
209.09628	2.7
209.13327	1.2
210.10199	1.6
211.11176	5.4
211.14862	1.9
220.12425	2.3
221.13281	2.3
222.10403	1.3
223.11147	4.5
223.14807	1.9
225.12849	5.2
225.50102	1.4
232.12431	2.3
235.14787	4.8
237.12744	4.7
237.16473	1.1
239.14349	5.9
247.14890	1.6
248.11896	1.5
249.12811	4.3
249.90881	1.2
250.13542	2.1
251.14279	2.6
263.14297	12.1
265.15924	2.4
267.13635	1.9
281.15381	7.1
291.13913	1.6
293.15390	2.1
299.16602	1.8
309.14868	11.3
311.16522	2.6
327.15826	12.8
329.17361	2.5
388.07556	1.2
389.19556	7.5
449.19565	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
53.90124	0.6
55.58854	0.6
64.44248	0.8
67.05505	1.3
79.05492	1.5
81.03402	1.1
81.07066	1.6
91.05451	3.7
93.07034	5.2
95.04956	8.8
95.08578	2.0
105.03392	100.0
105.04506	2.7
105.07033	6.3
107.08568	2.9
109.06514	1.8
109.10117	1.2
119.08559	7.2
121.06475	4.1
121.10162	3.6
123.08083	1.4
127.30369	0.9
129.06978	0.9
131.08571	1.7
133.06487	4.8
133.10115	1.8
135.04434	1.2
135.08075	4.3
142.28325	0.9
143.08530	1.0
145.06503	1.2
145.10115	1.9
147.08089	3.6
149.05957	1.3
149.09619	3.5
151.07582	3.1
155.08582	0.9
157.10094	1.7
159.08057	3.1
161.05994	1.0
161.09644	1.4
169.10139	1.9
171.08084	1.8
171.11743	1.6
173.09619	1.9
175.07553	2.0
177.09123	3.3
183.08118	1.1
183.11679	1.6
185.09637	1.5
191.10765	1.7
195.11720	1.7
197.09605	1.6
197.13083	0.8
197.45451	0.8
199.11266	1.9
201.09100	1.1
206.10924	1.4
209.09666	0.9
210.64880	1.1
211.11124	2.0
211.14841	1.1
213.12782	1.4
220.12491	0.9
221.13347	1.7
223.11230	1.7
225.12654	1.0
230.10919	1.1
233.09526	1.2
235.14934	4.2
239.10678	1.0
239.14291	1.6
248.11858	1.4
249.12695	1.5
255.13889	1.3
263.14243	7.0
267.13733	3.5
281.15430	5.1
285.14706	1.0
291.13812	1.1
297.14804	1.7
299.16394	1.0
309.14807	7.3
327.15836	10.8
431.26184	6.5
449.12726	2.8
449.19528	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	449.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05502	0.7
64.15945	0.8
79.05449	1.1
82.77700	0.8
91.05518	2.6
93.07037	6.7
94.71284	1.0
95.04946	9.0
95.08582	1.6
97.06505	0.9
105.03389	100.0
105.04494	3.2
105.07033	6.9
107.08557	3.7
109.06532	1.8
119.08549	1.6
121.06489	4.0
121.10118	2.1
131.08513	1.3
133.06502	4.1
133.10106	3.9
135.08046	1.9
143.08578	3.6
145.06436	1.9
145.10103	1.5
147.08017	4.2
147.94171	0.9
149.05992	0.9
149.09608	3.6
151.07518	1.9
155.08400	1.0
156.09280	1.1
157.10071	1.5
159.05281	0.9
159.08060	4.6
161.09607	3.9
167.08435	1.2
169.10147	1.7
171.07878	1.1
171.11678	1.0
173.09615	1.7
175.07556	1.7
175.11159	0.9
177.09096	1.7
181.10139	1.7
183.11661	1.9
185.09590	1.8
187.07501	0.9
187.11234	1.1
189.09050	0.9
193.10147	2.1
195.11732	3.3
196.12321	1.3
197.09676	1.9
197.13139	1.7
199.11128	3.3
205.75955	0.9
209.09697	1.5
209.13327	1.9
211.11217	4.8
211.14854	1.5
213.09250	1.2
213.12883	1.1
215.10638	1.1
221.13257	1.2
223.11243	3.3
224.11937	1.1
225.12726	1.9
227.10712	1.9
237.12721	1.5
239.10614	1.5
239.14351	3.3
241.12366	1.5
245.01973	0.9
248.12175	0.9
249.12743	1.2
253.12317	3.0
253.15936	1.6
255.13789	1.3
257.15253	1.2
265.15768	3.2
267.13675	1.6
268.10580	1.0
269.15283	1.2
281.12341	1.0
281.15332	5.4
283.13297	1.8
283.16748	1.6
285.14832	1.6
293.15396	1.8
299.16122	2.9
309.14767	8.6
311.16513	3.9
327.15921	11.8
329.17496	1.7
347.18774	1.0
389.19348	1.7
449.19589	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	449.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00858	4.2
55.05502	7.1
55.36859	4.5
55.83694	5.5
57.03426	6.8
59.45821	5.4
59.90497	4.7
61.35756	4.8
67.05500	22.9
68.87318	6.3
69.03431	7.4
71.04984	6.2
76.54383	5.4
77.14252	5.3
79.05478	8.9
81.07053	11.3
83.01965	4.9
90.81031	5.2
91.05457	21.8
93.07040	45.5
95.04964	25.3
95.08607	23.9
99.95384	5.7
105.03398	81.2
105.07021	62.7
107.04938	10.1
107.08596	49.8
109.06493	34.3
109.10098	9.4
111.04472	6.2
111.08085	30.4
117.06982	19.9
119.04993	9.4
119.08566	31.7
121.06491	43.1
121.10123	28.1
123.08071	34.1
125.05997	6.5
125.09632	12.8
129.06993	23.3
131.08574	48.6
133.06488	40.7
133.10136	22.7
135.08038	38.7
135.11633	9.5
137.06000	7.9
137.09668	5.5
141.36340	5.1
143.08572	37.7
145.06519	23.1
145.10121	33.0
147.08028	34.0
149.06038	6.8
149.09619	22.6
151.07513	12.5
153.09077	19.2
155.08553	19.8
157.06407	6.6
157.10144	46.7
159.08040	47.2
159.11696	6.3
161.06013	6.8
161.09608	24.7
163.07515	6.4
163.11182	6.2
165.07042	6.2
166.84787	5.1
167.08586	6.9
169.10135	20.6
171.08017	7.7
171.11700	25.1
172.08806	5.3
173.09637	12.8
177.09108	11.1
178.07623	5.3
179.08603	8.4
180.09375	20.8
181.10118	29.4
183.07997	11.0
183.11705	9.5
185.09566	12.9
187.07588	6.9
187.11218	6.5
191.10715	5.6
193.10167	11.5
194.11014	11.1
195.11674	42.6
197.09689	11.1
197.13330	6.9
199.07613	9.6
199.11165	31.6
199.14853	8.6
201.12680	8.6
203.10655	6.5
205.10184	6.1
207.11690	9.2
208.08778	9.7
208.12381	8.3
209.09610	21.5
209.13287	8.5
211.11116	6.5
213.09129	11.6
213.12738	24.3
213.16441	8.8
215.14449	6.3
217.10135	6.8
221.13042	5.6
223.11201	27.9
223.14859	23.3
225.12660	10.3
227.10727	8.4
227.14253	23.9
235.11050	5.4
237.12755	7.5
237.16399	8.8
241.12138	9.5
241.15923	10.8
247.14844	8.0
251.10541	8.1
255.17455	8.9
265.15878	28.6
267.13770	8.5
269.11652	9.7
269.15375	27.9
283.16864	34.5
285.15027	7.0
287.13162	7.1
287.16391	30.1
293.15475	34.9
293.72626	5.9
301.18042	8.5
311.16434	51.1
327.16010	9.3
328.84326	5.5
329.17426	88.4
346.71362	6.1
347.18555	10.3
389.19543	25.6
414.95062	7.8
449.21619	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	449.2168
Annotation	alpha-Caesalpin
Peak:m/z	Relative Intensity
53.24680	6.1
53.57775	7.0
62.10416	7.4
69.03425	11.6
69.07079	14.3
79.05483	12.1
81.07051	16.0
83.04977	34.6
91.05482	9.9
95.04959	12.4
95.08575	9.0
95.91267	8.0
97.06510	33.0
102.06204	7.3
105.03384	33.8
105.07019	32.8
107.08572	16.8
119.08547	13.5
121.06500	15.2
123.08062	35.9
129.06973	11.2
131.08537	15.4
133.06479	29.6
133.10109	12.4
137.06175	6.9
143.08553	64.9
145.06494	12.3
145.10150	35.1
147.08026	39.4
149.09583	9.7
151.07550	10.5
152.23027	8.1
155.08574	29.2
157.10083	29.3
159.08101	23.2
159.11703	10.3
161.09613	37.9
167.08618	15.5
169.10106	40.4
171.08037	39.5
171.11681	18.4
171.13124	7.9
173.09627	43.5
179.08604	17.1
181.10075	57.9
182.10754	7.2
183.08110	11.3
183.11700	28.8
185.09587	41.6
187.11108	14.1
189.09102	9.2
192.09346	13.4
193.10124	31.0
195.11690	33.1
197.09610	49.9
197.13132	10.5
199.11209	49.6
203.10687	33.7
206.10962	17.1
207.11726	36.2
209.09572	14.8
209.13203	11.3
211.11192	30.1
211.14886	13.3
215.10768	12.0
217.12161	28.5
219.10011	10.1
221.13324	16.9
223.14835	18.1
225.12720	34.0
227.10709	10.6
227.14384	9.6
232.12355	10.6
235.11203	12.0
237.16473	10.8
239.14357	31.5
241.15939	9.1
251.14259	34.5
253.12564	8.8
263.14465	16.3
265.15726	10.8
267.13828	11.8
269.15356	15.9
281.15472	10.1
283.16690	8.4
285.14880	9.0
293.15247	27.3
299.16534	9.1
311.16357	62.9
329.17319	69.5
345.16949	10.5
347.18561	14.4
371.18948	9.6
389.19583	50.3
405.19000	17.0
449.21576	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	449.217
Annotation	Longikaurin F
Peak:m/z	Relative Intensity
60.09613	8.0
67.32465	9.1
79.05472	10.6
80.77699	9.1
81.07080	14.0
93.07047	11.2
95.04957	12.9
95.08593	17.3
97.06533	15.9
105.03413	24.6
105.07053	37.4
117.06985	12.1
118.51748	9.6
119.08557	14.4
119.53977	10.0
121.06501	18.8
123.08043	21.9
131.08580	10.5
133.06413	13.3
133.10019	9.6
143.08522	42.4
145.10094	16.0
146.59306	11.3
149.09612	19.8
155.08533	19.9
157.10245	13.0
161.09608	10.6
169.10136	19.5
171.08099	15.2
177.09102	16.8
181.10251	10.0
183.11743	19.6
193.10190	18.8
195.11687	17.9
197.09497	31.8
197.13261	12.2
199.11252	54.0
207.11794	18.6
211.11108	19.5
213.12833	15.6
215.10754	15.3
223.11319	22.1
251.14162	11.0
269.11740	18.2
281.15329	10.9
283.16904	17.1
287.12869	12.1
293.15262	17.6
299.16428	11.0
311.16470	35.0
329.17520	59.5
347.14645	13.0
371.18439	11.5
389.19473	17.1
407.20566	12.9
449.21594	100.0
463.65683	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	449.217
Annotation	CHEBI:70373
Peak:m/z	Relative Intensity
50.27562	3.6
52.84443	3.5
63.52408	4.0
65.88908	3.4
69.03426	5.0
69.07063	6.2
69.50494	3.8
79.05495	6.4
80.93594	4.8
81.07067	7.5
83.28667	4.8
91.05479	8.2
92.17878	9.0
93.07030	28.5
93.41994	4.3
94.99812	4.3
95.04952	30.0
95.08585	6.2
105.03394	100.0
105.07007	36.2
107.08562	8.5
109.06516	17.3
109.10126	7.1
111.90914	5.0
117.07021	16.4
119.04941	4.9
119.08559	20.3
121.06488	35.9
121.10113	7.6
123.08047	10.4
131.08540	21.1
133.06496	20.6
133.10147	35.2
135.08041	17.1
137.05978	6.5
137.09624	25.8
141.07031	5.7
143.08557	10.6
143.59894	4.2
145.06482	5.4
145.10114	16.0
147.08049	20.4
149.09595	17.2
151.07541	4.3
155.08513	6.0
156.09348	5.2
157.10121	21.5
159.08063	18.1
159.11665	5.8
159.29181	5.4
161.09569	32.9
163.07524	7.5
169.10095	9.9
171.11687	7.8
173.09657	8.3
175.07542	5.0
177.09105	4.2
181.10127	17.2
183.11644	4.3
185.09612	20.9
187.07509	7.1
187.11226	5.0
193.10127	17.2
194.10971	6.6
195.11685	10.1
197.09592	6.8
197.13249	9.4
199.11157	10.4
201.12708	7.1
207.11702	21.1
209.09726	5.2
211.11194	16.6
211.14969	5.5
213.08936	4.6
213.12669	8.0
221.13298	7.6
223.11235	20.2
223.14766	6.7
225.12849	6.0
227.10680	6.7
229.12473	4.3
232.12503	6.1
236.12099	5.1
239.14287	6.6
241.12231	6.8
244.18585	4.4
251.14377	7.3
253.15727	6.6
255.13699	4.9
263.14383	9.4
265.15878	15.4
268.14554	6.3
281.15411	6.8
283.16852	35.2
288.03616	4.5
289.14331	5.5
293.15353	18.1
299.16290	7.2
309.15076	8.2
311.16238	33.4
318.86206	5.0
327.15915	19.4
329.17499	27.0
371.18365	17.3
389.19504	25.6
431.20535	20.5
449.20764	64.5
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	Isoasatone
Peak:m/z	Relative Intensity
54.15582	2.1
62.14590	2.4
64.15099	2.3
67.05527	2.6
67.35206	2.4
69.07059	4.1
69.39595	2.4
72.35949	2.2
72.47697	2.2
81.07046	4.0
91.05468	2.6
92.18451	4.6
93.07031	3.6
95.08595	3.5
97.06522	2.5
105.07056	11.2
107.08578	4.8
109.06521	2.8
121.06518	3.1
121.10143	3.1
123.08017	3.4
127.99767	2.5
129.07024	3.6
131.08530	4.7
133.06487	3.2
133.10129	4.0
135.08150	3.3
143.08574	3.6
145.10149	3.3
147.07993	5.1
151.07617	2.7
155.08525	5.8
157.10101	9.8
157.77339	2.8
161.09613	5.4
163.11128	5.4
169.10109	5.4
171.11803	9.5
173.09630	6.0
179.08559	3.1
181.10114	5.9
183.11707	5.7
185.09573	4.4
187.11206	3.9
188.11980	3.7
189.09065	3.2
193.10135	3.7
195.11670	5.6
197.09631	4.5
197.13322	10.7
199.11269	4.2
207.11711	12.1
209.13245	4.0
213.12875	5.1
215.10757	2.9
215.14374	4.0
221.09502	3.5
221.13297	5.2
225.12755	3.6
227.14352	3.3
230.45050	2.7
237.12701	3.2
239.14262	6.5
241.12213	3.2
249.12674	3.1
251.14380	3.6
259.13461	3.0
269.15292	4.8
285.14920	9.8
311.16483	5.9
329.17508	3.4
345.16873	6.0
370.81293	2.8
370.86215	2.9
389.19717	10.8
405.19153	20.9
445.25928	2.6
449.21667	100.0
449.32196	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	449.217
Annotation	Effusanin D
Peak:m/z	Relative Intensity
52.67946	4.9
55.01868	5.3
55.05513	6.2
58.78891	4.9
65.99810	7.1
68.96624	5.7
69.03397	14.0
70.14223	5.2
71.04993	5.8
77.25058	5.2
81.07056	14.7
81.28757	5.3
83.04984	8.0
85.02898	11.0
91.05467	13.6
93.07021	30.5
95.04942	10.9
95.08561	8.7
97.02862	9.5
105.03396	8.3
105.07005	33.3
107.04912	7.3
107.08571	11.7
109.06497	26.4
109.10152	31.4
119.08572	34.1
121.06503	32.3
121.10099	12.3
123.04457	7.3
123.08040	13.7
129.06970	6.4
131.08633	8.6
133.06499	30.5
133.10133	44.3
135.07977	9.5
137.05959	14.9
137.09621	24.1
139.07503	7.2
143.08565	26.9
145.06476	7.2
145.10112	42.0
147.07996	28.3
147.11664	9.8
149.05972	28.2
149.09572	23.9
151.91353	6.2
155.08536	11.4
157.10112	29.2
159.08009	10.9
159.11650	12.4
161.05988	9.3
161.09537	46.4
167.08664	6.7
169.10123	31.6
171.11690	9.8
173.09671	24.7
177.09122	7.6
181.10098	10.9
182.11031	7.3
183.08188	8.3
183.11667	25.8
185.09624	23.6
185.13219	7.6
187.11232	8.3
189.09190	6.7
191.06987	8.4
192.09354	8.9
193.10059	11.9
195.11734	28.9
197.09645	12.1
197.13263	30.8
199.11235	14.2
207.11693	23.6
209.09644	13.2
209.13162	8.4
211.11124	12.5
213.12694	11.1
215.10660	7.2
222.14188	7.4
223.11110	20.8
225.12724	26.1
227.10712	9.1
236.11882	6.5
237.16301	10.4
239.14221	9.9
241.12157	30.2
243.13881	7.6
251.14441	9.3
253.12231	10.2
265.15869	25.1
269.15317	8.2
271.13419	13.2
281.15417	9.6
283.16901	10.5
293.15332	28.5
299.16290	8.0
301.17987	8.3
311.16260	57.8
319.95334	7.9
329.17493	69.5
347.18472	11.3
361.14111	5.5
371.18466	31.6
389.19696	45.5
407.20441	11.3
431.20621	34.0
449.21637	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	449.2167
Annotation	Longikaurin F
Peak:m/z	Relative Intensity
59.90789	6.3
63.15221	6.7
65.38088	6.8
68.09035	6.7
81.03438	11.1
81.07062	12.4
91.05459	14.5
92.17839	9.5
93.07037	14.5
95.08608	7.5
105.03398	11.0
105.07023	51.2
107.08587	31.4
109.06479	8.1
109.10123	11.0
117.06992	8.6
119.04969	8.3
119.08591	33.7
121.02849	47.7
121.06464	12.8
121.10166	12.1
123.08083	7.8
133.06471	34.2
133.10146	30.4
135.08046	9.5
135.11707	10.7
137.09589	16.9
145.06468	8.9
145.10106	9.3
147.08090	10.7
149.09637	13.6
151.07510	10.6
151.11131	9.9
155.08488	11.1
157.10115	15.2
159.08046	10.5
159.11674	15.9
161.05974	9.0
161.09581	13.6
163.11295	8.4
168.09402	8.1
169.10112	11.2
171.08038	12.7
171.11662	34.4
175.11118	10.3
177.09033	13.1
179.08443	13.1
181.10121	11.9
183.11659	14.7
185.13216	9.1
187.11288	15.8
189.12782	8.9
193.10173	10.3
195.11742	17.9
197.09505	11.9
197.13226	11.7
201.12758	8.7
207.11638	12.5
208.12460	8.8
211.11160	14.3
213.12730	16.1
221.88193	6.8
223.11189	15.3
223.14728	9.4
225.09227	10.6
225.12782	12.5
226.13605	8.2
227.10687	9.9
229.12085	9.6
232.12383	9.1
237.12683	11.8
237.16246	8.8
241.12260	11.2
255.13983	8.1
265.15894	32.7
267.13803	10.1
269.15344	33.0
281.15387	8.5
283.16974	35.1
293.15433	48.2
311.16345	69.6
313.14169	7.8
329.17484	57.8
353.16922	9.8
371.18616	77.1
389.19427	34.9
405.09659	47.6
407.20694	67.8
431.20612	15.2
449.08652	36.3
449.21762	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	449.217
Annotation	CHEBI:70373
Peak:m/z	Relative Intensity
51.84097	2.6
55.01873	3.4
57.30827	2.7
67.05501	5.1
69.03402	4.5
69.07065	6.9
79.05492	7.4
81.07035	6.1
82.55688	2.8
83.04958	5.4
85.02866	3.7
91.05484	7.0
93.07033	19.2
95.04961	11.8
95.08601	13.4
97.06498	3.1
105.07011	20.7
107.08584	17.2
109.06522	10.7
109.10139	4.1
111.89437	3.2
116.98116	2.7
119.08582	13.6
121.06486	18.7
121.10149	5.1
123.08080	13.2
125.05924	3.4
129.07013	4.9
131.04919	18.9
131.08542	5.0
132.05305	6.6
133.06432	17.5
133.10100	17.0
135.08047	13.7
137.05966	16.7
137.09608	5.3
143.08565	12.8
145.06526	4.2
145.10115	6.7
147.08069	4.9
149.05968	4.6
149.09581	11.7
155.08554	6.8
157.10066	6.2
159.08083	11.3
159.11705	4.3
159.50114	2.9
161.05939	4.6
161.09579	19.1
162.64374	2.9
163.11150	4.5
167.08577	3.5
169.10095	14.1
171.07974	4.5
171.11592	10.7
173.09616	14.2
173.13345	3.8
175.11203	6.5
177.09064	16.1
179.10696	4.0
180.09293	3.5
181.10109	15.2
182.10928	4.2
183.11687	13.8
185.09628	5.7
185.13181	5.6
187.07491	5.7
187.11183	12.6
189.09135	5.1
191.10590	3.5
195.11679	14.5
197.09659	12.5
197.13258	5.5
198.10458	4.0
199.07558	4.1
199.11147	27.8
201.09021	3.4
201.12651	3.3
207.10098	7.2
207.11858	3.7
209.13266	4.3
211.11127	18.4
213.09010	4.6
213.12770	19.6
215.10728	5.7
217.12201	4.4
222.13977	3.8
223.11209	13.3
223.14769	5.0
225.12761	6.2
226.09924	3.4
227.10638	14.0
229.12216	6.1
239.10754	4.9
241.12238	14.3
241.15768	4.5
243.13841	4.5
251.10817	5.6
251.14183	3.3
253.12497	3.6
255.17400	4.1
257.11725	5.9
259.13272	5.1
265.15866	6.4
269.11722	12.3
269.15356	5.5
271.13312	4.2
283.16928	12.0
287.05524	45.5
287.12756	6.1
293.15305	4.8
301.17850	4.7
311.16263	25.1
329.17419	36.0
347.14786	5.3
347.18503	20.7
371.18616	4.9
389.19547	21.4
405.19223	7.1
407.20444	3.6
449.21655	100.0
463.27716	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	449.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05510	2.1
58.18647	1.7
59.58944	1.7
62.64892	1.7
67.05514	4.3
69.03426	4.3
69.07088	2.1
71.04989	8.4
79.05490	4.3
81.03441	3.1
81.07057	11.1
83.04988	2.1
83.08625	3.4
83.60083	1.9
85.02900	2.1
85.06551	4.8
91.05483	7.9
93.07045	26.1
95.04975	7.8
95.08612	9.9
97.06523	3.9
99.08050	2.4
104.27734	1.9
105.03392	3.7
105.07048	20.3
107.04942	2.5
107.08594	20.1
109.06521	10.2
109.10131	4.1
109.42761	2.0
111.08067	14.5
113.09633	8.6
117.07005	3.9
119.04902	4.6
119.08577	16.9
121.06515	12.5
121.10149	19.1
121.50812	1.9
123.04440	2.5
123.08057	9.2
129.07004	4.4
131.08583	9.1
133.06520	3.7
133.10132	12.7
135.08052	8.0
135.11664	4.0
137.06013	6.9
137.09657	2.2
141.06947	2.8
143.08569	12.0
145.06514	3.5
145.10103	20.9
147.08064	14.4
147.11691	4.8
149.05986	2.8
149.09631	10.3
151.07544	3.8
155.08607	8.5
157.10170	10.3
159.08023	4.5
159.11726	10.5
161.09637	12.2
161.13274	4.1
163.07605	2.5
163.11191	10.7
167.08546	3.7
169.10168	12.7
171.07982	3.6
171.11684	15.6
173.09607	19.9
173.13284	8.5
175.11220	4.4
177.09113	2.5
179.08603	4.2
179.10721	2.9
181.10158	14.5
183.11804	4.5
185.09610	8.3
185.13205	7.5
187.07567	2.6
187.11208	13.3
187.14799	2.7
189.09016	4.1
189.12730	4.1
191.10715	9.1
192.09390	2.6
193.10152	10.6
195.08099	2.3
195.11693	17.4
197.09618	3.3
197.13194	14.7
199.11267	15.6
199.14899	2.1
201.09091	3.2
201.12726	3.3
205.12175	3.4
207.11748	9.2
209.09680	11.4
209.13289	11.1
211.11208	10.0
211.14825	3.4
213.09196	2.3
213.12679	14.0
215.10756	4.0
215.14378	10.2
221.13316	3.9
223.11243	7.0
223.14827	8.3
225.12787	11.4
226.13409	2.4
227.10661	8.6
227.14281	4.0
231.13911	2.4
232.12566	3.3
233.13397	2.5
233.15468	7.1
234.10544	1.8
236.12082	3.1
237.12711	2.6
237.16437	4.3
239.14357	9.4
241.12234	9.2
241.15877	3.5
243.13879	3.1
247.14986	2.5
250.13678	2.6
251.14296	9.6
253.12263	4.8
257.15378	4.5
265.15891	11.0
267.13922	3.5
269.15421	3.8
271.13220	2.2
283.16998	8.1
285.14883	8.6
293.15460	4.6
297.07486	15.8
303.16034	2.4
308.58255	2.1
311.16541	17.0
329.17487	13.8
345.17001	2.6
367.22446	2.2
371.18777	2.4
377.24774	10.3
380.50702	2.0
385.23825	10.3
389.19577	12.7
395.25845	19.3
405.19138	16.6
413.26932	38.8
431.27954	46.2
449.12396	4.2
449.21759	100.0
449.28485	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	449.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17134	2.2
59.04906	2.0
79.84641	2.4
81.07072	3.0
85.02921	2.5
88.60532	2.6
91.05485	3.9
93.07033	4.1
95.08537	2.5
97.02907	2.6
97.06574	2.8
105.07011	4.1
109.06528	3.5
119.08559	4.2
121.06503	13.1
121.10157	4.4
123.08088	3.9
131.08574	2.7
133.06477	5.7
133.10120	10.3
134.86887	2.5
135.08043	4.1
137.05949	4.5
143.08537	4.2
145.10114	12.4
147.08073	9.3
147.11729	2.5
149.05974	11.1
149.09607	3.7
157.10110	4.5
159.08084	4.7
159.11668	3.8
161.09584	3.0
163.07527	2.9
163.11206	3.2
169.10118	5.8
171.08051	3.6
171.11707	12.2
173.05788	2.4
173.09612	9.8
175.07550	2.8
175.11169	2.9
179.10793	2.5
181.10107	8.7
183.11728	4.6
185.09592	3.1
189.12791	4.5
195.11690	9.3
197.13281	4.9
199.11217	15.1
206.11000	3.9
207.11594	3.7
209.09702	8.8
209.13266	4.1
211.11182	3.0
211.14885	3.5
213.12689	5.5
215.14412	4.0
223.14804	4.3
227.10684	8.9
231.13818	2.9
233.12903	3.2
237.16415	3.2
239.14288	4.6
241.16014	3.5
247.14723	5.8
251.14333	4.2
257.15363	3.3
265.15845	4.8
283.16885	14.0
287.05566	9.2
287.12506	91.5
293.15363	10.4
298.08371	2.4
301.18015	3.4
311.16489	19.4
329.17493	21.1
371.18738	3.4
389.19534	11.6
449.17194	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	449.2663
Annotation	Mappain
Peak:m/z	Relative Intensity
50.05204	1.6
55.05508	11.8
57.03428	12.0
57.07072	3.2
65.96323	1.7
67.05508	27.7
69.07079	17.6
71.08620	2.9
79.05494	8.4
81.07062	39.7
83.08636	15.4
85.10172	2.4
86.47307	2.1
91.05450	3.0
93.07027	8.3
95.08604	34.0
97.10154	9.2
98.98425	2.5
107.08594	8.9
109.10159	16.2
113.00011	81.4
119.08569	2.4
121.10159	8.5
123.11682	4.2
133.10132	4.3
136.99982	3.2
142.36508	1.9
147.11739	3.8
151.08391	2.2
151.40392	2.3
155.00961	3.8
169.02605	61.0
187.03625	2.8
235.81683	2.0
245.22612	2.8
258.68182	2.0
263.23642	10.6
309.21518	2.3
337.27338	100.0
431.25269	4.3
449.26785	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	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.63445	1.9
55.01863	2.5
55.05520	3.5
57.03419	3.3
57.07079	2.7
61.02916	3.4
61.40907	2.0
65.29190	2.2
67.05498	2.9
69.03426	22.3
69.07060	3.9
69.60920	2.4
71.04960	2.5
73.43728	2.1
74.99921	2.2
77.26180	2.3
79.05481	4.5
80.09715	2.3
81.03410	4.5
81.07046	14.8
85.02909	51.6
91.05475	3.7
93.07028	13.8
95.04934	13.4
95.08598	52.9
97.02876	13.5
97.10161	10.2
99.04456	3.8
104.49840	2.3
105.03390	100.0
105.07023	21.9
107.08593	18.3
109.06501	4.6
109.10169	23.2
111.08115	3.9
119.08577	23.7
121.06512	5.4
121.10143	18.0
123.04430	3.0
123.07996	3.4
123.11687	8.5
127.03913	11.7
129.07024	2.2
131.08553	14.9
133.06487	10.7
133.10126	28.9
133.46669	2.2
135.08040	5.1
135.11647	4.1
136.75801	2.5
143.08580	10.1
145.04961	3.1
145.10146	23.1
147.08061	4.1
147.11656	18.2
149.09616	5.3
149.13213	3.6
151.07588	2.6
151.11209	10.3
157.10101	13.3
159.08063	9.4
159.11682	14.6
161.09604	4.1
161.13206	20.8
169.10107	4.9
171.11696	12.5
173.13222	23.9
175.11171	3.2
175.14799	19.1
177.09088	3.1
185.13231	13.7
187.11111	3.4
187.14813	16.5
189.16345	19.2
191.10655	4.6
195.11694	4.5
197.13190	3.6
199.14803	12.9
201.16360	2.5
207.11488	2.7
209.09592	2.9
211.14958	3.2
213.16382	15.4
225.12674	3.0
227.17914	3.8
239.14224	3.3
263.14291	4.1
267.21063	3.1
269.22626	65.5
281.15262	4.0
287.23618	63.7
291.22910	2.5
298.52530	2.8
309.14874	11.1
311.16571	2.6
327.15860	15.7
329.17636	3.4
413.27133	4.7
431.28107	10.2
449.19662	40.4
449.28958	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.03431	2.8
61.02927	4.0
67.05501	7.8
67.43601	2.9
69.03410	21.2
69.07063	6.8
74.45874	2.8
81.03416	7.6
81.07061	25.5
85.02900	82.9
86.00464	2.9
89.57563	3.6
91.05499	6.7
93.07035	8.0
95.04910	3.8
95.08598	60.2
97.02882	25.1
97.10152	16.9
99.04485	3.7
104.81651	3.4
105.03399	58.7
105.07044	36.9
107.08612	31.9
109.02889	7.3
109.10162	34.1
111.08068	7.4
113.32979	3.3
117.06934	3.8
119.08575	26.5
121.06464	3.9
121.10101	30.3
123.04409	3.1
123.11694	7.6
125.17365	2.9
127.03911	22.2
127.13683	3.4
131.08540	13.5
133.06404	4.9
133.10104	29.5
135.11671	12.9
143.08565	6.9
145.05086	6.0
145.10124	39.3
147.11714	24.8
149.09546	4.2
149.13251	5.9
150.67926	3.3
157.10141	12.3
159.11673	16.6
161.13269	41.4
163.14891	4.0
169.10089	3.7
171.11656	13.7
173.13274	32.3
175.14801	24.7
177.16350	6.4
185.13231	18.2
187.14816	21.7
189.16377	4.5
192.09311	4.0
195.11697	5.3
199.14822	19.2
211.14908	5.3
213.16399	18.9
227.18031	4.0
239.88876	3.6
269.22629	100.0
287.23654	63.4
309.14655	4.2
311.23819	4.5
327.15817	5.0
377.24631	5.1
413.26648	5.5
431.27765	23.7
449.20145	16.1
449.28918	92.4
452.69128	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	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46605	4.4
58.21614	5.2
59.42856	4.1
62.18963	4.7
67.05518	4.5
74.91536	4.5
81.07060	8.2
83.08604	7.2
91.05444	6.8
93.07074	38.1
93.61546	4.7
95.04965	6.8
95.08606	22.1
97.06515	5.1
102.65249	4.6
105.07033	12.1
106.52019	5.3
107.04926	9.6
107.08596	9.9
109.06541	12.0
111.08074	19.3
113.09647	10.1
119.08567	19.7
121.10126	29.0
123.04405	5.9
131.08545	8.4
133.06488	7.9
133.10141	21.5
135.08057	9.7
135.11638	5.6
139.51401	5.1
143.08559	8.2
145.10115	25.7
147.07993	10.5
147.11678	12.2
149.09616	5.8
157.10068	8.6
159.11673	21.6
161.09578	8.1
161.13252	7.2
171.11609	9.6
171.43710	4.9
173.09607	26.9
173.13196	10.7
185.09549	9.3
185.13202	6.2
187.11189	18.9
187.14717	7.0
189.09114	5.7
191.10689	11.1
199.11252	8.0
209.13292	7.3
215.14359	26.0
217.12122	6.5
231.13739	7.5
239.14302	6.8
245.20978	4.5
245.43484	5.8
265.15744	5.1
297.07410	40.1
313.93689	5.2
348.81345	5.9
377.24707	10.4
385.23718	8.2
395.25754	29.1
413.26904	91.1
431.27939	100.0
449.12683	11.8
449.21686	70.1
449.27914	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	449.3262
Annotation	Digitogenin
Peak:m/z	Relative Intensity
53.03935	0.7
55.05511	1.4
57.03434	1.5
57.07094	0.8
67.05502	6.2
69.07065	6.2
71.04980	1.2
73.02924	5.9
77.03947	0.8
79.05484	1.4
81.07053	6.3
81.37225	0.8
83.04998	0.8
83.08624	2.8
85.02879	0.8
86.32344	0.7
91.05457	1.3
93.07050	7.7
95.04953	4.3
95.08595	10.8
100.32192	0.6
105.03390	36.6
105.04474	1.2
105.07021	7.3
107.08602	10.1
109.06535	1.4
109.10156	53.6
111.04381	0.7
111.08095	1.2
114.98244	0.8
117.07023	1.1
119.08580	7.5
121.06494	4.5
121.10141	8.4
123.08031	1.3
123.11713	4.0
127.11201	5.5
131.08553	1.3
133.06442	1.3
133.10156	7.0
135.08052	3.7
135.11688	3.8
137.05972	1.3
137.09599	1.0
143.08575	1.3
145.10101	5.7
147.08037	3.9
147.11676	6.3
149.09610	2.8
149.13278	4.0
157.10115	1.2
159.08073	1.4
159.11652	2.9
161.09610	3.6
161.13280	1.6
163.11131	1.0
169.10156	2.7
171.11681	4.2
173.09674	6.7
173.13326	0.8
175.11205	1.1
177.09096	1.6
182.75729	0.7
183.11769	1.1
185.09615	0.7
185.13295	0.8
187.11162	3.0
189.09077	3.2
189.16382	1.0
191.10701	7.9
191.17900	0.8
195.11652	1.0
197.09575	1.0
197.13316	1.2
199.11145	0.9
199.14693	0.9
201.12558	0.9
203.17975	1.0
205.10411	0.8
205.12305	0.8
209.11726	3.3
209.13417	0.9
211.14803	0.8
213.12675	1.0
215.14247	1.2
215.17981	0.9
215.86316	0.7
221.13277	1.3
225.12654	1.1
225.16376	1.2
227.14268	1.3
237.16553	0.7
251.14604	0.8
256.44775	0.7
257.69095	0.6
263.14255	0.7
269.18994	0.8
281.15384	1.5
281.19019	1.0
283.17056	1.0
289.17978	2.6
302.18674	3.2
303.19171	1.2
309.14783	2.8
317.06522	47.5
321.22327	1.2
327.15955	3.2
339.23257	0.9
357.24377	1.2
395.29459	1.2
413.30487	7.9
431.31409	2.8
449.19537	8.6
449.32629	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	449.3623
Annotation	CHEBI:70532
Peak:m/z	Relative Intensity
51.67508	4.2
55.05518	10.8
57.07091	16.2
63.38760	4.5
67.05501	13.1
67.24154	4.5
69.07071	59.5
71.08634	8.7
72.40724	5.5
79.05479	5.6
81.07050	52.0
83.08641	40.9
83.09097	6.5
84.38112	5.1
85.10165	6.1
92.59605	5.7
93.06988	7.8
94.08399	5.4
95.08585	53.6
97.10159	24.3
105.07000	7.4
107.08587	29.7
108.38376	7.3
109.06496	12.7
109.10145	36.2
111.04444	30.7
111.11703	10.7
113.05974	7.5
119.08571	9.3
121.06512	6.9
121.10135	11.2
123.08063	20.0
123.11692	9.5
127.03890	12.3
135.08066	6.3
135.11729	10.0
137.05981	56.3
137.13272	6.8
145.10191	6.9
147.11641	7.3
149.13206	11.6
155.06982	23.5
159.11694	11.5
161.13261	12.5
167.07008	9.4
171.11659	10.6
177.12663	5.2
181.08559	9.2
187.11174	5.4
195.46516	5.3
205.12122	7.4
231.13708	6.7
235.13199	5.6
296.15616	5.5
367.33646	8.9
413.34091	32.1
431.35141	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	450.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07792	1.3
65.00597	1.1
65.34569	1.2
69.03420	1.8
75.41905	1.2
85.02905	9.7
88.03996	2.5
97.02899	2.7
106.02901	1.3
106.42163	1.3
107.04974	1.7
119.04941	2.9
122.81194	1.5
123.04424	10.9
124.03947	1.8
127.03927	1.9
130.04961	1.6
135.04422	13.5
137.05968	2.0
138.06259	1.6
139.03862	2.0
141.06561	1.5
147.04416	7.6
148.05162	4.8
148.06230	1.5
149.00546	16.9
151.03900	29.3
151.07480	1.6
153.03720	7.5
153.05420	2.8
163.02130	1.4
163.03917	1.3
165.05463	7.8
166.06235	20.4
167.01627	21.7
181.03171	100.0
193.04892	1.8
199.04221	54.3
207.04768	6.7
237.08565	1.4
268.08197	1.8
271.06277	19.2
288.08963	72.4
303.08600	34.3
397.09979	1.2
450.14420	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	450.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07792	1.3
65.00597	1.1
65.34569	1.2
69.03420	1.8
75.41905	1.2
85.02905	9.7
88.03996	2.5
97.02899	2.7
106.02901	1.3
106.42163	1.3
107.04974	1.7
119.04941	2.9
122.81194	1.5
123.04424	10.9
124.03947	1.8
127.03927	1.9
130.04961	1.6
135.04422	13.5
137.05968	2.0
138.06259	1.6
139.03862	2.0
141.06561	1.5
147.04416	7.6
148.05162	4.8
148.06230	1.5
149.00546	16.9
151.03900	29.3
151.07480	1.6
153.03720	7.5
153.05420	2.8
163.02130	1.4
163.03917	1.3
165.05463	7.8
166.06235	20.4
167.01627	21.7
181.03171	100.0
193.04892	1.8
199.04221	54.3
207.04768	6.7
237.08565	1.4
268.08197	1.8
271.06277	19.2
288.08963	72.4
303.08600	34.3
397.09979	1.2
450.14420	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	450.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.59880	0.6
57.03432	0.8
58.97837	0.6
63.54779	0.6
66.79401	0.6
69.03429	11.8
78.03455	3.8
81.03419	12.0
83.04964	1.5
84.59726	0.6
85.02903	11.0
92.18519	0.8
97.02898	4.9
99.04453	2.7
106.02194	1.6
106.02913	43.6
109.02880	10.2
122.32053	0.7
124.03945	100.0
127.03903	6.1
129.05455	2.6
135.04428	1.6
153.03693	1.3
166.06268	3.0
167.01627	6.1
181.03171	18.7
181.04660	1.0
183.08725	0.7
199.04269	6.3
201.89224	0.7
207.04762	2.6
218.85284	0.6
232.06142	0.7
249.95694	0.6
250.07137	7.8
268.08130	45.3
271.06430	4.1
288.08920	13.1
288.11533	0.8
450.16043	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	450.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
69.03419	7.5
78.03435	4.9
81.03423	19.6
85.02906	8.0
97.02879	5.5
97.36955	0.9
99.04446	2.3
106.02185	1.8
106.02911	62.5
109.02875	11.9
123.04428	32.9
124.03943	100.0
127.03896	5.6
165.09099	1.8
166.04874	1.2
171.93823	1.0
188.49596	1.1
227.73996	1.0
250.07077	17.9
268.08139	43.8
269.89771	0.9
325.57117	1.0
390.12006	2.4
432.16672	4.9
450.17545	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09628	0.6
51.78381	0.6
53.03951	1.2
58.55912	0.6
58.72049	0.7
67.63487	0.6
69.03149	0.6
69.03432	10.2
71.04984	1.2
73.02908	1.0
78.03448	8.3
81.03419	21.7
85.02901	9.1
92.17944	1.4
93.76797	0.7
96.04511	1.3
97.02884	6.6
97.55500	0.7
99.04442	4.0
105.07047	1.5
106.02917	82.5
109.02882	17.3
109.10189	0.7
123.04398	1.6
123.80046	0.9
124.03950	100.0
126.20766	0.8
127.03916	7.5
131.04887	1.7
133.06502	2.7
137.05917	3.0
166.05051	0.9
196.06168	0.8
232.06099	1.5
238.41771	0.8
250.07079	20.7
268.08142	34.7
268.10959	1.7
318.06879	0.9
348.74500	0.7
432.15967	1.2
450.17499	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97024	0.8
53.05350	0.8
59.61090	1.0
62.25287	0.9
69.03429	10.9
69.14643	1.0
70.25660	1.2
71.04969	1.4
78.03450	5.2
81.02990	1.1
81.03421	20.6
85.02895	16.6
86.03226	1.4
97.02886	8.1
99.04446	5.3
106.02915	72.5
109.02882	20.4
121.02871	1.5
122.02714	1.3
123.04426	37.5
124.03946	100.0
127.03906	9.2
140.60611	1.1
140.64154	1.3
147.07974	1.2
165.09055	2.2
250.07108	17.2
268.08127	43.3
272.09549	1.5
280.88889	1.3
287.05502	25.3
288.05817	52.2
298.47107	1.3
432.16531	4.6
450.17538	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.18786	1.4
67.05511	1.5
70.02952	2.2
74.00666	12.2
76.03996	16.2
77.27405	1.5
84.04499	29.5
85.02940	1.5
85.04016	1.8
92.01711	16.2
95.68417	1.6
96.02338	1.4
99.05574	89.3
99.08038	1.7
109.10141	2.2
112.03983	11.9
113.03516	2.1
127.05023	17.3
127.11229	2.2
130.04997	100.0
131.04494	16.5
134.33322	1.7
143.78011	1.8
145.06079	80.8
149.03786	6.4
153.06610	23.0
159.08389	3.1
160.00618	6.3
175.07881	5.5
177.03268	81.7
178.01637	15.6
181.06044	17.2
185.03790	3.7
195.04335	38.0
199.07158	25.2
212.03816	1.8
217.50621	1.6
231.04350	3.1
239.06708	2.5
256.09271	2.1
274.10367	36.6
288.06262	16.6
303.13663	7.3
304.05026	2.1
306.07544	50.9
321.14908	3.2
324.08597	16.9
450.18936	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	450.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
56.03697	1.4
61.30661	1.4
67.05500	1.8
71.04985	4.3
74.00655	11.0
76.03992	17.0
84.04503	25.9
85.02893	2.9
85.03986	4.2
88.03976	2.0
91.03339	1.7
92.01712	19.8
99.05579	94.8
99.08085	4.0
107.06127	2.6
109.10194	1.8
112.03950	7.4
127.05056	15.9
127.11210	2.0
130.04996	100.0
131.04506	11.5
135.05585	2.0
139.99756	1.7
145.06084	81.0
149.03699	2.1
153.06575	27.8
160.00613	9.3
165.05461	2.6
177.03279	79.3
178.01665	12.2
181.06073	14.9
185.03807	7.0
195.04329	35.6
199.07144	30.3
230.01668	2.0
231.04257	3.3
232.88754	1.7
256.09232	8.8
274.10361	30.2
285.12741	2.8
288.06479	9.4
303.04974	3.1
303.13763	8.0
304.05310	15.4
306.07489	36.8
321.14810	10.6
324.08679	16.4
450.18982	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83609	1.1
51.62403	1.0
53.30688	1.1
54.56203	1.0
55.17032	1.2
60.35162	1.2
66.99850	1.3
77.79962	1.6
78.61640	1.4
79.67325	1.2
84.04494	2.9
85.02885	9.6
92.18497	1.4
107.04987	1.6
107.80141	1.3
115.14697	1.6
119.04917	1.7
121.06500	6.6
123.04370	1.5
126.20251	1.3
127.03949	1.9
130.04988	18.8
131.05356	3.4
137.06009	2.1
147.07623	14.8
148.07973	3.3
151.03854	7.8
152.04236	2.5
161.05962	100.0
161.09592	32.1
163.07512	20.8
163.22859	1.4
165.09061	2.0
179.07034	26.8
181.08531	2.6
183.10133	7.4
189.09085	98.5
207.10155	99.8
223.09633	2.5
225.11119	2.3
253.10582	2.2
271.11728	70.8
303.08713	2.0
304.08917	5.5
402.57919	1.5
450.16452	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10813	1.1
69.47778	1.3
71.26806	1.1
82.73080	1.1
85.02909	7.3
85.97968	1.0
91.05456	2.6
96.03320	1.2
97.02910	2.8
107.04977	4.8
121.06492	7.4
123.04433	2.9
124.07566	8.8
129.06970	1.7
135.08107	1.3
137.05974	2.0
149.09569	2.0
151.03889	10.0
154.08621	2.5
157.06488	4.7
161.05971	100.0
161.09583	29.6
163.07526	15.7
165.05540	1.4
167.07047	2.9
179.07024	21.4
181.08543	2.2
183.10100	9.1
189.09096	91.8
193.08487	1.4
207.10159	88.9
226.81328	1.3
244.28699	1.3
271.08704	2.5
271.11722	70.3
303.08652	8.6
319.15872	1.5
350.39691	1.4
362.10669	1.4
450.20215	5.6
457.59476	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	450.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85032	0.8
56.24118	0.8
57.07068	1.8
57.30650	0.8
59.61921	0.8
61.68201	0.8
70.06592	16.1
71.08607	1.6
72.08151	2.3
84.08129	5.1
86.09701	6.9
88.07587	1.1
89.06039	6.9
101.02708	0.9
111.02031	1.0
114.09150	8.5
132.10262	1.2
176.12856	11.8
190.14354	9.2
212.23743	4.5
238.25330	6.8
240.26903	1.3
274.62186	1.0
286.14853	1.2
300.28998	7.3
329.07837	1.2
331.21451	1.0
344.31577	92.3
450.37860	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	451.1023
Annotation	Gaboroquinone A
Peak:m/z	Relative Intensity
50.95806	0.3
56.98507	0.3
57.08701	0.3
60.09991	0.4
79.26320	0.4
96.97477	0.4
100.11427	0.3
105.03417	3.8
107.08631	0.4
109.28437	0.4
142.94861	0.4
161.93690	0.4
167.03398	4.7
187.11139	0.4
219.11742	0.4
241.55869	0.4
285.07587	1.9
311.05463	3.9
311.09128	2.8
311.16458	0.4
324.06390	0.7
329.17606	0.5
335.09341	0.5
337.10559	0.4
339.08621	5.6
377.06622	0.5
381.09744	4.8
391.08133	15.0
391.13089	0.6
407.07779	0.6
408.08160	2.6
409.08917	0.4
419.07544	1.4
423.11182	0.6
449.08646	9.2
451.10239	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	451.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	0.3
52.69653	0.3
61.02922	0.3
69.03416	1.3
81.03403	0.6
85.02905	7.4
86.31466	0.3
91.03948	0.5
97.02879	2.6
99.04454	0.5
109.02874	1.6
127.03913	100.0
145.04959	0.8
289.09201	8.7
327.97833	0.4
343.49857	0.3
476.99423	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	451.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28947	0.5
61.52248	0.6
64.20654	0.5
72.88836	0.5
82.44589	0.5
104.57761	0.6
123.04425	1.2
127.30811	0.6
147.04388	0.8
181.03276	0.6
242.50543	0.6
321.11606	2.9
351.12622	2.4
393.13568	8.0
451.17822	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	451.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83119	1.1
57.03447	17.0
61.02928	7.7
69.03437	11.2
73.02919	29.0
77.08213	1.7
81.03407	9.9
85.02393	3.0
85.02907	82.9
92.18724	1.5
97.02893	31.8
99.04458	1.7
103.03956	3.4
109.02229	1.5
109.02856	14.0
110.80108	1.5
111.16925	1.3
115.03887	3.2
127.03893	18.8
136.07544	2.2
140.07066	55.5
145.04985	16.9
152.07050	10.3
154.08612	2.1
163.05959	12.3
164.07088	9.3
178.08653	7.4
182.08122	100.0
195.60220	1.7
206.08107	46.9
206.10027	1.7
218.08089	2.8
248.09145	8.9
284.11292	7.1
302.12335	79.5
320.25327	1.8
373.61353	1.5
417.58887	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	451.2115
Annotation	CHEBI:67870
Peak:m/z	Relative Intensity
52.20470	1.1
52.98071	1.1
53.03949	1.6
67.05502	2.8
69.03420	1.9
69.07050	2.1
79.05479	2.4
81.07066	1.8
83.04953	2.1
83.08624	1.9
85.02888	5.7
91.05457	6.0
93.07027	10.6
95.04967	8.5
95.08595	1.4
105.03392	100.0
105.04491	3.5
105.07048	10.6
107.08588	7.3
109.06516	5.9
109.10165	3.1
117.06968	1.5
119.04938	1.4
119.08581	4.6
119.68990	1.3
121.06510	8.0
121.10133	5.4
123.08098	1.9
125.15910	1.1
131.08571	1.9
133.06487	7.8
133.10112	28.0
135.08040	2.9
135.11676	5.0
137.05997	1.8
137.09610	1.6
138.94026	1.2
143.08542	4.6
145.06468	1.5
145.10120	19.8
147.08096	2.7
149.05994	2.7
149.09586	8.2
151.07518	2.3
151.11151	1.7
155.08522	2.6
157.10130	5.9
159.08055	5.2
159.11563	1.2
161.09608	10.2
163.11157	5.5
163.12471	1.3
166.07721	1.5
167.08577	2.2
169.10136	3.0
171.08047	6.9
171.11720	4.9
173.09579	6.7
175.07608	1.6
175.11209	1.7
177.09120	1.4
181.10153	3.0
183.11597	6.4
184.08838	1.4
185.09590	7.7
187.11101	1.4
189.09146	1.4
189.12733	2.4
192.09360	1.4
193.10117	2.5
194.10974	2.1
195.08092	1.5
195.11700	12.7
197.09601	5.1
197.13211	1.7
199.11230	9.3
203.10623	2.7
206.10904	2.1
207.11696	5.3
208.12450	1.5
209.09673	5.5
209.13283	6.3
211.11188	6.8
212.83313	1.5
213.09207	2.0
213.12790	2.5
215.10703	1.2
215.14230	1.8
221.13362	1.7
222.10434	1.7
223.07365	1.2
223.11227	7.2
224.12079	1.5
225.09209	1.5
225.12607	4.4
227.06979	1.7
227.10745	7.2
227.14204	2.3
232.12526	2.3
235.11206	5.0
236.11844	1.6
237.16394	4.8
239.10567	2.2
241.12248	2.1
241.15892	2.9
247.14880	10.8
250.13605	2.8
251.10765	1.5
253.12196	1.9
260.11938	1.8
263.14603	1.4
265.15909	10.3
267.13940	2.6
269.11691	2.9
275.14310	2.3
283.16888	7.9
285.14685	1.3
289.21613	35.0
289.24597	2.4
293.15338	11.6
311.16293	22.3
329.17444	39.1
451.21054	27.3
451.27023	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	451.2116
Annotation	CHEBI:67870
Peak:m/z	Relative Intensity
53.03944	2.3
59.67944	1.1
62.10322	1.2
69.07052	1.6
72.90644	1.5
77.03927	1.4
81.07018	1.4
91.05459	2.5
92.59718	1.7
93.07050	5.5
95.04954	8.9
95.08571	2.4
97.06516	1.6
105.03394	100.0
105.07000	6.2
106.03723	2.3
107.08579	2.2
109.06506	2.6
116.25607	1.1
119.08610	2.5
121.06494	5.4
123.08056	1.9
131.08531	1.8
133.06467	2.9
133.10133	6.6
135.08026	2.5
137.04192	1.2
137.09605	1.4
143.08508	2.4
145.10106	5.6
147.08052	1.9
149.09572	2.3
155.08592	1.4
157.10085	1.7
159.08025	2.1
161.09573	5.9
169.10139	2.1
171.08060	2.1
171.11678	3.2
173.09595	2.7
177.09119	2.0
181.10130	7.0
183.11615	2.1
184.08775	1.5
185.09726	3.0
187.11125	1.7
189.73415	1.4
193.10172	3.0
194.10867	2.0
195.11705	8.3
197.09589	1.6
199.11209	2.6
203.10550	1.5
205.10109	1.5
206.10890	1.8
207.11592	3.2
209.09669	2.6
209.13219	1.8
211.11206	1.8
211.84076	1.5
213.12868	2.7
223.11218	7.4
223.14828	2.6
225.12764	3.1
227.10648	3.2
232.12408	2.1
235.11240	1.6
237.16428	2.1
239.10486	1.9
239.14206	1.6
241.12230	3.1
241.15912	2.1
247.14711	1.7
251.14394	2.2
255.14095	2.0
255.17274	1.8
265.15887	9.1
269.11899	1.6
269.15353	1.8
275.14172	1.9
283.17026	8.2
293.15384	8.0
311.16342	15.0
329.17477	21.7
406.64169	1.4
451.21118	36.6
451.26938	2.3
472.74539	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	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.6
67.05481	3.6
67.29697	1.8
69.03388	2.3
69.07067	3.7
71.16208	1.7
79.05515	2.6
81.07063	3.7
83.04970	2.2
83.08597	3.1
87.16225	2.0
91.05476	2.7
93.07024	7.6
95.04943	8.0
95.08609	11.3
97.06514	4.9
105.06984	17.3
107.04966	2.6
107.08602	19.2
109.06518	4.9
109.10126	3.5
119.08545	9.8
121.06490	12.2
121.10116	7.8
123.08051	16.9
125.09649	3.8
131.08549	14.3
133.06491	3.9
133.10110	12.6
135.07976	4.8
135.11691	2.3
137.09630	3.8
143.08534	12.6
145.10126	8.5
147.08043	7.6
149.09604	8.3
151.07492	3.5
151.11148	2.9
153.09119	8.0
155.08553	9.6
157.10074	9.6
159.08032	8.8
159.11664	9.8
161.09602	12.9
163.11241	7.6
169.10135	14.0
171.08014	2.5
171.11667	3.9
173.09596	5.1
173.13231	8.3
175.07610	2.8
175.11174	2.8
179.10757	2.5
181.10130	3.4
183.11690	9.2
185.09538	2.8
185.13229	4.7
187.11255	3.8
191.10588	3.4
193.12262	2.4
195.11734	3.1
196.12381	3.1
197.09586	3.3
197.13280	8.4
201.12859	3.2
207.11693	4.5
211.11200	5.0
211.14766	2.9
215.10735	4.1
225.12764	4.7
267.17365	7.7
273.15018	2.4
279.25427	2.5
285.18549	3.7
313.17865	12.5
331.19019	100.0
391.21112	4.3
451.23273	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	451.2325
Annotation	Teucrolin F
Peak:m/z	Relative Intensity
55.05505	12.4
60.41546	5.6
64.93530	5.7
67.05512	10.7
69.03429	13.7
69.07069	10.0
79.05462	8.4
81.07030	11.5
81.34371	6.3
83.08591	6.4
85.02952	8.1
91.05495	10.4
93.07050	35.3
93.77647	5.7
94.70394	6.2
95.04959	15.0
95.08603	33.3
95.11590	6.9
97.06544	9.3
105.03391	34.0
105.07004	55.9
107.04972	9.2
107.08591	44.9
109.06528	27.1
109.10152	15.0
117.06950	10.7
119.08591	23.8
121.06516	26.0
121.10122	27.6
123.04398	9.9
123.08057	27.3
125.09554	9.1
131.08548	27.1
133.06500	9.6
133.10127	15.5
135.08005	14.5
135.11728	11.3
135.29742	7.3
136.18694	7.1
137.05962	61.6
137.09624	11.3
143.08536	33.8
145.10121	31.6
147.07950	7.5
147.11685	9.1
149.05988	12.8
149.09601	29.7
151.03818	7.9
151.07552	41.2
153.09059	7.1
157.10132	26.5
157.32823	7.3
159.08023	27.0
159.11644	16.2
161.05969	10.4
161.09578	16.0
163.03889	8.0
163.07527	24.9
163.11166	8.6
169.08781	8.8
169.10120	32.0
171.11684	14.0
173.09596	27.9
175.11235	7.2
183.08046	6.9
183.11687	27.8
185.09547	10.1
185.13065	7.5
187.07515	9.7
187.11229	11.3
195.11713	9.6
197.09637	10.7
199.11179	8.1
199.14752	7.2
207.11774	9.2
209.13289	13.0
211.11145	11.4
211.14798	7.8
213.12793	9.8
215.10664	12.9
224.48949	6.8
225.12735	13.4
227.14211	7.2
243.10043	6.8
253.12224	8.0
285.18445	31.3
289.14069	7.6
295.16968	15.3
313.17941	52.7
327.22073	7.3
331.18967	88.7
349.20297	11.8
373.20291	10.7
391.21054	74.8
433.22131	13.1
451.23569	100.0
452.80099	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73783	8.4
55.42235	9.8
56.58228	8.9
67.05516	21.6
69.03423	19.7
69.07046	15.1
77.06953	10.6
79.05522	13.6
81.07052	48.0
91.05491	25.4
91.73073	12.2
93.07045	71.2
95.04961	85.9
95.08597	57.3
97.06505	10.1
105.03396	28.2
105.07038	88.3
107.04973	10.3
107.08592	77.7
109.06512	76.9
109.10160	43.0
117.06983	14.0
119.04937	11.8
119.08550	66.6
121.06482	27.7
121.10133	80.8
123.08055	72.9
123.11683	18.2
129.07019	19.2
131.08589	54.4
133.06540	40.5
133.10135	52.2
135.08054	20.4
135.11668	21.5
137.05989	18.9
137.09608	20.2
143.08562	43.2
145.10123	73.4
147.08075	27.6
147.11676	55.7
149.05960	15.2
149.09662	21.7
151.07593	13.5
155.08482	17.2
157.10136	66.3
159.07994	17.0
159.11685	48.3
161.09610	64.4
163.11110	14.5
165.09071	13.9
167.07043	21.8
169.08580	20.9
169.10097	47.1
171.08127	14.4
171.11691	74.4
173.09616	24.1
173.13269	12.7
175.11198	46.5
179.08742	11.2
181.10066	19.4
183.11650	52.0
185.09644	14.8
185.13199	19.6
187.11139	23.4
193.10104	20.2
195.11700	23.3
197.09734	19.8
197.13326	18.0
199.14888	17.6
207.11723	17.3
209.09689	11.3
209.13203	19.7
211.11124	16.2
213.12738	24.9
223.11247	14.8
223.14813	23.5
225.12790	16.6
225.16357	13.9
237.12650	12.5
241.15805	18.2
267.17444	22.7
269.15158	15.6
282.19174	12.8
285.18259	19.9
295.16849	51.9
313.18030	87.3
331.18948	100.0
383.25824	11.5
451.22470	51.4
451.28397	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03166	2.6
55.01873	3.2
55.05515	5.4
58.06610	3.6
67.05502	18.9
69.03424	7.0
69.07063	13.7
71.04991	4.4
79.05485	13.3
81.07076	28.8
83.01340	31.4
83.08617	4.1
85.02892	4.6
85.06548	3.5
91.05463	13.6
93.07052	22.7
95.04942	15.4
95.08610	23.1
97.02882	4.7
97.06531	6.0
99.04469	10.4
105.07031	28.6
105.42977	2.7
105.83131	3.2
107.04926	6.0
107.08598	28.7
109.06535	11.9
109.10179	14.6
111.04417	16.6
111.08157	3.0
112.12121	2.8
113.05986	4.6
117.06997	5.3
119.08553	24.2
121.06509	24.6
121.10163	46.1
123.04440	3.3
123.08047	5.6
123.11674	21.2
125.06023	5.9
125.09703	4.1
127.03861	3.8
129.06990	3.3
131.08563	23.3
133.10117	34.2
135.04413	7.0
135.08061	16.6
135.11691	33.2
137.05981	19.7
137.09598	4.0
142.07608	3.3
143.08589	15.7
144.09294	3.5
145.06485	5.3
145.10138	25.0
147.08011	12.6
147.11684	15.9
149.05949	5.7
149.09624	5.5
151.07556	7.0
153.09071	4.1
155.08508	6.8
157.10121	11.6
159.08031	7.0
159.11702	19.9
161.09605	19.2
161.13235	6.3
163.11192	3.5
165.09081	3.7
168.09308	6.4
169.10123	13.1
171.11705	20.5
173.09644	17.2
173.13278	28.0
175.11180	4.9
177.09036	3.7
179.07022	4.2
183.11678	44.1
184.12404	3.1
185.09613	3.9
185.13292	4.3
187.11198	13.8
189.09076	3.2
191.10663	4.1
195.11690	4.3
197.09612	4.6
197.13171	21.0
199.11000	3.2
199.14833	4.4
201.12730	23.0
209.13258	5.9
211.11209	6.6
211.14818	4.0
213.12836	5.6
215.10716	6.3
215.14323	13.9
217.12250	6.8
219.10132	3.7
221.13387	3.0
223.11214	3.5
225.12889	4.0
227.05788	3.0
227.14236	3.9
231.13838	3.5
235.14938	5.0
237.12756	3.7
238.13721	3.7
239.10638	4.1
239.17877	5.4
243.13762	3.7
252.14960	3.6
253.15747	11.6
253.21782	3.6
257.19098	4.5
267.17325	13.7
271.16898	4.1
271.22675	12.6
295.16910	18.8
313.17944	65.8
331.19003	100.0
349.20053	3.8
391.21173	42.0
396.03271	3.9
409.22260	25.9
451.17270	4.2
451.23236	19.5
451.28638	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	451.2688
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.61214	0.4
55.05499	0.8
67.05506	0.6
69.07057	2.8
71.59065	0.5
75.22949	0.4
81.07037	2.7
83.08609	2.6
89.03900	0.7
89.91048	0.4
91.05476	0.8
93.07010	0.6
95.04913	0.5
95.08586	1.1
97.10148	2.3
105.03379	2.1
105.07058	0.9
105.10290	0.5
107.08626	0.8
109.10143	0.7
109.98692	0.5
117.03333	1.1
119.08540	1.0
121.10131	2.1
131.30302	0.5
133.10074	0.5
135.04414	6.1
145.02835	7.3
147.11555	0.5
158.99455	0.7
161.13257	0.6
163.03882	100.0
167.03500	0.5
171.03098	0.6
181.04959	1.0
215.97479	0.5
217.19464	1.9
235.20537	1.0
238.21848	0.6
242.98035	0.5
253.21651	2.5
271.22757	0.6
433.26279	1.5
451.16058	5.6
451.27054	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	451.2691
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
56.25994	0.5
67.05497	1.1
69.07054	0.6
77.03913	0.8
79.05484	0.6
79.40955	0.5
81.07036	1.0
85.67206	0.5
91.05455	0.9
93.07071	0.6
93.85054	0.5
105.03364	0.9
107.04981	0.7
107.08595	0.8
119.08585	0.6
123.04461	0.6
133.02843	32.0
151.03885	5.2
161.02327	17.6
177.12651	0.7
179.03380	100.0
186.93680	0.7
257.76135	0.6
346.21515	0.7
449.75787	0.6
451.28864	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	452.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
67.48653	0.8
70.06566	1.6
81.03410	1.1
99.53370	1.0
109.02864	1.3
110.15465	0.9
119.80170	1.0
123.04417	100.0
127.44450	0.9
128.29524	0.9
139.03873	6.2
147.04401	5.2
151.03957	2.0
163.03886	5.6
165.01793	4.0
165.05450	5.6
177.01819	4.8
179.03398	2.3
179.75560	0.9
183.02959	3.9
191.03421	4.3
195.02965	1.5
205.01320	14.7
207.02879	2.1
219.02925	1.4
221.04437	38.2
223.02333	10.8
235.02481	1.1
237.03949	23.7
249.03922	11.2
265.03391	18.5
267.04947	10.9
283.04440	59.5
295.04578	1.5
371.62039	1.1
417.08112	18.7
435.09204	14.6
452.11578	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	452.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
56.23741	0.7
57.03437	0.8
66.73517	0.6
69.03432	6.0
72.21545	0.7
73.78516	0.6
78.03446	3.6
79.05473	1.0
81.03419	14.0
85.02914	4.0
85.06533	0.9
89.69399	0.7
91.05482	0.7
97.02902	4.9
99.04439	1.6
106.02921	32.7
107.04944	7.0
109.02883	10.5
114.09184	1.2
117.08210	0.7
123.04447	1.2
124.03950	72.9
127.03899	4.7
135.04413	6.7
137.06015	1.4
152.04695	7.3
165.05452	3.4
166.05908	1.1
167.07033	100.0
185.08070	10.8
219.13980	0.8
226.07127	3.4
250.07077	17.0
268.08142	52.5
319.10635	0.8
343.82779	0.9
351.37561	0.8
411.19983	4.1
434.14398	5.1
434.24149	1.3
452.15567	29.7
452.35803	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	452.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94843	0.9
53.03933	1.6
57.75375	0.9
62.53820	1.0
63.29572	1.0
69.03429	10.0
71.04993	1.6
78.03440	6.3
81.03416	23.1
84.96866	0.9
85.02888	10.6
85.06537	1.0
91.05452	1.1
95.78730	1.0
96.04459	1.7
97.02872	10.8
99.04447	5.1
106.02909	81.9
107.04933	9.9
109.02867	20.9
121.06463	1.6
124.03938	100.0
127.03922	10.2
149.05946	5.2
196.06111	1.1
225.83365	0.9
233.97983	1.3
250.07080	26.0
268.08121	40.3
286.09125	7.0
303.12619	1.4
404.13348	29.0
434.14517	6.4
475.40338	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	452.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31389	1.1
53.03955	1.3
56.11822	1.1
69.03421	6.6
71.04969	2.3
78.03444	2.1
81.03426	21.9
82.03745	2.3
85.02900	10.9
87.40872	1.2
90.29993	1.3
91.05450	5.7
92.40346	1.3
97.02871	6.0
99.04466	2.8
103.05463	1.9
106.02914	63.5
107.04946	40.8
107.08544	3.1
109.02880	15.8
119.04938	9.9
121.06488	9.3
123.04413	2.0
124.03947	100.0
127.03900	8.9
137.05951	9.8
149.05954	27.3
177.05499	1.4
250.07027	10.2
268.08133	44.6
283.04565	1.8
285.02023	1.5
394.69763	1.6
404.13373	86.8
411.03891	2.1
434.14441	16.9
452.15140	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	452.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82644	1.0
53.03949	2.2
63.79429	1.0
69.03436	11.2
71.04987	2.2
78.03452	4.9
81.03001	1.6
81.03427	24.0
85.02911	12.2
97.02900	8.3
99.04451	7.6
100.99902	1.1
106.02916	62.5
106.06555	4.7
107.04939	14.0
108.08118	8.5
109.02879	22.2
121.02844	10.5
121.06557	1.6
123.04429	1.1
124.03940	100.0
124.07538	1.9
127.03931	12.2
136.07573	1.9
149.05983	4.7
152.07057	14.7
159.06549	4.8
162.11237	1.6
170.08153	2.2
175.27669	1.1
185.66145	1.1
213.60739	1.0
221.12434	1.1
232.06033	1.3
250.07063	24.6
268.08109	44.7
285.09659	2.4
286.09222	6.4
314.12234	2.1
434.14539	16.1
452.15198	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	452.1554
Annotation	Nigrumin-5-ferulate
Peak:m/z	Relative Intensity
53.03961	1.7
69.03419	7.6
71.04958	1.3
72.80980	1.2
73.02937	2.0
78.03453	2.8
79.05488	17.9
81.03419	15.1
85.02899	6.4
91.05486	1.3
95.04944	1.5
97.02884	2.4
99.04460	1.7
106.02910	49.3
107.04266	3.0
107.04948	45.5
109.02877	13.6
110.09457	1.4
121.06469	13.5
123.04406	6.9
124.03942	100.0
125.05945	2.1
127.03881	6.6
131.04926	4.9
135.03381	2.1
135.04408	55.1
137.05946	11.2
149.05959	39.3
149.07097	1.3
167.07024	81.4
232.06261	1.6
243.72772	1.4
250.07051	15.4
261.32813	1.3
265.61880	1.5
268.08118	91.1
336.21320	1.5
404.13263	6.3
416.13553	7.8
434.14410	73.7
452.15274	7.8
474.93832	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	452.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
59.49454	0.4
68.91177	0.6
69.03431	5.8
70.56123	0.5
79.05482	2.6
81.03423	14.3
82.01318	0.5
85.02908	9.7
91.05465	0.6
95.04956	2.9
97.02894	9.0
99.04453	3.0
105.03396	100.0
107.13578	0.5
108.04453	1.4
109.02889	13.6
123.04420	10.2
124.03918	0.6
127.03930	7.7
137.05946	1.0
139.64447	0.7
145.04964	1.0
151.03935	2.6
151.07547	2.0
177.09256	0.5
249.07545	19.4
259.09601	3.0
267.08630	24.1
277.10712	2.8
285.36517	0.7
299.09241	0.7
430.74417	0.6
452.20575	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	452.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05502	2.0
57.03427	2.2
62.68811	1.3
62.87222	1.1
64.23932	1.2
67.05517	11.8
69.03434	11.3
69.07058	2.9
71.04986	17.9
71.71177	1.1
78.03452	4.8
79.05496	9.1
81.03423	15.5
81.07056	15.4
82.03368	1.2
83.04973	2.9
85.02895	19.8
85.06077	1.2
85.06506	9.9
87.04456	10.0
91.05482	6.9
93.07046	19.3
95.08608	18.0
97.02883	8.1
97.06538	7.5
99.04446	14.7
99.08066	2.9
101.05981	1.8
105.07021	3.3
106.02190	2.0
106.02910	62.6
107.04951	6.5
107.08601	6.2
109.02893	14.4
109.06514	2.6
109.10158	8.0
111.04443	1.7
111.08138	2.3
113.06007	1.5
115.03906	6.5
117.07061	1.8
118.24011	1.1
119.08578	6.5
121.06493	8.4
121.10146	16.0
123.08047	2.0
123.11685	2.2
124.03944	94.5
125.05955	1.6
127.03932	9.3
129.05515	1.5
131.08566	12.8
133.10121	1.9
135.04405	7.2
135.08049	8.7
135.11674	5.5
136.03935	7.9
137.05984	2.3
137.09593	2.2
139.11188	10.5
141.05490	1.3
145.05051	1.5
145.10103	2.2
147.11681	1.4
149.05989	2.1
151.07683	1.6
157.10139	5.2
157.12292	1.6
159.11670	11.8
161.05905	1.4
163.07541	2.4
166.05026	1.5
167.07021	82.8
172.43130	1.3
173.13243	11.3
177.12712	2.4
183.11694	6.3
185.08078	9.7
201.12750	8.7
203.85222	1.3
219.13835	12.6
225.09105	1.5
226.07076	6.0
232.06110	1.4
237.14839	11.9
250.07141	16.9
255.15886	11.4
258.86710	1.4
267.14001	1.8
268.05673	2.3
268.08167	34.7
273.16934	100.0
275.08966	1.4
294.14957	1.5
309.09448	8.3
316.82263	1.7
398.14468	2.1
416.15115	2.5
434.16028	2.7
452.15317	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91814	1.7
55.05514	2.6
57.03434	3.1
64.50922	1.8
67.05508	15.6
69.03413	3.0
69.07056	8.8
69.51740	1.7
71.04985	16.4
79.05498	14.9
81.07054	22.3
85.02900	35.2
85.06522	2.9
87.04482	16.1
91.05453	7.5
93.07036	30.6
95.08605	58.0
97.02901	2.0
97.06511	7.9
99.04443	32.8
99.08056	2.2
105.07005	4.6
105.57571	2.2
107.05010	3.1
107.08587	9.9
109.10157	15.7
111.11734	2.6
113.05975	2.4
115.03953	4.8
117.07001	2.3
119.08562	8.9
121.06474	4.1
121.10135	49.5
125.05984	8.1
127.03889	5.1
131.08591	11.7
133.10098	2.9
135.11671	10.7
137.05962	3.9
137.09602	11.8
139.07520	4.3
139.11185	36.8
141.07088	2.6
145.10132	3.9
153.12720	9.1
157.10126	8.9
159.11676	22.8
165.52962	2.1
173.13246	22.4
175.11043	3.3
177.09087	2.6
177.12643	3.2
183.11678	16.7
185.63231	2.2
191.14340	14.9
201.12737	18.6
219.13818	43.8
237.14778	16.9
255.15840	44.2
273.16949	100.0
322.33667	2.4
419.27106	2.3
463.61865	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	452.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
55.53945	1.9
56.00714	1.7
57.03435	4.5
63.89828	2.0
66.84532	1.8
67.05511	16.6
69.07086	15.1
71.04975	13.7
79.05493	5.0
81.07060	18.4
83.04985	2.4
85.02921	40.4
86.90234	2.3
87.04454	10.3
90.07233	1.9
91.05477	2.6
92.17886	2.4
93.07032	19.0
93.95178	2.0
95.08598	49.9
97.06534	3.6
99.04446	23.2
102.13557	2.2
105.07026	2.6
107.04940	2.7
107.08595	4.3
109.10151	14.6
115.03909	5.1
117.07020	2.7
121.10126	27.9
123.11684	2.2
125.05932	2.3
131.08549	3.5
137.09605	3.0
139.11162	35.0
141.06934	2.4
157.10123	3.5
159.11684	20.2
173.13272	11.2
177.09152	2.3
177.12726	2.7
183.11690	2.7
191.14365	11.4
201.12753	8.5
219.13788	24.0
237.14879	18.7
255.15878	100.0
270.89957	2.5
273.16971	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78018	6.4
52.55241	6.3
53.28952	6.5
55.05518	13.4
58.94528	6.2
58.94835	6.7
65.95002	5.9
67.05505	9.3
69.07057	10.4
72.04503	9.5
81.07043	43.3
84.61467	7.0
91.05479	8.8
93.07034	14.7
94.33007	7.0
95.04935	17.3
95.08614	72.7
105.06998	57.0
107.08572	40.4
108.25726	7.3
109.10131	35.1
111.04304	8.2
119.08579	98.8
121.06464	29.1
121.10122	34.4
123.08060	65.7
131.08543	33.8
133.10143	42.8
135.08064	16.8
135.11696	11.9
137.09583	10.6
143.08569	33.6
145.10109	39.8
147.08006	14.8
149.09639	8.1
155.08536	30.5
157.10136	47.3
159.08002	15.5
159.11623	16.4
161.09633	7.9
169.10109	12.7
171.11711	30.5
173.09552	16.1
183.11696	45.3
185.13283	31.3
187.11188	7.0
191.10684	10.9
195.11682	39.1
197.13182	12.3
204.70427	8.0
209.13257	40.1
211.14929	9.5
213.12802	27.0
221.42088	7.2
236.15607	14.6
239.17946	9.9
251.17899	67.5
269.18988	100.0
271.16962	36.5
279.17487	15.8
280.22946	10.8
287.19974	14.2
297.18475	90.5
315.19318	64.5
357.20566	16.8
375.21704	30.3
434.29010	35.5
435.23694	14.5
452.29898	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2774
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
50.85214	0.7
55.05512	9.1
55.13859	0.7
55.79666	0.7
57.03448	9.8
57.07082	7.2
67.05513	10.1
69.07067	21.2
71.08618	3.8
79.05497	3.9
81.07063	16.8
83.04984	0.8
83.08623	17.9
85.06557	0.9
93.07037	7.2
93.27197	0.7
95.08595	14.0
97.06521	1.4
97.10161	12.0
97.98020	0.7
107.08594	6.6
109.10178	5.5
111.08064	1.4
111.11723	3.2
121.10133	9.4
121.59263	0.8
123.11692	2.8
124.01665	0.8
125.09601	0.9
135.11673	9.1
137.13280	1.4
149.13266	1.7
185.84439	0.7
249.40579	0.8
280.26257	4.5
311.25787	100.0
313.20883	0.8
452.27573	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	452.3008
Annotation	Deoxylycoctonine
Peak:m/z	Relative Intensity
50.89783	1.0
50.94980	1.2
54.18652	1.0
55.05497	1.8
57.03428	6.2
62.92244	1.1
67.05499	2.6
67.94031	1.0
69.07048	2.7
72.04511	22.6
79.05519	1.5
80.34037	1.1
81.03406	1.3
81.07069	10.9
83.08575	2.4
84.27989	1.4
93.07031	7.4
95.04951	2.8
95.08595	6.5
99.04440	5.6
101.06019	2.7
105.07019	1.9
108.08109	1.4
109.06491	3.0
109.10138	1.6
110.06020	1.4
114.05547	2.7
119.08620	1.9
123.11674	1.5
124.07507	1.8
125.38631	1.3
126.09195	2.7
133.10121	1.8
137.06003	8.8
138.09132	2.9
140.07043	2.4
140.10614	1.9
152.06998	1.3
152.10677	2.9
154.08522	1.6
155.07040	6.6
158.08112	5.8
164.10753	2.3
168.10185	1.9
170.08121	11.3
178.12270	1.7
182.11772	3.0
184.09583	1.6
188.10678	11.7
192.10208	11.9
196.09732	2.7
202.12233	2.0
204.13818	1.9
210.11284	8.4
214.10724	2.8
221.19136	2.6
222.42133	1.3
244.13396	5.4
248.12885	2.4
280.22708	25.4
292.22662	1.7
300.23407	2.8
303.23007	1.3
318.24344	2.5
360.25217	2.4
374.26477	1.4
378.26364	6.5
416.27939	6.7
434.23920	1.5
434.28979	46.8
452.30057	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	452.3009
Annotation	Chasmanine
Peak:m/z	Relative Intensity
53.76154	1.3
57.00238	1.7
57.03427	7.0
60.74545	1.6
67.05495	1.7
69.07057	3.7
72.04525	24.1
79.05476	1.8
81.07042	7.2
90.83498	1.6
93.07030	3.4
95.05035	2.2
95.08601	8.0
99.04481	6.4
101.06015	3.4
105.03363	7.0
106.03723	2.1
109.06500	2.4
109.10223	2.5
114.05486	2.9
114.09218	2.5
119.08592	2.3
121.10123	2.1
126.09111	1.9
137.05963	6.5
138.09140	2.3
140.35635	1.7
152.07071	2.0
155.07083	2.2
158.08118	9.3
164.10693	2.1
168.10243	2.5
170.08092	10.2
184.09673	4.1
188.10724	7.9
192.10222	10.0
196.09645	3.7
204.13889	2.1
210.11328	3.5
214.10706	2.9
244.13387	2.4
264.23273	2.2
280.22723	29.8
300.23215	2.6
360.25125	3.3
374.27109	2.5
378.26410	9.0
416.27899	8.4
434.28983	100.0
452.20709	2.6
452.23447	1.9
452.30020	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.1
69.03419	4.3
70.12706	0.9
75.50916	0.9
80.89790	1.0
81.03416	1.4
85.02906	12.4
85.06527	1.4
85.96822	1.0
95.04967	1.5
97.02881	4.0
109.02868	1.8
111.04450	1.5
119.04944	2.2
123.04423	66.1
127.03883	4.2
131.97194	1.0
135.04379	8.3
137.05994	1.0
139.03902	100.0
145.05028	1.2
147.04405	16.6
151.03900	5.5
160.89261	1.0
161.06003	1.8
163.03897	14.7
165.05464	14.1
169.04919	1.3
179.07043	1.2
207.06497	6.0
271.05945	1.4
272.29623	1.2
273.07605	8.9
283.05801	2.1
291.08594	29.4
301.07019	5.0
313.07114	1.7
386.06577	1.0
435.10754	4.5
453.12985	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	453.1392
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.53421	0.6
57.03439	1.1
61.02909	1.2
67.24007	0.7
69.03424	6.7
71.04969	1.4
81.03403	1.5
85.02901	17.8
90.69712	0.8
97.02875	6.0
99.04443	1.3
107.04958	1.1
107.66413	0.9
109.02856	2.5
119.04913	3.1
123.04420	60.8
127.03918	5.8
135.04373	1.6
137.05988	1.1
139.03903	100.0
147.04410	17.8
149.85886	0.7
151.03918	7.1
153.05397	0.9
161.05949	2.8
163.03899	22.9
165.05473	16.4
169.04933	1.1
175.03900	0.8
177.05402	1.4
181.04958	4.6
189.05476	1.3
193.04971	1.2
205.05040	6.8
207.06496	4.2
217.05083	1.5
235.05989	1.6
247.06038	3.1
273.07614	5.7
285.07608	1.1
291.08591	24.5
301.09161	4.7
315.08646	1.2
453.14084	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	453.1392
Annotation	Catechin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
61.02924	1.6
69.03413	4.3
71.66506	0.8
81.03416	1.0
81.12920	0.9
85.02902	17.6
97.02879	6.1
109.02858	1.2
119.04939	1.1
123.04424	58.1
127.03903	2.0
135.04396	1.2
139.03903	100.0
147.04390	17.9
151.03879	5.8
161.05991	3.3
162.35594	1.1
163.03903	8.8
164.72411	0.9
165.05467	16.4
169.05101	1.5
177.05566	1.1
179.06975	3.0
181.04970	3.4
189.05330	1.2
189.73112	0.8
191.03343	0.9
193.05144	1.6
205.04945	4.7
207.06462	7.2
229.04878	1.2
247.05994	1.0
254.18822	0.9
257.04385	1.4
273.07526	4.4
275.05542	1.8
283.08191	1.0
291.08603	37.3
301.09039	1.9
453.07971	3.4
453.13846	6.8
453.19479	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	453.1393
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.54200	0.5
55.01880	0.9
69.03444	0.8
69.89893	0.6
85.02905	6.9
86.06039	0.8
92.54195	0.8
97.02905	2.7
119.04929	2.8
123.04423	51.0
139.03896	100.0
145.04953	0.8
147.04399	18.2
150.91054	0.7
151.03894	3.1
152.43625	0.8
161.05943	1.4
163.03877	5.6
165.05464	12.8
169.04988	1.7
169.09669	4.9
177.05504	0.7
179.07025	1.1
181.04929	1.3
184.33066	0.7
189.05548	1.0
205.04869	1.2
206.99597	1.1
207.06551	8.6
237.72580	0.9
259.80600	0.7
273.07620	3.4
277.63455	0.7
283.08038	0.8
291.08612	43.9
301.09232	1.3
313.14319	1.2
323.09039	5.3
435.14944	1.0
453.13669	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	453.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.1
69.03419	4.3
70.12706	0.9
75.50916	0.9
80.89790	1.0
81.03416	1.4
85.02906	12.4
85.06527	1.4
85.96822	1.0
95.04967	1.5
97.02881	4.0
109.02868	1.8
111.04450	1.5
119.04944	2.2
123.04423	66.1
127.03883	4.2
131.97194	1.0
135.04379	8.3
137.05994	1.0
139.03902	100.0
145.05028	1.2
147.04405	16.6
151.03900	5.5
160.89261	1.0
161.06003	1.8
163.03897	14.7
165.05464	14.1
169.04919	1.3
179.07043	1.2
207.06497	6.0
271.05945	1.4
272.29623	1.2
273.07605	8.9
283.05801	2.1
291.08594	29.4
301.07019	5.0
313.07114	1.7
386.06577	1.0
435.10754	4.5
453.12985	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	453.1545
Annotation	Kompasinol A
Peak:m/z	Relative Intensity
54.67270	1.0
55.01877	1.3
58.23462	1.2
69.92978	1.1
72.16185	1.2
83.03823	1.3
91.05482	1.5
95.04960	1.8
98.56043	1.2
104.54951	1.3
105.03361	3.1
107.04935	6.9
109.02880	5.3
114.09129	6.0
119.04926	7.1
121.10134	1.3
123.03553	2.8
123.04423	81.3
131.04941	10.4
133.06480	1.9
135.04430	15.7
136.05159	2.0
137.05975	50.7
139.03917	21.0
145.06444	1.7
147.04391	17.8
149.05991	3.0
151.03900	68.7
151.07530	36.0
153.05429	6.3
161.06017	2.6
163.03864	9.5
163.07535	10.9
165.05460	19.6
169.05005	9.5
173.06000	2.0
175.03899	2.0
175.07477	1.9
177.05469	19.7
179.07053	1.7
181.04948	6.8
183.11630	2.2
189.09346	1.3
189.28123	1.4
191.07071	2.4
193.04955	24.9
197.13254	2.2
207.06554	8.4
211.11191	2.4
213.09229	1.4
215.07050	7.2
239.07018	2.2
243.06371	1.6
246.16301	1.3
250.32426	1.3
277.23318	1.4
285.07635	12.9
291.15811	2.9
301.10693	61.3
301.14050	2.6
303.08624	100.0
418.36447	1.6
453.15298	26.6
453.21063	11.6
453.29382	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	453.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.5
72.63126	1.8
85.02901	9.8
86.19806	1.9
97.02872	3.0
123.03565	4.4
123.04422	100.0
124.03976	4.7
125.04234	2.0
127.03867	3.7
131.04959	22.3
135.04416	10.9
137.05971	12.5
138.42300	1.8
139.03897	72.9
147.04404	27.7
151.03879	37.1
151.07535	8.3
153.05513	2.8
161.06012	3.8
163.03902	27.6
163.07545	9.8
163.96095	1.9
165.05482	15.6
169.05016	2.4
177.05447	10.7
181.04915	4.9
193.04997	11.0
198.20679	2.0
205.04950	4.3
207.06555	8.9
213.05769	2.1
215.07085	2.3
247.06238	2.7
273.07520	3.1
283.05966	3.0
285.07565	8.7
291.08578	17.3
291.11502	2.2
301.10699	14.1
303.08606	49.6
435.10687	8.3
453.11688	9.9
453.16650	5.7
474.23074	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	453.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67270	1.0
55.01877	1.3
58.23462	1.2
69.92978	1.1
72.16185	1.2
83.03823	1.3
91.05482	1.5
95.04960	1.8
98.56043	1.2
104.54951	1.3
105.03361	3.1
107.04935	6.9
109.02880	5.3
114.09129	6.0
119.04926	7.1
121.10134	1.3
123.03553	2.8
123.04423	81.3
131.04941	10.4
133.06480	1.9
135.04430	15.7
136.05159	2.0
137.05975	50.7
139.03917	21.0
145.06444	1.7
147.04391	17.8
149.05991	3.0
151.03900	68.7
151.07530	36.0
153.05429	6.3
161.06017	2.6
163.03864	9.5
163.07535	10.9
165.05460	19.6
169.05005	9.5
173.06000	2.0
175.03899	2.0
175.07477	1.9
177.05469	19.7
179.07053	1.7
181.04948	6.8
183.11630	2.2
189.09346	1.3
189.28123	1.4
191.07071	2.4
193.04955	24.9
197.13254	2.2
207.06554	8.4
211.11191	2.4
213.09229	1.4
215.07050	7.2
239.07018	2.2
243.06371	1.6
246.16301	1.3
250.32426	1.3
277.23318	1.4
285.07635	12.9
291.15811	2.9
301.10693	61.3
301.14050	2.6
303.08624	100.0
418.36447	1.6
453.15298	26.6
453.21063	11.6
453.29382	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	453.1675
Annotation	1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthrene
Peak:m/z	Relative Intensity
55.97269	1.1
69.38628	1.1
78.37422	1.0
109.41798	1.3
118.70760	1.3
121.80966	1.3
164.27193	1.3
453.16687	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	453.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20286	0.5
57.03435	0.7
57.26175	0.5
61.02938	0.6
69.03420	4.5
70.41109	0.6
71.05014	0.6
81.03419	0.8
85.02905	7.1
97.02879	4.1
123.04384	0.8
124.07580	3.7
127.03848	1.4
134.05997	0.7
137.02283	1.3
137.05914	0.7
138.09117	5.3
140.07071	4.8
152.07103	1.3
154.04967	8.1
154.08600	4.1
200.10585	1.2
203.11996	0.8
216.10240	1.2
217.13245	0.8
226.07417	0.9
227.08183	3.7
227.11696	1.4
228.10164	15.4
229.10942	2.5
231.11214	0.8
242.10522	4.5
243.11295	6.4
244.12140	2.7
245.12817	12.4
246.11217	10.1
255.11212	4.7
260.11591	0.8
261.12347	2.6
273.12314	16.2
273.15054	1.1
274.10660	7.9
291.13364	100.0
304.43137	0.7
453.18533	23.3
463.06290	0.7
474.96680	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	453.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29835	2.1
51.02356	2.8
55.05511	2.2
58.08891	2.2
65.17817	1.9
68.43578	2.0
69.45699	1.9
70.27563	2.1
79.05509	3.7
81.07059	2.9
91.05486	3.5
93.07036	21.9
95.04939	11.1
95.08633	2.4
97.02882	2.2
105.03394	100.0
105.07032	5.2
109.06482	3.5
114.09155	9.2
119.04948	5.3
121.06489	41.4
121.10104	2.4
123.04412	45.6
131.04868	3.7
133.06509	5.5
135.04396	4.1
137.05974	36.8
139.03882	5.8
145.06473	4.0
145.10040	2.4
147.04440	14.3
149.05946	5.1
151.03903	40.0
151.07550	32.5
153.05518	3.5
155.08578	12.7
157.10117	5.4
161.05855	3.4
163.03931	3.2
163.07541	9.2
165.05463	9.7
169.10104	5.5
173.05936	4.0
173.09677	3.3
177.05476	15.4
179.08585	3.7
181.04900	3.1
181.10107	11.1
182.10919	9.6
183.08078	3.7
183.11699	9.4
185.09589	4.6
192.09363	15.9
193.04994	10.3
193.10121	3.7
195.08078	11.9
195.11557	2.4
196.08842	8.5
197.09657	8.4
197.13313	11.7
199.11195	4.1
207.11641	20.8
209.09590	15.6
210.10376	11.4
211.07504	5.5
211.11168	11.7
220.08780	13.9
224.08304	3.1
225.12735	45.4
235.11177	24.8
238.09827	3.5
253.12204	88.2
271.13373	19.7
273.57874	2.5
285.07678	3.0
301.10684	36.5
303.08563	44.7
303.11542	3.4
310.99286	2.3
311.97766	2.3
313.14532	3.8
331.15353	21.1
375.15927	11.6
395.26923	2.5
406.47324	2.5
426.13385	2.7
453.14304	7.0
453.20358	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29835	2.1
51.02356	2.8
55.05511	2.2
58.08891	2.2
65.17817	1.9
68.43578	2.0
69.45699	1.9
70.27563	2.1
79.05509	3.7
81.07059	2.9
91.05486	3.5
93.07036	21.9
95.04939	11.1
95.08633	2.4
97.02882	2.2
105.03394	100.0
105.07032	5.2
109.06482	3.5
114.09155	9.2
119.04948	5.3
121.06489	41.4
121.10104	2.4
123.04412	45.6
131.04868	3.7
133.06509	5.5
135.04396	4.1
137.05974	36.8
139.03882	5.8
145.06473	4.0
145.10040	2.4
147.04440	14.3
149.05946	5.1
151.03903	40.0
151.07550	32.5
153.05518	3.5
155.08578	12.7
157.10117	5.4
161.05855	3.4
163.03931	3.2
163.07541	9.2
165.05463	9.7
169.10104	5.5
173.05936	4.0
173.09677	3.3
177.05476	15.4
179.08585	3.7
181.04900	3.1
181.10107	11.1
182.10919	9.6
183.08078	3.7
183.11699	9.4
185.09589	4.6
192.09363	15.9
193.04994	10.3
193.10121	3.7
195.08078	11.9
195.11557	2.4
196.08842	8.5
197.09657	8.4
197.13313	11.7
199.11195	4.1
207.11641	20.8
209.09590	15.6
210.10376	11.4
211.07504	5.5
211.11168	11.7
220.08780	13.9
224.08304	3.1
225.12735	45.4
235.11177	24.8
238.09827	3.5
253.12204	88.2
271.13373	19.7
273.57874	2.5
285.07678	3.0
301.10684	36.5
303.08563	44.7
303.11542	3.4
310.99286	2.3
311.97766	2.3
313.14532	3.8
331.15353	21.1
375.15927	11.6
395.26923	2.5
406.47324	2.5
426.13385	2.7
453.14304	7.0
453.20358	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60154	0.5
51.85353	0.5
52.83525	0.6
56.93834	0.5
58.53823	0.5
58.94349	0.5
69.07059	0.7
75.32793	0.5
81.07033	1.2
92.18908	0.5
95.08582	1.1
107.04985	0.7
114.09150	2.2
123.04417	4.7
137.05951	2.8
139.03912	2.4
147.04330	0.8
151.03882	4.7
163.03883	0.8
165.05452	1.1
185.04179	0.8
185.52248	0.5
223.71097	0.6
231.00803	0.7
255.23041	0.7
271.05920	1.0
285.04532	0.6
285.07471	4.8
291.15643	66.4
299.05643	0.9
303.05450	0.8
303.08624	7.2
315.05115	1.0
315.08725	0.9
421.05212	0.8
453.07892	4.3
453.20914	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	453.2095
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
54.45278	0.6
55.58816	0.6
59.43104	0.5
64.57213	0.6
76.03954	0.7
79.05499	0.6
79.57079	0.8
92.17904	0.8
94.56052	0.6
105.03363	0.7
130.29965	0.7
139.03947	0.7
142.00993	0.7
143.47173	0.6
177.05455	0.7
179.06992	0.8
181.09697	0.7
185.04300	1.1
196.19170	0.7
231.53450	0.7
261.14575	0.7
273.14523	0.9
291.15649	60.5
351.60254	0.6
376.97775	0.8
453.20920	100.0
462.20880	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	453.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51080	0.5
69.07047	3.0
76.55243	0.7
79.05486	0.9
96.08125	18.2
113.10761	11.5
114.09161	59.8
115.07555	1.2
132.10214	0.7
139.24199	0.6
208.18036	2.3
209.16478	51.7
226.19115	15.7
227.17535	7.9
228.15939	13.4
321.26309	0.8
322.24814	29.6
339.27615	5.0
340.25864	5.2
435.33148	17.5
453.34320	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	453.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72270	0.7
54.35199	0.9
55.05520	1.0
55.47987	0.8
55.67163	0.8
57.03656	0.8
57.42262	0.9
59.50503	0.8
69.07058	9.2
69.82266	0.9
79.05469	2.0
82.76028	0.9
96.08128	38.3
97.06527	1.6
97.11598	0.9
109.51757	1.1
113.10770	22.8
114.09163	86.5
115.07528	1.8
123.04484	1.7
132.10205	1.9
137.02359	1.0
139.03874	1.0
161.35310	1.1
184.91753	0.9
186.87938	1.1
199.52327	1.0
208.18159	1.7
209.16473	53.6
210.14842	1.2
226.19115	9.7
227.17517	12.6
228.15923	16.0
245.18661	1.0
257.04547	1.4
280.03400	1.0
283.02377	2.2
301.03470	1.3
322.24893	17.3
339.27368	1.5
340.25928	7.3
433.66629	1.1
435.33383	9.1
453.34344	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	453.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03690	1.0
55.05498	1.4
63.07489	1.1
69.07052	9.2
69.64910	1.2
77.99169	1.3
79.05479	1.6
81.07057	1.5
83.08616	2.2
84.22085	1.2
87.47012	1.2
93.07061	1.5
95.08607	1.7
96.07540	1.4
96.08125	31.4
97.06506	1.1
107.08570	1.7
111.08087	1.8
113.10754	17.9
114.09157	77.9
115.07504	1.4
123.08083	1.3
132.10214	1.5
137.16010	1.3
148.05220	1.2
172.17761	1.4
185.08400	1.3
203.07011	43.1
203.38585	1.3
209.16481	57.0
210.16785	1.5
215.06970	1.5
217.08517	5.9
218.72693	1.3
226.19174	9.5
227.17548	11.0
228.15956	17.0
257.67645	1.4
263.20001	2.2
263.93347	1.2
322.24796	13.0
340.26041	6.5
341.24698	2.0
407.28867	1.2
435.33282	5.7
453.26810	6.2
453.34354	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	454.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49699	0.6
57.03425	4.2
57.03666	0.6
58.06552	0.8
59.05006	0.8
61.02896	0.6
69.03431	18.5
79.29670	0.7
83.95439	0.6
85.02900	19.1
87.03973	0.8
87.04468	13.0
92.18504	1.4
94.36922	0.7
97.02898	12.0
115.03938	7.3
123.04429	3.4
124.04729	1.2
126.10056	0.6
126.16481	0.6
127.03864	1.1
133.04973	3.1
139.03926	5.5
140.04216	3.4
142.06506	24.9
143.07317	3.7
144.08083	12.6
147.04552	0.8
159.06808	0.8
160.07565	76.6
182.53871	0.7
189.79585	0.7
202.08643	0.8
291.08423	1.0
292.09021	1.2
306.97372	0.7
322.12830	100.0
454.17041	66.7
470.57925	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	454.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89544	0.5
55.53706	0.4
62.49601	0.5
62.91398	0.4
69.03444	0.9
70.06593	57.0
81.03391	0.8
85.02904	0.6
97.02893	1.0
98.06062	1.1
101.49731	0.5
109.02886	5.1
112.07601	100.0
114.37713	0.5
116.07088	2.6
123.04465	0.5
127.03922	2.4
140.07065	35.6
158.08133	11.8
162.11203	2.1
163.03954	0.6
219.33305	0.5
266.10294	2.8
284.11267	21.4
302.12344	8.3
315.20770	0.5
436.18222	1.3
454.23193	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	454.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01957	0.5
59.05002	37.7
59.05299	1.3
61.58012	0.4
69.03424	2.5
73.02924	0.7
73.10230	0.5
81.03426	3.1
85.02901	3.3
97.02909	4.3
98.00334	0.5
99.04453	0.7
101.06013	16.9
108.04481	4.8
109.02864	4.3
114.09143	0.9
115.03926	3.9
126.05484	0.5
127.03889	3.2
129.05470	100.0
145.04958	1.0
147.06528	14.1
201.07625	0.8
226.25345	0.7
238.36121	0.5
273.09766	4.7
291.10721	13.0
370.52124	0.6
454.21021	3.9
454.29959	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	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48731	3.7
55.05511	10.9
59.76097	3.7
67.05508	46.1
69.07058	38.8
71.04980	22.7
79.05505	5.7
79.68083	4.5
81.07063	100.0
81.62241	4.1
83.08615	18.3
85.02899	68.0
87.04420	5.5
91.05502	6.0
93.07040	17.8
95.04942	6.1
95.08613	23.5
97.06581	4.9
99.04442	47.1
101.02391	6.9
103.03905	4.4
105.07020	24.0
107.08601	9.8
111.04414	10.3
115.03924	9.6
119.08572	26.7
121.06505	4.9
121.10137	9.6
123.11703	68.7
127.03918	9.9
133.10100	19.0
137.09567	5.1
137.13278	5.9
139.11224	6.9
141.12743	48.4
151.07515	5.0
153.09100	5.6
155.14299	33.4
161.09608	7.6
161.13257	64.0
165.09126	6.6
175.14848	25.7
179.14287	7.7
185.13274	5.3
193.15863	9.0
203.14302	18.6
221.15332	55.0
239.16422	73.6
257.17419	74.6
275.18661	9.3
313.76303	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05510	1.1
57.03224	0.7
57.03452	9.3
57.06821	1.4
57.07084	26.8
64.06573	0.7
67.05510	4.7
69.07065	4.8
71.08263	0.9
71.08633	25.6
77.88947	0.7
78.71474	0.7
81.07053	9.1
83.08615	6.9
85.10185	15.0
89.06039	1.7
90.89145	0.8
92.18498	0.9
95.08603	13.6
97.10165	3.3
101.82921	0.8
103.07589	1.9
109.10171	7.5
123.11668	1.7
152.99229	0.9
175.57877	0.7
269.57245	0.8
282.23911	0.7
282.24973	0.9
282.27829	7.9
313.27353	100.0
314.03180	0.8
352.91788	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	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.72988	1.0
53.21175	1.1
56.52681	1.4
57.03421	1.9
57.07078	25.9
62.06095	26.5
62.96278	1.4
64.08966	1.2
67.05490	1.7
69.07072	5.4
71.08636	18.9
81.07055	9.1
83.08607	7.2
85.10178	13.7
86.41981	1.3
95.08610	14.3
97.10169	2.7
98.20464	1.2
98.98490	2.3
100.45637	1.5
109.10166	8.1
120.64596	1.6
123.11680	2.4
155.01021	7.3
198.05356	1.4
216.06371	1.8
255.06827	1.4
264.96997	1.5
282.27914	13.1
313.27353	100.0
382.23132	1.5
393.23691	10.3
436.28113	24.4
454.29230	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	2.0
61.24880	1.1
69.07045	2.1
73.01962	1.0
81.07067	1.0
87.75445	1.1
94.10290	0.9
95.08579	1.9
112.06487	1.0
135.08041	5.8
148.92783	1.1
150.73511	1.1
151.07538	9.9
162.09035	1.6
166.52235	1.2
172.04938	11.3
190.08591	25.0
204.33414	0.9
213.08931	1.2
230.11729	1.2
305.28021	1.4
414.34656	6.0
454.34036	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	454.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.9
57.07077	5.2
69.07077	9.8
71.08623	3.8
78.61816	1.0
78.99703	0.9
79.59040	0.9
83.08625	7.8
85.10167	2.1
92.17915	1.3
97.10159	6.1
109.02876	5.6
111.11699	3.4
115.03931	2.0
127.03913	40.3
141.05472	1.4
169.08549	3.6
183.10172	9.2
195.10036	1.6
197.11838	2.1
211.13379	1.0
225.14874	1.0
239.16524	1.2
336.44363	1.1
389.92627	1.0
391.32043	100.0
403.14368	1.0
459.66858	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	455.117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28582	0.7
63.17372	0.6
83.06789	0.7
91.29594	0.8
98.97572	1.6
111.40744	0.8
112.89642	1.3
115.21467	0.7
143.01852	0.8
146.99599	0.9
173.01242	1.1
185.02994	0.8
201.00697	0.9
219.01768	4.8
219.07231	0.8
245.05064	3.8
251.04314	7.4
269.05417	6.7
277.07703	0.9
321.10153	1.8
365.09378	1.3
413.09796	3.1
455.11661	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45091	0.8
109.44662	0.9
112.89601	17.0
163.88953	0.9
169.23726	1.0
182.10069	0.8
198.84265	0.9
255.38071	0.9
455.11594	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	455.1336
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
54.43277	2.1
67.30211	2.3
78.57723	2.2
89.77404	2.4
94.87977	3.1
95.04977	3.1
107.04951	99.9
111.04461	3.6
118.02917	3.2
119.04941	71.3
121.02871	6.1
125.02341	3.9
137.05988	4.7
140.04686	3.1
141.05461	16.1
147.04404	73.7
151.03906	3.6
153.05447	15.1
163.03929	20.6
165.05428	14.1
168.09351	2.6
171.04541	3.1
179.10095	2.9
181.04948	100.0
181.06413	5.4
182.10970	3.1
183.11700	5.7
185.05983	3.7
193.04872	3.3
197.13237	10.2
213.09146	5.7
221.04434	14.7
227.07079	6.3
233.04530	3.0
237.05869	2.7
241.08534	18.5
243.06512	6.1
245.04404	4.8
245.08069	88.1
259.09668	11.9
269.04446	12.1
269.08017	20.9
271.69284	2.5
275.09155	2.9
285.07568	14.5
287.05560	11.5
287.09045	75.7
301.03934	4.8
301.07050	74.4
319.08163	37.3
331.08279	19.5
343.08203	4.8
395.18271	6.5
437.12677	3.6
455.13339	10.8
455.20636	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1524
Annotation	His-TyrMe-OH
Peak:m/z	Relative Intensity
52.90742	0.7
55.54988	0.7
58.00275	0.8
63.97837	0.7
77.35689	0.8
81.03397	1.2
122.03115	0.8
123.04433	8.8
139.03844	3.0
147.04413	1.9
165.05440	1.9
191.03337	3.1
331.29816	0.8
455.15173	100.0
455.21204	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	455.1524
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
55.91487	0.8
57.04618	0.9
95.01067	1.2
96.01777	0.9
96.98532	0.8
113.02125	3.5
123.04441	0.9
139.03894	4.1
169.03110	0.8
169.07129	0.9
184.03528	1.2
185.04227	5.4
201.03716	11.6
204.07587	11.6
245.06241	1.7
257.06131	0.9
293.09946	14.1
307.50519	1.1
394.83017	0.9
424.09946	0.9
455.15231	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	455.2795
Annotation	Withacoagin
Peak:m/z	Relative Intensity
55.05516	6.4
59.08485	1.5
63.74328	1.4
67.05498	3.5
69.03423	2.3
69.07069	13.4
79.05488	1.5
81.07054	9.4
83.08642	11.6
83.09071	1.6
91.05456	1.4
93.07037	7.0
95.04949	9.6
95.08609	17.9
97.06552	2.3
97.10119	1.5
105.07016	7.2
107.04944	1.7
107.08578	7.0
109.06478	2.6
109.10135	7.4
111.08063	12.3
113.09622	8.6
117.06944	2.3
119.08588	17.0
121.06533	3.7
121.10133	7.8
123.04395	3.6
123.08068	3.6
125.05966	2.7
131.08563	15.6
133.10109	8.6
135.11716	1.6
137.05980	8.2
143.08574	7.0
145.06483	2.5
145.10127	24.4
147.08047	5.7
147.11690	5.9
149.06003	2.3
151.03896	43.2
157.10123	8.8
159.08078	7.5
159.11667	15.6
161.09550	2.7
161.13254	7.1
163.11078	2.4
163.14735	1.6
164.82195	1.7
169.10130	2.0
171.07896	1.8
171.11743	2.7
173.09633	9.2
173.13242	45.4
175.14842	3.0
179.06989	3.2
179.14355	8.6
181.09944	2.6
183.11702	11.2
185.09605	5.9
185.13164	2.5
187.07555	6.3
187.11206	2.1
189.09000	1.9
191.14323	5.9
197.13347	2.2
199.11249	6.8
199.14842	3.2
201.12753	14.6
203.06952	3.3
203.10681	1.7
205.04938	3.3
205.08672	2.7
205.12283	2.0
209.09682	1.6
209.13383	1.8
211.14908	2.5
213.12732	1.8
219.13866	12.6
223.11198	2.7
225.12642	1.9
227.10641	6.6
229.12292	6.2
229.15892	3.1
237.12718	3.2
237.16452	1.9
251.14261	2.8
253.12187	2.4
253.15912	2.2
255.10162	5.6
255.17548	1.8
261.16431	1.7
265.15952	3.1
279.13925	3.6
279.17532	6.5
283.16937	2.5
285.07574	1.9
289.15665	1.9
297.14905	13.3
297.18268	3.6
301.17917	3.4
307.16858	13.3
311.20010	2.0
325.18036	24.9
329.21204	2.8
343.18948	9.1
353.17307	1.8
367.19016	7.9
371.18457	7.0
437.26303	17.6
455.27200	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	455.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.05514	4.8
67.05507	39.1
69.03426	4.8
69.07076	5.5
71.04985	18.6
72.69795	4.8
75.92347	4.8
79.05482	19.5
81.03425	100.0
81.07043	37.0
83.08633	4.5
84.21249	3.9
92.96874	4.6
93.07050	34.1
95.08602	49.4
96.62518	4.4
99.04414	6.0
102.37408	4.3
107.08586	29.8
109.02882	82.2
109.10141	21.4
119.08586	7.7
121.10104	32.9
123.11713	5.3
127.03919	6.4
131.08559	7.5
133.10123	9.6
135.11717	20.6
141.05457	4.6
145.10175	5.1
147.11702	5.3
149.13287	20.9
152.43381	4.4
159.11723	6.7
163.14830	5.7
173.13255	9.1
207.00636	4.9
243.21083	18.9
261.22159	73.7
290.27203	5.0
328.03030	4.9
423.27463	7.3
437.28763	33.3
455.29813	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
55.05517	3.3
57.03445	2.7
69.03417	4.3
69.07084	2.5
79.36038	1.9
81.07076	4.5
83.08630	4.1
93.07059	4.1
95.08608	2.7
97.10188	4.2
107.08594	4.8
109.06536	2.8
109.10178	18.7
110.84278	2.2
119.08591	1.8
121.10194	2.3
122.09660	8.4
123.04414	2.2
125.09629	29.5
127.07446	2.1
127.11203	3.6
133.10123	2.5
143.08585	12.4
145.10136	12.7
147.08044	8.3
147.11685	3.3
153.12733	3.6
155.08562	2.1
155.14278	3.5
157.10117	2.6
159.08047	4.1
159.11697	2.4
161.09622	4.4
169.10228	3.0
171.08067	8.3
171.11790	3.1
173.09630	3.6
173.13258	7.6
175.14774	2.1
183.08066	1.9
183.11707	10.0
185.09657	3.0
185.35712	1.8
189.09119	23.8
195.11740	2.6
197.09622	2.6
197.13234	2.9
199.11169	2.7
207.10092	6.8
207.11833	2.5
209.13318	2.8
213.12854	1.9
215.14267	3.7
225.12787	3.4
227.14258	4.1
237.16356	3.9
241.15874	2.9
253.16066	2.1
255.17575	4.6
257.15396	2.3
265.16000	7.7
283.16995	8.8
293.19128	4.0
299.16470	22.4
301.18243	10.0
311.20132	10.4
321.18491	2.6
329.21167	9.2
357.20654	3.4
437.30719	7.3
455.31644	100.0
473.39877	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	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00644	0.6
55.05518	6.4
67.05488	1.3
69.07072	8.4
71.05002	1.0
71.08599	0.8
75.33528	0.7
81.07059	5.5
83.08617	4.1
92.18497	2.2
93.07047	5.6
95.08620	7.8
97.10161	6.7
105.07034	4.3
107.08589	8.9
109.06532	3.3
109.10155	11.2
111.08067	1.8
117.07025	1.0
117.18388	0.8
119.08566	4.4
121.06526	1.7
121.10150	4.9
123.08052	3.0
123.11701	1.4
125.09609	3.4
127.11150	1.7
131.08597	5.7
133.10133	4.4
135.08093	1.4
135.11693	5.0
137.05968	1.3
137.13251	4.0
143.08549	3.4
145.10150	13.8
147.08032	2.0
147.11678	4.0
149.13281	1.4
155.08528	1.3
157.10143	1.6
159.08037	1.1
159.11705	5.8
161.09610	4.0
163.11154	3.2
167.40541	0.9
169.10117	1.6
171.11636	1.3
173.09647	8.8
173.13257	30.3
175.14803	1.8
177.16289	1.1
177.50305	0.8
177.64241	0.9
181.10057	0.9
183.11685	3.3
185.09621	1.0
187.11154	1.0
187.14861	1.2
189.09105	5.1
189.16373	1.2
191.10663	5.0
195.11702	1.2
197.13232	3.4
199.11223	1.7
201.12769	3.9
205.15805	1.1
207.10033	1.1
209.11623	1.9
209.13409	1.9
211.11157	1.4
211.14799	1.1
213.12755	1.5
215.14403	1.5
221.13341	1.2
223.11113	1.4
225.12714	3.3
227.14322	1.9
227.17857	1.0
229.12305	1.8
229.19594	4.8
231.13771	1.3
237.12750	1.1
237.16371	1.2
239.14293	1.3
247.14894	1.1
247.20508	1.9
249.14621	2.6
253.15828	1.5
255.17365	1.1
261.07730	1.3
265.15985	1.4
265.19495	0.9
281.15271	1.6
283.16974	1.9
283.20422	0.9
293.19113	3.6
295.16693	1.0
301.17975	6.7
311.19937	5.7
329.21027	11.4
335.20221	1.0
336.35434	1.0
339.19568	1.7
353.21207	10.9
375.07996	0.9
419.29370	3.7
437.30545	17.7
440.29156	3.2
455.31546	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	455.3155
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.36621	0.9
55.05502	7.1
57.03415	1.2
59.94778	1.2
60.00410	1.1
60.28988	1.1
67.05506	1.8
67.94850	1.1
69.03423	2.1
69.07060	2.8
71.04942	1.2
79.05496	1.6
81.07056	2.3
83.08607	2.9
85.06552	12.6
91.05457	1.2
93.07017	6.1
95.08585	5.9
95.25368	1.2
97.10207	9.2
97.10701	1.1
101.22736	1.1
105.07011	2.4
107.08572	2.9
109.06503	1.9
109.10160	12.1
119.08578	2.4
119.09444	1.1
121.06511	1.8
121.10139	3.0
123.08070	2.0
125.09651	12.2
127.11184	2.2
131.08565	6.3
133.10133	2.4
135.11674	2.3
137.13208	2.2
143.08495	1.4
145.08565	1.9
145.10149	10.1
147.08058	2.0
147.11655	1.7
151.25865	1.3
155.14313	2.3
160.63817	1.3
171.08032	2.9
173.09607	6.6
173.13251	54.6
179.61626	1.2
183.11693	2.0
185.13232	2.0
189.09111	6.2
191.10674	6.5
195.11725	2.7
197.13199	2.1
201.12769	5.7
207.10049	1.6
209.13379	2.2
213.12842	1.5
218.89993	1.1
223.14749	1.7
225.12764	1.8
227.14273	2.0
235.14946	2.2
237.16225	1.3
253.15923	2.8
255.17410	1.3
265.15970	1.8
265.19571	1.9
283.16940	5.1
283.20529	1.4
293.19180	1.7
301.17957	15.4
311.20026	14.2
313.21548	1.4
329.21054	18.9
331.22690	2.5
353.21039	7.8
357.20618	1.7
437.30396	12.2
455.21182	8.0
455.31531	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	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.3
57.03446	0.6
57.07072	0.9
59.73765	0.3
61.61052	0.3
67.05491	2.4
69.03429	0.8
69.07076	4.2
71.04977	0.4
74.18351	0.3
79.05499	0.7
81.07079	5.3
83.04950	0.5
83.08629	6.6
85.06553	0.5
91.05458	0.7
93.07053	4.2
95.04971	1.0
95.08599	6.5
97.06512	1.0
97.10178	3.7
99.08084	0.6
105.07058	3.5
107.08590	4.5
109.06528	2.6
109.10162	8.5
111.08083	0.9
113.09651	2.4
117.06970	1.0
119.08582	3.8
121.06506	1.9
121.10151	3.4
123.04433	0.7
123.08064	0.7
123.11716	0.6
125.09612	2.1
127.11209	2.2
129.06985	0.5
131.08563	5.0
133.10124	4.1
135.04359	0.4
135.08047	0.9
135.11687	3.6
137.06007	1.5
137.13258	1.9
143.08511	2.9
145.06561	0.5
145.10136	6.2
147.08031	2.5
147.11653	3.7
149.09637	0.6
149.13228	0.6
151.11235	0.6
153.12729	3.4
155.08551	0.7
157.10115	2.6
159.08072	1.6
159.11725	2.8
161.09607	2.3
161.13142	0.5
163.11177	0.6
169.10176	1.8
171.08057	1.9
171.11690	2.3
173.09634	6.4
173.13263	18.9
175.11237	0.5
175.14842	1.7
179.14305	0.5
181.10188	0.6
183.11722	2.4
185.09683	1.7
185.13261	3.2
187.11110	0.5
187.14819	1.8
189.09114	2.7
189.16373	2.4
191.10664	6.8
191.14217	0.5
193.10139	0.8
194.34421	0.5
195.11710	1.8
197.13316	2.3
199.11143	2.1
199.14841	0.7
201.12746	2.5
207.11833	0.5
207.17502	1.8
209.09850	0.5
209.11705	1.6
209.13380	1.0
211.11208	0.9
211.14906	0.6
213.12837	3.9
213.16457	0.6
217.12283	0.8
221.13332	0.5
223.11076	0.6
223.14824	0.6
225.12752	2.8
225.16521	0.5
227.14395	0.9
229.12204	0.4
231.13766	8.3
235.14842	1.5
237.12733	0.9
237.16429	1.9
239.14336	2.2
239.17799	0.5
241.15843	0.6
247.20555	5.6
249.14804	7.7
251.14343	1.6
252.15022	0.6
253.15868	0.8
255.13876	0.5
255.17435	0.8
263.14191	0.9
265.16003	3.0
267.17328	0.6
281.15436	1.6
283.17044	4.8
283.20053	0.7
291.17615	0.5
293.19116	1.9
295.17059	0.9
295.20673	0.7
297.18481	0.8
299.16425	3.6
300.17184	0.8
301.17969	14.4
307.16837	0.6
309.18680	0.5
311.20111	1.8
321.18378	0.6
323.20313	0.5
325.17923	0.9
329.21072	4.2
331.22665	0.8
335.20184	0.8
339.19629	0.6
341.21002	2.4
353.21149	0.8
354.21967	1.8
372.53119	0.5
379.26404	0.6
419.29446	2.7
437.30692	8.6
455.31583	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	456.1478
Annotation	HZ52
Peak:m/z	Relative Intensity
62.50474	0.9
69.45663	0.9
85.06544	0.9
97.58720	1.0
100.50386	0.9
113.21771	0.9
121.96834	1.0
133.16350	1.0
147.04387	1.6
148.04749	1.6
183.55862	1.0
187.20479	1.0
324.10571	5.6
456.14716	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	456.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40660	0.8
70.06592	64.3
98.06060	4.8
98.07428	0.8
106.02960	2.0
109.02863	5.3
109.10139	4.1
112.07600	100.0
116.07035	1.1
124.03902	1.6
127.03890	1.2
127.11188	6.4
138.05458	1.5
140.07063	42.9
146.68338	0.8
158.08109	12.0
213.09572	1.1
266.10239	2.1
284.11230	16.1
302.12277	6.2
304.08035	1.1
392.02344	1.0
432.35220	1.0
456.12762	1.5
456.21863	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	456.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26982	0.4
66.10669	0.5
91.26849	0.5
99.37086	0.5
133.80209	0.5
196.20787	0.5
241.13283	0.8
258.13507	3.4
259.14383	92.8
345.26843	0.5
380.19748	5.7
382.21219	100.0
404.32507	0.6
425.19553	4.3
426.20175	18.6
438.26877	0.6
456.21292	80.1
456.27826	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	456.2128
Annotation	Renieramide
Peak:m/z	Relative Intensity
52.33064	0.5
67.92644	0.5
81.07049	1.0
82.67278	0.6
101.94769	0.6
118.62774	0.6
241.13364	1.2
258.13550	5.6
259.14380	97.8
275.57803	0.5
289.11877	0.6
366.17740	0.6
380.19739	6.7
381.20169	0.7
382.21198	100.0
425.19382	3.1
426.20190	22.8
456.21225	88.8
470.12546	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	457.1475
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
67.78431	1.0
69.03388	1.4
75.09670	1.2
84.60836	1.0
120.89235	1.2
124.07533	2.1
131.04912	1.7
147.04457	1.0
239.05792	2.4
252.16473	1.3
257.06894	1.9
278.37622	1.1
284.53162	1.0
295.08136	1.3
328.25604	1.1
457.14316	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	457.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	40.2
59.56118	0.5
69.03423	4.6
71.04969	0.9
73.02924	1.1
73.13316	0.5
73.64793	0.5
81.03417	2.6
83.54151	0.6
85.02895	4.9
85.06483	0.5
87.04446	2.9
97.02876	6.6
99.04438	1.0
101.06020	17.4
109.02876	3.0
115.03916	11.1
126.92009	0.6
127.03915	4.5
129.05470	100.0
132.04446	9.3
139.03969	0.8
145.04945	2.8
147.06508	19.4
177.09050	0.6
218.08107	1.2
236.09322	1.1
253.23500	0.6
259.08194	1.1
273.09708	2.7
291.10718	18.2
358.23459	0.6
403.25027	0.7
408.13281	0.7
421.26123	1.1
457.19684	6.6
472.29919	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	457.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10909	0.6
56.33130	0.6
78.93702	0.7
81.22246	0.6
95.97858	0.7
109.02783	0.8
129.09122	0.9
200.10738	0.8
206.54031	0.7
214.12335	1.5
221.47121	0.7
225.17784	0.7
241.10916	1.4
241.54443	0.7
242.11736	100.0
259.14413	1.7
259.25964	0.8
260.12674	13.7
297.33807	0.7
363.17194	6.3
365.18585	40.1
381.18115	7.0
383.19482	25.8
409.17532	1.2
412.23785	0.9
426.17987	3.1
427.18677	15.0
457.19632	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2043
Annotation	Tyr Gln Phe
Peak:m/z	Relative Intensity
51.77215	0.5
53.12500	0.5
54.96534	0.5
57.19668	0.4
57.80590	0.5
67.41702	0.5
76.17495	0.6
90.80231	0.6
130.28885	0.6
137.05969	3.1
160.65439	0.6
295.14993	1.0
313.16168	1.0
457.20441	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	457.2043
Annotation	Tyr Phe Gln
Peak:m/z	Relative Intensity
67.16113	0.6
70.06580	0.8
78.26775	0.6
85.39600	0.6
90.84829	0.6
93.07032	0.9
98.71001	0.6
99.04433	0.9
115.08705	0.7
129.09106	0.7
136.07446	0.9
139.09290	0.8
224.08199	0.7
295.15170	4.2
313.16452	1.3
457.20190	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	457.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
61.02912	0.6
64.69248	0.4
65.66658	0.4
69.03438	3.9
69.41706	0.4
71.04980	0.4
72.18649	0.4
72.91666	0.4
73.02917	1.0
76.43547	0.4
81.03412	1.0
85.02905	5.6
87.04466	1.0
88.03947	0.5
97.02903	2.1
99.04444	2.3
109.02892	0.9
109.10164	1.0
112.11199	0.8
116.82414	0.4
119.04898	0.5
127.03940	1.0
139.03900	0.6
146.06004	2.0
147.04413	3.9
161.10728	42.7
174.05582	0.6
174.11176	0.4
245.12579	0.4
260.00592	0.5
269.05280	0.4
295.16510	50.5
360.09534	0.9
457.21817	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	457.2214
Annotation	Flagranone A
Peak:m/z	Relative Intensity
55.05500	4.0
59.85107	3.5
64.66580	3.2
69.07082	3.8
79.05494	15.7
81.07058	6.3
83.04964	26.3
85.02910	5.1
91.05487	5.2
93.07071	6.4
97.06536	16.0
105.07006	18.1
107.04972	6.0
107.08620	4.6
109.02828	3.6
109.06525	5.5
117.07025	5.3
119.08563	14.2
121.06476	7.0
121.10122	8.3
123.08040	13.6
129.07040	3.5
131.08595	14.6
133.06509	4.1
133.10124	6.8
135.08073	6.5
137.09550	3.7
142.07742	3.4
143.08577	19.4
145.06471	5.2
145.10092	7.1
147.08031	6.6
147.11710	5.1
149.09621	13.1
151.07495	4.0
155.08611	5.4
156.09370	5.6
157.10078	7.7
159.08078	8.3
159.11650	16.6
161.09615	13.3
169.10120	8.4
171.07994	4.1
171.11720	6.4
173.09651	8.5
175.11163	13.5
176.35054	4.5
177.12823	5.0
181.10127	5.1
183.11714	8.1
185.09616	8.5
185.13228	3.6
187.11166	13.9
188.51994	3.8
189.09090	7.7
189.12671	5.0
193.10129	14.7
195.11804	5.0
197.09663	4.6
199.11172	22.1
203.10704	3.6
205.12204	41.2
206.10950	4.4
207.10126	20.6
207.11771	15.6
211.11148	13.2
217.12202	27.6
225.12778	7.0
235.11143	4.2
237.12619	4.5
247.11212	4.7
247.13213	24.9
249.16335	15.3
251.14284	3.9
253.15872	5.1
267.17520	15.0
269.91745	3.5
277.15875	23.8
295.16928	70.6
313.17908	80.2
337.17950	13.6
355.19031	87.4
397.19965	32.9
415.21194	35.8
457.22202	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	457.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88590	3.4
76.03725	3.5
79.05515	4.1
93.07064	4.4
95.08586	4.8
97.06510	15.1
105.06995	6.1
107.08611	7.2
117.61069	4.8
119.08628	8.3
121.06488	6.4
121.10170	5.2
126.99841	3.8
133.06490	28.4
135.07986	7.9
143.08531	8.6
145.10037	6.3
147.08073	8.8
149.09598	4.7
157.10059	17.2
159.08022	6.7
159.11691	4.9
167.08588	4.1
169.10132	16.8
171.08145	6.7
171.11627	6.3
173.09616	19.6
175.07584	5.4
179.08464	5.6
181.10088	15.5
183.11694	8.8
185.09648	6.3
187.11214	4.6
192.09261	7.4
193.10158	22.4
195.11714	18.7
197.09637	23.2
197.13293	6.4
199.11227	6.4
205.09993	6.8
206.10863	6.5
207.11749	31.0
209.13251	15.0
211.11261	18.0
211.14644	5.0
213.12759	8.4
219.11679	8.2
220.12556	5.3
221.09573	6.6
221.13281	6.9
223.11157	8.6
223.14842	7.6
224.11726	3.9
225.09108	4.5
225.12730	21.3
231.13730	6.1
234.14099	16.1
235.11209	6.5
235.14815	7.8
237.12643	9.6
239.14378	4.7
249.16365	30.3
250.13641	4.9
251.14267	5.9
253.15762	6.9
259.14886	8.0
262.13556	19.5
265.15906	5.6
267.17310	32.7
277.15912	69.5
295.16879	100.0
313.17932	17.7
337.17960	43.9
355.19055	39.5
397.20053	16.9
415.21170	32.1
457.22101	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37517	3.9
55.70470	3.7
67.05504	6.5
68.85110	3.4
69.03437	9.4
69.07065	6.2
79.05486	9.4
79.96680	4.3
81.07053	24.0
82.63998	4.1
89.98182	4.8
91.05494	41.6
93.07033	31.2
95.04953	33.3
97.06536	9.9
105.07018	32.3
107.08577	29.7
109.06538	7.2
111.04453	5.3
117.07016	8.2
119.08565	22.4
121.06494	9.3
121.10131	27.0
123.08061	22.5
129.06976	9.5
131.08562	77.6
133.06509	8.2
133.10120	6.7
135.08060	46.1
137.09613	24.6
143.08574	20.2
145.10117	19.0
147.08044	19.8
149.09618	92.1
155.08545	17.1
157.10175	9.2
159.08026	45.4
159.11676	9.6
161.09648	25.1
163.07538	84.1
167.08553	10.1
169.06554	5.4
169.10112	17.6
171.07985	6.6
171.11713	8.0
173.09639	24.2
175.11249	17.6
177.09114	24.0
179.08540	9.3
181.10063	7.9
183.08073	6.0
183.11739	9.4
185.09689	5.5
187.11163	66.9
189.12782	17.2
191.10655	19.7
192.09261	5.1
193.10127	21.4
194.10764	5.0
195.11766	9.3
197.09694	17.1
197.13242	9.5
199.11192	8.2
201.12805	10.4
205.08618	6.2
205.10332	5.7
206.10931	16.7
207.11636	20.9
209.13283	9.6
210.10419	7.7
211.11104	10.6
213.12677	5.9
215.10542	6.1
217.12141	6.8
219.11734	21.8
220.12491	6.5
221.13362	9.4
223.11273	10.7
223.14787	20.2
225.12717	26.5
229.12190	9.5
234.13998	26.6
235.11346	6.6
235.14755	5.4
237.12822	19.5
239.17967	9.2
241.15875	6.7
244.12465	6.6
247.11119	19.8
249.16393	42.1
251.14272	18.0
252.15178	8.8
253.16066	5.4
259.14792	7.9
262.13495	24.5
265.15918	7.5
267.17447	50.7
271.13184	7.7
277.15851	71.1
295.16943	100.0
309.18521	7.7
313.17957	25.8
337.17899	41.0
346.65295	4.4
355.19098	33.5
366.81815	4.9
397.20081	10.6
415.21024	24.9
457.22226	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83266	4.9
51.04831	5.3
53.75774	5.8
55.05517	5.2
68.45045	5.3
69.03407	5.9
79.05488	6.7
83.04980	11.6
88.53461	6.7
93.07036	7.2
95.08605	10.6
97.06519	9.8
98.02973	5.9
105.07037	24.1
107.08575	7.0
109.06477	7.2
117.07028	8.0
119.08556	58.3
121.06439	7.4
121.10120	8.4
123.08019	8.2
131.08580	13.8
133.06496	6.6
133.10144	7.9
137.09625	10.1
143.08505	14.2
145.10100	29.5
147.08026	8.4
149.09639	11.8
151.07539	6.6
155.08502	7.2
157.10080	11.5
159.08047	8.3
159.11688	13.7
161.09592	11.1
169.10170	10.1
171.11656	32.8
173.09644	11.5
175.11174	8.6
177.12639	7.8
181.10114	10.2
183.11636	10.6
185.09708	12.3
187.11206	13.9
192.09328	7.2
193.10112	8.8
195.11674	29.2
197.09729	9.5
197.13254	14.2
199.11191	10.0
201.09163	8.2
205.10274	9.0
205.12239	33.6
207.09990	8.8
207.11702	32.2
211.11218	9.2
213.12801	11.0
217.10255	8.1
217.12292	24.7
221.13309	10.6
223.11179	6.7
223.14803	9.7
225.12729	12.3
234.13982	7.8
235.11157	9.7
239.10588	7.3
244.12393	8.5
247.11055	10.1
247.13260	9.9
249.16489	26.1
251.14241	10.8
259.14984	8.9
262.13492	23.8
265.15918	10.0
267.17447	37.3
277.15799	48.5
285.18381	6.6
295.16925	100.0
313.17847	97.8
315.80109	5.5
337.18030	24.3
355.19083	65.0
373.20160	8.4
397.20032	10.7
415.21011	8.9
457.22363	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12160	2.5
55.41997	2.7
67.16876	2.7
69.03423	4.6
69.07065	3.9
70.49448	2.8
79.05470	5.9
80.60445	3.0
81.07044	14.5
83.04961	7.7
91.05457	6.9
93.07057	5.2
97.06534	5.4
105.07015	7.9
107.08578	13.8
109.06501	4.8
109.10106	3.5
117.06995	6.9
117.38879	3.1
119.08565	7.0
121.06515	6.6
121.10105	5.2
123.08080	5.1
131.08588	5.6
133.10115	6.7
135.08054	13.0
136.68028	3.2
137.09621	6.9
142.07727	2.9
143.08606	10.9
145.10124	16.0
147.08058	6.9
149.09590	15.4
151.11188	4.1
157.10147	5.8
159.07994	19.5
161.09607	11.5
163.07515	4.6
169.10147	5.7
171.08093	5.5
171.11662	7.2
173.09595	13.2
175.07628	3.5
175.11212	7.4
177.12724	4.5
181.10181	4.8
183.11656	6.0
187.11246	12.1
189.12737	7.2
193.10144	7.5
194.10925	3.8
195.11626	6.1
197.09558	6.9
197.13226	5.9
199.11191	22.0
203.10712	5.6
205.12251	20.5
207.09872	4.6
207.11708	13.3
209.09705	4.1
211.11197	14.6
213.12755	6.7
217.12245	18.6
219.11681	5.9
220.12350	3.3
225.12798	6.4
234.14055	14.7
235.11105	3.5
235.14798	4.3
239.14369	4.0
239.17924	6.2
247.13118	5.2
249.16484	13.5
252.15024	4.9
253.12367	4.1
253.15858	6.6
255.13974	3.6
262.13596	4.3
267.17480	18.5
269.15335	3.8
277.15756	29.4
295.16855	75.8
313.17953	100.0
337.18008	18.7
355.19052	70.3
356.07693	3.5
373.20178	5.9
397.20435	16.2
415.21161	23.2
419.42502	3.3
457.23532	37.5
481.84460	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	457.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75905	0.4
66.82893	0.4
73.08393	0.4
73.73359	0.3
81.07061	0.5
85.02940	0.5
85.06527	0.5
86.09722	0.5
105.88099	0.4
123.04424	0.6
131.80373	0.4
137.05991	2.5
138.09126	0.6
151.03888	0.6
163.66722	0.4
183.90164	0.4
250.55751	0.4
277.17844	0.6
280.82660	0.4
295.18710	0.7
439.10666	0.6
457.24121	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	457.2409
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
52.97987	0.4
64.19444	0.4
67.20221	0.5
68.35909	0.4
84.66068	0.4
96.87074	0.4
125.87817	0.5
126.16658	0.5
137.06033	1.8
143.17378	0.5
169.93765	0.5
185.04309	0.5
227.07588	0.5
281.42603	0.5
321.11600	0.5
360.82043	0.5
439.23645	0.5
457.24173	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	457.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93742	0.9
54.80496	1.0
55.05517	26.4
60.30748	1.1
69.03423	2.2
74.95858	1.0
78.50318	0.9
79.05484	2.6
81.07055	6.5
83.04984	100.0
91.05482	1.3
93.07029	5.9
95.08576	5.3
95.54313	1.0
105.07032	6.2
106.17917	1.1
107.08588	16.4
109.06503	4.8
109.10145	2.6
119.08569	10.8
121.06490	2.1
121.10106	3.8
131.08530	2.4
133.10094	4.4
135.08046	2.3
137.05946	1.2
142.07779	1.5
143.07007	7.7
143.08530	2.5
145.10078	2.1
147.08043	1.9
147.11761	1.5
149.09531	8.9
157.10112	5.7
159.08066	4.5
159.11673	4.6
161.09627	5.7
163.11197	1.9
165.09039	1.7
167.08498	1.2
169.10126	1.4
171.08072	1.7
171.11662	1.8
173.09650	4.8
175.11166	1.6
177.54341	1.1
181.10107	1.3
183.11757	1.7
185.09615	3.9
185.13263	1.7
187.11243	2.4
189.12775	2.4
195.11729	5.3
197.13107	1.2
207.11801	1.9
209.13246	4.3
213.12729	2.5
221.13158	1.6
223.11104	2.5
227.14261	2.4
237.12679	2.2
241.12186	1.7
241.19608	1.4
249.12831	1.3
251.18018	2.2
255.17610	1.2
269.19049	6.6
279.17542	11.2
282.15704	1.2
284.92352	1.0
297.18491	45.8
307.20486	1.2
397.23563	2.4
402.98013	1.1
457.25873	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	457.2562
Annotation	Emeremophiline
Peak:m/z	Relative Intensity
52.42218	0.8
69.07040	1.1
77.33382	1.0
82.46033	1.2
83.08595	1.1
85.01793	1.1
92.17902	1.5
93.07008	1.0
95.08607	1.5
105.03333	1.2
105.07018	1.7
107.08578	5.9
109.10152	2.2
112.11267	1.1
135.08052	25.1
138.22705	1.0
186.61034	1.2
212.91057	1.1
229.19701	1.1
262.13367	1.0
269.84250	1.2
299.36102	1.1
397.23477	23.8
457.20114	6.0
457.25543	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	457.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.5
58.25304	4.3
68.36662	3.4
69.07053	7.9
69.95924	3.6
70.62316	3.4
79.05482	7.4
81.07057	18.1
83.04975	43.2
83.08611	6.3
91.05482	6.7
93.07029	28.7
95.04961	30.1
95.08594	18.2
105.03443	4.1
105.07027	21.7
107.08588	48.3
109.06519	8.1
109.10170	13.4
111.08015	4.2
115.05538	4.0
117.07011	15.7
119.08568	36.6
121.10125	16.1
131.08571	20.2
133.06445	7.4
133.10129	22.4
135.08060	39.4
137.09616	4.5
141.06961	5.2
143.08571	27.0
145.10178	30.9
147.08101	15.5
149.09619	6.1
153.07042	4.4
155.08597	19.0
157.10101	17.4
159.08025	4.9
159.11652	7.9
161.09627	24.6
165.06935	4.8
167.08586	7.6
169.10117	7.5
171.11736	16.0
173.09586	6.7
175.07556	6.1
175.11237	6.3
181.10120	27.5
183.11702	28.2
185.09581	5.5
185.13277	9.1
193.10153	5.0
195.11722	27.1
197.09637	4.9
199.11417	4.8
207.11658	7.7
209.13242	7.1
213.12671	6.4
219.11673	6.7
221.13277	6.2
223.11209	7.8
223.14793	5.4
237.12727	5.6
246.14110	7.9
251.17992	23.9
253.15804	6.3
261.16467	21.0
268.18192	7.7
269.19028	22.6
279.17404	63.5
297.18530	100.0
339.19687	5.1
342.09106	4.3
441.47992	4.3
457.25708	57.9
457.32544	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	457.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03431	4.5
57.07072	2.6
60.29319	0.9
67.05502	11.9
69.07056	2.2
71.08613	1.3
79.05482	6.9
81.07061	10.5
85.06525	1.5
85.10165	1.2
91.05483	2.7
92.18479	2.4
93.07048	9.9
95.08602	10.4
96.77998	1.1
105.07028	5.5
107.08588	8.1
109.10134	4.1
113.00011	100.0
114.75834	1.1
117.07040	1.9
119.08569	4.6
121.10127	15.1
130.97365	1.0
131.08551	6.4
133.10129	4.7
135.08038	1.5
135.11665	11.2
145.10110	10.4
149.09570	7.4
159.11682	6.1
163.11192	4.4
169.02599	88.0
173.13252	5.3
177.12808	1.2
181.23186	1.2
186.20744	1.0
187.14882	1.7
189.16307	1.1
191.18022	1.2
205.19531	1.8
231.74661	1.2
261.25787	2.2
271.24164	16.3
289.25250	42.4
295.06201	1.4
363.20230	1.4
375.60434	1.2
457.27094	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	457.2949
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
51.10820	1.6
54.26454	1.3
54.99347	1.3
55.05519	12.4
69.03429	8.8
81.07066	15.4
83.08605	10.9
85.06544	7.2
93.07050	2.0
95.08594	3.9
99.08101	15.1
107.08569	2.0
109.10152	3.0
111.08087	2.3
121.10120	3.0
127.07536	10.8
129.05492	3.0
133.10051	1.8
136.28168	1.7
137.09665	1.9
143.08600	2.3
145.10141	2.8
147.11679	2.0
161.09717	2.1
163.11211	1.9
169.10020	1.5
171.08038	2.5
171.11659	2.9
173.09648	11.0
173.13223	3.4
176.73642	1.6
191.10692	11.2
197.09682	1.7
209.11742	3.3
213.12762	3.5
224.07971	1.8
225.12701	1.8
227.14201	2.0
231.13864	3.8
249.14877	7.7
265.15915	2.8
283.16965	6.6
301.17926	18.0
329.20963	2.6
331.22800	2.9
359.60080	1.7
399.25217	2.9
421.27081	6.2
439.28259	14.2
457.20221	24.5
457.29507	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	457.2948
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.96554	0.9
55.05514	1.3
58.99639	0.9
69.07067	1.9
74.38358	1.0
81.07067	1.6
83.08621	6.6
90.47952	1.1
92.18519	1.2
93.07027	2.1
95.04942	7.4
95.08604	10.8
105.07001	2.2
107.08556	1.4
109.06535	1.9
109.10176	1.8
111.08076	11.1
113.09651	8.3
113.17025	1.2
121.06451	1.3
121.10123	2.3
123.08027	4.2
135.08044	1.6
141.12811	1.1
143.08559	2.1
145.06482	2.5
145.10080	4.9
147.08040	6.2
147.11765	1.9
153.09035	1.1
157.10222	1.1
159.11694	2.0
161.09608	5.9
161.13257	4.0
163.11172	1.1
173.09616	5.1
173.13249	2.3
175.11189	1.2
179.14285	4.5
181.10143	1.6
183.11526	1.5
185.09660	4.4
185.13181	1.3
187.07600	1.5
187.11192	2.0
189.09146	7.0
194.06227	1.0
197.09535	1.5
197.13377	1.4
199.11133	4.4
201.12685	1.9
201.16412	1.1
203.10902	1.1
203.14328	1.4
209.13228	1.3
211.11125	2.5
211.14784	1.1
213.12727	7.1
215.10641	2.4
225.12706	10.7
229.12184	4.7
237.12672	1.7
239.14377	5.9
241.15898	4.2
249.12837	1.3
253.12143	1.2
253.15868	6.9
257.11594	1.2
259.14383	12.2
260.14694	13.7
263.14368	1.5
265.15872	1.4
267.13724	1.3
267.17468	4.6
269.15189	1.3
271.16953	7.4
281.15298	7.0
281.18893	1.8
283.16983	1.2
285.18393	1.3
291.17450	1.8
299.16415	21.7
309.18378	12.0
311.19690	1.5
327.19492	15.1
345.20575	7.9
351.19611	1.3
355.18973	4.7
369.20569	7.0
373.20096	3.9
383.21530	21.0
383.25986	1.8
421.27493	1.8
427.20367	2.3
439.28366	17.3
457.21732	20.8
457.29449	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	457.2947
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
50.37468	1.1
55.05506	2.1
69.07071	1.5
81.07053	2.5
83.08595	5.4
93.07034	1.9
94.52304	1.0
95.04954	2.8
95.08614	14.1
101.28066	1.3
105.07032	2.2
107.08585	2.5
109.06503	2.6
111.08073	10.5
111.94759	1.2
113.09615	6.4
119.08535	5.5
121.10118	6.4
123.08083	2.2
139.11165	1.5
141.12775	1.3
143.08585	1.9
145.10130	5.5
147.08026	2.8
147.11653	1.6
151.11084	1.3
159.08002	2.1
159.11626	2.0
161.09567	5.8
171.08022	2.8
173.09598	7.1
173.13217	5.5
175.07573	2.0
183.11623	1.3
185.09584	1.9
185.13193	1.6
187.11208	4.7
189.09114	6.6
197.09650	2.5
199.11140	5.0
201.12747	2.8
201.16512	1.4
211.11156	6.7
213.12756	6.5
215.10689	4.5
223.11275	1.6
223.14929	1.4
225.12770	10.3
229.12234	6.3
231.13785	2.3
237.12749	2.1
239.14328	5.6
241.15788	1.5
247.13113	1.7
251.14003	1.5
253.15874	7.6
255.13788	4.8
263.17841	1.5
267.17505	6.8
271.16879	14.5
281.15439	4.8
281.18839	4.9
283.16785	1.9
291.17392	2.3
299.16382	21.7
299.19812	2.2
309.18460	12.3
327.19510	12.4
345.20541	11.1
355.19089	2.0
439.28439	19.9
457.29443	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	457.3308
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
50.10807	1.1
55.05522	2.3
56.01192	1.0
57.06818	1.3
57.07082	28.8
63.91433	0.9
64.74893	1.1
67.05504	12.8
69.07055	5.1
71.08637	2.5
74.43438	1.3
77.64829	1.1
79.05450	1.5
81.07053	9.0
82.27990	1.1
83.04194	0.9
83.08602	9.2
85.10169	2.2
91.05456	1.1
93.07031	4.5
94.09867	1.1
95.08582	4.3
97.10176	1.9
105.07063	2.3
105.09193	1.0
107.08590	4.8
109.10152	67.2
111.08035	1.5
119.08578	2.1
121.06507	2.1
121.10114	4.5
127.11176	7.4
131.08562	2.2
133.10095	1.7
137.09639	1.4
137.13266	5.1
143.08574	1.8
145.10106	5.8
147.08025	4.3
147.11693	2.7
149.09660	1.2
155.14301	1.1
157.10054	1.4
161.09732	1.9
161.13338	2.1
171.08054	2.0
173.09608	18.9
173.13173	1.4
185.13182	1.9
187.14810	1.3
189.09082	1.2
191.10637	13.6
192.21413	1.1
197.13245	1.9
199.11378	1.7
199.14966	1.2
207.17451	1.3
209.09610	1.4
209.11694	2.6
209.19109	1.7
213.12791	1.8
218.42387	1.1
221.13258	1.6
225.12691	1.5
227.14478	1.1
231.13806	4.4
239.14384	1.7
249.14871	5.8
255.17426	5.0
265.16022	1.7
267.17270	1.6
275.97412	1.2
283.16937	9.1
295.20651	5.6
301.18024	34.0
302.18863	8.0
313.21613	11.8
329.21143	2.5
331.22650	38.3
331.26358	1.6
337.21594	1.3
355.22781	1.6
370.43365	1.3
421.31012	1.8
439.32132	21.4
452.34039	1.4
457.33170	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	458.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03907	0.4
68.53689	0.3
69.03420	0.4
70.06595	37.9
76.09876	0.3
77.22689	0.3
78.28339	0.3
85.02888	2.3
89.22529	0.3
97.02901	0.6
116.07090	100.0
127.03925	0.5
199.06276	0.7
257.03134	0.4
263.06137	0.4
264.06268	0.7
271.08447	0.5
277.07745	0.8
278.08072	1.9
280.08936	0.7
296.08646	0.4
361.11526	1.8
379.11197	0.9
397.11743	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	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.6
57.07081	14.3
60.05071	1.0
63.39713	1.1
63.54250	1.1
67.05484	1.3
67.70518	1.3
69.03397	6.0
69.07037	2.7
71.04957	1.5
72.89178	1.2
79.05463	2.6
81.03419	12.3
81.07071	18.0
82.99608	1.3
83.08607	1.5
84.17728	1.2
85.02926	18.2
85.06541	29.7
91.05433	2.7
96.08092	5.2
97.02855	7.3
97.06502	1.5
99.04408	1.6
103.07529	7.7
106.02929	2.2
106.03683	1.6
106.06555	26.4
108.08116	37.3
109.02887	13.4
109.06462	8.4
112.07463	1.6
113.05893	1.6
115.07533	2.4
123.06747	2.7
124.03901	5.6
124.06857	1.3
124.07580	20.6
127.03888	13.8
127.07506	5.6
134.06003	19.4
134.09607	8.2
136.07585	19.4
145.04929	2.9
152.07059	90.2
160.07472	2.5
164.07045	2.5
170.08116	22.9
229.10721	2.2
246.13446	1.3
247.11757	23.4
259.14301	6.4
277.15378	3.0
278.13730	1.6
296.15759	2.8
422.17847	1.9
440.19180	13.4
458.14554	31.9
458.20029	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	458.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15260	0.8
57.03444	7.5
57.07075	5.5
59.05001	1.9
65.22316	0.8
67.05500	3.8
69.03416	2.1
71.04980	1.7
72.10649	1.2
81.03413	4.2
84.58890	0.9
85.02895	8.6
85.06533	16.8
87.04471	1.9
95.04964	11.8
95.63477	1.1
97.02859	1.4
103.07577	100.0
106.02898	7.1
109.02862	4.3
113.05990	31.0
122.31008	1.0
124.03924	10.7
127.03943	1.6
129.09131	1.2
129.10179	1.7
131.07072	2.3
149.08092	6.2
159.06482	1.4
161.88048	0.9
164.40022	1.0
171.10175	7.4
217.10696	51.6
243.12289	6.1
247.11719	2.1
261.13300	90.3
268.08084	1.6
393.70798	0.9
429.51801	1.0
458.12320	2.0
458.24857	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	458.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80728	0.7
54.02149	0.5
54.13345	0.5
61.02933	0.8
69.03420	5.5
71.25280	0.5
81.03419	0.7
83.04972	2.2
85.02898	1.1
90.66788	0.5
91.05468	2.4
92.13019	0.6
107.08591	12.0
110.03190	0.5
111.04427	2.2
119.08572	100.0
120.08930	0.8
129.05431	1.0
133.06421	1.8
135.08046	30.8
147.06476	0.7
184.40083	0.6
193.86461	0.5
195.83701	0.6
202.19368	0.6
281.13812	3.2
415.21161	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	458.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45227	0.9
66.23118	0.8
72.28425	0.8
75.49968	0.9
79.05492	5.4
80.83239	1.0
95.08585	4.9
105.07071	1.0
107.04951	100.0
127.23099	0.9
130.07277	1.0
133.10150	1.0
134.09637	10.6
140.10126	0.8
143.08534	1.3
149.05957	15.5
159.31375	1.0
172.76308	1.0
183.11685	1.5
192.10205	9.0
194.11758	71.8
195.11642	1.5
197.13223	1.2
209.13272	1.3
223.14624	1.7
224.15433	1.1
229.79150	0.9
235.14627	1.2
250.16808	1.1
265.19586	2.0
277.03253	0.8
278.16180	2.2
457.65414	1.1
458.30475	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66114	1.1
57.61510	1.0
62.67438	0.9
64.68751	0.9
66.53443	1.1
79.05480	6.9
93.07120	1.1
95.08583	2.2
107.04953	100.0
134.09653	14.9
149.05966	19.9
157.10173	1.2
181.10175	1.2
183.11662	1.5
192.10165	10.2
194.11765	79.9
195.47971	1.4
197.13284	1.9
296.17084	1.4
435.01382	1.1
458.23831	2.1
458.30496	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	459.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49614	0.7
69.03427	1.4
73.51417	0.8
81.04544	9.2
85.02907	1.7
86.09731	1.0
87.04423	0.8
97.02843	1.0
122.07144	100.0
123.07923	45.8
127.03884	1.3
133.84326	0.7
173.48595	0.8
237.08006	12.4
249.02602	0.7
261.07846	0.9
279.09164	1.5
297.10165	24.2
441.14676	1.2
459.15460	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39114	1.1
71.06107	4.7
72.04504	1.4
76.02214	5.6
77.00626	21.6
90.05541	17.4
94.03262	24.2
95.04945	1.2
118.03230	4.6
123.04425	18.1
130.03217	2.0
135.38400	1.1
136.04272	2.5
147.05875	32.5
148.04277	13.1
165.05643	3.8
165.06921	100.0
175.05414	2.4
184.09695	1.9
202.10576	1.3
259.11227	4.4
277.12140	52.4
295.13223	9.1
419.12195	1.4
431.26355	1.3
466.81863	1.3
483.02249	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	459.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
57.07069	3.0
57.08371	0.6
59.04979	0.9
60.70896	0.8
62.36765	0.6
63.01200	0.6
67.05519	0.7
69.03414	2.8
69.32329	0.6
71.04976	0.8
77.49793	0.7
81.03426	1.3
82.85930	0.6
83.04972	2.7
85.02908	5.5
85.06542	16.2
97.02882	16.4
99.04438	1.1
103.07581	100.0
109.02873	4.0
111.04441	1.7
113.05991	2.8
123.04381	1.1
124.03906	3.1
125.04319	1.0
127.03905	6.2
132.04448	15.9
141.05461	0.8
145.04926	9.6
149.08104	8.8
156.06357	0.6
211.09662	3.0
212.23416	0.7
229.10562	1.4
244.72588	0.8
257.10220	2.7
275.11227	12.2
293.12296	6.1
442.17026	1.1
443.07407	0.9
459.20053	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	459.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39565	1.0
73.02942	3.6
79.48266	1.1
82.00938	1.2
92.71003	1.1
93.07030	1.7
95.04938	4.3
95.08613	2.4
107.08553	1.9
107.18979	1.3
117.07014	1.6
119.04887	1.4
119.08582	1.4
121.06531	1.8
121.10129	1.4
122.03548	1.9
131.04929	2.6
131.08563	2.6
135.08037	1.9
137.05966	100.0
145.10133	1.7
147.04501	1.7
151.03935	1.9
151.07527	18.1
157.06433	1.8
159.07973	1.9
161.05887	8.3
163.07503	9.1
173.09576	2.5
175.07532	24.8
177.05443	6.7
177.09102	5.6
179.07085	1.7
179.14359	1.5
183.08044	2.3
187.07465	2.8
187.11256	1.9
189.09068	7.9
191.07011	5.6
191.10811	1.9
195.10156	14.6
201.09138	5.1
203.06966	2.9
203.10706	1.4
205.08569	1.5
211.07607	1.4
213.09120	2.9
215.07031	1.9
215.10667	2.0
217.08585	6.8
219.10159	8.2
233.11682	2.3
235.09575	1.9
237.09064	1.5
241.08594	1.3
243.10120	2.2
261.11206	7.0
265.08630	1.5
277.08450	2.5
284.86481	1.2
291.10129	1.7
297.11194	2.6
299.12790	1.4
301.17996	5.1
305.11591	4.8
309.11157	2.8
311.12683	2.7
311.20169	1.7
321.11169	2.8
323.12683	2.4
325.14624	1.4
329.21088	1.6
337.14441	1.6
343.15329	1.6
349.14255	1.6
355.15488	8.9
357.20682	1.6
365.13672	1.7
367.15414	10.6
381.16974	1.8
385.16449	4.8
397.16608	1.3
423.17935	6.4
441.19193	2.8
441.29761	4.0
459.20160	11.5
459.30927	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	8.8
57.07072	2.8
59.05000	5.7
60.01897	1.2
60.03591	1.1
67.05496	2.9
69.03426	9.3
71.04981	4.4
72.08134	1.2
75.04469	6.1
81.03435	2.2
83.04987	8.5
85.02911	9.1
85.03603	1.0
85.06548	14.2
87.04448	2.7
89.06035	1.5
95.04962	8.8
97.02908	8.1
99.04438	2.6
103.07574	100.0
109.02876	2.7
111.04442	1.5
113.05990	15.0
120.08112	2.3
127.03886	5.9
131.07034	22.7
145.04968	2.1
147.04475	1.6
147.05521	1.4
149.08101	21.8
166.08580	4.4
167.09093	15.8
193.38493	1.1
200.57733	1.2
217.29204	1.2
311.13364	2.3
379.16049	2.0
437.80142	1.3
441.19427	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	459.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38137	0.7
53.20356	0.7
57.03449	7.5
69.03432	8.9
70.06582	1.3
70.44416	0.8
71.04997	3.2
71.08627	1.6
73.02892	1.1
74.77024	0.8
75.65938	0.7
75.83214	0.8
81.03415	1.4
81.07050	1.6
83.04980	1.8
85.02895	5.2
86.06062	0.8
87.04471	1.1
97.02883	5.3
99.04468	6.7
99.08085	18.2
109.02883	3.9
111.04440	1.1
117.05492	4.6
117.09126	100.0
117.50140	0.8
127.03924	4.2
127.07522	3.7
135.06508	1.4
139.03860	1.3
142.34912	0.8
145.04953	2.0
151.03954	1.1
153.07623	7.2
163.09637	10.5
165.06572	1.1
180.08830	1.8
257.51935	0.9
261.78619	1.0
279.13568	1.9
289.12485	1.0
297.14725	1.1
307.13867	1.2
405.96127	1.1
441.19742	1.1
459.09897	1.3
459.20343	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	459.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26395	4.6
51.02356	4.5
55.05515	4.9
57.07081	5.9
58.28396	3.8
59.04999	6.5
67.05509	5.4
69.07064	6.2
71.15135	4.1
74.49218	4.5
79.05465	6.0
81.07042	8.1
91.05479	9.8
93.07050	9.8
95.04963	8.3
95.08636	12.0
105.07046	39.2
107.08585	27.9
109.10141	8.3
119.08609	35.8
121.10136	10.6
123.08053	4.9
129.07034	7.5
131.08578	21.9
133.10118	26.5
135.08025	24.1
135.11674	5.5
143.08589	32.3
145.10107	11.5
147.08040	6.8
149.09680	9.7
155.08569	20.3
156.09276	5.3
157.10033	17.1
161.09586	18.5
163.11160	5.4
167.08543	6.8
169.10130	23.7
171.08067	8.1
171.11594	4.9
173.09576	10.1
179.08592	11.6
181.10136	24.9
183.11749	8.3
185.09506	9.2
187.11183	7.2
193.10136	7.1
195.11676	42.8
197.09724	8.8
197.13225	8.1
205.10168	7.1
206.10907	43.7
207.11765	10.6
209.13243	22.3
211.11128	6.8
211.14778	22.5
217.09975	5.8
219.11694	19.3
220.12500	6.5
221.13223	60.1
222.10419	5.8
223.11192	12.0
224.12114	7.2
231.11719	10.5
235.14793	6.7
236.11902	6.4
237.12730	21.6
239.14322	74.7
246.14066	24.6
250.36214	4.8
251.17964	27.5
253.15518	6.9
261.16473	41.9
264.14984	5.2
269.18939	11.3
279.17371	100.0
281.15341	9.2
297.18478	78.4
339.19803	17.4
357.20569	7.2
381.91910	4.5
427.08655	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	459.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72710	5.8
63.90757	5.8
67.05508	8.0
69.07060	30.1
69.56922	6.0
74.81206	7.3
79.23581	6.1
81.02767	6.4
81.03382	7.5
81.07058	14.3
84.17059	6.4
92.17849	8.5
93.07018	11.2
95.08607	33.5
97.06535	14.5
102.56295	7.7
105.07046	31.2
107.08614	14.7
109.10114	10.8
112.92272	6.2
119.08546	50.3
121.10155	11.9
123.08050	8.2
129.07043	12.7
131.08495	22.0
133.10120	31.6
135.08086	11.8
143.08560	33.6
145.10130	29.5
147.08080	9.5
149.09607	14.8
150.92502	7.2
151.07558	8.4
155.08638	10.8
157.10146	31.3
159.08119	8.3
159.11760	11.6
161.09657	12.5
161.17825	7.9
163.11215	6.2
167.08565	8.5
169.10133	25.1
171.08075	8.7
171.11668	15.5
173.09583	12.0
173.13307	8.6
181.10138	23.9
183.11703	9.1
185.09744	10.0
187.11171	9.1
193.10208	10.9
195.11719	43.2
197.13255	12.3
199.11189	15.8
209.13258	15.3
211.14848	12.8
213.12750	11.9
222.10376	9.0
227.14285	9.3
237.16423	15.7
251.18013	29.9
253.15974	13.4
269.19171	10.5
279.17505	54.2
297.18390	100.0
357.20645	12.2
417.22906	7.6
441.33978	8.0
459.29373	15.4
467.68073	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	459.2737
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
52.33025	1.7
55.01870	2.4
55.05511	21.2
57.03413	1.8
60.46632	1.3
64.46755	1.4
67.05497	25.7
69.03424	2.2
69.07055	10.2
79.05493	18.9
81.07053	21.0
82.57326	1.4
83.04977	1.6
83.08621	20.3
91.05470	12.6
93.07035	13.9
95.08585	8.0
97.10167	35.8
103.05463	14.3
105.03400	2.2
105.07034	17.1
107.04964	2.5
107.08591	17.0
109.10172	6.3
111.08074	2.1
115.05435	3.2
117.07007	32.3
117.08189	1.6
119.08554	13.4
121.10193	2.8
123.08089	1.6
125.09623	32.4
129.07004	14.8
131.08560	25.9
133.06493	3.4
133.10123	3.3
135.08046	7.7
141.07002	3.6
143.08578	8.9
145.06546	7.1
145.10112	8.2
149.09578	1.9
153.09039	2.1
155.08549	10.1
157.06500	2.5
157.10161	2.3
159.07979	2.7
159.11667	2.6
169.10123	9.5
171.08038	2.7
171.10085	6.4
171.11650	2.3
181.10143	2.3
185.09618	2.3
185.13206	3.5
187.14832	7.0
189.11205	10.8
195.11722	2.3
197.13258	8.6
205.09892	2.0
213.12903	1.9
215.14301	42.5
227.12729	15.0
241.12361	2.7
339.23135	2.5
349.21722	3.9
367.22690	14.3
385.23706	9.8
441.26276	47.8
459.27426	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	459.2742
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
54.35838	1.1
55.01863	1.3
55.05517	14.5
67.05506	18.5
69.03419	1.2
69.07052	4.6
69.09077	1.0
74.84617	1.2
79.05486	13.7
81.07076	9.4
83.08640	10.9
91.05479	7.7
93.07025	6.2
95.08602	6.3
97.06509	1.9
97.10174	23.5
103.05460	4.9
105.06996	9.8
107.08592	8.9
108.11996	1.2
109.06496	1.4
109.10143	5.6
117.07026	13.0
119.08559	6.0
121.10087	1.8
125.09625	18.0
129.06978	5.6
131.08583	10.4
133.06390	1.8
135.08066	5.9
141.06985	4.9
143.08553	2.8
145.06488	8.1
145.10127	4.9
147.11584	1.3
153.09068	2.6
155.08572	5.2
157.10214	1.1
157.51862	1.3
159.08066	1.9
161.05954	1.5
169.10078	1.7
171.07907	1.4
171.10258	1.3
171.11633	1.9
183.11728	1.5
185.09567	1.7
187.14803	2.6
189.11176	2.0
192.40918	1.1
197.13223	5.6
205.15800	1.2
215.14360	14.5
227.12611	3.7
233.15294	1.9
249.16595	1.2
273.14789	2.1
278.24805	1.4
339.23422	1.6
349.21725	2.1
359.62787	1.3
367.22693	6.6
385.23648	8.1
403.24728	6.2
441.26382	17.9
459.27362	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	459.2741
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
55.05505	15.1
64.38911	3.1
67.05489	14.0
79.05477	16.0
81.07051	14.9
83.08614	13.9
91.05457	17.1
93.07068	10.1
95.08587	13.7
97.10151	27.3
103.05453	7.5
105.07021	6.9
107.08582	13.2
109.10168	5.8
115.05441	3.5
117.07001	31.6
119.08578	13.7
125.09581	24.4
129.06978	12.3
131.08548	18.1
133.10190	3.0
135.08043	3.9
137.98709	3.4
141.06964	3.6
143.08578	3.6
145.06471	3.7
145.10089	10.9
155.08562	5.2
171.11755	3.5
187.14810	5.9
189.11139	5.8
197.13286	4.6
215.14366	27.9
227.12776	5.8
246.85014	3.3
385.23889	4.0
441.26404	39.1
459.27133	100.0
461.13046	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.2
56.60862	2.1
65.91864	2.2
67.05499	9.6
69.07055	4.6
73.81883	2.2
79.05495	9.2
81.07059	41.4
82.56172	2.2
83.04967	3.6
83.08602	2.7
84.19038	2.4
91.05474	6.0
93.07044	16.6
95.08610	13.2
99.78947	2.9
101.06023	4.1
105.07014	26.4
107.08593	27.2
109.06541	23.2
109.10149	11.3
110.21590	2.0
111.08018	2.2
117.07015	4.8
119.08570	27.2
121.06505	2.4
121.10120	13.8
121.33951	2.3
125.09627	10.6
129.06978	2.6
131.08582	22.1
133.06522	4.2
133.10135	19.6
135.08076	4.2
135.11719	4.3
136.11104	2.2
137.09590	3.3
141.06985	3.4
142.07776	2.8
143.08519	20.3
145.10115	43.6
147.08084	4.3
147.11711	11.9
149.09604	4.8
149.13150	3.2
155.08531	18.0
157.10081	26.1
159.08070	4.0
159.11681	31.7
161.09610	22.8
161.13249	2.8
167.08577	3.2
168.09358	3.0
169.10094	20.1
171.11664	14.2
173.09607	9.9
173.13290	10.9
175.11118	4.9
181.10155	19.1
182.11052	3.1
183.11684	31.0
185.09613	11.0
185.13206	5.4
187.14789	3.5
191.08607	2.4
192.09241	3.0
193.10132	13.6
195.11603	17.6
197.09590	10.8
197.13240	24.1
198.27965	2.6
199.11118	4.4
206.10789	6.7
207.11707	13.7
208.12503	4.3
209.13242	13.4
211.11111	9.7
211.14842	17.0
213.12648	3.5
219.11583	10.7
221.13240	24.4
222.14029	3.7
223.14818	12.9
225.12737	5.7
233.13229	13.3
235.14763	4.3
237.12665	2.5
237.16403	3.4
239.14259	17.8
244.04399	2.7
248.15628	10.7
251.17897	3.4
253.19514	18.3
263.17902	31.9
271.20657	3.0
279.17422	9.5
281.18967	100.0
297.18558	5.6
299.20135	23.8
350.25705	2.7
436.16986	2.9
459.27411	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35980	2.5
55.05515	4.1
56.54745	2.8
65.76033	2.5
67.05512	9.7
69.07049	3.3
72.48515	2.5
76.82158	2.4
79.05470	3.5
81.03417	4.7
81.07037	10.9
83.08609	3.5
91.05466	14.3
92.18436	3.2
93.07041	32.9
95.04956	5.7
95.08618	25.0
105.07019	26.5
106.07014	2.4
107.08607	19.0
109.10162	8.4
117.07011	4.1
119.08581	30.7
121.10099	18.8
121.84792	2.6
129.06975	3.9
131.08572	22.4
133.06508	3.3
133.10117	25.2
135.08054	15.4
135.11732	4.1
143.08537	17.1
145.10112	38.7
147.11697	5.0
155.08563	6.3
157.10110	18.3
159.08006	11.9
159.11646	15.9
161.09599	18.7
163.11264	4.3
165.06996	3.5
167.08539	9.5
168.09348	2.5
169.10077	18.4
170.10925	3.0
171.11681	22.6
179.08577	5.9
180.09361	4.5
181.10100	33.8
183.11662	14.7
185.13274	11.4
189.12767	3.1
193.10185	5.1
194.10883	13.7
195.11607	23.4
197.13264	4.3
197.38522	2.7
208.12465	13.1
209.13228	30.3
221.13071	4.7
223.11319	4.1
223.14819	41.1
235.14865	5.0
237.12706	4.0
237.16396	12.0
250.17226	4.9
251.17949	4.1
263.45865	2.6
265.19522	100.0
279.17429	17.7
283.20508	20.8
297.10925	3.1
297.18478	6.3
325.21594	47.1
369.11865	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.1
67.05493	5.1
69.07049	5.2
79.05462	6.5
81.07050	42.6
83.04971	5.6
91.05468	14.5
93.07043	23.1
95.08598	14.8
105.07033	23.5
107.08598	25.1
109.06499	16.3
109.10149	13.9
117.06989	5.3
119.08584	22.0
121.10133	15.2
125.09644	6.0
131.08572	22.7
133.10115	22.5
135.08025	4.5
135.11658	3.2
143.08568	14.6
145.10149	34.2
147.11653	10.6
155.08519	20.0
157.10083	20.3
159.07979	2.9
159.11697	31.1
161.09578	22.2
165.06961	4.0
167.08473	3.7
169.10133	23.0
171.11674	12.4
173.09558	3.5
173.13237	10.6
175.11157	4.9
181.10118	15.6
182.10965	4.1
183.11688	19.2
185.09685	3.9
185.13228	5.1
192.09328	3.0
193.10132	12.6
195.11690	13.4
196.12474	2.9
197.13239	22.6
199.11151	3.2
201.12697	4.7
206.10921	5.5
207.11693	16.1
208.12497	3.1
209.13309	12.3
211.11299	5.1
211.14864	19.4
213.16284	3.0
219.11713	4.1
220.12480	3.2
221.13263	22.7
222.14018	3.2
223.14792	5.1
225.12730	6.4
233.13283	11.9
239.14308	16.4
248.15732	11.2
251.17955	2.8
253.19524	10.0
263.17938	29.5
271.20355	3.1
279.17593	3.1
281.18979	100.0
289.61411	2.6
297.18677	2.8
299.20038	22.7
369.94217	2.7
422.73764	3.0
459.27246	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16191	3.7
67.05503	16.8
69.07058	8.0
77.81328	4.7
79.05486	8.0
81.07059	28.5
83.04980	18.1
86.65417	4.1
87.31269	4.1
91.05489	9.7
93.07049	40.1
95.04948	7.2
95.08607	24.7
96.83880	3.9
104.74113	4.0
105.07012	36.5
106.14157	4.1
107.04885	4.4
107.08593	100.0
109.06554	8.3
109.10156	68.9
117.06973	4.6
119.08598	70.0
121.06497	17.5
121.10140	18.7
129.06989	5.5
131.08533	9.7
133.06519	8.2
133.10138	19.5
135.08040	76.7
135.11722	6.8
137.09621	19.2
143.08540	20.1
145.10126	60.3
147.11681	6.8
149.09612	9.1
150.22209	4.1
155.08543	4.9
157.10104	24.4
159.08125	4.7
159.11688	17.4
161.09561	7.5
163.11197	88.1
165.06998	4.3
169.10159	21.9
171.11679	15.6
173.09738	6.7
175.11224	8.5
181.10100	29.3
183.11687	19.8
185.13243	5.8
193.10109	6.7
195.11674	21.1
197.13191	8.0
207.11713	8.5
209.13345	8.8
217.12398	5.7
221.13319	7.8
225.16443	6.9
235.14902	5.3
251.17941	7.9
253.19482	7.7
261.16452	8.8
263.17978	6.8
269.19177	6.4
279.17487	52.4
281.19046	44.9
297.18573	8.3
299.20059	43.9
315.19604	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12451	2.4
55.01849	3.1
55.05518	22.1
55.08506	2.4
57.03437	2.7
67.05221	2.8
67.05509	47.9
69.07056	9.8
69.83006	2.2
72.45733	2.8
76.12753	2.9
79.05495	60.7
81.03426	18.9
81.07062	37.1
83.04975	14.1
83.08611	16.2
83.18774	2.4
91.05476	89.5
93.07046	41.5
95.04961	14.6
95.08595	13.1
97.06528	2.7
97.10163	29.4
105.03374	3.9
105.04533	3.1
105.07024	39.2
107.04964	4.4
107.08607	20.8
107.09188	2.4
109.06534	3.6
109.10136	4.6
111.08053	2.3
114.78320	2.3
117.07007	17.4
119.08601	21.6
121.10123	4.4
125.09633	13.5
129.07001	8.6
131.08565	6.1
133.10114	45.2
135.08060	3.1
141.62212	2.3
143.08554	10.7
145.06528	4.6
145.10088	4.0
147.11674	17.3
149.09575	3.6
156.83675	2.9
157.10162	4.3
161.09578	9.6
161.13263	4.8
171.11647	9.9
179.10728	3.6
184.36057	2.8
195.11807	3.0
195.13806	2.5
197.13338	5.0
207.13895	12.4
209.13420	2.6
215.14365	24.6
227.12938	2.8
251.69011	2.5
281.17484	19.0
284.51846	2.4
298.91516	2.4
300.43658	2.6
322.54984	2.5
367.22665	9.7
385.23804	8.7
403.24869	3.8
408.07187	2.4
441.26404	12.7
459.27448	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.4
56.05842	2.4
57.03439	2.2
57.85381	2.4
63.95310	2.1
65.30144	2.6
67.05505	9.4
69.07063	3.0
73.06557	2.7
79.05507	2.7
79.75975	2.8
81.07063	30.0
83.04951	3.0
91.05479	13.5
93.07050	17.2
95.08589	13.2
97.06520	3.3
101.06066	3.0
103.02996	2.5
105.07014	27.2
107.08588	22.1
109.06516	18.3
109.10147	9.9
117.07013	4.8
119.08555	24.6
121.10117	9.7
124.62930	3.0
125.09618	10.3
129.06982	5.5
131.08571	23.1
133.06490	4.4
133.10088	28.0
135.08092	5.8
135.11685	3.1
143.08519	24.4
145.10109	34.0
147.08038	10.0
147.11729	5.2
149.13275	2.8
155.08524	19.1
157.10086	25.1
159.11667	38.4
161.09555	19.3
161.13225	3.9
167.08508	3.3
169.10095	27.1
171.11673	15.9
173.09613	5.1
173.13264	10.1
175.11223	11.0
179.08571	6.0
180.09300	3.2
181.10115	17.8
183.08093	2.6
183.11694	26.3
185.09637	5.0
185.13220	11.7
187.11182	3.6
193.10083	10.5
195.11707	12.1
196.12556	3.1
197.09528	4.3
197.13303	19.5
199.11226	3.9
199.14841	3.3
206.10945	9.3
207.11678	18.0
209.13255	15.5
211.11195	4.1
211.14792	21.3
213.12683	3.3
219.11852	3.5
221.13243	23.2
223.14871	14.0
225.12724	5.8
227.14316	13.8
233.13290	12.6
234.13922	3.0
235.14784	5.6
237.16383	5.8
239.14253	16.5
239.17941	2.9
241.15796	5.2
248.15512	3.7
251.17879	3.9
253.19536	16.0
263.17886	35.3
269.15332	3.2
269.18951	5.4
271.20615	3.8
279.17471	14.1
281.18967	100.0
297.18484	21.2
299.19824	21.5
386.74066	2.3
401.05515	2.7
459.27798	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47346	3.0
50.99658	3.2
51.53167	2.9
67.05490	6.9
69.03433	5.6
69.07062	5.9
79.05499	4.1
81.03430	48.1
81.07058	20.3
91.05456	6.1
93.07039	55.7
95.04986	27.7
95.08604	16.7
105.07032	18.7
107.08617	43.0
109.10146	21.2
117.07029	6.1
119.08578	28.3
121.10134	18.4
123.11674	3.8
131.08557	6.2
133.06490	7.8
133.10124	40.5
133.10982	5.1
135.08047	90.0
137.09593	7.0
143.08612	5.0
145.06433	12.3
145.10126	24.0
147.07954	4.2
147.11679	7.7
157.10130	8.3
159.11731	6.5
161.09621	100.0
163.11191	6.5
171.11722	5.4
173.13307	4.0
239.14247	4.0
241.15909	4.8
283.20538	43.8
297.82629	3.8
343.22675	15.0
453.68222	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	459.3105
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
54.87179	0.9
54.95568	0.8
56.55354	1.0
67.05510	9.6
69.07040	2.2
73.02914	2.0
75.34315	1.0
79.05484	1.6
81.07063	4.1
83.05004	1.0
83.08599	1.9
85.10167	1.5
91.05460	1.5
93.07043	5.9
95.08609	88.0
103.79690	1.1
105.07025	5.5
107.08607	12.2
109.10166	7.2
111.08121	1.0
113.09641	49.5
119.08571	6.2
121.06527	1.8
121.10136	16.0
123.08130	1.5
123.11720	3.9
131.08556	1.7
133.10081	3.8
135.08076	2.4
138.37877	1.0
139.11154	1.1
141.12589	1.2
143.08501	1.3
145.06471	1.5
145.10107	4.7
147.08029	4.6
147.11710	2.2
149.09619	13.1
157.10100	2.0
159.08014	1.7
159.11653	2.5
161.09576	2.0
161.13286	2.0
165.24156	1.2
171.08015	1.5
171.11659	1.9
173.09668	8.0
173.13220	1.9
177.09117	1.1
183.11694	1.6
187.11078	1.9
189.09120	11.1
191.10727	10.8
195.11725	1.2
199.11238	1.1
199.14781	1.4
201.12872	1.2
205.12204	2.5
207.11774	1.8
209.11636	1.6
209.13342	1.7
213.16347	1.2
223.13228	4.0
225.12650	1.1
239.17932	1.1
241.15865	1.3
243.17546	1.3
246.13976	1.1
253.15942	1.6
279.17569	4.3
280.74753	1.0
281.18976	5.1
297.18430	2.3
299.19958	9.1
301.17947	6.5
302.18790	14.0
311.20178	1.4
317.21143	20.8
327.15991	1.7
331.75143	1.0
347.22409	1.3
357.20667	1.8
423.29184	1.4
441.29959	8.0
459.24393	4.3
459.31012	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	459.3104
Annotation	candelalide C
Peak:m/z	Relative Intensity
53.49821	0.9
54.47028	1.1
55.05520	1.8
58.05750	1.1
58.37236	1.0
59.61338	1.1
67.05486	2.1
69.07070	2.1
81.07038	2.3
83.08616	7.7
84.02293	1.1
85.06537	1.5
88.37633	1.1
92.17869	1.2
93.07019	4.1
95.04964	10.9
95.08604	18.2
97.06546	1.4
105.07057	2.0
107.08619	1.7
111.08076	10.8
113.09623	11.5
119.08595	1.9
121.06451	1.4
121.10114	2.0
123.08058	7.5
123.11712	1.6
131.08546	2.5
133.10097	2.3
135.08076	1.3
135.11665	1.2
137.05904	1.5
141.12733	2.4
141.54430	1.1
143.08621	1.9
145.10121	8.1
159.08040	1.9
159.11658	2.5
163.11182	1.6
163.60350	1.2
173.09601	9.4
173.11002	1.3
173.13271	13.6
175.11163	1.8
179.14281	10.2
189.09129	2.6
191.10698	2.3
197.13167	1.8
199.11163	1.4
201.12747	6.0
213.12744	4.7
215.14322	4.6
219.13788	5.0
223.11252	1.3
225.12787	1.6
229.12097	1.4
231.13690	2.4
233.15343	1.4
237.12704	1.5
255.17586	4.9
265.15863	2.7
283.17014	6.9
293.18869	1.7
299.16458	1.7
301.17981	24.8
302.18784	1.6
309.07602	2.8
311.20050	10.4
329.20975	14.4
331.22760	1.6
339.08661	1.8
347.22171	4.9
349.10977	1.5
357.20694	7.3
363.08823	1.6
371.22147	19.5
423.28879	2.0
441.29977	31.2
459.31036	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	459.3467
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.23376	0.9
55.05513	2.8
57.06829	1.3
57.07082	30.9
67.05515	16.7
69.07064	5.2
70.38792	1.1
71.05018	1.8
79.05486	2.6
81.07057	13.9
83.04964	1.7
83.08604	8.9
83.71427	1.1
85.10169	2.5
91.05447	1.8
93.07051	9.7
95.04983	1.9
95.08609	17.6
97.10146	1.2
105.07027	7.4
107.04930	1.3
107.08601	13.5
109.06496	5.3
109.10154	100.0
111.08057	2.1
113.09659	1.8
117.07014	1.6
119.08550	6.1
121.06544	1.8
121.10136	6.6
123.08049	1.9
123.11700	2.8
127.11185	11.3
131.08542	7.5
133.10106	9.6
134.79494	1.1
135.08047	14.2
135.11729	2.8
137.09627	4.9
137.13272	2.4
143.08571	6.3
145.10100	7.8
147.11673	4.8
149.13306	1.3
155.08618	4.8
157.10168	5.6
159.11629	4.7
161.09618	6.4
161.13187	2.0
163.11168	7.6
167.08510	1.2
169.10114	2.5
171.08005	4.0
171.10353	1.3
171.11696	4.1
173.09637	6.2
175.11241	1.9
175.14803	1.7
179.14307	1.5
181.10106	2.2
183.11664	2.7
185.13300	2.4
187.14714	1.5
189.09131	1.8
193.10277	1.7
195.11713	7.9
197.13206	2.6
199.11116	2.4
201.12801	4.1
207.17528	1.4
209.13307	5.8
211.14816	1.6
213.12680	2.5
215.14259	2.0
219.11566	1.7
221.13313	1.6
223.11095	1.5
223.14818	2.0
225.12714	5.6
227.14319	1.5
231.11604	1.8
235.14845	1.3
237.12796	1.4
239.14290	1.7
239.18100	2.7
246.14188	1.7
251.17740	2.2
253.15825	2.3
261.16315	4.5
265.15829	1.8
267.17462	1.9
269.19153	1.5
277.44550	1.4
279.17566	10.4
279.20349	1.5
281.19302	1.4
283.16925	2.1
285.18445	4.2
297.18558	7.5
297.22098	4.8
299.16440	11.3
299.19635	3.0
301.18066	5.7
303.19583	1.5
311.20041	1.5
315.19583	1.9
315.23111	14.0
339.19522	2.7
343.22818	1.3
441.34229	13.0
442.56091	1.3
459.23260	7.2
459.35251	56.9
484.22873	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	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36694	0.9
59.05005	19.0
65.31615	1.0
67.05482	1.0
69.03409	1.3
79.05458	1.5
81.03405	1.4
83.08604	1.5
85.02873	2.6
96.08096	4.4
101.06024	10.9
106.06548	34.1
108.08115	65.0
109.02846	1.6
114.12017	1.2
123.06784	4.5
124.07583	19.9
129.05475	39.9
129.09135	1.5
133.41122	1.3
134.05247	1.2
134.06009	17.9
136.06808	1.0
136.07568	15.0
136.77736	1.0
149.48291	1.2
152.07060	94.5
170.08099	23.1
216.65268	1.3
234.15213	1.1
264.33679	1.1
288.77823	1.3
442.16708	2.5
460.17883	100.0
482.07422	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	460.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77424	1.0
55.05519	8.8
63.78725	1.1
74.60971	1.3
81.03415	2.4
83.08621	31.6
85.02900	1.7
92.18665	1.2
96.08178	2.3
97.02931	1.5
103.25871	1.3
106.06557	31.7
108.08128	41.1
109.02889	1.7
111.08107	2.1
112.72028	1.2
123.06808	3.0
124.07607	14.6
127.03907	1.8
129.05515	2.6
129.09125	12.0
134.06015	19.9
136.07568	15.3
152.07069	84.3
154.08627	2.1
170.08125	29.4
237.02264	8.5
239.03699	10.3
246.92220	1.4
314.12329	2.0
442.20929	2.6
460.21988	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	460.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81874	0.5
52.96334	0.5
61.02932	1.0
66.43159	0.5
69.03429	3.8
80.19447	0.6
83.04964	1.2
85.02893	1.2
91.05453	1.2
105.06988	0.6
107.08596	10.5
111.04443	2.2
117.07023	0.7
119.08578	100.0
120.08921	2.3
125.95201	0.5
129.05486	1.4
131.27409	0.6
135.08054	24.5
147.06448	0.8
195.37659	0.6
238.36816	0.6
281.13852	3.6
344.33789	0.7
388.84958	0.7
415.21155	18.0
417.21399	1.0
460.26877	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	461.1441
Annotation	Embigenin
Peak:m/z	Relative Intensity
57.76877	0.8
60.76351	0.8
70.21632	0.8
85.02908	2.3
89.24207	0.9
107.04949	100.0
114.01390	0.9
140.09714	0.9
193.04918	1.0
205.04964	20.2
217.04919	4.0
231.04491	0.9
231.06464	9.2
235.05991	29.7
245.08096	6.4
255.06694	1.0
259.06033	6.3
271.05988	4.6
283.06073	1.8
299.09100	4.3
301.07080	2.3
311.09088	81.8
323.09174	1.8
337.10834	9.6
341.10156	57.3
351.12274	10.3
351.32294	0.9
361.10840	1.2
365.10190	33.7
377.10294	9.3
379.11505	1.3
389.09943	9.5
395.11288	20.8
407.11041	11.5
425.12152	12.3
443.13443	24.4
447.50647	1.1
461.14310	24.2
461.24857	1.5
461.31366	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	461.1442
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
68.72337	0.6
79.81158	0.6
80.18982	0.6
81.07045	0.8
85.02906	0.8
85.06522	0.8
92.18451	1.3
107.04958	100.0
111.56593	0.8
150.61899	0.6
156.31149	0.6
205.04951	15.5
206.05748	0.9
217.04976	3.9
233.04401	0.8
235.06021	32.2
243.02895	3.1
245.08110	4.0
247.06062	1.3
259.06030	9.5
261.03839	1.4
271.05991	0.9
273.07599	4.1
289.07224	1.0
301.07059	3.9
311.09143	19.8
319.08237	3.4
323.09125	3.4
325.10855	0.9
341.10217	22.7
351.12317	1.5
353.10031	1.0
365.10007	7.7
371.11163	0.8
379.11581	2.3
383.10800	0.8
395.11328	4.0
407.11053	1.0
425.12244	7.2
443.13306	10.4
461.14407	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37085	1.0
55.01879	4.3
57.03442	13.5
61.02941	7.6
63.45156	1.1
69.03431	15.4
71.04958	1.1
72.04539	1.2
73.02917	60.4
76.87418	1.1
81.03429	1.5
85.02905	32.7
86.09694	1.8
87.04454	4.5
97.02895	29.6
100.16734	1.1
101.06071	1.1
109.02888	2.0
115.03931	24.9
123.04442	11.4
127.03915	11.6
132.04446	100.0
133.04956	13.3
145.04950	12.3
150.05525	2.0
150.07635	5.8
163.06042	2.7
228.98073	1.1
231.76840	1.1
236.54927	1.1
237.39342	1.3
241.07056	4.1
259.08078	4.4
264.08722	5.4
277.09467	1.7
282.09738	6.9
295.10239	15.7
329.13428	1.7
375.08353	1.1
444.14926	7.5
461.16257	42.4
470.24915	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	461.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37085	1.0
55.01879	4.3
57.03442	13.5
61.02941	7.6
63.45156	1.1
69.03431	15.4
71.04958	1.1
72.04539	1.2
73.02917	60.4
76.87418	1.1
81.03429	1.5
85.02905	32.7
86.09694	1.8
87.04454	4.5
97.02895	29.6
100.16734	1.1
101.06071	1.1
109.02888	2.0
115.03931	24.9
123.04442	11.4
127.03915	11.6
132.04446	100.0
133.04956	13.3
145.04950	12.3
150.05525	2.0
150.07635	5.8
163.06042	2.7
228.98073	1.1
231.76840	1.1
236.54927	1.1
237.39342	1.3
241.07056	4.1
259.08078	4.4
264.08722	5.4
277.09467	1.7
282.09738	6.9
295.10239	15.7
329.13428	1.7
375.08353	1.1
444.14926	7.5
461.16257	42.4
470.24915	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	461.1783
Annotation	ABACOPTERIN C
Peak:m/z	Relative Intensity
58.64418	1.0
60.61608	1.0
83.08549	1.2
98.97572	1.9
107.08575	1.2
110.85880	1.3
121.10114	2.3
137.05980	1.7
139.11163	1.6
145.10048	1.5
151.07524	5.0
161.09605	1.3
169.12560	1.2
219.01749	2.3
227.14510	1.3
297.18802	1.4
299.09216	1.2
304.34009	1.2
405.42166	1.4
421.73126	1.5
443.31070	2.0
450.35898	1.5
461.17746	100.0
461.32117	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99266	3.7
55.05500	7.6
57.07092	8.9
58.37178	3.8
66.31422	4.0
67.05484	8.3
69.07075	10.7
79.05502	8.4
81.07056	11.1
83.08595	7.6
85.92531	3.9
88.10270	4.1
91.05461	16.3
93.07041	40.6
95.04951	5.6
95.08610	23.8
105.07013	39.6
107.04908	7.0
107.08588	22.8
109.06517	7.2
109.10178	10.2
119.08582	39.0
121.06509	5.7
121.10143	19.3
123.08040	8.1
123.11657	5.9
125.09633	4.7
129.06967	6.1
131.08577	20.1
133.10146	62.0
134.01384	4.5
135.08064	10.6
135.11668	8.1
143.08574	39.3
145.10115	22.9
147.11690	9.3
155.08586	22.3
156.09346	10.8
157.10071	46.1
159.11696	23.7
161.09589	17.5
167.08586	4.8
169.10123	29.5
170.10840	6.9
171.08092	6.3
171.11681	56.3
173.09622	9.5
173.13287	23.4
175.11151	4.9
179.08527	7.2
181.10150	18.9
183.11690	60.4
185.09689	6.6
185.13232	33.0
187.11157	7.6
192.09344	5.1
193.10153	5.0
195.11693	24.3
197.09637	4.7
197.13231	29.1
199.11305	6.0
206.10896	18.2
207.11676	41.1
208.12494	9.1
209.13300	23.3
211.11154	8.6
211.14946	7.9
219.11729	7.7
220.12381	11.1
221.13222	45.2
222.14023	9.4
223.14859	9.3
225.12756	10.8
233.13332	32.2
234.14052	9.2
235.14813	7.3
237.16313	7.6
239.14206	7.9
239.18073	7.0
248.15674	42.2
253.19501	20.5
263.17892	75.0
281.19043	100.0
299.20050	23.2
339.91800	4.8
341.21127	74.1
401.23035	4.7
430.69250	4.6
461.24829	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	461.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.1
59.29050	3.0
67.51881	3.5
69.07104	3.6
81.07046	8.3
83.08640	4.4
85.81449	3.4
87.19081	3.6
91.05471	14.7
93.07036	31.4
93.54877	3.5
95.04913	4.0
95.08588	19.8
97.10120	3.5
105.07056	31.4
107.08564	16.8
109.10186	4.8
117.07000	5.7
119.08545	34.9
120.08797	3.4
120.53512	3.7
121.10144	4.9
123.08105	6.5
128.06282	4.1
129.06982	4.7
131.08540	20.4
133.10106	17.1
137.09607	6.1
143.08589	30.6
145.10144	23.9
147.11720	5.6
149.09641	7.0
152.56436	3.6
153.06938	4.0
155.08527	20.9
157.10141	23.7
159.11673	6.3
163.11179	4.6
165.06960	12.9
166.07745	6.2
167.08568	16.2
168.09279	4.7
169.10101	23.0
171.11696	16.3
173.13286	3.6
179.08434	6.8
180.09306	6.5
180.13727	4.0
181.10106	50.3
183.11705	8.9
187.11102	4.8
193.10147	20.2
194.10869	17.1
195.11656	32.0
197.13266	16.4
199.11317	4.2
207.11664	6.1
208.12445	14.7
209.13290	5.6
211.14885	5.2
221.13412	5.9
223.14821	100.0
237.16301	4.2
241.15839	17.3
248.15599	5.8
253.19543	7.5
263.17981	16.9
281.18930	43.4
299.20129	16.7
341.21133	8.7
461.25241	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	461.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55999	6.8
69.07064	7.0
81.03429	30.6
81.07042	32.4
93.07040	49.8
95.04963	9.2
95.08627	14.1
105.07023	18.8
107.08599	35.9
109.10170	13.3
119.08584	44.2
121.10178	13.4
133.10129	50.9
135.08051	100.0
143.08592	11.3
145.10150	16.5
157.10136	12.4
159.07957	10.3
159.11729	9.2
161.09631	60.5
183.11765	10.7
195.11879	11.0
227.14230	8.6
251.71706	8.7
265.19489	19.5
283.20688	36.5
338.49585	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	461.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46856	5.2
51.91936	4.9
55.05513	8.4
55.54970	7.1
57.07064	6.5
70.46812	5.3
72.68089	5.8
79.05482	5.5
81.07039	9.3
83.08621	12.3
88.66924	6.6
91.05468	11.4
92.17860	12.3
93.07026	11.7
105.07018	12.5
107.08557	8.8
109.06552	7.9
119.08569	60.7
119.14915	6.9
123.08057	7.3
129.07011	9.6
131.08553	12.7
133.10103	28.8
135.08049	6.6
140.22092	6.8
143.08568	35.0
145.10121	41.0
155.08557	32.7
157.10155	37.4
159.11694	7.3
166.20026	6.4
169.10118	25.5
171.11658	33.3
173.09647	6.8
173.13202	9.0
183.11687	42.0
185.13283	30.5
187.14833	6.8
197.13268	9.3
199.11200	6.6
201.12747	9.8
207.11679	14.7
209.13139	10.7
221.13286	14.5
223.14803	8.5
234.13968	6.3
237.16405	10.9
239.17932	9.5
248.15573	8.9
253.19670	12.4
263.17987	38.0
281.19006	100.0
299.20197	32.0
306.83881	7.9
341.21091	36.2
401.23282	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	461.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.5
57.07076	3.5
67.05492	5.5
68.54158	3.3
69.07054	3.3
79.05482	18.2
81.07041	15.2
83.04953	4.6
91.05459	15.5
92.17799	5.8
93.07034	31.1
95.04919	4.0
95.08600	14.6
97.06515	3.1
105.07047	32.7
107.04958	6.4
107.08590	33.6
109.06520	12.9
109.10155	22.8
111.08035	7.2
117.06991	5.7
119.08586	44.9
121.10130	20.6
123.08082	7.9
123.11733	5.4
128.06192	5.1
131.08543	17.7
133.10117	78.0
135.08032	32.4
135.11697	6.9
141.06949	6.1
143.08549	30.6
145.10129	23.7
147.08035	4.2
147.11649	14.3
148.56642	3.5
155.08557	21.0
156.09300	15.1
157.10118	46.4
159.08075	8.1
159.11662	29.7
161.09589	16.8
163.11232	5.8
169.10126	32.6
171.11644	61.2
173.09631	13.6
173.13228	17.7
175.11195	5.7
179.08531	8.2
181.10114	23.4
183.11742	36.6
185.09564	5.2
185.13235	29.4
187.11108	5.6
192.09337	5.7
193.10139	18.4
194.10867	5.1
195.11722	25.9
196.12485	3.8
197.13231	29.5
199.11076	4.8
199.14810	5.3
206.10895	22.2
207.11725	35.8
208.12466	20.2
209.13231	28.4
211.11194	4.9
211.14867	14.3
219.11772	6.1
220.12450	16.1
221.13239	47.8
222.14024	5.9
223.14810	15.1
225.12758	13.7
233.13315	25.3
234.14027	20.9
235.14786	8.1
237.16327	17.1
239.14218	3.7
239.17949	5.4
248.15573	38.4
253.19537	19.5
263.17923	100.0
281.18970	97.0
299.20004	20.8
309.72763	3.9
323.19925	3.5
324.46561	3.8
341.21072	87.9
359.22128	4.7
401.23117	4.9
461.25320	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	461.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51281	5.7
56.21266	7.1
67.05499	14.3
69.84576	6.6
79.05486	7.3
81.03434	11.1
81.07045	33.8
91.05470	12.6
93.07043	46.5
95.04973	8.7
95.08593	34.5
95.15287	6.8
105.07052	55.5
107.08596	34.6
109.10125	17.5
113.18383	7.7
119.08558	44.6
121.06471	7.9
121.10161	16.6
123.11744	10.0
129.07001	8.2
131.08556	38.9
133.06450	9.7
133.10118	100.0
135.08063	34.9
142.07758	8.6
143.08516	57.3
145.10088	56.9
147.08028	10.1
149.09576	10.4
155.08559	29.9
157.10086	57.3
159.11707	39.0
161.09602	42.3
161.13292	9.3
167.08575	10.4
169.10094	39.9
171.11681	41.4
171.32848	6.6
173.13249	16.0
182.10878	9.1
183.11699	48.7
193.10114	10.9
195.11688	15.1
197.13312	29.6
207.11700	32.4
209.13191	29.9
211.14896	10.6
221.13219	44.4
225.12727	10.0
225.16447	8.0
233.13234	13.8
234.14024	10.7
241.49432	7.2
248.15511	13.6
251.18088	10.7
251.50543	8.7
253.19550	28.5
263.17932	70.1
281.18973	85.3
290.81573	8.0
299.20090	28.3
341.21420	13.6
354.24393	7.4
461.25723	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	461.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
61.50096	2.4
67.05497	6.9
76.10933	3.0
79.05492	11.7
81.03408	19.0
81.07061	7.1
83.08601	3.9
83.46193	2.7
91.05464	16.2
93.07035	27.9
95.04987	26.0
95.08611	15.5
105.07045	33.1
107.08591	32.8
109.06491	4.7
109.10127	6.5
117.07022	4.1
119.08556	31.8
121.10139	46.6
129.07031	3.1
131.08553	11.5
133.06512	16.6
133.10126	70.4
134.29010	3.1
135.08037	100.0
135.11664	13.4
143.08508	12.2
143.78163	2.9
145.10100	14.8
147.08046	6.9
147.11646	6.8
155.08575	5.0
157.10118	17.3
159.11703	13.2
161.09592	35.9
163.11134	6.0
169.10066	12.5
171.11670	16.7
173.09653	4.2
173.13217	16.1
183.07973	3.7
183.11673	16.1
185.09590	6.2
185.13248	4.8
187.11160	4.3
197.09528	12.1
197.13271	13.8
199.11133	7.1
199.14816	7.5
207.11795	3.1
209.13123	3.9
211.11185	7.1
211.14825	4.2
221.13245	5.6
223.11023	3.3
225.12688	3.8
239.14279	7.1
253.19456	6.2
263.17938	7.1
281.18985	67.7
299.20065	14.6
341.21222	5.1
401.23221	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	461.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00896	1.9
66.62979	2.0
67.05499	2.8
69.07063	2.6
70.57703	2.0
79.05496	4.9
81.03416	3.8
81.07065	16.9
83.08646	3.1
87.61821	2.1
91.05474	3.6
93.07051	12.9
95.08598	10.5
105.07029	11.3
107.04933	2.6
107.08602	23.8
109.06486	2.4
109.10139	4.8
117.06976	3.7
119.04937	2.9
119.08556	13.8
121.10110	10.7
123.11713	8.3
131.08574	8.9
133.06511	4.5
133.10133	23.5
135.08055	100.0
142.07719	2.3
143.08571	12.2
145.06490	3.5
145.10159	9.2
147.11694	3.7
155.08563	2.7
157.10114	9.9
159.11699	4.6
161.09644	12.6
163.11200	3.1
169.10147	7.8
171.11661	12.4
173.09680	3.3
173.13261	4.5
179.10661	4.3
181.10054	2.3
183.11684	10.3
185.09645	3.4
185.13275	11.3
189.12712	3.0
192.91293	2.2
193.10081	4.0
195.11685	3.9
197.13376	3.8
206.10907	2.9
207.11679	4.5
209.13278	3.8
211.14772	3.2
215.14244	2.9
221.13287	11.0
233.13304	5.2
235.14905	8.4
237.16417	2.8
239.17955	2.8
248.15598	11.4
263.18008	21.7
281.19019	29.1
283.20398	17.4
299.20068	4.5
315.19049	2.2
341.21130	15.3
380.71222	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	461.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02058	3.2
53.36806	3.3
55.05518	5.6
57.07051	3.8
59.39939	3.0
62.25470	3.4
63.60582	3.2
67.88866	3.3
69.07072	7.8
69.37948	3.7
79.05478	6.8
81.07061	20.1
83.05016	4.6
91.05494	16.1
93.07060	26.7
95.04958	4.9
95.08624	28.0
97.06515	6.6
105.07047	40.0
106.39739	3.9
107.04901	5.7
107.08607	23.2
109.06519	8.0
109.10177	19.3
111.08004	4.2
117.06976	4.1
118.59104	3.6
119.08560	40.5
119.69239	3.7
121.06466	6.9
121.10140	26.9
123.08059	6.5
123.11697	13.5
129.06989	6.7
131.08565	8.8
133.10139	64.3
135.08031	8.3
135.11725	6.6
137.09595	5.1
143.08560	37.0
145.10120	33.1
147.11627	8.9
155.08514	19.7
156.09340	8.7
157.10112	45.1
159.08029	6.3
159.11705	24.9
161.09631	8.2
169.10130	36.4
170.10970	4.8
171.11667	69.6
173.09621	5.4
173.13261	24.1
175.84569	4.1
179.08527	6.8
181.10176	20.9
183.11685	39.4
185.13290	27.2
187.11209	4.8
192.09367	5.3
193.10130	22.8
194.10892	8.9
195.11714	29.3
197.09552	4.6
197.13281	22.8
199.11267	5.9
206.10936	23.3
207.11684	32.0
208.12556	5.5
209.13266	21.2
211.14844	9.5
219.11728	5.1
220.12502	9.3
221.13191	46.5
222.13948	6.6
223.14893	8.9
225.12778	17.9
225.16351	5.5
233.13223	32.8
234.13966	8.3
235.14824	9.3
237.16339	14.5
239.14476	4.7
239.17903	6.9
248.15555	39.9
253.19385	9.1
263.17944	89.7
281.18982	100.0
299.20053	25.7
323.20013	5.4
341.21094	63.3
359.22433	6.5
377.23322	4.0
442.59607	3.9
461.25116	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38436	2.5
55.16027	2.8
61.24416	3.1
67.05475	3.8
68.97044	2.7
69.03423	12.0
79.05504	4.0
81.03423	44.7
81.07042	13.2
82.24617	3.3
83.18832	3.7
91.05479	15.1
93.07040	46.9
95.04955	23.3
95.08601	13.4
101.26112	2.8
105.07023	16.4
107.08585	40.4
109.06483	3.3
109.10130	6.1
113.33112	3.1
117.07017	3.7
119.04937	6.6
119.08590	22.9
121.10131	16.1
131.08511	4.2
133.06464	6.5
133.10115	38.4
135.08057	100.0
135.09079	5.7
145.06480	7.3
145.10152	6.9
147.07991	3.6
147.11681	6.4
157.10153	13.4
159.11612	6.4
161.09612	95.1
163.11174	11.8
171.11652	3.7
201.12686	4.0
203.48329	3.1
227.14232	7.0
241.15785	4.1
265.19473	4.9
283.20511	49.1
343.22717	6.8
421.96350	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28320	0.5
55.05511	1.2
56.99452	0.5
65.03919	0.5
67.05498	1.0
69.07059	0.8
79.05489	4.8
81.03413	2.7
81.07055	7.5
83.04959	1.0
91.05479	4.4
93.07051	4.4
95.04972	0.8
95.08596	4.9
105.07027	9.0
107.04925	0.9
107.08594	19.8
109.06533	1.3
109.10155	4.4
117.07028	3.3
117.34322	0.6
119.04934	6.1
119.08582	3.7
121.10137	2.4
123.07984	0.8
123.11691	6.5
128.06232	0.7
131.08586	1.4
131.44412	0.6
133.06485	5.6
133.10127	8.7
135.08051	100.0
143.08559	2.7
145.06479	6.2
145.10117	4.1
147.11751	0.9
157.10115	3.1
159.08063	0.8
159.11674	2.7
161.09601	7.3
163.11160	6.5
169.10158	1.4
171.11699	3.6
173.09631	0.7
173.13264	1.3
176.16898	0.6
179.10599	5.5
181.10121	1.2
183.11658	1.2
185.13232	1.4
195.11653	1.5
197.13254	0.9
199.14804	0.9
201.12776	0.8
206.10851	0.9
209.13277	1.2
213.12788	1.4
215.14200	1.0
220.74588	0.7
221.13242	0.8
223.14935	2.2
225.12643	0.6
239.17841	1.0
248.15701	1.4
255.21037	0.8
263.17972	2.8
265.19592	1.4
281.19028	1.4
283.20541	14.6
301.21658	0.9
341.21133	2.7
379.87399	0.7
461.28751	1.0
484.24026	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49091	0.8
55.70901	0.6
59.41889	0.6
67.05508	1.2
72.37657	0.7
75.44402	0.6
79.05484	4.7
79.90843	0.6
81.03410	1.4
81.07058	7.6
82.58874	0.7
91.05486	3.8
93.07038	3.0
95.04945	1.0
95.08591	6.1
97.73130	0.6
99.47610	0.7
105.07011	6.8
107.08599	20.6
109.10139	3.7
117.07024	3.0
119.04937	5.0
119.08564	3.8
121.10101	3.1
123.11705	5.5
133.06502	4.8
133.10101	6.0
135.08049	100.0
143.08553	1.2
145.06512	6.6
145.10161	3.1
147.07927	0.8
147.11716	1.2
157.10153	1.6
159.07982	0.8
159.11678	3.4
161.09599	6.3
163.11179	4.6
173.13252	1.0
179.10675	7.1
183.11662	0.7
185.13258	1.1
187.11275	1.1
199.11159	0.7
201.12721	2.7
209.13246	0.9
255.21042	1.1
265.19656	1.5
283.20490	14.7
301.21414	1.1
461.29248	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	461.2896
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.22945	1.3
57.07057	1.7
61.19974	1.5
67.05486	8.6
69.07056	8.2
71.04962	2.6
81.03380	1.9
81.07066	3.5
85.06541	29.5
86.09712	1.9
93.07072	6.1
95.04959	3.9
95.08601	7.8
97.06520	2.2
105.07009	3.1
107.08582	8.5
109.06482	3.0
109.10114	2.9
113.06001	11.9
119.08555	3.7
121.06496	7.8
121.10143	3.0
123.08048	18.1
125.41312	1.8
126.52103	2.0
131.08569	4.0
133.10115	7.2
135.08052	3.4
137.05968	7.5
137.09546	6.3
141.09094	2.1
143.08589	2.2
145.06393	1.7
145.10117	7.8
147.08026	2.1
147.11613	2.6
147.91077	1.7
149.09633	3.2
151.07553	2.0
157.10144	4.0
161.09636	4.0
161.13255	2.4
171.11662	2.6
173.09636	15.5
173.13226	7.9
189.09241	2.9
191.10680	11.2
195.11720	3.6
195.13692	2.0
197.13330	2.3
199.11118	2.4
201.12701	2.4
213.12709	3.8
215.14334	4.0
225.12807	3.8
227.14311	2.8
231.13748	15.1
237.16447	3.2
249.14780	19.0
255.17383	3.3
265.15924	8.1
279.67795	2.2
283.16934	14.2
301.17957	37.7
302.18811	3.5
311.20203	2.4
329.21011	3.3
331.22495	6.8
353.20776	2.3
367.22589	3.1
371.22128	36.4
385.23795	9.1
407.25699	4.1
425.26941	17.4
443.27884	64.9
461.19250	13.7
461.28976	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68295	1.2
56.20633	1.2
69.07066	1.7
79.05467	3.2
81.07066	10.5
85.29156	1.6
86.21065	1.3
91.05476	2.5
92.18623	2.4
93.07039	7.2
95.04966	2.4
95.08613	9.7
105.07066	14.1
107.08602	19.5
109.10106	2.9
117.06999	3.4
119.04961	2.7
119.08561	9.3
121.10129	3.3
123.11713	7.8
126.51659	1.3
131.58015	1.5
133.06544	5.0
133.10138	12.7
135.08049	100.0
135.11676	2.5
143.08566	5.7
145.06474	6.8
145.10086	6.2
150.68076	1.5
154.06207	1.3
155.08496	1.7
157.10121	5.8
159.11691	6.6
161.09593	8.2
163.11159	5.6
169.10181	1.8
171.11673	6.1
173.13391	1.6
179.10713	6.4
183.11725	1.9
185.13179	2.5
193.10138	2.5
197.13284	3.2
199.14790	1.7
201.12816	1.4
207.11665	2.8
209.13272	2.6
221.13203	2.7
225.12640	1.6
226.52930	1.3
233.13132	2.2
239.17816	1.6
248.15665	1.7
263.17880	6.1
281.18961	7.8
283.20566	15.8
315.66867	1.4
341.21057	7.0
348.45578	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	461.2898
Annotation	Hydrocortisone caproate
Peak:m/z	Relative Intensity
55.05495	1.4
57.03439	2.5
57.07071	1.6
67.05501	13.5
69.07069	37.2
71.04980	2.6
73.06573	2.8
75.92352	1.3
78.41174	1.3
78.45470	1.4
79.05499	2.5
81.07076	3.6
85.06551	34.4
91.71438	1.4
93.07037	7.1
95.04970	2.1
95.08598	9.5
95.87796	1.6
97.06521	9.2
105.07031	2.6
106.47224	1.6
107.07832	1.5
107.08571	3.1
109.06570	2.4
109.10150	2.5
113.05997	11.3
115.07564	10.1
119.08620	2.9
121.06506	2.3
121.10114	2.8
123.08100	3.5
130.85275	1.4
131.04883	1.7
131.56567	1.3
133.10127	7.8
137.05969	3.1
141.09093	2.6
145.10130	7.1
155.08531	2.3
159.11751	1.7
161.09680	2.4
163.11186	2.0
169.10219	1.5
171.11693	3.1
173.09656	9.3
173.13274	2.0
175.11197	2.5
181.10103	1.7
185.09740	2.9
185.13333	2.0
187.11107	2.2
191.10728	9.3
193.10239	1.9
195.11729	1.8
213.12753	3.7
223.11275	2.5
225.12685	5.7
231.13858	9.6
237.16325	2.4
239.14369	2.8
249.14905	3.6
265.15863	8.0
269.22122	1.5
283.17029	13.9
295.20593	1.6
301.17978	78.3
303.19415	2.2
313.21625	2.6
329.21448	1.7
331.22900	7.9
365.11594	1.5
385.23904	2.2
407.25894	2.5
425.27191	2.4
443.27933	29.3
461.19382	2.7
461.29047	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	461.2896
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.87998	1.9
57.03473	2.9
57.07072	2.0
59.30916	1.6
67.05503	11.6
69.03425	1.9
69.07077	30.1
71.04998	2.7
71.25409	1.8
73.06592	2.1
81.07066	3.9
85.02891	2.8
85.06548	27.1
93.07049	3.9
95.04984	3.2
95.08604	11.4
97.06525	10.3
105.07050	3.9
107.08624	3.6
109.06561	2.7
109.10210	2.3
113.05996	8.2
113.07405	1.7
113.09657	8.8
115.07563	8.6
119.08547	2.5
121.10146	2.9
123.08072	12.4
124.20584	2.4
131.08574	2.8
133.10120	3.0
135.11647	2.0
137.06068	2.3
137.66164	1.9
141.09158	7.4
143.08591	2.7
145.10118	4.8
147.11739	2.4
159.10300	2.4
159.11691	2.5
163.11272	2.3
165.12750	2.2
169.10168	2.1
170.29153	2.0
171.11696	2.4
173.09660	11.8
183.11766	2.8
189.09166	3.0
191.10693	9.1
193.12073	2.2
197.13280	3.0
211.11163	3.4
213.12880	2.9
225.12701	3.0
227.14314	2.3
231.13889	8.3
237.16537	3.1
249.14867	2.5
255.17416	2.7
263.14349	2.2
265.15894	8.8
266.93158	1.9
283.16937	15.5
299.16498	8.4
301.17969	91.7
303.19604	4.7
331.22852	4.0
385.23730	3.1
407.25800	3.3
425.27100	9.7
443.27902	39.7
461.29089	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44912	1.7
56.70842	1.8
65.14643	2.1
67.05508	4.0
69.03415	10.8
69.07008	2.4
79.05469	9.6
81.03413	51.1
81.07053	17.1
83.04980	2.0
83.08631	2.2
91.05486	5.2
93.07040	57.1
95.04978	20.5
95.08599	14.1
99.06915	2.2
105.07015	20.8
107.08592	32.1
108.82249	2.7
109.06470	2.8
109.10156	11.5
115.05405	2.3
117.06970	4.2
119.08576	27.0
121.10122	14.0
123.11720	5.4
131.08636	2.8
133.06487	9.2
133.10127	38.3
135.08043	99.5
135.11729	2.7
143.08542	8.4
145.06476	11.6
145.10107	17.6
147.11655	8.9
159.07957	2.9
159.11639	3.4
161.09599	100.0
163.11156	12.3
171.11667	4.4
173.13235	11.5
181.10098	3.1
195.11549	3.5
199.14723	2.5
201.12854	3.0
209.13173	3.4
213.12842	2.2
227.14305	4.7
241.15909	4.3
255.21069	2.6
265.19662	4.2
283.20554	55.4
301.21268	2.4
339.60648	2.5
343.22696	11.1
410.30573	2.6
420.21729	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.7
67.05488	0.8
69.53397	0.7
70.12630	0.9
73.64097	0.8
79.05480	4.8
79.46377	0.7
81.03423	1.5
81.07064	9.3
83.04974	1.6
84.84027	0.8
91.05438	1.5
92.63561	0.8
93.07048	4.4
95.08629	6.8
101.05991	1.1
105.07021	5.3
105.87064	0.8
107.08600	18.8
109.06478	1.1
109.10152	3.9
109.41425	0.8
117.07017	2.0
119.04956	3.4
119.08568	6.1
121.10091	1.6
123.11677	5.0
124.04501	0.9
131.08548	3.2
133.06480	5.5
133.10132	4.6
135.08046	100.0
135.11674	1.4
141.05580	0.9
143.08569	1.5
145.06465	5.1
145.10112	5.1
147.11656	1.5
157.10039	0.9
159.08032	1.0
159.11699	1.6
161.09584	7.1
163.11162	5.6
169.10187	0.9
171.11684	1.1
173.09589	1.3
179.10686	7.9
183.11652	1.0
185.13235	1.0
195.11618	1.4
199.11159	1.1
201.12741	1.3
265.19547	1.9
283.20587	10.2
301.21597	1.3
319.29507	0.8
461.33090	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
59.04996	5.2
59.39111	3.5
61.06796	3.6
67.05504	8.5
69.03428	5.4
69.07069	5.4
78.10506	3.6
79.05472	18.9
79.47918	3.6
81.03429	6.9
81.06645	4.1
81.07050	34.5
91.05465	23.2
93.07055	51.2
95.04939	9.6
95.08605	32.9
105.07047	34.2
107.08588	43.3
109.06495	4.4
117.06989	18.3
119.08562	35.0
121.10138	20.6
123.08035	5.0
129.07004	9.5
131.08566	29.4
133.10117	50.7
135.08043	37.3
135.11737	9.6
137.09639	5.2
143.08585	43.1
145.06448	7.4
145.10127	96.1
147.08055	5.1
147.11723	8.9
149.09671	6.8
155.08543	17.4
157.10146	37.4
159.11678	24.7
161.09587	35.3
167.08549	7.1
169.10127	26.7
170.10852	5.7
171.11632	35.9
173.09636	4.9
173.13271	9.7
179.08504	10.1
181.10156	43.4
183.11732	23.5
185.13248	22.1
190.06955	4.4
193.10106	20.0
194.10934	16.3
195.11633	31.3
197.13272	27.3
199.11229	4.7
203.25996	4.1
207.11720	7.1
208.12431	8.3
209.13239	33.5
209.73500	5.3
211.14803	7.8
213.12704	5.3
220.12495	6.3
221.13245	10.8
223.14836	72.2
225.12724	8.2
235.14737	5.6
237.16350	6.3
239.17928	4.4
241.15817	17.4
253.19168	4.5
263.17993	25.9
265.19495	98.8
281.19073	28.9
283.20526	100.0
421.06818	4.4
443.28131	5.2
461.29190	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
55.05510	13.4
57.03444	3.8
59.40761	2.7
60.30758	2.6
64.33363	2.5
67.05514	35.1
69.07066	11.5
71.05008	2.6
79.05489	32.9
81.07063	40.4
81.28833	2.4
83.08619	16.1
86.07440	3.0
89.84406	3.0
91.05498	23.6
93.07048	32.3
95.04949	3.6
95.08591	24.3
97.06491	3.1
105.07032	32.6
107.04959	2.9
107.08573	19.9
109.06495	5.3
109.10172	13.4
117.07003	28.0
119.08580	23.6
120.81675	2.8
121.06519	6.2
121.10135	15.0
129.07022	29.3
131.08568	37.9
133.06462	3.3
133.10153	6.0
135.11592	4.3
141.06979	16.6
143.08563	31.9
145.06493	4.6
145.10136	21.8
147.08072	3.9
147.11592	8.6
155.08560	19.5
155.30034	2.9
157.10109	17.8
159.07961	3.5
159.11722	5.7
162.95322	3.0
167.08623	6.6
169.10181	15.1
171.11684	4.2
181.10153	6.9
183.11595	5.9
185.09714	3.5
185.13216	4.2
187.11232	3.8
195.11673	5.2
197.13210	3.4
199.14886	3.3
203.14310	3.6
211.14856	4.4
215.14490	3.8
223.14836	4.6
235.14926	4.8
256.41840	3.1
257.15265	4.8
270.66833	2.8
333.22079	5.4
351.23206	27.9
369.24127	15.5
369.74542	3.1
387.24982	12.1
425.26556	3.8
443.27844	67.7
461.29025	100.0
488.49957	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	461.3259
Annotation	Polyporusterone E
Peak:m/z	Relative Intensity
52.50188	0.9
55.05508	1.4
57.03439	1.2
57.07071	1.6
60.27100	0.8
63.80470	0.8
69.07061	2.3
69.73727	0.9
71.05014	0.9
71.08620	2.1
74.07778	0.9
74.41973	0.7
81.07056	3.8
83.08609	3.6
85.10149	1.6
93.07033	1.6
95.08604	10.8
97.10158	3.6
105.07042	1.0
107.08582	1.9
109.06514	1.0
110.27155	1.0
113.09620	1.3
119.08530	1.9
121.10044	1.0
123.08179	1.0
123.11710	9.7
129.81168	0.9
131.08562	1.1
133.10072	1.3
135.08037	3.9
138.46045	0.9
139.45210	0.9
143.08495	1.0
145.10095	2.0
157.10161	1.1
157.44016	1.0
159.07944	1.3
159.11688	1.7
169.10098	1.0
171.08034	1.4
171.11685	1.1
173.09605	5.9
185.13281	5.8
187.11217	1.2
189.09109	1.0
191.10742	2.2
193.03326	1.1
195.11821	1.5
197.13350	1.8
209.13322	1.4
219.17445	1.6
225.12631	1.3
227.14209	1.1
237.16284	1.8
247.14919	1.2
265.15845	4.3
283.16928	14.9
293.18976	1.1
301.17966	100.0
302.18661	4.4
303.19641	1.7
311.20044	8.2
329.21115	18.5
425.30368	5.1
443.31488	11.4
461.26410	2.3
461.32559	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3264
Annotation	Polyporusterone D
Peak:m/z	Relative Intensity
55.05513	10.4
57.07082	2.7
69.07064	17.5
71.26186	2.2
72.26382	2.0
81.07052	15.9
83.08608	24.6
87.76102	2.3
93.07052	5.8
95.08594	24.0
107.08576	12.0
109.06468	3.0
109.10156	10.4
109.23132	2.3
119.08583	2.5
121.10126	12.0
123.08160	2.9
123.11699	41.8
133.10123	4.3
135.11664	2.6
141.12732	10.2
143.08517	4.0
145.10121	10.1
147.07922	3.3
159.11678	5.0
173.09613	5.7
173.13171	2.5
185.09344	2.8
185.13306	3.3
187.11182	2.5
191.10622	3.3
195.11734	2.6
213.12779	2.4
215.14268	5.8
225.12817	4.1
231.13913	3.6
235.14876	2.8
265.15814	3.4
283.16968	21.1
299.16348	4.1
301.17981	100.0
328.20374	4.8
341.21310	4.1
355.22617	10.3
425.30554	45.5
443.31528	49.1
461.32581	99.4
470.62701	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	461.3264
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
55.05500	4.2
57.03426	2.2
69.07056	5.5
70.42648	2.2
73.84363	2.2
74.66599	2.6
76.19442	2.4
81.07062	6.0
83.08614	14.6
83.90245	2.3
85.02904	3.8
85.06546	2.3
91.05479	3.2
93.07029	12.1
95.04940	3.9
95.08593	11.6
105.07040	5.6
107.04965	9.2
107.08579	6.1
109.10154	3.6
111.08083	69.1
111.11662	4.8
119.08551	4.5
121.10174	10.4
123.11724	4.4
131.08559	10.5
133.08037	2.7
133.10110	11.7
137.05939	4.1
141.12698	18.6
145.10120	5.7
147.11674	13.1
157.10172	9.2
159.11725	4.8
161.09668	3.1
161.13170	3.2
162.76505	2.4
171.11703	3.7
173.09624	4.1
173.20045	2.8
175.11172	2.6
175.14830	6.0
183.11703	10.1
185.13214	10.4
197.13303	3.6
206.45164	2.8
211.14745	2.6
213.12607	4.3
213.16441	2.5
224.86072	3.0
239.14308	4.2
249.16391	4.3
267.17407	15.0
267.20691	2.8
281.19119	3.3
285.18536	12.1
295.20673	10.0
299.16309	18.2
299.19922	3.1
313.21613	10.2
331.22476	3.1
347.70938	2.6
396.91931	3.0
425.30383	16.7
443.31531	100.0
461.25119	4.2
461.32159	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	461.3262
Annotation	Polyporusterone E
Peak:m/z	Relative Intensity
51.07840	0.8
51.48991	0.7
55.05484	1.5
57.03393	1.0
57.07059	1.2
59.04984	1.2
69.07053	3.8
79.05480	1.3
81.07045	4.1
83.08604	5.5
85.02907	3.6
85.06540	1.1
91.05440	1.7
93.07035	6.7
95.08626	11.8
96.54827	0.9
105.07015	5.5
107.04951	7.7
107.08604	9.5
109.10156	4.2
111.08067	3.5
111.11694	4.9
113.09608	1.4
119.04889	0.9
119.08544	2.1
121.06493	4.1
121.10142	9.1
121.79093	0.9
123.08051	1.1
123.11676	3.9
131.08530	3.7
133.10130	4.6
135.08035	1.3
135.11729	1.1
137.05962	4.0
139.11179	6.7
141.12718	5.3
143.08551	1.6
145.06532	1.8
145.10092	4.6
147.08069	3.4
147.11667	6.6
149.09564	1.5
151.07526	5.0
157.10091	3.7
157.12215	4.9
159.07993	1.1
159.11693	2.1
161.09599	1.3
161.13284	1.7
164.71609	0.9
171.11682	3.5
173.09599	5.7
173.13303	1.2
175.11205	1.2
175.14841	1.3
177.09123	1.7
183.11653	3.7
185.09624	1.7
185.13213	0.9
187.11092	1.1
189.09090	5.0
191.10641	9.3
193.04901	1.8
195.11772	1.2
197.13171	1.3
199.14833	1.1
209.11685	5.0
211.14742	1.6
215.14250	1.1
217.15817	1.3
225.12872	1.2
225.16264	1.3
227.14270	6.0
229.15839	1.8
239.17923	1.1
243.17409	2.2
257.19153	1.0
267.17590	6.3
271.16934	3.7
281.19073	2.1
285.11209	1.2
285.18539	7.7
295.20572	4.8
299.09094	10.1
299.20038	1.7
301.17969	1.2
302.18732	5.2
303.19565	5.7
313.21533	5.2
331.22574	4.9
359.83316	1.1
407.29831	1.1
425.30493	1.3
443.31522	18.2
448.43069	1.0
461.18307	5.5
461.32532	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	462.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21335	0.5
53.03950	1.0
54.17885	0.5
69.03434	5.3
71.04996	1.3
78.03448	2.8
81.03424	15.3
85.02895	4.7
86.09735	0.6
90.62440	0.6
96.04465	0.7
97.02888	2.5
99.04437	2.7
106.02914	36.6
106.06561	0.8
108.08097	1.2
109.02879	17.4
124.03944	100.0
127.03950	5.6
152.07062	3.7
165.58748	0.7
166.04930	1.2
181.92348	0.6
195.08696	1.0
232.06010	1.0
250.07123	6.4
268.08130	45.4
432.95590	0.6
462.15588	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	462.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64092	0.5
51.51301	0.5
53.03948	1.2
55.16382	0.5
55.48773	0.5
69.03432	5.1
71.04958	0.6
78.03443	3.9
81.03423	17.1
85.02905	6.1
91.78831	0.5
97.02876	2.5
99.04456	2.0
106.02914	45.4
109.02884	17.1
112.31477	0.5
117.57385	0.5
124.03943	100.0
127.03903	5.2
159.35219	0.6
180.12932	0.6
195.08717	0.8
226.18097	0.6
232.05873	0.7
250.07126	6.1
268.08130	49.1
294.59293	0.7
328.82016	0.6
348.30072	0.6
462.16006	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
57.07070	1.0
63.88063	0.8
69.03418	4.3
70.12453	0.8
71.38135	0.8
72.92482	0.8
78.03479	0.9
81.03425	5.7
84.73805	1.0
85.02903	6.3
85.06545	4.3
92.04984	3.4
93.79960	0.8
95.04923	0.9
96.08101	1.7
97.02908	5.6
103.07570	11.3
106.02915	10.9
106.06544	25.4
108.08109	35.4
109.02882	7.7
109.59293	0.8
123.06831	3.3
124.03933	29.4
124.07588	14.2
127.03928	4.5
134.06006	16.7
136.07567	17.5
145.04932	1.3
152.07054	88.0
153.01344	1.0
164.07062	0.9
170.08107	26.6
174.21873	0.8
237.37367	0.9
268.08130	9.6
299.33853	0.9
300.10904	3.4
444.18988	4.9
462.19821	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82133	0.7
54.17310	0.7
54.58477	0.6
55.05519	5.2
63.71233	0.5
68.51510	0.6
73.02921	1.2
77.67740	0.6
85.02892	3.3
86.78153	0.6
91.05449	0.7
101.02375	42.2
107.04964	1.0
108.05289	1.1
114.09164	3.3
119.03407	13.2
123.04420	100.0
127.03871	1.1
129.05467	0.8
144.63228	0.6
147.08038	3.8
165.09099	46.0
186.11308	0.6
189.89214	0.7
208.73875	0.6
266.97766	0.6
283.11716	16.6
284.55930	0.6
299.32657	0.7
312.09412	1.6
342.10272	1.0
462.34921	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08904	1.3
52.14731	1.7
57.03442	38.0
61.02924	14.4
69.03433	28.7
71.55248	1.7
72.55936	1.8
73.02921	100.0
78.72259	1.7
81.03421	3.7
85.02908	47.4
87.04475	2.4
91.03974	2.2
97.02894	56.5
109.02896	4.4
109.05764	3.8
109.06517	65.1
115.03932	44.7
121.06434	1.8
127.03912	17.7
133.04965	9.5
145.04962	16.3
150.07629	10.3
151.11194	40.4
163.06035	4.1
163.11209	11.0
223.06001	3.6
241.07133	9.0
259.08136	8.9
295.10236	10.4
295.15402	2.8
334.78055	1.9
462.23257	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97391	6.3
74.87831	9.6
111.48449	8.8
133.06490	38.2
137.05978	58.5
165.09093	19.3
257.13803	100.0
358.36594	10.8
434.18362	9.0
464.63565	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74925	0.9
69.03417	5.0
73.02936	1.3
81.03415	1.1
81.07047	1.8
85.02901	6.1
88.95733	0.9
92.17918	1.2
93.07033	2.1
95.04948	8.8
95.08600	1.6
99.04452	1.5
105.07031	4.3
106.02897	1.7
107.08588	2.3
109.06502	4.6
109.10122	1.2
111.04440	5.7
113.05993	4.3
119.08581	5.1
121.06483	5.4
121.10086	1.7
123.08041	5.0
124.03943	4.6
127.03925	1.4
131.08551	4.6
133.10114	1.9
135.08061	12.7
137.09554	1.7
139.03865	1.2
139.07547	1.3
145.04918	1.1
145.10153	4.6
147.08031	6.4
147.11670	1.2
149.09633	2.0
157.10109	4.9
159.08026	9.2
159.11665	9.0
161.09563	9.4
165.09131	9.0
171.11705	1.6
172.08844	1.0
173.09627	4.6
173.13303	5.7
173.59912	1.0
175.07559	12.2
175.11105	9.8
177.09038	1.2
183.11639	1.5
185.09676	1.7
187.11169	10.4
189.09093	1.3
189.12807	3.8
199.11157	8.4
201.12691	8.8
203.10667	9.4
211.11200	7.6
217.12254	5.6
229.12215	6.7
247.13303	18.9
265.14334	100.0
268.07999	1.4
326.59268	1.1
375.41763	1.2
387.95511	1.1
427.19598	1.9
462.16037	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	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15232	1.3
55.41681	1.5
57.03431	9.9
59.05001	1.9
59.14320	1.2
60.04523	1.7
66.42892	1.4
69.03429	60.0
75.08413	1.5
81.03415	2.0
81.40567	1.7
85.02905	40.6
87.04463	52.5
97.02888	60.8
101.08197	1.9
104.58876	1.6
105.07028	69.0
115.03926	68.6
127.03906	9.5
131.41025	1.7
133.04961	47.6
133.10126	100.0
139.03928	1.7
139.23276	1.7
145.05005	3.7
145.10097	2.9
150.07591	8.7
169.04977	1.9
175.11224	1.8
185.80774	1.7
214.25888	1.7
229.12265	2.8
247.13303	10.3
248.36476	1.7
253.94334	1.7
259.08084	8.3
277.09177	2.1
295.10223	10.3
313.16422	8.0
462.23380	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.4
57.03429	14.2
58.19489	2.0
58.77821	1.8
61.02918	11.4
62.72785	2.2
69.03433	31.8
73.02921	100.0
73.57411	1.9
73.67723	2.4
76.80561	2.1
81.03422	3.5
85.02904	66.2
87.04464	14.8
97.02893	61.8
100.07629	4.8
105.07029	8.5
109.02824	8.6
109.06511	35.7
115.03927	47.2
127.03904	27.6
133.04958	29.6
133.10124	82.0
135.08067	3.1
140.15654	2.3
145.04948	23.3
147.11667	3.8
150.07608	5.1
151.11151	30.9
163.05980	4.4
163.11165	10.4
175.11131	4.0
187.11209	2.4
194.30417	2.4
241.07216	3.8
259.08185	8.8
295.10266	8.9
331.22964	2.5
331.75125	2.4
416.83981	2.5
444.31906	4.2
462.17773	14.8
462.24146	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	462.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.7
55.83149	3.6
67.05500	6.8
69.07040	4.9
79.05485	5.0
81.07051	21.9
88.61202	3.3
91.05479	6.6
93.07036	36.6
95.04971	4.8
95.08594	67.8
101.97893	3.2
102.04467	3.2
105.07022	19.4
107.08591	29.6
109.10162	6.7
117.07001	5.7
119.08568	54.2
121.10126	21.3
131.08548	17.9
131.72824	3.8
133.10150	39.5
135.08025	3.7
141.07007	5.8
142.07721	5.6
143.08557	28.8
145.06482	16.3
145.10117	72.8
147.11681	19.6
155.08540	14.3
157.10065	33.5
159.11668	21.5
163.11249	4.2
167.08545	18.7
169.10117	27.0
171.11636	27.2
173.13214	7.5
179.08545	6.0
181.10095	43.8
183.11676	28.8
185.13261	19.2
193.10167	3.9
194.10913	8.1
195.11699	56.9
197.13239	21.3
199.14853	5.3
208.12451	3.7
209.13216	69.9
223.14790	38.9
235.14848	3.3
237.16344	6.5
250.17166	6.6
265.19492	87.3
283.20502	100.0
307.20523	6.6
325.21490	14.9
343.22702	27.1
385.23642	5.6
408.72952	3.7
416.29272	6.9
424.03937	3.7
444.28683	22.8
462.29117	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3005
Annotation	L 696475
Peak:m/z	Relative Intensity
53.22351	0.7
55.44647	0.8
63.48561	0.9
67.66019	0.7
79.45411	1.0
94.72619	0.8
100.13059	0.9
128.79396	0.8
161.86729	0.8
296.54672	0.9
299.50854	0.8
346.21692	1.8
347.21915	1.0
416.29453	82.1
429.26303	1.0
444.28958	100.0
462.30017	61.0
462.55170	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	463.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74860	0.6
91.72411	0.5
143.01881	3.3
156.97475	1.2
161.02951	1.0
171.86153	0.7
173.02893	0.8
180.97467	21.4
182.98975	0.7
185.02948	3.1
195.02512	0.7
197.02908	0.9
198.98531	100.0
201.98007	0.6
203.03998	0.9
210.98511	4.8
216.99580	13.6
222.00014	0.9
222.98489	2.8
225.00107	1.2
227.04034	1.1
228.99654	9.2
234.98547	4.6
240.99545	14.7
245.05078	8.9
252.99550	0.8
259.00705	3.0
274.22464	0.7
283.00574	9.3
301.01712	24.0
301.56525	0.7
319.02832	2.7
343.02658	0.8
463.06924	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
54.72038	0.2
68.74777	0.2
75.31680	0.2
98.47131	0.2
102.06046	0.2
103.04136	0.3
220.59572	0.2
237.16046	0.3
258.04953	0.3
265.74936	0.2
286.01462	0.3
286.04688	15.3
301.07053	100.0
463.12332	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	463.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28801	0.7
56.96584	1.1
63.71317	0.8
77.72878	0.7
92.13924	0.9
98.97585	38.9
112.19278	0.8
112.99090	0.9
116.98621	9.4
120.96627	0.8
124.99111	4.5
131.00177	5.0
143.00154	7.8
149.01245	4.7
155.00163	5.8
158.99646	29.9
161.01201	26.3
173.01208	6.4
177.00699	8.1
179.02274	36.7
180.97537	4.0
185.01237	1.9
185.63202	0.9
191.02312	7.1
197.03346	7.1
198.98689	1.0
221.01601	0.9
221.03319	47.4
239.04373	100.0
253.23482	0.8
257.05374	7.5
262.05988	1.0
281.05426	54.7
299.06641	1.3
301.12772	0.8
403.11218	86.5
421.01727	0.9
439.27856	0.9
463.07294	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	463.1787
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
50.44492	0.4
57.31874	0.4
67.26501	0.4
85.02922	0.5
111.08678	0.4
115.42178	0.4
123.04406	0.7
124.03915	0.6
139.03883	0.4
220.02499	0.4
279.47488	0.5
279.69205	0.4
463.17822	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	463.179
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
51.70555	0.5
56.46627	0.5
67.38051	0.6
75.14120	0.6
79.47388	0.5
85.02906	1.3
86.29102	0.6
94.66049	0.5
110.76649	0.5
147.04420	1.2
153.05234	0.9
155.07030	20.1
155.08220	1.0
165.05504	2.7
171.06281	10.4
185.04242	1.1
203.05284	2.8
255.12074	2.5
285.78345	0.7
287.11008	24.6
301.12601	1.0
317.12592	4.7
333.11530	10.9
380.62094	0.7
381.02646	0.7
401.17935	8.4
417.17285	31.1
463.17892	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	463.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07091	6.1
58.70206	6.3
65.71633	6.8
69.03463	6.9
70.49376	7.1
79.05511	12.7
81.07054	7.9
83.04965	8.2
84.95803	6.8
90.64136	6.3
94.14178	6.8
95.08598	25.4
96.51259	6.5
100.00870	7.7
105.07027	27.5
107.08566	31.0
109.10198	8.6
117.07086	6.4
119.08561	28.6
131.08551	15.1
133.10124	50.7
135.08058	75.2
136.08389	37.1
143.08574	15.0
145.10103	17.2
147.11667	9.0
149.09657	7.7
157.10176	40.2
159.08090	13.6
159.11670	37.7
161.09700	9.0
163.07507	8.2
169.10095	17.3
171.11691	32.1
173.09616	8.2
181.10078	9.8
183.11705	48.0
185.09599	10.9
185.13293	15.8
187.11227	15.4
189.33047	7.8
193.10075	9.1
195.11736	48.2
196.12646	9.4
197.09721	8.2
197.13219	51.2
199.11102	11.9
201.30663	7.1
207.11734	12.3
208.12517	11.2
209.13260	51.8
211.14877	67.2
221.13354	10.1
222.14024	36.5
223.14774	16.0
225.12686	13.7
235.14760	16.0
237.16379	58.6
241.16100	7.4
247.14714	10.3
250.13408	9.2
255.17421	15.2
263.92554	7.3
265.15869	91.1
283.16925	100.0
301.18024	16.3
343.18890	55.1
353.17633	9.5
361.20129	39.3
463.22952	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	463.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44039	4.8
50.59196	4.5
54.30127	5.3
67.05514	5.4
67.20220	5.2
69.03407	6.3
69.07063	9.1
69.60467	7.2
79.05457	6.8
81.03407	40.9
81.07066	22.6
88.55088	6.1
91.05461	11.1
93.07052	48.1
95.04951	23.9
95.08595	30.3
105.07036	30.7
107.08617	54.2
109.10149	14.7
119.08567	24.8
120.89111	6.5
121.10129	30.7
124.95259	6.0
131.08592	11.4
133.10081	42.9
135.08054	100.0
135.11693	8.4
145.10080	13.7
147.11665	8.4
157.10161	14.1
159.11664	8.0
161.09625	90.7
163.11186	6.3
171.11679	10.2
173.13097	6.3
175.11327	6.8
185.13304	9.1
195.00583	6.5
199.14861	12.8
218.17989	6.4
245.69490	6.5
255.21046	14.1
265.19525	11.7
283.20538	98.2
286.32977	6.3
343.22391	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2692
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
52.85002	1.3
53.03943	1.5
55.05505	2.0
57.03436	3.0
61.02912	3.7
67.05492	9.3
69.03426	18.9
69.07054	1.8
71.04981	1.6
79.05471	6.2
81.03409	7.4
81.07047	10.0
83.04985	2.6
83.08611	2.0
85.02903	45.0
87.04481	7.5
91.05482	5.8
93.07035	18.0
95.08610	18.4
97.02879	20.1
99.04478	3.0
105.07008	14.4
107.08601	21.1
109.02872	5.9
109.06496	2.7
109.10171	18.5
111.08070	3.2
115.03905	3.5
117.07014	3.6
119.08566	17.3
119.51371	1.5
121.10145	8.9
127.03889	11.2
129.07018	2.1
131.08560	12.3
133.04927	2.6
133.10115	21.6
134.10439	2.1
135.11696	3.3
137.05927	2.1
137.09645	2.2
141.06958	2.2
143.08546	6.8
145.04898	2.8
145.10069	16.4
147.08089	1.9
147.11705	15.1
155.08543	3.0
157.10089	14.4
159.11679	21.1
161.13286	2.7
163.11240	2.3
167.08591	2.9
167.10666	5.6
169.10117	100.0
171.11694	15.0
173.09737	1.8
173.13249	17.0
175.11147	8.6
181.10130	6.1
181.20935	1.6
183.11711	13.8
185.13260	10.4
187.14856	3.3
189.12630	1.8
195.11664	7.5
197.13243	2.3
199.14818	9.4
209.13319	6.7
211.14793	6.3
213.12729	2.2
213.16325	2.9
223.14893	10.1
225.16469	3.0
227.14265	2.7
237.16405	7.8
239.17906	6.3
250.16971	2.3
253.19533	3.2
255.17343	2.5
255.21030	3.7
265.19485	17.2
267.21109	5.7
283.17337	2.6
283.20517	52.3
285.21985	2.1
301.14777	2.5
301.18011	16.3
301.21622	59.8
427.24789	2.2
432.93436	1.6
441.34552	1.9
463.27850	30.0
475.15326	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	463.2691
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
55.80646	5.6
55.93681	6.1
60.93252	6.8
69.03417	32.6
69.07053	13.5
79.05502	7.1
81.07064	61.4
85.02887	69.7
91.05468	11.9
93.07014	33.5
94.34592	6.8
95.08604	44.9
97.02872	31.1
99.08055	16.7
105.07007	30.5
107.08586	37.2
109.10160	15.6
119.08552	35.5
121.06374	6.5
121.10149	36.0
121.23868	8.1
123.11592	8.3
131.08559	11.1
133.10094	36.0
135.11636	7.4
143.08525	12.0
145.10110	44.4
147.11678	32.9
149.09573	8.9
155.08533	10.2
157.10104	26.7
159.11656	38.9
161.09586	13.8
161.13210	11.4
165.12672	7.6
169.10133	9.8
171.11621	12.4
173.09659	9.6
173.13232	15.4
175.11165	35.1
183.11603	13.9
185.13292	8.4
187.14801	10.1
195.11740	12.3
197.13309	12.6
199.15001	8.1
201.12625	8.2
209.13182	9.0
213.16393	10.1
223.14807	14.8
227.14218	10.0
241.15854	14.2
255.21153	28.0
265.19501	35.5
277.62082	7.6
283.17236	13.2
283.20554	71.1
301.17938	59.9
301.21637	64.9
343.22610	26.7
359.78424	6.7
398.40829	6.8
409.27383	9.2
427.29071	8.9
442.30606	7.3
445.25143	12.8
445.30338	9.2
449.01508	7.5
463.26559	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	463.3054
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
56.63671	0.8
65.93713	0.9
67.05502	1.4
69.07071	1.4
69.33324	0.9
79.05492	3.1
81.07057	47.8
91.05495	1.1
92.18444	1.8
93.07031	1.3
95.08582	2.1
97.10159	1.1
99.08097	32.0
105.03388	5.6
105.07035	1.3
107.04929	3.6
107.08577	1.5
109.02940	0.9
109.06528	0.9
109.10146	7.9
109.43020	1.1
119.08646	1.1
121.10149	1.1
127.11187	1.3
133.10152	1.1
137.05956	2.3
143.08585	1.4
145.10141	2.0
147.07982	1.1
155.08612	1.0
169.10097	1.3
181.10112	1.4
183.11664	1.3
184.96272	0.9
195.11809	1.5
197.13272	5.5
221.13148	1.9
223.11237	1.1
223.14914	1.1
225.12732	2.4
237.16335	1.6
247.14777	1.0
253.19492	1.4
255.17400	1.5
265.15820	3.5
267.08636	1.3
283.16946	22.2
283.19989	1.7
286.04773	4.8
294.84439	1.0
299.16238	1.6
301.07047	45.0
301.17966	100.0
301.20786	3.5
311.19958	3.8
317.19199	1.3
329.21149	8.2
337.84332	1.2
353.21222	4.2
409.27399	13.4
427.28439	22.3
445.29675	2.2
463.30612	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	463.3057
Annotation	Podecdysone B
Peak:m/z	Relative Intensity
51.63365	2.0
55.05518	2.0
59.49638	2.1
67.05502	3.1
69.03417	4.0
69.07059	15.0
71.04975	2.8
79.05478	9.2
79.42967	1.9
79.57781	2.1
79.61407	2.3
81.07063	68.5
85.02908	5.0
86.06837	2.0
90.34214	2.2
91.05450	3.2
92.17757	2.4
93.07041	9.7
95.08614	8.5
97.02886	3.4
97.06496	4.9
99.08083	22.1
105.07030	5.2
107.04924	2.7
107.08586	41.6
109.10143	3.3
119.08583	4.8
121.06473	3.6
121.10138	9.2
125.09626	100.0
127.03893	2.9
128.27867	2.4
129.06938	3.3
131.08513	3.3
133.10126	14.0
134.10486	4.1
135.04398	3.5
137.05911	2.3
141.06955	2.5
143.08557	4.2
143.10670	41.0
145.10106	14.2
147.08063	2.7
147.11746	3.8
153.54079	2.3
157.10126	9.4
159.11682	3.8
161.09570	9.0
169.10109	15.5
169.62003	2.4
171.11684	2.9
173.09613	4.6
173.13255	3.3
175.11188	3.5
175.14627	2.5
180.63448	2.2
183.11852	2.7
189.09053	3.5
191.10735	9.0
197.13280	2.6
199.11147	2.8
209.13440	2.7
211.10994	2.7
225.12794	2.9
227.14201	3.8
243.08777	3.9
244.09593	20.8
283.16968	8.8
283.20407	5.4
285.18292	4.7
286.04614	4.1
286.15668	4.5
301.07071	22.5
301.17908	11.9
301.21594	8.5
303.19547	60.4
346.59320	2.6
379.16119	5.5
427.28708	23.4
445.29501	7.6
463.12088	4.6
463.17551	4.9
463.30817	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
55.05525	9.9
57.03446	5.3
57.07072	1.9
67.05161	1.7
67.05505	24.7
69.03423	1.2
69.07069	12.2
70.46870	1.2
71.04999	1.5
79.05499	17.0
79.13025	1.3
81.07063	28.7
83.08628	6.6
91.05481	20.0
93.07046	24.7
95.04963	1.9
95.08610	22.7
97.06524	6.1
97.10169	5.0
105.07031	29.3
107.04954	3.0
107.08585	14.4
107.41773	1.4
109.06548	2.7
109.10141	6.0
111.08098	2.1
117.07006	18.2
119.08577	19.2
121.06450	2.5
121.10141	13.3
123.08043	1.5
129.07001	8.7
131.08556	32.3
133.10117	21.1
135.08044	3.1
135.11676	7.5
143.08551	12.5
145.06500	1.9
145.10121	19.5
147.08008	2.0
147.11688	3.3
149.09647	1.9
155.08534	7.6
157.10112	12.8
159.11676	10.5
161.09612	1.6
161.13275	2.3
169.10106	8.0
171.11681	10.5
173.13275	2.9
181.10115	2.2
183.11693	5.7
185.13264	5.1
187.14813	1.8
195.11768	2.0
197.13365	4.8
199.14830	2.0
209.13339	1.9
211.14734	1.8
233.15448	1.9
247.16936	2.3
273.18530	2.0
334.03418	1.5
335.23550	1.7
343.26224	2.8
353.24689	10.3
371.25656	17.5
389.26819	14.9
445.29477	100.0
463.23645	2.2
463.30362	58.6
466.69144	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	463.3054
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
53.03931	2.0
55.05509	2.3
67.05501	2.6
69.07068	12.5
79.05493	5.0
81.07058	60.9
85.02909	3.3
93.07027	4.8
95.08590	4.4
97.06496	3.2
99.08087	39.9
105.07026	4.1
107.08600	10.4
109.10139	14.8
119.08580	5.1
121.10122	3.6
125.09608	11.5
127.11183	3.5
131.08546	3.6
143.08597	3.7
143.10716	2.3
145.10107	10.1
147.11749	4.3
155.08566	2.6
157.10092	2.7
159.11705	4.3
160.92577	2.0
165.12756	18.8
169.10109	2.5
171.08044	2.6
173.09616	3.4
183.11591	2.7
185.13312	2.7
191.10719	2.5
195.11679	4.1
197.13266	8.5
211.14833	2.7
213.12659	2.9
221.13297	3.3
265.15909	3.5
283.16888	21.0
283.20160	3.6
299.16354	3.8
301.17996	100.0
301.21442	8.6
311.19958	3.2
329.21130	5.1
353.21176	3.6
409.27570	18.2
427.28442	34.9
445.29538	49.3
463.31100	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05521	13.7
55.96057	1.5
57.03432	2.8
58.70629	1.4
63.26273	1.3
67.05508	27.1
67.41250	1.4
69.07066	16.0
71.04986	3.0
79.05495	26.0
81.07057	38.5
82.00617	1.3
83.04972	1.4
83.08605	8.4
91.05480	30.3
92.34085	1.5
93.07046	27.0
95.04977	1.7
95.08604	25.0
97.06512	2.6
97.10168	2.5
105.07026	41.7
107.04929	2.2
107.08575	16.5
109.06506	3.0
109.10165	13.4
117.07030	19.2
119.08581	29.3
121.06509	3.3
121.10110	11.4
123.08047	1.9
129.06981	9.5
131.07655	2.6
131.08565	38.0
133.06467	1.9
133.10118	19.3
135.08075	5.0
135.11681	8.1
137.09674	2.3
141.07007	3.3
143.08553	16.1
145.10101	25.7
145.63554	1.6
147.08018	3.2
147.11636	5.8
149.09590	5.7
155.08557	7.0
157.10152	12.7
159.08098	1.6
159.11696	8.3
161.13225	1.7
161.67186	1.4
163.11130	2.0
169.10121	7.1
171.11653	9.5
173.09608	3.1
173.13292	6.2
181.10071	2.2
183.11755	7.0
185.13309	6.7
187.11133	2.0
187.14873	2.8
195.11682	3.4
197.13292	3.1
199.14897	3.0
201.12712	1.8
201.55099	1.4
209.13234	2.4
211.14825	2.6
223.14830	2.4
236.61757	1.6
237.89124	1.3
241.16066	1.9
257.76538	1.5
325.25519	1.7
335.23807	3.5
343.26358	6.6
353.24753	10.9
367.23807	1.7
371.25708	26.3
389.26855	29.4
427.28152	1.6
445.29449	82.4
463.30518	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53458	3.7
55.05507	17.5
55.21530	4.3
60.39817	3.2
66.39146	3.7
67.05519	38.9
69.07058	24.7
79.05484	23.3
81.07060	37.4
83.04982	4.2
83.08611	15.6
91.05462	24.7
93.07030	32.0
95.08601	47.4
105.07055	39.1
105.07624	4.5
107.08587	23.8
109.06491	6.8
109.10133	15.2
114.15714	4.4
117.07019	17.5
119.08590	31.2
121.06445	7.3
121.10155	17.7
123.04472	4.0
129.07016	15.4
131.08566	35.6
133.10117	22.6
135.08107	6.1
135.11726	9.3
143.08568	5.9
145.02876	5.0
145.10094	22.1
155.08580	8.3
157.10100	8.7
159.11668	7.2
177.05449	23.8
181.10175	5.0
195.06389	14.0
197.13123	4.4
209.08069	7.6
223.09685	16.4
228.48845	3.8
237.11215	9.2
251.12776	4.4
343.26688	5.3
353.24747	4.6
371.25980	20.0
389.26898	43.6
389.31213	5.1
445.28571	19.4
445.33215	27.3
463.17188	21.1
463.30029	100.0
463.40088	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	463.3415
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
55.05503	14.7
57.07066	13.5
67.05496	18.6
67.99068	3.0
69.07066	36.8
71.08621	6.1
74.00217	3.2
81.07053	42.8
83.08622	25.9
92.03620	3.9
93.07030	3.7
95.08610	48.1
97.10172	18.2
107.08580	6.6
109.06539	4.1
109.10168	28.3
111.04441	4.9
111.11723	4.9
113.05885	4.0
121.10146	4.0
123.11700	20.2
125.05930	4.6
135.11690	6.3
137.05968	100.0
137.13228	5.3
149.13184	4.1
151.03894	22.0
151.07552	6.9
159.70219	4.0
165.09096	4.6
169.08609	13.1
181.04953	5.1
193.12280	5.3
401.33975	7.7
427.32108	6.4
445.32919	24.2
463.31979	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71321	3.0
55.05505	17.4
59.94972	2.6
65.83723	3.0
67.05492	2.9
69.07074	24.4
70.94421	2.9
71.08653	3.7
81.07053	24.1
83.04974	29.7
83.08607	18.2
93.07018	4.2
95.08591	23.2
95.52013	3.1
97.10182	7.2
99.41384	3.4
109.10184	26.1
111.11737	4.1
111.28687	3.1
121.06503	18.9
121.10136	6.5
123.11708	5.7
127.07538	4.2
133.10173	4.4
135.07997	5.3
135.11687	6.3
137.09612	18.3
137.13162	3.6
139.07542	41.6
140.37097	3.0
147.11745	4.6
149.13223	4.0
151.07547	6.5
159.11707	3.2
163.07512	7.4
165.09094	3.7
171.11647	3.2
181.08627	11.0
182.15405	6.2
318.55511	3.1
345.09158	3.2
417.37482	7.5
419.39105	5.4
427.35889	4.0
445.36420	21.7
463.37750	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	464.153
Annotation	Trp-His-OH
Peak:m/z	Relative Intensity
54.92390	0.6
54.92667	0.5
58.52044	0.5
70.22079	0.5
71.30917	0.5
85.02882	0.9
91.05460	0.6
92.18391	0.7
103.07605	0.8
104.19452	0.6
109.30314	0.6
109.98676	0.5
119.93427	0.6
135.08046	1.0
137.05907	1.9
145.02573	5.5
287.88101	0.6
315.10501	12.7
328.57666	0.6
333.11563	0.9
437.14056	0.7
464.15262	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	464.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65441	0.8
53.03954	1.5
55.01876	0.9
57.03444	1.4
58.43398	0.8
58.84994	0.9
59.46222	0.8
62.10690	0.9
65.78416	0.8
69.03429	9.4
71.04978	1.1
75.45547	0.9
78.03450	8.5
81.03424	18.0
85.02911	12.1
91.05487	0.9
96.04504	1.1
97.02905	7.8
99.04466	4.9
103.07576	4.6
105.03400	3.4
105.07021	1.5
106.02920	79.2
109.02886	13.8
118.23311	0.9
119.04931	2.1
123.04417	1.2
124.03952	100.0
127.03893	8.4
130.80750	0.9
137.05997	8.4
145.04883	1.4
147.04393	9.9
163.07533	1.0
179.07074	1.7
232.06018	1.3
250.07129	19.1
268.08157	31.3
367.13446	1.1
434.14557	8.0
464.15427	26.5
464.21484	1.3
472.15485	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	464.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65407	0.6
53.03946	3.8
53.04172	0.6
57.03427	0.6
69.03434	10.9
71.04991	1.1
78.03452	8.2
81.03420	27.2
85.02897	9.8
96.04477	2.7
97.02898	6.3
99.04478	5.3
101.62194	0.6
105.03377	0.8
106.02916	81.6
109.02881	17.7
111.71233	0.6
111.82216	0.7
119.04997	1.0
123.04413	1.4
124.03947	100.0
127.03891	8.2
131.04904	3.3
137.06000	9.4
147.04393	6.6
163.03917	1.4
165.05452	0.7
166.05000	1.3
179.07001	0.8
181.04921	1.5
196.06094	1.2
208.06024	0.7
232.06042	1.5
250.07083	27.5
267.91919	0.7
268.08151	41.9
273.25644	0.7
464.15454	27.6
464.22354	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	464.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.4
61.02910	0.8
69.03423	1.9
69.91379	0.5
71.04980	0.7
72.84881	0.4
76.77123	0.4
81.03407	2.0
85.02483	0.4
85.02915	8.6
90.77517	0.4
97.02863	2.8
99.04460	0.5
106.02902	0.6
109.02855	1.7
112.07590	0.5
124.03925	2.6
125.04292	0.8
127.03915	2.0
133.06454	0.8
137.05986	0.5
145.34622	0.4
149.06012	1.7
167.01596	3.3
169.03151	7.0
179.07100	0.9
180.07803	100.0
181.03172	29.0
189.03732	1.9
193.03233	0.7
195.04762	3.1
207.04733	1.8
213.05844	5.0
221.06349	0.7
285.07870	11.3
302.10544	43.3
338.69568	0.5
464.15982	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	464.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08224	0.9
57.03418	0.9
59.86194	1.2
72.55256	1.1
73.02922	5.3
85.02914	1.4
107.08582	1.3
109.10187	1.5
115.51643	1.3
137.05968	6.5
149.05844	1.1
159.57927	1.2
161.05937	5.0
162.06651	1.3
179.07016	4.7
183.08064	2.1
187.64281	1.2
191.06949	1.5
211.07533	2.7
227.07298	1.6
239.07002	14.1
243.10089	1.2
251.06909	2.6
253.08652	1.5
254.09389	11.0
255.06537	2.9
256.07465	1.4
267.06482	12.0
269.08261	1.4
270.08835	7.6
271.09622	14.4
273.11200	65.6
282.08832	15.6
283.09637	13.1
287.09232	6.2
299.09106	100.0
301.10736	26.3
302.11398	24.1
313.10721	7.6
314.11456	97.2
328.50778	1.5
332.12662	1.3
464.16797	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	1.2
54.90880	1.3
57.03430	2.9
61.02924	7.1
69.03429	14.1
71.05003	1.5
73.02900	1.4
78.42081	1.3
79.05515	1.6
81.03423	5.6
85.02909	100.0
91.03942	5.6
97.02888	26.1
99.04439	2.3
103.56906	1.4
109.02876	8.6
112.35190	1.4
123.04398	9.8
124.03930	2.5
127.03916	26.2
144.06557	2.6
145.04953	35.6
160.30954	1.5
161.05980	23.5
163.06018	12.8
179.07072	3.1
203.06973	5.9
219.45366	1.5
221.08044	6.9
243.40982	1.6
285.09683	11.2
325.11365	2.7
342.16275	1.4
464.18454	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	464.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.2
68.95794	1.1
69.03429	5.2
71.04991	73.0
73.02925	1.3
75.04469	4.3
78.20265	1.0
81.03422	1.6
83.04975	4.9
85.02904	100.0
87.04453	6.9
97.02887	7.3
98.50760	1.1
99.04418	2.0
104.15930	1.2
107.04947	6.5
109.02878	1.8
111.04459	1.9
115.03922	1.7
119.80965	1.4
127.03889	2.5
129.05476	37.3
133.04977	1.4
135.08052	8.2
139.07556	9.2
145.04872	2.0
147.06537	15.3
164.09195	5.4
267.12222	1.5
273.09698	1.6
302.81558	1.2
309.11902	2.6
344.19836	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06462	1.6
56.34078	1.6
57.03428	8.3
57.31748	1.4
59.05003	2.5
69.03085	2.8
69.03427	48.8
73.02882	2.5
79.05502	20.9
85.02906	41.5
87.04466	43.2
91.05476	8.8
91.71555	1.8
92.17801	1.8
93.07040	100.0
95.04960	3.6
95.08619	1.9
97.02886	50.0
99.04443	2.4
105.03382	2.6
107.08601	27.2
109.10128	2.7
115.03918	66.7
123.04426	1.6
125.91602	2.0
127.03886	8.6
131.04936	7.3
131.74484	1.7
133.04974	41.1
133.10146	2.8
135.11687	57.7
141.05006	1.8
142.60979	1.9
143.08443	1.8
145.04959	9.4
146.38377	1.7
150.07588	9.6
153.12727	2.3
160.90840	1.7
169.72803	1.6
177.12744	3.4
185.13274	2.2
192.87334	2.0
193.82616	1.6
223.06047	1.8
241.07106	2.5
249.14598	1.9
259.08096	7.1
267.15900	12.4
295.10205	7.3
397.45132	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	465.103
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.36877	0.1
53.03945	0.3
55.01867	0.2
57.03424	0.3
61.02934	1.3
69.03138	0.1
69.03436	2.1
71.04997	0.3
73.02912	0.2
81.03430	1.4
85.02905	9.3
87.04467	0.3
89.27254	0.1
90.84683	0.2
91.03965	0.3
96.31586	0.2
97.02898	2.8
99.04455	0.4
109.02853	1.1
120.94958	0.2
127.03921	2.0
137.02309	1.0
137.05914	0.2
145.04951	1.2
153.01784	0.8
164.94334	0.2
165.01826	0.8
183.02963	0.3
201.05438	0.2
216.48283	0.2
229.04953	1.1
247.06204	0.5
255.20207	0.2
257.04367	1.2
274.04984	0.2
275.05319	0.3
285.03940	0.8
303.04974	100.0
315.04990	1.1
327.04849	0.2
345.05981	1.6
369.06070	0.3
406.17114	0.2
409.66556	0.2
429.86514	0.2
465.10345	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	465.1027
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
50.34038	0.1
51.49013	0.2
53.03949	0.2
53.80940	0.2
55.01846	0.3
57.03427	0.4
61.02908	1.0
69.03423	2.5
69.79466	0.1
70.49383	0.2
70.69067	0.2
71.04972	0.3
73.02881	0.2
81.03401	1.7
85.02897	8.6
87.04446	0.3
89.03336	0.2
91.03902	0.2
92.18459	0.3
97.02882	3.4
99.04442	0.3
109.02863	0.9
111.00807	0.2
121.02823	0.2
125.89937	0.2
127.03904	1.5
130.19983	0.1
137.02330	0.9
142.18678	0.2
145.04971	1.0
148.43607	0.2
153.01765	1.1
158.90433	0.2
165.01794	0.4
229.04932	1.0
257.04391	1.3
285.03955	0.3
303.04950	100.0
465.09915	0.2
487.32480	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	465.103
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
57.03424	0.3
61.02927	0.7
64.55508	0.3
65.44209	0.3
69.03410	2.1
73.93755	0.3
74.57061	0.3
81.03405	0.6
85.02908	8.2
92.17902	0.4
97.02872	2.8
100.70311	0.3
111.09668	0.3
111.14793	0.3
127.03887	1.8
137.02315	0.4
145.04895	1.3
165.01944	0.4
176.64191	0.4
229.04953	0.6
242.39761	0.4
257.04492	0.5
267.80750	0.3
285.03937	0.6
303.04962	100.0
405.20071	0.4
474.98459	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	465.1031
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
67.43388	0.2
69.03412	0.3
85.10793	0.2
91.05508	0.3
109.02867	0.3
119.04956	0.3
121.02816	0.2
123.04420	0.4
137.02341	0.5
138.46078	0.2
139.03874	0.5
147.04402	3.3
153.01730	0.8
165.01817	0.9
165.51335	0.2
183.03004	0.3
210.94983	0.2
219.09435	0.3
229.05006	0.5
234.31276	0.2
254.10768	0.2
257.04587	1.0
285.03998	0.9
303.04977	100.0
465.10141	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	465.1397
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
55.01880	1.0
68.99777	0.8
81.03432	6.9
85.02866	1.9
92.17927	1.5
96.64135	1.2
99.04446	5.6
107.04959	1.2
109.02902	8.4
109.06533	1.0
111.04463	1.0
119.04940	4.6
121.02849	5.3
121.06477	1.5
123.04425	20.6
127.03840	1.8
128.01593	1.0
135.04460	1.8
139.03896	81.6
147.04396	62.9
154.91420	0.9
163.03877	8.3
165.01938	3.2
183.02863	1.4
191.03383	100.0
201.05399	1.6
205.07062	8.4
225.05573	1.2
243.06505	44.3
257.07565	1.1
285.07483	25.4
285.10101	1.4
303.05365	2.8
309.09604	3.7
313.05331	1.5
321.11646	1.9
327.10913	1.7
447.12900	15.7
465.15048	12.1
465.19629	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	465.152
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23411	0.9
69.03414	1.9
76.09573	0.9
85.02896	9.6
87.04430	1.4
95.48998	1.0
97.02885	2.2
105.19708	1.0
130.04370	1.0
143.08623	1.1
146.42766	1.0
159.11746	1.5
303.04956	68.3
303.09998	2.2
303.23154	1.7
319.06650	1.2
353.83945	1.0
465.15158	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	465.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78472	0.8
56.53263	0.7
57.37015	0.8
66.90070	0.7
70.97513	0.7
79.27855	0.9
80.30198	0.8
84.78990	0.9
85.35395	0.9
90.75952	0.8
116.01483	1.0
123.04399	3.7
124.61763	0.9
128.03082	0.9
131.67151	0.8
225.11000	0.8
227.53549	1.0
266.73364	0.8
274.00046	0.9
311.11432	1.1
399.62851	1.0
465.15671	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	465.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78472	0.8
56.53263	0.7
57.37015	0.8
66.90070	0.7
70.97513	0.7
79.27855	0.9
80.30198	0.8
84.78990	0.9
85.35395	0.9
90.75952	0.8
116.01483	1.0
123.04399	3.7
124.61763	0.9
128.03082	0.9
131.67151	0.8
225.11000	0.8
227.53549	1.0
266.73364	0.8
274.00046	0.9
311.11432	1.1
399.62851	1.0
465.15671	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	465.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14675	0.8
57.03431	1.7
59.92653	0.8
66.27370	0.8
69.03420	4.1
69.07073	1.8
73.02924	1.5
79.05511	2.2
81.03414	5.6
81.07045	1.3
85.02911	19.8
93.07059	1.1
95.04953	2.1
95.08598	1.6
96.08147	1.7
97.02869	4.6
97.58136	0.9
103.03939	6.4
105.03395	100.0
105.07037	1.3
107.08586	1.6
109.02836	1.5
109.28452	1.0
111.04414	1.3
114.09182	7.4
114.27708	0.9
117.07028	1.2
123.04418	10.0
127.03896	4.2
129.06989	1.0
131.04993	3.7
133.10123	1.2
137.05972	19.2
141.06970	1.1
143.04929	1.2
145.06490	1.6
147.11752	1.1
151.07533	1.8
157.06456	0.9
159.11691	1.6
160.05286	1.4
163.07559	6.1
165.05498	2.0
165.09160	1.3
169.06422	1.5
175.07539	26.7
177.09106	2.0
181.08488	1.5
183.08066	1.2
186.06714	0.9
187.07581	3.6
189.09026	1.7
191.06995	3.9
199.07570	1.5
201.09111	4.0
203.06944	1.7
205.08505	6.7
207.06500	2.2
209.08095	5.3
211.07541	1.6
211.52664	0.9
213.09154	1.5
217.08694	1.9
221.08022	1.0
227.06987	1.3
227.18080	1.1
229.08693	1.6
238.66017	1.1
241.08606	4.3
243.10144	1.6
245.08154	1.1
247.09673	1.7
249.07535	3.7
259.09607	1.4
265.10739	5.8
267.08612	13.5
271.09665	3.9
289.10681	16.6
303.23056	3.4
307.11771	5.8
411.14276	1.3
429.15442	5.5
447.16217	0.9
464.83142	7.9
465.27887	1.7
465.33417	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	465.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44450	1.2
53.03944	1.7
67.96263	1.3
69.03404	1.6
69.07065	2.2
71.88190	1.2
79.05485	5.7
81.07021	2.2
83.04958	1.8
91.05470	8.3
93.07037	9.9
95.04944	8.5
95.08617	2.3
105.03393	100.0
105.07008	12.2
107.04948	8.6
107.08567	2.2
109.06518	2.6
119.04939	10.0
119.08567	15.1
121.06499	3.0
121.10125	23.7
125.02442	1.6
131.08566	7.8
133.06485	7.9
133.10112	3.3
137.05974	2.7
143.08569	3.1
147.08037	17.6
149.05994	7.8
149.09634	11.3
155.08551	2.0
157.10118	2.1
159.08047	24.1
159.11700	2.8
161.05960	2.9
161.09596	6.5
163.03885	6.9
165.09145	12.4
166.35596	1.5
167.08493	2.4
169.10144	2.1
171.08084	2.6
173.09607	2.5
177.09135	1.7
179.08554	2.7
181.10078	5.9
183.08006	2.4
183.11655	7.1
185.09607	2.1
187.07478	1.8
193.10141	10.2
194.10930	1.7
195.11612	6.1
197.09604	5.5
197.13261	1.9
199.11166	1.5
205.10149	1.8
206.10941	5.3
207.11659	3.5
208.12445	2.2
209.09644	5.4
209.13246	2.8
211.11217	8.4
213.09088	2.0
215.07022	1.7
218.10973	5.4
219.11658	1.6
220.12427	6.6
220.35355	1.4
222.10327	2.7
223.11241	2.5
223.14816	5.3
227.10725	2.0
233.13252	5.5
235.14799	5.9
236.11969	5.6
237.09200	2.5
237.12755	2.7
239.10712	2.0
239.14127	1.7
246.10413	1.5
251.14336	5.5
253.15868	7.5
261.12793	2.9
263.14365	5.8
266.13205	1.5
271.16879	1.8
279.13757	7.2
281.15359	6.6
285.22101	2.0
287.08987	3.4
297.14880	17.7
299.13239	1.7
299.16327	13.9
303.23068	11.6
307.13330	5.6
315.15985	1.9
325.14310	12.8
343.15369	9.6
465.19058	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	465.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74763	0.4
53.04868	0.4
53.16431	0.4
55.01876	1.3
55.05524	0.7
56.05022	0.7
57.03439	0.6
58.52081	0.5
61.02916	1.2
66.19287	0.5
69.03440	4.1
70.06586	0.8
71.04993	12.0
81.03404	2.3
85.02905	9.3
87.04467	1.1
95.05003	0.6
97.02907	4.5
98.06055	49.9
99.04453	19.4
109.02870	2.7
112.07545	0.8
114.37588	0.5
115.08700	1.2
116.06271	1.0
116.07083	24.3
127.03876	1.1
138.05472	3.7
140.07062	2.7
142.08643	1.3
152.07066	2.5
154.08609	1.0
157.09715	2.1
160.07533	0.6
161.69931	0.6
166.08627	0.5
170.08054	0.9
176.07069	10.2
178.04901	0.7
178.08598	2.7
185.12762	0.7
186.11256	0.7
188.09181	8.7
190.08653	3.4
192.10144	0.7
194.08119	1.2
203.13931	1.2
208.09641	1.2
210.11308	0.6
218.08116	10.7
220.09689	1.3
232.07420	0.6
232.09622	0.6
235.08463	1.3
235.10745	13.5
236.09256	1.3
238.10701	7.5
240.12682	0.6
250.10686	14.1
257.14990	1.2
259.00586	0.6
267.13562	0.5
285.14398	3.1
286.12863	0.8
303.15494	34.1
465.20795	100.0
472.63202	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	465.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50602	1.4
55.25333	1.6
60.16390	1.5
71.60993	1.6
81.07063	6.9
91.05457	2.3
93.07042	3.2
95.04974	2.8
95.08631	3.0
96.52570	1.7
97.06490	2.1
98.75826	1.8
105.03408	2.7
105.07033	10.2
107.08612	2.8
109.06514	44.1
109.10120	2.6
111.08047	2.6
116.56363	1.9
119.08589	8.5
121.06503	3.2
123.08058	3.3
131.08580	2.1
133.06519	2.6
133.10123	25.1
135.08035	3.9
137.05991	24.0
139.07541	7.5
145.06485	100.0
145.10120	7.3
147.08134	6.8
147.11687	2.0
157.10182	3.4
159.11748	8.6
163.07568	20.2
165.09123	14.2
167.91971	1.7
169.10161	3.8
171.11714	4.1
173.13240	9.3
176.30843	1.6
183.10188	6.4
183.11671	8.6
197.13292	4.0
199.14839	3.6
201.12726	14.5
205.08659	9.4
207.11670	3.1
209.73174	1.8
211.14944	1.9
223.14709	2.2
225.12883	1.9
229.12093	2.0
239.17973	11.6
249.16356	2.1
257.18970	6.0
265.10699	15.0
267.17413	15.3
285.18536	16.4
289.14322	7.4
291.40363	1.8
327.19534	14.4
345.20511	6.8
389.18890	1.9
423.62741	2.0
425.74304	1.8
465.24820	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26759	1.5
57.07071	13.1
60.51897	1.7
61.18429	1.6
67.05501	2.7
69.07055	3.1
71.01345	3.7
81.07042	10.2
91.05487	7.4
93.07021	14.1
95.04991	1.9
95.08588	10.9
97.02834	3.0
97.06539	3.1
105.07016	8.5
107.08604	14.7
109.06521	66.6
109.10146	8.6
111.08060	6.9
117.07016	2.7
119.08585	14.1
120.89063	1.6
121.06520	3.5
121.10133	14.2
123.04466	2.7
123.08027	3.9
123.11697	3.0
131.08591	7.1
133.10117	37.3
135.08052	8.7
135.11703	9.6
137.05971	26.7
137.09610	4.2
139.07559	4.1
143.08569	3.0
145.06483	100.0
145.10149	12.9
147.08035	14.9
147.11688	3.2
157.10078	10.0
159.11702	9.1
163.07526	31.1
165.09129	10.5
169.10133	3.1
171.08096	2.4
171.11644	8.7
173.13268	14.5
175.14713	2.4
183.10257	4.0
183.11682	10.6
185.13161	3.5
187.11235	2.7
187.14819	9.9
197.13232	3.3
198.87799	2.0
199.11182	1.9
199.14828	3.8
201.12761	10.1
201.16498	2.8
205.08603	14.8
207.11772	6.1
213.16371	3.4
239.17970	6.7
247.13246	2.7
249.16376	3.5
257.18997	11.6
265.14267	3.0
267.17352	16.2
285.18405	23.3
289.14279	2.2
303.19598	10.7
307.15497	16.1
327.19543	13.1
345.20648	10.0
354.89035	1.7
380.36749	1.9
405.26056	2.0
414.67719	2.2
465.28522	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.321
Annotation	Ponasterone A
Peak:m/z	Relative Intensity
55.05508	2.6
57.03419	1.6
57.07080	13.7
59.72557	1.8
61.52717	2.1
66.82623	1.7
67.05500	7.8
69.07045	8.3
71.08625	9.2
74.63393	1.7
75.80392	1.6
79.05497	8.4
79.46603	1.7
81.07056	72.9
83.08616	2.3
91.05460	3.0
93.07016	13.0
95.08588	11.5
97.06519	3.7
99.08075	8.5
99.31464	1.8
99.60148	2.1
105.07019	4.4
107.08588	15.8
109.06481	2.9
109.10139	33.7
117.07003	2.2
119.08571	7.6
121.06501	3.6
121.10122	9.0
121.85072	1.7
123.08012	4.1
125.98920	1.8
127.11208	2.5
131.08522	9.2
133.10120	4.8
135.08035	3.8
135.11684	11.3
143.08553	7.6
145.06416	3.0
145.10104	13.2
147.08028	4.5
157.10091	10.4
159.08058	3.6
159.11676	11.8
161.09550	3.0
161.13254	4.0
169.10066	2.6
171.08020	4.0
173.09616	25.9
173.13176	2.1
175.11147	3.7
175.14920	2.1
179.14305	4.1
181.15851	4.8
183.11916	2.3
185.13258	3.2
187.11159	12.5
189.09097	2.9
191.10670	12.8
192.95198	1.7
195.11713	3.6
197.13228	2.7
199.11168	3.2
199.14743	2.6
205.12225	3.8
213.12837	3.5
215.14313	2.8
225.12724	4.5
227.14359	2.5
231.13857	4.2
238.74547	2.1
241.15884	2.7
249.14882	10.7
255.10330	2.1
255.17453	2.4
265.15909	7.2
283.16943	4.0
285.18597	7.7
295.20554	3.2
301.17981	7.4
303.05057	3.4
313.21649	4.6
393.27856	4.0
411.28912	15.1
428.39670	1.9
429.30017	29.3
447.30997	39.5
465.32074	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	465.3209
Annotation	2-Deoxyecdysterone
Peak:m/z	Relative Intensity
51.48265	1.9
54.09228	2.1
55.05513	3.5
65.83354	2.8
67.05501	13.0
69.03423	2.7
69.07069	21.0
71.86559	2.7
72.01615	2.4
73.61874	3.0
79.05469	3.4
81.07052	29.9
83.08588	3.7
85.02891	16.6
91.05474	4.1
93.07048	28.5
95.08602	36.7
97.02871	5.8
97.06486	3.9
102.66835	2.8
103.25521	3.0
105.07031	14.4
107.08604	26.3
109.10146	81.8
119.08575	22.9
121.10112	28.1
123.08024	12.1
123.11652	3.4
127.11147	3.1
131.08542	9.6
133.10141	17.6
135.08047	3.6
135.11697	11.7
137.05966	3.4
141.06937	2.6
143.08540	5.4
143.17192	2.7
145.10147	21.0
146.25221	2.7
147.08035	3.1
147.11681	16.0
147.59940	2.8
149.13281	13.5
153.23499	2.8
153.26385	3.0
155.08432	3.5
157.10110	12.4
159.11633	22.5
161.09708	3.4
161.13237	19.3
163.14748	3.2
169.10156	6.0
171.11652	5.2
173.09589	16.0
173.13216	13.7
175.11147	5.6
179.14311	5.9
183.11710	3.9
185.13303	4.5
187.11183	6.1
187.14825	5.3
188.06407	2.9
189.12888	3.1
191.10646	9.7
195.11609	2.9
197.13245	16.1
199.14821	4.2
201.16313	2.6
203.14301	2.8
205.12251	4.1
213.12785	2.6
215.14291	31.4
227.17905	4.6
229.15848	5.6
231.13838	5.4
233.15317	10.5
267.21085	6.2
285.19183	4.6
285.22067	38.2
303.04932	42.3
303.23163	20.9
341.17014	3.0
373.23697	3.1
393.28033	4.1
411.28839	31.3
429.30014	100.0
447.31021	48.4
465.27432	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	465.3211
Annotation	Kitigenin
Peak:m/z	Relative Intensity
58.52434	0.6
61.80960	0.7
69.07066	1.3
71.05005	1.3
71.89812	0.7
74.72955	0.7
74.78717	0.7
75.82948	0.6
79.05482	2.6
81.07059	26.1
83.08604	0.8
91.05458	1.3
93.07036	4.1
95.08604	8.2
97.10160	2.8
99.08096	11.2
103.38925	0.7
105.07008	3.6
107.08594	12.4
109.10146	5.0
111.08050	0.7
119.08574	3.3
121.06493	3.8
121.10159	1.1
123.11710	0.8
125.09631	14.0
127.11188	1.3
131.08566	4.6
133.10138	2.9
135.08049	1.6
135.11705	2.9
141.06889	0.7
142.25873	0.7
143.08582	2.8
143.10660	4.0
145.06451	1.4
145.10123	4.1
147.08025	2.8
147.11685	3.8
157.10110	3.0
159.11661	2.9
161.09573	2.8
171.08015	1.2
173.09644	6.7
173.13200	0.8
175.11139	1.4
183.11705	1.5
187.11069	1.0
187.14806	0.9
189.09120	3.2
191.10628	7.5
201.90648	0.9
209.11697	4.8
227.14363	4.5
229.15910	3.7
239.18054	1.2
243.17418	3.0
249.16373	1.1
267.17273	5.9
285.18518	7.9
298.05490	0.7
301.07068	4.0
302.07440	4.1
302.63510	0.7
303.07657	7.6
303.19534	7.1
331.22696	0.9
411.29099	1.4
429.29874	1.1
465.32111	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	465.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
57.07080	1.6
58.72604	1.3
59.58835	1.3
61.02946	2.1
67.05505	8.2
69.03438	8.4
69.07066	14.3
72.08138	11.2
81.03411	2.2
81.07053	15.3
83.08642	2.1
85.02898	25.0
87.47162	1.5
89.10804	9.4
91.03992	1.4
91.05515	1.6
93.07060	9.8
95.04967	2.0
95.08595	15.3
97.02908	8.3
97.06558	2.2
99.08098	1.8
105.07048	5.8
107.08614	10.5
109.06519	2.0
109.10148	42.0
109.10828	2.3
115.58182	1.9
117.07015	2.5
119.08598	7.9
121.10147	7.5
123.11716	2.4
125.09648	6.5
127.03921	3.3
127.11210	2.8
131.08594	7.6
133.10153	9.9
135.11707	6.7
137.05960	3.2
143.08600	2.8
145.05029	2.5
145.10143	9.6
147.11711	6.3
149.13257	3.1
155.08504	2.5
157.10139	8.9
159.11662	15.2
161.09576	2.8
161.13278	3.2
163.14938	1.7
169.10167	3.3
171.11684	3.0
173.09605	1.9
173.13313	2.7
177.12859	2.1
183.11839	2.3
185.13301	1.8
187.14812	2.6
189.09064	2.2
189.16380	2.4
195.11624	1.9
197.13426	6.2
199.14899	2.5
201.12917	2.5
211.14899	3.4
215.18031	3.4
221.36449	1.6
227.18137	2.4
241.19559	2.2
267.21103	2.7
285.18753	2.9
285.22217	14.9
301.18228	1.7
301.21686	1.6
303.04950	100.0
303.19873	3.0
303.23349	17.7
341.26703	2.0
356.40457	1.6
429.30344	7.3
465.32437	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.49855	0.7
54.01291	0.7
57.03434	1.0
59.04975	0.7
61.01567	0.9
67.05505	1.6
69.03436	2.1
69.07059	5.2
71.04990	1.7
79.05490	3.7
81.07064	30.9
85.02914	5.0
91.05480	1.9
93.07031	6.4
95.08617	13.1
97.02888	1.3
97.06538	1.1
97.10144	1.5
99.08094	13.8
105.07034	7.1
107.08602	18.0
109.02863	0.9
109.06530	1.3
109.10157	4.4
119.08600	4.4
121.06513	4.3
121.10149	2.0
123.08090	1.2
123.11714	1.8
125.09638	15.3
127.11143	2.9
129.07095	1.0
131.08568	4.7
133.10126	6.0
135.08031	1.8
135.11745	2.2
137.05977	3.6
142.54236	0.8
143.08571	4.1
143.10706	5.1
145.10147	5.5
147.08052	3.7
147.11678	7.1
149.13251	1.7
151.07567	1.0
155.08649	1.2
157.10117	4.5
159.08171	1.6
159.11723	5.3
161.09677	2.0
161.13275	1.3
169.10147	1.6
171.11703	1.6
173.09625	8.6
173.13170	1.0
175.11203	1.5
175.14864	1.1
181.10092	1.3
183.11638	3.0
185.13297	1.5
187.11172	1.5
189.09152	5.2
191.10670	13.3
197.13278	1.6
203.14281	1.0
209.11781	4.9
211.14890	1.1
222.93163	1.0
225.16347	1.4
227.14365	6.7
229.15804	3.3
239.17950	3.6
243.17419	2.1
254.96266	0.9
267.17545	4.9
285.07712	1.8
285.18530	9.2
285.21945	1.9
302.18643	1.0
303.04996	35.4
303.08377	1.6
303.19614	6.1
303.23126	1.8
411.29034	4.0
465.32187	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	465.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03399	0.8
67.05493	4.2
69.03420	2.9
69.07063	2.4
71.04995	1.1
79.05498	2.8
81.03410	1.1
81.07058	7.8
83.08581	1.1
85.02889	4.0
85.06520	1.4
87.04452	1.0
91.05479	1.1
93.07037	4.6
95.08593	8.1
97.02869	1.2
97.06516	0.7
97.10150	3.5
99.04394	0.7
99.08101	6.1
105.07026	3.2
107.08588	12.0
109.06520	0.9
109.10152	5.8
119.08559	3.0
121.06476	3.7
121.10117	1.3
125.09599	3.2
127.07551	5.4
131.08537	2.7
133.10077	2.5
135.08049	3.0
135.11664	0.9
138.51382	0.6
139.07512	0.8
143.08514	1.2
145.10088	5.2
147.08018	1.0
147.11655	4.7
152.05653	0.9
155.08540	0.7
157.10097	4.2
159.07994	1.1
159.11697	6.9
161.09590	1.2
161.13161	0.8
169.10135	4.2
171.07921	0.7
172.08835	3.7
173.09596	7.0
173.13249	1.2
175.14726	0.9
181.10007	0.8
185.09604	100.0
187.11159	14.6
187.14758	0.8
189.09079	3.0
191.10686	6.6
197.09554	2.5
197.13260	1.0
199.11211	0.9
201.12769	0.9
201.16400	0.7
209.11626	2.6
209.13344	0.9
211.14793	2.6
215.10693	5.9
215.49867	0.6
221.13206	1.2
227.14268	4.2
229.15825	1.5
239.14188	3.5
243.17450	1.1
249.16541	0.9
257.15323	12.3
267.17126	0.8
285.15164	1.2
285.18466	7.5
285.21387	1.0
301.17853	0.9
303.04965	9.2
303.15869	24.0
303.19479	5.4
411.28867	3.2
465.21329	56.0
465.31995	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57781	0.5
55.03682	0.5
55.05507	2.9
57.07066	2.9
58.21819	0.5
61.25117	0.5
63.40956	0.5
64.94179	0.5
67.05482	1.1
69.07055	4.4
71.08626	1.1
79.05511	0.7
81.07059	5.9
81.10793	0.6
83.08618	5.1
83.84281	0.6
85.44457	0.6
86.19279	0.6
93.07018	1.5
95.08611	5.6
97.06517	6.9
97.10162	3.4
98.39838	0.6
105.07056	0.9
107.08585	1.2
109.06554	0.8
109.10167	5.2
113.05990	1.0
119.08566	1.4
121.10127	2.8
123.11690	1.3
125.05986	100.0
135.11650	0.9
137.13231	0.8
141.05443	0.7
147.11656	1.4
149.13219	0.8
155.45616	0.8
159.11638	0.9
161.13171	0.7
171.06496	8.9
176.45181	0.8
176.53235	0.7
195.09868	0.7
215.10745	0.8
217.19539	0.6
225.11214	4.7
231.20741	0.6
239.12833	1.1
263.27393	2.6
287.27524	0.9
303.04938	3.4
305.28296	0.8
321.20557	0.9
385.29288	0.8
429.33945	0.8
447.34683	4.5
465.35754	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	465.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39436	2.6
55.05508	3.5
57.07093	3.2
61.02719	2.3
64.43455	2.4
67.05502	4.1
69.07074	17.1
81.07050	5.8
83.08619	14.5
83.50230	2.8
95.08577	11.5
97.10165	17.0
107.08625	3.8
109.10159	15.0
111.11721	4.1
119.08598	4.8
121.10152	5.3
122.64002	2.7
125.35060	2.7
135.11690	3.4
137.09619	12.0
139.07555	34.6
143.83380	3.3
151.11147	4.7
153.09074	3.7
159.11603	2.8
161.13277	4.9
165.09087	35.2
175.14722	2.6
179.14307	5.6
187.88861	2.5
193.12296	3.2
193.15959	3.0
207.13739	2.7
288.41296	2.4
303.04959	2.8
390.34576	2.8
401.37881	3.5
419.38660	3.3
447.38004	4.6
465.33212	3.4
465.39407	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	465.3944
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05510	21.3
57.07072	17.3
64.75151	3.0
67.05503	13.0
69.07067	56.4
70.92579	2.7
71.08623	4.9
72.75641	3.1
81.07074	33.0
83.08614	41.3
93.07037	16.8
95.08611	49.8
97.10148	23.4
100.86993	2.9
101.56063	3.2
105.07014	4.2
107.08591	19.1
109.10149	30.2
109.72945	3.0
111.08083	13.4
111.11707	4.7
119.08558	16.2
121.10155	27.4
123.08070	44.1
123.11707	16.1
133.10112	12.7
133.89920	3.1
135.08070	6.8
135.11699	19.8
137.09624	42.7
137.13228	3.8
139.07542	19.0
147.11652	14.1
149.09622	17.4
149.13348	4.0
153.09087	31.6
159.11716	12.3
161.09596	4.6
161.13271	6.4
163.11140	7.4
165.09125	62.2
165.12762	4.2
173.13264	7.7
175.11206	6.6
179.14337	5.0
187.14900	3.4
189.12753	4.9
191.14371	3.8
196.26512	3.0
263.23889	3.7
277.53217	3.5
385.34641	13.9
403.35596	33.3
421.36584	28.9
429.37531	28.4
447.38254	70.7
465.39310	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	466.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61748	0.9
53.03952	1.8
69.03423	8.0
70.39233	0.9
78.03440	4.9
80.05045	1.4
81.03424	16.0
85.02901	8.9
90.02667	1.1
91.05504	1.1
97.02879	4.8
99.04434	1.1
106.02186	1.4
106.02910	54.5
109.02863	10.3
124.03941	100.0
127.03905	5.3
127.51890	1.2
131.04900	1.1
137.05966	38.9
140.14990	1.0
145.34833	1.2
151.07591	1.4
160.60745	1.1
166.05034	1.4
226.07101	1.8
232.06058	2.2
250.07071	10.8
268.08136	39.2
339.56793	1.1
411.63837	1.1
448.15894	2.1
466.17114	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	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85466	0.9
69.03429	9.9
71.04977	0.8
76.95412	0.8
78.03455	6.9
78.68301	0.8
80.04982	1.0
80.67520	0.8
81.03428	11.3
84.82471	0.8
85.02914	7.8
85.95036	0.9
97.02873	4.1
99.04443	1.6
106.02916	62.6
109.02868	13.5
124.03950	88.4
127.03904	4.8
137.05978	100.0
151.07530	0.9
163.07552	1.1
250.07086	10.3
268.08145	37.9
296.74582	1.0
448.15826	1.2
449.16489	1.7
466.17047	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71439	0.5
53.52788	0.7
62.30783	0.6
69.03430	12.7
78.03461	7.6
81.03407	1.4
85.07574	0.7
85.96466	0.6
96.04472	0.9
97.02899	5.2
99.04448	3.2
101.38684	0.6
106.02916	100.0
109.02874	14.3
124.03949	66.4
127.03918	8.5
137.05975	16.1
190.05028	1.3
202.05055	1.0
232.06006	4.9
250.07051	3.6
268.08136	32.0
303.04858	1.1
304.05301	2.5
448.90787	0.6
466.17062	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	466.1861
Annotation	CHEBI:88219
Peak:m/z	Relative Intensity
54.49519	0.9
66.38491	1.0
69.03407	1.0
72.19087	1.0
72.94554	0.9
79.05491	1.7
105.07027	1.6
106.02895	5.9
107.04956	22.8
108.63284	1.1
111.00825	7.1
119.50115	1.0
123.04421	100.0
124.03922	8.4
131.04926	6.3
134.09618	16.3
135.04398	5.9
139.03899	23.1
147.04420	15.3
149.05971	6.1
151.03857	2.3
152.26602	0.9
163.03870	3.8
163.07507	5.8
165.01805	1.1
173.10266	1.0
189.05469	1.9
194.11772	27.5
227.06979	8.1
268.08200	2.5
269.08093	5.5
273.07553	41.5
319.14429	1.3
325.00439	1.1
466.18536	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99139	0.8
57.03442	14.2
58.60755	0.8
61.02927	4.9
64.47440	0.7
69.03423	10.0
73.02501	1.3
73.02913	33.8
81.03426	1.8
85.02908	20.9
87.04434	1.5
91.05483	4.5
97.02887	32.5
109.02893	1.4
109.52068	0.9
115.03926	16.8
119.04987	1.2
127.03917	7.4
133.04982	5.1
133.06386	0.9
137.05971	100.0
139.03886	1.1
145.04936	3.8
149.05978	5.8
151.07550	4.8
155.07042	9.5
161.05972	3.7
163.05986	1.2
165.05493	1.4
167.07002	7.6
175.07475	1.0
178.43768	0.8
179.07037	10.5
191.07068	2.1
197.07977	1.2
202.71994	0.9
203.07066	4.2
205.08620	1.0
216.11319	1.7
221.08127	4.1
223.07600	2.2
233.08060	5.7
235.43832	1.2
242.25896	0.9
251.09117	8.5
252.70381	0.9
258.91162	0.8
259.08090	3.5
263.09158	4.8
268.09659	1.8
281.10086	4.6
287.11206	4.8
295.10205	11.0
299.11148	1.9
317.12314	8.6
345.24432	1.0
363.16559	1.8
383.53372	1.1
412.68121	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03434	1.6
61.02929	3.1
69.03431	6.4
73.02914	15.4
79.05499	3.1
80.95212	0.7
81.07051	100.0
85.02905	26.7
88.90237	0.7
95.08604	7.2
97.02870	15.4
97.03396	0.7
99.04488	0.7
103.03934	0.8
109.02886	2.7
115.03924	8.4
127.03867	8.6
133.04965	8.6
137.13235	31.0
137.98145	0.7
145.04964	10.2
147.11732	0.7
163.05994	6.0
223.06097	1.1
236.04112	0.7
241.07111	0.9
259.08154	9.3
263.50403	0.8
295.10184	17.0
295.13229	1.0
317.19586	6.7
330.13934	1.2
342.64175	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
57.07070	1.3
61.02918	1.6
63.87072	0.8
67.05504	1.6
69.03413	6.5
69.07051	4.4
72.02605	0.9
73.02921	9.2
74.56375	0.8
78.42607	0.9
79.05504	6.6
81.03395	1.1
81.07060	100.0
85.02910	20.2
87.04480	1.1
91.05472	4.5
95.08602	14.9
97.02895	13.5
103.03944	1.0
107.08589	1.1
107.14948	1.0
109.02824	1.5
109.10142	1.9
115.03914	7.1
122.42641	0.9
127.03912	7.7
133.04959	8.6
137.05949	1.3
137.13252	19.4
139.15668	1.1
144.30977	0.9
145.04971	5.4
163.05928	3.2
180.34291	1.0
259.08069	5.3
277.09003	1.4
295.10242	6.2
426.77850	1.0
466.32693	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	467.1186
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
51.97028	1.0
54.06141	1.4
66.43253	1.2
69.03422	1.9
74.86391	1.2
79.35044	1.5
81.03395	1.8
85.02890	5.1
97.02901	2.1
107.04981	2.2
111.04474	1.8
115.11125	1.2
118.07213	1.3
123.04419	50.0
127.03861	1.9
135.04391	1.5
137.05951	2.3
139.03903	7.6
147.04359	5.8
149.02330	74.1
150.03157	2.2
151.03894	5.1
153.01820	92.6
161.02328	6.7
165.01831	1.6
167.03372	16.7
179.03365	2.1
190.31273	1.2
195.02908	22.3
213.05521	2.7
231.06512	68.9
241.04936	9.0
258.05225	1.4
259.05936	49.9
259.08469	2.2
287.05554	23.1
303.04889	1.7
305.06540	100.0
347.07755	1.5
467.18973	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	467.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38893	0.9
58.25343	1.0
67.32993	1.0
83.94135	1.0
101.00875	2.2
119.01904	7.7
136.86252	1.1
145.03450	2.0
167.01976	1.2
169.03450	41.8
169.04808	2.3
171.05042	1.7
185.02899	9.1
187.04509	37.6
195.04993	2.3
197.02946	7.7
205.05614	2.8
211.04514	2.7
213.02487	1.4
213.06136	2.0
215.03996	8.2
223.04471	2.0
229.05527	34.7
239.04001	1.4
247.06622	11.5
255.07164	2.0
257.05124	4.5
275.06097	100.0
283.06619	6.3
293.07135	9.0
301.07645	24.7
303.05652	10.0
311.05988	2.2
329.07132	11.0
332.22833	1.1
341.07156	1.3
347.08124	4.4
389.09314	8.2
407.10306	35.9
416.35751	1.4
425.11328	12.9
467.12546	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	467.1547
Annotation	Curculigoside
Peak:m/z	Relative Intensity
55.48337	0.4
61.02925	0.6
61.52940	0.5
65.71127	0.5
69.03414	2.7
70.90147	0.5
81.03407	1.1
85.02905	8.7
85.63139	0.5
87.97671	0.6
89.00727	0.5
91.03916	0.5
97.02881	3.4
99.04434	0.8
106.02868	0.7
107.04929	0.8
108.05234	0.5
109.02866	1.2
109.10099	0.5
109.99238	0.4
115.80016	0.5
119.04921	2.7
120.16666	0.5
123.04415	35.2
124.03958	0.6
124.04740	0.6
125.05981	2.2
127.03910	1.8
137.05943	2.2
139.03996	0.5
141.05455	0.9
145.04868	0.6
147.04401	19.8
147.11705	0.5
153.05458	100.0
161.06029	1.0
163.03702	0.6
165.05458	18.6
165.06770	1.0
179.07039	0.6
183.06554	3.4
186.57758	0.6
194.11757	0.6
196.88976	0.5
207.51175	0.6
249.46307	0.6
287.09079	4.7
303.04932	7.6
304.05353	5.9
305.05539	15.9
305.10205	25.7
363.62396	0.6
449.14481	1.1
467.19141	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	467.1558
Annotation	Curculigoside
Peak:m/z	Relative Intensity
55.01869	0.6
65.03930	0.8
65.05796	0.7
69.03427	1.4
81.03413	1.3
85.02903	7.8
97.02878	2.7
99.04456	0.7
99.67216	0.6
119.04937	3.5
123.04420	39.1
137.05988	1.5
141.05475	1.2
147.04401	26.2
153.05458	100.0
161.05943	1.3
163.03860	0.7
165.05455	22.5
175.28728	0.7
179.07054	1.3
183.06505	4.4
195.06496	1.1
207.06554	1.6
210.30338	0.6
232.44957	0.7
287.09222	1.2
303.04919	2.6
304.05368	1.4
305.05670	5.0
305.10172	47.8
435.19644	0.7
437.77289	0.6
467.15347	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	467.1889
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
51.66813	0.4
55.26820	0.6
61.08271	0.5
67.80514	0.6
82.38010	0.5
106.02895	0.6
110.20947	0.6
115.70899	0.6
132.06232	0.5
138.79185	0.5
141.28403	0.5
183.88905	0.5
185.66701	0.6
285.85303	0.6
287.12473	3.6
305.13406	0.8
323.13458	1.0
338.70779	0.5
449.17789	3.6
467.18869	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	467.2064
Annotation	Brevione H
Peak:m/z	Relative Intensity
53.03944	1.3
67.05502	1.3
67.15331	0.6
69.03410	1.0
75.25945	0.7
77.03925	0.9
79.05479	1.1
81.07076	1.3
82.69842	0.6
83.29652	0.6
91.05468	1.2
92.18599	1.5
93.07065	6.0
95.04967	8.9
95.08603	6.3
97.06534	0.9
101.71390	0.6
101.72088	0.8
105.03394	100.0
105.04530	3.0
105.07010	5.3
107.08609	3.0
109.06512	2.7
119.04957	1.1
119.08591	2.6
121.06515	3.7
121.10143	1.6
123.08040	5.4
127.80340	0.7
131.08539	1.7
133.06508	4.0
133.10133	1.4
135.08049	2.8
137.05971	2.6
137.09654	0.8
143.08560	1.6
147.08034	3.0
149.05934	1.1
149.09607	2.9
151.07550	3.1
157.10069	0.9
159.08066	1.3
161.06013	1.2
161.09576	1.3
163.11179	5.1
165.09140	2.7
169.10132	1.1
171.11581	0.7
173.09552	1.0
177.09053	2.9
179.10640	1.1
187.11110	0.9
193.08595	1.0
195.11691	1.3
197.09619	0.8
197.13252	1.5
199.11198	1.1
201.09070	0.7
201.12796	0.8
202.56195	0.8
203.07092	0.7
205.08411	0.7
206.10982	1.1
207.10123	1.6
209.09631	0.9
211.11313	0.9
213.12508	0.7
225.12845	0.7
227.10663	0.8
229.12309	1.0
235.09698	0.7
239.10765	0.8
239.14249	1.2
241.12135	1.2
255.13914	0.8
259.13348	0.9
267.13644	1.0
271.16989	0.9
281.15295	1.2
285.14859	4.3
291.97498	0.7
299.16394	3.9
303.15854	1.0
309.14935	1.0
317.17294	0.8
327.15875	6.9
345.16956	12.1
449.19601	1.3
467.20651	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2066
Annotation	Brevione H
Peak:m/z	Relative Intensity
53.03960	0.8
63.82362	0.9
65.05767	0.7
70.29453	0.6
82.66853	0.7
93.07029	1.0
95.04967	5.8
95.08660	1.0
105.03396	100.0
105.04533	3.7
119.08637	1.3
121.10175	1.0
123.08056	4.8
129.06964	1.0
134.71690	0.7
139.07529	0.7
141.73544	0.8
143.08556	1.3
145.10066	1.7
147.08012	1.8
157.10179	1.0
159.08037	1.1
159.11646	0.9
163.08836	0.7
163.11165	15.9
173.09648	1.3
175.07526	1.3
176.80382	0.8
183.11668	1.0
187.11197	4.4
191.10722	3.4
195.11725	1.3
196.12372	0.8
197.13249	1.1
207.11789	1.1
211.11276	1.0
213.12704	1.5
215.14362	1.1
224.11984	1.1
225.12755	1.5
239.14310	1.1
241.12305	1.6
249.12794	1.4
257.15323	1.1
267.13837	1.6
285.14789	7.7
345.17044	5.7
375.89627	0.8
377.17535	1.4
407.18665	6.5
435.09244	0.9
467.20651	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14593	3.8
67.05505	11.6
67.54336	4.3
69.03426	7.8
69.07073	7.7
70.11323	3.9
79.05470	5.4
81.07050	30.5
85.02899	8.0
91.05466	9.3
91.44336	4.8
93.07026	18.5
95.04959	10.3
95.08586	20.7
97.02900	6.0
97.06517	4.7
105.07034	11.0
107.08598	28.8
109.06492	18.9
109.10155	33.0
119.08596	19.1
121.06503	23.5
121.10175	7.8
123.08067	19.4
125.09647	5.1
131.08565	11.8
133.06516	8.4
133.10115	6.5
135.08044	8.5
137.05945	10.1
137.09633	34.6
143.08565	29.3
145.10150	9.1
147.11682	5.7
149.05994	7.8
149.09663	19.6
155.08546	8.3
157.10123	24.7
159.08073	11.6
159.11719	9.5
161.00131	4.6
161.05922	5.4
161.09619	21.2
163.11162	7.0
167.08537	5.0
169.10138	10.1
171.08072	7.7
171.11700	22.3
173.09691	21.8
173.13304	4.7
177.09021	5.8
179.06950	7.5
181.10172	18.5
183.11694	7.3
185.13225	7.1
187.11201	5.3
193.10132	10.7
195.11707	18.4
197.09608	11.2
199.11180	11.3
199.14931	4.6
201.12704	8.6
207.11865	5.4
208.12527	4.9
209.13237	19.6
211.11186	9.4
213.09073	4.8
213.12717	18.4
214.82307	5.0
223.11180	5.3
223.14801	18.4
227.14072	5.3
229.12170	5.0
239.14377	7.7
241.15820	7.9
250.13570	6.7
265.15771	10.5
279.13022	5.5
283.16986	19.5
285.14386	5.3
287.16357	31.1
293.15234	18.9
301.17957	7.0
311.16428	46.1
329.17526	30.7
347.18439	52.7
389.19302	14.5
467.23828	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	467.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06398	5.3
55.40004	5.7
60.62584	4.7
67.05504	6.5
69.03413	9.5
69.07040	10.3
73.49098	5.5
81.07067	8.4
83.04976	9.5
86.12125	5.5
91.05473	8.5
93.07025	35.0
95.04957	11.1
95.08581	11.5
97.02857	8.5
97.06506	8.9
105.03391	10.5
105.07027	62.3
107.04958	6.7
107.08578	36.2
109.06525	12.2
109.10132	15.1
110.03046	6.7
111.55453	5.7
117.07021	10.2
119.08553	37.9
121.06501	31.7
121.10155	26.6
122.07125	6.5
123.04379	10.4
123.08077	12.0
133.06528	43.1
133.10126	38.9
135.08095	11.8
137.05992	11.3
137.09602	36.6
143.08553	13.8
145.10098	35.6
145.75717	6.0
147.08015	27.1
149.06015	25.8
149.09584	31.0
151.07487	8.6
151.11179	14.7
153.05540	9.9
153.06874	8.1
155.08524	10.4
157.10138	27.1
158.67746	7.0
159.08032	14.4
159.11571	6.0
161.09624	36.1
163.11154	11.2
165.42081	6.9
169.10109	13.8
171.11752	11.2
173.09668	24.5
173.13345	5.9
175.07584	8.7
175.11160	9.1
179.10667	9.0
181.10080	14.6
183.11716	12.9
185.09659	21.3
192.09154	8.9
193.10199	6.8
193.29576	6.4
195.11713	33.5
197.09550	9.2
199.11095	11.5
207.11787	10.5
208.12424	6.7
209.09508	8.7
209.13193	10.7
211.11206	10.4
213.12704	24.5
223.11140	26.9
223.14641	9.8
225.12744	10.7
237.16444	8.7
239.14355	9.4
241.12256	22.9
247.14740	6.3
265.15887	27.1
267.13721	11.8
273.18561	7.2
283.16882	32.9
288.16733	6.6
293.15396	27.0
301.17828	10.9
311.16388	75.7
329.17441	100.0
347.18634	37.1
371.18481	24.3
389.19595	38.8
407.20636	41.7
467.22800	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25884	5.7
53.26479	6.5
54.36695	6.2
59.56990	6.4
65.43051	7.7
65.62305	7.1
67.09785	7.3
74.78447	7.3
76.70358	7.5
79.05494	7.6
81.49728	8.4
83.08647	8.3
91.05441	10.6
93.07043	39.6
105.07008	49.5
121.06486	37.1
123.08098	13.1
133.06477	40.6
133.10126	42.0
135.08057	14.7
137.09567	8.4
143.08495	10.5
145.10162	11.2
147.07997	10.6
147.11629	9.8
149.06042	18.8
151.07530	10.1
155.08533	35.2
157.10098	16.4
159.08006	11.6
161.09601	38.2
163.11295	9.8
165.05321	8.6
168.09306	9.1
169.10120	33.2
181.10135	17.4
185.09624	19.5
187.11063	10.8
195.08186	9.7
195.11711	41.1
197.09608	17.4
197.13257	49.3
199.11137	11.6
207.11734	18.1
209.09726	15.9
209.13159	13.6
210.10530	13.5
211.07504	35.6
211.11140	35.4
211.14815	8.6
213.12744	12.4
223.11237	13.8
225.12631	62.4
226.13524	10.2
227.10626	12.1
229.08481	10.1
229.12256	14.9
235.11203	19.3
243.13899	12.6
247.14745	8.3
253.12181	58.0
265.15863	10.8
271.13214	100.0
283.16986	18.4
285.14871	37.0
287.16382	9.1
289.14468	17.1
293.15500	12.0
311.16418	41.1
329.17432	77.7
331.15463	12.1
345.16891	46.9
371.18723	10.2
389.19644	56.3
411.35089	8.7
449.21793	10.0
461.04071	7.1
467.22495	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28204	4.9
53.72424	4.2
59.04991	6.8
59.26757	4.0
63.74522	4.0
67.05489	7.7
71.01340	4.5
75.22514	4.1
77.91744	5.0
85.85213	4.1
91.05476	9.3
93.07056	38.0
95.04962	8.5
95.08607	19.5
105.07005	34.4
107.04990	5.5
107.08530	7.7
109.06494	7.9
119.08553	9.9
121.06504	43.1
121.10127	9.7
123.08054	18.9
124.03951	5.2
126.37817	5.2
129.06982	5.9
131.08566	9.0
133.06456	35.3
133.10141	59.2
134.62952	4.1
135.08073	4.9
135.11713	9.0
137.05968	9.8
139.07590	6.7
143.08516	25.3
145.10101	38.4
147.07997	8.5
147.11707	6.7
149.06006	33.3
149.09634	7.6
151.07556	8.5
151.11223	5.3
155.08536	25.6
157.10120	22.8
159.07973	16.7
161.09616	37.9
163.11166	9.8
167.08487	5.6
169.10101	21.6
171.08044	4.7
171.11649	24.9
173.09612	9.0
179.08488	5.9
181.10091	26.9
182.10934	6.1
183.08096	10.9
183.11699	28.4
185.09680	5.2
189.12784	7.3
192.09317	20.3
193.10112	10.7
195.06494	7.0
195.11687	25.7
196.08884	9.9
197.09647	10.4
197.13235	33.0
199.11201	33.1
207.11667	41.7
209.09642	19.5
209.13290	6.9
210.10371	20.4
211.11082	39.8
223.11172	8.6
225.12750	67.3
227.10651	9.6
235.11169	29.0
236.12000	5.8
237.16434	5.5
243.13831	5.9
247.14549	6.0
251.14279	7.5
253.12215	100.0
255.17451	7.0
265.15872	22.0
265.52219	4.6
267.13785	21.9
269.15256	7.0
271.13229	89.4
283.16995	19.3
293.15399	8.7
311.16409	40.7
311.19620	5.0
329.17462	60.7
331.15302	29.6
347.18198	8.9
371.18503	30.1
389.19565	25.7
398.31897	4.9
467.19025	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66372	11.9
64.26903	15.5
78.91310	14.4
92.18524	17.2
93.07031	27.6
95.08602	21.4
105.07001	35.5
107.04951	16.7
121.06526	19.6
121.10178	17.9
129.11513	15.4
133.10144	33.1
135.11665	17.8
145.10054	15.5
149.05972	22.5
151.03905	26.8
161.09581	27.2
163.11151	20.1
171.11668	29.3
173.09689	15.8
181.10075	23.9
195.11629	22.7
197.13226	35.7
198.57864	15.7
199.11143	19.9
207.11588	19.0
225.12730	59.9
235.11232	23.3
253.12233	85.8
265.15820	25.3
267.13831	18.6
271.13284	100.0
293.15085	19.6
311.16467	27.3
315.04953	75.0
329.17401	37.1
331.08325	15.3
389.19849	26.5
467.09567	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2276
Annotation	Milolide B
Peak:m/z	Relative Intensity
69.03422	8.9
80.44692	5.8
81.07049	13.2
83.05000	10.6
85.02921	9.0
93.07026	32.2
95.04408	6.2
95.04968	9.3
95.08590	7.2
97.71954	6.0
105.07020	40.0
107.08602	24.8
109.10155	23.7
119.04903	9.3
119.08566	36.5
121.06505	8.6
121.10141	89.3
125.05955	8.0
128.06270	6.9
131.08549	12.8
133.06483	12.0
133.10135	14.8
135.04405	9.1
135.08022	10.4
137.05975	35.0
137.09618	15.0
145.06491	11.4
145.10112	41.9
147.08076	27.8
147.11668	13.7
149.05975	40.9
149.09566	33.0
151.07529	11.4
151.11172	15.1
155.08463	7.5
157.10088	8.2
161.05951	9.4
161.09604	11.1
163.03926	9.1
163.11159	8.8
171.08080	7.8
171.11699	8.0
177.05392	7.6
179.10722	12.4
180.10397	7.5
183.11766	7.9
187.11026	7.1
189.09041	8.4
189.12740	9.1
191.06964	10.0
193.10101	8.2
195.11725	6.9
196.39212	7.2
197.09515	7.6
197.13214	8.1
199.11084	6.5
207.11671	13.4
223.11169	6.7
225.12762	7.9
239.25066	6.4
253.12161	9.4
265.15854	13.8
283.02527	7.3
283.16864	7.8
293.15283	24.1
302.85022	6.4
305.05469	7.6
311.16388	41.4
315.05011	10.4
329.17447	33.1
345.14465	100.0
348.03601	6.5
371.18533	11.9
389.19528	24.9
407.20718	36.6
425.21545	91.9
426.00519	8.4
459.34311	6.3
467.22977	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	467.2403
Annotation	Salpichrolide G
Peak:m/z	Relative Intensity
60.53067	1.5
66.23388	1.6
81.07043	2.0
83.01075	2.1
83.76762	1.8
91.05488	1.9
93.07033	4.1
95.08578	2.2
105.07015	2.2
109.10102	2.2
119.08526	2.3
129.06982	1.9
131.08522	2.1
133.10080	2.3
143.08455	2.1
145.10098	1.8
155.08585	2.3
163.60612	2.0
171.11574	3.5
185.13260	1.6
191.13916	2.1
223.14803	2.3
347.19888	4.3
365.21021	2.0
467.23981	100.0
467.31131	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	467.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
59.92646	0.6
67.05503	0.7
68.20281	0.5
69.07058	3.2
69.74008	0.6
79.05506	0.6
81.07049	1.5
82.11822	0.5
83.08607	1.4
92.17895	0.6
92.49459	0.6
94.67619	0.6
95.08602	2.6
97.10172	1.3
98.27091	0.7
107.08654	0.6
109.10170	1.1
118.34886	0.6
123.04417	0.6
123.11681	0.6
133.02844	24.2
133.10098	0.9
135.11647	1.0
151.03841	4.6
161.02324	11.0
179.03386	100.0
217.12041	0.7
217.19421	1.1
235.20551	2.4
249.92560	0.7
253.21585	3.8
271.22699	1.2
449.25604	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71609	2.0
53.34525	2.0
59.06120	3.6
61.63026	2.4
63.83743	2.0
65.50851	2.4
88.01955	2.6
93.06985	3.1
95.08601	3.3
112.55889	2.4
125.64240	2.5
144.28511	2.5
160.57980	2.3
199.04102	2.6
247.06670	2.5
394.71616	3.0
407.25491	20.2
467.27625	100.0
467.34052	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	467.316
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
57.07067	1.4
69.07066	1.5
78.35647	0.9
79.05445	0.8
81.07055	2.0
83.08632	0.8
84.25269	0.9
85.10184	0.8
91.05453	0.9
93.07023	3.7
95.08590	8.9
105.07036	7.6
105.38332	1.0
107.04953	5.6
107.08572	3.8
109.10152	5.7
117.07011	1.4
119.08567	10.0
121.06499	6.0
121.10162	1.1
129.90443	1.0
131.08566	1.6
133.06488	4.3
133.10130	7.3
135.08052	2.1
135.11690	1.5
145.10112	5.6
147.08041	1.6
147.11676	4.7
149.09625	1.0
159.11658	1.4
161.05977	2.1
161.09586	4.2
173.13348	0.9
175.07585	1.1
175.14809	24.3
185.13292	1.4
187.11093	7.2
187.14845	13.9
189.09071	1.3
189.16415	6.9
199.14806	2.1
203.14319	40.5
217.15855	18.0
227.10643	1.0
231.13800	9.3
233.15303	5.8
259.13339	2.0
281.18842	1.2
311.16489	7.3
313.27307	2.0
325.17889	4.0
326.64697	1.1
329.17422	4.0
343.19040	13.5
351.52661	1.0
449.30750	4.9
467.31540	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	467.3346
Annotation	28-Norbrassinolide
Peak:m/z	Relative Intensity
50.47769	1.4
55.88574	1.5
56.04008	1.3
57.07053	2.0
64.06114	1.7
95.08579	2.0
109.10136	2.8
144.36568	1.7
158.20743	1.7
467.33386	100.0
490.53745	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	468.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46423	1.2
52.19967	1.4
55.05505	1.5
57.03436	2.3
61.02930	3.4
65.03951	2.3
67.05169	2.7
67.05509	66.9
69.03418	9.9
73.02903	2.6
81.03410	9.4
81.07072	12.6
85.02908	85.9
85.80478	1.8
91.03947	3.0
97.02895	22.3
99.04446	2.6
105.03387	37.4
105.07021	2.2
107.04919	1.8
109.02896	14.1
109.10155	100.0
123.04427	3.8
127.03905	23.0
144.52840	1.8
145.04942	32.0
163.06046	14.2
249.07562	9.2
267.08578	8.0
325.11337	7.5
326.05490	1.8
336.29697	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	468.3085
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.99882	0.7
57.07074	1.7
60.08167	12.7
60.76935	0.7
63.06907	0.7
66.62765	0.6
67.42798	0.6
69.07091	1.0
71.07370	2.9
71.08648	1.1
85.10197	0.8
86.09193	1.3
86.09708	39.2
89.51882	0.7
104.10748	91.2
114.21512	0.8
125.00004	16.8
143.82159	0.8
146.24574	0.8
181.02628	0.9
184.07336	100.0
244.03500	0.9
253.13478	0.8
285.24225	4.1
310.59592	1.0
450.29779	5.0
468.30841	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70621	2.3
57.07081	40.3
59.83039	2.7
67.05502	4.8
67.20866	2.5
69.07075	6.0
69.07475	2.4
71.08630	39.5
73.06564	4.1
81.07084	3.6
85.10172	20.5
89.06028	100.0
106.03146	3.3
125.80599	2.8
133.08617	24.8
133.90263	2.9
165.09094	15.7
177.11238	6.4
201.75229	3.7
212.42831	2.7
257.24771	11.4
283.17499	17.7
399.42337	3.1
423.32443	4.0
451.36215	80.6
468.32303	3.7
468.38239	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	469.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16605	0.9
53.32431	1.1
67.35044	1.0
67.73337	1.2
68.99787	1.7
75.19494	1.1
75.94367	1.2
80.57633	1.3
85.02888	1.3
95.04951	1.3
97.28790	1.1
99.18722	1.3
107.04955	100.0
110.29491	1.0
113.02335	6.3
139.44823	1.1
151.03911	1.5
157.06505	2.6
157.29967	1.3
159.04414	1.8
167.03337	1.6
169.04956	2.6
171.04431	2.7
173.09473	1.2
181.04959	6.2
185.05971	2.5
193.04813	1.7
195.02954	1.9
199.03986	4.6
199.07492	2.1
211.06027	2.4
213.05507	7.0
219.02826	4.6
227.07053	1.7
229.04926	2.0
231.06522	11.9
241.04900	1.8
242.74799	1.2
245.04521	2.5
245.08192	1.7
246.05342	1.4
247.05980	2.6
249.07646	6.7
255.06502	2.9
259.05984	25.5
261.03970	1.3
261.07559	2.8
263.05548	6.0
273.04053	4.9
273.07587	5.4
274.04721	4.6
275.05554	2.3
285.04041	1.8
285.07281	1.8
287.05460	12.4
289.07095	2.4
301.03561	1.4
301.07053	4.7
302.04172	2.6
315.04953	22.2
317.06528	23.5
333.06021	28.1
345.06030	40.6
357.06091	4.6
451.09946	2.0
469.11343	2.2
469.29544	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	469.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45572	1.0
53.03943	5.3
55.01866	1.1
61.35718	0.9
69.03426	1.9
69.76446	1.0
71.04978	10.6
72.37818	1.0
73.02855	1.1
81.03423	11.4
85.02892	5.2
95.04984	2.2
97.02895	10.3
99.04455	74.5
109.02883	75.5
113.06004	16.7
115.62500	1.0
123.04424	8.5
127.03913	52.1
132.04465	19.5
137.05986	9.3
139.03911	2.5
141.05486	14.5
143.71210	1.2
145.04993	8.1
147.04390	1.3
159.06528	70.9
165.05537	1.4
168.09012	1.2
172.24692	1.1
174.48746	1.2
201.07588	1.7
202.81567	1.1
241.79417	1.2
267.08606	9.1
285.09692	100.0
303.10739	8.1
304.64795	1.1
409.15259	1.7
469.19943	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	469.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40615	2.4
55.01859	2.4
55.05502	11.3
57.03450	21.0
61.02929	58.0
67.05502	47.7
69.03432	22.5
69.07062	11.5
70.63225	2.1
71.01337	3.2
71.04972	4.1
73.02914	23.3
79.05490	45.7
81.03413	15.6
81.07053	41.4
83.04999	3.2
83.08619	5.6
85.02903	58.0
91.03960	27.6
91.05433	20.4
93.07046	50.6
95.04916	2.5
95.08584	35.3
97.02886	44.4
99.04428	4.4
101.02365	6.2
103.03955	4.3
105.07038	18.8
107.08592	17.0
109.02850	3.0
109.10143	15.6
115.17510	3.0
117.07028	10.0
118.30235	2.3
119.08569	5.5
121.10123	31.0
123.11675	4.0
127.03897	12.7
129.05447	3.1
131.08545	10.9
133.10118	13.1
133.86557	2.9
135.11655	15.0
135.67441	2.8
145.10121	6.4
147.11681	6.1
149.13248	5.9
157.10120	3.6
159.11676	10.7
173.13153	5.3
183.06322	3.3
210.72659	2.5
215.17868	10.5
233.18890	5.3
307.22650	52.4
424.44458	2.8
451.26813	4.7
469.27982	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	469.2952
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.39296	2.1
54.96158	2.6
55.05509	3.8
69.07063	11.2
76.89765	2.7
81.07066	3.5
83.08641	2.8
90.03902	2.5
93.07054	3.3
95.08598	5.8
97.10153	3.8
97.29464	2.7
99.40946	2.7
105.03386	5.0
109.10154	13.1
121.06487	2.4
121.10137	3.2
123.07997	3.8
125.09651	2.6
131.08571	3.9
137.05994	4.7
145.06483	3.3
145.10135	10.7
147.11632	4.1
157.10081	3.7
157.12274	2.5
159.11681	4.1
163.07683	3.3
173.09563	3.6
173.13239	14.8
173.14612	2.6
176.15244	3.0
183.11647	3.3
185.09514	4.9
187.00722	2.7
196.61230	2.7
213.09088	3.5
223.11157	4.4
227.10614	2.8
229.12062	3.1
232.55046	2.7
237.12712	6.2
239.14328	4.8
241.15797	3.1
245.11632	3.7
250.42230	2.5
251.14439	4.0
253.12289	3.9
263.69864	3.1
265.15836	4.4
279.13870	2.9
279.17368	3.9
297.14902	16.6
307.16779	10.0
325.18076	18.1
343.19019	5.6
451.28430	29.4
469.22870	4.9
469.29651	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	469.2955
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
51.27927	0.9
55.05506	2.4
64.84002	0.9
67.05505	1.1
69.03389	1.2
69.07061	5.9
69.64009	1.0
71.55769	1.0
81.07062	4.3
83.04993	4.8
83.08634	8.8
93.07067	3.2
95.08572	7.3
97.06538	4.1
97.10126	1.1
103.26743	1.0
105.03374	1.9
105.07028	1.6
107.08597	5.2
109.06500	1.7
109.10154	1.6
111.08102	4.9
119.08586	1.3
121.06524	1.8
121.10172	2.3
123.08092	1.8
123.11708	4.6
125.09655	1.5
125.16585	1.0
129.09122	1.6
131.08572	4.7
133.10156	4.5
143.08575	4.4
145.10155	6.5
147.08031	4.4
149.09625	1.8
152.21637	1.0
153.12759	1.3
155.08542	1.3
157.10225	1.2
159.11684	1.5
161.09697	1.9
166.48454	1.0
169.10042	3.7
171.08049	2.2
171.11687	2.0
173.09673	8.6
173.13289	5.6
175.11136	1.1
183.11731	2.0
185.09714	1.0
185.13217	1.3
187.14813	11.9
189.09109	3.6
191.10664	12.9
195.11710	1.7
197.13145	1.4
199.11316	1.5
199.14755	1.2
207.11717	1.4
209.11690	1.2
211.11191	1.8
213.12799	1.1
214.71274	1.2
221.13498	1.2
223.11256	1.7
225.12704	6.1
225.16151	1.2
227.14310	1.7
229.12309	2.0
231.13890	1.5
237.12726	2.4
237.16475	1.2
239.14278	1.2
239.18152	1.3
249.12747	1.2
251.14368	2.3
261.18564	13.8
263.14325	3.5
265.15872	3.8
269.15298	1.3
281.15472	5.2
283.16852	8.7
284.17844	1.2
289.16058	2.1
295.17053	1.3
295.20425	1.4
299.16367	8.4
301.06952	2.0
301.18051	6.0
305.18912	1.5
307.16977	1.8
311.19919	1.5
313.21744	2.4
325.17841	1.2
335.20059	2.2
339.19443	1.4
375.23407	2.0
377.24811	4.1
387.26688	1.7
395.25696	2.0
405.27762	4.0
423.29233	4.0
433.27188	8.8
440.64368	1.1
451.28455	26.7
469.11383	4.0
469.29501	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	469.2951
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
50.90465	0.6
53.56796	0.6
55.01857	0.8
55.05506	0.8
55.59833	0.6
60.31525	0.8
64.83685	0.7
67.05500	2.9
69.07056	1.7
79.05479	1.0
81.07051	5.3
82.65698	0.7
83.08598	3.2
91.05446	2.8
93.07053	9.5
95.04956	5.5
95.08601	7.5
97.06496	3.2
105.03394	5.3
105.07026	4.5
107.08591	4.5
109.06512	1.6
111.08070	1.0
119.08543	5.2
121.06492	10.8
121.10126	3.2
123.04435	5.1
123.08060	8.5
123.11669	1.1
125.09624	1.6
131.08589	3.7
133.10118	5.8
135.08040	3.1
137.05962	6.2
137.09621	1.2
139.03992	0.7
139.07539	3.4
143.08533	3.8
145.10095	6.7
147.04303	1.1
147.08034	3.4
147.11685	1.2
149.09613	5.0
151.07513	1.1
151.11198	5.6
155.08479	0.8
157.10109	1.6
159.11705	3.0
161.09538	1.8
161.13203	1.1
163.03864	2.8
163.11134	1.8
169.10086	1.2
171.11629	1.3
173.09633	6.7
173.13245	9.2
181.39203	0.8
183.11693	1.5
185.09511	1.0
185.13268	1.4
187.11223	0.8
189.09097	2.8
189.12735	49.5
191.10728	2.7
191.14229	0.8
195.11639	1.1
197.13290	1.6
199.11214	1.3
201.12741	3.0
204.68535	0.8
211.11191	1.0
213.12737	1.6
215.14151	0.9
219.13647	0.9
223.11220	1.1
223.14745	0.9
225.12721	4.0
231.13918	1.3
237.12665	1.4
253.15875	1.0
255.17477	1.0
265.15869	2.6
283.16995	4.2
293.19073	0.8
299.09204	1.5
301.17993	6.6
329.20953	1.5
433.27368	4.9
451.28409	16.5
469.29465	100.0
485.09329	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	470.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54517	0.6
50.90773	0.6
53.03951	0.7
55.01878	1.3
55.05514	8.6
55.32150	0.7
56.47792	0.8
57.03431	3.4
61.02937	6.9
64.20561	0.8
69.03429	12.4
69.07070	53.7
73.02917	3.1
79.05502	0.8
80.46281	0.7
81.03418	7.9
85.02907	100.0
87.04472	1.7
91.03941	4.7
97.02893	24.3
99.04440	4.0
109.02873	8.7
111.11716	21.3
113.57742	0.8
115.03924	1.3
123.11626	0.8
127.03912	25.9
145.04958	31.3
163.06009	20.5
173.53224	0.9
237.14684	1.2
255.16013	1.5
325.11337	5.2
346.39606	0.8
368.37317	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	470.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06542	0.4
55.05511	0.6
57.03415	2.1
58.04711	0.4
58.06353	0.5
58.06602	10.3
59.07368	2.8
60.08164	4.1
64.33153	0.5
65.29269	0.3
67.05479	1.9
68.86260	0.4
69.07044	0.9
75.04455	2.3
81.07036	2.9
83.08597	0.7
85.02916	0.6
87.04446	2.0
91.05453	0.5
93.06982	0.5
95.08559	0.7
105.05443	0.5
109.10181	0.5
121.10162	0.5
131.07024	0.8
144.10179	6.7
162.11276	3.6
218.13779	0.7
236.14912	100.0
374.33884	0.4
443.89008	0.4
452.33716	8.9
470.34732	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	6.6
61.07730	4.7
69.07079	11.1
71.08611	5.8
74.39197	5.1
75.38949	5.1
83.08646	7.8
109.06506	5.4
109.10169	12.8
112.64625	5.7
112.89514	5.6
123.11665	6.7
127.03905	8.6
131.04967	9.6
138.69403	5.9
270.23224	6.2
303.88608	6.2
309.95056	5.9
389.30527	68.7
407.31528	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	471.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41877	0.6
57.38233	0.6
58.02052	0.6
58.56270	0.5
59.68785	0.5
80.75090	0.6
85.02879	1.0
173.78822	0.7
185.04225	2.6
287.92001	0.7
308.02930	12.8
309.03653	2.9
330.33124	0.7
471.08957	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	471.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95163	0.5
64.06526	0.5
99.04474	0.5
116.87463	0.5
125.16540	0.6
147.04396	1.0
161.02890	0.5
163.03940	2.0
164.22855	0.5
210.72008	0.5
275.07217	0.6
291.13397	1.9
295.82220	0.5
309.14362	0.8
317.08374	5.4
339.10306	2.9
359.16306	0.5
424.92087	0.5
438.73865	0.5
471.14694	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	471.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13776	0.4
76.42107	0.4
88.72658	0.4
105.03393	0.5
109.86945	0.5
225.23827	0.4
260.60718	0.4
263.79599	0.5
306.87756	0.4
345.54306	0.4
404.54343	0.5
471.14682	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	471.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85938	0.4
52.11504	0.4
84.80260	0.4
101.00871	0.6
101.77129	0.4
109.02891	0.8
119.01917	0.8
133.03461	0.7
139.02402	0.5
143.01891	2.4
143.99565	0.5
145.03438	0.6
157.03461	7.1
158.99609	0.5
161.02922	2.6
161.04326	0.4
167.01910	0.9
169.03430	0.5
173.01208	0.7
174.99254	0.5
175.04507	3.3
181.03471	0.5
183.05034	3.7
184.02159	0.5
185.02927	5.8
187.04526	1.7
191.02309	0.5
199.04486	2.1
201.06079	2.0
203.04068	3.5
205.00241	0.5
217.05531	1.6
219.01749	0.5
221.01463	4.3
230.02010	3.7
235.06705	1.9
251.04297	0.8
253.07712	1.9
259.06702	1.8
276.06583	0.5
277.07678	100.0
295.08737	39.5
303.09137	0.6
337.07990	0.6
374.06268	0.9
411.13419	9.0
471.10162	1.4
471.15778	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	471.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
84.96043	0.6
87.40891	0.6
106.52640	0.5
119.01893	2.1
133.03450	0.7
135.91702	0.6
143.01881	1.4
157.03455	5.2
158.99733	0.6
159.01344	0.7
161.02969	3.4
167.01891	2.6
169.03386	0.7
175.04529	2.8
181.03412	0.7
183.04994	2.4
185.02919	4.9
187.04454	0.8
199.04494	2.7
201.06073	3.2
203.04010	3.7
217.05560	1.2
235.06612	1.1
259.06622	0.7
276.06815	0.7
277.07672	100.0
295.08734	37.7
318.10318	0.7
411.13586	8.1
457.89877	0.7
471.15781	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	471.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13673	1.4
69.03407	1.5
69.07066	1.8
79.05490	8.0
81.07064	65.2
91.05476	2.4
93.07050	10.2
95.04974	9.3
95.08603	4.2
97.06504	3.4
102.91856	1.9
105.03398	100.0
105.04473	2.6
105.07028	10.3
107.04948	10.8
107.08598	3.7
109.06519	54.5
109.10131	2.4
117.07012	8.0
119.04942	7.3
119.08562	2.2
121.02824	2.1
121.06509	7.7
123.08099	2.1
127.11194	2.0
129.07010	2.1
129.96687	2.2
131.08543	3.1
133.06511	7.5
135.08043	11.0
141.07030	2.8
143.08609	6.3
145.06485	13.6
145.10165	3.3
147.04387	4.2
147.08054	2.9
149.05901	5.5
155.08560	11.8
157.10127	4.3
159.08069	10.8
159.11690	3.0
160.55829	1.8
161.09665	7.0
163.03955	2.2
163.07559	14.7
165.06992	2.0
167.08609	2.7
168.09422	2.2
169.10101	8.9
171.08040	9.4
171.11674	3.9
173.09575	7.3
173.13316	3.9
175.11189	2.8
177.09122	2.5
179.08505	3.1
181.04904	2.4
181.10150	8.3
182.10939	3.6
183.08072	11.5
183.11674	9.6
185.09676	6.7
187.07484	2.6
187.11227	3.0
189.12738	2.3
192.09329	11.5
195.11716	4.4
196.08849	9.0
197.09616	10.6
197.13280	21.1
199.07506	3.0
199.11198	17.9
201.12701	3.6
203.10675	9.4
207.11707	16.9
209.09634	4.1
210.10309	4.3
211.07549	2.5
211.11218	8.3
213.12677	3.5
215.14336	2.3
220.08948	2.3
223.11150	3.6
224.08536	2.2
225.09372	2.1
225.12711	42.6
227.10652	7.8
227.14368	2.2
229.12212	2.8
235.11197	13.7
238.09982	2.2
241.12308	4.4
243.13745	28.3
245.08018	2.3
253.12227	37.2
271.13269	48.5
287.09265	4.2
289.14371	44.9
307.15363	3.8
309.18442	2.5
313.14114	2.3
331.15094	6.9
335.09558	2.4
349.16376	14.4
375.15933	11.1
393.17062	15.0
411.17978	21.5
453.11594	2.2
453.30075	2.8
471.12939	2.8
471.20834	9.0
471.31369	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	471.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10305	0.6
54.51257	0.5
80.58051	0.6
102.22943	0.7
108.44280	0.7
119.04946	2.8
123.04417	0.8
124.07580	0.7
138.79417	0.7
147.04402	13.5
159.11967	0.8
215.11743	1.5
225.10318	0.8
242.10516	7.6
243.11266	19.2
253.09702	22.5
255.11246	0.8
270.09836	2.5
271.10751	30.2
271.13647	1.1
335.13812	4.6
347.10156	2.8
347.13995	1.5
348.11273	1.1
349.11615	2.4
350.12735	0.9
360.11182	1.1
361.11642	1.4
362.12616	2.8
363.13470	4.4
365.15073	1.0
375.13443	3.5
377.14951	1.1
381.14474	9.9
389.14551	1.1
389.18826	1.3
391.16461	3.6
393.14380	3.9
402.15988	1.4
406.18784	1.3
407.19681	3.4
417.18143	1.6
420.16714	1.2
435.13113	0.8
435.19086	23.4
453.20078	18.2
471.21225	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93080	0.7
91.04781	0.9
153.01833	4.4
203.05196	5.0
208.61752	0.8
231.06558	0.7
252.20740	0.8
259.05945	1.3
275.07419	4.4
335.09473	84.4
411.06894	1.1
471.13211	3.6
471.21985	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	471.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.0
69.07074	1.6
76.86447	1.3
79.05480	3.0
81.07059	3.3
81.74564	1.4
83.75856	1.3
91.05461	1.4
93.07030	1.5
95.08594	7.1
102.77043	1.4
131.04936	1.8
134.98169	15.3
142.05180	1.3
145.39313	1.5
183.86841	1.4
187.24071	1.2
238.32953	1.5
238.67949	1.3
247.76300	1.7
263.17981	1.6
309.32571	1.5
324.55014	1.6
409.00870	1.4
471.24823	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	471.2719
Annotation	Withaferin A
Peak:m/z	Relative Intensity
54.68044	0.8
57.45182	0.9
59.33540	1.0
62.15042	0.8
68.32543	0.9
80.64935	0.9
96.77753	0.9
97.61108	0.9
107.08585	2.4
107.96859	1.0
109.10131	1.3
109.64314	0.9
135.08054	24.9
306.39487	1.0
313.72717	1.3
365.92920	1.3
411.25064	22.9
471.27121	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	471.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.9
57.03431	19.1
57.07058	3.0
61.02930	49.1
67.05503	44.5
69.03437	30.4
69.07066	23.3
71.01372	3.5
73.02921	24.6
75.14880	2.9
79.05478	15.9
81.03420	14.3
81.07065	57.0
83.08601	13.7
85.02897	47.5
91.03960	32.9
91.05477	19.2
92.17854	4.3
93.07040	20.7
95.08612	40.8
97.02872	33.0
97.10163	12.2
98.16336	3.0
99.04469	6.1
101.02375	7.8
103.03946	4.4
105.07005	12.2
107.08594	6.5
109.02856	5.1
109.10136	17.3
119.08566	5.9
121.10133	14.7
123.11684	6.0
125.09641	4.5
127.03893	12.3
131.08546	5.5
133.10114	12.4
135.11678	6.9
137.13258	3.9
147.11679	5.7
149.13329	3.5
161.13219	5.3
217.19507	14.9
235.20537	13.0
252.65320	3.9
301.21628	3.6
309.24228	53.1
453.28775	7.2
471.29538	100.0
496.98669	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	471.3104
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.10088	4.2
69.07061	20.9
81.07072	9.4
93.07037	9.6
95.08582	9.9
105.06989	6.5
107.08588	9.7
109.10137	7.8
110.25623	5.3
118.96149	4.7
123.08023	6.6
133.10100	5.9
135.11670	5.3
145.10049	6.5
147.11697	7.4
151.11195	8.6
158.95381	4.7
161.21393	5.2
172.41438	4.8
173.09572	6.7
173.13252	20.1
187.14772	5.5
189.09113	11.6
191.10619	10.3
206.67705	4.7
213.12659	5.6
225.12856	5.5
231.81192	4.8
239.14468	5.0
239.53990	5.0
248.62814	4.4
251.05602	5.4
265.15909	8.8
283.17017	9.0
301.17996	48.2
303.08493	4.9
311.19955	5.9
329.20993	12.0
331.94238	5.3
409.27448	8.6
427.28204	38.5
453.30078	20.5
471.31082	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	471.3107
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.41143	1.3
50.84139	1.3
55.05508	3.3
56.00541	1.2
62.12600	1.5
64.29401	1.1
65.78321	1.2
67.05495	5.2
69.07066	2.9
73.65298	1.4
81.07047	8.3
89.45019	1.5
90.05437	1.5
93.07037	7.2
95.08594	34.2
105.07023	6.2
107.08579	7.9
109.06530	1.9
109.10170	5.3
109.30610	1.4
111.08073	2.7
113.09646	2.1
119.04929	1.7
121.06470	1.7
121.10143	2.3
123.04420	2.3
123.08025	14.9
123.11690	1.7
124.77550	1.8
125.09615	5.5
126.90588	1.5
131.08563	2.4
133.10104	2.1
135.11690	2.7
137.05986	8.4
141.09093	7.9
145.10098	7.5
147.07986	2.8
147.11644	1.7
149.05974	1.4
151.07544	3.4
151.11133	10.1
153.12659	1.6
155.08566	1.7
159.11632	2.2
161.09715	1.5
171.07956	1.6
171.13684	1.6
173.09575	5.7
173.13217	22.6
177.05461	9.3
181.08546	5.7
181.10022	1.8
183.11720	1.9
189.09154	2.6
191.10706	7.6
195.11703	2.3
197.09726	1.7
197.13260	2.4
199.11179	2.7
201.12816	1.8
209.13272	3.0
213.12912	2.1
215.14333	2.4
223.16832	1.4
225.12724	2.7
237.16255	1.6
249.14824	2.1
251.14082	1.8
253.15796	5.0
255.17456	6.4
264.61911	1.6
265.15881	3.3
265.19070	1.5
266.37830	1.5
283.16898	12.0
283.20023	2.1
293.19022	3.3
299.16345	3.1
301.17978	62.9
302.18710	8.0
311.20053	11.6
324.99957	1.6
329.21143	8.8
339.19785	2.4
353.21481	3.4
355.48090	1.5
357.20779	1.5
371.22226	8.3
435.29028	5.6
453.30011	27.9
471.31042	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	471.3106
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
55.05515	22.8
57.03418	2.6
67.05495	2.4
69.07062	16.4
71.66738	1.4
81.07044	8.7
83.04975	19.4
83.08582	1.5
91.05559	1.3
93.07030	5.8
95.08604	31.8
95.29510	1.4
97.06505	1.7
97.10151	6.3
99.08050	2.4
101.42869	1.3
105.07011	2.8
107.08572	5.4
109.06494	1.7
109.10139	2.8
113.09634	7.4
119.08608	1.5
121.10163	1.7
123.08059	7.1
123.11663	2.0
125.09638	1.6
127.54146	1.4
131.08565	3.3
133.10085	2.2
135.08049	1.4
135.11678	2.0
135.12717	1.8
137.05968	2.4
141.09099	16.1
141.91519	1.3
143.08530	3.0
145.10097	8.8
147.08017	1.7
147.11684	1.8
149.09612	1.6
149.13239	1.4
157.10178	2.0
159.11647	2.5
161.09581	2.3
161.13324	1.5
165.12787	3.0
171.11691	2.4
173.09639	11.5
173.13269	3.2
175.11131	1.6
181.09956	1.7
185.09610	1.8
185.13142	2.7
187.11195	1.8
187.14772	2.6
189.09076	3.0
191.10655	10.5
195.11601	2.1
199.11195	1.8
211.14705	1.7
213.12694	5.9
214.57797	1.3
218.95419	1.5
225.12671	2.8
231.13724	11.6
237.16365	1.8
249.14766	10.6
255.17532	2.2
265.15866	6.4
275.63712	1.7
283.16748	10.4
295.20218	1.6
301.17944	38.0
302.19043	4.5
309.16592	2.3
311.20187	1.6
313.21585	5.5
329.20914	1.5
331.22678	8.1
377.24832	2.7
395.25699	2.9
405.03885	1.5
413.26764	11.5
423.28564	1.6
435.28812	5.5
453.29944	17.8
471.22165	9.1
471.31018	100.0
481.35071	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	471.3108
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
54.14862	1.0
58.83813	1.0
67.05476	1.5
69.07065	2.1
81.07066	4.4
83.08643	1.3
86.42319	1.2
93.07044	2.1
95.04962	2.7
95.08595	2.4
97.06491	1.1
97.10220	1.2
100.87473	1.2
107.08580	1.6
109.06530	4.9
109.10177	11.8
119.08598	1.6
121.06479	1.5
123.08079	2.1
125.09637	2.3
127.11189	4.9
131.08560	1.4
135.04330	1.3
135.08070	1.1
143.08553	1.4
145.06514	1.2
145.10036	1.9
147.08084	2.7
147.11752	1.3
151.11238	2.5
152.58206	1.1
155.14301	1.9
159.08080	1.7
159.11694	2.4
161.09608	5.2
171.08032	2.8
171.11658	2.0
173.09621	8.3
173.13278	1.9
175.07652	1.5
183.11656	1.8
185.09621	2.8
185.13217	1.9
187.11214	4.6
189.09094	2.7
197.09618	1.9
197.13327	2.1
199.11191	6.7
203.10667	1.3
205.86893	1.3
211.11217	6.7
213.12769	6.2
215.10722	4.9
223.14807	1.7
225.12695	7.6
225.16377	1.5
229.12309	5.7
231.13849	2.4
235.14827	1.8
237.12878	1.7
239.14215	2.1
241.15950	2.0
243.13544	1.4
253.12146	2.2
253.16011	5.5
255.13861	6.8
257.11621	1.7
263.17899	1.3
267.17575	6.8
271.16937	22.0
281.15710	2.0
281.18933	2.7
285.18701	1.6
291.17410	2.6
299.16476	11.4
299.19785	2.9
303.19550	1.3
309.18463	14.5
327.19543	20.2
345.20609	13.3
391.36917	1.3
453.30130	7.2
471.31088	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	471.3108
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
51.47975	2.8
54.73611	3.0
55.05507	20.4
69.07050	7.4
72.08141	4.9
75.20531	3.0
81.07060	5.7
83.04978	13.2
88.54441	3.4
90.88741	3.3
92.17860	7.5
94.37522	3.0
95.08620	35.8
96.08155	3.9
97.10150	4.0
97.31009	3.3
99.08082	6.5
99.86429	3.7
110.09712	5.4
120.08088	25.5
121.08850	4.7
121.10133	4.3
123.08088	6.0
131.08583	3.5
138.09143	68.9
141.09084	14.4
145.10085	4.6
151.11226	4.2
169.84369	3.2
173.09633	8.1
173.13245	4.5
191.10719	16.0
205.04942	4.6
213.12749	4.3
231.13863	3.7
265.15854	6.1
279.57767	3.3
283.17157	4.5
301.17914	26.0
303.05051	4.6
329.20898	4.2
401.22900	3.8
413.26889	7.0
435.29245	5.0
443.18369	5.7
453.15903	3.5
453.29987	18.6
471.08960	4.7
471.17648	6.2
471.31268	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	472.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03489	0.5
56.22935	0.5
58.99564	3.2
63.85826	0.4
69.03404	0.8
71.99235	0.5
73.60423	0.4
76.00638	0.4
85.02899	0.7
86.99016	2.9
97.02873	0.6
100.02202	26.4
101.22549	0.4
105.00092	9.3
108.64904	0.5
127.03890	0.8
137.05928	0.6
145.02802	0.7
146.02704	100.0
147.11722	0.7
170.02652	0.6
177.05469	0.8
178.07285	0.7
268.91019	0.6
292.13647	3.5
310.14676	6.3
472.15009	7.9
472.20233	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36256	0.5
51.43027	0.5
53.03949	0.8
53.54382	0.5
57.03434	2.3
60.05648	0.6
61.02917	4.9
62.86911	0.5
63.42148	0.5
69.03426	9.5
69.07600	0.5
71.04983	1.0
73.02912	2.6
81.03420	3.3
85.02904	100.0
87.04478	2.0
91.03957	5.0
92.17895	0.6
96.25011	0.6
97.02885	20.6
99.04435	3.6
109.02882	9.9
126.77866	0.7
127.03912	28.3
145.04956	37.2
152.11449	0.7
163.05994	21.5
293.19540	4.5
325.11279	4.2
472.31427	2.6
496.52246	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	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45069	0.4
55.05490	0.5
56.89890	0.4
57.03426	1.7
58.06606	9.4
59.07381	3.2
60.08170	4.8
63.01699	0.4
67.05479	0.7
69.07046	0.8
75.04456	1.6
79.05473	0.5
81.07054	1.9
83.08602	1.7
85.02895	1.4
87.04472	2.8
95.08585	0.6
99.05022	0.4
103.03991	0.5
105.05475	0.8
107.08537	0.5
113.05964	0.6
121.10104	0.5
124.02328	0.4
131.04901	0.4
131.07016	1.8
135.11703	0.6
144.10193	8.8
149.13239	0.5
162.11208	3.4
173.31880	0.4
218.14142	0.4
236.14909	100.0
243.47493	0.4
369.86743	0.4
454.35233	9.6
472.36279	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1421
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
52.63479	0.5
68.60305	0.5
71.56688	0.6
72.31644	0.7
79.42773	0.7
81.07029	0.7
95.08587	0.7
121.06499	1.3
131.08604	0.6
133.09993	0.7
176.09431	0.6
223.11302	0.9
241.59073	0.7
265.16058	0.8
301.17938	2.5
311.16586	0.9
371.18683	1.0
473.14160	100.0
473.19238	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	473.1959
Annotation	Paleatin A
Peak:m/z	Relative Intensity
61.34076	0.5
62.91362	0.6
68.89462	0.6
81.41057	0.7
83.68819	0.8
91.05484	0.6
93.07033	0.8
95.04992	0.7
105.03406	10.9
105.07029	1.0
107.04940	8.9
109.10111	0.6
117.29202	0.6
121.06494	3.4
132.05713	6.2
133.06462	2.3
145.06430	2.2
149.06012	2.4
164.95747	0.6
165.09090	4.1
169.29213	0.6
171.07918	0.7
175.14845	0.7
181.10103	0.8
185.09657	1.0
197.09608	0.8
209.09602	3.3
215.34862	0.7
221.13216	0.9
223.14737	0.8
225.09122	5.9
237.09157	2.8
239.07021	0.9
239.14294	1.5
248.11964	1.2
249.09059	1.0
249.12721	1.3
252.07675	0.8
252.11385	1.5
253.08607	4.5
254.09552	0.8
256.07019	0.7
262.09988	0.8
263.14246	1.3
264.07782	1.1
265.08615	3.5
267.10605	1.1
267.13766	14.4
277.12213	1.3
279.10019	0.7
279.13547	0.7
280.07367	1.1
280.10834	1.2
281.08105	7.4
281.11520	1.3
281.15005	0.7
283.09558	1.5
291.10379	0.9
295.13257	37.3
306.12546	0.7
307.13187	2.7
309.11591	1.6
309.14700	1.3
323.12796	9.2
324.03152	0.7
324.13858	0.7
325.14297	2.8
351.16129	0.7
352.10947	0.7
370.11795	1.0
412.17108	0.9
413.13937	3.0
418.71652	0.6
443.18497	1.2
445.19855	0.9
455.18484	6.5
473.19583	100.0
474.61346	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	473.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47739	5.6
65.95496	6.1
69.03422	8.6
69.07061	6.0
79.05477	10.5
88.29911	5.7
91.05487	9.8
93.07027	30.2
95.07996	5.6
95.08617	12.8
97.06499	8.0
105.07028	65.6
107.08594	12.2
109.06479	10.6
109.10117	6.4
117.07015	8.3
119.08592	27.1
121.06510	39.1
123.08089	11.0
131.04932	5.7
131.08568	25.9
133.06497	33.5
133.10094	22.3
135.07994	9.0
141.07076	5.5
143.08574	39.4
145.06424	7.7
145.10167	8.9
147.08023	12.9
149.09619	27.6
151.07491	7.0
155.08479	8.6
157.06514	7.7
157.10184	21.5
159.08038	30.1
161.09604	82.7
163.07518	9.8
165.09154	6.5
169.10156	12.3
171.08096	9.6
173.09613	30.1
177.09029	6.9
179.08569	14.4
181.10097	36.0
183.11584	13.7
185.09618	9.3
187.11147	8.7
192.09241	7.0
193.10144	32.4
194.10895	7.8
195.11736	48.5
195.69238	6.0
197.09682	22.2
197.13246	7.1
199.11111	7.9
205.10097	10.7
206.10938	6.1
207.11702	32.7
207.97357	6.0
208.12378	13.3
209.09575	26.4
209.13213	14.4
211.11191	14.0
213.12646	7.9
217.10184	13.5
219.11717	9.7
221.13231	14.7
222.14041	9.1
223.11206	42.2
223.14795	28.2
225.12747	8.0
227.10686	7.5
232.12434	28.1
233.09656	10.0
233.13243	7.3
235.11171	25.5
235.14799	12.5
236.11971	14.6
237.12816	12.1
237.16440	12.9
239.10645	11.8
239.14331	26.1
241.15862	10.4
247.14789	35.9
248.12106	11.3
249.12619	11.1
250.13579	13.3
251.14333	45.0
253.15909	12.0
260.11893	27.9
263.14343	37.4
265.15863	75.2
267.13736	8.8
275.14175	24.7
281.15393	39.8
283.16858	23.5
293.15265	84.0
301.18057	10.4
311.16339	100.0
326.49072	6.2
353.17444	39.7
371.18375	52.1
413.19107	20.1
431.20654	88.6
455.31516	6.4
473.21655	47.0
473.32425	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70648	3.4
51.56332	3.2
54.03499	3.3
66.36100	4.0
69.03444	6.7
69.07071	8.4
74.32896	3.9
79.05497	5.4
86.57306	4.1
91.05450	7.6
92.17800	5.1
93.07027	16.0
95.04958	15.5
95.08591	6.4
96.83675	4.2
97.06514	6.6
105.07021	43.4
107.08604	7.5
109.06511	16.0
119.08590	27.9
121.06518	39.0
121.10128	6.7
123.08055	26.9
129.07024	4.2
131.08522	16.6
133.06448	41.8
133.10135	16.5
135.08060	16.1
138.53465	4.2
143.08530	20.4
145.06474	17.6
145.10092	9.6
147.08057	24.2
149.05980	17.7
149.09596	19.4
151.07549	17.1
155.08546	5.8
157.10143	9.8
159.08017	22.6
161.05945	14.7
161.09602	25.3
165.06931	5.7
167.08664	6.2
169.10136	8.3
171.07996	13.6
173.09628	8.5
175.07584	5.7
177.09084	6.4
179.08591	5.3
181.10077	21.8
183.08058	5.8
183.11655	9.0
185.09599	16.1
189.09094	3.8
193.10127	20.3
195.08067	14.8
195.11678	31.1
196.08829	6.5
197.09589	17.8
199.11209	18.9
205.10358	6.5
207.11699	24.8
208.09062	4.0
208.12556	5.2
209.09732	28.0
209.13295	8.9
211.11232	16.1
213.01376	4.1
213.09082	7.2
213.12746	8.5
217.10121	9.8
218.10847	4.5
219.11639	5.2
220.12387	3.9
221.13287	5.5
223.11218	31.7
223.14827	23.8
225.09120	7.0
225.12778	17.1
227.10664	15.7
229.11891	4.2
232.12512	22.8
233.09662	6.0
233.13197	7.7
235.11171	22.6
236.12010	9.4
236.76338	4.1
237.09026	4.1
237.12660	9.0
237.16370	15.6
239.14296	8.8
240.11383	4.4
241.12274	8.3
241.15909	8.3
247.14807	26.5
249.12704	7.6
250.13528	22.8
251.10597	8.7
251.14265	20.6
253.12247	27.0
255.17392	7.0
260.11896	18.0
263.10471	5.0
263.14325	7.7
265.15881	53.1
267.13892	6.6
269.11865	5.1
269.15311	15.8
275.14243	26.0
278.12952	7.1
283.16940	33.3
293.15311	97.1
311.16418	100.0
329.17538	16.5
335.16245	5.4
353.17456	43.8
371.18634	43.4
395.53766	4.2
413.19534	37.3
431.20615	56.9
473.21753	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.217
Annotation	Taxumairone A
Peak:m/z	Relative Intensity
69.07085	8.6
79.05506	5.4
91.05463	6.9
93.07033	20.2
95.04951	9.4
95.08591	5.1
97.06544	21.9
101.53026	5.3
105.07035	22.4
107.08582	9.5
117.06964	6.5
119.08560	20.1
121.06464	20.3
121.10104	9.3
131.08562	10.6
133.06509	28.3
133.10123	10.7
135.08057	21.4
137.09651	6.3
143.08588	9.6
145.10098	10.2
147.08090	10.4
149.05943	10.2
149.09616	7.7
155.08499	10.8
157.10109	9.4
159.08057	10.0
161.09583	23.2
163.07562	7.0
169.10118	9.5
171.08116	6.3
171.11580	6.7
173.09590	21.0
179.08592	5.7
181.10104	9.7
185.09628	8.5
187.11253	6.8
193.10097	12.6
194.10930	6.4
195.08035	12.0
195.10060	5.5
195.11729	35.5
197.09624	8.6
199.11205	10.9
207.11732	22.8
209.09628	12.9
211.11145	10.5
213.12759	7.8
217.10062	12.6
219.11676	7.3
223.11166	30.5
223.14774	12.0
225.12755	11.9
232.12427	12.2
235.11108	19.8
237.12634	12.3
237.16322	12.4
247.14877	21.9
249.12714	7.1
250.13432	11.9
251.14302	29.3
253.12309	8.9
260.11969	20.5
263.14285	7.8
265.15845	56.7
269.11917	6.1
269.15292	9.3
275.14325	22.2
278.12997	9.8
283.16727	21.7
293.15369	100.0
311.16397	68.9
329.17462	6.6
353.17410	51.3
371.18417	43.5
413.19547	40.8
431.20636	47.8
473.21698	59.3
489.38150	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	473.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80237	3.0
51.18404	2.6
53.18420	3.0
54.27815	3.0
55.05500	3.4
55.23066	3.1
56.94519	2.8
57.07083	3.4
81.03406	6.3
81.07059	6.4
83.08633	4.2
91.05494	3.8
91.57339	3.1
95.04957	7.7
95.08613	11.8
97.10188	6.6
105.07027	24.4
107.08541	3.7
109.10110	14.8
111.08060	3.9
119.08562	8.0
121.06496	7.0
121.10148	6.3
121.30516	3.8
131.08604	11.8
133.10143	13.8
135.08049	4.6
137.09593	4.9
143.08542	14.5
145.06570	3.6
145.10098	3.7
147.08011	5.7
149.09631	6.0
155.08543	6.5
157.10117	17.3
159.08035	7.2
159.11644	4.8
161.09589	12.7
165.09088	60.0
166.07835	5.9
167.08604	12.8
169.10109	27.6
171.08041	15.6
171.11664	20.5
173.09740	3.7
175.11295	4.8
179.08539	7.5
180.09308	5.1
181.10094	38.7
183.11711	12.6
185.09627	13.4
187.07571	6.5
189.12794	3.6
193.10086	17.1
194.10895	14.0
195.07977	5.5
195.11687	38.2
197.09622	22.6
197.13251	13.0
199.07474	4.1
199.11191	32.6
204.09195	3.8
205.10083	6.8
206.10886	5.7
207.11710	19.9
208.12462	15.1
209.09561	33.6
209.13202	23.0
211.11201	13.6
211.14774	5.3
213.09056	5.4
213.12794	3.9
215.14330	12.9
217.10136	6.5
217.12111	3.8
218.11067	4.1
220.12442	5.0
221.09695	3.7
221.13205	16.6
222.10345	3.9
222.13992	13.7
223.11174	18.3
223.14859	13.1
225.09103	7.6
225.12720	14.3
227.10640	20.3
232.12479	18.9
233.13213	6.1
235.11191	12.1
235.14790	6.0
236.12041	4.1
237.09157	7.7
237.12726	28.5
237.16325	26.8
239.14328	13.5
241.12093	4.1
241.15770	4.4
243.13937	4.6
247.14801	21.1
249.12622	12.9
250.13547	22.8
251.14294	16.3
253.12323	3.3
255.10144	6.4
255.13829	8.1
255.17444	7.6
260.11871	5.4
263.14243	14.7
265.15851	85.9
267.13721	8.2
275.14319	12.7
278.13004	5.1
281.15399	7.6
282.63486	4.4
283.16898	44.1
293.15356	77.4
305.47104	3.4
307.26154	3.7
311.16342	70.8
325.17947	5.3
343.19318	4.2
353.17459	84.9
371.18527	45.3
401.30469	4.0
413.19540	65.9
431.20657	24.3
455.31482	6.4
473.21741	100.0
473.32446	20.6
473.38638	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	473.217
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09073	5.0
66.41119	6.0
73.04335	5.2
81.18492	5.3
87.57525	6.1
91.05485	25.8
93.07049	13.0
95.04922	6.7
95.08581	8.5
105.07021	73.8
107.08580	9.9
109.06512	7.4
119.04969	6.4
119.08565	21.8
121.06474	50.4
123.08057	28.3
129.07036	7.9
131.08568	67.8
133.06476	55.0
133.10233	8.4
135.08031	25.1
143.08545	38.0
145.10155	22.4
147.08047	9.2
151.07544	11.7
155.08562	10.0
157.10120	7.4
159.08026	46.7
161.09605	74.2
167.08650	7.2
169.10097	12.0
170.31421	5.5
171.08080	6.6
173.09618	30.0
181.10141	24.0
183.11641	10.1
185.09619	9.8
187.07605	6.2
187.11241	11.2
193.10104	11.2
194.10999	9.3
195.11726	34.9
197.09564	13.4
197.59909	5.7
199.11090	7.8
205.10017	6.3
206.10857	7.0
207.11667	29.8
209.09552	21.6
209.13237	27.5
210.10324	7.8
211.11188	27.7
213.12677	9.0
213.72063	6.3
217.10039	13.3
219.11743	11.8
220.12453	8.1
221.09590	7.7
221.13199	11.6
222.14067	10.5
223.11140	29.0
223.14670	7.9
224.12109	6.9
225.12770	10.7
232.12485	30.0
233.13293	7.0
235.11214	10.2
235.14847	21.4
236.12067	8.7
237.12794	24.0
237.16336	20.4
239.14174	8.6
247.14844	24.0
248.11919	11.4
249.12747	13.2
250.13544	23.1
257.13272	7.2
260.12134	12.4
263.14331	32.9
265.15872	81.2
275.14252	38.7
281.15366	36.0
283.16959	21.9
293.15305	100.0
306.96408	6.0
307.00195	6.1
311.16409	76.9
313.06277	6.3
341.17471	12.0
353.17398	33.7
363.08798	5.6
371.18463	80.4
392.48782	6.7
413.19458	46.3
431.20667	25.0
473.21561	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2172
Annotation	Taxumairone A
Peak:m/z	Relative Intensity
52.81057	4.0
54.58159	3.7
55.92803	4.5
64.03804	4.5
69.07066	20.7
73.97327	5.3
78.67322	5.2
81.07101	5.6
83.05000	10.8
90.51815	4.5
91.05476	6.8
93.07019	11.6
95.04972	9.1
95.08604	12.0
97.06532	23.7
97.10168	8.4
105.07020	26.6
107.08613	9.7
109.06481	6.6
109.10153	8.3
119.08564	10.4
121.06505	10.5
121.10154	19.3
121.71703	4.9
123.08033	8.5
131.08557	9.5
133.06506	22.1
133.10141	9.8
135.08031	26.9
143.08511	9.4
145.06477	11.6
145.10107	20.8
147.04382	5.9
147.08018	8.4
149.09607	27.3
151.07358	6.1
155.08517	6.5
157.10066	6.5
159.08025	10.4
160.98543	5.7
161.06062	7.5
161.09581	11.4
165.09097	64.7
167.08566	8.5
169.10033	8.2
171.07988	6.8
173.09651	11.3
175.07494	6.2
177.09077	8.6
181.10173	11.7
183.11664	5.8
191.10681	7.7
195.11719	29.7
197.09644	9.3
197.13298	6.0
199.11282	7.8
205.10237	6.6
205.12196	10.7
206.10991	7.6
207.11700	7.9
209.09674	27.0
209.13351	6.2
210.10439	8.5
211.11131	8.4
213.12750	7.6
215.10645	8.9
217.10143	6.5
221.13310	5.5
222.14093	8.6
223.11171	12.5
223.14845	9.6
225.12729	8.8
227.10529	6.9
232.12476	11.7
235.11154	10.4
235.14818	5.4
237.09157	19.1
237.16399	9.0
239.14363	6.9
247.14876	20.1
248.11914	5.1
249.12808	9.4
250.09895	5.8
250.13496	12.2
251.10577	11.1
251.14351	23.3
260.11987	9.5
263.14331	25.3
265.15781	35.1
269.15366	5.7
275.14291	29.1
278.13034	12.6
281.15402	29.4
283.17029	12.8
293.15402	91.3
299.16611	6.1
303.86679	4.9
311.16360	100.0
315.12222	8.2
329.17606	6.4
353.17523	43.9
371.18561	97.3
413.19501	29.4
431.15555	6.6
431.20578	58.4
455.31726	8.4
473.21826	58.9
473.32617	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
57.03430	3.8
59.05031	3.2
67.05503	5.7
69.03401	4.8
69.07053	5.7
69.18279	2.8
69.78233	3.3
79.05482	7.0
81.07059	15.6
82.29189	3.5
83.04978	4.1
88.81751	2.8
91.05481	14.3
93.07047	13.1
95.04951	24.6
95.08629	12.3
97.06524	3.7
100.63650	3.6
105.07016	43.9
107.04948	5.0
107.08588	14.5
109.06528	12.7
109.10154	6.6
111.18443	3.3
117.07029	4.7
119.08546	24.6
121.06503	20.8
121.10091	3.4
123.08045	15.5
129.07033	3.8
131.08563	19.5
133.06447	37.3
133.10123	16.2
135.08067	14.3
137.05966	4.9
143.08549	25.8
145.06476	12.7
145.10101	15.8
147.04321	4.3
147.08072	12.9
149.06001	13.0
149.09657	13.7
151.07462	5.5
151.57512	3.2
155.08549	6.8
157.10132	15.6
159.08084	17.7
159.11667	4.5
161.09634	32.0
165.06882	5.5
166.07883	3.9
167.08577	5.9
169.10146	13.1
171.08003	5.4
171.11684	12.2
173.09641	23.3
173.13249	3.7
175.07521	5.2
175.11246	4.4
177.09135	13.5
179.08562	13.6
180.09285	4.2
181.10098	25.3
183.08090	4.5
183.11713	7.1
185.09546	5.4
187.07660	5.0
187.11246	7.7
189.09087	7.1
192.09294	3.3
193.10143	17.7
193.15894	12.8
195.08057	3.9
195.11713	43.6
197.09662	14.5
197.13206	5.2
199.11209	13.1
203.08530	4.2
205.10136	7.9
206.11041	3.6
207.08189	3.8
207.11517	24.3
208.08788	3.1
208.12419	12.7
209.09605	24.7
209.13214	16.3
210.10417	5.7
211.11194	18.3
213.08989	3.7
213.12733	17.2
215.10649	3.6
217.10201	12.4
217.12132	4.2
218.10898	4.7
219.11668	6.2
219.13695	5.2
220.12527	4.0
221.13297	15.0
222.14059	3.6
223.11139	42.5
223.14847	21.0
225.09207	4.0
225.12750	13.2
227.10660	12.3
229.12152	3.3
231.11745	4.4
232.12480	22.1
233.09781	4.7
233.13235	13.6
235.11186	12.9
235.14743	5.8
236.12013	4.3
237.12654	12.2
237.16463	13.5
239.10748	4.7
239.14256	4.6
241.12239	14.6
245.09531	4.4
247.14833	42.9
248.12012	3.5
249.12738	14.6
250.13512	17.0
251.10646	18.3
251.14301	27.5
253.12366	3.7
255.17574	3.9
260.12039	11.2
263.10696	5.4
263.14264	15.0
265.15866	60.1
267.13748	4.6
269.11758	12.9
269.15295	4.8
275.14279	31.1
281.15408	6.2
283.16898	27.1
293.15302	100.0
299.16513	3.8
301.14734	3.1
301.18015	15.8
311.16406	90.2
311.19894	7.8
329.17502	8.4
329.21021	11.4
343.22049	3.6
353.17395	59.1
357.20605	4.0
371.18500	40.3
371.22363	12.5
413.19666	32.1
431.20425	35.8
455.31424	12.2
473.22134	41.4
473.32733	76.9
473.39368	4.0
485.74780	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	473.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73135	1.3
55.01883	4.1
55.05512	7.0
57.03433	9.2
57.07072	2.7
64.94222	1.7
67.05508	41.2
69.07059	9.3
73.02927	3.6
79.05489	24.7
81.07058	41.6
83.08611	3.4
85.06528	1.9
91.05473	14.4
92.17893	1.9
93.07049	30.7
95.08610	31.4
97.06536	4.2
105.07046	12.7
107.08598	19.0
109.10170	18.5
113.00010	100.0
113.37434	1.5
117.07001	2.6
119.08571	20.4
121.10139	18.8
123.11707	8.1
129.05487	14.1
131.08559	13.0
133.10141	18.7
135.11697	9.2
145.10129	9.0
147.11719	9.8
149.09743	2.1
149.13232	6.5
151.11150	2.3
157.10138	2.2
159.11702	8.5
161.13263	3.9
163.11151	2.0
163.14761	2.0
169.02628	22.4
171.11661	4.1
173.13246	3.3
175.14870	2.9
185.13278	8.3
187.03705	18.1
187.14833	2.1
199.14784	2.3
203.17975	8.8
213.16345	2.0
241.05092	1.9
243.20998	2.9
245.22638	3.1
269.22733	20.3
287.23627	23.5
311.48099	1.8
361.27325	71.3
372.64691	1.7
425.62103	1.9
455.25580	3.2
473.26248	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	473.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14077	0.9
52.90110	1.2
54.10564	1.0
66.16588	1.0
78.21958	1.1
95.04958	1.8
103.05466	20.6
105.07014	2.4
109.10162	1.4
119.08591	1.2
129.07001	2.0
130.30530	1.2
131.04922	100.0
131.08606	2.4
137.09637	1.4
143.08586	4.8
145.05753	1.1
147.62085	1.1
153.93489	1.1
157.10138	2.4
159.11676	1.8
169.10149	2.9
183.11653	1.3
195.11617	1.6
265.19479	5.2
267.17386	2.7
283.20496	1.5
401.41605	1.4
413.24704	2.0
473.26828	12.6
473.33661	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	473.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22942	1.6
55.05510	2.4
55.39059	1.8
61.03693	1.5
67.05499	10.3
69.03419	2.1
69.07063	7.0
76.54772	1.7
79.05490	4.3
81.03425	13.3
81.07050	9.0
83.08626	2.5
91.05471	10.5
92.18510	2.5
93.07043	32.8
95.04964	11.8
95.08605	18.1
105.07055	21.1
107.08594	23.6
109.10148	9.9
117.07010	8.2
119.08568	30.1
121.10145	18.6
121.66161	1.9
123.11663	1.8
129.07024	3.8
129.15918	2.0
131.08554	21.5
133.06505	6.9
133.10150	27.2
135.08064	22.1
135.11685	7.3
135.37053	1.8
143.08559	22.5
145.10133	43.1
147.11707	9.5
155.08549	7.7
156.09349	2.4
157.10124	14.1
159.08044	7.4
159.11658	18.5
161.09589	19.8
163.11169	4.1
166.02747	2.2
167.08556	11.1
168.09404	2.4
169.10114	15.9
170.10965	2.6
171.11656	17.6
173.13261	3.0
179.08575	3.8
180.09341	7.8
181.10149	24.8
183.11676	14.6
185.13260	14.1
189.12712	3.7
193.10098	7.2
194.10918	11.3
195.11661	29.9
196.12486	1.9
197.13258	7.2
199.14844	2.0
207.11739	3.0
208.12506	14.0
209.13255	28.0
211.14899	2.8
221.13319	3.6
222.14061	2.5
223.14815	35.6
227.14146	2.9
235.14821	7.7
241.15999	2.7
243.30763	2.1
250.17206	6.9
265.19510	100.0
265.22281	4.3
283.20520	27.0
306.13553	1.8
325.21634	47.8
343.22614	3.3
419.45331	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	473.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.07050	1.1
58.08612	1.2
60.61721	1.2
67.05492	8.2
69.07043	7.9
81.07056	6.9
83.08593	6.0
87.56431	1.4
93.07059	5.2
95.04949	18.3
95.08590	5.1
97.10157	1.9
105.06981	2.5
107.08590	5.3
109.10155	41.8
119.08492	1.7
121.06525	1.8
121.10172	1.4
123.08015	1.7
125.09606	2.6
127.11192	15.1
131.08553	2.4
135.11691	6.9
143.08531	2.2
145.10135	7.7
149.09679	1.4
153.12732	5.2
155.14305	5.3
157.10097	2.3
159.08102	1.6
159.11714	5.1
161.09641	1.4
163.11070	2.4
171.08022	2.0
171.13782	1.6
173.09647	8.1
173.13179	6.0
175.11113	2.1
183.11690	1.4
185.13361	2.6
189.09103	2.0
191.10590	1.6
193.15794	16.3
199.11208	2.0
201.12708	1.9
213.12775	9.3
215.14282	5.0
219.13896	5.4
231.13802	5.0
233.15343	2.0
237.16460	1.9
239.14296	1.9
249.14828	2.0
253.15845	1.5
255.17369	1.7
261.18564	1.8
265.15866	2.9
265.19434	1.3
271.17038	1.7
283.16968	12.0
283.19955	1.6
293.18930	2.3
299.16602	2.0
301.17953	59.4
302.18665	1.9
311.20004	8.1
329.21143	12.2
347.22137	8.2
357.20648	5.1
455.31473	10.7
473.32581	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	473.3265
Annotation	Comnostin D
Peak:m/z	Relative Intensity
55.05506	1.5
55.18047	0.7
58.59792	0.7
63.95457	0.8
67.05498	4.7
69.07059	4.7
79.05479	1.5
81.07053	4.3
83.08608	1.8
85.71317	1.0
93.07028	4.1
94.69617	0.9
95.04965	17.1
95.08589	3.7
97.10175	3.7
100.14468	0.8
104.31141	0.8
105.07049	2.2
107.08590	2.2
109.06539	1.0
109.10152	16.5
110.10067	0.9
119.08565	4.9
121.06492	1.1
121.10090	1.3
123.08040	4.5
125.09621	5.7
127.11160	5.4
127.39304	0.8
131.08545	3.8
133.10126	1.3
135.08040	1.7
135.11705	2.0
137.05977	3.5
137.13263	1.3
143.08522	1.4
145.10118	9.2
147.11742	1.0
149.09654	1.1
153.12660	0.9
155.14333	2.2
157.10133	1.9
159.08029	1.6
159.11708	5.0
161.09619	1.4
163.11171	2.2
166.80862	1.1
167.40195	1.0
171.08046	1.8
171.11841	1.0
173.09599	8.9
173.13261	9.7
175.11154	1.4
175.14772	1.3
178.15338	1.1
179.47801	1.0
183.11594	1.2
185.13228	1.1
187.11180	1.3
189.09123	4.9
189.12793	1.3
193.15897	12.3
195.11725	1.8
197.13202	3.7
199.11191	1.3
201.12775	3.8
203.14342	1.3
209.13301	1.4
213.12727	7.7
213.16280	1.1
215.14305	5.1
219.13811	5.7
225.12788	1.5
231.13811	6.1
233.15393	1.0
237.16385	1.2
239.14128	1.1
247.15088	1.1
249.14595	1.0
255.17461	1.2
261.18567	1.1
265.15942	3.7
271.16916	4.8
283.16974	5.9
293.19016	5.7
301.17975	25.3
301.21127	1.6
311.20154	7.5
317.21405	1.3
329.21201	11.8
339.19498	3.7
347.22287	8.4
353.21564	1.5
357.20782	7.1
371.22266	5.7
455.31522	18.1
473.32605	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	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82217	1.2
55.05516	16.6
57.03442	14.0
57.07079	24.6
67.05507	24.8
69.07072	35.4
71.08636	18.1
75.04492	1.6
78.20750	1.9
79.05479	6.2
81.07059	45.3
83.08613	30.1
85.06535	2.6
85.10174	11.1
93.07047	14.7
95.08606	49.0
97.06515	8.3
97.10162	23.5
107.08581	12.6
107.09579	1.6
109.10159	32.0
111.08057	8.5
111.11729	6.6
115.44991	1.5
117.54568	1.4
121.10146	23.2
122.14956	1.6
123.11687	12.1
125.09621	10.4
135.11702	21.4
139.11194	3.0
147.68030	1.7
149.13275	15.2
163.14790	7.1
177.16383	3.3
191.17903	2.2
237.18698	1.6
261.25906	1.9
273.56308	1.6
279.26599	1.7
282.11188	1.7
307.26233	2.6
343.28452	28.9
381.29965	19.8
399.26285	2.3
399.31076	23.9
455.33765	25.9
473.34723	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	474.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
81.61578	14.1
84.04492	23.6
86.06055	74.7
88.59875	14.7
97.02840	17.8
101.36433	14.5
130.04996	31.1
140.07048	81.0
142.06093	18.1
143.04497	60.0
191.99139	14.4
200.88295	16.6
220.08119	17.1
247.37764	14.7
315.11804	25.2
333.12793	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	474.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88816	1.0
55.05497	1.5
72.04506	2.3
79.05484	9.1
81.07039	1.3
91.05466	8.8
91.47421	1.4
92.17919	1.4
93.07039	18.3
105.07058	2.4
107.04958	80.7
107.05698	2.7
119.08571	2.0
128.06203	1.3
129.06992	8.0
131.04921	2.5
131.08563	33.8
131.09456	1.9
134.09650	63.4
137.84116	1.2
143.08571	10.3
145.10117	2.1
149.05948	12.1
155.08522	3.2
157.10184	1.6
165.07008	8.6
166.07758	7.2
167.08537	12.4
169.10234	1.6
178.07826	6.1
179.08548	29.9
180.09222	9.8
181.10120	21.8
183.11797	1.5
191.08530	19.6
192.10190	15.2
193.10107	26.5
194.12047	15.9
195.11681	14.1
205.10182	7.5
206.10912	54.0
207.11626	1.6
207.18236	1.3
208.12451	11.5
219.11678	1.5
221.13239	100.0
223.14822	24.0
235.14783	3.1
278.50467	1.4
281.15338	7.5
474.26398	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
58.06573	1.1
72.04546	1.6
79.05486	6.8
81.07021	1.9
91.05481	10.6
93.07040	16.3
95.04942	1.3
105.07012	3.0
107.04269	3.0
107.04958	72.1
107.05681	2.3
109.89642	1.5
129.06964	6.5
131.04971	2.0
131.08572	27.6
134.09662	60.9
143.08563	13.1
149.05984	9.1
155.08598	5.2
157.10205	1.5
161.09593	2.0
163.65096	1.4
165.06989	6.8
166.07793	7.0
167.08603	11.9
169.10187	2.3
178.07826	3.4
179.08554	31.4
179.10081	1.6
180.09227	9.9
181.10109	20.0
191.08548	19.8
191.87276	1.6
192.10471	17.4
193.10100	22.1
194.11935	22.4
195.11719	13.0
205.10127	6.7
206.10907	38.0
207.11794	1.7
208.12489	8.2
221.13243	100.0
222.14059	2.1
223.14758	26.5
225.39003	1.6
235.14914	2.7
239.14273	3.3
281.15359	7.7
283.16983	2.7
296.27145	1.6
371.20157	2.5
474.26413	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	474.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62753	1.5
55.05501	2.3
55.45166	1.4
60.91827	1.3
63.56899	1.2
67.89139	1.2
72.04504	1.9
72.39042	1.2
76.05657	1.3
79.05484	9.4
81.07030	2.6
83.04985	1.5
91.05479	2.5
93.07040	17.0
97.48137	1.5
105.07021	3.4
107.04952	80.7
109.06392	1.4
118.11713	1.6
128.06198	1.5
129.06992	8.8
131.04982	2.3
131.08559	27.1
134.09654	62.2
143.08560	12.6
149.06003	9.5
155.08569	5.9
165.07024	8.8
166.07756	8.4
167.08513	13.0
169.10161	5.6
178.07767	6.3
179.08553	37.0
180.09187	10.6
181.10100	25.8
183.11612	2.4
191.08560	21.2
192.09138	2.5
192.10492	12.2
193.10109	23.8
194.11980	20.1
195.11668	10.4
205.10196	7.5
206.10898	52.8
206.12843	1.9
207.11681	2.9
208.12497	9.7
220.12309	2.0
221.13232	100.0
223.14766	28.0
235.14871	5.5
239.14337	2.2
241.15791	1.7
281.15436	9.5
283.16986	2.2
371.19943	3.4
414.24472	1.9
474.26416	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	2.9
58.06585	13.5
59.07371	4.3
60.08148	4.3
62.90075	3.2
63.72837	3.0
72.54147	3.3
88.43134	3.6
92.84382	3.5
99.47987	3.5
101.04902	3.2
144.10220	5.1
236.14932	100.0
312.15958	4.5
428.85269	4.8
449.09726	3.9
474.37997	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1941
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
51.18152	0.7
52.52680	0.7
68.69189	0.8
70.05753	0.8
74.55651	0.8
77.63585	0.8
78.25896	0.8
83.08610	1.1
95.08575	1.0
111.08096	1.0
166.39697	0.8
169.16464	0.8
173.09650	1.1
173.25674	0.8
175.03673	8.7
193.47939	0.8
204.07561	4.5
219.06343	1.6
222.73587	1.0
234.07208	0.9
239.14421	0.9
263.08905	12.4
277.10452	11.8
327.19211	1.0
457.29343	4.3
475.19394	100.0
475.30496	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	475.1939
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
55.68296	0.7
59.42351	0.7
60.35546	0.7
60.37552	0.7
60.51719	0.6
72.59196	0.8
131.80045	0.9
175.03648	9.8
204.07651	3.2
219.06259	1.2
229.48994	0.9
263.08899	8.7
277.10480	8.8
391.83932	0.8
475.19382	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	475.2149
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
59.67476	0.5
60.55250	0.5
74.14358	0.6
98.94204	0.6
120.49023	0.5
153.91357	0.5
185.04164	4.8
295.15161	2.9
306.45459	0.6
313.16187	8.7
336.86969	0.6
347.09500	8.4
404.28757	0.6
445.78632	0.6
457.20575	2.4
475.21512	100.0
475.32489	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	475.2149
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
65.00639	0.6
69.03397	0.8
76.19905	0.6
78.93011	0.7
81.03389	0.6
85.02898	0.8
91.05480	0.7
93.07021	0.9
109.28240	0.6
117.00887	0.6
123.04368	0.7
135.11806	0.7
147.07996	0.6
155.08537	0.7
169.10098	0.7
183.11703	1.0
193.10161	0.8
194.10889	1.1
195.11632	1.2
197.09691	0.8
209.13312	2.7
211.11055	1.9
218.08101	0.8
219.11607	1.2
234.14197	0.8
235.11127	1.1
237.12692	5.1
249.16507	0.8
253.08807	0.8
253.12134	0.9
255.13876	0.9
266.13052	0.9
267.17346	1.5
276.02972	0.6
277.15744	1.1
295.17004	3.2
297.14603	0.8
299.13910	3.0
313.17899	1.6
315.15912	0.9
363.08954	21.3
365.10458	0.7
411.19354	0.9
415.21152	0.7
441.16125	0.7
457.19687	4.3
475.21466	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	475.2151
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
59.89663	0.4
72.08144	0.8
84.16938	0.4
88.16248	0.5
96.68970	0.5
100.68218	0.5
109.88336	0.5
185.04164	0.6
203.05269	0.6
295.14890	1.1
313.16174	18.1
347.09415	2.9
475.21484	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	475.2303
Annotation	Caesalmin C
Peak:m/z	Relative Intensity
52.67882	0.7
55.47275	0.6
61.47900	0.7
67.05479	0.7
70.61717	0.9
81.55676	0.8
93.07042	1.0
137.05959	1.3
178.88982	0.8
243.14703	0.8
298.01547	0.8
324.29956	0.9
339.15634	1.4
355.18689	5.2
415.20947	14.4
475.22989	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	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85286	3.5
53.37416	3.6
63.82390	4.1
66.50368	4.5
66.64072	4.5
67.05498	9.3
69.03416	6.0
69.07044	5.2
74.98940	4.1
75.40801	4.0
79.05466	7.5
81.07062	18.9
83.01323	11.5
83.04958	7.1
91.05462	19.3
93.07044	38.5
95.04939	8.2
95.08599	17.9
97.06516	18.0
99.04457	35.4
105.07042	46.9
107.04960	10.1
107.08584	20.6
109.06523	8.5
109.10162	7.9
111.04415	8.8
117.07024	20.0
119.04993	7.6
119.08594	39.5
121.06511	20.1
121.10146	38.4
123.08057	17.5
123.11682	5.7
125.05997	5.5
129.06955	11.2
131.08549	27.0
133.06528	8.4
133.10146	25.2
135.08058	24.3
135.11745	9.5
136.06117	4.8
137.05988	27.4
139.11121	4.9
142.07762	5.2
143.08578	29.9
145.10117	34.5
147.08028	20.2
147.11719	17.4
149.09619	19.7
151.07553	34.5
155.08546	11.1
156.09413	5.7
157.10109	19.8
159.07968	5.7
159.11687	22.4
161.06146	4.6
161.09615	18.6
161.13100	5.3
163.07509	15.7
163.11174	6.5
168.09344	5.0
169.10104	9.8
171.07927	7.2
171.11690	29.8
173.09647	11.4
173.13254	11.7
175.07620	6.9
177.09128	11.2
181.10156	9.5
183.11714	30.5
185.09595	8.8
185.13222	7.6
187.11189	8.4
189.09036	9.5
191.10677	11.2
193.10114	9.7
195.11716	17.5
197.13232	20.4
199.11224	8.4
199.14847	10.9
201.09145	6.3
201.12823	6.7
209.13277	8.2
211.11160	8.3
215.14557	5.7
219.11861	5.7
223.11098	7.9
225.12820	8.8
229.12123	9.5
239.10698	7.2
239.14409	6.3
239.17918	5.4
243.13730	6.2
247.11349	5.5
249.16525	5.7
253.12344	6.0
267.17484	27.1
271.16904	5.8
277.15842	17.8
285.18478	38.1
295.16821	54.9
313.17987	100.0
327.19632	11.4
331.19107	22.7
355.19049	44.4
373.19907	9.6
415.21118	7.0
433.22339	7.5
475.22440	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	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.9
55.69802	4.7
60.52172	4.2
67.05515	7.2
69.03418	5.8
69.07040	7.2
74.57165	4.6
79.05488	9.5
81.03400	10.0
81.07056	5.4
91.05475	22.8
92.18484	8.4
93.07053	22.9
93.86309	5.4
95.04951	22.4
95.08608	19.8
105.03403	9.4
105.07030	53.9
107.08601	37.0
109.06524	7.3
117.07060	9.6
119.08576	73.4
120.48103	4.0
121.06529	8.6
121.10158	16.8
123.08078	6.8
123.98935	4.3
129.06949	6.0
130.68126	4.6
131.08536	25.1
132.31325	4.6
133.06454	10.6
133.10132	27.7
135.08023	9.2
135.11682	5.0
143.08539	10.9
145.06488	10.4
145.10147	22.2
147.08025	26.0
149.09607	10.8
155.08513	11.1
157.10138	23.2
159.08098	22.3
159.11642	7.9
161.09590	38.3
161.13246	17.5
163.11176	26.0
163.64293	5.1
167.08612	6.0
169.10129	25.8
171.07979	7.5
171.11678	18.4
173.09622	10.4
178.31258	4.8
181.10178	21.9
183.11699	38.9
185.13310	6.7
189.12752	39.8
193.10095	6.3
195.11691	22.3
197.13283	21.4
199.11166	7.7
206.10962	5.1
207.11705	20.8
208.12259	5.2
209.09560	6.7
209.13214	26.5
211.11201	9.9
213.12721	7.3
219.11694	8.4
223.11163	5.8
223.14842	7.5
224.15704	9.1
225.12787	21.6
225.16374	28.0
227.14276	8.3
230.87370	4.7
234.13942	5.8
235.11024	7.0
235.14868	4.9
239.17921	18.5
249.16306	6.8
251.14104	4.8
252.15135	7.5
265.15823	100.0
267.17365	87.3
277.15976	23.5
285.18561	11.3
293.15375	5.5
295.16898	87.5
313.17911	21.1
341.10641	5.9
355.19022	26.0
373.20081	79.4
415.14365	9.3
415.21036	20.8
475.23459	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76360	4.9
58.55359	4.4
60.39867	4.5
61.68667	4.1
69.03417	6.7
75.07802	4.7
76.80686	4.8
79.05486	6.3
95.04912	6.9
95.08588	8.1
104.53127	5.4
105.07015	24.2
107.08595	8.5
109.10136	7.2
111.41166	5.1
115.17487	5.4
116.20876	5.2
119.08615	10.8
123.08049	10.8
129.07008	9.1
131.08580	24.1
133.06485	6.9
137.09596	9.6
141.06981	7.6
143.08600	44.1
145.06392	7.0
145.10094	10.4
147.08015	12.0
154.07840	11.2
155.08586	41.3
155.33725	5.7
157.10161	13.7
159.08006	9.4
159.11667	7.4
167.08571	23.5
169.10135	100.0
171.08040	10.1
171.11691	10.9
173.09602	9.0
179.08586	23.7
181.10094	24.6
183.08051	6.6
183.11674	25.8
185.09659	21.6
187.11096	9.7
192.09323	7.8
193.10065	8.8
194.10974	7.4
195.11607	26.4
197.09607	97.7
197.13210	25.9
199.11235	13.8
207.11707	26.6
209.13144	9.1
211.11203	34.3
211.14806	8.8
213.12755	8.6
219.11617	9.1
221.13307	11.3
223.11226	12.0
223.14836	12.8
225.12712	27.3
234.13948	13.0
235.11223	9.3
237.12643	7.4
241.15842	6.7
249.16478	10.0
251.14461	6.3
253.15846	10.8
265.15933	7.2
267.17474	29.2
277.15927	26.4
278.69818	5.8
285.18387	7.3
295.16931	85.8
313.17920	49.3
355.19104	10.8
371.80328	5.8
373.20145	27.2
400.41437	5.9
415.20914	8.1
443.42163	6.0
475.23483	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	475.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87688	3.0
55.05485	5.2
60.76897	3.1
67.05499	4.4
69.07054	5.8
72.50583	3.8
79.05489	6.5
81.07038	5.5
91.05456	5.0
92.17918	4.7
93.07035	16.5
95.04939	3.9
95.08607	7.9
97.06516	3.8
105.07031	19.6
107.05015	4.2
107.08583	16.5
109.09310	3.2
109.10136	6.3
111.08106	3.7
117.07012	4.6
119.08591	19.5
121.06513	8.2
121.10140	14.0
123.08032	5.1
131.08588	14.4
133.06468	7.2
133.10146	6.5
135.08047	18.7
137.09660	4.3
143.08563	15.9
145.06552	4.4
145.10129	7.4
147.08124	6.6
149.09581	6.1
155.08557	15.3
157.10143	13.2
159.08041	7.9
159.11668	7.3
161.05994	4.0
161.09599	7.7
163.07555	4.6
169.10150	23.4
171.11642	7.2
173.09644	5.5
175.11177	8.0
176.36212	3.6
177.09053	5.6
179.08598	6.2
181.10112	15.2
182.10774	4.5
183.08022	6.2
183.11681	34.5
185.09650	16.3
187.11172	13.3
193.10158	8.1
195.10007	3.7
195.11732	8.3
195.79376	3.6
197.09654	22.9
197.13251	8.2
199.11122	7.8
205.10260	4.1
207.11684	21.7
209.13225	13.7
210.10455	5.1
211.11224	49.9
211.14803	14.9
215.10710	4.6
215.14099	4.0
219.11717	5.6
220.12372	6.5
221.13286	6.5
222.13658	4.3
223.11136	7.3
223.14706	5.4
224.11926	4.9
225.09081	5.7
225.12741	47.7
225.16422	6.7
227.10652	6.3
229.12329	5.2
235.11150	4.6
235.14722	7.5
237.12900	4.5
239.10683	5.6
239.14297	4.7
239.17986	4.2
241.15758	4.2
243.13728	13.0
249.16402	14.5
251.14201	4.9
253.12334	24.6
253.15749	18.7
267.17450	32.6
271.13232	7.3
271.16995	6.4
277.15945	19.0
285.18500	17.9
295.16882	66.1
313.17917	66.1
331.19092	22.1
355.19095	21.2
366.03107	4.1
373.20081	39.7
415.21130	6.5
433.22287	100.0
475.22403	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	475.2327
Annotation	Caesalmin C
Peak:m/z	Relative Intensity
58.14501	12.3
68.68601	10.8
69.07063	14.3
71.84079	10.0
75.44451	11.6
92.18536	13.3
93.07061	22.3
95.08657	15.0
99.81760	10.6
105.07047	29.8
107.08622	16.8
109.78498	11.6
111.08098	13.4
119.08543	17.4
121.06541	19.6
123.08010	19.1
135.08023	47.4
143.08633	15.6
143.16742	14.3
145.10182	19.1
149.09593	15.8
159.11714	14.0
161.09656	17.5
169.10158	26.6
183.11656	23.6
187.11284	18.1
199.11166	19.3
209.13339	12.9
211.11232	48.1
225.12772	59.7
253.12283	18.1
267.17484	28.7
277.15668	20.8
285.18503	21.9
295.16940	100.0
313.17960	93.8
331.09494	13.3
331.18890	22.5
341.29083	14.7
355.18875	20.9
373.20184	62.4
415.20972	19.1
433.22327	28.5
457.29645	29.8
475.23160	19.4
475.30707	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31237	4.1
62.87855	3.5
65.62616	3.7
67.05508	10.0
69.03392	4.1
79.05481	19.0
81.07035	7.5
91.05459	6.9
93.07019	17.3
95.04951	20.5
95.08607	8.5
95.17486	4.2
104.71175	3.9
105.07018	23.0
107.04954	9.5
107.08588	10.0
109.06491	6.7
109.10136	20.9
111.04453	6.6
119.08508	33.5
121.06493	20.3
121.10151	24.4
123.08025	6.5
131.08540	21.8
133.06459	6.8
133.10121	25.7
135.08060	20.0
137.09579	20.8
143.08545	20.6
145.10133	18.7
147.08025	22.8
147.11635	7.7
147.49179	3.9
149.09607	21.3
157.10138	8.1
159.11671	18.1
160.08839	4.4
161.09586	16.0
163.07393	5.5
163.11194	5.7
166.07762	5.3
169.10136	5.8
171.07947	8.0
171.11732	22.0
173.09608	18.7
175.07457	5.7
175.11130	6.5
183.07980	7.6
183.11676	17.4
185.09685	15.2
187.07574	4.5
187.11169	6.6
189.09160	5.1
189.12666	5.1
195.11653	8.2
197.09610	10.3
197.13235	23.1
199.11163	6.4
201.12724	8.2
203.10750	5.6
205.12218	10.0
206.10857	6.7
207.11568	14.9
209.13197	7.8
211.11166	17.8
211.14929	6.7
217.12242	5.3
219.11673	7.5
220.12631	5.3
223.11209	5.0
225.12671	17.3
226.13828	4.2
227.14265	5.6
231.13757	4.7
239.10681	4.9
239.14230	4.9
267.17493	37.6
277.15897	20.4
285.18533	23.6
295.16888	66.5
313.17969	100.0
331.19055	7.5
355.19012	54.7
373.20087	30.6
415.21216	19.9
433.22009	9.3
447.28705	5.5
475.09491	4.6
475.23273	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76126	2.3
54.72301	2.7
55.05511	16.6
57.18930	2.9
67.05483	3.0
69.07046	6.7
77.03931	3.1
79.05503	42.8
81.07048	6.9
83.04987	47.5
91.05477	13.6
92.18516	7.0
93.07014	15.1
95.04956	15.4
95.08609	12.6
97.06524	7.3
105.03403	3.5
105.07011	17.1
107.04966	40.8
107.08598	21.7
109.06516	17.7
109.10131	12.7
111.04437	44.8
117.06995	3.7
119.08571	26.4
121.06456	15.1
121.10133	20.4
122.81792	3.3
123.08055	18.9
125.05915	4.2
129.06999	5.7
131.08553	14.5
133.10109	14.8
135.04405	20.3
135.08052	26.0
137.09602	19.3
143.08569	28.2
145.06461	3.8
145.10115	17.0
146.26743	3.3
147.08041	6.3
147.11743	3.2
149.09601	32.3
151.11180	6.2
153.05455	42.1
155.08482	5.7
157.10098	15.0
159.08032	12.7
159.11667	12.0
161.09631	15.5
163.07471	4.1
163.11192	13.0
169.10129	15.8
170.10889	6.8
171.07922	5.0
171.11685	14.2
173.09653	10.9
175.07472	5.8
175.11172	13.0
177.09091	6.4
177.12689	5.9
179.08531	4.1
181.10118	4.5
183.11687	5.7
185.09712	4.3
185.13287	18.9
187.11176	11.3
189.09044	4.2
189.12794	12.0
193.10133	4.7
195.11707	6.6
197.09572	4.5
197.13240	4.4
199.11192	6.3
201.12869	4.4
203.10634	3.4
203.14565	2.9
205.12212	64.5
207.11842	4.7
209.13304	3.4
211.11180	6.8
213.12730	18.2
215.10609	4.7
217.12187	5.6
225.12680	6.5
231.13799	18.8
234.14117	4.0
249.16405	4.5
251.25610	3.3
253.15671	3.9
267.17493	13.5
273.14780	5.5
277.15823	7.4
285.18423	17.2
295.16891	30.6
313.14371	4.1
313.17960	100.0
355.19031	68.0
365.79285	3.2
373.20120	50.8
397.20645	3.4
415.21011	7.5
475.23334	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	475.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	5.1
57.07828	4.7
57.10373	4.6
67.05508	7.0
69.07050	4.9
76.48103	5.0
81.07047	6.0
92.18555	11.0
93.07073	17.1
97.06541	75.8
105.07008	12.0
107.04942	12.2
109.06500	7.1
119.08598	5.7
121.07870	5.7
131.08565	11.6
133.10284	6.4
145.10100	7.1
155.08615	7.7
157.10129	30.6
159.08081	8.1
165.09071	38.1
167.08556	12.1
168.62149	5.6
169.10138	25.0
173.09608	10.6
179.08548	12.7
181.10109	29.0
183.11642	6.5
185.09621	11.0
192.60886	4.9
193.10120	35.6
195.11809	10.4
197.09615	93.4
199.11166	24.7
205.10196	8.2
206.10826	7.2
207.11572	26.8
209.13202	25.3
211.11195	21.7
215.10593	10.3
219.11690	12.0
220.12469	8.1
221.13345	7.4
222.13638	20.7
224.72299	5.5
233.13129	8.5
234.14046	6.3
235.14799	40.1
237.12720	9.1
249.16328	9.5
251.14268	34.7
253.15872	59.4
267.17480	12.4
277.15826	38.4
295.16901	100.0
313.18005	52.7
316.33215	7.3
328.16638	6.9
355.19049	24.6
373.20081	6.7
415.20966	7.7
424.99744	5.4
431.20563	11.1
457.32947	6.4
473.25320	5.9
475.22867	81.5
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
50.27221	5.3
51.28418	5.0
67.05503	11.1
69.07057	13.2
79.05485	8.6
83.08610	13.6
95.08588	10.2
97.06501	7.3
105.07032	23.6
107.08588	8.5
109.10225	10.2
117.49136	5.5
121.06447	9.6
121.10127	15.5
129.06979	11.7
131.08557	25.6
133.10057	6.2
137.09587	7.8
141.07011	9.6
142.07785	8.5
143.08542	75.1
145.06453	7.6
145.10101	8.3
147.08090	8.3
149.09625	9.7
154.58482	7.2
155.08572	51.5
156.09286	8.8
157.10158	37.2
159.08026	14.0
159.11673	12.2
161.09573	9.8
165.06970	8.2
167.08546	30.0
169.10123	75.3
171.08049	54.3
171.11681	43.1
173.09613	13.3
175.11134	7.6
179.08559	10.0
181.10054	30.3
183.11667	36.1
185.09599	11.4
187.11197	27.3
192.09370	24.4
193.10092	25.7
194.10895	11.7
195.11688	39.6
197.09578	44.4
197.13205	24.2
199.11205	43.6
201.12593	6.9
207.11685	54.1
208.12442	9.8
209.09619	12.2
209.13284	26.1
211.11185	27.8
213.09038	8.1
215.10628	30.5
223.11098	11.2
223.14832	13.2
225.12709	51.5
234.13991	8.2
235.11156	10.9
235.14783	7.2
237.12813	25.3
239.14229	9.4
239.17953	6.7
241.12144	7.2
241.15865	7.9
249.16374	11.5
251.14311	12.7
253.15688	10.8
253.37238	6.2
262.13522	8.2
265.15985	8.2
267.17374	46.1
269.15338	29.2
277.15906	33.2
283.16910	14.0
295.16953	100.0
313.18018	64.8
355.18896	9.2
373.20041	34.1
420.54544	6.5
433.22012	9.6
475.23096	57.9
497.73904	8.1
500.17859	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	475.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97828	6.5
63.99592	6.0
67.05531	12.4
69.07066	11.0
84.69652	7.0
95.08587	7.1
97.06496	6.0
105.03350	6.3
105.07011	26.1
107.08551	7.3
119.08556	13.6
123.08080	10.2
131.08591	10.2
137.09560	7.1
141.06995	12.3
142.07832	9.6
143.08566	32.0
145.10075	23.6
154.07762	11.9
155.08571	36.0
156.09399	9.8
157.10136	14.4
159.08083	7.9
159.11629	9.0
167.08577	12.1
169.10123	100.0
171.08022	14.4
171.11737	15.1
173.09569	12.5
179.08557	41.9
181.10063	7.5
182.11057	7.2
183.08099	6.7
183.11696	29.4
185.09610	13.9
193.10127	16.8
195.08083	6.9
195.11690	34.3
197.09595	99.8
197.13246	16.4
199.11160	33.5
199.27716	7.9
205.24223	6.8
206.11031	11.5
207.11719	17.1
209.13284	16.5
210.10634	6.9
211.11232	25.0
213.12790	8.7
215.10814	8.5
219.11705	16.3
220.12584	9.6
221.13205	30.4
223.11183	9.4
225.12692	12.6
225.16376	7.5
235.14871	12.7
249.16370	14.1
265.16052	9.6
267.17450	38.9
277.15884	27.8
283.17001	10.0
285.18387	10.1
295.16934	92.1
313.18127	54.4
336.53461	7.4
373.20139	16.8
431.73480	8.5
461.78085	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	475.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
56.05836	1.6
57.07074	1.9
59.05001	1.4
67.05488	5.8
69.03411	7.2
69.07064	12.7
72.84818	1.5
79.05477	7.7
81.03414	1.8
81.07043	9.0
82.56430	1.7
83.04974	3.3
83.08614	29.1
84.08947	8.6
84.21168	1.5
84.93820	1.3
91.05457	8.8
93.07025	13.1
95.04959	3.7
95.08601	11.3
97.10161	13.7
98.10490	3.1
101.09719	1.5
105.07024	17.5
107.08595	18.2
109.06521	2.4
109.10184	14.4
109.44077	1.5
110.10471	2.9
110.49086	1.4
119.08586	26.6
121.05363	1.5
121.06454	2.8
121.10146	11.9
123.08080	3.5
123.11724	1.5
124.08372	1.5
125.09618	1.7
127.11203	2.1
128.06281	1.6
129.06984	1.9
131.08549	9.4
133.06453	3.4
133.10129	15.9
135.08049	7.2
135.11676	8.6
136.11971	1.6
137.09561	2.5
138.88286	1.4
143.08539	7.5
145.06473	1.9
145.10100	12.4
147.08025	8.7
147.11668	1.9
149.09622	6.1
151.07509	2.4
153.12766	2.9
155.08562	6.3
157.10135	7.0
158.10681	1.6
159.08060	7.0
159.11664	7.6
161.09619	12.5
161.13283	6.6
163.11148	3.5
165.31532	1.5
169.10109	10.9
171.11725	7.3
173.09627	9.6
173.13162	4.9
174.09975	2.6
179.08563	2.0
181.10083	7.6
183.11696	8.2
185.09665	2.9
185.13318	5.9
187.11247	2.2
189.09088	2.9
189.11212	1.7
189.12724	15.2
191.10651	2.4
192.10989	2.2
193.10150	2.9
195.11693	2.8
196.12439	1.7
197.09392	1.5
197.13194	11.2
199.11099	3.3
206.10863	2.2
206.12659	1.6
207.11671	6.5
208.12566	2.2
209.09758	1.8
209.13254	7.4
210.13705	2.0
211.11086	6.7
213.12737	2.0
214.13235	2.5
219.11685	2.7
221.13202	3.3
223.14813	6.9
224.11807	1.7
224.15576	3.1
225.12772	6.4
225.16348	3.1
226.13159	1.5
231.13722	3.5
232.14128	5.8
233.14357	2.1
234.14046	2.9
237.12766	2.6
237.16275	2.1
239.17923	3.4
249.16653	2.7
250.15221	5.3
251.15497	2.6
253.15842	1.7
260.20331	1.7
265.15854	33.7
267.17429	25.7
277.15829	6.0
283.16882	5.8
284.17377	5.9
285.18021	6.6
295.16913	28.5
295.20013	2.9
297.15219	1.7
301.17920	9.0
302.18509	24.4
303.18701	15.5
304.19800	2.0
313.17950	6.3
315.22247	2.5
332.23212	2.1
333.23416	6.3
336.48523	1.6
355.18951	8.9
373.20004	23.2
413.30521	10.1
415.21017	9.0
421.30188	2.3
439.31165	10.4
457.32236	54.5
475.23480	24.3
475.33600	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	475.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	6.4
69.03431	6.3
69.07076	5.9
79.05507	6.5
81.07056	28.6
91.05486	17.1
93.07029	17.2
95.04978	9.1
95.08627	30.8
99.08091	6.6
105.03399	100.0
105.07029	32.6
107.04958	4.8
107.08609	30.9
109.06541	5.7
109.10149	17.2
110.90402	4.0
117.06970	4.9
119.08589	34.2
120.06084	4.5
121.06499	18.8
121.10162	30.1
123.08080	17.9
129.07021	7.3
131.08560	18.6
133.06497	17.6
133.10130	24.1
135.08049	10.0
135.11679	9.3
137.09637	6.9
140.94217	4.0
141.09164	4.1
143.08563	29.2
145.06494	7.1
145.10124	30.3
147.08031	16.7
147.11690	7.8
149.09650	8.0
155.08595	9.8
157.10112	8.0
159.08035	18.2
159.11668	5.7
159.67673	3.8
161.09619	17.7
163.11189	16.9
167.08603	5.4
169.10078	23.0
171.11682	9.4
173.09599	9.4
175.07545	5.5
177.09164	6.7
179.08580	7.4
181.10175	19.6
183.07997	5.6
183.11716	17.3
185.09615	16.9
187.07578	5.3
187.11163	10.0
192.09361	7.5
193.10159	22.0
194.10875	7.8
195.11714	20.8
196.08655	4.8
197.09618	20.1
197.13211	9.0
199.11238	6.8
207.11681	24.0
208.12552	6.9
209.09657	5.4
209.13319	5.9
210.10449	6.0
211.11186	25.0
213.12721	6.1
219.11742	14.3
220.12482	8.6
221.13312	10.1
223.11229	8.2
223.14842	7.5
225.12767	8.2
225.16161	5.9
232.12332	4.7
233.13351	4.5
234.14044	7.0
235.11191	9.2
235.14864	16.4
237.12833	5.1
239.14409	6.6
239.17941	5.9
240.97305	4.3
249.12862	4.6
249.16446	20.3
251.14328	15.6
253.12460	5.5
253.15758	6.9
262.13501	8.3
265.15894	18.5
267.17404	22.4
275.14273	5.5
277.15854	43.1
283.17087	5.0
293.15305	14.9
295.16907	65.4
300.64795	4.2
311.16476	18.4
313.17941	22.4
355.18973	22.3
373.20297	8.9
415.21204	20.0
475.23358	42.4
487.66620	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	475.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36052	2.5
55.05528	4.0
56.52496	2.8
66.72102	3.0
67.05499	5.1
69.07054	6.6
76.64393	2.9
79.05484	4.2
81.07063	6.1
88.41008	3.4
91.05496	7.3
91.77367	3.6
93.07014	5.3
95.04919	3.1
95.08562	5.8
97.06512	2.8
105.07035	26.6
105.35107	3.2
107.08598	17.4
108.26601	2.9
109.06499	4.7
117.06997	4.2
119.08585	22.6
121.06472	3.5
121.10152	4.8
123.08054	7.2
129.06999	4.7
131.08548	11.4
133.06494	7.2
133.10101	5.8
135.08035	28.8
137.09624	5.7
140.92584	3.2
143.08554	5.8
145.06479	4.9
145.10094	7.2
147.08101	6.9
149.09634	7.0
155.08585	14.1
157.10153	11.9
159.08080	13.7
161.09663	11.9
163.03888	6.4
163.11171	6.4
165.22443	3.2
167.08501	6.0
169.10139	22.5
171.08083	6.6
171.11632	6.7
173.09618	6.3
175.07509	3.1
175.11243	12.4
177.09203	6.7
179.08607	7.3
181.10109	13.0
183.08063	14.3
183.11638	22.8
185.09653	5.5
187.11198	7.3
193.10118	14.7
195.11766	5.0
197.09618	23.6
197.13234	17.2
199.11168	15.7
204.09373	3.5
206.10941	4.3
207.04803	3.5
207.11707	22.2
209.09647	5.5
209.13281	15.0
210.10475	4.8
211.11119	41.8
211.14891	4.7
213.12695	4.5
215.10666	5.4
219.11707	12.4
220.12494	6.4
221.13275	6.7
223.11154	6.9
225.12677	30.2
225.16309	7.4
227.10690	5.4
227.14246	5.6
229.12209	3.9
233.13278	5.7
234.13979	11.0
235.11168	6.2
235.14790	22.4
237.12813	14.9
239.10716	6.1
239.14232	5.0
239.17944	7.5
241.12448	3.9
243.13864	11.7
249.16393	18.8
252.11328	4.0
253.12262	28.4
253.15794	24.1
257.15186	3.7
257.42047	3.0
259.14810	3.9
267.17502	27.0
269.15393	6.4
271.13181	4.4
271.16949	5.5
271.70090	3.2
277.15875	37.5
285.18503	12.9
287.16434	3.8
295.16895	74.0
313.14645	6.0
313.17917	58.2
331.19025	25.5
337.18030	4.7
355.18961	18.2
373.20078	39.2
415.21036	7.6
433.22198	100.0
475.23267	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36839	13.0
55.05510	18.0
67.05502	19.4
79.05464	22.0
81.03410	36.3
81.07050	32.2
83.74296	16.2
91.05481	20.8
93.07028	81.4
95.04990	21.9
95.08605	26.7
105.07029	24.2
107.08588	30.3
119.08569	61.3
133.10126	25.5
135.04417	29.7
135.08038	100.0
145.10091	18.3
161.09601	70.6
169.10011	16.6
186.71883	15.4
391.11798	16.4
428.83585	16.0
475.13965	76.6
475.30618	20.0
480.24112	15.3
503.24969	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	475.282
Annotation	Biyouyanagin B
Peak:m/z	Relative Intensity
55.05508	8.3
57.03429	9.8
57.07063	4.2
57.98336	1.5
59.20138	1.5
65.62375	1.8
67.05507	32.5
69.07057	11.7
69.73882	1.5
73.02924	2.0
73.36752	1.5
79.05483	23.5
81.07056	26.1
83.08595	6.8
91.05476	8.4
92.17845	2.1
93.07040	18.2
95.08595	31.7
97.06524	3.9
97.10184	2.6
105.07010	6.9
107.08587	14.7
109.10138	9.3
109.99106	1.6
112.99218	3.3
113.00011	100.0
117.07031	2.4
119.08530	2.6
121.10138	27.1
123.11713	2.5
129.05441	10.4
131.08539	9.8
133.10120	8.1
135.11682	13.3
145.10114	9.9
147.11678	2.6
148.67081	1.6
149.13332	1.9
159.11708	4.1
169.02615	25.4
173.13297	3.2
187.03740	14.9
205.19489	3.0
229.80333	1.9
271.24191	14.1
289.25189	16.3
363.28918	74.9
457.26883	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	475.3054
Annotation	candelalide B
Peak:m/z	Relative Intensity
55.05493	3.4
56.15638	1.5
57.03403	2.1
61.69923	2.0
62.27432	1.6
67.05511	2.4
69.07038	8.8
71.43427	1.8
78.52082	1.9
79.28889	1.7
80.25275	1.7
81.07059	16.1
83.08613	10.5
92.17921	2.6
93.07039	8.5
94.48560	1.8
95.04940	12.3
95.08612	27.1
96.65279	1.9
97.06529	2.7
99.08079	2.8
103.19519	1.9
105.07023	3.1
107.08591	3.1
109.10130	8.1
111.08044	16.6
113.09630	11.5
119.08553	4.8
121.10133	10.7
122.27583	2.1
123.08057	3.4
123.11725	3.4
125.01825	2.0
125.05972	2.4
129.09122	4.8
131.08556	2.6
133.10104	3.0
135.11615	2.0
137.09593	2.8
139.11198	4.0
141.12747	10.2
145.06467	3.5
145.10112	3.5
147.08063	2.9
155.10695	2.7
157.06534	4.1
159.08058	4.2
159.11644	8.6
159.30824	2.3
163.11220	2.3
171.08096	3.6
171.11618	2.1
173.09618	8.8
173.13257	4.2
175.07521	12.2
179.14336	11.0
183.11644	2.8
185.09630	2.2
187.07466	4.7
187.11044	2.6
189.09145	4.0
199.11084	2.5
211.11165	3.0
213.12753	9.6
225.12622	14.4
227.14165	2.6
231.13919	3.1
237.12665	4.4
238.13429	2.3
239.14311	4.5
251.14296	4.6
253.15855	11.1
263.14395	4.1
263.17599	2.5
265.15710	3.5
267.17245	2.5
271.16827	2.7
281.15332	8.6
281.18835	3.9
283.16879	8.1
299.16431	27.9
299.19595	3.5
301.18005	25.1
309.18448	4.0
311.19968	2.9
327.19537	9.2
439.28336	26.3
457.29318	54.1
475.23206	3.6
475.30502	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94894	0.2
51.25928	0.2
52.35487	0.2
55.05505	1.5
57.03431	0.3
69.03411	1.2
69.07066	0.6
71.04968	0.2
81.07051	1.6
83.08624	1.9
85.06540	1.2
87.12126	0.2
89.59879	0.2
93.07051	1.0
95.08606	1.0
99.08081	1.7
105.07018	0.4
107.08612	1.0
109.06489	0.5
109.10182	0.9
111.08026	1.0
119.08573	0.4
121.10135	0.4
123.08060	1.4
125.09650	0.4
127.07552	1.7
130.37250	0.3
131.08542	0.5
133.10150	0.3
135.08136	0.3
135.11650	0.3
137.09613	0.5
145.10123	0.6
147.11707	0.3
149.09602	0.3
151.11206	0.5
159.11728	0.4
165.12801	0.3
171.11789	0.3
173.09604	2.2
173.13297	0.4
175.03636	0.3
183.11659	0.3
185.09691	0.3
185.13377	0.3
189.09082	0.6
191.10704	1.2
201.12845	0.3
207.03613	0.2
209.11612	0.3
209.13423	0.4
209.15318	0.4
213.12674	1.0
215.14409	0.6
223.14888	0.4
225.12874	0.3
227.14252	0.3
231.11778	0.2
231.13737	2.2
249.14738	2.8
253.15923	0.3
255.17667	0.3
265.15955	0.5
283.16922	1.6
295.20447	0.5
301.17926	5.4
302.19086	0.3
311.19965	0.3
313.21698	0.3
315.91660	0.3
329.21063	0.4
331.22781	1.3
371.22098	2.6
373.23965	0.5
381.24115	0.4
399.25189	2.4
421.27670	0.3
436.66956	0.3
439.28122	1.8
450.11343	0.3
457.29404	8.2
475.19522	2.5
475.32501	100.0
497.61569	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	475.3055
Annotation	candelalide B
Peak:m/z	Relative Intensity
55.05502	8.1
63.36886	1.4
67.05479	2.0
69.03419	5.4
69.07043	3.3
71.04980	1.7
72.82514	1.3
81.07056	10.7
83.08604	10.0
85.06536	5.1
93.07017	9.1
95.04947	2.5
95.08592	9.4
95.52640	1.3
97.06480	1.9
99.08073	5.7
105.06995	3.2
109.06505	7.7
109.10138	2.0
111.08056	8.4
113.09590	2.2
121.06461	2.3
121.10114	5.6
123.08048	3.4
125.09565	1.6
127.07483	3.2
131.08568	6.5
133.10144	3.4
135.08070	1.7
137.05928	3.1
137.09607	2.8
141.12741	1.6
143.08533	7.2
143.56554	1.5
145.10117	6.4
147.08012	2.0
147.11659	3.1
149.09528	2.1
151.11163	2.8
159.08008	2.6
159.11696	2.2
161.09607	2.9
161.13231	2.4
163.53819	1.4
167.08594	2.4
169.10054	1.7
171.08080	2.5
171.11688	2.9
173.09576	10.9
173.13268	5.6
175.11110	2.1
177.12715	2.3
183.11696	1.8
185.13155	2.3
187.11156	2.3
189.09084	2.3
189.12750	1.5
191.10696	2.7
195.11729	2.3
197.13226	1.8
199.11136	3.1
201.12695	3.1
209.15425	1.6
211.11040	1.9
211.14795	1.5
213.12755	3.1
215.14241	3.0
223.14667	1.7
225.12634	3.4
226.96298	1.5
229.12225	1.8
231.13739	10.2
233.87433	1.8
235.14906	2.0
239.14372	2.1
241.15839	6.2
249.14822	9.4
251.14249	6.1
252.15120	1.8
253.15797	2.3
255.17462	2.9
265.16080	2.1
269.15335	9.6
279.13690	2.6
281.15234	1.7
281.18961	1.5
283.16925	6.2
287.16431	5.5
291.17508	2.5
297.15063	2.0
301.17935	17.9
309.18320	3.0
327.19504	3.3
331.22781	2.5
337.17957	1.8
371.22131	6.1
373.19946	2.9
373.23959	2.1
391.21149	7.4
399.25317	8.5
421.27524	2.1
439.28308	9.5
457.29486	37.7
475.30539	100.0
493.45206	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	475.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
55.05512	3.3
57.03429	18.7
57.07080	53.8
61.02932	64.2
67.05489	11.8
69.03439	28.5
69.07059	15.0
69.95261	2.9
71.08627	46.9
73.02927	34.4
79.05512	4.5
79.61765	2.3
80.65752	2.7
81.03423	16.1
81.07053	25.7
83.08626	16.5
85.02901	68.2
85.10172	30.6
91.03965	30.9
91.05474	3.1
93.07029	6.0
93.57881	2.6
95.08606	51.7
97.02879	46.2
97.10155	13.2
99.04455	12.9
101.02374	10.4
103.03918	6.0
103.07539	4.0
105.07043	5.5
107.08534	3.3
109.02871	12.7
109.10155	18.6
119.08540	4.0
121.10126	3.9
123.11710	5.7
127.03905	21.5
131.08559	3.9
143.08485	3.0
165.09094	5.4
201.07571	4.0
225.00150	2.8
225.12604	2.7
239.23721	20.3
295.16681	3.7
313.17911	3.2
313.27365	85.7
457.31528	15.9
475.32629	100.0
478.93030	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	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	12.6
57.07066	26.9
59.39270	6.0
61.02922	37.0
67.05499	37.7
69.03426	14.1
69.07063	14.1
69.93910	7.6
71.08601	14.0
72.17181	6.2
73.02911	13.1
74.87783	5.8
79.05479	27.9
81.03434	7.2
81.07043	33.3
83.08613	8.2
85.02905	50.4
91.03932	24.6
91.05497	8.8
91.74419	6.5
93.07044	33.4
95.08595	36.1
97.02873	30.8
105.07018	9.6
107.08575	9.0
109.10123	10.4
119.08630	8.6
121.10132	8.6
133.10176	6.2
313.27432	46.2
448.86456	7.3
475.21649	7.3
475.31653	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	475.3394
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
57.87703	0.9
67.05492	1.6
72.74581	0.8
79.05486	1.4
81.07063	1.6
83.08594	1.0
89.47388	0.9
91.05450	0.8
93.07032	1.8
95.08607	1.1
107.08530	1.2
146.37335	1.0
384.28955	1.0
431.35062	1.2
475.33972	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	475.3417
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
51.00292	1.0
51.78257	1.3
55.05508	1.2
57.07071	2.8
65.63180	1.2
67.05502	2.5
68.54593	1.1
69.07050	8.2
73.73104	1.3
77.63563	1.3
79.05486	1.4
81.07045	6.0
83.08608	2.8
91.05444	1.4
93.07043	2.4
95.08596	8.9
105.07040	1.6
107.08594	5.4
109.10126	13.0
119.08585	2.0
121.10126	2.7
127.11195	1.8
131.08534	1.9
132.76857	1.2
137.13263	8.8
143.08514	1.7
145.10112	2.5
155.08606	2.2
169.09982	1.4
171.11737	2.4
173.09616	6.6
173.13258	1.7
185.13274	3.1
191.10657	2.7
195.11769	1.5
199.11234	1.6
199.14946	1.6
209.13435	1.5
225.12776	2.4
237.16377	2.7
239.14307	2.0
250.13603	1.3
253.15816	2.1
265.15851	2.5
274.55170	1.3
283.16931	18.9
293.19077	1.4
301.17953	100.0
302.18674	3.1
311.20151	9.0
322.53372	1.5
329.20978	19.7
439.32199	3.0
457.33371	17.1
475.34219	66.5
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
52.92621	1.1
57.03439	2.2
61.02919	4.9
69.03435	14.6
73.02910	2.7
81.03402	5.6
85.02908	100.0
87.04473	1.8
91.03959	8.0
97.02903	28.2
99.04430	4.8
109.02883	7.2
123.36522	1.1
127.03904	25.6
129.05475	6.1
135.08086	1.5
145.04956	42.9
163.05981	12.2
325.11331	5.8
476.14273	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	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.8
59.04998	3.4
61.02927	3.8
65.61399	2.1
69.03086	4.0
69.03432	69.5
73.02920	33.6
85.02908	67.1
87.04470	56.6
97.02899	69.9
101.07276	2.6
105.07045	4.4
109.02895	5.4
115.03928	79.7
124.05209	6.4
127.03928	10.7
133.04955	61.8
133.06520	11.9
137.05977	35.9
144.06552	2.9
145.04967	10.8
150.07596	11.9
162.13438	3.0
165.07817	5.6
165.09113	100.0
169.96024	3.5
177.09108	4.9
179.20616	2.8
210.89468	2.5
237.87991	2.9
243.10126	3.8
259.08228	5.2
295.10120	10.6
322.86844	2.4
337.08286	2.6
474.64474	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	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51573	1.6
57.03442	22.0
59.04984	2.7
61.02934	7.8
69.03429	36.7
71.01311	2.2
73.02917	49.8
76.69005	1.8
80.61888	2.1
81.03405	2.4
83.08621	2.9
85.02901	47.0
87.04480	23.6
97.02893	55.3
105.07018	3.7
109.02883	3.1
115.03923	54.4
115.40868	1.8
124.05199	8.8
127.03924	12.6
129.09102	9.5
130.30997	1.8
133.04991	24.9
133.06497	4.6
137.05986	36.8
145.04924	9.2
150.07556	2.8
165.09109	100.0
177.09102	8.3
179.24423	2.1
189.09146	2.6
193.35181	2.0
200.44553	1.9
209.79794	2.2
223.06027	3.5
231.10004	2.9
259.08109	6.9
261.11209	3.6
295.10309	8.0
296.16876	3.2
311.02029	2.2
314.18103	2.9
356.18839	2.5
416.21033	3.0
434.22269	3.2
476.22778	23.5
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
50.99254	0.6
53.54567	0.7
53.55505	0.7
69.03415	4.0
71.05003	1.1
71.08628	2.0
73.02965	0.9
79.05482	1.0
81.03425	1.9
83.04981	1.0
85.02905	5.7
96.08129	1.8
97.02894	4.4
99.08073	4.2
100.97215	0.9
106.05906	1.5
106.06553	24.2
106.96185	0.9
108.08115	28.7
108.46564	0.9
109.02868	1.8
111.54221	0.8
115.03875	0.8
117.09110	7.8
123.06821	2.1
124.07577	16.5
126.67065	0.7
127.03937	4.7
134.06015	15.3
136.07570	18.9
145.04968	1.2
147.04376	1.1
150.18298	0.8
152.07065	84.6
163.03909	2.1
164.07092	4.1
170.08096	25.5
182.08151	1.4
314.12302	1.3
413.29529	1.0
458.20309	4.7
476.21295	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69756	1.4
56.80655	1.3
57.03436	7.3
59.05007	23.8
64.75308	1.1
69.03416	5.6
69.91322	1.3
71.04991	77.5
75.04472	3.2
83.04967	8.3
84.71876	1.4
85.02905	99.9
87.04482	2.0
89.74242	1.2
91.05478	1.5
93.36015	1.2
95.55841	1.3
97.02882	3.4
99.04438	2.3
101.06014	12.9
101.21457	1.3
105.07008	14.0
109.10182	1.4
111.04453	6.7
111.82542	1.7
115.03924	2.8
119.08605	1.3
127.03902	5.7
129.05469	100.0
129.06429	3.2
133.10117	17.7
137.06006	5.2
145.04967	2.3
145.10146	5.3
147.06514	23.1
151.07524	3.0
153.15181	1.4
159.11731	2.0
163.07552	6.6
164.09192	6.9
173.13257	9.3
175.11229	1.6
207.11836	1.6
219.13722	1.8
233.15314	5.7
247.13190	1.5
255.08548	2.6
273.09723	6.9
279.15875	46.3
291.10748	9.8
296.17380	3.2
302.18298	1.6
309.11908	7.7
439.26605	1.8
442.71198	1.6
476.23260	7.1
476.34232	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.0
55.05522	8.9
57.03435	7.1
59.50341	1.3
67.05169	1.6
67.05508	35.1
69.07067	10.4
79.05492	15.7
81.07059	35.1
83.08604	2.4
85.02876	1.2
91.05478	7.6
93.07041	23.6
95.08600	31.7
95.99673	1.3
105.07014	2.3
107.08569	11.6
109.10138	10.3
119.08560	5.2
121.10130	12.3
123.11713	5.5
131.08563	2.3
133.10104	2.8
135.11671	5.6
145.10141	2.3
175.30986	1.2
270.93048	1.2
335.25766	100.0
349.16968	5.5
351.08749	1.4
476.27420	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	476.2771
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
55.05502	7.0
55.94127	4.9
61.90365	4.7
62.06097	42.3
62.46030	5.1
66.89777	5.3
67.05496	31.9
67.63868	5.5
76.58855	4.8
79.05494	24.7
81.07051	36.5
91.05484	12.0
91.53467	5.3
93.07045	37.2
95.08605	39.2
98.98431	7.7
105.07019	24.4
107.08581	11.7
109.10141	11.6
112.07481	5.5
112.31990	7.3
119.08568	6.1
121.10107	7.9
135.11688	5.9
147.11722	7.7
149.13342	7.2
175.43512	5.6
210.21935	5.1
225.98416	5.5
321.81564	5.8
335.25854	100.0
344.71048	5.9
458.26694	51.6
476.26776	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20250	1.0
73.06548	1.4
85.34227	1.3
87.04472	7.5
89.06030	100.0
93.39199	1.0
131.07034	1.1
133.08607	33.5
156.17215	1.2
171.06030	1.1
177.11227	10.3
221.13974	1.5
233.90553	1.1
308.77512	1.3
415.25452	1.6
428.53134	1.2
459.27997	57.9
476.20639	12.4
476.30756	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	477.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28490	1.0
81.03418	2.0
85.61037	1.1
106.02904	7.8
109.02866	2.5
109.64860	1.1
117.48141	1.1
119.23766	1.1
124.03969	9.1
125.04262	3.0
154.75711	1.2
176.97409	1.3
181.56987	1.3
250.07118	2.1
268.08121	4.3
283.16245	1.3
312.60175	1.2
373.11169	1.6
381.55652	1.2
403.12112	35.5
431.13889	4.9
459.14716	7.0
477.15726	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	477.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39592	1.8
57.03451	2.9
57.06767	2.0
71.04987	27.1
73.02905	2.4
85.02903	30.3
88.84994	2.3
95.08592	8.9
113.09689	2.3
119.04964	3.4
119.34648	2.0
125.72716	2.1
129.05457	4.3
137.05966	100.0
143.04863	2.2
145.06482	2.9
149.06001	2.8
151.07521	34.1
157.06456	4.1
161.05974	12.5
163.07521	11.1
165.09167	3.1
170.79384	2.1
175.07545	25.3
177.05441	8.1
177.09125	2.1
189.09068	17.5
195.08226	3.3
195.10184	11.2
199.07649	4.8
201.09053	2.2
203.06999	2.6
203.10645	2.1
217.08633	2.6
219.10086	4.1
221.09802	2.8
227.10617	9.2
249.09065	2.5
253.08406	2.5
255.10194	7.4
283.16818	2.3
287.12729	4.8
301.17914	12.0
305.11621	2.9
309.11026	3.0
311.12839	3.3
313.14304	4.4
321.11038	3.4
331.15323	10.7
343.15344	4.3
355.15375	5.0
365.13992	2.7
367.15244	16.5
385.16339	8.5
423.17941	4.9
431.56952	2.2
441.29971	3.3
459.30823	2.7
477.32391	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	477.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65972	0.9
58.02887	1.0
67.05512	1.2
69.03422	1.2
69.07052	2.1
79.05453	1.3
81.03430	1.9
81.07059	1.1
91.05445	2.6
93.07024	1.8
95.04981	11.8
95.08586	1.1
96.64118	1.3
105.03391	100.0
105.04509	3.0
105.07015	6.8
107.08597	2.2
117.07058	1.5
119.08553	5.0
121.06499	10.5
131.08597	2.0
133.06485	2.1
133.10158	1.4
135.08055	7.6
141.06982	1.8
143.08528	1.9
145.10118	1.4
147.08026	2.2
147.61594	1.0
149.09619	2.0
150.25548	1.3
155.08559	1.4
157.10143	1.9
159.08081	4.0
161.09598	6.6
167.08533	2.5
169.10123	2.3
173.09573	2.5
175.11137	1.4
181.10136	2.4
183.11728	2.5
185.09621	1.9
187.11243	1.6
193.10141	2.2
194.10695	1.5
195.11725	4.5
197.09569	4.6
197.13336	1.2
199.11246	1.5
201.09032	1.2
207.11674	5.5
209.09491	1.6
209.13190	4.3
211.11261	5.8
213.12602	1.3
219.11691	2.5
220.12418	1.4
223.11154	1.8
224.15402	1.3
225.12753	7.3
234.14078	2.0
235.14873	1.9
237.12701	2.5
247.11130	1.8
249.16350	2.5
252.11423	1.4
253.12259	2.2
253.15956	2.7
267.17343	6.8
277.15900	9.1
295.16904	17.2
313.17883	10.8
355.19165	5.4
417.20624	2.7
435.22223	1.3
460.27835	1.2
477.23105	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	477.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94389	5.8
52.73366	5.9
55.05503	9.9
55.10167	7.7
55.14813	6.7
67.05487	10.7
69.07061	8.7
79.05489	16.6
81.07060	34.7
91.05476	29.9
93.07043	34.6
95.04986	55.8
95.08619	35.4
97.06523	7.8
105.03405	14.4
105.07025	41.8
105.46082	7.6
107.08565	57.1
109.06481	13.9
109.10182	17.5
111.08047	9.0
117.07047	10.3
119.08578	47.9
121.06475	15.7
121.10109	34.0
123.08048	18.4
129.07040	17.0
131.08559	31.9
133.10114	37.5
135.08057	35.5
137.09616	9.6
141.06961	7.5
143.08571	39.4
145.10158	42.9
147.08052	33.6
147.11655	34.8
151.07527	12.0
155.08527	35.6
157.10106	41.8
157.26680	7.3
159.11633	18.1
161.09583	15.5
167.08572	8.2
169.10051	61.3
171.11664	41.4
173.09540	9.1
173.13217	10.0
175.11255	12.4
181.10114	48.7
182.10834	11.0
183.11670	37.2
185.09633	17.3
185.13264	7.7
187.11240	15.8
192.09248	8.7
193.10095	13.3
195.11703	47.0
197.13216	16.6
199.11189	35.1
207.11739	11.9
209.13231	50.4
211.14775	13.3
221.13226	14.0
223.14774	8.5
225.12750	16.0
234.61276	9.6
237.12718	16.1
237.16521	9.0
251.17940	15.0
253.15900	9.5
261.16599	9.6
267.17453	32.3
269.19034	17.1
279.17438	55.2
285.18527	8.2
297.18552	100.0
315.19586	36.4
357.20624	46.7
375.21475	9.7
399.88547	7.4
417.22989	65.5
477.24414	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	477.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20904	6.4
57.58715	6.9
67.72198	6.9
78.61002	7.5
79.05468	14.2
81.07025	12.2
82.35064	7.6
83.08600	11.2
91.05461	36.2
92.18547	11.5
93.07048	38.3
95.04964	15.0
95.08630	16.0
105.07022	66.8
107.08583	49.6
109.10175	33.7
117.07023	15.4
119.08591	94.3
121.10115	16.7
123.08027	10.2
131.08533	41.1
133.06499	12.5
133.10143	59.3
135.08043	100.0
137.09627	17.5
143.08600	38.4
145.10181	17.2
145.85327	9.3
147.08093	37.7
149.09596	78.3
154.07802	8.5
155.08516	15.9
157.10147	37.7
159.08105	9.2
159.11708	11.2
161.09596	49.4
163.11119	13.8
167.08568	8.7
169.10117	40.0
169.48210	10.9
171.08133	9.4
171.11757	13.4
173.09518	9.6
173.97406	8.4
179.08479	17.5
180.09406	7.6
181.10066	14.7
183.07990	13.6
183.11627	30.6
185.13342	10.3
187.11201	18.9
189.09055	9.8
189.12866	10.2
193.09955	9.8
194.10890	11.4
195.07907	8.8
195.11700	52.8
197.09596	13.3
197.13239	11.8
199.11156	14.2
206.10895	34.2
209.09616	14.3
209.13249	45.0
211.14824	34.7
213.09163	16.9
213.17204	8.4
221.13219	53.8
222.10330	8.3
223.11211	15.6
236.11940	7.5
236.15601	13.6
237.12761	15.1
237.16214	10.7
239.14265	73.0
251.17929	47.7
261.16278	12.6
264.15082	19.8
269.18924	14.9
279.17374	88.6
297.18536	96.3
339.19547	32.9
344.32529	9.6
357.20590	12.4
459.19073	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	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47200	5.8
57.07085	5.4
62.43415	5.1
62.50515	4.4
64.56232	4.7
67.05514	10.0
69.07064	8.1
79.05500	13.2
81.07072	11.6
91.05469	19.1
93.07024	22.5
95.08596	21.0
97.06538	10.3
99.77824	6.1
105.03390	20.9
105.07043	48.4
107.08606	35.7
109.06534	7.0
109.10139	19.5
114.55581	5.9
119.08562	31.7
121.10114	19.9
123.08047	29.5
128.06235	5.6
129.06982	11.9
131.08546	33.8
133.10123	30.5
135.08051	12.8
135.11705	6.6
137.09604	24.7
143.08565	43.2
145.10123	28.2
147.08063	25.9
149.09595	12.7
155.08519	44.8
157.10094	44.4
159.08008	13.0
159.11638	10.3
161.09616	25.6
163.11160	9.9
165.06917	7.1
167.08559	12.5
168.09384	7.6
169.10057	51.0
171.11655	36.8
173.09602	22.9
175.11169	6.7
179.08540	24.3
180.09299	7.9
181.10133	46.6
183.11655	46.5
185.09663	8.6
186.18745	5.6
187.11212	7.6
191.10742	6.6
193.10112	20.8
194.11067	5.3
195.11656	43.1
197.09644	11.2
197.13350	22.0
199.11104	37.3
201.12833	11.6
206.10916	5.7
207.11740	28.8
208.12157	7.4
209.09558	7.0
209.13235	52.9
211.11215	9.3
211.14940	11.1
213.12769	8.1
215.14070	5.9
219.11758	6.8
221.13280	27.1
223.11264	10.8
223.14731	9.8
225.12769	11.3
227.14247	10.7
237.12695	27.3
237.16295	8.6
239.14340	10.9
251.17906	26.9
261.16364	7.4
267.17487	44.4
269.18967	36.4
279.17526	63.2
297.18430	100.0
315.19470	36.1
335.82324	5.0
357.20578	38.6
375.21548	9.9
417.22723	32.1
477.24518	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13293	5.9
55.05523	9.3
56.34378	6.1
67.05502	8.4
69.07063	31.7
71.30297	6.1
79.05474	10.3
81.07068	30.2
83.04967	12.8
83.08616	15.6
87.09280	8.9
91.05489	28.7
92.17857	13.8
93.07030	15.5
95.04960	12.2
95.08590	28.7
97.06518	10.5
105.03417	10.5
105.07040	41.4
107.08607	15.6
108.51386	7.5
109.06522	9.0
111.08047	9.8
116.65645	7.1
117.07050	9.9
119.08588	48.6
121.06487	17.6
121.10136	17.9
123.08074	12.9
129.06993	13.4
131.08591	18.5
133.10118	41.9
135.08118	13.2
137.09663	11.5
143.08623	52.4
145.10121	37.5
147.11664	8.5
149.06071	8.4
149.09592	37.6
155.08571	29.6
156.46437	9.5
157.10092	55.3
159.08011	16.0
159.11705	16.5
161.09612	33.4
167.08609	11.6
169.10144	49.3
171.11649	59.5
173.09637	39.0
173.13257	9.4
175.11258	10.6
180.09352	9.2
181.10104	47.4
181.99597	8.8
183.11714	42.8
185.09677	15.6
185.13329	14.2
187.11176	30.1
193.09999	8.1
195.11713	50.2
197.13272	34.1
199.11218	31.8
201.12769	34.3
207.11714	29.2
209.13220	50.7
211.10959	9.0
211.14828	12.4
215.14249	10.8
221.13263	10.2
223.14743	15.3
225.12816	12.9
225.16389	11.7
235.14853	8.1
236.15465	10.9
237.16408	35.5
246.14030	9.2
251.17908	35.2
255.17386	11.7
261.16403	11.2
264.15021	8.2
269.18915	11.7
279.17371	58.9
297.18481	100.0
315.19507	37.2
315.63507	9.5
357.20654	50.3
361.17972	8.0
417.22714	9.2
477.24557	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99857	4.4
56.21984	4.4
56.71081	4.8
57.07097	5.0
61.43846	5.3
67.05521	8.5
69.07078	33.9
79.05496	9.8
81.07054	19.1
83.08624	7.5
83.57839	6.4
91.05493	6.4
93.07066	21.4
94.64883	4.7
95.08623	24.4
97.06547	12.2
101.24287	4.7
105.07025	43.1
107.08634	28.9
109.10194	8.4
117.07015	6.7
119.08577	48.1
121.06523	10.0
121.10155	22.6
123.08102	11.4
123.11732	6.1
129.06998	10.9
131.08597	32.2
133.06490	10.5
133.10104	11.7
135.08035	9.2
135.11742	6.2
137.09628	26.1
143.08580	33.9
145.06499	8.0
145.10143	29.1
147.08075	11.0
147.11659	10.0
149.09689	9.1
155.08521	21.8
156.09373	7.1
157.10173	35.5
159.08049	11.2
159.11687	9.8
161.09592	6.1
163.11201	7.8
167.08617	11.6
168.09315	5.4
169.10123	42.1
171.08060	9.5
171.11714	29.2
173.09625	23.1
175.11205	6.5
181.10152	26.6
183.11671	12.3
185.09668	23.0
185.13341	11.4
193.10176	11.4
195.11745	30.5
196.24419	5.5
197.13330	10.9
199.11217	30.7
201.12819	5.7
207.11761	29.1
209.09698	5.7
209.13210	37.5
211.11238	26.8
211.14896	7.3
215.10756	7.7
221.13202	6.4
222.10521	7.2
223.14775	8.1
224.12035	5.4
225.12769	23.4
226.13481	5.3
227.14337	11.4
237.12749	36.8
237.16260	7.9
239.14355	7.0
241.19574	5.8
251.17998	11.5
254.13136	5.6
255.13898	12.1
264.15009	7.1
267.17535	22.0
269.19058	33.7
279.14828	5.2
279.17398	47.6
285.18484	5.5
297.18524	100.0
315.19525	46.2
357.20596	46.5
375.21793	33.8
417.22638	66.7
431.51593	5.2
435.23938	7.5
477.24655	21.1
477.31226	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	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
64.00962	5.9
67.05509	11.3
69.03405	5.7
69.07056	9.2
72.49022	5.6
76.69196	6.8
77.51929	5.5
79.05499	29.7
81.07040	13.4
83.08624	7.0
91.05477	23.5
93.07027	26.8
95.04984	9.7
95.08586	25.6
105.03374	8.0
105.07019	54.2
107.08611	42.8
109.06502	5.9
109.10126	15.3
111.08119	8.0
119.08574	51.8
121.06461	10.2
121.10119	34.9
123.08073	25.2
129.06989	7.3
131.08588	43.0
133.06551	6.8
133.10141	45.1
135.11691	9.3
142.07784	8.0
143.08543	44.3
145.06528	6.4
145.10135	37.4
147.08070	12.1
147.11723	11.0
151.11026	7.3
155.08540	32.1
157.10162	57.8
159.08060	9.8
159.11662	33.0
161.09604	14.4
163.11070	9.9
165.06990	7.8
167.08524	11.9
169.10114	35.7
170.10965	6.5
171.08035	15.1
171.11684	44.3
173.09593	10.7
173.13251	11.6
175.11177	8.2
179.14154	7.5
181.10101	38.5
183.11693	41.9
185.09569	11.9
185.13264	21.5
193.10118	24.2
195.11639	51.3
197.09700	7.4
197.13225	25.0
199.11182	26.1
207.11714	36.6
208.12433	9.9
209.09688	9.5
209.13191	70.5
211.14827	14.5
220.12492	10.1
221.13203	14.8
222.13977	11.2
223.11160	7.2
223.14899	25.7
227.14320	10.1
231.11763	8.7
236.15523	12.3
237.12750	14.7
237.16417	23.7
246.13954	8.1
251.17973	28.6
261.16467	14.9
267.17462	10.3
269.19040	27.0
279.17429	58.1
297.18463	100.0
299.20059	6.8
315.19550	31.3
339.19604	26.7
357.20630	81.8
417.22650	24.1
459.31024	23.4
477.24811	26.5
477.31900	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	477.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23598	3.7
59.23048	4.3
64.00842	4.3
81.07074	7.9
91.05476	7.7
92.36481	3.9
93.07011	19.2
105.07010	17.5
107.08612	7.5
109.06500	16.7
109.10194	5.5
119.08578	39.7
121.10127	5.7
123.08049	6.5
131.08459	4.4
133.10118	10.5
135.08069	10.2
143.08589	22.3
145.10109	9.1
147.08051	24.1
149.09630	8.8
155.08493	8.7
157.10132	18.2
159.08060	16.7
159.11694	10.3
161.09627	37.3
165.06972	5.3
167.45845	4.6
169.10118	35.5
171.07976	6.4
171.11652	17.0
173.09578	17.0
175.11153	6.0
177.85060	4.2
179.08614	4.8
181.10139	17.9
183.11641	6.5
185.09682	5.4
187.11206	28.7
189.12761	4.7
193.10205	6.5
195.11668	46.6
197.09631	7.3
197.13391	4.4
199.11145	9.7
201.12738	6.7
207.11647	7.9
209.13269	23.6
211.11243	6.4
213.12778	7.6
219.11757	4.2
221.13261	18.5
222.14059	5.3
223.11205	31.2
223.14711	5.7
237.12662	19.4
237.16444	22.5
239.14308	75.4
246.14177	5.5
249.12962	5.2
251.14180	4.6
251.17995	18.3
253.16054	5.8
255.17395	17.1
257.15393	16.8
261.16330	9.7
264.14893	4.6
269.18988	17.0
279.17395	100.0
297.18466	92.5
315.19608	28.5
317.17508	57.6
339.19543	39.2
357.20560	71.2
359.18558	6.3
375.21204	6.8
399.21741	9.3
417.22791	66.7
469.28601	4.3
477.11578	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.03442	4.5
57.07073	8.1
58.27556	3.4
59.59827	3.5
67.05515	13.6
69.03411	4.5
69.07069	7.2
79.05483	18.3
81.07043	21.1
83.08606	4.3
85.06570	4.3
85.56416	4.4
86.15775	3.7
91.05466	18.8
93.07041	34.5
95.04963	8.7
95.08607	47.4
97.06546	5.6
105.07047	40.0
106.65411	4.4
107.04965	6.5
107.08597	43.4
109.06503	8.1
109.10142	21.2
117.07037	4.9
119.04994	4.1
119.08582	39.4
121.06470	18.1
121.10136	57.7
123.08047	16.7
123.11626	4.9
128.06183	5.5
129.06984	6.5
131.08598	28.9
133.06499	7.7
133.10149	54.3
135.08046	7.7
135.11737	5.9
143.08569	21.2
145.06528	5.9
145.10115	21.0
147.08043	49.8
147.11691	7.9
149.09615	15.6
151.07539	8.3
155.08556	9.1
157.06482	4.3
157.10101	27.0
159.08089	17.6
159.11699	23.9
161.09554	17.0
167.08508	4.4
169.10100	15.3
171.08029	23.4
171.11693	20.5
173.09631	19.8
173.13268	9.3
175.11176	5.6
177.09123	5.8
180.09320	5.6
181.10149	7.8
182.10941	4.6
183.11655	18.6
185.09581	15.5
185.13271	8.8
187.11272	5.9
189.09134	15.1
189.12744	4.8
193.10059	9.0
194.10855	8.6
195.08089	5.5
195.11662	29.4
197.09636	16.4
197.13234	29.1
199.11046	5.7
199.14825	6.8
201.09117	23.5
201.12801	5.8
203.48940	4.3
207.11624	9.6
209.13203	30.7
211.11235	14.1
211.14851	7.6
213.12726	27.6
215.10660	5.9
215.14334	8.0
219.11850	5.3
220.12518	5.3
221.13304	8.8
222.14006	7.6
223.11244	9.0
225.12775	21.2
227.10597	4.0
227.14349	4.9
231.11722	4.7
235.11299	6.5
237.12971	11.7
237.16150	4.9
239.14281	19.7
241.12125	4.1
246.13971	8.8
249.12791	7.7
249.16287	8.5
251.17912	40.1
253.15880	17.9
255.13715	7.6
261.16385	6.9
267.13928	4.5
267.17325	8.4
269.18979	36.8
279.17413	72.9
297.18472	100.0
306.34415	4.4
315.19547	28.5
329.21014	4.6
357.20578	76.5
375.21768	7.7
417.22482	23.0
423.28604	5.1
429.29935	23.2
441.29886	17.5
459.30957	26.0
477.24850	31.8
477.31476	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	477.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91725	6.3
55.05514	8.9
58.51079	7.4
66.71337	7.4
67.05500	13.3
79.05494	27.1
81.07058	7.1
91.05434	10.4
93.07030	45.9
95.04949	11.5
95.08609	32.5
105.03382	13.0
105.07014	46.3
107.08592	42.2
109.06517	10.8
109.10136	9.9
111.08094	8.7
119.08582	48.6
121.10188	55.3
123.08102	10.5
123.11729	7.8
124.03389	8.5
131.08575	33.0
133.06451	10.1
133.10112	38.4
135.08041	27.3
137.09654	9.3
143.08568	53.8
145.10112	44.5
147.07996	26.9
147.11696	12.7
149.09688	17.0
151.07556	10.0
155.08516	29.8
157.10118	13.4
159.08032	11.2
159.11693	31.9
161.09598	30.7
167.08565	15.1
169.10112	31.8
170.77048	7.1
171.11671	37.3
173.09641	17.9
173.13269	13.8
175.11203	10.1
179.08554	14.7
181.10107	37.1
183.11667	52.6
185.09639	11.9
185.13254	12.1
187.11162	27.3
193.10149	13.4
194.11009	10.8
195.11638	55.3
197.13243	16.5
199.11159	31.2
207.11737	36.0
209.13187	78.8
211.14839	17.4
221.13277	30.5
222.10518	10.1
223.14761	12.4
225.12729	9.8
227.14417	8.0
235.14944	9.4
236.15594	8.7
237.12869	16.0
237.16389	11.0
243.07831	7.2
246.14116	12.1
251.17963	28.7
255.17293	11.2
261.16479	8.6
267.17380	14.9
269.18973	17.0
279.17419	73.4
297.18445	100.0
315.19489	27.3
339.19510	10.1
357.20563	69.4
375.21686	14.0
403.68945	7.6
417.22778	14.3
477.25519	9.6
477.32178	46.2
490.03168	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	477.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.9
57.03450	6.0
58.31117	5.2
67.05499	13.2
69.07061	5.2
75.83636	5.0
79.05505	11.5
81.07053	24.0
91.05482	12.6
91.64108	5.2
93.07034	33.9
93.36778	5.0
95.04967	12.9
95.08600	30.2
101.01337	4.9
105.03407	49.7
105.07030	54.3
107.04913	8.0
107.08598	45.7
109.06526	6.9
109.10152	9.0
119.08566	62.1
121.06458	6.9
121.10148	30.3
123.08093	11.6
131.08557	35.5
133.06493	29.4
133.10121	46.3
135.08051	20.5
135.11697	8.4
143.08586	37.6
145.06476	9.8
145.10129	33.8
147.08058	32.5
149.09625	26.5
151.07538	6.7
155.08530	11.5
156.09335	7.9
157.10112	35.6
159.08009	12.8
159.11671	22.2
161.09642	22.0
167.08578	5.9
169.10114	35.3
171.08095	8.8
171.11690	25.2
173.09613	27.2
173.13269	11.6
175.11212	6.3
179.08533	6.2
181.10115	26.9
183.11670	13.4
185.09694	7.4
185.13258	8.3
187.11185	8.4
189.09032	6.7
192.09367	24.0
193.10034	7.5
194.10855	6.0
195.11713	34.4
197.13202	39.0
199.11174	9.5
201.09146	9.1
207.11664	43.7
209.09691	8.2
209.13275	23.0
211.11192	22.6
211.14919	24.5
213.12785	13.1
215.14326	28.4
217.10168	10.5
219.11618	8.8
220.08852	31.3
221.13243	10.6
223.11177	8.6
223.14853	6.8
225.12708	24.9
225.16376	7.6
235.11118	43.8
235.14862	10.8
237.12721	20.4
237.16371	6.7
239.14360	7.9
246.14104	19.7
249.12726	5.9
251.18027	11.9
253.12231	9.9
253.15894	11.7
255.13702	6.8
261.16357	31.1
267.17490	6.8
268.17783	6.1
269.19052	25.6
279.17441	64.9
297.18488	100.0
315.19604	24.1
331.33954	6.0
339.19424	12.5
357.20563	58.2
375.21713	7.3
417.22760	27.8
477.25021	42.1
477.31506	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	477.2848
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
54.18651	5.0
56.23715	4.4
60.34626	4.9
61.44868	5.0
68.78897	4.8
69.03466	6.4
79.05489	5.3
81.03423	52.5
81.07056	21.2
85.28442	5.2
91.05480	8.1
93.07020	56.4
95.04955	34.4
95.08583	11.9
105.07027	25.2
107.08593	59.1
109.06573	6.1
109.10148	8.8
119.08562	30.5
121.10166	20.3
131.08603	5.8
131.62013	5.3
133.06508	6.4
133.10129	46.0
135.08051	100.0
145.06467	6.8
145.10101	12.7
147.11662	9.3
157.10068	6.5
161.09618	86.8
163.11150	21.8
163.76068	6.3
173.13264	11.5
186.55296	5.9
201.03021	5.3
255.20964	7.1
265.19473	9.5
283.20535	51.2
343.22647	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67505	11.5
53.59954	10.8
55.71804	8.7
57.03416	10.1
61.77632	9.5
67.05498	23.9
73.95880	11.5
79.05475	49.4
81.07044	25.7
81.48122	10.3
83.04977	16.8
91.05488	100.0
91.05945	10.7
93.07034	46.6
97.88110	11.6
102.58245	10.2
105.07026	58.9
107.08637	15.8
114.87184	10.4
119.08591	26.7
133.10114	25.2
135.08084	18.5
143.08665	12.9
161.09625	23.1
174.71555	14.5
221.19745	13.2
253.14326	26.8
281.17523	45.0
431.44986	12.0
436.20370	12.5
459.27441	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92105	4.2
58.91550	4.6
67.05506	9.0
69.03424	8.3
69.07066	6.6
79.05513	7.4
81.03414	51.3
81.07055	21.3
89.86121	5.0
90.56625	5.2
90.73581	4.6
91.05482	6.5
93.06536	6.9
93.07047	66.3
95.04980	26.3
95.08593	29.4
105.07028	26.0
107.08605	53.5
109.10159	24.5
117.07048	7.3
119.08566	28.3
121.10141	19.1
123.11703	10.0
131.08551	19.2
133.06496	6.3
133.10109	43.1
135.08057	100.0
143.08569	19.9
145.06544	7.0
145.10063	7.4
147.11748	10.0
157.10121	25.7
161.09608	84.4
163.11156	20.2
169.10184	6.6
171.11632	10.5
173.13237	6.1
187.14786	5.5
196.58568	4.9
199.14726	15.3
213.12563	5.3
227.14200	6.7
241.15752	5.5
255.21071	26.1
265.19589	6.9
283.20535	87.4
301.21490	6.7
343.22360	10.0
387.53113	5.6
398.24393	4.8
419.98975	5.2
477.26608	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.1
57.07074	2.2
60.01747	1.7
67.05518	7.4
69.07063	3.9
79.05482	3.9
81.07062	15.1
83.08592	4.5
83.70698	2.6
91.05486	3.7
93.07029	16.0
95.04971	39.2
95.08608	30.4
97.06554	3.9
97.10164	2.6
100.38255	1.9
105.07042	17.4
107.04971	2.9
107.08598	35.1
109.06517	4.1
109.10178	15.0
111.08095	13.1
113.09641	5.0
117.07007	2.6
119.04929	4.4
119.08570	12.7
121.10139	18.0
123.08034	5.0
123.11699	8.2
127.99625	2.2
131.08583	11.9
133.06471	7.7
133.10115	14.4
135.08057	100.0
135.11691	4.4
137.05899	3.8
137.13321	2.4
139.11176	8.0
143.08553	4.2
145.06488	8.1
145.10109	23.2
147.08009	3.4
147.11621	2.6
149.09595	3.0
155.08528	4.1
157.10103	8.4
159.07970	4.1
159.11717	12.2
161.09610	13.0
161.13277	4.0
163.11142	13.9
167.08527	2.2
169.10156	2.5
171.08083	3.0
171.11659	7.7
173.09645	12.0
173.13229	10.4
177.22946	1.9
179.10696	4.6
179.14305	33.4
181.10150	3.4
183.11691	3.1
185.13280	2.8
187.11200	10.0
189.09169	2.3
191.10678	7.5
191.14267	2.7
195.11789	3.5
197.13300	3.1
198.71233	2.0
199.11151	2.2
201.12801	2.2
205.12212	2.6
209.13177	2.6
209.91612	2.3
213.12730	4.8
215.14259	3.0
219.13725	13.9
223.14783	3.1
225.12531	2.4
237.16316	3.5
243.13704	2.1
251.17857	3.0
255.17366	2.8
261.87286	2.0
265.16089	2.2
265.19516	4.4
283.17410	4.2
283.20615	19.5
285.18488	2.8
293.18954	3.6
301.18243	2.1
311.20010	10.9
329.21149	12.1
339.19556	4.1
357.20602	20.7
375.21521	2.5
441.29767	4.5
459.30701	74.4
477.31839	43.2
482.84912	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	477.3189
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
53.46451	1.3
53.68495	1.4
64.12771	1.4
64.85213	1.3
66.34081	1.2
68.47029	1.4
81.07050	2.9
93.88177	1.7
105.07023	1.8
154.52318	1.8
167.90800	1.7
177.25310	2.0
198.15083	1.8
223.65385	1.7
254.36241	1.6
414.44324	1.6
445.29309	9.0
477.31891	100.0
477.38419	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	477.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12329	1.3
51.37036	1.1
55.05518	2.7
67.05502	8.3
69.07061	2.8
73.02916	2.2
81.07053	5.4
83.08633	3.5
86.79137	1.3
93.07017	6.7
95.04945	10.3
95.08601	82.2
107.08579	3.7
108.21588	1.5
109.06496	1.9
109.10111	1.8
111.08085	2.7
113.09634	36.2
119.08571	1.8
121.06519	1.8
121.10126	10.0
123.08054	2.5
123.11674	7.2
131.08566	2.6
133.10109	2.8
135.11719	1.9
139.11240	3.3
143.08563	5.6
145.10098	9.0
157.12213	1.6
159.11710	3.0
161.09550	1.7
161.69901	1.7
169.10153	1.7
169.42657	1.6
171.07997	1.6
173.09604	3.4
173.13213	3.2
179.14302	12.9
181.10101	1.7
183.11751	1.8
189.09030	2.0
195.11638	3.1
197.13327	3.2
199.11174	1.4
199.14941	2.8
209.09595	1.6
209.13191	2.6
211.11084	2.0
213.12723	3.0
219.13799	6.2
225.12714	3.1
235.14755	2.4
237.16347	6.2
265.15875	7.1
281.15192	2.1
283.16928	20.4
299.16364	6.6
301.17966	100.0
311.19928	5.9
329.21106	18.3
339.19495	2.5
353.20966	2.8
357.20569	2.4
423.28940	9.8
441.30017	32.5
459.31021	47.0
477.25479	2.6
477.32098	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.321
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
55.05517	1.8
60.81439	0.8
64.62634	0.8
67.05495	6.8
69.07050	1.8
81.07044	2.2
83.08614	2.4
85.10195	1.6
91.05486	1.3
92.17934	1.7
93.07043	4.2
95.04947	6.2
95.08602	62.4
97.06515	1.4
105.07038	1.7
107.04962	1.5
107.08596	2.5
109.10094	1.3
111.08075	2.2
113.08939	1.2
113.09654	23.9
114.09161	1.2
119.08585	1.9
121.10160	9.1
123.11685	6.0
132.59674	1.1
133.10146	1.3
137.06010	2.0
139.11211	7.1
141.12793	1.3
143.08578	1.3
145.10101	6.4
147.11653	1.2
155.08527	1.2
157.10146	1.8
157.12225	4.8
159.08075	2.3
159.11652	1.8
161.09558	1.4
169.10173	1.7
171.08032	1.2
173.09599	4.3
173.13287	2.4
179.14262	8.9
180.47647	1.1
187.11223	1.5
189.09224	1.4
195.11729	1.5
197.09593	1.7
197.13239	6.0
199.11186	1.2
209.13268	1.6
211.11319	1.2
213.12755	4.2
219.13820	1.5
221.13202	2.3
223.11145	2.0
223.14873	1.5
225.12775	4.4
227.14316	1.5
235.14824	1.8
237.16319	2.5
247.14862	2.0
253.15781	1.2
255.17430	1.7
265.15848	5.3
269.21735	1.0
283.16919	19.9
293.19037	1.7
299.16467	6.9
301.17966	100.0
303.19455	5.0
311.20056	6.1
329.21182	13.2
330.80328	1.0
353.21075	5.0
357.20590	4.4
382.80618	1.1
423.28961	10.5
441.29990	29.3
459.31006	31.9
477.32101	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	478.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
63.54527	0.7
69.03420	0.7
79.49346	0.7
85.02901	5.1
103.66614	0.7
108.90228	0.7
109.02859	1.5
133.87852	0.8
139.02139	1.1
153.00017	1.8
153.05376	1.1
155.01590	1.5
161.05962	0.9
162.06758	1.1
163.07567	4.8
167.01636	6.7
169.03162	13.7
176.08342	3.5
177.03671	3.3
178.03091	0.8
193.03172	4.2
194.09384	100.0
195.04732	21.5
197.68953	0.8
203.05272	3.6
205.21147	0.9
209.06302	11.3
224.03693	6.3
227.07310	6.2
281.08444	1.5
298.11160	1.6
299.09528	6.7
316.12122	62.5
460.16254	1.7
462.56970	0.9
478.17194	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	478.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42075	0.5
54.80646	0.5
55.05513	3.2
56.16130	0.5
57.03432	0.7
66.84228	0.5
69.03418	3.1
70.06595	0.6
81.03423	0.9
84.67765	0.6
85.02898	8.6
88.03960	0.7
97.02897	3.7
109.02889	0.9
112.07638	0.8
123.04404	1.0
127.03893	3.0
139.02049	0.8
142.36903	0.7
153.00043	2.9
153.05524	1.2
155.01630	2.6
161.05983	1.0
162.06772	2.7
163.07539	4.3
164.59071	0.7
167.01640	6.6
169.03178	15.4
176.08302	4.0
177.02054	0.7
177.03665	4.5
177.05215	0.8
181.06851	0.9
193.03156	5.4
194.09381	100.0
195.04742	19.6
195.49020	0.7
203.05272	1.5
209.06271	10.8
224.03719	5.3
227.07314	5.4
238.02713	0.7
271.71631	0.8
281.08298	1.4
285.39749	0.7
298.11139	1.5
299.09442	9.4
316.12103	56.0
318.30130	0.6
344.62943	0.7
394.13287	0.9
478.17493	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
68.97350	0.7
69.03432	6.1
70.71721	0.6
79.05474	5.1
81.03417	7.1
85.02905	16.2
95.04952	1.2
97.02876	4.6
99.04435	0.8
105.03392	100.0
109.02876	10.4
123.04414	22.0
127.03896	7.5
145.05020	1.5
183.67096	0.9
194.59352	0.8
231.06520	3.9
249.07564	8.8
267.08606	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
62.87049	0.6
69.03426	5.7
79.05484	3.2
81.03423	9.9
85.02901	17.0
95.04948	0.8
97.02879	6.2
99.04451	1.3
105.03387	100.0
109.02870	13.4
110.72471	0.8
111.31083	0.9
123.04415	20.4
127.03915	8.7
145.04951	0.8
231.06532	4.1
249.07520	9.2
267.08612	47.4
277.65027	0.7
478.17636	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	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85185	0.5
59.68042	0.4
69.03431	6.7
71.04990	0.7
76.01377	0.5
79.05490	4.2
81.03422	10.2
85.02908	15.1
95.04970	2.6
97.02885	5.6
99.04464	1.1
105.03392	100.0
109.02867	13.4
123.04424	20.6
127.03919	8.7
145.04970	1.1
165.05544	0.6
194.09540	0.7
195.08632	0.8
228.76701	0.5
231.06633	3.6
236.94093	0.5
249.07626	9.0
267.08615	43.0
347.40939	0.6
389.88266	0.7
430.15854	0.6
478.19040	3.0
503.97226	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	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30038	0.6
73.32608	0.8
78.96320	0.7
80.93577	0.6
81.44850	0.7
83.12238	0.8
85.02905	1.2
86.09699	100.0
102.84206	0.7
107.04913	5.1
108.08111	11.7
110.07169	2.8
132.10191	69.1
136.07616	1.1
145.73256	0.8
149.05966	1.5
152.07054	8.8
153.49147	0.8
154.19373	0.7
156.07660	1.6
167.07034	1.3
170.08138	1.6
314.12094	6.0
332.13174	6.1
478.18970	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	478.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08377	3.2
54.67233	2.8
54.76696	3.6
58.38200	3.1
60.93637	2.9
77.84573	3.1
81.07048	6.1
91.05486	4.9
93.07021	16.3
95.08597	8.6
95.73050	3.1
99.62360	3.7
105.07036	29.8
107.08591	15.4
109.06510	3.9
109.10155	6.1
117.07088	3.6
119.08593	30.4
119.48650	3.6
121.10140	20.9
121.55808	3.6
122.59486	3.6
123.08076	5.5
129.07024	3.5
131.08595	14.5
133.10109	34.2
135.11670	4.8
143.08594	25.9
145.10129	36.0
147.11668	7.8
155.08562	17.7
156.09320	8.3
157.10107	38.5
159.08113	6.6
159.11699	20.9
161.09581	5.5
165.09998	3.5
167.08479	4.1
169.10054	25.5
171.11696	31.4
181.10069	13.3
183.11688	31.6
187.11201	3.5
193.10143	18.3
195.11707	19.4
197.13283	16.1
199.11275	6.1
199.68900	3.6
206.10928	8.3
207.11647	39.8
208.12524	4.6
209.13246	29.3
211.14832	7.2
213.12888	4.1
219.11783	4.1
220.12730	4.5
221.13271	35.3
225.12723	6.1
233.13292	13.8
239.14313	13.6
239.18044	4.3
248.15698	15.8
253.19421	19.4
263.17914	76.0
269.70749	4.2
281.19016	100.0
299.19968	19.1
341.21106	22.9
389.30759	4.0
401.23236	65.7
431.74521	3.8
460.17520	3.4
470.32101	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05519	11.5
56.64845	0.8
57.03447	8.3
57.07071	1.5
60.32248	0.6
62.06079	0.7
67.05510	23.1
69.06735	0.9
69.07073	18.8
71.08634	0.9
79.05506	6.1
81.07059	32.2
83.08632	11.6
91.05476	4.1
93.07041	8.3
95.08601	24.9
97.06502	1.8
97.10148	5.1
98.98436	0.9
105.07023	1.4
107.08598	6.4
109.10161	8.4
111.11705	0.9
119.08575	5.0
121.10133	4.9
123.11691	3.5
133.10143	4.3
135.11682	3.7
137.13353	0.8
141.63589	0.8
147.11726	1.8
249.25110	0.9
306.27933	7.8
337.27359	100.0
478.29205	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
62.06079	24.4
67.05492	30.3
69.07069	12.5
71.08626	13.0
74.88220	5.5
79.05470	8.0
81.07056	36.5
83.08619	6.4
84.70168	6.0
85.06461	5.4
91.05486	7.0
93.07026	13.1
95.08592	33.8
97.10197	7.6
98.98490	5.3
105.07063	9.3
107.08623	10.5
109.10155	10.8
129.23047	6.2
267.50668	6.4
306.27826	9.7
337.27441	100.0
460.28204	33.4
478.28857	53.4
487.94806	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	478.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10865	0.9
64.62183	0.9
66.46393	1.0
79.05481	5.4
93.07040	1.2
95.08585	1.2
105.07027	4.6
107.04952	100.0
109.10159	1.1
117.76836	1.0
119.08574	1.6
120.08100	12.0
121.10074	1.2
132.11003	1.0
133.10150	1.9
135.11671	1.2
149.05983	20.1
155.08603	1.1
161.13347	0.9
168.65691	1.0
180.10188	85.8
197.13255	2.4
239.18040	1.6
281.19016	1.8
299.20059	6.7
316.09103	1.6
348.76450	1.1
478.29514	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70778	0.7
67.99959	0.8
68.27409	0.7
69.50408	0.7
73.02538	0.8
79.05492	6.2
93.07040	1.3
94.59153	0.8
95.08609	1.6
105.07018	3.9
105.61270	0.7
107.04948	100.0
107.08591	1.7
119.08550	1.3
120.08089	9.1
121.10117	1.2
131.08543	1.6
133.10112	1.1
135.11685	1.8
137.09642	1.0
143.08560	1.3
145.10146	1.5
149.05965	20.1
156.98108	0.8
180.10172	91.0
185.13252	0.9
195.11807	0.8
197.13220	1.1
229.81738	0.7
239.18095	1.2
281.18936	5.4
299.20117	7.5
478.29535	26.2
499.66840	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	478.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86929	0.7
56.05045	1.5
57.07089	8.0
57.44028	0.9
65.03938	1.6
69.07062	0.9
71.07372	13.9
71.08621	5.3
81.07047	4.0
83.05006	1.4
83.08608	1.9
85.10184	5.8
86.09708	94.0
94.79758	0.9
95.08587	6.1
97.10212	1.3
98.98448	1.8
109.10208	1.1
123.11671	1.3
125.00006	25.4
131.30563	0.8
136.99982	1.5
163.01537	34.8
181.02602	5.6
184.07373	9.8
215.16418	0.9
283.26242	1.6
398.39813	0.8
419.25595	3.9
478.32913	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.15932	0.2
53.03947	0.2
55.01870	0.2
57.03421	0.5
57.07066	1.2
59.17986	0.2
61.02918	1.3
69.03426	3.2
71.04990	0.4
73.02930	0.5
78.01624	0.2
81.03409	2.2
85.02907	10.3
85.06518	1.2
86.06879	0.3
87.04417	0.3
91.03935	0.3
95.89382	0.3
97.02888	3.4
99.04423	0.6
105.07024	0.4
109.02878	1.4
127.03891	1.4
137.05963	2.1
139.03940	0.6
145.04938	1.4
151.03897	1.3
151.07454	0.3
153.01866	1.1
157.10025	0.4
159.05557	0.3
161.09593	0.3
165.01828	0.5
170.49138	0.2
189.09125	0.3
229.04890	0.4
243.02589	0.3
246.05194	0.4
247.11708	0.4
248.12064	1.1
257.04480	1.1
261.07565	0.3
274.04730	1.3
285.03979	3.3
299.19986	0.6
302.04175	11.1
317.06540	100.0
317.20972	1.1
337.04550	0.3
432.00882	0.3
479.18414	0.4
479.26450	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	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01834	0.2
57.03423	0.4
61.02944	1.4
69.03433	3.0
71.04993	0.3
73.02919	0.4
81.03419	1.9
81.07030	0.4
85.02904	9.3
91.03951	0.3
95.08601	0.2
97.02887	2.9
99.04457	0.3
109.02873	1.1
125.09611	0.3
127.03934	1.6
137.06017	0.4
139.03889	1.1
143.08586	0.3
145.04930	0.8
153.01816	1.1
168.06552	0.3
219.76546	0.2
226.51616	0.2
229.04962	0.9
257.04422	1.1
261.07455	0.2
262.13733	0.2
273.03879	0.3
274.04584	1.9
285.03943	3.8
286.36588	0.2
299.16431	0.4
299.19839	0.3
302.04193	11.6
317.06540	100.0
367.08286	0.2
443.27991	0.4
479.16772	0.3
479.30008	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.74775	0.3
53.03964	0.3
57.03413	0.4
61.02912	1.5
69.03438	2.3
73.02919	0.4
80.76779	0.4
81.03406	1.4
85.02899	9.1
92.18498	0.3
97.02900	2.8
99.04414	0.5
105.07022	0.4
109.02866	0.6
127.03910	1.6
137.05954	2.8
139.03888	0.5
145.04924	0.7
151.03925	0.5
151.07547	2.0
153.01801	0.5
156.27046	0.3
159.39174	0.3
161.06001	0.6
161.09688	0.3
177.09076	0.3
189.09073	0.5
257.04468	1.5
265.08585	0.4
273.03949	0.4
274.04752	1.7
283.09583	0.5
285.03915	3.5
297.11356	0.3
302.04187	11.2
310.28439	0.3
317.06543	100.0
317.21149	1.3
368.15173	0.3
479.26730	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	479.1551
Annotation	Nyasicoside
Peak:m/z	Relative Intensity
53.92489	0.6
61.20004	0.8
62.41344	0.6
71.04990	0.8
74.32672	0.6
81.03419	3.7
84.38292	0.6
107.04964	0.8
109.02874	4.0
115.13473	0.6
119.04927	4.5
121.02867	3.1
123.04429	2.9
127.03876	1.2
131.58560	0.6
135.04407	3.2
139.03906	81.0
141.05495	0.6
147.04410	81.1
157.18864	0.7
163.03897	7.1
165.01784	1.4
165.05499	0.9
191.03391	100.0
195.09802	1.1
197.05920	1.1
219.08606	2.7
243.06529	31.8
243.21909	0.6
285.07590	27.2
309.09628	2.6
339.10690	1.1
341.12311	1.2
461.14444	8.0
479.16437	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	479.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07280	0.6
50.40617	0.7
57.01965	0.7
74.02695	0.8
84.04506	7.5
85.02921	1.0
90.01543	0.8
92.17944	1.2
101.07116	1.4
107.04974	1.0
108.76128	0.8
111.04449	1.8
111.94917	1.0
112.21586	0.7
119.04908	1.6
123.04422	73.6
125.83254	0.8
130.04999	26.8
135.04436	7.3
137.37907	1.0
139.03891	7.5
147.04408	18.8
147.07635	26.2
147.11487	0.8
148.14986	0.8
157.99814	0.8
163.03888	82.4
165.01773	0.9
165.05447	11.6
175.03912	1.5
175.66068	0.9
177.05530	1.1
181.04951	100.0
193.04950	4.1
205.04990	1.3
286.68134	0.9
315.08633	33.5
333.09702	19.4
343.51682	0.8
479.17279	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	479.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
95.25092	0.8
113.31728	0.8
117.59039	0.8
138.89876	0.8
139.03888	8.9
139.63235	0.9
147.04378	5.7
152.45026	0.9
191.03355	10.4
194.09398	10.1
195.04762	2.8
195.09729	9.5
196.05006	1.2
210.06606	1.3
243.06509	1.4
269.09158	0.8
285.07513	1.8
316.11951	3.5
317.12424	7.5
347.13138	3.9
419.15146	7.9
479.17075	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	479.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59400	0.8
60.54410	0.8
64.25309	1.0
69.03425	2.0
71.41770	0.9
73.02906	1.2
78.93265	1.1
79.40940	0.9
81.07079	1.3
85.02880	3.8
91.05486	4.0
93.07059	1.4
95.08595	2.3
97.02898	3.8
103.05462	3.8
105.07024	1.2
107.04929	1.4
107.08583	1.8
119.04928	1.6
119.08602	1.6
121.06499	2.1
121.10167	1.6
131.04927	35.7
133.06485	1.4
133.10135	1.1
135.08063	0.9
137.05974	100.0
145.10199	1.6
147.04407	11.1
147.08025	1.3
148.12784	1.0
149.05948	2.1
149.09583	1.3
151.07561	10.5
159.11716	1.3
161.05957	8.6
161.09599	1.8
162.06738	5.9
163.07518	21.9
171.11707	1.8
173.70973	1.1
175.07516	13.1
175.11116	1.5
179.06996	1.9
181.08583	1.3
189.09099	2.1
191.10626	1.7
193.08600	6.3
195.10155	1.8
195.11772	1.1
197.13268	1.6
201.15242	0.9
207.10173	1.3
253.08661	1.3
254.12581	1.1
267.10092	1.2
297.11212	4.7
299.12830	1.9
299.20062	7.2
317.13663	8.0
317.21194	8.5
329.13431	2.0
347.14490	2.0
397.07852	1.0
425.16220	1.2
479.19836	5.7
479.26309	4.0
479.32935	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	479.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.5
63.73889	1.6
90.76334	1.5
103.05453	8.9
108.14017	1.7
119.04999	2.5
121.06476	1.6
131.04924	100.0
137.05968	35.0
147.04404	30.9
147.08020	2.0
149.06017	9.6
151.03842	2.1
151.07541	9.6
161.06041	12.0
162.06734	16.9
163.07535	54.5
169.10127	3.8
175.07549	28.9
177.05438	2.5
179.06998	2.4
180.07909	2.0
193.08603	15.5
195.11659	2.1
211.11319	2.0
267.10104	1.9
271.09579	2.0
297.11249	3.3
311.12796	3.0
317.13892	16.2
329.13760	3.5
347.14551	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	479.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14627	0.6
61.46263	0.7
67.05483	1.0
69.03426	1.1
79.05495	1.1
81.07027	1.4
85.02908	1.6
91.05476	3.2
93.07037	1.7
95.08620	1.4
97.02866	1.4
105.07037	1.7
107.04945	10.4
107.08559	4.0
109.06490	0.8
117.07018	0.9
119.04921	4.8
119.08573	1.6
121.06482	6.0
122.03641	1.4
123.04435	1.2
123.08064	1.5
129.06992	1.0
131.04921	5.4
131.08580	0.9
133.10155	1.0
135.08020	1.8
135.11676	1.1
137.05971	100.0
137.09541	1.1
137.41138	0.8
137.95206	0.8
145.06430	0.8
145.10075	1.0
147.04405	0.8
147.08023	1.8
147.11694	0.9
149.05952	1.8
151.03941	0.9
151.07523	18.6
157.06435	0.9
159.11636	0.9
161.05977	17.3
161.09584	4.3
163.07524	4.6
171.11661	0.9
175.07568	5.4
177.09056	1.7
181.06609	0.8
181.08603	3.7
187.07611	0.9
189.09094	12.2
191.10637	0.9
195.10164	4.9
207.08293	1.2
207.10133	8.2
221.05942	1.0
225.09032	0.9
227.10652	1.0
237.09344	1.2
239.17941	1.0
247.07516	1.0
249.09203	0.9
251.10674	1.0
255.10085	1.1
265.08649	3.8
267.10165	1.7
269.08258	0.7
279.10330	0.8
281.18921	1.5
285.11154	2.8
291.10223	1.0
297.11191	4.7
298.11987	1.1
299.12823	1.7
299.16721	0.8
299.19992	5.7
311.12854	1.0
317.17526	2.6
317.21146	6.5
323.12979	1.2
431.18262	1.2
459.48538	0.9
479.20291	12.4
479.26566	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	479.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78873	1.2
53.69548	1.4
60.85392	1.4
64.91940	1.4
79.05489	3.5
81.06998	1.8
85.02907	1.9
91.05470	9.2
93.07019	3.6
95.04985	2.3
95.08580	1.7
105.07011	7.1
107.04940	21.8
107.08582	3.6
108.05277	6.8
109.06570	1.9
117.07026	2.6
119.04943	8.4
119.08578	2.3
121.06499	3.8
123.08011	2.8
124.03964	2.6
129.06979	6.6
131.08517	1.7
133.10117	2.7
134.77184	1.5
135.08011	3.7
137.05975	100.0
143.04936	3.1
145.06511	2.4
147.08044	2.4
149.05954	3.7
149.09598	2.6
151.06357	3.7
151.07524	75.2
157.06467	2.9
161.05957	18.0
161.09654	3.1
163.07518	8.0
165.09111	3.4
174.06818	5.5
175.07523	8.5
177.09048	11.4
180.10201	15.6
181.10475	3.7
189.09163	12.7
191.10698	1.8
195.10146	31.8
197.13200	2.8
197.38605	1.5
205.06465	1.8
207.08174	2.2
207.10181	6.6
237.09042	8.8
239.10745	1.9
249.09229	1.8
253.08672	3.1
255.10139	2.3
265.08572	14.7
267.10205	7.6
269.08145	2.6
273.11383	2.2
279.10010	1.6
281.19019	8.2
283.09613	9.1
285.11270	11.6
297.11249	25.2
299.20001	12.4
308.10083	1.5
311.12866	13.6
317.13876	3.6
317.21054	7.6
323.12921	2.0
337.14349	2.5
358.77820	1.6
461.19476	1.9
479.20334	23.4
479.30698	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	479.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13560	1.7
50.13788	1.7
52.97452	1.9
55.01886	1.9
55.05074	1.7
57.68622	2.0
59.05008	6.6
65.69179	1.8
69.03421	4.7
71.04993	13.8
80.67933	1.8
81.07045	3.2
84.97095	1.9
85.02912	24.0
90.59763	1.9
97.02889	2.8
97.06525	2.0
99.04443	2.3
105.07032	1.8
107.08569	2.4
109.41496	2.2
129.05507	2.7
131.04919	42.2
137.05959	11.2
137.09610	2.6
143.08601	2.5
145.10220	2.0
147.04390	10.2
149.05904	2.5
151.03873	3.0
151.07608	2.3
161.09578	2.9
162.06735	3.4
163.07550	20.0
164.69089	1.9
165.05579	1.8
168.04820	1.8
169.10117	100.0
171.11572	2.6
175.07538	7.3
181.10121	3.2
183.11703	2.6
193.08556	3.1
193.10109	3.8
195.11687	64.5
197.09602	23.2
199.11223	2.0
199.14764	2.2
209.13272	9.6
211.11151	15.4
220.12395	27.7
225.16402	2.9
235.14784	42.9
249.14909	7.1
253.15877	34.9
271.16913	4.1
299.16321	17.6
317.13965	6.1
317.17380	39.9
461.28815	2.5
479.15363	2.7
479.22672	71.7
479.29492	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	479.264
Annotation	Pharboside G
Peak:m/z	Relative Intensity
51.60014	2.5
55.05521	3.4
55.96893	2.5
58.13351	2.6
59.50113	2.8
61.02909	3.7
63.51511	2.5
66.37624	2.7
67.05493	3.1
69.03415	5.3
69.07057	7.0
71.05006	2.8
79.05516	5.0
81.03431	4.3
81.07034	7.1
83.08610	3.6
85.02911	38.1
89.35104	3.0
91.05483	3.9
92.17867	5.7
93.07024	18.9
95.08601	22.4
97.02893	17.1
103.09000	3.3
105.07026	19.6
106.02858	3.7
107.04935	18.4
107.08612	22.0
109.02896	4.7
109.06506	6.7
109.10138	15.4
119.08585	24.2
121.06517	5.9
121.10144	13.1
123.08068	6.4
127.03883	6.2
129.06985	3.3
131.08545	14.8
133.10124	48.9
135.08031	6.1
135.11644	4.4
137.05956	16.6
137.09659	4.4
141.06924	2.9
143.08572	18.0
145.04929	4.3
145.10094	19.0
147.08054	5.8
147.11652	6.6
149.06004	3.2
149.09616	5.1
151.07524	14.1
155.08566	16.5
156.09280	3.8
157.10114	21.0
159.07999	5.2
159.11699	17.0
161.09592	11.7
162.37593	3.1
163.11195	4.8
168.19536	3.4
169.10074	17.4
171.11671	30.7
173.09612	14.0
173.13272	12.4
175.11166	6.9
175.14946	5.1
180.10182	12.9
181.10312	18.0
183.11710	18.8
185.13264	18.3
187.11128	6.6
187.14854	5.7
189.12785	5.8
193.10123	6.5
195.11719	5.9
197.09674	5.2
197.13281	20.7
199.11237	4.8
203.14290	14.4
207.11653	6.6
208.12465	4.9
209.13417	4.8
211.11186	4.1
211.14801	12.7
213.16273	4.7
215.14357	3.6
217.15988	3.4
217.57491	3.3
220.12555	5.8
221.13329	7.2
223.14883	14.4
225.12646	10.7
237.16417	12.4
239.17873	6.0
241.15944	14.2
248.15590	5.3
253.19513	22.5
263.17953	20.0
271.20435	6.6
281.19006	64.8
299.20044	100.0
311.16409	3.1
317.21149	63.9
479.26340	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	479.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76055	1.4
69.07059	2.4
81.07058	9.3
91.05467	2.1
92.18538	3.8
93.07049	7.6
95.04953	2.1
95.08595	7.8
97.06512	6.9
105.07008	3.8
107.08614	3.3
109.06506	51.7
109.10149	2.1
111.08087	7.7
119.08607	13.7
121.06522	2.9
121.10111	3.0
131.08582	1.9
133.10135	23.8
135.08014	3.2
137.05975	32.9
137.09581	2.6
137.20647	2.0
138.71797	2.2
139.07509	4.5
143.08531	3.1
145.06487	100.0
145.10095	7.7
147.08076	7.6
147.11662	7.5
155.08575	3.4
157.10080	8.0
159.11711	9.7
161.09618	2.4
163.07549	23.8
165.09129	13.8
169.10133	3.6
171.11636	9.2
173.13216	12.8
181.10068	3.5
183.10089	8.8
183.11725	10.0
187.11252	2.6
193.10086	2.7
197.13240	4.2
201.12743	14.3
205.08582	12.7
221.13103	2.2
222.13634	2.4
225.12906	2.4
229.12236	2.1
239.14143	2.0
239.17953	10.3
249.16231	7.0
257.19055	4.4
264.18304	3.7
267.17432	21.2
279.12140	14.8
282.19354	4.5
285.18448	20.0
289.14288	3.1
327.19427	12.9
345.20618	4.4
360.97147	1.8
385.38660	2.0
402.23474	3.9
479.26312	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	479.3002
Annotation	22-Oxo-20-hydroxyecdysone
Peak:m/z	Relative Intensity
50.49099	2.4
52.14411	2.5
55.05507	2.4
57.03441	3.4
57.07075	3.1
60.02119	2.3
60.96228	3.0
62.77389	3.0
67.05499	15.3
69.03395	4.2
69.07079	19.8
71.05000	4.5
75.44880	3.1
79.05486	4.1
81.07059	13.8
83.08644	2.5
84.46824	2.4
85.02919	6.7
85.06540	46.6
87.69070	2.9
89.59976	2.2
91.05476	4.7
93.01993	2.4
93.07064	23.1
94.97425	2.8
95.04971	17.9
95.08598	23.9
97.02896	3.8
97.06530	10.3
105.07014	13.0
107.08605	32.9
109.02904	3.5
109.06554	3.4
109.10166	16.4
113.05995	18.5
115.07623	3.9
118.48933	2.5
119.08598	20.3
121.06458	6.1
121.10130	17.7
123.08049	27.0
123.11755	4.4
124.03970	3.4
125.09605	6.3
131.08574	12.8
133.10156	20.2
135.08084	12.4
135.11702	10.7
137.05974	13.8
137.09601	5.4
141.09097	4.9
143.08578	10.5
143.25882	3.0
145.10126	23.2
147.08035	4.7
147.11717	11.0
149.09654	12.0
157.10143	6.3
159.08070	4.1
159.11697	12.8
161.09599	5.8
163.11156	12.7
169.10135	12.0
171.11748	11.3
173.09636	19.9
173.13306	5.4
175.11230	5.6
181.10094	3.5
181.12207	14.6
183.11755	11.6
187.11200	16.1
189.09193	5.6
191.10672	19.6
193.10124	3.2
195.11708	5.3
195.13837	5.7
197.13257	4.0
199.11150	3.9
199.14799	6.1
205.12216	6.0
209.13322	5.1
211.14908	4.8
213.12851	4.4
213.87950	2.7
215.10715	3.0
221.13199	4.1
225.12723	4.8
225.16313	4.0
231.13902	3.9
237.16400	4.7
239.17757	4.0
249.14810	4.7
255.17455	11.4
265.15863	5.6
281.18921	10.0
283.16791	14.1
285.18509	3.3
299.20102	29.0
301.18021	11.8
302.04245	10.6
303.19693	5.5
310.68076	2.9
313.21655	4.0
317.06561	100.0
317.21078	25.9
319.19003	4.7
331.22684	5.4
385.23770	12.9
407.25787	3.2
425.27011	19.3
443.27924	80.7
461.29111	60.4
479.30469	69.8
490.31653	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
59.59130	1.1
67.05496	2.1
69.07077	3.0
79.05507	12.2
81.07065	14.7
83.04972	6.0
83.08604	1.6
91.05478	7.8
93.07066	10.8
95.04961	8.1
95.08587	10.0
97.06535	1.4
101.06029	1.5
103.05443	1.8
105.07015	17.2
106.33434	1.6
107.04949	27.8
107.08589	30.1
108.05274	2.9
109.06467	3.2
109.10162	13.7
111.04426	17.4
117.07016	2.0
119.04906	5.3
119.08575	10.9
121.06461	3.0
121.10138	9.5
123.04458	5.2
123.08155	1.9
123.11716	7.5
131.04918	8.5
131.08578	6.2
133.06506	5.8
133.10133	16.7
135.08054	100.0
135.11697	2.7
137.09621	2.3
143.08591	3.0
145.06499	9.3
145.10150	6.5
147.08047	2.9
147.11731	2.8
149.05957	2.2
149.09615	2.5
149.13286	2.2
157.10133	6.5
159.11711	7.5
161.09584	8.7
161.13193	2.9
163.11172	8.7
169.10103	2.4
171.11726	6.4
173.09618	2.1
173.13260	2.9
175.11270	2.2
179.10641	8.6
179.14310	1.5
180.10193	11.4
181.10353	6.3
183.11774	2.3
185.13228	1.8
187.11134	2.5
193.10066	1.8
195.11693	2.4
197.13275	2.6
199.11224	2.1
199.14745	2.0
209.13263	1.7
211.11261	2.0
213.12842	1.4
213.16415	1.6
215.14404	2.0
223.14937	1.4
241.15887	1.6
255.21301	1.5
265.19501	2.9
277.01660	1.4
283.20483	21.9
295.16916	3.4
301.21774	5.7
313.17896	13.1
331.19025	17.9
416.07956	1.5
450.97266	1.6
479.24319	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	479.3004
Annotation	22-Oxo-20-hydroxyecdysone
Peak:m/z	Relative Intensity
51.66504	1.5
53.27737	1.3
57.03444	1.9
59.04981	2.0
60.05723	1.5
67.05518	2.3
67.60433	1.4
68.70441	2.0
69.03413	3.8
69.07069	41.1
71.04980	4.1
73.06567	2.8
75.57553	1.9
81.07053	9.3
83.04949	1.9
85.02917	3.6
85.06536	11.1
91.02176	1.6
91.05456	1.8
93.07036	3.3
95.08594	9.9
97.02884	3.1
97.06535	13.8
107.08597	3.7
109.10133	3.3
109.16769	1.6
115.07568	20.6
119.08567	2.8
121.06490	1.8
123.08033	12.9
131.04977	2.2
131.08560	2.0
133.10126	3.1
137.05963	9.0
137.09615	2.6
141.09148	4.2
143.08575	2.9
145.10118	4.2
146.76794	2.0
147.04410	2.8
147.08057	2.5
157.10156	3.3
159.10011	2.1
169.10098	31.7
171.08063	2.1
173.09608	6.8
173.13295	2.1
175.07733	2.3
181.10066	3.0
183.11668	3.3
189.09085	2.3
191.10727	3.4
195.11696	18.4
195.13658	3.7
197.09586	2.5
197.13373	2.5
206.10858	2.8
209.13226	7.8
211.11176	4.1
211.14815	2.7
213.12779	6.0
216.88060	1.9
220.12502	6.6
223.11288	2.0
231.13786	8.1
235.14825	14.2
237.16476	3.3
243.08720	4.0
244.09492	29.2
249.14804	13.4
253.15916	16.2
255.17264	2.3
265.15845	7.2
283.16943	20.1
287.16260	1.8
299.16391	12.1
299.19437	1.9
301.17944	100.0
303.19397	2.9
317.06589	3.0
317.14005	4.6
317.17514	16.0
329.21082	8.6
348.27655	2.0
378.15128	2.1
379.16074	7.3
385.23709	3.3
389.24625	2.8
407.25696	8.6
425.26755	12.3
443.27905	64.3
461.28943	41.1
479.16620	2.9
479.22781	17.6
479.30017	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3368
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
50.14719	1.8
51.65867	1.6
51.87098	2.2
52.29363	1.7
55.05523	3.4
57.03447	2.7
57.07077	4.1
58.30724	1.9
61.12679	1.8
62.01621	2.0
67.05505	4.6
69.07040	3.3
70.35736	1.9
71.08620	7.8
79.05500	3.2
81.07063	12.6
83.08601	10.3
85.06590	2.1
85.10195	15.4
91.05473	2.6
93.07029	4.7
95.08606	64.0
97.06532	2.4
97.10173	4.5
105.07015	4.2
107.04948	2.6
107.08604	10.2
109.10139	2.7
113.09641	9.9
119.08578	4.7
121.06547	2.9
121.10146	4.1
123.11708	25.4
125.09644	3.6
131.08559	4.6
133.10129	3.2
135.08057	2.5
135.11696	5.0
143.08542	2.9
145.10135	10.0
147.08043	3.4
147.11707	2.7
157.10098	3.1
159.11705	9.5
161.09581	4.1
169.10141	2.4
173.09615	12.7
180.10179	2.3
183.11830	2.4
187.11153	12.3
189.09154	4.4
191.10664	9.6
193.15868	3.3
195.17422	4.0
199.14880	3.1
205.12271	2.4
213.12738	4.1
227.14297	2.6
231.13779	3.5
234.70486	2.1
249.14844	5.1
265.15912	3.3
267.21362	2.5
283.17194	2.8
285.18457	3.7
295.20599	4.1
313.21649	4.2
347.22318	2.6
407.29431	4.0
425.30563	8.9
443.31607	26.0
461.32565	40.7
479.33682	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	479.3369
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.74509	1.8
54.90629	2.2
55.05515	12.0
61.58102	2.1
67.05502	4.2
69.03418	3.8
69.07074	16.0
72.83805	2.3
79.05479	4.7
81.07059	31.8
83.08615	30.4
85.02900	16.7
89.90300	1.9
91.05474	3.1
93.07057	20.7
95.04973	3.5
95.08611	42.4
96.92642	2.1
97.02881	4.1
97.10175	4.9
105.07028	12.6
107.08593	28.2
109.10155	12.0
111.08076	3.3
117.07068	2.9
119.08560	18.1
121.06493	9.1
121.10158	27.0
123.08068	10.8
123.11701	69.5
127.03889	2.4
129.07040	2.5
131.08554	5.0
133.10143	12.1
135.08075	8.6
135.11673	14.1
137.05949	4.7
137.09642	2.7
141.12743	4.2
143.08563	4.1
145.10129	10.0
147.11684	11.5
149.09575	3.7
149.13248	4.5
151.07559	3.7
155.08585	4.1
157.10152	5.1
159.08101	3.9
159.11732	13.4
161.09579	3.4
161.13225	4.3
163.07567	2.9
163.11186	4.5
163.14847	3.2
169.10187	8.4
171.08113	5.6
171.11673	9.5
173.09625	17.0
173.13257	8.6
175.11212	11.2
175.14810	8.8
177.12750	3.3
182.87213	2.3
183.11749	5.4
185.13252	4.4
187.11201	13.3
187.14754	2.8
191.10760	3.9
193.15930	4.3
195.11665	3.1
197.13266	9.5
199.11078	3.3
199.14851	3.7
201.12762	3.6
213.12755	5.6
213.16261	3.5
215.14369	21.2
223.14888	2.9
225.16249	3.3
227.14355	3.7
231.13751	5.2
233.13286	3.1
233.15269	15.9
241.15781	2.9
281.18896	9.2
299.20038	17.5
317.06396	4.0
317.21069	54.5
343.22852	2.8
355.22690	4.5
361.23792	8.6
373.23773	9.1
425.30524	19.1
430.87091	2.6
443.31573	100.0
449.17163	2.6
461.32492	63.3
479.26352	14.3
479.33301	8.0
502.78149	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	479.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19657	0.9
55.05502	0.6
57.03425	0.9
57.07060	1.1
67.05501	1.4
69.03413	0.8
69.07041	3.7
71.05011	0.7
81.07069	5.3
83.08611	1.0
85.02878	0.9
87.08087	1.6
91.05471	1.8
93.07042	6.1
95.08605	32.6
97.06528	3.0
97.10133	1.2
105.07014	4.8
107.08585	7.5
109.06529	1.3
109.10163	4.8
109.33039	0.7
111.08098	0.8
111.11687	2.7
113.09653	9.0
119.08556	3.7
121.06536	5.3
121.10134	17.5
123.11710	1.5
131.08540	3.3
133.10104	4.3
135.08041	1.5
137.05974	4.4
139.11177	12.0
141.12756	1.5
143.08562	1.5
145.06467	1.2
145.10121	4.4
147.08051	4.5
147.11665	6.2
149.09685	0.8
149.13319	0.9
151.07562	1.2
157.10103	1.0
157.12251	3.6
159.08064	1.1
159.11673	3.5
161.09608	3.1
161.13217	1.0
163.11104	0.9
165.23473	0.7
169.10133	1.7
171.08029	0.9
171.11655	1.8
173.09601	6.1
173.13298	1.1
175.11243	1.5
185.13258	0.9
187.14804	1.2
189.09105	3.1
191.10667	8.4
197.13333	1.0
199.11154	0.8
207.10033	0.8
209.11705	4.6
211.14764	1.0
215.14311	0.9
225.16367	1.0
227.14217	6.2
227.17987	1.1
229.15904	3.8
239.17987	1.2
243.17447	1.5
257.18881	1.0
258.74506	0.9
267.17444	3.8
285.18408	9.2
299.16495	1.1
299.20062	1.1
303.19528	5.4
317.06589	4.0
317.17526	3.2
317.21027	1.5
360.08020	0.8
443.31631	1.3
452.76758	0.8
479.33640	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	479.3731
Annotation	Clathriol
Peak:m/z	Relative Intensity
55.05514	28.2
57.07076	15.6
65.44313	10.3
67.05500	23.4
69.07059	60.5
71.56351	9.9
81.07050	49.3
83.08611	47.7
95.08593	28.9
97.10167	18.5
98.07796	11.0
107.08591	16.4
109.10161	24.2
118.99323	13.2
125.05998	21.1
137.06001	51.0
139.07530	66.8
177.09084	100.0
185.13304	12.3
205.12190	18.4
232.00314	13.4
305.92130	13.3
356.73578	14.1
415.35614	16.0
433.08734	12.5
443.34976	57.9
457.65903	11.2
461.36151	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41685	1.2
71.22476	1.4
75.65034	1.3
85.02892	1.3
109.57615	1.3
119.04939	2.3
123.04421	81.9
124.04766	1.8
135.04417	8.1
139.03928	2.3
147.04405	20.1
163.03893	82.2
163.05258	3.1
165.05521	13.7
166.08694	1.6
177.05507	4.6
179.01601	2.3
181.04950	100.0
193.04921	1.9
205.04916	1.8
211.04454	1.7
231.00890	1.3
233.47339	1.4
255.06526	5.2
262.94379	1.5
297.07593	1.6
298.01086	1.4
315.08667	36.5
318.09760	7.6
333.09680	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	480.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76453	0.6
71.44823	0.8
85.02910	1.9
92.02055	0.9
93.03371	1.2
108.10691	0.7
111.04400	1.0
121.02861	1.0
123.04421	55.7
135.04417	8.8
137.06042	0.9
139.03903	3.8
141.05444	1.2
147.04416	12.7
151.03928	0.9
163.03886	58.7
163.05260	2.0
165.05501	8.1
175.03711	0.8
177.05449	1.4
181.04948	100.0
193.04973	1.8
315.08597	29.3
333.09784	7.6
366.56351	0.8
415.99368	0.9
422.63412	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	480.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82222	0.6
60.39004	0.7
60.70678	0.7
63.23739	0.7
66.12154	0.9
70.00646	0.7
70.06584	4.6
85.09019	0.9
91.55286	0.8
111.04766	0.8
115.41334	0.7
119.01916	1.8
127.02394	1.6
143.01909	12.8
145.03432	3.3
155.01874	11.3
161.02989	8.6
167.01935	7.9
169.03447	1.2
170.06557	1.7
173.02985	7.0
174.06148	1.2
179.01878	3.1
183.67523	0.9
185.02951	25.3
187.04489	1.5
197.02995	11.3
198.06107	100.0
203.04022	4.7
210.06097	10.2
215.03903	6.4
216.07161	39.9
227.04018	10.0
228.07172	5.3
234.08437	2.5
239.03932	0.9
240.07127	4.5
245.05040	72.9
252.07021	1.3
257.05075	3.4
258.08218	28.2
263.06161	5.9
275.06158	1.8
288.09250	5.1
300.09262	3.4
305.07202	7.9
318.10266	9.7
335.08142	1.7
360.11414	1.7
365.08990	10.6
480.15613	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.7
60.40716	1.0
62.71191	0.9
63.50333	1.1
67.84785	0.9
69.03425	7.7
71.04995	77.9
71.05388	2.8
75.04475	2.7
75.56760	1.1
83.04992	8.7
85.02907	100.0
87.04459	4.9
97.02873	6.4
111.04435	5.8
115.03918	5.5
121.06503	1.5
123.04418	8.2
127.03877	2.5
129.05479	35.3
133.04984	1.8
147.06534	12.6
151.07549	8.6
155.07025	40.6
164.04689	2.0
164.09183	6.7
167.07059	8.4
179.07001	8.1
191.06889	2.6
193.08615	2.0
221.08072	7.5
247.09726	1.8
255.08453	1.6
265.10648	4.4
281.10297	5.0
283.11774	9.3
301.12823	7.7
309.11786	4.6
480.17520	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95037	1.1
57.03448	13.3
61.02909	2.5
69.03438	9.3
73.02919	27.2
79.96723	1.3
81.03410	1.8
85.02907	18.1
87.04506	1.2
92.17841	1.7
97.02902	21.6
98.43195	1.4
105.07016	2.8
115.03928	12.0
123.04427	100.0
127.03895	6.6
133.04929	2.9
133.06487	23.2
135.12723	1.1
137.05975	2.9
145.04971	6.4
147.04399	1.9
151.07544	49.2
162.94211	1.5
163.07538	4.9
169.08589	46.9
175.07593	2.4
180.08569	1.3
193.08601	1.7
203.06863	1.5
211.09644	4.8
219.06570	1.2
235.09764	2.5
239.02209	2.7
247.09688	4.9
259.07990	2.6
263.53363	1.5
265.10645	8.2
295.10315	2.3
331.13647	2.6
447.07529	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	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41010	0.5
51.52934	0.6
53.03946	1.2
53.10433	0.6
54.18002	0.5
55.01874	1.6
57.03424	4.0
61.02930	7.4
63.12031	0.7
69.03425	13.8
71.04976	3.7
72.92011	0.6
73.02908	2.7
79.05491	3.5
81.03405	4.8
85.02906	100.0
87.04449	1.6
91.03947	6.8
97.02889	28.5
99.04446	5.9
107.04956	34.6
109.02887	9.1
127.03916	23.4
129.05487	1.0
139.07538	60.9
145.04956	34.9
162.76349	0.9
163.06004	10.4
188.71461	0.7
289.09314	3.0
302.06631	0.7
311.75034	0.8
325.11404	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	480.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27256	2.2
59.99766	2.6
79.05496	6.2
80.15488	2.5
81.07055	17.7
91.05463	10.5
93.07030	16.4
95.04948	4.6
95.08582	19.4
105.07033	27.2
107.08598	30.8
109.10149	15.9
112.43951	2.8
117.07015	6.2
119.04986	3.7
119.08574	32.9
121.10177	20.2
123.11676	4.7
131.08542	13.3
133.10123	97.3
135.08054	100.0
135.09071	3.5
143.08569	4.7
145.06508	4.9
145.09082	2.8
145.10124	81.3
147.11656	6.8
157.10088	21.3
159.11681	15.5
161.09552	6.1
163.11176	17.3
167.08546	2.9
169.10139	15.0
171.11632	19.7
173.13286	3.9
177.28580	2.6
179.10652	6.3
181.10107	4.0
181.39119	2.9
183.11678	13.0
185.13261	5.1
194.10913	3.5
195.11687	13.0
197.13203	3.2
203.67787	2.9
204.27301	2.7
209.13249	23.3
223.14841	17.0
237.16351	3.6
250.17076	3.8
265.19501	80.9
283.20468	36.7
325.21536	3.6
338.80850	3.3
361.23801	13.1
385.23691	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	480.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72463	2.7
67.05470	4.1
69.07060	4.2
79.05492	3.8
81.03463	4.0
81.07051	14.1
83.08624	4.4
91.05473	12.5
93.07034	23.6
95.04959	5.9
95.08593	23.6
105.07024	16.1
107.08585	23.3
109.10140	17.5
111.08080	4.8
117.07011	4.4
119.04903	4.4
119.08558	47.4
120.39162	3.8
121.10122	17.6
123.11663	6.1
124.77886	2.8
131.08530	7.1
133.06500	5.0
133.09172	5.6
133.10118	100.0
135.08035	78.4
135.11664	5.5
137.96878	3.4
143.08557	6.8
145.06532	3.6
145.10124	53.7
147.11671	16.0
153.07143	3.2
155.08514	4.3
157.10123	12.7
159.11682	19.3
161.09581	3.6
163.09828	2.5
163.11076	20.6
167.08502	3.1
169.10075	15.8
171.11644	15.5
173.13210	4.0
181.10118	6.7
183.11655	15.3
185.13260	5.7
187.11140	3.2
195.11717	14.5
197.13126	11.3
208.12367	3.7
209.13200	34.5
223.14752	26.7
237.16302	6.0
241.67227	2.9
250.17155	3.7
255.21138	3.4
265.19489	93.6
283.20523	32.9
325.21533	6.1
361.23779	12.2
385.23788	28.2
437.43030	4.0
480.29602	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.35934	2.1
56.51620	2.6
60.99465	2.5
61.58791	2.3
62.06084	3.9
69.07052	5.0
113.87988	2.5
130.38617	2.7
199.64806	2.8
308.29425	100.0
339.28845	23.8
462.29602	4.8
480.30731	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.23866	0.6
52.93644	0.7
55.05518	11.1
57.03439	7.9
57.07080	8.1
57.31054	0.6
67.05499	9.9
69.07064	24.4
69.69416	0.7
71.08621	4.7
79.05481	3.5
81.07061	14.8
83.08617	21.0
92.17948	1.1
93.07027	7.7
95.08602	17.4
97.06536	2.8
97.10152	12.6
107.08578	5.0
109.10151	8.7
111.08093	1.2
111.11700	4.0
121.10126	10.8
123.11710	1.4
135.11705	6.9
139.11145	0.7
149.13239	1.5
156.41876	0.7
167.25310	0.9
209.46870	0.9
239.87567	0.8
308.29474	7.7
315.94672	0.8
339.28906	100.0
480.30811	1.7
505.51306	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	480.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12997	0.8
72.52380	0.7
77.03933	0.8
79.05498	7.4
81.07061	0.7
89.96191	0.7
95.08600	4.4
96.08916	1.2
105.07035	3.0
107.04953	100.0
107.08589	1.4
109.10220	0.9
120.08109	7.4
123.11743	1.0
145.10165	1.0
149.05968	20.1
169.37874	0.8
180.10187	92.4
188.11658	0.8
229.46396	0.7
345.21057	1.0
426.30453	0.9
444.32413	2.6
462.32794	3.4
468.28479	0.8
480.30643	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	480.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03527	0.6
55.31045	0.7
60.04201	0.8
79.05486	7.2
92.17813	1.7
92.97289	0.9
94.67518	0.9
100.63428	0.9
105.07052	1.5
107.04956	100.0
116.95578	0.8
119.52480	0.9
120.08086	5.9
123.38493	0.7
149.05963	23.0
180.10185	94.5
373.20248	0.8
480.31003	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	480.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58862	0.8
56.71017	0.7
58.52989	0.7
63.21936	0.7
70.66318	0.8
73.77783	1.1
79.05490	5.6
95.08588	1.4
95.59084	0.8
105.07024	0.9
105.36509	0.8
107.04958	100.0
119.08544	1.7
120.08124	7.8
149.05963	21.1
150.15562	0.9
157.10159	1.0
173.53008	0.9
180.10193	97.8
236.56401	0.9
248.39702	1.1
301.62878	0.9
329.77322	0.9
462.32504	1.2
480.30865	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	480.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03527	0.6
55.31045	0.7
60.04201	0.8
79.05486	7.2
92.17813	1.7
92.97289	0.9
94.67518	0.9
100.63428	0.9
105.07052	1.5
107.04956	100.0
116.95578	0.8
119.52480	0.9
120.08086	5.9
123.38493	0.7
149.05963	23.0
180.10185	94.5
373.20248	0.8
480.31003	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	480.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61501	1.1
70.77663	0.9
79.05482	6.1
107.04948	100.0
117.04465	0.9
120.08083	7.7
121.02718	1.0
121.94740	1.2
127.65659	1.1
149.05965	19.3
153.11728	1.2
180.10172	89.9
183.11868	1.2
215.52319	1.0
232.94830	0.9
313.10461	1.0
393.22269	1.2
462.28448	2.3
471.02689	0.9
480.31323	9.1
488.00677	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	481.0977
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.42161	0.6
61.02948	0.9
69.03416	2.8
81.03409	0.9
85.02909	9.4
97.02876	3.9
97.88121	0.7
102.65160	0.6
111.00786	0.9
117.13466	0.7
117.14329	0.8
127.03931	1.2
137.05922	4.8
153.01817	3.3
165.01819	3.2
177.68047	0.6
201.01476	0.7
208.45171	0.7
265.08643	0.8
273.03995	2.8
290.04120	0.7
315.12216	1.0
319.04446	100.0
319.18991	6.6
481.24100	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	481.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03440	0.8
57.49903	0.3
61.02923	0.8
65.03910	0.4
69.03418	2.9
69.07063	2.0
74.40571	0.4
74.93271	0.4
79.05489	0.6
81.03399	1.0
81.07032	2.2
85.02900	6.9
87.04440	0.5
91.05467	0.4
93.06989	0.7
95.08607	0.5
97.02866	2.6
97.06550	0.9
107.08575	0.7
109.02911	0.8
109.10117	0.7
119.04943	8.0
119.08583	0.7
121.06494	0.5
121.10177	0.5
122.03651	0.9
123.04409	0.5
123.08048	0.9
125.05991	1.0
125.09634	0.6
127.03883	0.7
133.06493	0.8
135.11670	0.5
137.05974	100.0
143.08560	0.8
145.04927	0.8
145.10123	2.3
147.04398	13.2
147.11630	0.5
149.09595	0.5
151.03871	0.7
151.07578	0.8
153.05460	64.6
157.10127	2.6
159.08020	0.5
159.11684	0.6
161.05974	2.3
165.05502	0.7
165.12738	1.8
169.10127	6.7
171.08011	0.6
172.08795	0.6
173.09572	3.3
173.13243	1.1
175.07544	0.6
177.05501	1.0
179.07036	12.0
179.08461	1.0
183.08072	2.9
185.09579	4.0
185.13191	0.6
195.06485	0.6
197.09601	6.0
199.11229	0.5
199.14853	1.9
203.06996	0.7
205.06520	0.5
206.10883	0.9
209.09679	0.8
209.13200	1.0
210.06700	0.5
211.14856	3.1
213.09093	2.2
213.12770	0.6
221.05965	0.6
221.13272	0.8
224.11974	2.6
225.08984	1.1
227.14330	8.6
229.08623	0.8
237.09062	2.5
239.14313	4.8
239.68176	0.6
241.08623	0.7
253.08617	1.0
255.13821	1.8
257.15268	3.5
259.09656	0.9
265.08582	7.0
267.10184	1.8
277.08566	0.9
283.13507	0.5
283.20575	1.1
284.10626	0.6
285.11240	5.8
297.11182	3.3
301.10675	2.3
301.14398	3.5
301.17883	0.8
301.21658	1.9
319.11743	29.2
319.19147	0.8
368.24118	0.5
371.22162	2.0
421.16467	4.3
433.16788	4.4
445.29379	4.3
463.19611	2.4
463.30563	0.6
481.20706	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	481.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80389	0.6
57.03426	1.2
60.42532	0.6
67.44260	0.7
69.00309	0.7
69.03419	1.6
69.07054	0.7
70.06580	1.2
81.07055	1.3
85.02898	6.8
93.07019	1.3
95.08578	1.3
97.02882	0.7
105.07021	1.5
107.08598	1.4
109.10141	1.3
111.08067	0.9
117.77225	0.7
119.08589	1.2
121.10110	3.2
123.04431	0.8
127.03736	1.6
133.10133	3.3
135.11780	0.7
137.05977	34.7
138.06395	0.9
143.08524	1.2
145.10071	2.7
147.11649	1.4
151.07578	1.1
155.08522	1.5
157.10161	3.8
159.11656	2.8
161.05888	0.8
161.09628	5.3
163.07693	0.8
171.11665	3.7
175.11142	1.1
181.08580	1.8
183.11708	1.2
185.13234	3.2
189.05447	0.9
189.12782	1.0
197.13252	1.5
199.14886	1.4
209.13380	1.3
211.14719	1.4
223.14777	0.8
227.14265	1.4
229.06615	0.9
241.16071	0.8
241.19342	0.8
265.19553	1.2
281.50250	0.8
283.20389	5.4
299.09122	3.8
301.21539	15.4
317.08331	6.3
319.18991	2.7
319.22684	10.9
349.12787	1.0
447.59668	0.8
464.09875	0.9
481.16803	100.0
481.27972	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	481.1703
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
55.01875	0.6
57.03440	0.8
57.49903	0.3
61.02923	0.8
65.03910	0.4
69.03418	2.9
69.07063	2.0
74.40571	0.4
74.93271	0.4
79.05489	0.6
81.03399	1.0
81.07032	2.2
85.02900	6.9
87.04440	0.5
91.05467	0.4
93.06989	0.7
95.08607	0.5
97.02866	2.6
97.06550	0.9
107.08575	0.7
109.02911	0.8
109.10117	0.7
119.04943	8.0
119.08583	0.7
121.06494	0.5
121.10177	0.5
122.03651	0.9
123.04409	0.5
123.08048	0.9
125.05991	1.0
125.09634	0.6
127.03883	0.7
133.06493	0.8
135.11670	0.5
137.05974	100.0
143.08560	0.8
145.04927	0.8
145.10123	2.3
147.04398	13.2
147.11630	0.5
149.09595	0.5
151.03871	0.7
151.07578	0.8
153.05460	64.6
157.10127	2.6
159.08020	0.5
159.11684	0.6
161.05974	2.3
165.05502	0.7
165.12738	1.8
169.10127	6.7
171.08011	0.6
172.08795	0.6
173.09572	3.3
173.13243	1.1
175.07544	0.6
177.05501	1.0
179.07036	12.0
179.08461	1.0
183.08072	2.9
185.09579	4.0
185.13191	0.6
195.06485	0.6
197.09601	6.0
199.11229	0.5
199.14853	1.9
203.06996	0.7
205.06520	0.5
206.10883	0.9
209.09679	0.8
209.13200	1.0
210.06700	0.5
211.14856	3.1
213.09093	2.2
213.12770	0.6
221.05965	0.6
221.13272	0.8
224.11974	2.6
225.08984	1.1
227.14330	8.6
229.08623	0.8
237.09062	2.5
239.14313	4.8
239.68176	0.6
241.08623	0.7
253.08617	1.0
255.13821	1.8
257.15268	3.5
259.09656	0.9
265.08582	7.0
267.10184	1.8
277.08566	0.9
283.13507	0.5
283.20575	1.1
284.10626	0.6
285.11240	5.8
297.11182	3.3
301.10675	2.3
301.14398	3.5
301.17883	0.8
301.21658	1.9
319.11743	29.2
319.19147	0.8
368.24118	0.5
371.22162	2.0
421.16467	4.3
433.16788	4.4
445.29379	4.3
463.19611	2.4
463.30563	0.6
481.20706	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	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05517	0.8
60.53342	0.4
61.02934	1.1
62.41558	0.5
63.90517	0.5
67.05480	0.9
69.03416	3.4
69.07068	8.9
71.04977	1.3
73.02911	0.5
73.06516	0.5
76.02460	0.4
76.11720	0.5
79.05479	1.1
81.03414	0.9
81.07063	5.0
83.04974	0.6
83.08622	0.6
85.02908	6.9
87.04453	0.6
88.01112	0.6
91.05470	0.7
93.07047	1.0
95.04951	0.9
95.08604	2.7
97.02870	3.1
97.06505	3.7
99.08092	3.0
105.07005	0.8
107.08577	6.0
109.02828	2.0
109.06513	1.2
109.10139	3.1
111.08047	0.6
119.08600	2.0
121.06495	0.6
121.10141	2.2
122.03640	2.4
123.04403	0.6
123.08024	3.6
125.05942	0.6
125.09639	4.5
127.03943	0.8
131.04796	0.5
131.08557	0.9
133.10135	1.9
135.08072	0.5
135.11646	0.9
137.05975	100.0
141.06924	0.5
143.08583	2.3
145.10115	3.8
147.04402	0.8
147.08044	0.7
147.11700	3.1
149.06071	0.6
149.09596	0.6
151.03929	0.6
155.08531	2.0
157.10136	4.0
159.08136	0.8
159.11681	2.1
161.05994	3.1
161.09633	1.2
161.13272	0.6
165.06934	0.6
165.12723	8.9
169.10121	9.2
171.08040	3.0
171.11681	2.0
172.08827	1.1
173.09590	7.3
173.13286	1.1
175.07605	0.9
175.11157	1.2
175.14822	0.7
181.10173	0.8
183.08022	5.0
183.11670	1.1
185.09616	8.1
185.13274	0.9
187.11171	2.3
191.10674	1.9
193.06517	0.6
195.08121	0.8
195.11656	0.9
196.08850	0.7
196.12532	2.2
197.09634	11.0
197.13266	2.3
199.14865	2.1
206.10867	2.1
207.08090	0.8
209.09628	2.7
209.13272	3.5
211.14851	5.6
212.11896	0.5
213.09119	5.3
213.12677	1.0
213.16402	0.8
215.14349	1.0
217.08501	0.7
221.05890	1.9
221.13258	3.2
222.06781	0.9
224.11974	5.0
225.09123	2.7
225.12770	1.1
227.14290	15.3
229.08549	0.7
231.10277	0.8
231.13612	0.6
237.09100	3.4
239.14290	10.3
239.17879	0.7
243.13757	0.6
249.09142	0.7
253.08591	2.7
255.13911	3.4
255.17487	1.2
255.21138	0.8
257.15329	6.9
259.09698	3.0
265.08533	8.7
265.15848	0.7
267.10092	1.0
273.14886	2.6
277.08594	0.8
283.09723	0.6
283.13284	2.3
283.17010	2.2
283.20383	3.7
285.11227	6.6
285.14468	1.3
294.09039	0.6
297.11176	8.3
301.14484	7.0
301.17911	1.1
301.21515	4.4
303.19431	0.8
309.11362	0.6
311.20001	0.7
315.12250	0.8
319.07230	1.0
319.22620	1.0
327.12265	1.2
361.14459	0.9
371.22107	11.8
371.26492	0.6
401.14215	0.7
409.27313	0.8
421.16400	6.2
427.28397	6.0
433.16595	5.0
445.29520	21.8
463.20035	5.2
463.31158	4.9
481.20667	37.4
481.31589	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	481.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61600	0.9
75.58453	0.9
85.02857	1.3
101.95770	1.0
126.19733	1.0
132.04477	1.1
181.79117	1.0
192.93359	1.0
207.67805	1.2
231.07666	5.3
233.14012	5.3
259.11880	16.6
277.12943	100.0
284.11447	6.0
287.19061	1.0
302.12491	54.5
319.15128	62.0
358.04321	1.1
397.13574	1.2
481.20462	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41907	1.1
55.05503	1.5
55.49081	1.0
57.03430	1.4
57.46230	0.9
58.22238	1.1
61.02905	1.5
65.45850	1.1
67.05488	1.9
69.03427	10.5
69.07066	13.4
71.04978	1.9
71.89060	1.2
79.05480	2.1
81.03411	2.0
81.07053	11.9
85.02910	17.9
87.04448	1.4
91.05433	1.4
93.07022	2.7
95.05000	1.7
95.08576	2.8
97.02878	8.2
97.06517	5.0
98.29658	1.1
99.08068	2.0
100.79106	1.3
105.07026	1.6
107.08601	6.4
107.35494	1.3
109.02869	2.2
109.10159	2.5
119.08567	6.2
121.10124	2.2
123.08057	5.9
125.09600	7.5
127.03892	2.9
131.08566	2.8
133.10091	3.0
135.08038	1.4
135.11642	2.2
137.05983	4.9
143.08545	2.7
145.10193	2.4
147.11673	4.9
155.08517	5.1
157.10103	12.1
159.08015	1.6
159.11629	5.3
161.09569	1.9
163.11086	1.4
165.12753	20.2
169.10091	24.3
171.08041	8.3
171.11711	2.2
172.08827	5.3
173.09586	14.0
173.13219	2.3
175.11189	2.0
181.09828	1.4
183.08044	20.3
183.11728	5.4
185.09642	21.7
185.13243	2.7
187.11139	2.9
191.10750	2.5
195.08141	1.6
195.11765	2.8
196.08792	1.3
196.12483	5.6
197.09612	28.3
197.13277	2.1
199.11208	2.2
199.14880	2.0
206.10939	2.9
209.09596	6.4
209.13284	7.9
211.14827	14.4
213.09111	12.5
213.12732	5.2
215.14294	2.2
217.08548	1.9
221.13232	8.1
224.11905	13.2
225.12666	1.8
227.14301	41.5
229.08690	2.2
231.10135	2.3
239.14330	27.7
255.13829	11.0
255.17323	1.4
257.15219	10.9
259.09665	2.4
273.14862	5.3
278.98904	1.3
283.13382	8.0
283.16815	3.9
283.20563	2.6
285.14886	2.4
301.14441	18.7
301.17822	2.7
301.21616	6.2
303.19434	2.8
319.15585	1.5
319.19034	3.0
319.22595	2.9
371.22195	22.0
409.27505	1.3
427.28339	6.2
445.29437	32.1
463.19693	12.7
463.30463	9.7
472.22827	1.4
481.20667	100.0
481.26663	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	481.2796
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
57.91984	1.1
70.45532	1.1
81.07062	2.1
91.05550	1.1
91.95600	1.2
95.08634	1.4
109.10121	1.6
121.10117	1.2
125.77789	1.1
133.02837	25.7
161.02321	55.5
175.03894	2.7
193.04945	100.0
211.06084	2.3
235.20477	1.8
253.21640	2.4
263.61349	1.3
311.65912	1.3
458.52219	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	481.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
63.32246	2.3
66.20328	2.5
67.05488	6.1
69.07088	4.4
69.77097	2.4
71.01366	9.8
79.05474	3.4
81.07072	21.5
82.95113	3.1
83.08632	4.1
91.05466	4.5
93.07025	22.0
95.04967	5.8
95.08605	22.4
97.06503	4.1
105.07042	21.3
107.08621	26.4
109.06522	100.0
109.10127	7.1
111.04436	3.4
111.08079	16.7
117.07027	3.9
119.08566	43.2
121.06490	12.3
121.10130	29.2
123.08054	3.9
123.11678	10.3
129.05348	3.7
129.06947	3.7
131.08543	4.4
133.10132	90.3
135.08051	29.4
135.11685	24.1
137.05969	61.1
137.09604	14.3
139.07513	18.4
143.08611	5.7
145.06468	16.1
145.10114	22.5
147.08041	15.7
147.11679	16.5
149.13277	3.1
153.46361	2.9
157.10100	14.6
158.73225	3.0
159.11676	22.0
161.13251	5.3
163.07530	38.8
165.09109	40.8
169.10083	3.4
171.11697	17.8
173.13246	33.9
175.11221	3.0
175.14781	6.8
183.10159	17.3
183.11717	16.6
187.14813	16.3
197.13277	7.0
199.14836	13.9
201.12775	27.7
201.16438	4.2
205.08681	3.4
207.11736	4.4
211.11301	3.5
213.16304	4.8
223.09500	3.3
223.14792	4.1
225.11026	3.8
225.12906	6.1
225.16478	3.1
239.17976	12.1
241.15884	5.4
249.16298	10.7
257.19006	14.3
267.17438	33.5
285.18478	47.4
289.14386	3.7
303.19431	14.7
323.14841	3.0
327.19522	4.5
345.20612	34.4
347.24393	3.1
356.10440	3.0
481.27936	44.8
508.40234	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	481.2798
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
50.87656	4.8
51.16691	4.4
67.05501	6.7
69.03417	9.8
69.07056	10.6
78.13582	4.4
78.57025	6.2
80.66508	5.2
81.03403	8.6
81.07061	6.9
83.21094	5.4
85.02912	56.1
91.05478	5.4
93.07050	12.8
95.04966	8.7
95.08618	27.9
96.08107	11.2
97.02873	11.6
105.07016	9.4
107.07909	5.6
107.08586	13.5
109.10160	39.6
114.09182	11.2
119.08569	21.9
121.10123	21.2
123.04417	5.7
123.08031	8.1
127.04001	7.7
131.08565	11.9
133.10110	21.0
135.11685	5.9
137.05899	16.3
141.07019	8.5
143.08586	7.9
145.10123	32.0
147.11678	11.3
151.11182	10.0
155.08566	22.8
157.10173	10.4
159.11665	21.7
161.09431	5.0
161.13228	6.4
163.03856	6.6
163.11148	7.0
168.14467	5.6
169.10104	31.4
171.11684	22.7
173.09618	33.2
175.11249	8.5
183.08014	11.1
183.11690	8.9
185.09654	5.6
185.13307	27.5
195.11679	9.4
197.09573	36.1
197.13260	24.7
199.14845	11.2
206.10895	7.9
209.09613	10.4
209.13235	13.4
211.14749	27.4
213.16371	6.7
221.13263	13.1
224.11957	34.3
227.14365	11.6
239.14275	52.1
239.17914	9.2
245.07936	6.2
253.19525	6.4
257.15427	22.9
259.09570	23.2
265.19470	9.7
283.20490	49.8
301.14325	96.3
301.21619	100.0
319.15421	90.7
319.18896	11.9
319.22592	67.4
480.80386	25.1
481.20486	69.5
481.28519	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2796
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
67.05506	3.6
69.03415	15.0
69.07061	4.8
81.03382	4.8
81.07042	14.0
83.04976	4.7
85.02898	29.8
85.06536	2.7
86.09660	4.2
87.04487	3.2
91.05458	4.1
92.17848	3.2
93.07037	18.8
95.04954	3.9
95.08604	28.1
97.02890	15.7
97.06514	2.8
104.32794	2.9
105.07030	15.5
107.08579	40.8
107.22414	2.7
109.06522	3.7
109.10144	19.8
111.08097	4.8
114.80618	3.2
118.16192	2.8
119.08593	38.9
120.08097	29.6
121.10128	25.6
123.08025	6.3
125.09569	5.1
127.03905	3.5
130.39320	2.9
131.08566	4.6
133.10136	23.2
135.08051	3.4
135.11731	4.7
137.05905	8.8
137.09669	10.5
140.73114	2.7
143.08585	3.6
145.10121	17.7
147.08054	4.4
147.11664	14.1
149.09628	17.4
151.11174	13.9
157.10156	16.1
159.08089	4.2
159.11642	20.1
161.09650	30.6
161.13194	3.8
163.11169	17.0
169.10031	10.5
171.11623	5.5
173.09511	4.2
173.12981	14.8
175.11209	26.6
175.14717	3.3
177.12691	12.1
181.10088	3.2
183.11636	3.0
187.11140	4.0
189.12683	3.4
197.13268	5.7
199.14717	4.3
201.12744	21.4
203.14380	3.4
211.14896	3.8
213.12819	2.9
217.12164	3.8
217.15756	4.3
225.12776	3.8
227.10725	3.4
229.15796	2.9
253.19572	3.5
271.20599	4.3
281.11234	6.4
283.20493	6.1
289.21680	6.0
295.20129	2.9
301.17990	33.4
301.21616	22.8
307.20609	3.6
319.07602	4.4
319.19028	24.9
319.22696	26.3
325.21555	3.4
343.22672	45.7
355.22839	3.5
361.23685	11.0
370.28540	2.8
385.23941	11.1
415.25116	5.1
427.24622	4.2
445.25528	4.3
463.26831	17.9
481.28583	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	481.2792
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
51.64344	4.6
57.07062	4.2
58.55513	5.4
66.89251	4.2
67.05481	5.5
79.05444	4.9
81.07056	19.7
85.02879	24.6
90.19708	4.6
91.05445	7.1
92.18583	7.0
93.07010	6.2
95.08595	29.1
100.59173	5.1
105.07005	11.6
107.08582	8.9
109.10141	12.0
117.21429	5.3
119.08548	10.9
121.10142	17.6
123.11707	9.5
130.98500	4.6
133.10153	10.0
135.08047	11.1
135.11708	6.5
137.06042	7.6
139.77336	5.1
143.08582	6.2
147.11707	7.5
149.09601	5.8
157.10124	20.6
159.11697	10.6
163.11235	6.0
171.11655	8.5
185.13298	10.6
199.14740	6.1
283.20566	51.1
301.21628	100.0
319.22641	49.7
392.76413	6.2
421.21906	6.7
435.48700	4.9
481.23514	10.6
481.28622	8.0
481.96371	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	481.2808
Annotation	Pharboside B
Peak:m/z	Relative Intensity
54.44026	4.7
61.02929	4.4
62.44907	4.8
67.05482	8.3
68.75739	5.2
69.03434	23.4
71.04987	6.1
79.05505	8.3
81.03411	9.6
81.07052	25.0
83.08656	6.4
85.02917	63.5
90.67421	4.8
93.07041	31.2
95.08600	31.5
97.02882	20.3
99.04475	5.3
105.03374	7.2
105.07027	20.3
107.08590	22.4
109.02862	9.0
109.06494	6.0
109.10153	26.5
117.07117	4.6
119.08587	34.1
121.06441	7.0
121.10138	33.8
123.08215	4.9
123.11670	5.9
127.03916	7.3
131.08577	11.8
133.10104	22.4
135.08046	5.4
135.11728	6.7
137.05983	90.1
143.08539	7.2
145.10106	31.2
147.11691	21.6
149.09642	6.2
153.05513	10.5
157.10130	28.4
159.11702	30.0
161.13237	9.3
163.11287	6.3
169.10156	6.0
171.11681	23.8
173.13272	10.8
177.73460	5.0
183.11650	11.8
185.13284	19.0
187.14828	8.3
189.12752	6.8
195.11673	6.8
197.13289	9.6
199.14903	6.2
209.13225	6.2
213.16412	8.8
223.14796	9.5
225.16548	6.4
227.17931	9.0
243.17375	7.9
255.20975	11.2
265.08691	9.2
265.19376	10.9
283.20523	71.2
301.21582	100.0
304.04758	4.9
317.06613	30.0
318.07016	26.6
319.07089	96.0
319.22623	50.6
389.06012	5.5
463.26694	11.1
481.16113	42.1
481.27911	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2927
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
55.18097	0.8
60.24274	0.6
63.13882	0.7
84.74771	0.8
88.68323	0.8
89.37409	0.8
92.18160	3.6
116.49643	0.7
131.58665	0.9
134.27040	0.8
152.83968	1.0
355.18927	0.7
355.22427	34.0
481.29221	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	481.3161
Annotation	AC1Q6CTU
Peak:m/z	Relative Intensity
67.05515	3.8
69.06784	2.3
69.07078	37.2
70.24416	2.1
79.05475	3.9
80.68709	2.4
81.07067	36.4
93.07046	9.5
93.57026	2.4
94.92995	2.2
95.04984	4.9
95.08660	3.2
97.06516	14.5
99.08097	10.2
105.07021	4.5
107.08589	23.6
109.10192	4.1
111.08109	4.6
119.08571	3.5
121.06500	4.7
121.10168	4.3
123.08085	13.1
125.09628	13.6
131.08546	5.2
131.33273	2.4
133.10103	3.1
135.11688	4.8
143.08516	2.5
145.10109	10.5
147.11635	5.0
147.49155	2.5
157.10054	3.0
159.08081	4.0
159.11760	3.5
161.09641	4.8
163.11104	2.9
165.12740	46.0
169.10191	3.1
171.08031	2.9
171.72969	2.7
173.09624	16.0
173.33606	2.6
183.78464	2.4
187.11212	5.6
189.09163	2.6
191.10648	5.4
197.13219	3.5
201.82727	2.3
211.14804	2.5
239.14198	2.6
247.13232	3.4
265.15887	10.0
283.17001	4.3
301.18021	4.1
303.19638	9.2
371.22174	49.9
427.28439	27.2
445.29526	100.0
463.30292	26.4
481.31656	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	481.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
61.02919	1.8
67.05491	3.8
69.03432	13.5
69.07067	30.9
69.83720	1.6
71.04993	3.9
79.05473	2.5
81.03433	2.1
81.07056	23.0
83.04998	1.6
83.08627	2.7
85.02915	22.2
86.19163	1.5
87.04460	2.0
89.05080	1.7
93.07032	8.5
95.04963	4.2
95.08611	10.0
95.61788	1.4
97.02898	6.8
97.06523	11.7
97.10162	1.8
99.08089	9.4
105.07023	10.0
107.04990	1.6
107.08604	21.0
109.02875	2.1
109.06549	3.5
109.10148	9.2
119.08565	13.7
121.06478	3.0
121.10151	9.2
123.08052	15.5
123.11707	3.2
125.09622	16.5
127.03968	7.0
131.08557	7.8
133.10156	8.7
135.08081	2.8
135.11690	3.9
137.05975	100.0
137.09674	1.8
143.08568	7.6
145.06496	2.1
145.10117	14.4
147.08070	2.7
147.11705	9.5
149.09642	3.2
155.08582	6.6
157.10121	17.6
159.08028	2.5
159.11694	8.7
161.09595	3.6
161.13335	3.6
163.11163	3.0
165.12738	39.4
169.10114	23.1
171.08061	10.4
171.11711	9.8
172.08867	3.9
173.09636	25.2
173.13310	3.8
175.11119	2.7
175.14728	2.8
177.12749	2.9
183.08099	11.5
183.11731	8.2
185.09563	17.3
185.13292	4.1
187.11272	7.8
189.12785	2.8
191.10596	2.6
196.12457	2.8
197.09605	27.2
197.13309	6.8
199.11237	2.8
199.14893	9.9
201.12839	2.6
203.14288	2.1
205.12238	1.8
206.10902	6.6
209.09691	8.1
209.13297	10.6
211.14809	12.2
213.09100	13.4
213.12798	3.6
213.16409	3.5
215.14384	8.3
217.15891	2.1
221.13326	8.9
224.11951	13.6
225.16255	3.1
227.14301	44.4
229.08649	3.2
231.10191	1.9
231.13786	2.2
237.12836	2.4
239.14293	24.6
239.18050	3.0
241.08540	1.7
241.16054	2.1
243.17412	2.8
249.14844	3.3
253.08643	2.9
255.13802	8.2
255.17531	2.6
255.21054	2.5
257.15381	13.2
259.09634	3.2
265.08676	11.0
265.15909	2.5
265.19604	3.3
273.14862	3.4
273.18326	2.2
283.13440	7.0
283.17279	3.3
283.20474	18.8
285.11346	3.4
297.11270	7.4
301.14590	14.8
301.18158	4.7
301.21588	22.4
303.19690	8.2
319.22748	9.1
371.22101	49.4
409.27451	2.5
421.16437	7.7
427.28391	18.6
433.16702	3.5
445.29517	71.6
463.20166	13.8
463.30911	16.6
481.20752	93.4
481.27832	11.8
481.32520	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	481.3158
Annotation	AC1Q6CTU
Peak:m/z	Relative Intensity
57.03433	2.4
61.02919	1.8
67.05491	3.8
69.03432	13.5
69.07067	30.9
69.83720	1.6
71.04993	3.9
79.05473	2.5
81.03433	2.1
81.07056	23.0
83.04998	1.6
83.08627	2.7
85.02915	22.2
86.19163	1.5
87.04460	2.0
89.05080	1.7
93.07032	8.5
95.04963	4.2
95.08611	10.0
95.61788	1.4
97.02898	6.8
97.06523	11.7
97.10162	1.8
99.08089	9.4
105.07023	10.0
107.04990	1.6
107.08604	21.0
109.02875	2.1
109.06549	3.5
109.10148	9.2
119.08565	13.7
121.06478	3.0
121.10151	9.2
123.08052	15.5
123.11707	3.2
125.09622	16.5
127.03968	7.0
131.08557	7.8
133.10156	8.7
135.08081	2.8
135.11690	3.9
137.05975	100.0
137.09674	1.8
143.08568	7.6
145.06496	2.1
145.10117	14.4
147.08070	2.7
147.11705	9.5
149.09642	3.2
155.08582	6.6
157.10121	17.6
159.08028	2.5
159.11694	8.7
161.09595	3.6
161.13335	3.6
163.11163	3.0
165.12738	39.4
169.10114	23.1
171.08061	10.4
171.11711	9.8
172.08867	3.9
173.09636	25.2
173.13310	3.8
175.11119	2.7
175.14728	2.8
177.12749	2.9
183.08099	11.5
183.11731	8.2
185.09563	17.3
185.13292	4.1
187.11272	7.8
189.12785	2.8
191.10596	2.6
196.12457	2.8
197.09605	27.2
197.13309	6.8
199.11237	2.8
199.14893	9.9
201.12839	2.6
203.14288	2.1
205.12238	1.8
206.10902	6.6
209.09691	8.1
209.13297	10.6
211.14809	12.2
213.09100	13.4
213.12798	3.6
213.16409	3.5
215.14384	8.3
217.15891	2.1
221.13326	8.9
224.11951	13.6
225.16255	3.1
227.14301	44.4
229.08649	3.2
231.10191	1.9
231.13786	2.2
237.12836	2.4
239.14293	24.6
239.18050	3.0
241.08540	1.7
241.16054	2.1
243.17412	2.8
249.14844	3.3
253.08643	2.9
255.13802	8.2
255.17531	2.6
255.21054	2.5
257.15381	13.2
259.09634	3.2
265.08676	11.0
265.15909	2.5
265.19604	3.3
273.14862	3.4
273.18326	2.2
283.13440	7.0
283.17279	3.3
283.20474	18.8
285.11346	3.4
297.11270	7.4
301.14590	14.8
301.18158	4.7
301.21588	22.4
303.19690	8.2
319.22748	9.1
371.22101	49.4
409.27451	2.5
421.16437	7.7
427.28391	18.6
433.16702	3.5
445.29517	71.6
463.20166	13.8
463.30911	16.6
481.20752	93.4
481.27832	11.8
481.32520	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	482.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
69.76225	1.3
78.84099	1.1
80.67753	1.1
83.01338	1.2
85.02899	1.2
123.04417	100.0
124.66137	1.2
127.03841	1.8
137.02327	1.7
139.03882	8.0
147.04440	5.9
151.03897	2.8
153.05556	1.4
163.03885	8.2
165.01816	37.9
165.05478	4.8
177.01811	6.1
177.05431	2.5
179.03369	7.5
183.02789	11.2
187.03925	1.6
191.03416	11.3
205.01324	12.7
205.04984	15.3
207.02866	8.7
215.03325	1.6
217.05009	1.8
219.03059	1.4
221.04451	8.5
223.02362	11.4
233.04405	31.8
235.02406	5.8
237.04002	1.9
237.52611	1.3
237.83942	1.3
243.02962	2.1
249.03964	18.1
261.03876	17.2
267.05038	14.6
277.03400	14.9
279.05005	7.0
295.04462	16.0
297.06058	9.3
306.35428	1.3
313.05490	73.4
317.06317	1.5
325.05630	5.4
429.08197	7.3
447.09235	28.7
465.10254	28.3
482.12717	12.9
482.19223	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	482.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
59.17238	2.1
60.24958	2.0
65.16061	2.2
65.73926	2.1
69.03410	2.4
70.81501	2.7
71.04722	1.8
73.50233	1.9
84.09837	2.2
85.02886	2.2
88.27793	2.1
103.39527	2.3
106.15821	2.7
123.04417	100.0
123.64862	2.2
139.03882	12.5
147.04408	8.3
163.03870	5.3
165.01822	34.1
177.01790	3.0
177.05377	3.2
179.03374	3.5
183.02898	21.7
191.03458	13.2
191.91844	2.2
205.01344	10.5
205.04933	10.8
206.71741	2.3
207.02934	4.5
218.58179	2.9
221.04495	10.8
223.02374	12.3
233.04420	28.7
235.02283	3.4
249.03963	14.7
260.12152	3.1
261.03894	16.5
267.05057	12.7
277.03439	15.1
277.12964	18.9
278.13248	37.2
279.04932	4.1
295.04459	13.1
297.05984	5.4
302.12512	10.9
303.12732	21.6
313.05515	69.1
319.15182	4.9
320.15466	18.8
325.05411	3.1
429.07721	2.6
447.09067	30.8
465.10303	20.7
482.13336	7.2
482.20526	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03939	3.9
56.66890	0.9
57.03417	1.0
69.03432	11.7
78.03436	8.4
81.03422	25.0
85.02889	9.5
85.42264	1.1
96.04414	1.1
97.02880	7.1
99.04446	2.3
106.02914	63.9
106.06573	1.4
109.02883	14.9
119.04926	6.0
122.10474	1.1
123.04414	1.2
124.03950	100.0
124.07598	1.3
126.10065	1.0
127.03941	6.6
135.04440	1.2
137.05963	7.4
147.04472	8.2
151.03891	3.8
151.07497	1.7
152.07068	4.4
153.05466	20.0
170.08179	1.2
179.07019	21.2
197.08055	1.4
250.07079	19.1
268.08130	44.8
268.10944	1.8
287.38470	0.9
464.15546	11.3
482.16571	48.4
482.23334	2.2
508.04306	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	482.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
69.03424	10.3
71.04986	1.3
78.03436	6.8
81.03415	28.9
85.02901	11.6
97.02869	8.8
99.04458	4.3
106.02911	85.4
109.02873	25.2
119.04939	1.0
119.65495	0.7
124.03940	100.0
125.19491	0.9
127.03906	10.3
134.18918	0.9
135.04398	1.5
137.05952	11.0
144.33968	1.1
147.04391	5.4
167.06998	1.8
175.29631	0.9
179.06963	3.3
197.83481	1.0
250.07088	23.8
268.08109	37.3
286.09219	1.2
319.04398	10.7
320.04831	22.6
343.11374	1.0
434.14429	47.0
464.15363	10.7
482.10147	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	482.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
58.70347	0.9
69.03419	5.6
75.50947	1.0
78.03441	4.8
81.03435	8.8
85.02432	1.0
85.02901	7.4
87.27262	1.0
91.05477	4.9
91.11594	1.0
97.02871	2.3
99.04447	1.1
105.93497	1.0
106.02197	2.0
106.02916	52.5
107.04992	1.2
109.02885	7.4
114.79836	1.0
119.04939	29.2
124.03951	76.2
127.03899	6.1
135.04463	1.8
137.05975	99.4
139.28647	0.9
147.04410	100.0
151.07544	4.2
167.07010	4.0
179.07042	35.8
188.06909	1.1
197.08093	7.0
250.07057	10.1
268.08139	33.1
302.10233	1.6
320.11227	9.7
409.38409	1.2
434.14459	60.0
464.15521	27.9
482.16830	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	482.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47880	1.7
61.39004	2.0
70.09087	2.3
70.48216	1.9
75.20615	2.6
81.03422	4.6
81.07055	9.5
88.04021	2.4
91.05473	10.6
98.71658	2.5
103.05446	4.7
105.07055	4.6
107.04950	22.5
109.02873	2.4
109.06499	4.2
119.04921	19.3
121.06541	3.3
123.04421	12.3
127.07525	10.9
131.04912	15.0
133.06468	13.1
134.09665	3.3
135.08060	3.6
137.05969	100.0
138.06253	4.4
147.04420	18.6
149.05946	10.5
151.07532	34.3
157.06462	3.6
161.05965	80.7
161.09578	13.6
161.82005	2.5
162.06729	4.6
163.07530	70.9
165.09171	2.7
169.03192	4.6
171.71368	2.3
175.07523	13.7
178.11594	2.5
179.07034	3.0
181.08566	16.0
189.09105	58.0
193.03177	13.2
207.10147	54.1
210.11301	2.3
219.10143	10.1
221.06142	2.9
221.09741	3.2
223.48744	2.5
227.10616	10.8
249.09007	2.8
255.10197	5.5
267.10153	3.2
271.11945	2.9
285.11081	5.5
287.12839	16.4
297.11111	3.6
299.12833	3.0
305.55032	2.8
311.12689	11.5
313.14282	13.0
331.15396	65.9
343.15436	11.2
425.46106	2.4
464.17368	4.4
482.18240	20.3
482.26450	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
58.11334	1.7
59.05003	2.7
63.40746	2.0
63.54852	1.7
67.73309	1.6
69.03430	22.4
69.07051	2.0
73.02876	1.9
73.77913	1.7
79.05489	13.5
81.07070	2.4
85.02924	28.7
87.04472	20.6
91.05472	2.8
93.07037	30.8
97.02882	23.8
107.08595	27.5
110.17507	1.9
115.03920	29.3
123.04440	3.4
127.03913	2.6
129.05453	4.2
130.37709	2.1
133.04951	18.9
133.10085	4.0
135.11688	100.0
145.04974	3.8
147.11641	2.4
163.01276	2.1
165.58432	2.1
259.08084	3.3
267.15955	8.7
285.17209	2.3
295.10193	4.1
297.17001	2.5
320.22839	2.6
336.27539	2.5
482.18622	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54431	1.4
57.03425	7.9
57.20319	1.3
60.36727	1.4
66.04011	1.2
68.10034	1.3
69.03156	1.5
69.03433	24.6
81.03435	1.7
81.07065	2.8
85.02480	1.3
85.02910	17.5
87.04465	29.0
93.07042	21.4
95.08617	13.2
95.09123	1.7
97.02884	26.2
101.12204	1.4
107.08588	47.3
109.10167	2.4
115.03922	33.3
127.03899	1.3
133.04971	23.9
135.11685	100.0
145.04939	2.3
153.12737	72.3
171.13783	58.6
215.21153	1.7
219.54875	1.9
295.10233	2.0
303.17963	3.2
319.07202	1.6
333.19052	33.1
334.36322	1.5
446.29797	1.9
465.23203	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	482.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37614	0.7
67.80356	0.7
67.83242	0.7
91.05490	0.9
92.18480	1.7
94.08140	0.8
97.06542	1.9
99.69115	0.8
105.07022	0.8
107.04916	0.8
107.08586	1.1
109.06494	0.7
119.08578	1.2
121.06469	1.4
121.10133	1.6
133.06523	1.1
133.10141	1.3
135.08032	6.5
135.11676	1.1
142.37042	0.8
143.08505	0.8
145.06488	100.0
145.10091	1.3
147.08035	5.1
147.11751	1.3
155.08484	0.9
157.10144	0.9
159.11671	1.6
163.07538	28.0
165.09082	0.9
167.39098	0.8
168.73116	0.8
169.10132	1.5
171.11659	0.8
181.08585	1.0
181.10204	0.8
183.11684	3.9
185.13263	0.8
187.11086	0.9
197.13225	1.3
199.11162	3.4
199.14934	0.9
201.25508	0.7
205.08620	15.4
207.11732	5.6
209.13058	0.8
211.11124	0.9
223.09738	1.3
224.15569	0.9
225.12869	2.7
234.14391	1.0
239.14339	1.2
239.17949	2.9
241.15887	1.1
249.16486	5.8
265.10712	19.3
267.17438	15.0
285.18484	7.6
302.11630	0.8
327.19540	22.6
345.20560	3.0
352.12814	0.8
447.52960	0.9
482.27542	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.9
60.08158	10.8
66.80121	1.2
86.09708	34.2
86.98817	1.5
104.10743	83.4
125.00000	13.7
184.07324	100.0
257.06378	1.4
299.26041	2.6
464.31390	3.5
468.54736	1.6
482.32339	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96148	0.4
78.91633	0.5
81.82672	0.4
95.27094	0.5
97.79320	0.5
124.03918	0.6
147.04373	0.5
154.32455	0.5
168.91766	0.6
217.06789	0.6
233.02794	0.5
237.01022	0.5
284.33093	0.6
483.14673	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	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09451	0.6
53.98803	0.7
62.25332	0.9
68.14851	0.8
69.03405	0.8
71.04980	1.1
73.49384	0.8
81.03392	1.2
85.02886	1.4
95.55682	0.9
97.02820	0.9
99.04397	0.8
106.02909	4.7
107.03235	1.2
124.03953	6.0
125.04284	1.4
128.33395	0.8
130.88315	0.8
258.50888	0.8
268.08081	1.2
269.08618	1.0
435.14639	1.6
483.14664	100.0
504.87372	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	483.1479
Annotation	TERNSTROSIDE F
Peak:m/z	Relative Intensity
51.22113	0.4
67.09003	0.4
70.64001	0.4
76.29668	0.5
80.05440	0.4
85.64418	0.4
91.30955	0.5
98.56782	0.4
98.97579	0.6
108.95620	0.4
108.96449	0.5
123.05543	9.7
158.99635	2.8
177.00743	0.6
234.99036	0.9
236.99167	0.7
237.02850	0.7
309.05078	0.5
309.08524	0.7
353.07318	0.6
483.14731	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	483.1633
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
52.67772	1.7
66.33353	1.8
74.96532	2.0
94.73695	2.2
137.06009	2.0
147.04364	3.0
150.37508	2.0
228.50037	2.5
261.41553	2.2
321.10083	12.1
325.51550	2.2
339.11264	11.1
390.12820	3.2
465.15332	2.8
483.16193	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	483.1838
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
52.36074	0.5
65.49202	0.6
69.03411	0.6
81.07036	0.8
85.02872	2.3
89.46135	0.6
93.07026	0.7
95.04987	0.7
95.08624	0.8
105.02626	0.6
105.03376	1.0
107.08563	0.8
109.10141	1.1
117.97013	0.6
119.08524	0.7
137.05952	0.7
147.11699	0.6
160.34419	0.6
234.98874	0.7
235.13222	0.8
285.22040	1.2
303.23099	0.6
483.18338	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	483.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36929	0.7
63.49865	0.6
79.05463	0.7
79.94450	0.6
119.08574	1.4
130.32080	0.7
130.34392	0.6
133.10170	0.9
143.08571	0.8
145.10103	1.6
159.11577	0.8
169.10101	0.9
171.11703	0.7
197.13187	0.8
197.34082	0.7
228.25606	0.6
263.17957	1.0
345.93536	0.8
381.20499	1.1
423.21414	3.4
483.23529	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	483.2356
Annotation	gedunin
Peak:m/z	Relative Intensity
66.06142	0.7
67.05481	0.8
70.91914	0.8
77.99441	0.7
79.05473	0.7
81.07050	1.1
91.05430	0.8
93.07020	3.0
95.04945	0.9
95.08587	1.0
105.07032	5.3
107.08611	1.3
119.08562	4.3
121.10138	1.3
123.08054	0.9
131.08539	1.5
133.10143	5.4
143.08575	5.0
145.10104	5.0
155.08516	1.1
156.09335	1.0
157.10135	4.3
159.11649	3.0
164.94469	0.7
167.08598	0.9
169.10098	3.5
171.11673	3.9
173.09618	1.1
183.11754	1.2
184.07378	0.7
193.10054	1.1
195.11681	1.5
206.10878	1.6
207.11613	3.2
208.12390	1.2
209.13304	2.8
221.13254	3.1
223.14757	0.9
233.13321	0.9
248.15636	1.2
263.18005	1.0
363.19284	3.6
381.20419	0.8
423.21573	7.3
483.23499	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	483.3106
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
55.05518	2.8
57.07064	2.1
59.06120	1.8
67.99286	1.5
69.07062	7.9
81.07044	8.1
83.08617	3.2
95.08614	14.0
97.10197	2.7
105.07024	7.1
107.08569	2.5
109.10168	21.3
119.08539	2.5
121.10175	3.1
123.11710	3.8
131.08549	6.9
133.10175	6.2
145.10123	13.8
147.11670	7.1
157.10121	2.6
159.08026	7.2
159.11763	2.8
163.07500	1.7
165.09178	2.0
173.09525	2.1
173.13255	3.0
175.14880	7.8
177.09196	2.1
177.16357	8.2
187.14809	33.1
197.13235	20.6
201.12738	8.8
203.14337	19.3
205.15810	3.4
215.14340	33.9
216.15169	3.6
231.13792	3.3
233.15385	26.3
259.13312	6.9
297.06314	1.9
332.22504	2.0
340.29401	3.5
340.68970	1.7
349.21613	2.5
391.29764	2.0
419.29257	3.1
437.30618	6.6
447.28909	9.7
465.29990	100.0
483.30984	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3105
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
52.91191	4.0
80.91639	5.0
81.07059	19.3
88.30298	4.8
93.37463	4.7
95.08594	30.5
105.07023	8.7
109.06490	7.1
109.10156	8.5
119.08605	5.4
121.10159	6.1
123.08040	38.2
123.11703	22.8
123.73046	5.3
131.08606	7.4
135.08047	9.8
145.10106	11.4
147.03896	4.8
147.08031	6.2
147.11690	11.1
149.41283	4.6
150.59171	5.4
159.08173	5.6
173.13225	6.4
177.16338	6.0
187.14908	43.7
203.14322	18.1
205.15863	59.1
215.14325	24.5
231.13879	5.4
233.15341	60.8
311.16379	8.0
313.51968	5.8
329.17505	5.8
339.28802	5.1
465.30139	86.4
483.31049	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	484.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57662	1.0
69.07043	5.1
70.06600	1.1
71.04979	1.4
76.00696	1.2
79.05485	1.3
80.79337	1.3
81.07047	2.5
82.07370	1.2
84.58236	1.2
92.53174	1.3
93.06986	2.6
94.06544	1.7
95.04916	1.2
96.08126	8.6
97.06535	1.4
103.45730	1.2
104.15308	1.1
108.08099	2.2
109.10167	1.9
110.09679	11.6
112.07508	1.4
119.15618	1.2
120.08123	10.9
122.09645	16.8
125.09658	1.4
126.10001	1.5
138.09135	100.0
140.07050	1.6
140.10695	15.0
145.10046	1.3
150.09131	1.7
151.03906	2.2
165.09061	1.4
165.12724	2.2
166.13106	1.5
168.06537	2.1
168.10199	1.6
174.09152	2.4
188.03790	1.6
192.10136	1.6
220.09372	1.3
228.10208	2.0
245.09134	2.4
257.09253	6.1
265.11859	8.1
271.10727	2.3
273.12396	1.7
289.11945	2.1
299.10138	9.3
301.12000	1.3
317.11328	56.0
317.15048	2.0
319.12863	40.4
335.00354	1.3
359.40726	1.3
372.22562	2.2
373.22925	1.9
374.23056	4.9
430.29272	3.0
438.20316	5.6
448.30240	14.2
456.14963	2.0
456.21243	46.5
466.31702	2.0
484.20755	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	484.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	61.8
79.05509	0.7
81.03442	0.8
97.79865	0.8
109.02872	3.4
112.07598	100.0
116.07092	1.3
133.10046	1.2
140.07057	31.9
149.95071	1.0
158.08110	9.1
265.90118	0.8
266.10175	3.0
281.06540	0.8
284.11258	16.8
302.12543	5.6
303.42139	0.8
484.21786	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	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32194	2.2
55.01870	4.0
57.03432	6.2
61.02930	3.3
65.07065	2.5
69.03429	27.0
73.02912	36.8
81.07055	97.6
85.02906	75.2
95.08592	13.6
96.31674	2.5
96.75863	2.8
97.02901	57.7
104.21918	2.7
109.02888	5.7
109.16346	2.5
113.33756	2.7
115.03935	27.5
127.03915	35.9
127.11138	2.8
133.04938	38.2
137.13258	100.0
145.04965	35.8
162.54276	2.5
163.05992	16.0
222.56651	2.7
223.05983	4.6
241.07014	11.1
249.22453	2.6
259.08124	34.5
295.10202	69.5
313.11404	3.3
317.19498	26.3
361.61740	2.8
378.19174	3.2
484.15021	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	485.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79982	1.3
58.17029	1.0
63.64984	1.1
68.95184	1.1
69.03419	1.4
70.06220	2.0
70.06586	39.9
71.06962	1.7
79.05488	2.3
81.03414	1.4
85.02875	2.0
100.70500	1.1
102.30233	1.1
107.04951	64.4
107.05688	2.1
109.02880	6.9
112.07595	100.0
113.07925	3.0
116.07072	1.3
127.03913	6.0
131.04875	1.8
137.06017	4.4
139.03925	9.9
140.07062	35.4
147.04364	2.1
149.05969	28.3
158.08110	23.2
163.03914	2.6
166.08611	37.6
179.03300	1.2
179.06953	1.8
184.77713	1.3
266.10172	1.9
282.44943	1.3
284.11252	12.5
302.12329	33.1
320.13379	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	485.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.6
59.84432	1.3
67.56627	1.3
69.03411	2.8
69.07073	17.8
69.32392	1.3
69.88897	1.4
71.04996	3.0
75.85329	1.3
79.04357	1.4
81.03422	23.9
81.07042	2.0
83.08622	62.8
85.02888	5.9
87.08096	11.3
89.24212	1.3
93.07044	2.1
97.02871	1.7
109.02885	39.3
111.08083	23.7
113.06004	1.6
127.03911	18.7
129.05476	6.6
129.09117	100.0
139.03806	1.6
145.04996	2.3
161.06110	1.6
195.08624	15.3
202.53418	1.4
234.99103	1.5
237.11282	13.5
255.12288	15.8
273.13309	2.8
291.14160	9.7
307.22070	1.6
485.15933	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25373	6.5
55.98874	6.7
69.07053	9.1
76.63722	7.1
79.05489	8.0
92.17863	14.9
93.07027	41.8
95.04971	9.0
95.08585	10.4
105.07034	44.9
107.08595	38.5
109.06458	13.9
119.08564	11.6
121.06474	29.6
121.10144	12.5
123.08031	9.9
129.06981	8.8
131.08559	17.0
133.06491	57.4
133.10107	33.6
135.04390	16.3
137.05986	9.5
137.09648	8.7
143.08540	34.5
145.06480	10.5
145.10095	47.6
147.08046	9.3
149.05994	16.1
149.09698	8.7
151.07526	9.5
155.08539	47.6
157.10121	43.1
159.08034	17.9
161.05894	7.2
161.09671	13.2
161.77515	6.7
163.07460	8.5
163.11177	8.8
165.06903	9.3
167.08546	13.4
169.10121	16.7
171.11696	10.4
173.04478	6.4
173.06221	9.0
173.09650	30.6
181.10086	41.4
182.11020	6.9
183.08047	9.9
183.11691	32.7
185.09639	10.6
191.10667	12.7
192.09300	37.3
193.10272	12.3
195.11667	43.7
196.08865	8.8
197.09698	26.1
197.13245	65.5
199.11206	15.9
207.11725	43.4
209.09683	10.0
210.10472	17.3
211.11153	15.2
223.11259	12.2
225.12729	58.1
235.11147	11.3
237.16353	14.2
239.14265	14.2
247.14740	9.9
253.12213	94.8
265.15857	43.8
271.13245	32.8
283.17023	12.9
289.14441	15.4
293.15271	10.0
301.18106	9.3
311.16302	55.6
329.17511	61.3
333.32562	7.6
389.19431	29.4
408.53101	8.4
449.27036	10.6
467.27945	17.4
485.24414	14.5
485.29382	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	485.2511
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
50.82513	0.6
64.02258	0.6
64.40957	0.6
76.89377	0.5
81.07001	0.8
83.01096	1.2
86.51827	0.7
91.05444	0.8
92.18462	0.7
93.07025	1.4
95.08578	1.1
97.29510	0.7
99.04751	0.6
101.86716	0.8
105.07019	2.6
107.08604	1.5
109.10127	0.8
119.08578	2.6
121.10135	2.7
123.90320	0.6
131.08534	1.5
133.10120	3.5
135.08093	3.1
135.11702	0.9
143.08559	4.4
145.10155	3.5
157.10146	1.3
159.11699	1.5
161.09613	1.5
176.96091	0.8
183.11751	1.4
195.11688	1.2
197.13257	1.5
305.18579	4.6
313.36847	0.8
365.20828	12.0
383.22003	7.0
410.36017	0.7
422.94214	0.6
425.22818	7.1
485.25073	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	485.29
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.43711	2.4
55.05512	14.6
57.03430	3.4
57.07075	3.3
62.75330	2.3
63.34798	2.4
67.05490	3.4
69.03424	3.0
69.07069	6.2
81.07036	3.3
83.08609	3.1
93.07030	11.4
95.08598	10.4
97.06540	4.6
97.10163	23.1
105.06985	3.6
107.08591	23.9
109.09452	3.7
109.10155	67.6
119.08563	12.2
125.09628	32.4
127.11200	16.1
131.08521	3.5
133.10136	2.9
134.83400	2.5
135.11682	54.4
145.10133	3.9
147.04417	3.3
147.11694	5.2
151.03900	26.0
153.12744	29.8
154.15965	2.4
155.08585	2.5
155.14265	2.8
156.89531	2.6
157.02222	3.5
157.10139	5.8
159.08025	22.0
161.05983	13.4
161.09613	32.0
163.11188	14.3
171.11728	3.1
171.13776	16.3
175.11176	6.0
181.10162	3.4
185.13292	2.7
187.07541	46.6
189.07452	2.7
189.09125	6.1
189.12744	56.7
191.10680	11.3
203.07050	3.1
213.12669	3.5
217.12198	40.8
219.13812	3.4
241.12206	3.9
245.11852	21.3
261.14771	4.1
343.22678	100.0
361.23679	11.3
467.27936	10.1
485.22525	3.5
485.28979	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35697	1.1
73.41056	0.9
77.24542	0.9
84.13564	1.0
92.27469	1.0
245.08673	0.9
364.60403	1.1
393.56696	1.0
467.31656	1.1
485.32346	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	486.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72589	0.4
57.32467	0.5
59.45721	0.5
66.82474	0.5
67.05517	0.5
75.19749	0.6
79.40668	0.5
81.07040	0.9
85.02885	1.0
85.06544	4.1
97.02905	0.7
100.95685	0.6
109.02911	0.7
119.04954	1.1
123.04422	14.1
123.37380	0.5
127.03937	2.1
127.07558	3.6
135.04431	5.1
137.02362	0.7
139.03886	0.7
147.04402	8.1
151.03914	4.1
161.05980	0.8
163.03891	39.6
165.05534	4.4
203.03366	0.9
203.07065	7.0
227.07040	2.5
255.06610	2.8
273.07565	100.0
407.11331	0.9
425.12305	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	486.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	31.6
61.02924	0.8
68.32269	0.6
69.03422	2.7
73.02847	0.6
85.02390	0.9
85.02904	23.3
86.40230	0.6
88.03991	1.2
90.40624	0.6
91.03918	0.7
92.18519	1.2
97.02904	5.8
97.03429	0.7
102.80057	0.6
109.02888	1.3
109.10127	1.3
127.03869	4.7
127.11189	100.0
133.06491	3.6
143.08554	0.9
145.04918	5.0
145.12256	13.6
149.04242	0.8
151.07526	1.0
163.05927	0.8
171.08125	0.9
175.07535	5.5
177.09071	1.0
195.10181	3.3
203.10709	1.0
221.11766	1.0
239.10556	0.8
285.14987	0.9
315.16013	1.2
327.84460	0.6
347.18176	0.7
353.58264	0.7
390.12302	0.6
484.39111	0.6
486.21527	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	486.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05058	2.1
53.42446	1.8
55.05524	6.0
55.23648	2.0
57.17219	1.9
69.03412	3.3
69.07044	3.5
70.08698	2.2
79.05502	26.3
81.07041	3.4
83.04982	24.3
91.05460	2.7
93.07040	4.0
95.04945	4.6
95.08570	5.4
97.06525	4.4
103.02204	2.3
105.07020	4.7
107.04947	14.1
107.08574	11.7
109.06493	3.3
109.10160	6.1
111.04411	12.1
119.08531	10.3
121.06437	4.2
121.10124	9.9
123.04389	4.7
123.08031	6.3
131.08588	3.5
133.06485	3.3
133.10149	11.1
135.04372	2.9
135.08031	9.9
135.11644	5.8
137.09599	4.8
145.10049	3.6
149.09610	22.3
150.10390	5.8
151.11208	5.5
151.14706	2.9
157.10167	3.1
159.11674	5.3
161.09575	3.8
161.89690	2.6
169.10201	2.8
171.11632	3.0
173.13223	3.3
177.12695	11.6
178.13570	4.1
179.14241	3.2
183.11700	3.5
187.11086	3.7
189.12761	3.0
197.13110	2.4
199.11192	4.2
205.12288	27.5
237.11038	2.7
239.14252	3.2
267.17499	3.7
274.41293	2.7
295.16864	4.8
313.17957	32.4
317.11148	3.7
331.18988	100.0
355.19049	4.4
363.01520	2.6
373.20230	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	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
86.28979	1.1
89.96967	1.3
91.05463	1.5
94.34997	1.2
95.04981	1.4
105.07037	2.8
107.08581	1.3
107.24352	1.2
109.06493	2.2
119.08515	2.5
121.06515	1.6
133.06482	1.9
133.10124	1.7
141.91031	1.1
142.00475	1.3
143.08557	1.9
145.06458	2.6
145.10141	1.7
151.07536	1.6
151.11136	1.3
156.80211	1.2
157.10088	2.7
159.08032	3.0
161.09627	5.2
162.86183	1.1
167.08574	1.6
171.11812	1.2
173.09618	10.5
175.07645	1.6
181.10219	3.8
183.11691	7.6
185.09604	4.9
185.13335	1.4
193.10135	3.0
195.11662	4.8
197.09633	1.8
197.13332	1.7
199.11090	2.4
207.11670	1.6
209.13223	6.3
211.11128	11.6
213.12772	2.9
219.11696	1.8
222.10304	2.2
225.12708	3.1
227.10652	5.2
227.14267	9.4
229.12210	2.8
237.12679	11.4
255.13786	16.9
267.17380	3.0
273.14832	100.0
285.18375	3.0
295.16922	7.3
313.18011	9.1
316.38174	1.3
331.19101	5.1
373.20074	8.7
415.21481	2.5
458.49582	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	487.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30890	0.6
54.14931	0.6
59.06227	0.6
62.06319	0.6
79.05518	0.7
85.02895	1.2
93.07063	0.9
95.08571	0.8
97.02825	0.7
101.05972	0.8
121.06475	0.7
123.08085	1.4
129.05428	2.6
131.04901	1.6
151.89870	0.8
185.04085	1.5
301.18018	4.9
324.02377	12.3
325.03186	4.4
356.21222	0.7
395.38852	0.7
469.29596	1.4
487.08456	100.0
487.20908	7.9
487.30756	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	487.1218
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
64.50965	1.0
71.04984	1.1
77.28428	0.9
80.08195	1.0
85.02876	1.6
85.06514	1.6
94.94225	1.0
127.07582	1.6
139.03854	1.1
157.76059	1.3
163.31424	1.0
170.99614	1.1
219.01781	1.4
237.02744	1.1
246.75447	1.3
307.16507	1.2
307.62897	0.9
316.46756	1.0
399.54971	1.0
487.12076	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	487.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43366	0.6
53.67482	0.6
56.96560	1.7
92.18473	0.9
98.97572	10.5
110.97554	1.4
112.05070	1.0
112.99119	1.2
116.98619	4.4
124.99113	3.5
128.98598	1.4
131.00159	3.0
131.75192	0.7
140.98596	1.3
143.00172	4.8
157.01732	4.9
158.99641	3.7
161.01221	1.3
173.01239	3.8
177.00690	1.7
190.27847	0.8
202.41617	0.7
233.03232	14.2
251.04356	100.0
263.93646	1.0
269.05423	97.0
287.06503	9.8
292.06879	1.1
293.05405	73.2
311.06458	89.9
329.07526	1.7
334.08124	1.5
427.11285	9.2
487.13315	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.9
57.07067	1.7
60.25204	0.6
61.44760	0.6
62.43653	0.6
69.03413	3.9
73.39184	0.7
81.03416	10.6
85.02899	7.9
85.06537	17.6
91.53877	0.7
92.18541	1.2
95.04979	1.2
97.02898	6.3
99.04448	1.3
103.07575	100.0
109.02876	13.0
113.05976	4.2
123.04449	0.8
127.03896	6.9
139.03835	0.8
142.52956	0.7
145.05034	1.5
149.08078	13.5
154.40820	0.7
159.62642	0.9
195.08623	4.5
231.45831	0.7
250.75317	0.8
285.09811	0.8
293.12183	1.3
322.15439	0.7
334.54160	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	487.2076
Annotation	Pauciflorine B
Peak:m/z	Relative Intensity
58.22655	0.4
61.34666	0.4
69.03421	2.1
71.16447	0.4
75.19054	0.5
79.05495	1.9
79.96336	0.4
81.03403	1.0
82.02950	0.7
85.02893	3.2
85.49469	0.5
97.02869	1.3
97.03443	0.5
99.04438	1.1
103.05462	9.5
105.07021	0.8
107.04961	16.6
109.02871	0.8
110.02400	1.1
127.03944	1.1
131.04921	100.0
132.04439	7.0
134.09645	19.0
145.04950	0.5
149.05968	0.9
172.20447	0.6
188.03879	1.0
216.04970	2.7
256.14249	0.7
273.14911	2.3
274.15253	4.3
275.09244	0.8
278.10168	3.4
293.10144	0.6
338.15930	0.9
350.97919	0.6
487.20731	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	487.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25752	2.0
58.75560	1.8
81.26668	2.3
93.07034	3.4
103.05478	29.7
119.08563	2.2
128.64594	2.1
131.04921	100.0
152.46619	2.2
187.11147	3.8
195.11600	3.2
209.13249	2.9
211.11214	7.3
219.11766	4.7
237.12718	21.5
255.13847	21.1
279.17511	3.4
297.14847	10.6
387.67270	2.3
487.32483	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	487.2149
Annotation	3-Deamino-3-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.13713	0.2
51.72138	0.2
54.45292	0.3
57.49068	0.3
63.05048	0.3
72.22523	0.3
76.89840	0.3
83.61605	0.3
89.52332	0.3
92.86471	0.3
112.57973	0.3
112.66652	0.3
165.21080	0.3
218.66571	0.3
265.85144	0.3
278.32672	0.3
312.61639	0.3
355.17099	3.0
487.21439	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	487.2304
Annotation	Verrucarin K
Peak:m/z	Relative Intensity
56.02769	0.4
59.50903	0.4
68.53830	0.4
69.11830	0.5
81.07032	0.7
83.36154	0.4
85.95339	0.5
87.16129	0.4
95.08608	0.9
105.07059	0.7
107.08611	1.1
109.06497	0.9
111.08133	0.8
121.06523	1.9
121.10101	0.6
123.04516	0.5
123.11680	0.5
133.10101	3.9
135.08099	0.7
143.08513	0.7
145.06465	5.4
145.10138	0.7
147.08046	2.5
161.09641	0.5
162.70381	0.5
163.07571	3.4
173.09592	0.9
183.11629	0.9
186.50192	0.5
199.11249	0.5
205.08571	0.8
221.13110	0.5
225.12666	0.6
248.66443	0.5
267.17279	0.6
285.18597	0.9
325.17822	0.6
367.18811	6.2
385.19788	1.8
427.20911	18.4
469.29657	1.1
487.23056	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	487.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65919	6.2
55.01881	7.3
65.70479	6.6
69.03399	11.0
69.07085	8.7
78.50326	8.8
79.05515	7.8
81.03408	11.1
81.07053	12.0
83.04964	8.1
86.42208	6.9
90.16393	7.0
93.07039	41.4
93.75401	7.9
95.04997	26.2
95.08594	33.6
97.06534	10.9
97.13821	9.2
105.03376	89.9
105.07025	35.7
107.08601	12.4
107.15287	6.9
109.06509	18.5
119.08565	43.8
121.06481	64.3
121.10130	32.4
123.08105	14.0
131.08517	9.3
133.06476	59.3
133.10104	39.3
135.08029	16.6
135.11656	10.7
137.05949	10.8
137.09613	13.9
143.08542	10.9
145.06500	9.3
145.10143	34.3
149.05977	40.8
149.09641	28.2
151.07533	15.7
155.08516	9.1
157.10138	45.0
159.08128	13.0
159.11681	8.5
161.09621	31.3
163.11171	15.6
169.10091	9.4
171.11668	35.1
173.09639	41.0
173.13202	10.5
175.07437	13.0
181.10121	14.7
183.11639	13.1
185.09607	39.8
185.13176	9.5
187.11160	17.8
189.12704	11.3
194.10887	9.4
195.11737	18.1
197.09634	9.9
199.11118	30.3
201.09023	8.5
201.12764	18.6
203.10670	8.2
209.09550	11.2
211.11095	16.1
213.12717	16.8
215.10762	15.0
221.13260	10.6
223.11159	15.9
223.14767	16.3
225.12775	10.6
227.10637	15.1
239.14301	15.3
241.12178	8.8
249.14897	8.7
253.15752	8.0
255.13785	9.6
255.17274	9.2
255.41782	9.1
257.15485	12.6
265.15860	40.1
267.13953	11.1
269.11987	7.8
281.15192	11.6
283.16943	44.9
293.15445	32.2
301.18045	11.9
311.16379	71.3
329.17468	100.0
347.18427	60.6
365.19522	51.4
408.80704	8.3
433.27112	8.6
469.29343	42.8
487.23181	50.8
487.30273	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	487.3055
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
50.47298	1.7
55.05507	4.8
57.03426	4.7
57.07079	39.7
67.05502	13.1
69.07053	3.7
70.64954	2.2
71.04993	4.5
79.53378	1.8
80.34586	1.8
81.07053	10.6
83.08607	11.9
93.07026	3.6
94.41100	1.9
95.08598	18.7
107.08572	2.3
109.10152	100.0
119.08588	3.1
127.11148	15.2
131.08617	3.0
137.13222	15.5
143.08589	2.4
147.08040	3.1
151.03894	13.0
155.14307	2.6
161.09616	9.6
163.11159	13.3
189.09023	3.3
189.12665	2.9
189.77916	2.4
191.10696	11.3
203.06958	2.6
217.12311	2.0
325.18164	2.3
345.24203	34.6
363.25143	16.7
413.75717	2.7
487.23886	4.6
487.30505	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39900	2.4
57.07070	5.9
59.73301	2.8
62.55098	2.9
67.05510	6.6
69.03420	3.2
69.07066	2.8
77.75526	2.6
79.05479	6.9
81.03426	11.9
81.07039	13.5
83.06754	2.8
91.05476	10.5
93.07035	30.7
95.04964	12.1
95.08609	31.2
105.07053	22.4
107.08605	27.1
109.10163	6.7
111.01124	2.6
117.07022	5.7
119.08549	36.4
121.10149	28.1
123.11679	3.0
130.98083	2.6
131.08578	26.2
132.21121	2.8
133.06499	12.0
133.10129	34.6
135.08022	23.1
138.24112	2.7
143.08557	14.0
145.10123	35.4
147.11693	11.4
155.08574	6.8
157.10080	20.2
159.08061	5.7
159.11661	17.6
161.09616	31.2
163.11124	3.6
165.14018	3.1
167.08578	11.0
169.10109	20.7
170.10878	3.9
171.11685	23.8
173.13286	3.6
179.08562	5.7
180.09264	4.9
181.10233	21.4
183.11682	12.9
185.13284	12.7
193.10153	4.2
194.10886	10.8
195.11742	22.2
195.13286	2.9
197.13211	12.1
199.11101	3.0
203.10522	3.5
207.11707	4.3
208.12497	14.2
209.13219	34.8
210.14183	3.1
221.13249	5.0
222.13974	5.7
223.14775	35.9
237.16185	3.9
250.17113	5.8
265.19473	100.0
283.20505	30.1
325.21570	58.3
343.22632	4.7
476.47205	3.2
484.42163	2.9
487.29965	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89228	0.8
52.72396	0.8
53.03942	3.8
55.01871	1.3
55.05512	10.7
56.45270	0.8
57.03428	1.2
57.07074	0.9
57.75459	0.7
67.05175	1.2
67.05508	27.7
69.07075	7.1
75.29083	0.8
79.05048	1.8
79.05495	45.4
79.05952	2.0
79.07037	0.8
81.03422	7.3
81.06592	1.3
81.07060	29.1
83.04980	8.4
83.08608	5.2
87.58202	0.8
91.05472	35.2
93.07040	35.1
95.04976	13.1
95.08606	18.3
97.06543	2.0
97.10160	1.8
99.08045	1.4
105.04543	1.4
105.07026	27.6
107.04949	5.7
107.08594	12.5
109.06495	4.1
109.10136	1.9
111.08058	1.0
117.06981	5.4
119.08573	18.8
121.06507	0.9
121.10130	4.1
122.24104	0.9
123.08061	3.6
129.06999	11.3
131.08588	1.4
133.10114	9.5
135.11731	1.5
143.08551	7.4
145.10146	7.4
147.07999	1.1
147.11671	17.3
161.09587	1.5
161.13255	9.0
171.11679	13.7
189.12680	6.9
207.13805	18.4
225.14786	1.5
263.16498	1.2
281.17511	1.8
304.20401	0.8
360.56714	1.2
469.29141	1.9
487.30569	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
55.01862	1.4
55.05522	10.1
65.03968	1.1
67.05509	37.2
69.07077	9.6
70.26562	1.0
71.04983	1.9
79.05492	60.7
81.03415	7.8
81.07054	39.0
83.04973	10.4
83.08624	4.9
85.06546	2.4
91.05481	41.0
91.06030	1.9
93.07037	43.2
95.04963	17.2
95.08606	21.6
97.06546	4.6
97.10155	2.2
105.04501	2.0
105.07025	33.5
107.04951	4.5
107.08605	14.6
109.06535	4.7
109.10192	1.7
117.07002	4.7
119.08580	21.3
121.10133	2.9
123.08086	5.8
129.06964	15.0
131.04932	2.2
131.08600	1.7
133.10144	10.7
135.11725	1.7
135.63664	1.2
143.08594	7.9
145.10088	9.8
147.08044	2.3
147.11664	20.2
161.09645	2.0
161.13283	6.4
171.11678	14.2
189.12802	6.1
207.13762	21.7
211.29346	1.2
228.46857	1.3
237.12819	2.4
241.16441	1.2
281.17545	1.8
312.06201	1.1
317.53827	1.4
487.30771	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	487.3058
Annotation	Vernoguinosterol
Peak:m/z	Relative Intensity
55.01860	1.3
55.05527	10.7
67.05219	1.4
67.05502	23.8
69.07057	6.7
73.06559	1.2
76.16001	1.3
77.03880	1.2
78.28408	1.3
79.05495	43.4
81.03415	6.5
81.07064	28.4
83.04989	10.9
83.08605	3.0
87.83768	1.4
91.05476	34.7
93.07037	36.9
95.04956	14.9
95.08601	20.9
97.06506	1.6
97.10136	2.4
105.04502	1.5
105.07015	23.9
106.71373	1.5
107.04951	1.9
107.08612	11.3
109.06482	2.7
109.10119	3.1
117.06979	5.8
119.08583	21.2
121.10139	2.9
129.07002	12.1
133.10104	7.0
143.08542	5.9
145.10129	6.2
147.08052	1.8
147.11696	18.1
153.05513	5.5
161.13254	5.5
171.11674	13.9
189.12711	2.5
207.13799	19.6
208.65277	1.4
225.14835	1.8
281.17584	1.7
469.29538	6.1
487.30478	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	487.3056
Annotation	Hyrtiosin B
Peak:m/z	Relative Intensity
55.05492	3.4
56.91563	2.0
67.05505	13.2
69.07087	31.5
71.50845	2.1
79.05504	2.8
81.07051	41.5
83.04971	2.6
83.08660	2.6
84.45415	2.3
85.85951	2.6
91.05439	4.8
93.07033	20.4
95.04984	3.5
95.08609	5.1
97.06526	4.3
99.08116	5.6
105.07027	4.8
107.08630	21.8
107.09249	3.4
109.06513	6.0
109.10150	37.2
111.08089	4.5
119.08577	14.8
121.10129	10.1
123.08041	5.2
123.11722	4.7
125.09624	11.0
131.08586	10.4
133.10104	3.8
135.08018	3.7
137.05946	12.7
143.08545	12.6
145.10118	17.7
147.08095	3.7
147.11723	4.1
155.07042	3.3
157.10118	10.9
159.08038	3.2
159.11662	12.9
161.09590	5.3
163.11224	9.5
165.12721	11.1
169.10095	4.9
171.08061	5.0
171.11678	5.9
173.09671	20.3
173.13217	2.9
175.11130	2.9
183.11755	3.1
185.13202	3.9
189.09065	4.6
191.10680	12.4
195.11803	3.5
197.13289	16.8
199.11160	3.5
201.12735	3.0
209.11649	4.5
209.13422	3.9
211.11252	3.6
213.12799	4.4
221.13167	5.2
225.12697	15.1
231.13721	4.2
239.14293	5.2
247.14702	3.1
249.14807	12.6
255.17419	4.4
265.15753	4.1
281.15329	3.3
283.16888	17.4
291.17618	3.7
299.16373	5.9
301.17975	42.6
313.18051	3.3
315.19485	2.9
317.19177	3.0
323.20163	3.8
327.19315	5.2
329.20984	5.9
335.20139	3.0
339.19687	5.6
341.21136	6.3
353.21088	30.7
354.21948	13.6
371.22321	4.6
391.26208	5.6
409.27332	67.5
427.28445	73.9
440.94128	2.8
445.29480	5.7
469.29495	36.7
471.11270	2.8
487.23788	4.9
487.30594	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	487.3055
Annotation	Hydrocortisone cypionate
Peak:m/z	Relative Intensity
51.47340	0.6
55.05519	4.5
57.03435	1.6
67.05516	1.2
69.03444	0.7
69.07069	12.7
72.36316	0.6
75.12593	0.7
77.84185	0.6
78.04441	0.7
79.05506	0.8
81.07059	7.7
83.04994	2.4
83.08608	5.6
86.81841	0.6
91.05507	0.9
93.07047	5.2
95.08611	16.1
97.06519	3.2
97.10168	4.6
105.03400	0.8
105.07014	2.5
107.08584	3.7
109.06522	2.4
109.10155	2.6
111.08081	3.3
111.11710	6.4
113.09648	3.5
119.08584	2.7
121.06523	1.3
121.10147	7.9
123.08086	2.9
123.11701	7.4
125.09636	1.4
127.07570	0.9
131.08585	4.1
133.10118	3.7
135.08047	0.8
135.11642	1.2
137.06024	0.8
139.11186	11.1
141.09109	2.7
143.08615	4.5
145.10141	6.8
147.08055	2.9
147.11642	1.4
149.09639	0.6
149.13246	0.8
149.82086	0.6
151.11215	0.8
155.08582	3.0
157.10234	1.4
157.12262	1.1
159.08058	1.2
159.11664	1.0
161.09589	1.5
165.95853	0.7
167.10712	0.9
169.10068	1.4
171.08034	3.9
171.11723	1.2
173.09625	9.6
173.13281	3.6
181.10287	0.7
181.90625	0.7
183.11693	2.5
185.09525	1.0
185.11746	6.8
185.13194	2.3
189.09140	1.4
191.10643	7.2
195.11710	2.9
197.09816	1.0
197.13271	2.7
199.11217	1.3
199.14824	1.5
201.12859	0.9
207.11768	1.2
209.09727	0.9
209.11703	2.8
209.13432	1.0
211.11186	3.6
211.14894	2.6
213.12714	4.3
215.14288	1.1
223.11243	3.3
225.12740	6.5
226.13571	0.6
227.14258	3.3
231.13893	1.1
235.14795	1.5
237.12703	3.0
237.16417	3.9
239.14378	1.5
239.17944	3.0
251.14211	2.2
252.15076	0.9
253.15703	0.9
257.15436	0.7
263.14407	2.5
265.15881	5.8
267.17438	3.9
269.15192	1.1
281.15427	5.3
283.16904	10.5
285.18503	10.5
295.20752	1.0
299.16415	21.7
301.17969	32.2
302.18698	0.7
303.19571	20.9
307.17010	1.1
311.19858	0.8
321.18436	1.0
327.19476	0.9
329.21106	2.5
339.19937	0.8
387.27023	1.1
405.27753	1.3
411.25418	0.7
415.26108	0.8
423.28973	2.7
433.27460	1.4
441.29892	2.6
451.28430	10.1
469.29590	26.8
487.30576	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	488.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70800	1.2
53.36935	1.3
55.01884	10.8
65.66460	1.2
67.79401	1.3
72.08144	1.8
75.08666	1.4
75.29588	1.6
81.03402	2.1
83.06108	1.9
84.04513	27.2
86.09727	2.0
92.17947	2.0
103.94265	1.5
104.05824	1.5
105.06980	1.7
112.03964	20.4
127.03914	1.8
129.06589	22.9
130.04996	100.0
133.06480	1.9
149.04225	2.8
155.01619	11.0
157.04114	1.6
161.05948	5.9
162.06735	19.4
163.07509	2.1
167.01599	2.3
167.05283	11.7
169.03223	3.0
175.05797	2.0
177.03680	8.1
179.01599	86.6
179.07053	2.0
181.03328	1.9
192.06468	1.9
193.03262	2.6
195.04742	78.8
196.04315	6.4
203.05252	30.9
208.09676	2.2
213.05698	2.0
221.06316	20.2
226.24107	1.6
238.07031	10.3
238.09123	2.9
239.07289	7.0
249.05736	2.8
254.10197	2.3
281.05923	8.4
282.04288	12.1
308.14932	2.0
308.18338	2.0
324.09076	11.2
326.19656	8.2
341.11768	2.1
342.10007	6.9
359.12714	83.2
409.20746	1.5
413.13840	11.3
488.16620	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78746	0.4
56.26121	0.4
59.13664	0.4
75.91977	0.4
79.98061	0.5
85.02869	0.5
163.24037	0.5
163.71428	0.5
165.09067	1.0
168.13695	0.4
181.06445	2.3
209.06009	4.0
219.10133	0.7
221.09586	1.7
223.11110	1.0
225.05434	0.8
225.09041	2.3
226.06232	0.7
227.06953	2.7
229.04836	1.8
231.10190	0.5
238.09726	0.6
239.10571	2.7
243.06505	2.1
243.10002	0.5
249.09058	0.5
257.11578	1.5
263.14209	0.7
266.09323	0.7
267.10162	2.4
267.13651	1.0
269.11722	17.3
284.10410	0.5
285.11331	4.1
285.14389	0.6
291.13885	0.9
309.14795	3.1
327.15878	100.0
471.30563	0.6
472.34634	0.5
489.21140	45.0
489.32285	1.3
493.96378	0.5
511.85019	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	489.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32029	2.2
61.39832	2.5
69.03395	3.1
69.07043	2.8
74.07349	2.2
79.05492	2.5
89.88741	2.6
91.05493	5.1
93.07009	3.9
95.08559	2.6
100.49570	2.8
103.05462	24.2
105.07076	3.1
107.08575	2.5
109.06497	2.9
119.08550	4.2
121.50114	2.7
129.06993	4.3
131.04932	100.0
131.08638	2.9
140.43523	2.7
141.07014	3.5
143.08586	9.9
147.08136	3.3
155.08562	12.9
156.09309	3.7
156.73816	2.8
161.09644	2.6
165.06924	3.9
167.08575	4.0
169.10078	16.2
178.07741	10.0
179.08574	21.5
180.09386	5.0
181.10172	6.4
183.11688	4.3
191.08603	14.0
192.09387	14.6
193.10149	19.2
195.11728	11.1
197.09554	3.7
197.13245	4.6
205.10197	5.0
206.10934	60.2
211.14822	12.3
221.13260	91.8
221.15443	3.3
237.12648	3.1
239.14299	54.0
281.15448	14.3
299.16998	3.2
369.18774	5.1
447.21701	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91064	0.4
64.96159	0.5
79.94251	0.5
82.76908	0.5
203.05331	2.8
248.14560	0.6
275.07336	4.8
335.06210	1.0
335.09464	91.5
489.23068	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	489.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34248	0.7
53.67969	0.6
59.84512	0.6
69.07063	1.0
85.41038	0.8
117.01114	0.7
120.06659	0.8
122.10883	0.6
133.37756	0.7
137.05937	3.0
157.82191	0.7
188.98497	1.4
201.03725	1.2
203.05243	3.0
275.07294	3.1
327.08844	0.9
333.07889	45.2
335.09421	47.1
346.89297	0.8
476.34686	0.9
489.14944	3.1
489.23019	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	489.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	56.1
62.63044	4.5
67.05492	6.5
69.07042	7.2
72.09219	5.4
79.05488	6.0
81.07037	23.2
83.04979	96.8
85.06529	5.1
91.05448	9.3
93.07039	45.7
95.04951	35.1
95.08602	41.4
97.10162	10.3
99.08099	5.3
101.42179	5.2
105.07023	38.2
107.05005	8.1
107.08597	13.5
109.06499	22.4
109.10158	11.0
110.03301	5.4
113.09565	4.8
119.08562	21.4
121.06454	60.2
121.10138	25.4
123.04444	8.5
123.08073	12.0
125.05911	8.0
125.09620	11.4
131.08562	11.0
131.35327	5.9
133.06497	26.9
133.10120	56.3
135.04402	6.9
137.05954	13.1
139.07535	6.8
141.09047	7.9
143.08569	23.6
145.10139	44.0
147.08034	6.5
147.11583	6.1
149.05966	39.0
151.11125	12.7
155.08493	8.5
157.10124	26.5
159.08040	8.7
161.09608	26.4
163.11122	20.9
167.07013	12.0
167.08481	7.1
169.10120	34.4
171.08015	7.9
171.11694	31.2
173.09581	22.6
175.11224	10.2
177.05457	34.6
181.10104	11.4
183.11754	13.2
185.09601	11.9
185.13219	5.6
187.07506	6.9
189.09174	6.2
189.12706	8.7
191.07031	6.6
191.10672	13.4
193.10103	9.8
195.11551	18.2
197.09567	7.2
197.13231	9.9
199.11237	38.6
201.08987	6.6
201.12639	7.0
207.11751	5.7
209.09682	6.8
211.11177	12.5
221.13257	10.2
222.70869	5.8
223.11104	9.6
223.14711	7.2
225.12794	6.3
227.10678	11.1
232.12386	7.8
237.12804	7.5
237.16385	6.9
239.14301	24.7
241.12123	7.1
247.14851	9.3
251.14317	7.1
255.17371	9.3
257.15341	9.2
265.15903	21.8
267.13763	12.4
269.15256	8.3
275.14426	8.9
283.16806	42.1
293.15323	13.3
301.17941	65.6
311.16345	51.3
329.17413	56.2
371.18469	10.3
389.19620	90.3
453.30197	7.9
469.83340	6.4
471.31082	36.0
482.07568	5.6
489.20035	35.4
489.25073	36.5
489.31345	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	489.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19598	4.0
52.28575	3.5
55.01905	3.5
55.05522	29.4
58.40607	3.4
81.07073	6.0
83.04979	91.9
91.05487	6.7
93.07030	23.3
95.04956	17.8
95.08590	7.6
97.06532	9.1
105.07038	8.3
109.06521	7.1
114.53171	4.0
119.08550	6.5
121.06476	18.1
125.05986	4.5
131.08490	6.2
133.06491	8.6
133.10115	26.3
137.05945	35.0
137.09641	4.6
143.08562	8.8
145.06483	7.4
145.10129	16.4
147.08055	8.4
149.05988	20.9
151.07527	6.2
155.08493	7.4
157.10179	5.1
159.08043	7.9
159.11661	5.2
161.09634	7.7
163.11160	5.6
167.07074	4.3
169.10091	16.4
171.11684	7.3
173.09572	5.8
177.05470	16.0
179.08488	8.3
181.10123	23.6
183.11745	6.5
185.09723	6.3
187.11160	5.9
192.09274	4.6
195.08134	4.4
195.11685	9.3
197.09683	4.7
197.13240	5.6
199.11206	9.6
207.11655	9.6
208.12512	4.2
209.09674	5.1
209.13261	9.0
211.11131	5.5
215.10664	4.5
217.12227	4.9
221.13292	8.7
223.11168	5.9
223.14774	5.1
225.12733	7.0
227.10622	5.5
227.14227	5.0
239.14279	8.1
241.12270	5.5
241.15776	7.4
251.14342	6.1
265.15842	7.4
267.13828	4.6
269.15247	9.8
283.17004	7.8
286.29782	4.0
287.16269	4.9
293.15387	5.5
301.18036	6.3
303.10217	5.6
311.16299	16.6
329.17508	30.1
335.12875	16.2
345.17096	5.1
371.18417	8.3
389.19421	36.5
412.15060	4.4
445.22214	8.9
489.18985	10.6
489.25006	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	489.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66349	1.6
52.31872	1.6
52.79858	1.6
53.28722	1.8
55.05524	20.2
59.35894	2.0
69.03408	1.7
70.00709	2.0
79.51540	2.1
81.07093	3.0
82.52917	1.9
83.04988	62.2
86.23358	2.0
91.05454	4.1
93.07029	8.3
104.28793	2.2
105.07010	3.7
109.06488	3.9
114.87073	2.1
119.08530	2.5
121.06510	3.4
122.67892	2.1
123.08057	3.0
131.08492	2.8
133.10124	3.8
135.07997	2.4
135.11711	2.2
135.50618	2.7
143.08582	4.3
144.28012	2.1
145.10162	3.0
147.08051	8.6
149.05873	3.4
155.08562	2.8
157.10164	2.8
159.11676	2.5
161.09660	4.6
163.11014	2.3
167.08575	4.2
169.10097	8.4
171.07996	4.2
171.11720	3.4
173.09547	4.2
177.09123	2.2
179.08458	2.8
181.10143	8.9
185.09610	5.0
189.09152	2.2
193.10146	3.0
195.11707	13.8
197.09648	4.0
197.13290	4.7
199.11139	3.3
203.10695	3.0
206.10997	4.0
207.11711	3.2
208.12601	2.6
209.09624	4.5
209.13158	3.9
211.11162	3.6
213.12868	3.1
215.10724	2.0
223.11145	2.9
223.14880	8.9
225.12793	3.3
227.10646	3.2
235.11053	3.1
239.14305	3.5
241.12457	2.6
251.14362	2.6
263.14578	2.3
267.13663	2.9
269.15204	4.0
283.16925	3.4
285.14926	8.7
287.16309	2.7
311.16464	3.6
329.17554	13.6
389.19650	8.8
445.22290	18.1
489.24802	100.0
500.72037	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	489.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46198	6.5
58.79523	8.3
65.78569	7.1
67.05504	18.5
73.26126	8.6
73.85622	7.3
78.35184	7.5
78.78576	8.1
79.05511	11.4
81.07054	18.4
82.60791	9.3
83.08621	9.5
91.05450	21.1
93.07024	19.8
94.21548	8.4
95.08590	16.4
103.05470	18.2
105.07033	16.2
107.08614	17.1
119.08574	14.4
123.34337	10.4
131.04951	100.0
133.10100	13.0
143.08560	13.3
145.10146	12.8
146.01904	9.6
157.10138	16.5
183.11623	10.4
184.92021	9.8
233.13156	9.8
281.19040	20.0
332.14929	8.8
379.09015	8.4
405.01505	10.1
489.31473	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	489.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07102	8.4
68.46677	6.5
69.07060	15.8
71.26485	6.3
73.56706	7.5
81.07077	10.5
83.08582	7.4
91.05489	7.4
93.07041	8.9
95.08529	6.8
99.56197	6.7
103.05444	11.4
105.07035	14.8
107.08556	14.3
119.08571	9.3
120.56473	6.6
124.00843	7.0
126.21461	7.5
131.04909	100.0
131.08672	7.5
137.60588	8.4
145.10133	10.8
155.08559	9.4
157.10133	14.2
168.09319	9.7
169.10091	27.4
183.11655	59.3
185.13219	10.1
226.93947	8.1
281.19037	34.8
341.21228	13.6
489.26016	7.1
489.35654	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	489.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.9
67.54961	1.7
67.82902	1.9
69.03078	1.6
69.07055	2.8
79.05488	2.3
81.07070	2.5
91.05464	4.3
93.07021	10.0
95.08594	9.8
99.16261	1.9
103.05475	28.2
105.07063	16.4
107.08611	4.6
109.10136	9.9
117.06964	2.5
119.08566	17.3
121.10143	14.0
123.11682	4.8
128.06250	2.2
129.06973	3.5
131.03949	3.5
131.04930	100.0
131.08548	11.9
133.10114	23.2
135.11754	3.4
135.58574	2.2
137.09563	2.9
143.08574	13.8
145.10124	11.3
147.11743	2.7
155.08556	11.0
157.10124	11.8
159.08093	3.2
159.11685	4.8
161.09628	3.6
167.08554	3.9
168.09314	2.9
169.10094	13.3
171.11678	10.8
179.08478	2.4
181.10141	9.6
183.11668	15.9
193.10179	3.6
194.10927	3.0
195.11702	4.3
197.09561	4.4
197.13283	8.6
199.11128	2.4
206.10988	3.2
207.11710	7.7
209.13252	8.7
211.11180	13.2
219.11679	4.4
221.13231	7.6
223.14897	4.2
225.12715	7.7
233.13245	2.7
237.16437	4.4
239.17899	3.5
248.15446	3.1
251.17981	2.4
251.78775	2.4
253.19582	10.1
263.17963	16.2
264.71909	2.6
281.18951	40.6
299.20160	14.0
341.21011	3.4
429.24313	9.3
489.26279	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	489.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15115	1.6
54.48227	1.5
55.05524	1.8
57.29319	1.9
62.62847	1.9
67.05502	2.1
69.07057	10.1
75.30552	1.7
76.22311	1.8
81.07069	8.1
83.08620	3.3
91.05473	8.3
93.07043	8.5
95.08609	9.2
97.06520	3.6
99.89236	1.7
103.05458	22.7
105.07047	19.0
107.08598	4.1
109.06504	1.9
109.10151	8.9
117.06991	4.0
119.08559	21.0
121.10105	8.4
125.09619	2.3
128.06230	1.9
129.07005	6.8
131.04935	100.0
131.08556	13.9
133.10132	16.5
137.09657	2.5
141.06970	9.0
142.07843	3.3
143.08585	19.7
144.83588	1.9
145.10080	16.3
149.09634	2.0
155.08533	15.4
156.09303	3.5
157.10138	15.5
159.11690	10.2
161.09570	4.1
168.09360	4.3
169.10120	21.0
171.11633	8.2
173.09584	2.9
179.08492	2.4
181.10075	4.6
183.11708	39.9
185.13254	12.1
193.10129	8.8
195.11676	10.4
197.13232	15.2
199.14856	3.3
207.11665	10.3
208.12520	7.8
209.13307	4.2
211.11150	3.7
211.14854	10.1
221.13208	7.5
223.14832	12.6
225.12822	3.2
225.16475	3.0
237.16481	2.0
239.14363	7.6
239.17815	3.4
242.17174	1.8
253.19537	10.2
259.14056	2.0
263.17993	8.0
281.18991	50.2
299.20001	11.3
341.21155	21.3
429.23978	2.6
489.26370	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85818	5.0
77.25639	4.8
81.07073	6.0
92.17838	6.1
95.08594	6.1
103.05495	10.2
104.83106	5.5
105.07050	10.0
107.08596	6.6
109.10149	6.1
119.08583	100.0
121.10161	8.4
131.04907	65.3
131.08633	7.0
133.10112	10.1
145.10078	6.3
147.08015	6.0
161.09599	10.9
171.11748	6.9
173.09743	6.5
209.13268	7.9
241.15840	9.6
281.18997	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89944	3.0
55.05518	8.2
57.03432	8.1
57.07074	5.5
61.24841	2.8
66.61742	3.7
67.05512	44.0
67.19391	3.4
69.07076	14.5
79.05486	28.5
81.07060	58.4
83.08603	3.9
91.05482	16.9
93.07049	43.3
95.08617	43.9
98.98473	52.7
105.07026	16.4
107.08584	31.8
109.10154	23.4
110.28190	3.5
117.06989	3.5
119.08578	16.8
121.10124	29.5
123.11694	4.9
129.31094	3.7
131.08582	9.1
133.10170	8.3
135.11690	24.9
136.99937	4.5
145.10153	9.0
147.04483	4.6
147.11687	5.9
149.13298	16.2
155.01028	89.8
159.11710	8.3
161.13330	5.2
163.14848	4.5
173.13316	4.2
175.14777	4.2
187.14853	3.6
213.66243	4.0
229.04733	4.5
243.21178	13.8
261.22153	28.0
304.74731	4.2
317.24930	5.5
335.25772	100.0
466.26022	4.9
471.25012	41.1
489.26227	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	489.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88927	2.4
57.07067	14.2
69.07067	3.9
77.54465	3.4
79.05494	3.8
81.07043	4.4
83.08584	3.7
91.05491	4.2
93.07019	14.2
95.08599	6.5
96.15619	3.2
97.06518	20.3
103.05468	13.4
105.07015	12.9
107.08557	11.4
119.08580	16.3
123.08029	4.5
129.07028	4.0
131.04913	56.6
131.08551	5.3
133.06458	4.1
133.10106	12.2
135.08055	4.2
137.09666	3.4
143.08575	21.3
145.06433	10.7
145.10101	13.9
147.08025	6.8
147.11702	6.6
149.09697	3.6
155.08559	29.1
156.09309	7.7
157.10149	19.8
158.57269	3.1
159.07988	3.9
159.11693	18.0
163.89554	3.1
168.09332	3.9
169.06485	3.4
169.10086	23.0
171.11655	28.1
175.11131	5.5
181.10112	5.7
183.11687	53.2
185.13318	7.1
187.11240	4.2
193.10054	5.6
195.11711	6.6
196.12480	14.9
197.09589	5.1
197.13245	35.2
207.11702	7.0
209.13347	16.1
211.11200	6.0
211.14784	6.3
219.11726	6.0
221.13165	4.2
223.14836	5.3
225.12766	6.7
225.16426	3.7
239.14249	5.9
239.17926	100.0
249.16541	23.6
267.17380	51.3
281.18982	22.0
285.18512	18.5
299.20056	7.4
327.19510	68.3
341.21060	11.2
489.28510	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2848
Annotation	Isocochlioquinone C
Peak:m/z	Relative Intensity
52.36364	0.6
55.05519	7.4
67.05489	1.7
69.07071	5.6
71.05005	0.7
79.05486	0.9
81.07075	4.8
83.08150	1.3
83.08616	22.8
87.08097	3.7
91.38280	0.7
93.07046	3.3
95.04980	1.2
95.08010	1.2
95.08601	25.3
97.06517	1.6
97.10176	3.2
105.07018	3.6
107.08592	3.7
109.10117	1.5
111.04394	0.9
111.08077	18.2
111.11704	1.5
113.09627	8.5
119.08562	6.3
121.06471	1.2
121.10132	14.6
123.04428	1.6
123.11659	1.0
129.07021	1.1
131.08530	3.1
132.65266	0.7
133.10101	2.7
135.08124	0.6
135.11780	1.1
139.11165	9.1
142.28130	0.8
143.08539	1.1
145.10136	3.3
147.08018	3.8
147.11684	5.5
151.03894	100.0
155.97270	0.7
157.06461	0.7
157.10120	2.7
157.12218	1.3
159.08041	13.4
159.11661	3.9
161.05978	4.2
161.09604	17.9
161.13242	1.5
161.99330	0.8
163.11169	4.8
163.14864	0.8
167.50224	0.7
171.11673	5.8
173.09586	1.5
173.13231	2.8
175.11197	10.0
183.11662	1.5
185.13307	1.0
187.07538	21.8
187.11131	1.4
189.09143	5.4
189.12735	27.6
191.10651	3.9
199.11206	3.8
201.12718	3.2
207.06387	0.7
212.60344	0.7
213.12770	4.9
217.12231	17.4
219.13792	1.4
241.12181	4.0
245.11711	13.1
299.16553	0.9
311.20016	1.7
325.17688	1.1
329.21072	30.5
329.24915	1.3
341.17609	6.0
347.22269	3.9
367.19778	0.8
380.31128	0.7
401.49786	0.7
435.25333	1.6
453.26169	28.4
471.26340	5.8
489.28461	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	489.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77869	2.3
50.81599	2.4
52.59909	2.9
55.05522	3.5
63.36970	2.5
65.29726	2.5
65.30092	2.7
66.81635	2.4
67.05489	5.1
69.03430	6.7
76.04533	2.3
79.05492	5.5
81.01216	2.9
81.03426	37.7
81.07056	12.1
91.05475	6.5
93.07044	50.9
95.04980	22.7
95.08610	15.3
105.07026	21.1
107.08591	39.0
109.06527	5.1
109.10160	17.9
117.07032	5.2
119.08562	28.5
121.10126	12.4
123.11678	2.9
131.08575	6.5
133.06456	3.6
133.10158	47.8
135.08058	100.0
135.80930	3.0
143.08571	6.5
145.06465	5.2
145.10109	17.1
147.11665	5.7
155.08464	3.6
157.10165	6.3
159.11696	11.6
161.09607	96.3
163.11148	15.2
166.13284	2.9
171.11697	4.6
173.13191	3.5
199.11217	3.1
200.38774	3.4
201.12712	5.8
221.28676	2.9
227.14333	5.4
241.16005	3.3
265.19537	6.2
283.20578	45.8
319.34973	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	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11952	5.7
52.52934	5.6
55.05511	6.2
59.35638	6.0
64.00412	6.1
67.05514	12.1
70.36948	6.0
73.25737	6.3
81.03425	52.3
81.07062	16.8
83.08649	6.7
91.05463	6.9
93.07051	56.2
95.04948	14.8
95.08591	10.8
105.07040	14.8
107.08583	31.8
109.10114	10.8
119.08572	34.7
133.10130	41.3
135.08055	100.0
135.11676	10.1
145.10132	14.9
147.11673	10.8
157.10092	8.5
159.11739	10.6
161.09587	93.8
171.11784	7.5
173.13335	6.7
177.70483	7.1
214.14447	7.2
220.42888	7.7
265.19360	10.9
283.20499	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3211
Annotation	Cilistol f
Peak:m/z	Relative Intensity
55.05328	1.0
55.05519	16.9
57.03434	2.1
59.37984	1.4
62.05537	1.3
63.50122	1.3
67.05503	2.2
68.86185	1.3
69.07053	9.1
69.39401	1.2
74.11271	1.2
81.07048	5.3
82.86300	1.4
83.04987	16.5
83.08583	2.0
85.06554	2.9
93.07045	2.3
95.08605	23.0
97.10152	6.1
99.08064	2.6
107.08592	5.7
109.10169	2.0
111.08112	2.6
113.09647	8.6
119.08600	2.9
121.06384	1.3
121.10175	2.8
123.08092	3.2
123.11685	7.5
123.98537	1.3
125.09648	2.5
135.08092	1.4
135.11674	1.9
137.09680	1.3
141.09096	10.9
141.12749	1.7
147.11658	2.5
151.11221	4.4
173.09612	9.0
173.13287	2.0
177.39999	1.5
177.66905	1.4
180.10637	1.5
189.09190	1.7
191.10666	8.6
209.07878	1.4
209.11679	1.6
213.12711	3.3
227.14044	1.6
231.13774	2.7
249.14748	3.2
255.17412	2.1
265.15900	3.1
283.16986	7.0
295.20715	1.9
298.88712	1.4
301.18024	29.9
313.21616	1.5
319.99777	1.7
329.21167	1.4
331.22623	7.5
337.21594	1.5
373.23795	2.0
377.24799	1.5
413.27032	12.4
417.28265	1.7
435.29010	3.0
453.30081	8.7
471.31177	27.9
489.32101	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	489.3211
Annotation	Cilistol f
Peak:m/z	Relative Intensity
55.05503	3.8
67.05488	1.3
69.07072	10.9
79.05482	1.7
81.07054	6.5
82.74290	0.7
83.04981	0.7
83.08619	2.6
83.64361	0.7
86.07720	0.6
91.05453	0.9
93.07054	6.1
95.04937	0.7
95.08605	12.6
97.06487	1.0
97.10151	3.2
105.07030	4.1
107.08601	8.0
109.10144	4.0
111.11716	7.2
113.09628	1.7
119.08598	3.2
121.06505	5.6
121.10114	4.3
123.08022	0.8
123.11717	4.2
125.09637	1.1
131.08554	2.7
133.10141	4.0
135.08054	1.6
135.11700	2.7
139.11212	7.7
141.09003	2.3
143.08549	2.9
145.10114	5.0
147.08031	4.4
147.11665	5.5
149.09631	1.0
149.13245	1.0
151.11221	1.0
157.10080	2.9
159.08070	1.3
159.11745	1.6
161.09602	4.3
161.13181	0.7
169.12262	0.9
171.08054	1.6
171.11674	1.5
173.09605	9.3
173.13069	1.0
175.11153	1.1
181.10042	0.7
183.11671	1.0
185.09726	0.7
185.11758	0.8
185.13251	1.5
187.11253	1.2
187.14813	0.8
189.09151	3.8
191.10661	11.3
193.10094	1.1
195.11731	1.5
197.13277	2.6
201.16440	0.8
209.11685	4.1
211.14828	1.2
213.12563	0.7
221.13367	0.6
223.14960	1.1
225.12840	1.0
227.14256	8.6
229.15918	3.8
234.53474	0.7
237.16295	0.8
239.14218	1.1
239.17967	2.5
243.17471	1.1
249.16592	1.0
253.15746	0.7
265.16104	0.7
267.17444	6.5
283.16992	1.4
285.18451	8.6
299.16589	0.8
301.17966	5.0
302.18784	0.9
303.19495	4.1
309.18561	0.7
338.01169	0.7
453.29990	1.1
471.31055	6.3
489.32077	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
60.57433	1.1
61.41946	1.1
67.05502	4.8
68.86845	1.1
69.03422	5.0
69.07059	6.5
79.05489	2.1
81.03425	17.2
81.07069	10.5
83.08601	2.3
91.05489	5.1
93.07058	18.0
95.04950	8.1
95.08602	12.1
96.88747	1.3
97.06532	1.6
97.10170	18.5
105.07013	8.8
107.08605	17.1
109.06484	2.4
109.10144	16.3
111.08101	2.0
117.07061	1.2
119.08585	10.7
121.10137	7.9
123.08038	2.1
123.11700	2.1
125.06037	1.4
125.09618	2.5
131.04898	1.3
131.08585	2.6
133.06516	1.5
133.10138	13.1
135.08054	30.3
135.11688	1.3
137.09619	10.5
139.07524	1.4
139.11143	1.6
143.08589	1.9
143.10707	2.1
145.06491	4.7
145.10095	9.5
147.11665	5.7
149.09628	6.8
159.11737	4.2
161.09602	25.9
161.13232	2.5
163.11169	6.4
165.09100	100.0
173.13303	1.8
175.11087	1.5
177.09140	4.7
177.12750	1.3
185.13203	1.5
187.11241	1.9
189.09076	2.9
189.12729	1.8
191.10669	2.0
195.11720	1.4
199.11159	1.5
199.14784	1.9
203.10680	16.9
205.12212	17.7
213.12788	2.5
217.12201	1.5
223.14583	2.0
241.15897	2.5
243.13988	1.4
265.19495	2.5
283.20517	17.0
301.21527	2.0
315.19421	2.5
343.22736	4.4
410.95898	1.4
437.55740	1.3
453.30115	5.7
471.31207	15.9
489.32043	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42877	0.5
53.82748	0.6
70.54360	0.7
74.49968	0.7
74.78411	0.7
100.72132	0.6
115.94185	0.8
120.39957	0.7
145.06258	11.4
219.47151	0.7
294.49487	0.8
459.34354	5.3
471.34433	7.4
489.35486	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	489.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87708	0.8
65.29305	0.9
88.23059	0.9
100.21712	0.9
145.06242	23.8
195.84576	1.0
207.12396	1.1
231.83302	1.4
453.33511	1.3
459.34717	1.9
471.34427	39.8
489.35464	100.0
492.96457	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	490.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36849	0.2
55.26336	0.2
57.03421	0.3
61.02926	0.5
67.98711	0.3
69.03394	1.3
71.47549	0.3
75.10699	0.3
81.03436	0.5
85.02903	6.0
85.63010	0.3
89.03905	0.6
94.10824	0.3
96.68976	0.4
97.02869	1.8
105.32330	0.3
107.15810	0.3
109.02890	0.5
112.17549	0.3
117.03389	3.3
127.03951	0.4
135.07387	0.4
145.02843	34.5
149.05952	1.5
154.62161	0.3
177.05457	100.0
209.02582	0.6
274.62552	0.3
318.31830	0.3
367.52463	0.3
490.14279	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	490.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21303	1.7
57.49454	1.6
63.33926	1.6
64.25407	2.1
70.17184	1.9
74.02452	14.9
74.96531	1.7
81.03403	4.2
84.04495	60.0
85.02914	3.2
86.16436	1.7
88.03996	21.0
97.43557	2.2
102.05537	36.0
103.31654	2.0
104.71084	1.9
109.02872	8.9
116.03440	11.3
130.04999	50.5
130.05940	1.8
133.06033	2.4
133.77422	1.8
134.04477	34.4
148.06047	100.0
156.47649	2.0
163.79549	2.0
195.08702	6.9
200.39703	1.7
257.38370	2.0
260.50995	2.2
394.21948	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	490.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60594	0.7
53.03969	0.9
55.01869	1.7
57.03428	3.7
58.04621	0.8
65.35121	0.7
69.03416	3.5
71.05001	1.0
72.08121	1.0
73.02906	4.0
79.05505	3.1
79.83807	0.8
81.03423	8.5
85.02894	9.8
85.06532	1.1
97.02888	33.9
99.04453	18.4
103.05469	1.8
103.07588	8.6
106.06552	57.0
107.04953	11.8
109.02877	100.0
115.52009	0.9
117.05547	0.9
120.08119	1.5
124.23615	1.0
127.03906	24.4
131.04918	46.2
134.09642	1.7
137.79047	0.8
139.03963	0.9
145.04947	14.0
145.05956	1.4
147.04428	1.6
149.05966	4.4
166.08607	1.3
198.11209	0.9
205.07071	52.9
257.10272	1.0
272.36176	0.9
310.12848	12.4
328.13867	13.2
459.74744	1.0
472.18185	1.7
490.18976	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55415	0.7
53.86707	0.8
56.64483	0.8
57.03442	7.8
59.05018	0.7
61.02939	1.3
66.49530	0.8
67.61900	0.9
69.03439	0.9
71.04993	76.4
73.02896	2.1
75.04469	1.7
80.81222	0.7
81.03404	1.4
83.04974	5.4
85.02906	100.0
86.14465	0.8
87.04472	1.4
97.02872	2.2
99.04494	1.5
105.07020	1.1
111.04420	3.7
124.05197	1.7
127.03896	5.0
129.05476	34.7
133.06483	1.4
137.05997	6.0
145.04945	1.7
147.06540	12.3
164.09195	5.1
165.09132	7.3
177.64879	0.9
196.31248	0.9
255.08527	1.3
265.62491	1.0
273.09454	0.9
309.11761	1.8
364.56906	1.0
490.26907	1.7
490.79306	1.0
501.92749	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	490.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21918	0.8
64.04823	1.0
64.67622	0.9
65.68909	0.9
70.15731	0.9
71.66682	0.9
78.50315	0.9
79.05477	6.3
105.07012	2.3
107.04951	60.8
112.04147	1.1
117.06969	1.6
120.54211	1.0
129.06970	1.3
131.08592	4.5
134.09653	52.3
143.08539	2.1
149.05995	11.8
155.08589	3.4
157.10110	2.0
165.06952	10.0
166.07730	1.7
167.08568	23.6
169.10117	5.3
179.08551	25.2
180.09305	18.2
181.10120	21.5
183.11739	1.5
193.10150	6.3
194.11749	29.2
195.08051	4.2
195.11662	8.4
196.08882	1.4
204.09383	1.7
207.08124	2.3
207.11740	6.4
208.08759	1.3
208.12453	6.7
209.09857	1.5
209.13239	63.3
211.14818	4.8
219.11732	5.6
221.09633	1.1
221.13359	1.4
222.10374	12.1
237.12721	35.7
239.14265	2.5
255.13730	1.9
287.50412	1.1
297.14874	6.9
299.16330	10.0
490.25861	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	490.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31863	0.7
52.38166	0.9
53.54537	0.8
56.26038	0.8
79.05474	1.9
81.03394	1.2
91.05463	9.9
93.25526	1.1
94.61053	1.0
95.04946	2.0
96.59002	1.0
105.07012	2.6
107.04267	2.0
107.04955	41.8
119.04927	1.6
129.06987	1.7
130.83054	1.0
131.04907	1.9
131.08551	4.6
131.09464	1.1
134.09647	52.5
134.10632	2.4
140.64339	1.2
143.08545	1.7
145.06422	1.2
149.05974	8.2
153.06969	1.4
155.08545	27.4
160.92987	1.2
165.07014	8.3
166.07756	2.5
167.08527	12.7
169.10118	12.1
178.07793	2.1
179.08562	21.9
180.09267	7.7
181.10098	14.5
191.08510	4.4
192.09258	10.9
193.10132	14.5
194.11784	18.4
195.11652	13.3
203.08545	6.2
204.09326	19.3
206.10889	9.6
207.11681	6.2
208.09634	2.3
208.12436	2.7
209.09621	1.4
209.11719	1.4
209.13300	20.2
210.11252	4.2
211.14905	1.7
219.11691	25.2
221.13225	23.1
222.10420	10.8
223.14899	1.8
230.72269	1.2
237.12688	15.7
239.14217	3.5
242.75586	1.1
281.15564	1.8
297.14896	2.3
465.21603	1.1
472.24759	2.1
490.25870	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	490.2588
Annotation	Decaturin C
Peak:m/z	Relative Intensity
50.31863	0.7
52.38166	0.9
53.54537	0.8
56.26038	0.8
79.05474	1.9
81.03394	1.2
91.05463	9.9
93.25526	1.1
94.61053	1.0
95.04946	2.0
96.59002	1.0
105.07012	2.6
107.04267	2.0
107.04955	41.8
119.04927	1.6
129.06987	1.7
130.83054	1.0
131.04907	1.9
131.08551	4.6
131.09464	1.1
134.09647	52.5
134.10632	2.4
140.64339	1.2
143.08545	1.7
145.06422	1.2
149.05974	8.2
153.06969	1.4
155.08545	27.4
160.92987	1.2
165.07014	8.3
166.07756	2.5
167.08527	12.7
169.10118	12.1
178.07793	2.1
179.08562	21.9
180.09267	7.7
181.10098	14.5
191.08510	4.4
192.09258	10.9
193.10132	14.5
194.11784	18.4
195.11652	13.3
203.08545	6.2
204.09326	19.3
206.10889	9.6
207.11681	6.2
208.09634	2.3
208.12436	2.7
209.09621	1.4
209.11719	1.4
209.13300	20.2
210.11252	4.2
211.14905	1.7
219.11691	25.2
221.13225	23.1
222.10420	10.8
223.14899	1.8
230.72269	1.2
237.12688	15.7
239.14217	3.5
242.75586	1.1
281.15564	1.8
297.14896	2.3
465.21603	1.1
472.24759	2.1
490.25870	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	490.2799
Annotation	(+)-Migrastatin
Peak:m/z	Relative Intensity
54.42832	0.5
70.06585	3.9
75.13776	0.4
84.08130	0.7
88.07601	2.3
100.07605	7.3
107.04935	3.5
108.39107	0.4
114.09148	7.8
120.88561	0.4
121.06121	0.4
122.41876	0.5
126.09162	0.8
129.09093	1.1
130.08640	2.6
132.10199	31.9
135.08046	60.6
141.93436	0.4
144.10214	4.0
161.09589	1.9
173.09615	4.7
191.10693	4.7
209.11714	18.6
209.13605	0.7
446.25299	0.9
456.85910	0.5
490.27988	100.0
494.31653	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	490.2801
Annotation	(+)-Migrastatin
Peak:m/z	Relative Intensity
51.85654	0.6
60.28302	0.6
62.01134	0.7
70.06575	1.4
74.82633	0.7
81.07066	0.9
83.08624	1.0
84.08170	0.8
85.02892	0.8
85.06483	0.9
88.07635	1.0
92.18394	0.8
93.07034	1.4
95.08586	1.3
100.07631	7.3
105.07101	0.8
106.02917	4.3
107.04951	7.5
111.08030	0.7
114.09163	8.4
119.08561	1.0
124.03953	5.4
126.09136	0.9
129.09085	1.0
130.08640	1.0
132.10208	36.4
134.09615	1.0
135.08049	67.5
144.10185	3.1
145.10063	1.5
152.00475	0.7
161.09560	1.3
173.09650	3.9
191.10728	5.8
191.12247	0.7
194.11777	3.7
209.11716	20.5
209.13583	1.1
233.90857	0.7
268.08197	0.9
286.57635	0.9
301.18207	0.8
302.18314	1.2
310.15485	1.2
446.25247	0.8
490.28046	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	490.3166
Annotation	(-)-Oxysporidinone
Peak:m/z	Relative Intensity
67.38305	5.5
67.97016	6.0
83.37678	5.9
105.20928	6.8
108.96381	7.3
154.93562	6.2
189.77589	6.6
216.80255	7.4
236.04338	6.2
490.31558	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	490.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09882	1.6
56.40300	1.5
59.04720	3.4
59.05006	100.0
70.68817	2.0
71.04965	1.5
75.23433	1.5
80.32057	1.7
80.58259	1.5
81.07063	3.7
87.04462	4.3
89.06030	78.7
103.07581	65.3
116.03830	1.9
119.45050	1.8
131.04880	2.5
133.08598	25.3
147.10194	13.0
148.07571	2.5
177.11223	10.1
221.13803	2.2
262.92288	2.0
301.17978	3.7
302.18420	9.8
428.28668	2.3
472.31604	3.0
473.29639	56.4
490.32220	51.9
516.55322	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	491.1891
Annotation	Toonaciliatin J
Peak:m/z	Relative Intensity
67.59274	0.8
92.07261	0.9
98.97578	5.6
105.06994	2.0
109.10172	0.8
110.97581	0.9
115.02251	0.8
125.09679	0.8
137.05968	7.2
145.10094	1.8
147.11580	1.4
153.43422	1.1
158.99634	2.2
193.07423	0.9
219.01804	5.2
225.16664	0.9
237.02826	1.3
257.10587	1.2
261.02744	1.4
303.60706	0.9
313.82465	0.9
347.13834	1.1
371.13629	1.2
371.18347	0.9
377.35229	1.0
491.18771	100.0
491.33481	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	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
63.35993	1.2
67.56027	1.1
71.01291	1.3
71.85775	1.2
79.05504	1.7
83.22103	1.2
84.24050	1.3
91.05448	2.1
93.07011	2.8
95.04967	10.2
105.03393	100.0
105.04502	2.9
105.07021	6.2
107.04955	2.0
109.06503	2.4
114.04485	1.2
119.08574	2.4
121.06535	2.2
125.05984	1.6
128.06216	1.6
129.06978	1.3
131.08563	8.1
133.10182	1.8
143.08589	6.3
147.08072	1.6
149.06018	2.6
151.92432	1.1
155.08536	1.4
157.10052	1.3
159.07986	6.8
161.05815	1.4
161.09604	16.7
173.09528	1.9
179.08575	2.5
180.09322	1.7
181.10150	1.7
185.09633	2.5
192.09454	1.9
193.10139	5.9
195.11636	1.8
197.13062	1.7
199.11157	1.8
203.10716	2.5
205.10158	2.5
206.10860	1.3
207.11685	2.8
209.09540	2.0
209.13298	2.8
211.11156	2.9
213.09198	2.0
219.08066	1.5
219.11621	1.8
220.12442	5.3
221.09761	1.7
221.13272	5.2
222.10443	1.5
223.11205	6.1
230.10922	1.9
233.09656	1.4
235.14851	5.7
237.12715	7.7
245.13301	4.3
248.12007	6.0
249.12746	5.4
251.14288	2.2
263.14279	9.4
266.13150	1.6
281.15390	6.9
291.13748	6.6
309.14746	15.8
327.15771	2.4
369.16879	1.5
431.18686	2.2
465.15576	1.2
491.20419	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.0
53.03949	1.9
66.63888	1.1
72.67628	1.1
77.03910	2.0
79.05513	1.6
83.04996	1.3
91.05458	5.7
93.07024	4.5
95.04958	11.3
97.06503	1.5
103.81192	1.1
105.03391	100.0
105.04511	6.6
105.07030	5.9
107.04910	1.6
107.08608	1.4
109.06500	1.5
109.34373	1.3
117.06981	1.3
119.08575	2.2
121.06506	1.4
125.05973	2.4
129.07033	2.2
131.08554	5.2
133.06461	1.7
133.10135	2.4
135.08113	1.4
143.08548	2.0
145.06480	1.7
147.07970	1.2
149.05989	1.4
155.08575	2.4
157.10139	1.6
159.08051	7.1
161.09602	15.3
169.10078	1.6
169.23752	1.1
170.01157	1.1
173.09592	1.4
178.07808	2.0
179.08575	2.2
180.09375	1.2
181.10196	2.5
185.09692	1.9
193.10118	4.9
195.08102	1.3
195.11678	2.4
197.09523	2.7
199.11012	1.4
203.10661	1.9
205.10117	2.8
206.10870	1.9
207.11740	1.6
209.09558	2.5
211.11137	4.4
215.08641	1.4
216.59250	1.1
218.10887	1.6
219.11627	1.7
220.12489	2.7
221.09590	2.0
221.13225	2.6
222.10477	1.8
223.11165	4.1
227.10777	1.5
230.10849	3.9
233.09671	6.1
235.11159	1.4
235.14758	4.5
237.12791	4.8
239.14313	2.7
245.13281	2.6
247.11143	1.4
248.11894	4.8
249.12759	6.2
251.14339	1.9
261.12579	1.4
263.14291	8.8
265.12241	1.8
267.13736	2.1
276.11218	1.3
281.15378	5.6
291.13846	6.6
309.14847	19.2
327.15909	2.2
369.17227	2.5
413.17557	1.3
431.18442	4.7
438.15387	1.2
491.20621	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42135	1.5
69.03449	1.8
79.05505	2.8
91.05479	4.2
92.18492	6.0
93.07068	3.1
95.04971	4.5
105.03393	100.0
105.04499	2.7
105.07019	7.3
107.08598	2.3
117.07058	2.5
119.08596	9.3
121.06524	3.5
131.08582	2.9
133.06516	2.4
140.79961	1.9
143.08580	3.3
149.05983	2.6
155.08632	3.4
157.10080	3.0
159.07959	6.2
161.09642	2.9
167.08589	3.1
169.10143	2.4
171.08035	2.4
179.08542	2.5
180.09392	2.0
181.10201	8.1
183.11812	1.9
185.09665	2.6
187.07500	2.2
193.10182	9.4
195.08011	2.5
195.11726	7.6
197.09761	3.4
199.11201	3.4
205.10187	2.5
206.10922	3.7
207.11804	3.9
209.09694	7.7
210.10406	2.4
211.11201	12.2
213.12842	2.4
218.10968	2.4
219.11600	2.4
220.12515	9.9
221.13264	3.0
222.10446	2.4
223.11244	8.3
225.12833	2.0
230.10899	2.6
233.09628	7.5
234.10551	2.1
235.11264	3.6
235.14932	7.3
236.12172	2.3
237.12779	10.2
241.12288	3.1
245.13402	2.9
247.11281	3.1
248.11929	6.9
249.12808	3.9
263.14383	10.6
273.12817	2.5
276.11420	2.7
281.15442	7.4
291.13760	7.3
309.14774	29.7
311.16461	2.7
369.17126	2.8
371.18576	1.8
431.18881	2.1
473.06802	1.9
491.20657	26.3
508.46616	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	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05518	1.1
58.09649	0.9
59.23469	0.9
61.06459	0.9
69.03431	1.9
77.03936	1.2
79.05479	2.6
81.07038	1.7
91.05479	4.3
91.94702	1.1
93.07047	2.4
95.04963	11.6
95.08616	1.6
97.06515	1.0
105.03394	100.0
105.04505	2.6
105.07032	2.2
107.04948	5.1
109.06523	2.0
112.62843	1.0
116.09406	1.3
119.08617	1.9
121.06491	6.2
125.05968	2.1
128.06119	1.3
129.06947	1.8
130.92641	1.1
131.08565	6.5
133.06471	2.3
133.10136	5.0
133.12086	1.0
143.08574	6.0
145.06491	1.6
149.05963	2.7
149.09561	1.3
154.52707	1.2
157.10097	2.2
159.08032	7.6
161.09636	17.8
165.09114	6.3
167.08511	1.1
168.09352	1.3
169.10144	1.4
179.08536	2.7
181.10078	4.9
183.11610	1.5
185.09618	1.9
193.10143	5.5
194.10966	1.7
195.11658	4.6
197.09572	1.6
203.10727	4.3
205.10220	1.8
206.10881	4.4
207.11708	4.2
209.09624	1.3
209.13228	2.5
211.11223	4.9
213.09134	1.7
215.08588	1.3
215.10716	1.1
218.10861	2.4
219.11722	2.0
220.12498	2.5
221.13223	2.3
221.55469	1.2
222.10460	1.8
223.11139	5.3
225.12631	1.6
230.10925	2.6
233.09639	3.9
233.13326	1.4
234.10193	1.2
235.11218	2.2
235.14835	2.7
237.12718	5.7
245.13330	2.4
247.11143	4.6
248.11990	6.2
249.12755	4.9
251.10538	1.6
251.14323	4.7
263.14243	9.7
265.12216	2.2
273.12631	1.7
279.13794	2.0
281.15366	7.9
291.13791	6.4
309.14789	16.6
327.15918	1.4
369.16754	5.1
491.20633	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92403	1.3
77.03953	1.8
79.05453	1.3
81.20492	1.2
91.05447	2.2
93.07050	2.3
95.04957	8.8
105.03397	100.0
105.04491	3.8
105.07040	6.3
107.04995	1.4
109.06522	1.5
121.06516	2.8
121.20616	1.3
125.05994	1.8
129.06964	1.5
131.08551	5.3
133.06433	1.9
143.08574	3.1
147.08031	1.5
149.05968	2.3
159.08073	9.0
161.09604	9.1
169.10149	1.8
179.08591	2.5
181.10071	1.5
193.10126	5.0
195.11852	1.8
197.09590	1.5
197.13383	1.4
203.08553	1.7
207.11810	2.4
209.09627	1.7
211.11176	1.9
217.10225	2.5
219.11671	2.2
221.09729	2.0
221.13272	2.4
223.11331	2.5
230.10980	2.9
233.09729	2.7
235.14864	5.6
237.12683	2.9
245.13165	2.3
248.11884	5.2
249.12650	2.3
261.13260	1.6
263.14328	8.0
273.12601	1.5
279.13763	1.7
281.15286	4.9
287.01929	1.4
291.13770	5.6
309.14673	14.2
327.15677	1.6
431.18359	1.8
469.60681	1.6
491.20709	35.8
501.77167	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	491.2275
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
52.64293	5.0
56.69539	5.1
69.03419	5.9
75.16173	6.2
81.03401	8.1
81.07059	8.9
91.05502	8.5
93.07027	24.7
95.04967	9.5
95.08610	6.3
97.06508	6.9
97.21245	5.9
105.07021	21.6
107.08614	11.5
109.06554	6.4
117.06973	7.7
119.08592	11.6
121.06466	6.6
123.08057	12.1
133.06528	7.5
133.10110	11.0
143.08554	32.9
145.10123	34.3
147.08044	8.2
149.05927	7.0
149.09540	9.1
153.06987	6.9
155.08554	10.3
157.10114	27.3
159.08069	24.0
159.11685	8.8
161.06119	6.2
161.09601	22.9
161.13235	6.8
165.07156	6.5
169.10168	31.2
171.07983	6.7
171.11670	37.1
173.09584	23.4
175.11174	5.6
179.08469	13.4
180.09325	11.9
181.10103	25.2
183.07823	6.1
183.11699	35.3
185.09583	13.9
187.11234	7.2
189.09113	8.1
189.12775	23.7
192.09196	8.9
193.10083	21.8
194.10860	9.5
195.11662	66.7
197.09619	22.9
197.13306	11.8
199.11131	55.6
200.11920	24.1
203.14314	6.7
204.22873	5.5
206.10944	13.4
207.11699	21.6
208.08777	7.7
208.12485	12.5
209.09618	6.5
209.13243	28.2
210.10428	6.5
211.11172	14.4
213.12755	25.1
215.14297	28.7
217.10062	12.8
217.11922	7.1
221.13272	13.2
222.14104	8.1
223.11136	25.6
223.14769	25.0
224.11911	7.6
225.12669	33.0
227.10654	33.0
229.12175	8.2
229.15883	6.7
232.12469	8.2
235.11160	8.2
237.12846	25.0
237.16324	14.0
239.14244	7.2
241.12082	9.1
241.15839	10.3
243.13666	5.9
247.14871	10.4
251.14165	10.9
253.12338	7.5
255.13753	8.8
255.17377	27.1
265.15848	38.0
269.15475	6.9
271.13260	9.0
281.15280	10.8
283.16855	39.6
293.15347	34.4
301.17661	10.1
311.16437	100.0
329.17383	84.4
331.15302	10.3
337.27582	6.2
347.04529	6.5
371.18491	38.6
389.19376	55.9
431.20673	10.8
449.21661	58.0
491.22888	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	491.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
56.75552	6.6
69.07072	15.0
71.08666	10.3
71.54871	7.1
79.05465	13.4
81.03406	8.5
82.85623	7.9
83.08634	7.7
86.38342	7.5
91.71731	7.0
93.07031	17.0
95.04986	12.4
95.08572	15.6
97.06529	8.1
105.03375	13.4
105.07021	51.5
107.08596	12.9
109.06526	11.9
119.08576	15.1
119.90449	8.3
121.06596	26.0
121.10088	11.0
131.08582	32.4
133.06459	13.7
133.10127	31.9
135.08107	10.2
135.11696	8.4
143.08592	55.4
145.06502	12.4
145.10117	19.2
147.08043	17.4
149.05994	15.2
149.09627	8.2
151.07523	8.2
155.08580	55.6
157.10098	32.4
159.08043	18.1
159.11792	10.1
161.09593	11.0
167.08524	31.8
168.09303	9.9
169.10127	60.5
170.41306	8.1
171.08066	37.8
171.11661	18.7
173.09634	16.1
179.08525	34.7
180.09340	14.8
181.10136	40.1
182.10789	7.8
183.08086	10.9
183.11708	64.4
185.09560	18.0
185.13263	31.6
187.11125	10.1
192.09306	16.0
193.10120	18.4
194.10890	12.9
195.08034	12.7
195.11664	61.0
197.09613	17.0
197.13237	65.3
199.07568	13.7
199.11136	29.4
201.12665	10.3
207.11661	80.3
208.12370	12.6
209.09683	17.1
209.13243	31.9
211.11099	52.5
211.14685	9.3
213.12671	73.6
221.13208	12.8
223.11139	36.5
223.14763	14.7
225.08960	10.8
225.12720	48.6
227.10646	11.2
235.11177	35.7
236.11978	11.2
237.12643	11.4
237.16318	10.2
241.15814	14.1
247.14915	17.6
251.14323	17.7
253.12209	45.9
265.15927	38.8
269.15332	36.1
275.14249	11.1
283.17108	28.4
293.15509	84.0
311.16379	100.0
329.17273	11.6
330.31845	7.7
371.18521	27.9
391.44260	7.8
455.31018	9.4
473.32108	12.5
491.22687	44.3
491.33527	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	491.2274
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
56.51422	2.2
58.11609	2.7
59.25871	3.2
60.10026	2.3
62.27441	2.1
68.72025	2.5
69.03410	5.8
73.21481	2.9
79.35021	3.2
81.07040	4.2
83.04971	2.7
91.05466	4.4
93.07048	4.6
94.62707	2.5
97.06504	4.5
100.02719	2.5
105.03385	3.7
105.07040	15.0
107.08571	4.3
109.06516	4.3
109.27830	2.5
119.08594	5.7
121.06470	12.8
123.08035	15.2
129.07013	3.0
131.08600	4.0
133.06462	3.3
139.07457	3.5
139.24567	2.6
143.08554	16.5
145.10126	4.3
147.08035	13.1
149.05991	3.9
155.08511	6.8
157.10110	6.2
159.08026	5.1
161.09625	13.0
167.08559	3.3
169.10080	10.8
171.08029	5.5
171.11678	5.0
173.09628	15.8
177.09073	3.5
179.08577	4.0
181.10028	19.9
183.08060	3.2
183.11656	6.7
185.09639	6.0
185.13226	3.1
187.11121	4.8
187.30577	3.0
192.09340	4.8
193.10120	16.1
194.10945	4.0
195.11716	16.6
197.09636	13.1
197.13249	11.8
199.11128	5.9
199.14815	3.4
206.11032	5.2
207.11650	22.0
208.12468	4.3
209.09579	4.5
209.13284	12.1
210.10426	3.4
211.11195	12.8
211.14778	10.5
213.12766	3.9
215.10635	6.8
217.10098	3.1
218.10934	3.3
219.42070	3.1
221.13243	14.8
223.11168	9.7
223.14812	17.4
224.12070	4.4
225.12704	12.1
227.10669	11.0
227.14236	4.7
235.11165	3.1
236.11967	5.2
237.12695	3.8
237.16327	3.7
239.14323	6.9
241.12289	4.6
241.15813	5.0
247.14783	3.6
251.14319	15.8
265.16013	5.2
267.13672	5.4
269.15317	11.2
275.14218	4.3
279.42764	2.8
281.15347	4.5
285.14798	6.1
293.15231	10.8
311.16455	13.7
329.17441	6.6
371.18402	11.3
431.20630	12.9
447.20053	57.9
491.22733	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	491.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
67.05495	6.6
69.07060	9.1
72.74687	4.8
81.07047	8.2
82.21372	4.4
83.08616	11.5
85.02883	6.5
90.53219	4.6
91.05483	10.3
93.07047	19.7
95.04990	6.7
95.08592	11.7
97.06529	6.3
97.10163	5.2
105.07047	35.4
107.04925	7.4
107.08592	7.2
109.06489	9.9
109.10142	26.1
119.08574	23.9
121.06480	26.1
121.10116	9.4
123.04426	6.3
123.08064	6.3
125.05934	5.4
127.11153	10.3
129.07042	5.6
131.08533	9.7
131.31432	4.8
133.06500	11.5
133.10114	22.7
135.08023	17.3
137.05948	37.6
143.08566	11.0
145.10147	64.4
147.08060	100.0
149.05972	91.3
151.07523	22.3
157.06447	6.6
157.10141	9.5
159.08128	8.5
159.11679	19.2
161.05922	8.8
161.09612	11.5
163.11182	30.5
165.06987	5.9
167.08554	5.3
169.10130	27.0
171.08099	11.5
171.11684	19.2
173.09641	27.3
175.07538	19.4
175.11206	6.5
177.09077	8.3
179.08586	7.1
180.70409	5.1
181.10097	23.4
183.11710	19.2
185.09671	8.1
185.71437	6.8
187.11232	9.7
189.12872	7.7
191.06931	6.1
191.10667	6.5
193.10121	9.5
195.11714	19.9
197.09605	19.4
197.13226	19.7
199.11172	29.6
205.12230	12.0
207.11690	23.3
208.12485	10.7
209.09694	9.7
209.13332	7.2
211.11230	16.9
213.12701	11.2
221.13206	10.7
223.11176	20.6
223.14798	9.9
225.12715	23.5
227.10741	11.0
231.13832	7.0
232.12469	6.3
235.11183	5.3
237.12744	9.5
237.16304	7.3
239.14307	10.6
241.12173	5.6
251.14308	6.1
265.15811	26.8
269.11783	5.8
269.15369	5.3
275.14346	6.4
277.08466	19.0
281.15451	8.6
283.16953	25.6
293.15317	27.2
295.09595	7.6
301.17947	35.5
309.11145	9.5
311.16492	48.8
329.10007	6.3
329.17310	17.9
371.18561	20.6
387.18161	23.1
389.19385	8.0
431.20435	26.0
447.20343	7.1
455.31635	29.0
473.19510	5.3
473.32816	9.4
491.22003	53.1
491.33801	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	491.2275
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
58.12675	6.5
69.03428	7.1
92.18452	10.3
95.08598	8.3
97.06505	15.2
105.07040	12.5
106.76450	7.5
107.04972	7.6
116.05073	7.2
119.08611	8.4
121.06509	10.4
123.08095	27.5
128.72647	7.1
129.07040	8.0
131.08565	12.3
133.06493	9.0
133.10080	8.4
141.06961	10.9
143.08553	40.2
145.10130	13.1
147.08118	9.5
155.08559	15.7
157.10155	15.3
159.08160	11.7
161.09616	9.4
165.06969	7.6
167.08455	9.1
169.10109	42.7
171.07991	8.1
171.11700	15.2
173.09555	14.9
181.10118	44.7
183.11729	13.5
183.49297	7.3
185.09631	8.1
185.13235	16.3
187.11189	14.0
192.09290	11.4
193.10127	32.0
194.10890	11.0
195.11736	41.1
197.09694	13.9
197.13283	16.7
199.11136	17.2
206.10974	8.2
207.11713	34.0
208.12459	8.1
209.09621	15.9
209.13271	24.7
211.11195	28.2
211.14807	9.0
213.12720	13.7
221.13222	8.9
223.11087	9.9
223.14893	11.0
225.12752	35.4
227.10556	12.1
235.11081	8.8
236.11989	8.1
237.12880	9.6
237.16412	11.0
241.12291	9.6
243.13698	9.7
247.14738	14.8
253.36774	8.4
265.15833	30.9
269.15369	10.9
271.13278	48.7
281.15408	7.6
283.16882	33.3
293.15369	61.8
311.16418	100.0
329.17429	46.7
331.15298	11.5
353.17218	10.9
371.18588	31.7
389.19556	46.0
431.20694	27.5
491.22549	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	491.228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	4.9
70.59563	4.6
71.04976	4.9
74.41596	5.1
79.05550	5.4
79.75420	4.1
81.07087	6.7
85.98118	5.6
91.05486	9.2
92.17850	5.9
93.07030	9.2
95.05031	5.9
95.08644	5.9
97.06532	4.6
105.03438	4.3
105.07046	23.4
107.05012	5.2
107.08597	6.2
119.08589	8.8
121.06472	9.7
131.08589	6.4
133.06488	11.4
133.10088	9.5
134.09668	5.9
135.04420	42.9
135.08044	6.1
136.65785	4.2
137.06007	4.6
143.08574	6.7
145.06622	7.5
145.10103	26.0
147.08040	24.2
149.05940	27.4
155.08543	8.1
157.10146	10.8
159.08078	6.4
159.11707	7.7
161.09607	5.8
165.06937	5.2
167.08582	7.6
169.10150	22.3
171.07979	4.7
173.09602	11.1
179.08534	10.4
181.10162	19.8
183.11713	10.2
185.09714	7.4
187.11327	6.1
192.09355	7.3
193.10127	5.9
195.11736	27.4
197.09586	6.1
197.13234	6.0
199.11150	20.0
206.10777	5.1
207.11630	9.4
208.12476	9.7
209.13306	6.8
210.36179	4.8
211.11285	7.9
213.12793	6.3
215.10776	4.8
221.13237	9.4
223.11237	5.9
225.12709	7.7
230.53917	4.5
233.13382	6.5
238.13120	4.5
239.14272	6.2
241.12106	5.6
241.15886	6.3
247.14809	5.0
250.13419	6.0
251.14262	8.4
253.12399	5.3
265.15860	8.4
269.15421	6.3
283.16895	7.6
285.14896	5.7
293.15356	18.5
311.16376	30.4
329.17569	8.5
339.20084	5.7
371.18503	11.4
431.20853	11.0
445.13403	4.9
447.19983	21.6
491.13336	100.0
491.23056	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2278
Annotation	Parvifoline G
Peak:m/z	Relative Intensity
55.05514	3.9
67.05524	2.0
69.03410	3.1
69.07088	3.1
70.36098	1.8
79.05482	2.8
81.07071	7.6
83.05003	3.0
91.05466	9.2
93.07035	12.2
95.04963	4.6
95.08595	9.8
97.06496	2.0
97.89555	1.8
103.05460	2.2
104.04137	1.8
105.07020	16.3
107.04951	4.0
107.08587	9.4
109.06510	8.9
109.10165	2.8
110.48247	2.3
112.20116	1.8
112.98422	2.1
114.72932	2.2
119.08569	13.3
121.06493	19.2
121.10120	4.2
123.08054	7.8
125.09677	2.0
131.08563	4.8
133.06500	12.4
133.10059	4.1
135.08043	9.6
137.05977	11.0
137.09641	2.9
143.08524	10.4
145.10112	10.2
147.08044	4.4
149.05983	4.7
149.09608	8.4
151.07526	3.6
155.08560	3.1
157.10045	6.8
158.07358	2.0
159.08076	13.4
159.11696	4.0
161.09630	16.5
165.05420	2.0
167.08546	4.7
168.09367	1.9
169.10136	7.1
171.08055	8.1
171.11659	8.7
173.09639	14.5
173.13382	2.5
175.07518	8.0
175.11177	7.4
177.09103	12.1
179.06993	2.5
179.10677	3.6
180.09378	3.5
181.10205	6.7
183.11717	11.0
185.09630	10.6
187.07599	2.1
187.11189	12.3
189.09108	9.9
192.09378	2.4
193.10165	4.6
194.10847	3.4
195.11707	15.3
197.09669	9.6
197.13326	4.3
197.83595	2.0
199.07610	2.9
199.11177	22.6
201.09041	4.4
201.12741	2.8
203.10674	4.0
206.62431	2.0
207.10129	7.4
207.11789	3.8
209.09621	8.8
209.13264	3.2
210.10431	3.2
211.11229	20.6
211.14870	3.3
213.09045	3.1
213.12724	10.0
215.10814	2.8
223.11142	14.5
223.14806	3.5
224.11858	2.6
225.09232	3.8
225.12679	8.2
226.13326	2.4
227.10646	11.2
229.12315	4.8
232.12514	3.6
235.14719	2.7
237.12930	3.0
237.16315	2.9
239.10626	3.2
239.14339	4.9
241.12170	14.0
241.15791	4.7
247.14757	3.8
251.10721	2.6
251.14430	4.3
253.15833	3.3
255.17491	2.3
257.11716	9.7
257.15329	2.8
265.15964	14.4
269.11658	8.4
269.15320	4.1
275.14328	8.5
281.15262	7.8
283.16885	9.9
287.12796	10.8
293.15332	21.8
299.16455	3.5
299.19690	2.2
301.17929	10.7
311.16391	24.7
329.17575	20.8
347.14795	4.6
353.17523	2.4
371.18436	10.9
389.19571	22.5
405.09119	1.9
431.20618	9.0
449.21713	100.0
479.56427	2.2
491.22696	17.3
491.33429	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	491.2274
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
51.92826	5.3
55.05499	6.9
56.78870	5.6
59.04992	10.3
59.80653	5.5
67.05490	10.7
69.03442	11.2
69.07053	16.1
74.33540	7.1
77.30952	6.7
78.24261	6.3
79.05492	12.3
81.07037	12.2
91.05442	10.7
93.07024	9.2
95.04959	25.9
95.08610	7.7
97.06520	7.5
105.07017	38.1
107.08606	27.9
109.06508	7.0
119.08497	22.3
121.06499	14.1
129.44792	6.3
131.08548	14.5
133.06476	16.5
133.10069	22.3
135.08040	26.1
137.09610	10.4
141.06944	14.6
141.84428	7.6
143.08534	43.7
145.10115	29.8
147.08022	16.9
149.09605	13.7
155.08539	69.2
156.09303	6.8
157.10094	50.8
159.08041	27.2
159.11708	12.0
161.09673	11.1
162.03142	6.4
163.07544	7.0
165.07030	26.7
167.08569	36.6
168.09401	9.2
169.10109	58.0
171.08026	43.5
171.11632	29.9
173.05986	7.0
173.09665	33.1
175.07414	7.1
179.08528	16.1
180.09224	7.5
181.10089	41.0
182.10857	8.6
183.08092	15.7
183.11696	76.3
185.09607	32.6
185.13219	27.3
187.11172	9.2
189.09161	10.3
191.10657	9.2
192.09309	31.5
193.10170	42.6
194.10953	8.6
195.08049	15.0
195.11670	58.8
197.09615	43.1
197.13139	59.7
199.07564	13.1
199.11176	35.7
201.12700	9.6
207.11684	58.8
208.08853	8.1
208.12495	12.5
209.09599	28.8
209.13206	16.8
210.10524	9.7
211.11252	48.1
211.14847	9.2
212.12253	7.2
213.09154	11.3
213.12686	52.0
221.09679	13.2
222.14108	7.3
223.11163	32.8
223.14801	35.0
225.12738	51.6
227.10695	15.3
235.11159	31.5
236.12004	8.5
237.12625	7.7
237.16322	27.3
239.10791	9.1
239.14212	10.4
241.12262	16.1
241.15884	25.2
247.14763	23.5
251.10637	9.8
251.14377	33.2
253.12135	84.6
265.15927	60.3
267.13574	7.5
269.15338	34.4
275.14029	8.7
281.15271	8.3
283.16916	45.0
293.15308	66.1
310.97000	9.4
311.16360	100.0
313.14468	8.1
329.17480	37.4
343.19086	10.1
371.18524	33.1
389.19617	7.8
431.20627	9.4
491.22443	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	491.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72536	7.3
60.01057	5.7
60.99722	6.2
61.23707	5.5
67.05506	12.7
68.82774	5.9
69.03448	7.3
69.07065	7.1
78.20208	5.8
81.07051	6.2
91.05488	12.9
93.07061	12.3
95.04966	13.4
95.08623	7.1
105.07024	43.8
107.04964	8.6
107.08587	24.2
109.06506	11.7
109.10167	8.6
119.08601	14.6
121.06470	16.1
121.10197	9.9
123.08031	8.2
131.08565	30.1
133.06468	31.1
133.10167	23.0
135.08060	12.2
137.05966	9.7
137.09633	29.6
143.08574	25.4
145.10103	15.2
147.07974	9.0
147.11617	9.9
149.05995	12.0
149.09587	8.3
153.87196	6.9
155.08533	28.9
157.10098	34.1
159.08162	8.8
161.05931	8.0
161.09653	30.1
165.09090	100.0
166.08000	6.2
167.08585	13.3
169.10123	48.0
171.08044	9.1
171.11624	24.1
173.09561	13.6
175.11174	7.2
179.08539	11.0
180.09299	10.5
180.54208	7.2
181.10100	38.4
183.11708	27.9
185.09663	30.7
185.13304	13.4
185.68079	7.3
192.09343	10.5
193.10133	14.5
195.11668	57.0
197.09644	36.9
197.13210	13.7
199.07652	15.0
199.11227	12.4
206.32881	6.0
207.11823	24.9
209.09636	28.9
209.13309	26.1
211.11223	37.1
213.08977	10.7
213.12730	29.0
215.04964	6.5
215.11009	6.6
217.10188	6.5
218.11113	8.4
221.13344	7.2
222.14119	9.5
223.11183	29.0
223.14787	11.7
225.12711	38.2
227.10696	13.1
232.12337	9.0
235.11119	14.6
236.76421	6.7
237.16382	14.8
239.14244	15.0
247.14861	11.0
250.13626	15.7
251.14264	14.4
253.12225	39.8
265.15872	38.0
269.15323	13.7
271.13290	12.0
275.14273	13.7
283.16998	26.8
293.15228	58.8
311.16351	83.9
329.17401	35.1
353.17175	24.4
371.18771	29.1
389.19595	9.8
431.20538	14.6
473.21072	9.0
491.22852	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12843	5.1
59.82527	4.9
63.05489	5.2
66.27372	5.3
67.05491	5.9
67.39808	6.7
69.07060	14.4
81.07072	11.8
83.04976	40.2
91.05463	5.7
95.04957	24.0
95.08580	7.9
96.56644	5.3
97.06472	5.9
103.05463	7.0
105.03390	100.0
105.07030	47.3
109.06541	11.1
109.10168	6.4
119.04926	9.8
119.08545	8.9
121.10079	9.6
123.08061	5.8
131.04910	66.9
133.02861	7.5
133.06464	14.0
137.06000	82.0
139.79950	7.0
147.04385	33.6
147.08063	9.0
149.05954	14.1
149.09590	7.1
151.07486	13.0
159.95082	5.4
161.06015	9.8
162.06755	70.3
163.07562	63.2
173.09570	8.2
177.05449	10.7
177.09248	7.3
181.10033	6.5
183.08046	12.5
185.09605	33.0
195.11694	8.2
197.09647	12.0
197.13414	6.3
199.11259	6.9
209.09544	6.7
211.11012	19.2
213.12587	6.2
215.10606	9.8
223.11209	21.0
225.12762	11.6
227.06819	6.5
227.10657	13.7
235.11319	7.9
237.12823	7.2
239.10698	6.8
251.10886	9.8
262.70511	6.5
269.15329	13.6
283.16888	10.2
293.15170	7.6
311.16492	25.3
391.57419	6.0
402.66620	5.5
408.19357	6.3
473.23175	34.6
473.32611	8.2
487.15576	6.9
491.25070	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54637	6.9
56.68190	7.7
73.00282	7.4
79.05478	6.6
81.03412	42.2
81.07027	10.3
93.07035	53.7
95.04953	12.1
95.08587	31.0
105.07015	18.7
107.08578	64.3
107.30656	7.8
119.08574	18.1
121.10098	16.6
131.08585	9.0
133.10117	44.1
135.08031	68.1
143.08594	11.7
145.10168	12.6
147.11699	8.6
157.10095	16.5
158.46469	7.6
161.09618	100.0
201.12823	13.4
212.24660	8.5
255.21101	13.3
283.20682	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3365
Annotation	Phlomisone
Peak:m/z	Relative Intensity
52.85511	1.1
55.05513	1.9
55.49204	1.0
57.03436	1.3
57.07082	1.4
67.05500	12.0
69.07066	2.4
81.07047	5.2
83.08625	6.4
89.60960	1.1
93.07040	5.5
95.04982	8.9
95.08604	6.8
95.99149	1.0
97.06538	1.3
105.07014	2.5
107.04956	1.8
107.08577	5.9
109.06506	1.4
109.10159	62.1
119.08579	1.9
121.10112	2.1
125.09556	1.1
127.11196	15.2
131.08597	1.9
133.10117	2.2
134.09665	2.4
135.08038	1.3
135.11693	8.9
137.05974	2.3
137.13216	2.2
143.08554	1.7
145.10132	8.9
147.04411	2.0
147.08052	1.5
147.11671	1.7
153.12729	5.5
155.08606	1.6
155.14233	2.0
159.11679	2.1
168.16940	1.1
169.10109	2.4
171.13791	4.5
173.09616	5.3
173.13127	1.8
181.10034	1.3
183.11668	2.1
187.11276	1.3
189.09052	2.0
191.10638	1.8
193.10138	1.5
193.15936	8.3
195.11693	1.2
197.13237	5.0
199.14764	1.3
201.12804	1.3
207.11676	1.4
209.13174	2.3
211.11160	1.7
211.14688	1.2
213.12752	2.7
219.13902	1.5
223.11246	2.1
223.14857	1.7
225.12698	4.5
235.14813	1.7
237.12674	1.5
237.16374	2.7
247.14807	1.4
253.15791	1.5
263.14102	1.8
265.15970	4.3
281.15302	1.3
283.16907	21.0
293.18967	1.3
299.16428	5.8
301.17987	100.0
303.19690	2.6
311.20020	1.6
329.21121	8.7
353.21161	2.4
357.20566	4.9
403.34903	1.2
437.30573	7.6
455.31522	31.0
473.32645	32.6
491.26242	5.2
491.33722	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	491.3367
Annotation	Phlomisone
Peak:m/z	Relative Intensity
51.03284	2.6
51.06438	2.9
55.05509	14.6
57.45482	2.9
67.05517	23.0
69.07063	15.9
72.59415	2.8
77.76846	3.1
79.05502	3.8
81.07050	14.2
83.08617	5.5
91.05476	5.8
91.87264	3.4
93.07040	30.5
95.04959	54.8
95.08605	21.6
97.06541	7.1
97.10166	17.6
101.88335	3.2
105.03385	24.6
105.07047	23.3
107.08604	49.1
109.06475	3.6
109.10158	67.0
111.08047	3.5
117.07010	4.6
119.08565	19.3
121.06501	13.0
121.10110	13.7
123.08075	21.3
123.11717	4.2
123.23370	3.3
125.09617	16.9
127.11211	6.5
131.08548	23.7
133.10115	16.7
135.08083	3.9
135.11710	48.8
138.47112	3.1
143.08592	3.6
145.10139	41.9
147.08034	5.5
147.11685	5.9
149.09618	7.8
153.12743	6.0
157.10196	3.9
159.08073	17.6
159.11699	20.5
161.09592	18.1
169.10110	3.7
171.07957	4.7
171.11711	4.2
173.09630	26.7
173.13234	21.8
175.11127	4.1
175.14745	4.5
187.11179	13.8
191.10658	6.2
191.14360	3.9
193.15891	27.3
195.11697	5.9
197.09718	4.1
197.13223	6.0
201.12735	6.8
209.13239	5.0
213.12762	4.1
219.13783	23.0
225.12788	4.5
235.14868	5.1
237.16356	5.3
253.16032	4.4
265.15839	6.0
283.17017	14.4
293.18866	5.3
301.18216	4.8
311.19940	6.6
329.21109	21.3
339.19522	6.5
350.91092	3.8
357.20493	42.0
371.22089	20.5
375.21756	4.2
437.30603	4.1
455.31595	18.3
473.32611	100.0
491.33670	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Phlomisin
Peak:m/z	Relative Intensity
55.05510	1.8
67.05494	7.2
76.44003	1.3
79.05482	1.8
81.07057	2.9
83.08598	2.1
89.03763	1.5
89.32397	1.5
93.07050	8.5
95.04962	37.5
95.08614	3.0
97.10164	2.5
107.08601	11.6
109.06516	2.3
109.10144	15.9
119.08530	3.1
121.10111	1.8
123.08060	1.5
125.09569	5.2
127.11133	2.5
130.64435	1.9
131.08572	3.4
133.10083	1.9
135.11745	14.3
137.05998	2.8
143.08589	1.8
145.10086	15.5
147.11693	1.8
149.09599	1.7
153.12729	6.4
157.10091	2.2
159.11690	7.4
161.09566	1.8
173.09630	3.5
173.13258	3.9
175.14799	3.3
187.11224	2.6
189.09018	2.1
191.10747	2.9
191.14223	1.8
193.15889	29.6
201.12720	6.0
219.13704	11.2
224.78934	1.6
253.16032	2.1
253.52649	1.8
283.16946	6.0
293.19055	3.6
301.18311	1.7
311.19946	3.8
329.21136	13.3
339.19531	2.7
357.20636	16.2
455.31436	6.2
473.32617	100.0
491.33694	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	491.3368
Annotation	Phlomisone
Peak:m/z	Relative Intensity
50.65505	0.8
50.94875	0.7
55.05513	0.8
57.07078	1.0
67.05504	7.9
69.07061	1.3
75.36082	0.9
78.19373	1.0
81.07040	3.9
83.08620	4.6
95.08585	3.6
105.03397	1.0
105.07036	1.4
107.08586	1.4
109.10148	57.3
111.25031	0.7
115.19435	1.0
119.08601	1.2
123.02119	0.8
127.11172	15.7
137.13245	3.7
145.10141	1.1
155.14331	4.1
155.17227	0.8
169.10115	1.0
171.11577	1.0
173.09605	1.8
175.11101	1.2
181.10110	1.2
183.11636	1.7
185.13286	1.0
189.09116	1.4
192.33514	1.0
195.11687	1.9
197.13084	3.2
199.11206	0.9
201.12816	1.0
207.11761	0.8
210.13977	1.0
223.11179	3.1
223.14778	1.1
225.12695	1.6
233.13121	1.0
235.14749	1.5
237.16347	2.0
247.14796	1.7
251.14331	1.4
261.38699	0.9
265.15826	6.7
281.15302	1.3
283.16910	17.6
299.16431	3.3
301.17950	100.0
311.20050	2.0
329.21140	4.1
353.20956	1.6
437.30426	9.6
455.31543	27.7
473.32486	5.6
491.33487	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	491.3369
Annotation	Phlomisin
Peak:m/z	Relative Intensity
55.05510	5.2
57.03431	3.7
61.39125	2.0
67.05506	12.0
69.07068	9.1
75.36288	2.2
79.05520	2.9
79.98486	2.3
81.07060	15.0
83.08623	11.1
85.93046	2.1
91.05478	3.4
93.07047	13.4
95.08626	21.8
97.06519	13.1
97.10171	2.4
103.36772	2.3
105.07053	4.1
107.08590	36.6
109.10155	98.7
111.08077	4.4
117.42719	2.2
119.08538	4.7
121.06518	3.1
121.10166	3.4
123.04407	2.7
125.09687	3.1
125.19186	2.2
127.11182	15.2
131.08562	4.8
133.10139	2.9
135.11697	100.0
138.71562	2.1
143.08484	7.5
145.10114	5.3
147.08089	5.1
147.11618	3.0
147.75583	2.3
149.09584	3.1
153.12738	79.3
155.08553	2.4
157.10097	3.0
161.09636	4.2
171.11606	2.6
171.13786	78.6
173.09616	13.1
175.07425	2.7
187.11108	2.5
189.09241	3.2
191.10686	11.2
197.13237	3.1
209.11725	2.9
211.14856	2.9
225.12727	3.5
239.14462	2.5
265.15973	4.2
267.17499	4.0
268.14621	3.3
283.16919	8.8
285.18439	8.6
286.15598	11.4
301.17938	10.6
303.19534	76.6
311.20081	3.1
329.21146	4.6
339.19650	8.9
455.31400	26.0
473.32922	19.9
491.33646	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Phlomisin
Peak:m/z	Relative Intensity
55.05520	51.7
58.47512	3.5
60.54224	3.4
65.12504	4.7
67.05486	5.4
69.07059	27.1
77.01559	4.1
81.07040	15.9
83.05010	5.2
83.08609	4.9
91.05395	4.0
92.17815	7.7
93.07030	23.6
94.63409	3.8
95.04980	15.7
95.08591	20.4
97.06526	9.5
97.10155	56.6
100.82573	4.3
105.07030	9.9
107.08600	39.0
109.06482	6.6
109.10146	40.8
111.08076	17.4
119.08559	22.7
121.06492	5.2
121.10169	4.8
123.08064	9.0
124.91251	4.3
125.09641	16.9
131.08595	14.7
133.10104	16.6
135.08035	5.8
135.11699	58.4
137.05948	7.8
137.09647	5.0
145.10144	48.0
147.08014	6.3
147.11748	5.7
153.12741	18.6
155.08560	5.1
157.10100	6.7
159.08040	5.8
159.11720	21.8
169.10133	6.2
171.11595	4.4
173.09601	34.9
173.13234	21.4
177.05521	4.1
183.11710	5.9
187.11118	18.9
189.09175	5.2
191.10663	17.6
193.15840	10.0
195.11682	6.0
199.11189	5.1
201.12720	5.0
205.12169	5.9
213.12721	9.9
215.14325	5.8
219.13788	23.3
225.16339	5.3
227.14551	4.5
231.13863	8.4
249.14774	4.9
253.15878	5.1
265.15833	5.5
267.17456	5.8
270.57059	4.0
283.16876	8.1
299.16376	5.0
301.18082	4.9
311.20056	9.9
329.20981	5.2
341.21066	4.8
357.20691	29.4
359.22195	16.2
371.22137	9.6
377.23343	33.0
455.31430	23.4
473.32730	77.9
491.33606	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	492.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81192	0.5
70.37791	0.6
99.05794	0.6
103.05457	2.6
107.04993	5.3
119.04939	2.9
120.08099	100.0
131.04955	4.3
135.60942	0.6
147.04402	26.0
149.05959	3.5
166.08627	41.9
276.24692	0.7
327.10739	1.1
351.72330	0.7
384.55832	0.7
430.90082	0.8
492.15067	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	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
69.03432	6.5
71.21323	0.5
79.05479	2.3
81.03419	11.6
85.02902	9.6
95.04993	1.7
97.02876	9.6
99.04427	1.2
105.03390	100.0
109.02876	13.6
123.04423	12.0
127.03925	8.3
127.85931	0.5
137.05971	1.2
145.04927	2.0
175.07629	0.7
231.06337	0.8
247.07605	1.3
249.07570	28.2
261.09113	0.8
263.10706	0.8
267.08624	35.5
279.10184	3.2
284.10410	0.7
291.10223	2.0
309.11130	1.3
311.12799	1.9
341.13718	3.8
342.14606	1.2
359.14948	0.6
377.69229	0.6
429.13788	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	492.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78222	0.9
66.39060	0.9
67.05498	6.5
69.03436	7.0
70.40594	0.8
71.05023	1.2
71.50301	1.1
75.17107	1.1
78.03459	1.3
81.03420	8.0
85.02891	5.4
85.06549	7.7
93.07027	1.7
95.08607	23.7
97.02872	1.7
105.07045	4.3
106.02917	30.1
107.08589	3.8
109.02884	7.6
109.06522	1.0
119.08576	8.1
121.10123	1.9
123.08065	14.5
123.11654	1.3
124.03951	100.0
127.03905	1.5
133.10136	2.4
135.08060	1.9
135.11658	4.2
137.09622	1.6
145.52614	1.0
147.08025	1.7
147.11678	4.2
149.09608	20.6
151.07506	2.1
161.13234	6.7
165.12753	1.2
171.11635	2.1
174.10396	6.3
189.12714	20.7
189.32552	1.0
207.13773	13.6
243.60495	1.0
250.07146	3.9
268.08142	41.1
286.09216	22.5
311.06912	1.0
474.21188	22.0
492.22272	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	492.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80964	0.6
55.27937	0.5
55.92935	0.6
57.63113	0.6
59.82939	0.5
59.85184	0.5
61.02924	0.9
66.98040	0.6
67.05497	5.1
69.03426	10.2
78.03452	8.0
81.03420	1.5
83.01337	0.6
85.02905	1.5
85.06529	3.9
92.18540	0.9
93.07000	0.6
95.08614	12.6
96.04478	0.7
97.02876	3.3
99.04454	1.1
105.07018	1.2
106.02915	100.0
107.08591	3.0
109.02872	11.9
109.06496	0.7
113.33184	0.8
119.08561	4.4
121.06489	0.7
121.10175	1.2
123.04316	0.6
123.08067	8.5
124.03948	96.8
127.03918	7.7
133.10117	1.2
135.11688	1.3
137.09598	1.1
147.08026	0.7
147.11713	2.3
149.09631	5.8
151.07494	0.8
157.80862	0.7
161.13258	1.1
165.12701	0.7
167.97552	0.6
189.12756	3.7
190.04993	1.3
207.13795	5.0
219.10161	1.0
226.37624	0.7
232.06018	5.4
250.07028	2.7
268.08142	34.4
286.09201	33.5
388.48569	0.7
431.07397	0.7
474.21271	3.8
492.22229	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37936	0.5
54.46226	0.5
57.03434	1.2
59.04995	0.6
68.95691	0.5
69.03435	12.1
81.03424	0.7
81.07050	1.1
82.15836	0.5
84.63392	0.6
85.02920	10.0
87.04469	11.4
91.05466	0.9
97.02890	11.9
105.07021	2.5
107.08567	0.6
109.10174	0.8
115.03933	12.2
115.44373	0.5
121.06507	0.6
123.08025	0.7
133.04968	9.3
135.08055	45.2
142.65108	0.6
145.05026	0.9
150.07649	2.5
160.98152	0.5
163.11171	100.0
181.12225	6.9
205.12288	2.3
209.40674	0.5
259.08347	0.9
284.17139	0.7
295.10342	3.3
456.32019	0.6
474.32962	0.8
492.23160	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37936	0.5
54.46226	0.5
57.03434	1.2
59.04995	0.6
68.95691	0.5
69.03435	12.1
81.03424	0.7
81.07050	1.1
82.15836	0.5
84.63392	0.6
85.02920	10.0
87.04469	11.4
91.05466	0.9
97.02890	11.9
105.07021	2.5
107.08567	0.6
109.10174	0.8
115.03933	12.2
115.44373	0.5
121.06507	0.6
123.08025	0.7
133.04968	9.3
135.08055	45.2
142.65108	0.6
145.05026	0.9
150.07649	2.5
160.98152	0.5
163.11171	100.0
181.12225	6.9
205.12288	2.3
209.40674	0.5
259.08347	0.9
284.17139	0.7
295.10342	3.3
456.32019	0.6
474.32962	0.8
492.23160	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.23829	0.6
55.01867	1.2
57.03427	3.5
57.31992	0.5
61.02927	7.8
66.43264	0.7
69.03151	0.7
69.03432	12.7
71.04979	1.6
73.02921	1.3
81.03416	5.5
85.02903	100.0
87.04453	1.0
91.03938	5.2
91.51430	0.8
97.02893	24.1
99.04435	6.4
109.02843	9.6
109.06513	51.4
127.03902	25.6
145.04956	32.4
151.07680	0.7
151.11169	31.3
163.06004	14.5
163.11115	4.8
180.08676	1.0
187.11240	0.8
228.59685	0.8
271.07993	0.9
277.14120	1.1
289.09030	0.9
295.15329	1.4
325.11200	8.6
353.57660	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	492.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82769	0.6
67.65130	0.6
68.04942	0.7
75.34220	0.7
78.43414	0.6
79.05508	6.0
80.56018	0.7
82.40398	0.7
91.05474	0.9
93.07035	3.6
95.08591	3.7
99.20184	0.7
105.07041	5.7
107.04957	100.0
107.08569	2.6
107.57806	0.7
119.08583	4.0
120.08097	20.0
121.10146	0.8
131.08527	1.1
133.10143	3.3
134.09648	0.8
145.10139	3.7
149.05991	16.1
155.08617	1.6
157.10201	1.0
159.08026	2.8
159.11699	2.9
169.10158	2.8
171.11743	1.4
173.13321	0.8
176.50221	0.8
180.10191	69.0
183.11707	2.8
191.10645	1.6
194.11713	1.3
195.59387	0.8
197.13293	4.4
199.14813	1.0
211.14888	3.4
225.16483	0.9
253.19580	4.5
281.18982	7.5
411.25580	0.8
492.31201	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22387	0.6
55.32301	0.6
58.06612	0.6
79.05502	7.4
81.07072	1.0
83.08578	0.5
91.05467	1.1
93.07019	3.6
95.04874	0.7
95.08615	4.7
105.07040	5.4
105.25800	0.6
107.04951	100.0
107.08630	2.6
119.08595	4.0
120.08100	23.4
121.10149	0.7
131.08586	1.3
133.10109	2.5
133.57378	0.6
143.08516	1.0
145.10117	3.2
146.87856	0.6
149.05974	18.8
155.08504	1.5
157.10088	1.5
159.08119	1.0
159.11667	3.0
161.09685	1.2
168.09402	0.7
169.10081	2.8
171.11668	2.4
180.10185	71.0
183.11646	3.1
191.10674	1.4
194.11804	4.6
197.13292	2.9
211.14790	3.2
225.12685	0.9
239.18077	0.7
253.19511	4.0
281.19043	7.5
313.21597	1.4
421.95212	0.6
492.31061	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55173	0.5
60.62234	0.5
64.59923	0.5
64.63628	0.6
67.05491	0.8
73.20885	0.6
79.05492	9.4
81.07060	1.1
91.05486	0.7
93.07044	2.7
95.08596	3.6
105.07061	4.8
107.04954	100.0
107.08584	2.3
115.16400	0.6
119.08574	4.9
120.08099	27.1
121.10136	1.1
131.08505	2.1
133.10138	3.7
143.08560	0.9
145.10115	2.6
147.11647	0.8
149.05972	17.9
155.08536	1.1
157.10133	1.4
159.08089	1.4
159.11691	1.4
161.09621	1.2
161.13222	0.9
169.10014	1.4
171.11656	1.5
173.13184	1.1
175.11288	1.0
180.10185	73.1
181.94197	0.7
182.91270	0.7
183.11597	2.4
184.63269	0.7
185.09671	0.8
185.13277	0.9
191.10657	1.4
194.11758	1.4
197.13263	4.6
211.14809	2.9
239.17946	1.2
253.19507	4.7
281.18994	7.0
313.21545	1.5
390.25897	0.7
492.31067	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	492.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.08193	0.5
66.10655	0.6
67.05497	1.5
70.78201	0.8
75.17185	0.6
79.05509	7.5
81.07025	1.1
91.05474	1.3
93.07023	3.6
95.04947	0.8
95.08596	3.6
97.87215	0.7
99.80824	0.6
104.75366	0.6
105.07049	6.5
107.04956	100.0
107.08591	3.3
109.10145	1.5
119.08576	3.7
120.08103	22.1
121.10126	1.0
131.08559	2.8
133.10147	4.9
135.53636	0.6
143.08574	1.0
145.10159	1.4
147.11707	1.0
149.05977	18.4
155.08559	2.9
157.10120	1.5
159.08032	1.3
159.11690	2.6
161.09590	1.3
169.10092	3.0
171.11665	3.1
173.13246	1.2
175.11267	0.8
180.10194	74.5
183.11681	3.0
185.09486	0.9
185.23926	0.8
187.11198	0.7
194.11768	2.6
195.11728	0.9
197.13293	3.7
199.11046	1.0
199.14722	0.8
211.14830	2.8
225.12749	1.1
253.19498	5.2
281.18982	7.7
433.33224	0.9
450.21896	1.0
492.31085	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18325	0.5
52.21725	0.7
57.88634	0.5
64.84172	0.6
65.42855	0.6
79.05487	7.3
80.06252	0.7
81.07031	0.8
93.07018	3.3
93.52968	0.7
95.08598	4.8
96.20758	0.6
105.07054	6.3
107.04950	100.0
107.08598	2.5
109.10145	0.9
119.08551	3.8
120.08099	24.5
121.10140	0.9
131.08510	2.1
133.10092	4.3
136.19254	0.6
143.08563	1.0
145.10135	2.6
147.11691	0.8
149.05977	17.4
155.08575	1.0
157.10075	1.3
157.18808	0.7
159.08061	3.1
159.11700	2.7
161.09572	1.3
166.85593	0.8
167.78015	0.8
169.10089	3.6
171.11673	3.2
173.13170	1.0
178.02631	0.7
180.10178	68.2
183.11659	3.3
194.11879	0.9
197.13197	3.7
210.76884	0.7
211.14842	2.9
223.14807	0.8
225.12784	0.8
239.17899	1.0
251.08791	0.7
253.19388	4.7
265.33411	0.7
281.18961	7.5
391.01581	0.8
492.31064	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
62.88188	0.2
70.12008	0.2
71.61098	0.2
73.27123	0.2
77.74182	0.2
79.94415	0.2
80.49747	0.2
88.89622	0.2
90.80035	0.2
103.91045	0.2
107.04929	0.8
129.19275	0.2
135.19391	0.2
137.05896	0.7
178.02629	0.3
183.85667	0.2
270.05179	2.7
286.04706	0.3
287.05615	0.9
315.04944	10.1
316.05750	5.8
327.12277	0.8
331.08096	100.0
336.79330	0.2
493.13345	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	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91406	1.4
61.02913	2.3
62.19394	2.1
69.03431	3.7
73.02917	1.9
74.10438	1.5
81.03430	2.2
81.38566	1.6
85.02909	18.5
87.45838	1.5
97.02884	3.9
106.35162	1.7
109.02879	3.2
113.71778	1.7
126.31524	1.9
127.03897	2.9
137.06042	2.1
145.03954	1.6
151.03917	17.7
163.03935	3.0
165.05511	4.2
169.04979	18.0
175.03828	2.2
181.04964	48.4
189.05402	3.5
193.04970	100.0
205.05023	6.4
207.06534	30.4
211.06001	70.5
217.04944	8.5
219.06502	2.7
229.04997	2.5
231.06564	4.2
233.04517	3.1
235.05981	68.6
247.06024	70.9
259.06000	36.8
265.06955	12.3
277.07080	17.8
289.07147	2.7
295.08163	20.1
307.08057	2.6
313.09253	37.7
325.09167	3.8
331.10196	46.9
343.08090	2.9
379.10358	2.1
391.10483	2.1
391.16513	1.7
401.93973	2.2
471.34857	1.9
493.18726	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	493.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59040	0.9
60.05654	1.3
85.02882	2.1
86.03532	1.5
91.17569	1.6
94.35398	1.4
109.07630	4.6
113.04636	1.9
120.04475	1.8
135.05551	2.0
140.05630	1.3
149.04640	1.4
151.06140	1.9
152.05658	12.5
153.06474	22.9
163.06171	12.9
165.06456	2.0
165.07719	4.5
166.07228	22.1
166.10849	1.5
177.07680	9.1
179.07997	12.5
180.07484	1.7
180.08788	85.3
181.09178	28.0
194.10367	100.0
244.33031	1.0
247.05983	1.1
259.35901	1.1
285.14746	1.3
287.16095	9.1
301.94653	1.2
313.14032	67.3
331.15091	81.4
493.20139	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	493.2072
Annotation	Schizandriside
Peak:m/z	Relative Intensity
59.80569	2.6
64.01537	2.5
76.64960	2.6
89.79385	2.7
95.08582	4.0
103.05434	13.0
107.04930	7.5
113.19524	3.0
117.07048	3.4
131.04901	43.1
131.87837	3.4
135.08029	3.3
137.05974	46.6
151.07513	15.2
161.06007	12.7
163.07536	100.0
165.75410	3.3
175.07535	11.9
177.09073	25.9
189.09116	19.4
203.10739	3.8
207.10071	15.4
215.10759	3.5
219.10062	4.2
221.11739	12.5
227.10631	4.2
241.34557	3.1
280.83099	3.1
331.15436	18.4
335.57913	3.7
475.30664	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	493.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
57.03432	1.0
58.90704	0.7
61.08731	0.7
67.05496	1.1
69.03433	1.1
77.03942	1.0
81.03409	1.6
81.07034	1.3
91.05470	2.0
93.07034	4.3
95.04964	8.9
98.92345	0.9
102.91743	0.9
105.03391	100.0
105.04485	3.2
105.07021	5.2
107.04935	1.3
107.08581	4.0
109.06519	1.7
111.08143	0.9
117.07063	0.9
119.04890	0.9
119.08548	1.5
121.06512	3.4
121.10168	1.8
122.85037	0.8
129.07022	1.2
131.08554	1.4
133.06543	3.3
133.10107	4.7
135.08032	1.1
141.06992	1.0
142.07704	1.2
143.08563	4.5
145.06491	1.3
145.10153	3.4
147.08005	1.0
148.06921	1.0
149.09537	1.8
155.08557	3.5
157.10135	4.2
159.08046	3.5
159.11632	1.1
161.09630	5.9
165.07014	1.4
167.08540	5.0
169.10147	4.1
170.93938	0.9
171.07944	3.6
171.11656	5.7
173.09628	2.0
175.07516	1.9
177.09053	2.0
179.08514	1.9
180.09320	1.7
181.10124	6.1
183.07986	1.3
183.11697	4.9
185.09615	4.5
185.13234	1.0
187.11200	1.6
193.10181	5.4
194.10913	6.6
195.07899	1.0
195.11708	13.1
196.12527	1.2
197.09602	4.7
197.13295	4.0
199.11176	7.5
199.14751	0.9
201.12785	1.6
205.10130	1.6
206.10959	1.6
207.11662	5.7
208.09044	1.1
208.12537	1.7
209.09846	2.5
209.13240	26.8
210.10371	1.0
211.11163	4.4
212.12056	1.0
213.12691	2.0
217.10205	1.2
219.11635	1.3
221.13290	1.5
222.10367	5.4
222.14015	3.4
223.11127	2.1
223.14749	1.6
224.11998	1.0
225.12668	5.6
226.97546	1.0
227.10703	8.3
227.14255	3.5
229.12248	1.2
232.12360	1.2
233.09453	1.5
235.11162	3.7
236.11890	0.9
237.12738	23.6
237.16266	2.6
239.14285	5.5
241.12329	1.1
247.14810	1.8
249.12906	1.1
250.13585	1.4
251.10594	1.1
251.14304	2.1
253.12152	1.6
253.15848	1.0
255.13762	16.3
265.13306	0.9
265.15762	7.1
267.13699	1.9
269.11795	1.0
269.15265	1.7
281.15204	3.3
283.16913	9.3
293.15387	6.8
295.16772	1.1
311.16400	19.2
313.18030	1.3
329.17422	6.8
356.07877	0.8
365.21725	0.9
371.18542	11.6
415.19080	1.2
433.20157	2.0
451.21048	1.7
489.39468	0.9
493.22256	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	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
62.71614	1.4
69.03459	1.7
70.37523	1.1
74.41931	1.4
79.05513	1.3
81.07067	1.8
91.05470	2.7
95.04950	9.3
105.03396	100.0
105.07027	3.4
107.08611	3.2
110.74911	1.4
111.08106	1.5
119.08584	2.4
119.82758	1.5
121.06495	3.2
123.08052	1.7
131.08563	2.1
132.14119	1.4
133.06491	2.2
133.10123	2.3
135.08055	5.4
137.05945	3.0
143.08586	6.3
145.10135	3.5
147.08022	3.0
154.73128	1.5
155.08604	2.0
157.10162	2.4
159.08069	2.3
159.11687	1.9
161.09618	7.0
169.10098	2.0
171.08072	2.4
171.11673	1.5
173.09621	2.7
179.08499	1.5
181.10056	4.9
182.10735	1.5
183.11775	2.2
185.09605	5.7
187.11168	2.1
189.08936	1.6
193.10165	4.9
194.10829	1.7
195.11685	7.8
197.09602	2.1
199.11227	2.1
204.99533	1.5
206.10933	1.6
207.11778	5.0
208.12483	2.5
209.09593	8.0
209.13144	5.1
210.10309	1.6
211.11238	6.7
221.09593	2.1
221.13199	2.1
223.11150	6.3
223.14828	2.0
225.12726	3.1
227.10602	1.7
232.12370	2.7
235.11017	2.3
236.11917	2.7
237.12740	5.6
237.16316	2.1
249.12740	2.5
250.13548	2.1
251.14297	6.5
260.11865	2.7
263.14267	1.9
265.15851	6.9
267.13840	1.6
269.15503	1.7
275.14169	2.5
281.15198	2.4
283.16901	2.9
293.15317	13.2
295.13837	1.4
311.16290	13.3
329.17477	10.2
371.18454	10.1
412.60901	1.9
433.20209	6.2
493.22238	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	493.2236
Annotation	Mortonol A
Peak:m/z	Relative Intensity
53.03938	0.8
60.38691	0.8
69.03408	5.5
70.03758	1.0
77.03931	1.6
78.81245	0.8
79.05470	1.7
85.02886	1.6
87.04461	1.4
91.05466	1.6
92.18471	0.9
93.07021	5.6
94.92242	1.0
95.04962	8.7
95.08607	1.4
97.02866	5.9
103.05477	0.9
105.03386	100.0
105.04485	3.5
105.07027	21.6
109.06525	1.0
109.10150	1.2
115.03921	4.0
119.08548	5.5
121.06507	9.0
121.10092	1.7
123.08047	1.4
129.07007	0.8
131.08563	6.0
133.04974	1.6
133.06462	3.7
133.10115	45.9
134.14342	1.0
135.11705	1.4
139.07532	4.3
140.07866	1.5
143.08554	1.4
145.10097	4.4
147.11679	0.9
148.79628	0.8
149.05942	6.2
151.07532	1.5
156.09377	1.1
157.10164	1.9
159.08086	1.4
159.11647	1.2
161.05861	1.1
161.09595	34.7
163.11108	1.6
171.11707	9.2
173.09543	1.8
177.05498	2.0
183.11615	1.1
185.13231	1.1
195.11717	1.4
199.11147	0.9
205.55792	0.8
206.10802	1.0
207.11650	2.1
209.13274	1.1
212.58366	0.9
215.14055	1.0
217.10071	1.5
219.11514	1.2
221.13229	3.3
223.11061	1.0
223.14720	0.9
225.12709	1.5
232.12431	3.6
234.87843	0.8
235.11139	0.8
247.14755	7.8
249.12772	1.4
265.15842	5.1
275.14273	2.1
283.17010	1.1
293.15314	4.8
303.18332	1.2
311.16422	5.0
433.19656	1.0
493.22177	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74620	0.6
60.89271	0.7
63.72856	0.8
74.90519	0.8
79.05492	1.1
80.37560	0.9
81.96806	0.7
85.02904	1.2
91.05470	3.7
93.06974	1.0
95.04916	1.2
95.08636	0.8
101.90630	0.9
105.07031	3.7
107.04957	1.7
109.06513	1.1
109.10127	1.0
119.04941	5.6
121.06452	0.9
121.10121	1.3
122.03613	2.8
123.04405	1.8
123.08002	1.3
123.11695	0.9
129.06982	1.2
131.04909	7.5
133.06474	3.4
135.08072	1.5
137.05974	100.0
140.00563	0.8
143.08511	1.0
145.06523	1.4
147.08081	1.1
149.05951	1.9
151.03876	1.6
151.07523	23.5
157.06482	1.1
161.05962	4.7
163.07521	14.8
165.05457	1.5
165.09097	1.6
167.08456	1.6
174.06787	0.9
175.07527	5.0
175.52901	1.0
177.05431	1.4
177.09047	1.8
185.09569	0.9
187.07539	3.3
189.09146	3.6
193.06577	1.8
193.08571	3.9
195.08066	5.4
203.07117	0.9
207.10167	6.1
209.09581	0.9
210.06946	0.9
221.06017	4.1
223.07617	1.9
223.79163	1.1
225.09100	1.8
227.10669	8.6
249.08887	0.9
251.10712	1.6
253.08553	5.5
255.10155	4.3
257.11493	0.9
267.10175	5.8
279.10196	1.3
285.11301	6.5
287.12799	17.2
313.14325	3.9
313.17990	4.1
325.14319	1.0
331.18958	1.5
339.15735	0.9
351.15912	3.7
369.17142	0.9
400.16333	0.9
415.19083	1.7
439.36490	0.9
443.18457	1.9
475.21240	8.5
493.22336	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	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38291	0.6
53.03946	1.8
57.03460	0.7
57.07086	5.0
57.26725	0.7
66.22061	0.7
67.05497	2.8
69.07061	2.9
69.43723	0.6
71.04987	0.8
74.41936	0.7
76.05919	0.6
77.03902	1.0
79.05465	1.2
81.07044	3.9
83.04996	0.8
83.08602	1.2
85.10155	1.0
91.05456	2.9
91.92603	0.6
93.07027	3.9
95.04962	6.6
95.08624	6.0
95.48909	0.7
97.10141	0.7
105.03397	100.0
105.04489	2.8
105.07034	7.6
107.04939	1.6
107.08602	4.4
109.06519	1.0
109.10155	14.7
114.34827	0.7
117.07048	1.4
119.08587	3.2
121.06515	0.8
121.10112	2.9
123.04462	0.9
123.08054	1.4
123.11722	0.8
127.11191	1.4
129.06946	1.1
131.08568	2.8
133.06488	4.3
133.10124	3.3
135.08067	1.4
135.11697	0.8
137.05980	2.7
137.09595	1.5
137.13277	3.4
143.08556	6.7
145.06436	0.8
145.10159	6.1
147.08052	1.6
147.11758	0.9
149.09633	1.7
149.13261	0.9
151.07574	0.8
155.08513	3.9
157.06473	1.2
157.10101	4.8
159.08051	3.0
159.11705	4.9
161.09627	2.6
165.07002	1.4
166.07762	1.1
167.08597	1.2
169.10120	9.7
171.08052	3.8
171.11716	5.3
173.09633	6.2
173.13176	0.9
175.11171	2.9
177.09085	0.8
179.08560	2.8
180.09412	0.9
181.10098	5.8
183.11696	4.2
185.09644	3.7
185.13321	1.0
187.11148	4.0
189.09091	1.1
191.10617	1.3
193.10115	3.8
195.11668	7.3
197.09641	4.0
197.13304	4.2
199.11206	11.8
205.12178	1.1
206.10901	1.3
207.11708	4.5
209.09605	4.1
209.13289	3.9
210.10460	1.2
211.11188	3.4
211.14752	2.7
213.09065	1.1
213.12782	3.0
214.40633	0.8
215.10616	1.6
215.14310	1.1
217.12331	0.8
221.13254	1.6
222.14044	1.5
223.11119	4.1
223.14862	3.2
225.12769	3.8
227.10658	6.3
227.14294	1.2
232.12491	0.9
235.11194	3.2
236.12030	1.1
237.12700	4.6
237.16370	3.1
239.14331	3.0
241.12181	1.5
247.14821	2.8
249.12636	0.8
250.13440	1.8
251.10660	1.5
251.14346	3.6
253.12282	1.1
253.15865	1.0
255.13857	1.1
255.17499	2.8
265.15878	10.0
267.13806	1.6
269.11774	1.1
269.15338	1.4
275.14255	1.2
278.13141	1.0
281.15430	1.8
283.16946	7.0
293.15350	7.4
311.16449	17.8
371.18613	5.1
433.20096	23.3
439.32141	1.0
449.19528	4.4
451.21439	0.9
457.33011	3.4
475.34116	7.6
493.22629	13.6
493.35211	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	493.2219
Annotation	Anthoptilide D
Peak:m/z	Relative Intensity
53.03950	1.8
69.03434	1.3
79.05481	1.7
81.07046	1.4
86.08494	1.0
90.99946	0.9
93.07008	2.1
95.04973	10.8
95.08569	1.2
100.73841	0.9
105.03390	100.0
105.04491	3.6
105.07032	7.5
107.04964	1.7
107.08578	2.4
109.06493	1.3
117.07012	1.1
119.08581	4.9
121.06503	5.3
123.08060	1.8
124.08156	1.0
131.08557	2.5
133.06470	1.6
137.09593	1.7
143.08562	5.1
145.06476	1.1
145.10059	1.7
147.08038	2.0
149.09569	4.1
155.08539	1.9
157.10091	4.4
159.08035	4.0
161.09616	5.8
167.08583	1.4
169.10085	5.3
171.08034	2.3
173.09636	4.8
175.10999	1.2
179.08595	1.3
180.09268	1.1
181.10086	5.0
183.11746	1.9
185.09633	4.3
187.11035	1.5
189.09097	1.4
193.10101	2.3
194.10942	1.4
195.11661	7.5
197.09636	5.5
199.11209	6.2
205.10098	1.2
207.11740	5.4
208.08731	1.4
208.12498	1.7
209.09613	4.7
209.13298	4.1
210.10442	2.1
211.11198	5.6
213.12794	2.0
217.10222	1.2
221.13266	2.2
222.10381	1.7
223.11119	9.1
223.14764	1.9
225.12817	2.2
227.10698	2.4
232.12466	4.8
235.11093	4.5
235.14828	1.7
236.11987	2.3
237.12881	1.4
239.10596	2.4
239.14336	1.9
241.12253	4.1
241.15834	1.2
245.09531	1.5
247.14787	3.8
249.12766	1.5
250.13538	1.3
251.10616	2.0
251.14317	6.0
253.15903	1.2
255.13797	1.3
263.14313	4.2
265.15802	8.5
267.13824	2.2
269.12009	1.6
269.15344	4.8
271.17130	1.4
275.14343	2.0
278.12988	1.3
281.15491	4.3
283.16830	5.6
293.15344	10.8
311.16370	16.9
324.23218	1.0
329.17508	9.6
371.18457	11.2
433.20078	6.4
493.22351	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	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43140	0.5
52.54411	0.5
63.80731	0.5
69.03432	0.8
85.46478	0.5
91.05489	4.6
95.04951	1.3
103.05450	1.3
105.07018	1.4
109.06484	1.1
119.04970	4.7
121.06494	2.1
122.03623	3.4
123.04443	0.7
129.06960	0.8
131.04893	8.1
133.06532	1.9
135.08040	2.6
137.05971	100.0
145.06465	1.2
149.05984	3.3
151.07538	22.6
157.06523	0.7
161.05927	4.4
163.07526	14.3
165.06989	0.9
165.09084	2.2
167.08563	2.3
174.06773	0.9
175.07581	2.9
177.09198	0.9
187.07553	2.7
189.09105	5.1
193.06485	1.1
195.08020	6.3
198.14255	0.6
201.09076	1.4
203.10756	0.7
207.08035	0.6
209.09645	0.8
210.06779	0.7
213.09125	0.8
221.05971	4.1
221.09608	0.6
223.07489	2.7
224.08304	0.7
225.09152	2.9
227.10646	8.8
237.09119	0.8
239.10706	0.6
249.09048	0.8
251.10541	1.0
252.07787	0.8
253.08603	5.3
253.12302	0.9
255.10187	6.8
267.10037	4.2
270.05234	0.8
285.11258	4.7
287.12778	17.9
305.11774	0.7
313.14395	3.5
315.04959	3.1
316.05716	3.4
325.14407	0.7
331.08105	18.4
337.14249	1.0
351.15936	6.6
369.17020	2.6
415.19116	0.9
443.18481	2.1
453.50772	0.6
475.21338	6.7
493.13632	1.0
493.21973	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	493.2218
Annotation	Mortonol A
Peak:m/z	Relative Intensity
59.83667	1.2
63.27025	1.6
75.76424	1.5
83.69449	1.3
86.56934	1.2
91.05513	2.2
93.07031	3.1
95.04961	7.9
97.06563	2.6
102.61377	1.3
105.03396	100.0
105.07008	6.9
107.08592	2.7
109.06475	1.8
119.08548	7.4
121.10195	3.3
123.08112	1.8
131.04932	1.6
133.06445	2.3
133.10107	5.5
135.04424	2.5
135.07970	1.8
137.05984	5.9
143.08611	1.7
145.06422	1.4
149.09616	2.2
157.10107	1.8
159.08052	3.0
159.40663	1.7
161.09593	17.2
167.08699	1.4
169.10161	2.3
171.08005	2.4
173.09636	2.5
175.11156	2.0
181.10051	1.7
183.11639	1.9
187.11353	2.0
193.10144	1.6
195.11703	5.8
197.13286	1.8
199.11253	2.4
207.11768	1.8
209.09540	1.9
209.13257	3.3
211.11128	3.1
222.10463	2.4
223.11330	3.4
223.14819	6.0
232.12527	1.7
235.11154	1.8
237.12788	1.9
237.16405	2.9
241.12198	1.8
247.14780	2.3
251.14407	2.9
265.15909	10.9
269.15317	3.4
281.15375	2.7
283.16837	3.1
293.15424	10.0
311.16452	21.9
329.17392	2.6
333.14700	1.8
360.49146	1.9
371.18542	6.7
433.20038	2.3
465.60410	1.5
493.21802	24.4
509.48105	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	493.2224
Annotation	Anthoptilide D
Peak:m/z	Relative Intensity
53.03937	2.2
59.76825	1.1
69.07077	1.6
70.92880	1.3
76.99392	1.3
91.05460	2.1
93.07048	4.9
95.04950	8.0
105.03393	100.0
105.07006	5.6
119.08610	2.7
121.06468	2.0
133.06516	2.9
133.10136	3.1
136.35262	1.2
143.08554	8.2
145.10144	2.5
155.08527	1.9
157.10117	7.6
161.09644	1.9
167.08571	1.7
169.10124	14.2
170.10780	1.3
171.08046	2.1
171.11653	6.7
173.09578	2.3
179.08527	2.4
181.10124	7.9
183.08147	1.4
183.11745	2.8
185.09599	5.1
187.11195	1.5
193.10141	2.6
195.08163	1.5
195.11682	6.3
197.09618	2.9
197.13196	4.9
199.07433	1.3
199.11217	15.2
207.11690	4.6
208.12540	1.9
209.09647	7.7
209.13242	4.6
211.14825	2.0
213.12759	1.6
215.10678	1.5
215.14311	1.4
221.13347	1.9
222.14073	1.5
223.11263	2.4
223.14774	2.5
225.12790	3.0
227.10582	8.9
232.12411	1.5
237.12778	5.1
237.16365	2.7
239.14418	2.0
241.15950	1.4
243.13835	1.6
247.14941	1.9
250.13489	2.8
253.12273	1.9
253.15790	2.8
255.17491	2.6
257.56091	1.3
265.15933	7.5
267.13727	1.5
275.14218	1.7
281.15494	2.5
283.16846	9.8
293.15335	5.0
311.16373	19.7
371.18509	5.8
420.34006	1.4
428.01178	1.4
433.14859	1.8
433.20087	50.7
437.40060	1.6
493.22067	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2222
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.63187	0.9
52.84952	1.2
55.24701	1.4
60.73532	1.1
72.08151	11.5
78.28553	1.3
89.79624	1.2
93.07050	1.5
95.04966	11.2
95.08608	2.2
105.03396	100.0
105.04490	3.1
105.07014	3.1
106.42345	1.3
118.16093	1.4
119.08559	1.8
120.08105	27.5
121.06497	2.0
131.08543	1.9
135.08066	2.0
145.10129	2.9
149.09683	1.3
159.08075	2.7
171.11723	1.7
171.14935	2.6
177.09102	2.7
181.10132	2.9
183.11676	3.2
185.13274	1.8
193.10217	1.6
195.11650	2.3
197.13354	1.8
201.12744	6.8
207.11607	1.7
209.09413	1.5
209.13326	1.7
211.11230	1.8
213.12698	1.7
219.14932	6.2
221.13185	2.0
223.11162	2.3
223.14937	1.4
233.13321	1.5
235.11053	1.9
237.16315	1.9
241.15614	1.6
247.14740	2.5
250.13565	1.9
251.14261	1.6
253.12387	1.6
255.17557	1.6
261.94968	1.3
265.15860	3.0
269.15323	2.3
283.16782	6.6
293.15137	2.4
311.16376	12.5
329.17670	2.5
346.21454	2.6
353.17279	1.7
371.18646	2.4
415.19452	1.6
433.20190	3.3
493.22217	20.6
519.44086	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	493.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60836	5.1
55.05487	5.2
59.85202	4.3
63.63418	4.2
79.05457	7.5
92.17780	9.2
93.07009	7.9
95.08574	6.7
97.06548	6.2
105.07027	8.1
107.08604	7.9
109.06550	7.9
109.10194	5.7
113.61850	4.9
119.08572	8.5
121.06454	12.2
121.10178	9.5
123.08102	7.8
131.08568	9.5
133.06493	5.6
133.10133	6.2
137.09578	7.4
138.15202	5.2
143.08545	10.1
145.06465	6.1
149.09668	11.7
153.09035	5.8
155.08476	7.5
157.10132	8.5
159.07999	21.0
161.09607	10.3
169.10124	12.0
171.11720	11.2
175.11205	7.6
183.11635	10.7
187.11137	8.3
195.11798	6.5
197.09607	9.2
197.13263	12.2
205.08664	5.3
211.11290	6.9
213.21576	5.7
215.14362	7.0
237.12677	5.8
267.17377	10.0
277.15808	7.0
285.18481	5.6
289.69827	5.9
295.16855	20.7
313.17996	33.3
331.19046	100.0
373.19965	11.1
391.21097	6.3
493.24207	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.243
Annotation	Taxuspine W
Peak:m/z	Relative Intensity
54.24477	5.8
71.28645	6.9
76.48956	6.8
79.05490	8.4
92.18570	11.6
101.63999	8.0
105.07005	17.3
107.08590	9.6
121.06496	12.9
123.08086	9.8
133.10152	8.0
134.63811	7.0
135.08070	11.9
145.06447	7.2
155.08598	14.6
160.65002	7.8
171.11682	9.0
173.09612	7.4
177.09109	8.4
183.11647	41.8
185.09547	10.0
193.10118	9.2
194.10904	7.7
195.11736	13.4
198.00838	7.6
207.11702	14.8
209.13313	8.9
211.11249	58.4
225.12723	33.7
231.11392	6.9
239.17867	9.4
249.16293	9.8
253.12187	10.6
267.17477	32.1
268.13519	7.1
271.13770	7.2
271.16910	11.3
277.15878	27.3
295.16992	48.1
309.91898	7.4
313.17844	52.9
331.18893	12.3
355.19110	9.4
373.19968	38.2
415.21143	12.1
433.22272	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	493.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90177	5.3
67.05493	8.3
72.93741	4.8
75.12677	5.2
79.05500	9.3
81.07035	11.2
91.05474	10.0
93.07038	24.3
95.04953	27.1
95.08583	12.6
97.06561	8.7
97.35119	5.5
105.07020	36.8
105.21597	6.0
107.04943	25.6
107.08589	36.7
109.06514	30.9
109.10122	28.7
111.08064	6.4
119.08580	26.5
121.06481	8.8
121.10149	20.2
123.08063	28.0
129.07016	11.1
131.08540	35.2
132.22995	7.0
133.06506	6.5
133.10135	22.2
135.08069	21.2
137.09598	12.7
143.08571	23.9
145.06473	7.4
145.10139	24.5
147.08051	10.8
147.11684	9.7
149.09576	11.3
155.08586	7.1
157.10143	29.7
159.08075	10.9
159.11644	12.1
161.09598	12.4
167.08568	6.6
169.10097	25.0
171.11754	8.4
173.09593	12.4
173.13155	7.4
175.11197	23.0
181.10164	11.5
183.11665	13.0
185.09628	13.1
185.13280	10.0
187.11169	7.8
195.11714	27.2
197.09732	5.5
197.13213	9.9
203.29063	5.6
207.11653	28.3
209.09602	8.1
211.11205	13.4
211.14914	7.3
213.12737	7.3
215.10698	10.3
215.14195	5.9
223.11133	6.7
223.14832	12.3
225.12743	9.8
225.16240	6.4
234.13924	10.4
241.12161	10.4
247.92447	6.4
249.16373	20.7
252.14914	5.9
253.15865	7.4
267.17377	28.8
277.15829	7.0
285.18356	7.3
295.16861	26.4
304.91519	6.3
313.17953	100.0
331.19055	33.5
373.20142	47.9
413.49210	5.9
493.24402	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	493.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10182	7.0
55.53424	6.6
67.05495	12.1
67.52001	6.5
69.07047	14.5
79.05487	14.4
81.07065	14.4
85.65401	7.7
93.07030	18.3
94.96969	8.9
95.04981	13.8
95.08575	12.4
101.71783	7.1
102.17513	8.2
105.03390	66.3
105.07029	32.5
107.08583	36.1
109.06522	17.2
109.10160	12.4
112.42807	8.3
119.08577	30.7
121.06506	32.9
121.10129	17.6
123.08010	7.8
128.04874	7.3
131.08575	14.2
133.10133	19.2
135.08093	10.2
143.08554	17.3
145.06511	11.6
145.10139	19.6
147.08000	10.7
147.11659	11.5
149.05893	8.3
149.09676	10.8
155.08517	13.5
157.10114	31.6
159.08076	8.9
159.11679	31.2
161.09616	34.6
165.07042	7.8
169.10155	31.7
171.08060	14.3
171.11732	10.2
173.09630	17.1
174.30940	8.5
179.08682	10.2
181.10172	17.9
183.11647	29.3
185.09634	10.3
185.13258	8.5
193.10086	17.6
195.11711	19.5
197.13275	34.1
207.11700	30.4
209.13242	18.5
211.11259	9.9
223.14874	10.7
225.12669	11.1
225.16521	8.8
227.10686	13.5
227.14207	11.4
234.14085	9.9
237.12799	18.9
238.16742	9.2
241.12097	8.1
241.15775	9.3
249.16269	9.9
265.15958	10.9
267.17386	32.4
285.18271	8.7
295.16797	54.4
311.16507	18.0
313.17892	100.0
331.19208	10.4
373.20160	17.4
493.24023	10.8
493.34457	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	493.2431
Annotation	Scupolin J
Peak:m/z	Relative Intensity
55.01868	6.0
55.05505	6.2
59.85602	4.9
66.83593	5.5
67.05502	11.0
67.24004	4.9
69.03416	8.2
69.07043	7.7
70.49667	4.9
79.05496	8.4
81.07040	10.1
91.05485	12.0
93.07024	13.5
95.04955	25.2
95.08577	12.5
97.06551	6.6
102.72463	5.8
105.07020	37.6
107.04939	21.9
107.08575	49.6
109.06484	13.9
109.10154	26.2
117.07045	9.9
119.08560	36.4
121.06492	24.8
121.10133	32.5
123.08046	22.4
129.06966	7.7
131.08592	46.0
133.06509	12.4
133.10126	29.0
135.08040	10.7
135.11679	6.0
137.06042	9.7
137.09628	10.7
137.43388	5.2
141.06987	7.6
143.08553	37.0
145.06505	7.0
145.10112	26.4
147.08029	13.5
147.11746	7.7
149.09572	13.6
151.07547	7.0
155.08554	26.5
157.10103	31.8
159.08009	30.3
159.11687	27.4
161.09564	21.9
163.07555	6.0
163.11241	7.6
167.08577	10.3
169.10123	27.2
171.08057	11.2
171.11639	12.5
173.09573	22.6
173.13278	10.3
175.11128	23.5
179.06976	5.2
179.08456	9.2
181.10118	7.5
183.08153	6.5
183.11670	38.0
185.09587	13.6
187.11188	23.6
193.10155	10.2
195.11745	21.1
197.09605	13.1
197.13261	20.9
199.11176	8.6
201.09293	7.2
207.11725	24.8
209.13245	13.1
211.11168	24.5
211.14798	5.9
215.10635	10.2
220.12381	7.1
223.14903	17.1
224.11917	7.1
225.12743	8.7
225.16400	7.5
227.44603	6.4
234.13934	7.0
241.12263	10.4
247.11108	6.4
249.16365	9.6
253.15871	7.4
267.17529	27.1
277.15903	7.3
285.18604	6.9
295.16919	45.3
313.17987	100.0
318.62122	6.0
331.08136	12.4
331.19025	39.9
373.20114	96.5
387.10849	6.5
433.22150	8.5
493.24234	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
69.07064	15.4
91.05470	3.6
93.07018	3.3
95.04956	12.1
95.08581	3.8
97.06538	36.7
102.11798	2.6
103.05477	3.0
105.03388	100.0
105.04474	3.0
105.07035	6.6
111.08069	4.1
119.04934	3.4
119.08578	5.3
121.06500	3.1
121.10178	5.7
131.04912	43.9
133.06488	3.7
133.10121	4.2
135.08020	3.0
137.05968	49.8
143.08519	4.8
145.10033	4.2
147.04381	3.7
147.08084	3.4
149.05998	4.0
149.09607	3.0
151.07542	23.6
157.10091	5.8
159.08073	6.1
161.05916	4.0
161.09634	25.9
162.06755	12.7
163.07489	28.9
169.10083	5.2
171.11632	3.1
173.09636	3.4
175.11122	10.8
177.09120	6.7
181.10030	2.9
187.11128	5.5
189.09096	13.9
195.11644	6.0
197.13283	4.1
199.11171	10.3
201.09125	3.0
203.10754	4.9
207.11836	3.0
211.11192	13.2
213.09071	4.5
213.12660	11.4
215.10664	11.9
221.13058	3.7
223.11203	5.1
225.12679	6.3
227.10577	4.0
229.12219	20.0
236.12149	3.6
237.12749	9.3
237.16428	3.5
243.13864	3.8
251.14223	3.0
265.15881	11.1
269.15359	4.6
271.16995	6.6
283.16968	11.6
293.15399	4.8
311.16275	21.2
313.17996	12.6
325.18234	10.4
329.17093	3.5
365.17407	4.5
371.18420	4.3
371.26886	2.8
431.04907	2.6
463.24515	5.8
475.25351	10.6
493.26498	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2583
Annotation	Roxburghine B
Peak:m/z	Relative Intensity
63.65105	3.4
64.47618	3.1
69.07067	18.8
91.05465	3.6
94.91869	3.3
95.08550	4.2
97.06529	34.5
105.03387	17.3
107.04930	15.9
119.04964	4.8
120.41604	3.5
131.04939	53.7
133.02911	3.2
133.06529	3.4
133.10120	3.6
135.08109	3.1
137.05977	63.9
139.15697	3.2
147.04413	3.8
149.06017	5.1
151.07538	24.4
159.08037	5.3
161.06004	4.4
161.09714	3.6
162.06776	18.9
163.07526	34.0
171.08052	3.9
173.09587	4.2
175.11128	5.8
177.09099	4.5
183.11794	3.6
185.09680	3.0
187.11137	7.7
189.09094	5.1
197.09610	3.7
199.11157	7.4
201.12704	5.0
215.10736	6.2
227.10684	13.8
229.12262	20.7
235.11122	4.5
237.12846	5.7
253.12123	4.7
271.16968	4.9
283.16885	5.1
295.16864	6.1
313.17957	13.9
372.05618	3.0
376.34140	3.3
451.52536	3.2
463.24756	7.0
475.25070	6.0
493.25912	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	493.2587
Annotation	Roxburghine B
Peak:m/z	Relative Intensity
56.60562	0.3
57.51394	0.3
64.78181	0.3
69.50846	0.3
79.05505	0.3
82.77470	0.3
95.04979	3.2
105.03374	1.9
105.07053	0.3
107.04960	18.0
107.08578	0.3
117.07048	0.6
122.56199	0.3
135.08052	100.0
145.06483	0.5
145.10103	0.6
147.08047	1.4
161.09564	2.1
165.84068	0.3
173.09625	5.2
191.10701	1.8
209.11722	10.4
232.38208	0.3
271.72729	0.3
325.17957	5.1
358.66449	0.3
493.25842	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	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89728	2.3
55.96413	2.6
59.03825	2.7
67.05477	3.5
69.07078	4.1
81.07055	11.7
82.36192	3.2
91.05481	3.7
93.07018	12.0
95.08591	6.4
97.06522	2.9
105.03393	25.0
105.07014	12.1
105.27292	2.7
107.04929	3.3
107.08592	4.6
109.06515	91.9
109.10143	4.3
111.08088	4.9
119.08572	6.5
121.10107	4.8
123.04353	3.3
131.08562	6.1
133.10101	36.9
135.08069	5.8
137.05954	49.7
137.09602	4.2
139.07500	15.4
145.06480	100.0
145.10100	10.7
147.08041	12.5
147.11644	4.2
157.10138	6.5
159.08041	3.7
159.11685	14.9
161.09560	6.4
163.07532	29.2
165.09096	21.0
169.10114	3.5
171.11659	11.7
173.09682	5.1
173.13249	18.0
183.10130	16.7
183.11676	12.0
185.09683	3.2
187.14774	4.3
195.11748	3.8
197.13208	7.1
199.14966	4.5
201.12663	32.2
205.08589	15.6
207.11731	5.8
211.11348	3.7
215.14252	3.6
223.14732	4.2
239.17929	18.7
249.16466	4.9
257.18997	12.9
267.17441	29.4
285.18427	36.8
293.13907	16.5
311.16278	4.5
327.19531	24.5
345.20700	4.5
354.33398	3.7
371.18393	3.9
472.01901	3.3
489.83734	3.1
493.22061	13.0
493.28262	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	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.76323	0.6
54.10929	0.6
55.05511	2.5
57.33759	0.6
63.59864	0.5
72.08157	41.3
74.42865	0.6
77.03934	0.8
78.51498	0.6
93.07023	0.7
95.04968	2.8
105.03394	27.6
120.08100	100.0
121.88821	0.7
123.08070	0.6
135.08051	0.8
171.14899	11.9
174.12828	3.5
185.09637	0.7
199.14459	5.4
207.60188	0.7
209.13229	0.9
217.38148	0.7
219.14934	28.8
247.14392	10.3
265.15744	0.9
267.14877	12.3
279.82117	0.7
283.16830	1.5
293.15381	1.1
295.14386	7.6
301.19147	3.1
311.16470	4.6
312.57953	0.7
346.21243	13.1
348.29489	0.7
349.19156	1.0
391.33386	0.6
394.21240	16.6
448.26108	1.0
465.28552	8.9
493.21973	3.6
493.27982	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	493.3161
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.04050	2.6
54.12958	2.4
55.05496	2.6
57.07065	5.0
67.05485	4.5
69.07056	12.8
79.05492	3.6
81.07076	19.4
83.08612	4.8
93.07008	11.7
95.04957	19.1
95.08608	38.6
97.92154	2.5
105.07050	6.9
107.08593	18.4
109.06519	4.0
109.10161	10.8
111.08073	6.9
113.09630	12.5
119.08582	10.9
121.06533	4.5
121.10150	23.3
123.08050	4.6
131.08560	4.7
133.10133	6.3
135.08075	5.0
135.11728	5.2
137.05981	16.9
137.09641	18.4
139.07544	3.1
139.11185	16.2
143.08516	4.0
145.06537	3.0
145.10109	16.9
147.11630	4.8
149.09630	4.6
151.07474	4.0
155.10661	14.2
157.06561	3.7
159.08058	13.8
159.11719	5.3
161.09628	3.2
161.13257	4.3
165.12764	4.2
173.09663	11.6
173.13336	3.3
175.07550	12.7
177.09125	4.2
177.12735	80.7
183.08078	2.8
183.11609	3.4
187.07619	4.6
187.11223	4.6
189.09140	6.3
191.10666	11.3
195.13875	6.3
197.13310	3.8
203.07133	3.3
213.12770	3.4
219.13812	12.2
225.12891	3.1
225.16443	3.8
251.14404	3.2
253.15909	4.0
265.15811	2.8
283.17157	4.6
299.16623	6.2
301.17960	5.1
311.19946	4.7
357.20749	3.3
439.28308	6.8
445.29379	4.0
457.29446	92.4
475.30560	63.7
493.31543	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	493.3165
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
57.07070	7.6
58.93630	1.0
63.14365	1.1
67.05495	2.3
72.38279	1.1
81.07061	1.7
83.08617	2.1
89.37532	1.2
91.58641	1.4
93.07031	5.9
95.04955	6.3
95.08598	6.3
105.07037	1.6
107.08588	8.1
109.06518	4.9
109.10128	5.1
111.08066	7.4
119.08571	2.4
121.06540	1.5
121.10105	4.9
123.08099	1.2
127.07539	8.0
127.11169	2.8
133.10127	2.6
137.05937	1.4
137.09619	2.1
139.11154	2.0
143.08560	2.2
145.10110	7.7
147.08043	1.5
151.11195	1.6
155.10643	15.3
159.11642	5.3
161.09586	1.4
173.09634	2.4
173.13237	2.2
177.12737	91.9
185.13164	1.4
187.11130	2.1
191.10739	1.4
195.13806	1.3
219.13776	5.0
283.17001	2.0
301.17688	1.9
311.20230	1.3
313.65240	1.3
316.05789	2.5
331.08093	26.6
339.19620	1.5
342.55280	1.2
351.74976	1.3
368.75571	1.3
375.59885	1.2
439.28461	7.3
457.29453	100.0
475.30524	22.7
493.31680	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3163
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
55.05509	6.7
56.14403	1.5
60.69656	2.0
64.24775	1.6
67.05489	3.1
69.07066	2.5
71.20210	1.7
79.05486	2.3
81.07040	10.8
83.08617	14.8
85.06563	1.8
92.18439	2.8
93.07022	11.2
95.04964	7.0
95.08602	31.2
105.07040	8.3
107.08591	3.3
109.06513	6.3
109.10138	2.4
111.08103	15.7
113.09629	19.1
117.07041	2.8
119.05000	1.7
119.08560	7.2
121.06501	3.2
121.10126	4.0
123.08062	2.3
123.11723	21.0
129.07011	3.4
131.08563	7.2
133.10138	7.7
135.08031	2.9
135.11687	2.3
137.05986	7.9
141.12756	3.9
143.08565	8.8
145.10110	2.8
147.07968	1.9
147.11769	2.5
149.09654	2.2
157.10054	2.8
159.07983	2.8
159.11685	3.5
161.09598	7.3
161.13235	2.1
167.08559	2.7
169.10181	2.6
171.08055	2.5
171.11751	7.3
173.09634	10.6
173.13252	3.2
175.11169	3.1
177.09056	2.4
179.14296	2.2
181.10167	3.1
183.11671	3.1
185.08020	1.9
185.09561	3.0
189.09102	2.9
195.11673	4.2
197.09589	2.0
199.11162	9.2
207.11676	2.5
209.13342	2.3
211.11157	2.3
213.12778	6.9
213.16327	1.7
217.12175	2.5
223.11142	4.0
223.14940	2.7
225.12859	2.3
233.13147	2.8
235.14764	2.3
237.12805	1.9
237.16464	1.8
249.14806	2.1
251.14258	11.7
253.15843	3.0
261.12604	1.7
263.14255	3.2
269.15521	15.8
269.18207	1.6
279.13760	3.1
281.15469	6.8
281.18973	3.2
287.16504	14.1
291.17407	3.8
299.16489	7.8
309.18637	6.7
317.17438	4.1
319.16864	3.4
321.18164	1.8
327.19562	7.1
337.17667	5.3
351.19574	2.1
355.19031	9.7
369.20532	3.5
373.20026	11.1
387.21640	9.2
391.21014	10.3
405.22739	7.7
421.27237	2.4
431.39014	1.7
439.28378	14.7
440.03210	1.7
457.29431	41.1
475.30530	100.0
493.31528	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	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.0
55.89876	1.1
57.03438	5.9
57.07080	53.2
61.09159	1.3
67.05500	15.0
69.07080	9.8
71.08262	2.3
71.08630	54.5
75.99699	1.1
81.07062	19.9
83.08620	19.2
85.10188	37.9
87.64577	1.2
89.06007	1.8
95.08601	41.0
96.60883	1.4
97.10180	10.0
100.95750	1.3
103.07555	1.9
108.85584	1.3
109.10145	16.8
111.11735	2.2
119.57178	1.2
123.11680	5.9
137.13252	2.3
203.42458	1.6
239.23703	26.9
257.24792	2.8
313.27341	100.0
331.28381	22.5
457.29446	1.8
475.32443	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	493.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.03432	1.4
67.05502	2.6
69.03422	1.2
69.07069	1.1
72.13984	0.9
79.05453	1.9
79.16833	1.1
81.07054	5.1
83.08601	2.6
86.28149	1.2
91.05468	1.7
93.07037	6.3
95.08587	14.0
97.10163	1.5
105.03383	1.8
105.07027	5.8
107.04959	1.4
107.08582	11.0
109.06500	1.5
109.10161	32.1
109.50423	1.1
111.08144	1.2
111.47085	1.0
119.08596	3.9
121.06490	5.6
121.10131	4.0
123.08009	1.6
127.11191	6.4
129.07045	1.0
131.08572	2.3
133.10139	6.3
135.11725	13.3
142.75885	1.1
143.08589	2.3
145.10100	5.7
147.08043	5.4
147.11681	4.5
153.12695	7.5
155.08560	2.6
155.14310	1.9
157.10143	2.4
159.08115	1.4
161.09662	2.3
163.11169	1.5
171.11604	1.9
173.09610	7.5
173.13220	1.3
181.10159	1.2
183.11729	1.7
187.11139	1.3
189.09111	3.7
191.10675	8.2
193.10199	1.0
195.11716	1.2
197.13408	1.2
209.11653	3.9
211.11261	1.6
225.08379	1.1
225.16357	1.4
227.14290	6.3
229.15912	5.8
243.17426	1.5
249.16438	2.6
261.29007	1.1
267.17422	6.5
285.18466	11.2
295.17050	1.3
303.19510	6.4
313.18060	1.7
388.19443	1.2
493.35248	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	493.3518
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
53.03942	2.4
55.05502	5.5
56.14603	0.9
57.03434	1.8
57.07079	25.7
59.31228	0.9
67.05504	9.9
67.99033	0.9
69.03427	2.4
69.07076	9.7
70.48329	1.0
71.04974	1.7
71.08612	2.3
77.03909	1.9
79.05488	4.4
81.03404	1.3
81.07069	11.5
83.04980	1.7
83.08627	10.3
85.06522	1.2
85.10163	4.3
91.05480	2.5
93.07056	10.6
95.04971	9.2
95.08601	16.5
97.06523	2.5
97.10159	4.6
104.99532	1.1
105.03389	100.0
105.04514	4.3
105.07046	10.8
107.07926	1.3
107.08590	13.6
109.06498	4.8
109.10152	62.8
111.08056	1.6
115.05543	1.2
117.07027	1.8
119.04887	1.0
119.08584	4.5
121.06494	3.7
121.10133	5.0
123.04407	1.7
123.08058	5.1
123.11638	1.4
125.09637	2.0
127.11174	4.1
128.06203	1.1
129.06999	1.2
130.07793	1.4
131.08572	8.0
133.06470	4.4
133.10118	6.3
135.08049	5.3
135.11679	6.0
137.05904	1.1
137.09576	8.7
137.13245	21.0
143.08546	5.7
145.06487	4.4
145.10112	13.0
147.08025	5.8
147.11667	1.4
149.05952	1.4
149.09583	1.7
151.07581	1.3
155.08542	4.3
155.14258	2.2
156.09314	2.0
157.10115	8.4
159.08000	5.1
159.11690	9.4
161.09605	6.5
161.13234	1.3
165.07022	1.9
167.08592	2.3
169.06433	1.3
169.10143	9.0
171.08026	7.0
171.11636	8.7
173.09610	19.8
173.13245	2.2
175.11125	5.2
175.14824	1.4
177.12712	1.1
179.08649	1.7
181.10085	10.1
183.11665	4.9
185.09657	2.2
185.13327	1.5
187.11162	10.7
189.09099	2.1
191.10635	9.7
192.09406	1.3
193.10069	2.3
195.11691	7.1
197.09644	5.9
197.13281	5.8
199.07489	1.2
199.11238	13.1
205.12366	1.2
206.10922	2.1
207.11690	4.0
207.17400	1.1
208.12416	1.8
209.09625	5.0
209.13261	5.3
209.18996	4.0
210.10309	1.7
211.11134	4.2
211.14771	2.1
213.12715	4.1
215.10648	1.3
215.14305	2.5
221.09477	1.3
221.13275	1.9
222.14049	1.4
223.11206	5.3
223.14713	5.0
225.12709	5.1
227.10689	7.6
227.14345	2.3
231.13847	6.1
231.48793	1.1
232.12529	2.0
235.11182	2.3
237.12761	4.5
237.16336	4.1
239.14220	4.2
239.17973	1.5
241.12154	1.3
241.15857	4.0
243.13652	1.1
247.14749	2.1
249.14803	4.9
250.13448	1.6
251.14139	2.1
253.15929	2.0
255.13808	1.1
255.17406	5.1
265.15909	9.7
267.17395	2.0
281.15466	1.6
283.16852	8.8
285.18317	2.0
293.15427	8.5
293.18393	1.1
295.20645	5.1
303.19867	1.7
311.16354	18.1
313.21597	5.5
331.22681	1.3
347.22137	1.8
371.18524	4.4
415.18713	1.2
433.20010	31.2
439.32059	6.2
449.19659	3.7
457.33496	16.4
475.34067	32.6
493.22513	17.0
493.35178	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03429	5.3
59.05008	1.0
59.87184	0.7
69.03088	1.3
69.03432	22.1
72.86868	0.8
73.02917	2.1
81.03418	1.4
85.02903	17.0
87.04478	16.9
88.88837	0.8
91.05462	1.2
97.02895	22.1
115.03925	21.0
123.04426	100.0
125.82329	1.0
127.03937	2.1
131.04909	1.3
133.04956	14.5
137.05971	8.0
145.04976	1.8
147.04376	1.1
147.08046	1.1
161.05969	1.5
163.07564	1.3
165.05461	4.2
165.09097	43.9
171.08081	1.4
177.05498	2.0
177.09077	4.6
183.10153	9.5
189.05415	1.6
189.09125	6.9
201.05559	1.1
201.09084	1.0
207.10150	4.2
213.09094	1.7
215.10699	1.1
219.06586	1.5
225.11246	3.6
231.10196	5.2
243.10176	1.7
249.11293	1.2
259.08228	0.9
261.11356	7.2
279.12271	5.1
291.59167	1.0
295.10443	3.2
297.13309	1.1
345.15411	4.4
403.63806	1.1
494.22971	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	494.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.03443	6.3
59.50406	0.7
61.02938	1.4
69.03426	5.2
73.02918	16.3
81.03407	1.2
82.55739	0.7
85.02911	11.3
86.51236	0.7
87.43287	0.7
90.52967	0.8
97.02897	11.7
104.18123	0.8
115.03935	6.8
123.04424	100.0
124.24297	0.8
127.03918	3.3
130.07304	0.8
133.04915	1.2
133.06467	1.0
137.05975	4.6
145.04906	1.3
153.14105	0.8
163.07487	0.7
164.61809	0.8
165.09106	36.0
177.09082	1.5
183.10239	5.6
186.81429	0.9
189.09004	1.0
203.84422	0.8
207.10062	1.0
225.11354	1.1
261.11200	3.6
279.12372	1.3
295.10138	3.4
330.17056	0.8
345.15329	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	494.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05505	1.1
66.46292	1.0
67.05497	1.5
69.03419	7.1
69.07086	1.2
76.55981	1.0
78.03455	2.2
81.03419	10.3
81.07055	5.7
83.04935	1.4
84.15023	0.9
85.02898	2.6
85.06530	5.6
85.91175	1.0
92.43371	1.0
93.07035	4.7
95.04942	1.3
95.08591	1.8
97.02871	5.5
97.06520	1.8
101.57607	1.1
105.07024	9.2
106.02913	51.9
107.08606	9.2
109.02866	10.1
109.06540	2.7
109.10162	5.5
109.83757	1.2
119.08579	15.5
121.10155	12.7
124.03946	100.0
127.03921	5.4
131.08528	9.7
133.10135	23.7
135.07974	1.1
135.11583	1.8
135.68214	1.2
137.05991	4.4
137.09598	2.8
145.10156	1.5
147.11722	2.0
149.09566	4.6
149.13249	5.4
151.11186	13.2
153.09067	1.1
161.13260	13.2
163.14891	2.2
173.13214	12.7
178.02010	1.1
179.14284	2.6
190.40532	1.2
191.14227	8.3
209.15344	4.9
238.13106	1.5
250.07089	5.7
256.14209	1.4
268.08139	46.4
280.22287	1.2
286.09247	12.6
315.15805	2.0
316.16241	7.9
332.08435	6.6
476.22879	8.5
493.34790	1.3
494.23886	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63823	0.9
53.03959	1.2
57.13002	0.9
67.05492	1.5
69.03418	5.6
71.04988	1.6
75.27471	0.9
78.03448	2.6
81.03425	11.6
81.07059	5.0
85.02891	4.9
85.06543	17.2
91.05521	1.2
92.18501	1.1
93.07027	5.2
95.04949	7.8
95.08583	2.2
97.02875	1.7
99.04443	13.1
103.24584	1.0
105.07015	12.3
106.02915	30.3
107.08583	2.3
109.02866	9.4
109.06526	1.6
109.10162	5.7
111.08076	1.8
119.08566	16.1
121.10141	11.4
124.03944	100.0
127.03900	4.5
131.08568	12.6
133.10121	42.4
135.08032	1.5
139.90779	1.3
145.10138	2.7
147.11740	2.6
151.11157	30.0
153.09109	6.6
161.13242	15.4
162.73402	1.1
163.14748	1.9
173.13232	20.6
179.14307	1.6
182.85519	1.2
191.14304	14.1
209.15361	24.6
250.07164	5.1
268.08133	98.6
286.09192	6.0
330.74808	1.4
365.88632	1.2
413.25879	1.4
476.22842	10.1
494.23917	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05510	1.1
56.07708	0.8
57.03438	4.9
60.04523	1.8
61.02909	5.4
63.34900	1.3
64.50087	0.9
65.15660	1.0
67.05496	4.9
69.03426	16.0
69.07050	2.4
71.04985	1.9
73.02884	1.1
76.04308	1.0
77.03942	1.1
79.05495	19.5
81.03420	4.5
81.07046	2.4
85.02904	100.0
87.04424	2.3
91.03941	2.1
91.05473	10.7
93.07040	72.0
95.04955	5.5
97.02880	20.6
97.06510	1.2
99.04439	2.6
105.07045	5.2
107.04956	1.4
107.08589	89.8
109.02866	10.4
109.06497	1.5
114.01792	1.2
114.77851	1.2
119.08544	1.9
127.03924	25.6
127.04852	1.9
135.10648	2.2
135.11685	64.8
145.04932	26.5
153.12721	5.8
159.11630	1.4
159.72318	1.2
163.06046	10.6
325.11392	5.5
494.33649	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03435	1.5
61.02921	4.5
69.03426	10.3
69.07055	0.9
71.05005	1.2
73.02923	1.1
74.34559	0.7
77.03909	1.0
77.93481	0.7
79.05486	16.3
81.03408	3.0
81.07053	1.0
85.02904	78.1
87.04459	1.1
91.03949	4.4
91.05471	8.5
93.07040	100.0
95.04942	3.8
97.02890	16.7
99.04453	4.2
105.07008	1.1
107.08587	26.3
109.02889	7.2
109.10155	1.5
115.03979	0.7
119.08566	1.0
127.03912	19.0
133.10135	0.8
135.11687	53.0
137.05949	4.9
138.06325	1.5
145.04951	20.9
153.12807	1.6
163.05981	11.2
163.07266	1.2
181.53786	0.7
261.14911	0.8
279.15869	2.7
288.13354	0.7
289.09259	0.8
289.91934	0.7
297.16864	2.5
319.97726	0.8
325.11215	10.7
466.05054	0.8
494.25552	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	494.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94206	4.1
81.07037	5.3
93.07049	5.9
95.04948	10.2
95.08638	5.7
97.95451	4.3
105.03367	16.7
105.07034	5.5
107.08624	5.0
119.08591	11.4
131.08517	9.4
133.10144	9.1
143.08554	18.1
145.10109	24.1
146.69164	4.8
155.08514	5.5
157.10124	20.1
159.11644	9.4
169.10147	20.3
171.11638	7.1
173.09575	6.2
173.28716	4.8
175.11182	6.3
181.10129	7.0
183.11790	5.6
185.09599	4.7
195.11691	22.2
196.30453	4.6
197.13318	6.2
199.11249	7.0
209.13231	9.0
211.14818	19.6
221.13281	8.0
223.14832	5.9
236.15807	5.3
237.12759	6.3
239.14337	9.7
251.17888	18.6
267.17529	4.7
269.19019	11.0
279.17477	10.9
297.18488	100.0
315.19547	56.5
357.03073	5.1
417.22580	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50679	4.5
63.54055	5.0
63.67869	5.1
67.05491	7.3
69.07095	7.2
74.62667	5.2
76.60889	6.6
77.84374	5.1
79.05495	6.3
81.07063	9.2
81.73994	5.3
83.04971	14.0
93.07035	12.3
95.04960	10.4
95.08601	10.2
98.88801	6.2
105.03368	8.7
105.07024	25.1
107.08572	50.8
109.06512	6.9
119.08556	48.2
121.10121	13.8
123.08077	11.8
125.09635	78.8
129.07022	5.6
131.08553	11.4
133.10136	27.8
135.08054	100.0
143.08528	32.7
145.10118	25.8
147.07962	6.7
157.10178	20.8
161.09607	24.7
163.11192	9.3
169.10124	12.0
170.75381	6.2
171.11694	11.1
173.09650	40.9
175.11266	7.1
175.72005	6.2
177.08914	8.1
181.10106	30.4
183.11635	8.6
185.09688	7.4
185.13255	13.5
187.11249	8.2
191.10501	7.1
195.11673	33.1
197.09732	6.2
197.13272	29.5
199.11227	45.0
201.12735	11.9
205.10342	6.6
206.10851	9.3
209.13260	14.6
211.11305	7.1
211.14857	8.7
213.12802	14.7
214.13383	10.7
215.14265	6.9
220.12593	30.4
221.13255	32.9
231.13777	39.6
235.14813	25.4
237.16402	33.3
239.14310	24.9
253.15800	7.9
255.17447	41.6
269.19104	8.7
270.97263	6.1
279.17407	38.6
297.18478	83.5
299.16281	9.6
315.19595	40.7
339.19592	31.4
357.20599	62.7
375.21545	11.8
417.22647	36.2
449.38171	6.2
464.68274	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	494.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66010	0.8
62.81444	0.9
79.05485	6.6
95.08556	1.5
107.04954	100.0
118.76373	1.0
120.08112	7.7
149.05978	24.9
149.24736	1.1
160.25072	1.0
180.10182	96.8
377.88702	1.1
494.28943	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95386	0.9
56.72268	0.9
60.25827	0.9
60.55736	0.9
74.99686	1.0
79.05489	4.6
79.41740	1.0
92.01907	1.1
105.07051	1.5
107.04958	100.0
119.08560	1.5
120.08091	6.9
149.05986	21.1
180.10188	88.8
194.11725	2.5
230.54382	1.1
408.65533	1.1
413.32529	1.2
494.28937	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29902	0.9
56.85043	0.8
63.98770	0.8
77.15027	0.8
79.05466	4.0
91.05495	1.2
105.07012	1.3
107.04954	85.5
119.08541	1.7
120.08086	9.3
121.10159	1.2
133.10135	1.5
138.78793	0.9
143.08559	1.6
149.05974	25.7
157.10133	1.6
180.10184	56.5
194.11777	3.7
296.17453	1.0
297.18472	1.2
305.39365	1.0
494.28989	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	494.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68718	0.7
53.06524	0.7
57.16308	0.8
57.31096	0.9
63.04947	0.8
65.58538	0.9
67.11629	0.8
79.05475	5.8
107.04953	99.9
120.08100	7.4
143.08551	1.4
149.05971	28.4
157.10103	3.8
165.64482	1.1
180.10188	58.6
194.11765	1.8
297.18488	2.1
298.04404	1.0
418.60349	1.0
466.21884	1.0
494.28955	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	494.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82672	0.8
60.33964	0.9
74.43376	0.9
79.05498	2.1
89.09446	0.8
100.30936	0.8
105.07059	1.6
107.04955	84.7
109.02279	1.0
119.08590	1.9
120.08100	8.1
142.40843	0.9
143.08577	1.6
143.98824	0.9
145.10019	1.0
149.05978	25.2
157.10092	3.5
171.11636	1.1
180.10168	53.6
185.13216	1.0
195.11650	1.1
215.06702	1.1
255.17355	1.2
388.36810	1.0
494.28976	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	494.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86349	0.8
69.35172	0.7
74.13971	0.8
79.05490	2.2
95.08619	0.9
105.03398	1.6
105.90762	1.0
107.04952	82.9
107.08540	1.0
119.08552	3.9
120.08105	11.3
121.10168	1.3
131.05040	0.9
133.10123	1.4
143.08565	1.0
145.10112	1.6
149.05969	25.2
157.10149	5.8
159.11719	1.1
171.11665	1.9
180.10185	47.4
209.13234	1.1
212.11975	0.9
228.30180	0.9
237.12726	0.9
238.13016	1.2
264.80859	1.1
297.18536	1.4
494.28995	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	494.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.6
61.16397	0.6
66.78162	0.7
67.05508	0.8
67.41634	0.7
79.05483	6.5
81.07069	1.2
91.05463	7.9
93.07047	1.6
95.08607	1.5
105.07020	3.0
107.04950	100.0
107.08572	1.4
109.10156	0.8
119.08586	3.1
120.08099	10.7
121.10140	1.8
126.68668	0.8
131.05038	0.7
131.08560	1.3
133.10136	1.6
137.05974	1.3
143.08514	0.9
145.10149	1.1
145.28116	0.8
149.05980	23.0
157.10144	1.0
163.07564	1.2
167.08665	0.8
171.11861	0.8
173.09691	1.0
180.10182	91.9
183.11555	0.8
196.09714	6.4
197.13051	1.2
211.14845	0.9
239.14555	0.9
297.18481	1.4
315.19742	2.9
494.29044	35.7
494.35342	2.6
508.77859	0.8
517.70386	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	494.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48545	0.5
79.05497	6.4
81.07037	2.1
88.55942	0.6
91.05480	8.3
93.07022	2.8
95.04965	0.7
95.08607	2.5
105.07052	3.7
106.07464	0.5
107.04952	100.0
107.08595	2.8
109.04772	0.5
109.10173	1.2
111.08026	0.7
119.04964	1.0
119.08595	2.9
120.08098	13.9
120.08895	0.9
121.06551	0.7
121.10130	2.1
123.11714	0.9
124.64815	0.5
129.71411	0.5
131.04955	1.1
131.08554	0.9
132.77432	0.6
133.10127	2.6
135.11694	1.1
137.05988	2.0
143.08594	1.2
145.10147	2.1
147.08130	0.6
147.11679	0.6
149.05984	20.4
155.08539	0.8
157.10106	1.0
157.23605	0.5
159.08078	0.6
159.11736	0.7
163.07533	2.1
169.10127	0.8
171.11620	0.8
173.13191	0.6
177.09128	0.6
180.10185	89.5
181.10144	0.8
185.13298	0.6
195.11597	0.6
196.09705	7.3
199.77148	0.6
209.13257	0.7
211.14825	0.6
213.16556	0.7
239.14214	0.7
297.18570	1.1
315.19717	1.1
494.29108	34.8
494.35208	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	494.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61501	3.1
55.05511	15.5
56.76162	3.1
57.01259	2.9
58.05722	2.9
59.74898	3.6
67.05490	18.5
69.07050	4.1
71.04960	4.2
77.73528	3.6
78.30255	2.9
79.05489	18.5
81.07055	20.1
81.71668	3.8
83.08613	14.3
91.05459	13.9
93.07025	15.4
97.10183	30.7
103.05451	5.1
105.07040	7.9
107.08576	7.3
109.10149	3.7
112.78690	3.8
117.07018	25.2
119.08575	5.2
125.09636	28.3
129.07040	6.6
131.08565	17.9
141.06964	6.5
155.08655	4.5
158.66277	4.1
169.09952	5.6
187.14819	7.1
197.13229	7.1
215.14354	19.9
227.12764	19.2
266.26160	4.3
267.36990	3.6
349.21487	3.7
385.23679	7.1
441.26315	45.5
459.27383	100.0
476.31009	6.0
477.28412	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.3
69.07050	2.6
72.72965	2.9
78.35899	2.7
78.78244	2.7
80.80443	2.5
81.07040	20.5
91.05478	15.5
92.18578	6.1
93.07020	26.2
95.04958	4.3
95.08619	25.0
105.03460	2.9
105.07029	24.2
107.08582	28.5
109.10142	16.0
117.06996	13.0
119.08569	47.3
121.10136	12.9
123.11720	5.6
131.08568	11.7
133.06528	3.4
133.10135	83.8
135.08057	100.0
135.11688	6.2
137.09601	5.2
143.08536	12.7
145.06529	4.2
145.10117	66.7
147.08046	3.3
147.11693	16.1
149.09587	4.5
155.08467	5.5
157.10146	17.8
159.11707	19.0
161.09618	13.3
163.11188	25.0
167.08551	2.9
169.10121	14.9
171.11726	21.3
173.13255	5.7
179.10626	4.2
181.10091	6.3
183.11676	14.2
185.13264	5.5
189.12651	3.9
195.11722	16.7
197.13258	5.6
203.97952	2.8
208.12547	3.1
209.13225	31.6
211.14870	4.8
213.16435	3.5
223.14719	22.3
237.16377	4.7
251.50786	2.9
265.19510	87.3
283.20593	38.0
325.21719	4.7
358.67245	3.3
375.25351	11.3
385.23700	17.5
494.31012	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	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.33473	0.8
55.99967	0.8
57.32366	0.9
58.43912	0.8
59.33568	0.8
60.08162	12.0
62.31628	0.9
69.07069	1.2
81.07053	1.0
85.65479	0.9
86.06091	1.1
86.09189	1.7
86.09704	42.0
93.07016	1.1
95.08604	1.2
97.10120	1.3
104.10739	84.5
120.36301	1.0
124.99992	15.6
133.10196	1.1
184.07323	100.0
221.30812	1.0
311.25992	1.6
341.11447	1.1
476.31094	6.8
494.32349	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
60.08163	5.3
65.60551	0.4
67.05486	1.2
73.08823	0.4
75.38756	0.4
77.29771	0.5
79.05492	0.8
81.07043	0.9
83.08607	1.1
86.09193	0.8
86.09706	19.6
95.08599	0.7
97.10162	2.1
98.98466	0.8
104.10737	1.2
109.10188	0.5
117.06993	1.1
125.00005	10.6
125.09608	1.9
162.25067	0.5
169.08379	0.5
169.09969	0.6
184.07332	100.0
193.80849	0.5
200.20120	1.0
215.14389	0.8
409.36551	0.6
441.26178	1.2
453.16156	0.6
459.27405	4.5
476.30984	0.7
477.28601	0.9
494.32440	12.2
494.38834	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	494.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17397	0.6
70.08389	0.9
77.77719	1.0
79.05484	4.3
88.18842	0.9
92.18552	1.0
95.04932	0.8
105.03404	7.9
105.07001	0.9
106.03737	1.9
107.04956	87.4
119.08501	2.5
121.29269	0.9
133.10123	1.1
134.09657	4.0
149.05965	20.0
157.10226	0.9
181.71907	0.9
185.13184	0.9
194.11755	80.4
265.29056	1.0
356.98599	0.9
494.32635	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	494.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45702	1.1
61.98075	0.9
70.74419	1.0
72.80867	0.9
79.05479	5.3
93.24325	1.3
105.07039	1.6
107.04956	100.0
107.38554	1.0
134.09692	2.5
149.05983	20.6
161.35786	1.1
176.10477	0.9
194.11763	96.7
205.86555	1.0
244.99025	1.1
494.32611	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65360	1.1
79.05494	2.8
93.84480	1.3
99.97179	1.2
107.04952	93.2
134.09619	1.6
149.05960	20.9
166.25424	1.2
189.94180	1.3
192.37383	1.4
194.11757	100.0
221.02119	1.2
441.08167	1.3
488.29495	1.3
494.32605	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72305	0.8
75.13987	0.7
79.05492	5.4
107.04954	94.3
115.51500	1.0
121.08223	0.9
128.23309	0.8
130.93407	0.9
149.05962	20.9
157.09985	0.9
194.11761	100.0
391.00885	1.0
494.32666	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	494.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00180	0.5
54.67548	0.5
56.06594	0.5
56.70677	0.5
63.57920	0.6
69.72079	0.6
79.05477	4.6
82.67358	0.6
90.14626	0.6
90.75450	0.6
93.07054	0.7
96.71204	0.7
105.07029	0.7
105.43563	0.7
107.04953	87.4
119.08548	1.1
134.09695	6.5
140.23520	0.7
145.10179	0.9
147.11668	0.7
149.05968	25.0
161.09581	0.8
162.07634	0.7
167.00566	0.6
173.13261	1.0
183.11810	0.7
185.13272	1.1
194.11757	89.6
222.64140	0.6
247.26978	0.7
319.08844	0.6
455.30484	0.8
494.32587	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	494.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38279	0.7
58.51215	0.7
58.83123	0.6
60.07674	0.6
62.01380	0.7
74.35786	0.7
79.05481	4.3
92.17866	1.3
95.60689	0.7
104.97977	0.7
105.07016	1.1
105.68604	0.7
107.04951	97.7
122.62115	0.8
134.09650	3.7
149.05972	19.3
194.11757	100.0
210.66182	0.7
301.12350	0.8
314.78616	0.8
364.62656	0.8
494.32666	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1134
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
57.03426	0.5
57.89819	0.5
61.02908	0.8
69.03412	2.9
77.62209	0.4
81.03405	1.9
85.02445	0.7
85.02907	9.3
97.02872	3.2
97.49823	0.5
109.02834	0.6
127.03943	0.6
135.11676	0.7
139.03879	2.7
142.78462	0.5
145.04916	0.6
153.01787	3.4
165.01805	0.8
167.03374	0.9
178.05077	0.5
193.04936	0.5
217.04662	0.6
245.04439	1.0
273.03891	2.7
277.07053	2.0
284.15909	0.5
287.05606	0.9
297.18417	0.5
301.03333	4.5
304.05722	0.7
318.03665	8.2
333.06012	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	495.1133
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.34594	0.2
51.87516	0.2
53.03966	0.3
53.12769	0.3
57.03436	0.4
61.02919	1.4
69.03426	2.9
71.05013	0.3
73.02934	0.5
78.77700	0.3
81.03395	1.5
83.01353	0.3
85.02898	9.7
88.52484	0.3
97.02889	2.7
99.04459	0.5
109.02888	0.7
109.06544	0.3
127.03897	1.5
139.03923	2.5
139.80899	0.4
145.04868	0.4
153.01834	2.3
159.11638	0.4
161.98003	0.4
165.01852	1.5
167.03389	1.4
175.98677	0.4
193.04942	0.6
209.13148	0.4
210.00636	0.3
232.83115	0.4
245.04402	1.8
254.92813	0.3
259.05997	0.6
273.03964	2.6
277.07056	1.8
284.64511	0.3
287.05484	0.5
290.04160	0.3
301.03351	3.9
304.05792	0.6
315.05099	0.4
315.19528	1.3
318.00131	0.5
318.03693	9.5
333.06015	100.0
345.06244	0.3
398.25214	0.3
495.18423	0.4
495.26019	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	495.1135
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.05336	0.2
57.03434	0.3
61.02908	1.4
67.12856	0.3
69.03425	2.3
73.02905	0.3
81.03412	0.7
85.02908	7.8
86.02602	0.3
91.03910	0.4
93.06988	0.3
97.02900	3.0
100.98153	0.3
109.02831	0.4
122.03747	0.3
125.02338	0.6
127.03913	1.7
137.05969	28.0
137.24471	0.3
138.06281	1.5
145.04942	0.4
151.03851	0.3
151.07596	0.6
153.01793	1.7
163.07497	0.4
165.01859	0.4
167.03427	2.3
175.07552	0.5
179.03424	1.8
181.08575	1.9
259.05975	3.0
277.07108	0.4
279.05588	0.3
287.05508	3.2
289.13400	0.3
304.05737	1.6
315.04871	0.5
333.06012	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	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
57.03429	0.6
66.35349	0.5
66.56313	0.5
66.61515	0.6
79.22444	0.5
81.03421	0.6
81.07040	0.7
83.08595	1.2
85.02905	2.9
93.07056	1.2
95.04957	2.4
95.08598	3.3
97.02883	0.6
103.03996	0.5
105.03368	4.0
105.07053	0.7
107.08575	1.2
109.06486	0.9
109.10168	0.7
111.08054	0.9
119.08614	0.6
121.10143	1.2
123.08066	0.8
131.08647	0.6
133.10149	0.6
133.43321	0.6
135.08017	0.6
137.05972	2.3
143.08577	0.6
145.10114	3.2
147.08032	0.7
151.03909	0.8
157.10112	0.8
159.11633	1.0
161.09563	0.9
173.05920	0.8
173.09596	0.8
179.14378	1.3
185.13260	0.6
185.91360	0.5
186.06485	0.6
187.11258	1.0
193.08554	0.7
201.12994	0.7
285.18796	1.1
297.18576	2.5
315.19550	2.3
329.21042	0.8
331.10013	1.4
333.20816	2.3
349.12418	5.2
371.22217	3.5
441.29825	1.0
459.31036	3.8
495.18307	100.0
495.32578	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	495.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50064	2.3
53.48978	2.1
55.05497	2.6
64.36359	2.2
67.05517	2.1
69.03431	3.1
79.63966	2.3
81.03439	3.9
83.05006	2.6
91.05492	3.8
93.07072	2.9
95.04955	10.3
105.03397	75.3
105.07026	12.0
109.10139	3.9
119.08559	3.7
131.08510	2.5
132.04533	2.4
133.06561	9.3
141.07002	4.6
142.07800	2.8
143.08568	6.0
153.07031	4.9
155.08534	65.6
156.09346	9.5
157.10127	10.1
165.07004	14.9
166.07773	4.4
167.08525	14.5
168.09308	16.0
169.10104	25.9
179.08501	5.3
180.09352	5.6
181.10092	22.2
181.61639	2.6
182.10881	41.7
183.08025	5.7
183.11664	12.6
183.82884	3.1
185.09586	5.4
191.08592	3.8
192.09340	33.1
195.08040	4.0
195.11678	26.1
197.13257	100.0
207.11678	30.8
209.09579	3.5
210.10435	4.4
211.11218	3.9
223.11136	4.6
225.12738	61.9
235.11305	4.5
253.12219	74.0
477.35123	2.4
481.14191	2.3
485.80771	2.6
512.59320	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	495.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00300	1.5
55.35263	1.6
79.89289	1.6
79.90756	2.2
86.73837	1.9
95.04975	9.5
105.03397	100.0
105.07044	3.0
117.06983	2.4
120.33514	1.9
128.06209	2.4
131.08549	2.9
135.08057	7.4
136.08397	3.1
141.06966	2.2
143.08563	11.0
145.06487	9.4
154.07693	2.4
155.08582	22.5
157.10191	2.7
157.85339	2.5
159.08102	6.9
165.06949	3.7
166.07759	2.1
167.08565	2.3
168.09360	4.3
169.10101	15.7
171.08003	10.5
173.09676	3.0
175.07584	2.8
179.08557	2.3
180.09334	2.9
181.10106	17.5
182.10895	4.6
183.08093	2.2
183.11720	27.6
185.09593	7.7
192.09334	8.3
195.11705	10.7
196.08887	3.9
197.09644	8.3
197.13268	24.8
199.11169	25.6
207.11679	15.9
209.09615	7.8
210.10423	10.7
211.11148	22.7
213.12613	2.9
220.08879	3.3
223.11243	4.6
225.12718	39.9
227.10686	7.3
235.11217	11.5
238.09964	2.0
241.12148	2.3
249.36429	2.2
253.12202	47.5
271.13251	14.7
313.14325	14.8
334.61176	2.1
377.58325	2.1
475.85898	2.0
478.91406	2.2
495.19614	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	495.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
66.06657	1.0
68.25299	0.9
69.03417	1.1
69.37632	0.9
92.17881	2.4
95.04993	9.1
99.91589	1.0
105.03394	100.0
105.04517	4.5
105.07024	7.0
106.03704	1.6
111.82365	1.1
114.73183	1.0
117.12478	1.0
127.30589	1.0
129.06984	1.8
141.06981	1.5
143.08618	1.8
145.06500	1.8
155.08536	16.5
156.09363	1.6
157.10033	1.1
159.07909	1.3
165.07024	1.1
167.08566	1.1
168.09355	6.1
169.10130	11.0
179.08504	1.5
180.09396	1.6
181.10129	10.0
181.93365	1.2
182.10966	7.4
183.08168	2.0
183.11681	21.9
192.09308	6.6
193.09982	1.4
195.08070	2.3
195.11696	6.9
196.08948	2.4
197.09653	1.8
197.13248	27.3
199.11174	1.4
207.11687	14.4
207.13278	1.3
209.09645	4.5
210.10405	6.7
211.11195	5.0
216.60242	1.1
220.08765	5.1
223.11140	2.4
225.12746	26.7
227.10829	1.1
235.11206	9.8
253.12227	33.0
271.13202	1.3
313.14423	4.3
375.15836	1.9
417.38123	1.2
435.17618	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	495.2376
Annotation	Malayenolide B
Peak:m/z	Relative Intensity
67.05502	1.9
69.03430	1.8
69.07053	1.9
69.41535	1.0
73.22632	1.1
76.53954	1.2
77.03935	1.4
79.05503	2.4
81.03415	1.8
81.07051	4.6
85.02897	5.4
91.05425	2.2
92.17922	1.6
93.07034	6.0
95.04949	7.5
95.08593	2.8
102.64681	1.3
105.03391	100.0
105.07033	7.6
107.04954	1.5
107.08588	8.5
108.08898	1.7
109.10188	1.8
117.07014	1.6
119.08555	6.8
119.63158	1.2
121.06480	2.0
121.10098	2.1
123.16096	1.2
131.08537	2.5
133.06454	2.7
133.10103	2.4
134.38116	1.3
135.08066	5.7
135.11705	1.7
136.12047	2.0
137.09515	1.5
143.08563	3.1
145.10124	2.3
147.08054	2.3
149.09624	1.5
151.07494	1.8
155.08542	2.8
157.10097	6.0
159.07997	5.7
159.11580	1.7
161.09550	1.8
163.11041	1.3
165.09116	1.6
167.08562	1.3
169.10095	8.1
169.96333	1.3
171.11667	2.6
173.09590	2.2
175.10982	1.3
175.72102	1.4
177.09045	1.7
183.11679	5.8
185.09575	2.0
185.13261	2.0
187.11124	2.1
189.09123	1.3
193.10213	2.8
194.10962	1.5
197.09590	1.9
197.13345	1.6
199.11162	2.6
207.11702	4.8
209.09676	1.7
209.13268	5.3
211.11194	11.9
211.14865	2.0
220.12602	1.6
223.11104	1.6
225.12685	5.2
227.10623	2.8
227.14349	1.6
234.13994	1.4
237.12662	2.7
243.13728	2.0
249.16301	2.6
251.14262	3.0
253.12354	1.7
253.15863	2.6
255.13831	1.7
261.93573	1.6
267.17456	7.1
277.15833	5.5
295.16809	12.3
297.18329	1.3
313.17944	13.8
331.18982	1.5
331.93665	1.4
373.20438	1.4
435.21826	9.4
495.23901	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	495.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09650	1.8
56.00589	2.0
57.03429	4.4
57.07077	3.0
59.04999	4.9
59.69916	1.9
61.02928	4.7
67.05495	5.2
69.03428	24.6
69.07069	3.4
71.04969	3.7
73.02896	3.6
77.09383	1.8
79.05509	2.1
81.03414	10.6
81.07030	3.1
81.39469	2.2
83.08624	2.6
85.02904	100.0
85.06521	8.9
87.04449	4.1
91.03951	3.7
93.07034	4.1
95.08604	47.0
97.02897	36.9
97.06494	3.5
99.08082	8.0
107.08589	3.3
109.02879	12.7
109.06493	12.3
109.10165	14.2
111.08057	2.6
113.09639	46.6
115.03893	2.6
121.10150	3.1
123.04405	3.9
123.55164	2.4
127.03902	21.6
127.11185	15.4
133.04956	4.2
135.11674	12.9
137.05959	4.9
139.03870	3.0
145.04935	20.0
146.97977	2.5
153.05382	2.3
153.12744	42.4
154.04904	3.5
155.14299	10.0
163.06007	2.6
165.51126	2.3
166.09467	2.6
169.10118	2.6
171.13776	40.3
179.05496	8.7
182.63602	2.2
197.12816	3.5
213.14861	14.8
221.35284	2.1
266.40988	2.6
299.10312	2.0
315.13583	3.4
315.19452	3.3
333.19305	11.0
349.18930	2.0
395.98273	2.6
408.34427	2.7
495.19037	5.1
495.24866	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24502	9.6
57.07076	13.4
60.22440	9.1
62.68880	10.1
64.82977	9.6
65.09196	8.0
66.84227	8.6
75.36105	10.9
79.05494	37.9
79.14520	9.6
81.07047	22.9
90.55254	9.4
91.05479	24.8
93.07034	49.8
95.08578	20.0
105.06384	13.0
105.07001	100.0
107.08584	80.1
108.76343	9.9
109.06522	18.7
109.10197	16.7
119.08576	20.9
121.10124	65.0
123.08105	15.7
123.11713	15.8
128.93671	8.5
131.08572	40.4
133.06490	15.8
133.10132	56.8
135.08049	19.1
135.11633	20.3
137.05940	17.4
137.09567	11.5
143.08562	47.0
145.06438	10.5
145.10109	20.4
147.08058	14.8
149.09593	12.9
151.07532	11.1
155.08482	16.2
157.10149	53.4
159.08014	14.3
167.74240	10.5
169.10153	22.3
171.11644	21.8
175.11230	14.0
181.10085	20.0
183.11699	39.8
185.09584	13.8
193.10071	12.0
195.11678	20.6
197.13072	9.9
199.11253	14.9
209.13286	18.4
211.11337	17.4
251.18234	12.0
269.18988	15.8
279.17410	20.1
297.18472	89.9
315.19470	22.9
357.20819	35.2
375.21628	42.5
435.23254	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	495.2589
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
50.35764	5.5
57.07074	8.0
58.16187	6.1
69.03393	6.5
71.69459	6.4
79.05502	14.5
81.07059	15.3
83.08625	11.2
91.05489	12.7
93.07037	31.7
95.04969	12.2
95.08601	9.7
98.93456	6.0
103.65297	6.2
105.07022	35.4
107.08594	36.1
109.10183	9.9
117.07017	8.5
119.08566	47.4
121.10133	44.7
123.08098	8.9
123.11710	40.2
124.09917	6.9
129.07040	8.5
131.08536	26.6
133.06509	15.6
133.10123	34.9
135.08031	16.5
135.11642	10.1
137.09595	11.5
143.08490	7.7
145.06552	8.5
145.10114	12.2
147.08023	28.3
147.11676	9.3
149.09642	14.8
151.07533	12.2
155.08496	29.4
157.10130	11.8
159.08083	9.8
161.09714	9.5
163.11156	10.5
165.09114	11.4
169.10150	27.7
173.09631	7.5
173.13249	9.6
175.11157	7.3
177.09073	9.3
181.10144	13.9
183.11688	15.6
185.09599	16.0
191.10684	6.2
195.11693	28.1
197.13171	8.1
209.13318	10.7
211.14830	8.2
213.12740	10.1
217.12212	7.9
223.11285	10.3
225.13016	7.3
237.16383	12.7
241.12247	10.6
241.19507	7.4
251.17903	15.5
253.15976	9.6
269.19000	30.8
279.17456	37.4
285.18484	7.3
297.18484	88.5
315.19431	49.8
357.20596	41.3
375.21780	8.7
403.18591	9.2
417.22580	24.4
421.19479	15.8
495.19492	32.6
495.25827	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	495.259
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
55.05521	7.8
57.07066	10.3
58.18060	6.4
64.37644	6.2
65.69478	5.0
65.96422	5.6
67.05501	10.7
68.75102	5.3
69.07059	11.4
79.05482	31.2
81.03432	6.1
81.07054	27.7
83.08589	8.3
84.94584	5.9
91.05480	25.5
93.07030	35.6
95.04951	28.6
95.08601	40.0
95.55733	5.4
105.03419	9.2
105.07013	69.6
107.04944	26.5
107.08587	48.6
109.06493	13.1
109.10157	30.2
115.05385	5.9
117.07014	9.5
119.08570	59.2
121.06495	28.1
121.10131	58.0
123.08038	24.8
123.11711	13.5
129.07079	7.4
131.08589	49.7
133.06499	12.4
133.10109	100.0
135.08052	23.6
135.11703	8.2
143.08588	32.5
145.06396	6.6
145.10149	50.8
147.08052	25.8
147.11673	27.7
149.09599	26.8
151.07544	26.5
155.08560	31.8
157.10126	41.3
159.08035	14.5
159.11676	27.6
161.09605	12.4
167.08580	9.7
169.10104	27.5
171.07994	11.3
171.11662	40.0
173.09628	14.3
173.13274	38.8
177.09120	7.5
179.08577	11.1
181.10136	22.5
182.10994	7.8
183.11703	37.0
185.09589	7.4
185.13284	26.5
187.11234	9.9
193.10110	15.3
194.10895	9.9
195.11705	38.9
196.12704	6.4
197.09688	7.4
197.13312	42.5
199.11250	26.8
201.09331	6.0
202.71756	5.9
203.10651	6.6
207.11752	14.9
208.12473	7.1
209.13319	49.6
211.11227	13.7
211.14818	25.5
213.12650	11.1
215.14253	8.4
220.12503	10.7
221.13361	21.3
223.14801	12.6
225.16360	10.3
231.11780	6.3
234.14003	8.8
235.14651	12.7
236.15504	10.8
237.16374	24.6
239.14194	10.0
241.12314	9.4
246.14049	8.4
249.16576	13.0
251.17926	35.6
253.15895	11.9
255.17412	9.1
261.16467	24.0
267.17429	13.7
269.19049	32.5
279.17538	48.5
285.18402	9.5
297.18509	73.2
315.19461	60.1
357.20636	48.4
375.21768	8.2
396.71555	7.4
511.63589	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	495.3315
Annotation	Makisterone B
Peak:m/z	Relative Intensity
54.31001	1.4
55.05501	3.7
55.23892	1.7
57.14830	1.4
60.25874	2.0
67.05503	7.9
69.07073	3.5
79.05495	1.8
81.07047	2.4
83.08625	21.6
85.44604	1.8
91.05467	2.5
93.07056	14.3
95.04972	34.6
95.08596	38.0
97.06513	2.9
105.03404	3.4
105.07042	3.5
107.08588	14.3
109.06515	4.2
109.10139	3.4
111.08092	19.5
113.09635	8.7
119.08559	3.5
121.06518	2.9
121.10126	20.6
123.08076	9.3
131.08557	11.1
133.10117	4.6
135.08057	3.0
135.11673	2.2
137.06010	4.6
139.11177	8.7
145.10120	33.1
147.08058	2.4
147.11696	3.2
149.09633	2.1
149.13232	2.6
155.08586	3.0
157.12271	2.4
159.08041	3.4
159.11703	14.4
161.09624	2.7
161.13214	7.9
162.60214	1.8
169.10092	1.9
173.09586	12.3
173.13197	18.3
174.82919	1.9
175.11191	3.7
179.14311	36.7
189.09125	2.1
191.10686	3.8
191.14351	4.1
201.12793	4.0
205.12344	2.5
213.12744	4.4
215.14288	2.2
219.13762	17.2
223.14824	2.4
226.70792	2.3
229.12215	2.0
231.13837	2.8
233.15739	2.0
233.22806	1.8
237.16287	2.6
255.17331	3.0
265.15875	3.4
283.16885	4.3
285.18634	3.3
293.19025	3.9
301.18057	3.2
303.19537	7.3
311.19998	11.4
329.21158	12.6
339.19427	8.6
347.22449	2.5
357.20541	19.9
371.22244	51.0
373.24109	2.5
380.58960	2.3
413.90802	2.3
423.28815	2.4
441.30148	20.0
459.31067	100.0
477.31989	14.3
495.26047	3.6
495.33188	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	496.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63028	0.6
57.03434	1.1
61.02914	2.2
64.55642	0.5
69.03434	4.5
70.06590	1.1
71.04974	0.7
73.02913	1.0
81.03429	1.4
85.02904	32.2
87.04449	0.9
91.03976	1.9
91.05459	3.4
97.02897	10.4
99.04453	1.0
101.02386	0.5
103.03986	0.6
107.63810	0.6
109.02888	4.4
112.07597	3.1
117.31171	0.5
119.04926	2.7
127.03909	8.8
127.53925	0.5
137.05975	100.0
140.06999	0.9
145.04953	11.7
149.05870	0.9
151.07520	1.2
155.07022	9.7
161.05977	0.9
163.06039	2.5
165.05467	1.2
167.07051	0.9
179.07025	4.1
191.07155	0.6
203.07040	3.9
217.08615	0.9
221.08206	1.0
233.08057	1.1
245.08061	1.0
251.09111	0.9
263.09271	4.7
270.08435	2.4
281.10242	4.6
294.76828	0.8
298.07867	3.8
299.11267	2.2
317.12311	8.1
325.11325	3.7
334.09790	0.8
371.11322	0.7
428.33347	0.6
496.14066	1.5
496.26407	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	496.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22451	1.1
57.03429	1.7
60.36829	1.1
61.15892	1.0
73.02901	8.0
85.02917	2.7
97.02885	1.4
102.29422	1.4
123.04464	1.8
131.04916	7.4
135.04329	1.7
135.08057	1.5
137.05968	50.3
147.04384	1.9
149.05960	9.0
151.07533	27.4
157.06450	5.3
161.05916	3.0
161.09596	7.3
163.07520	100.0
175.07530	18.4
189.09113	22.3
207.10168	20.2
225.09172	1.8
241.08693	2.4
249.09052	1.5
253.08453	1.7
253.12186	2.1
271.09680	15.9
273.11212	5.2
281.11786	1.4
299.12753	8.2
317.13812	63.9
327.87384	1.4
331.15427	5.4
333.05923	12.8
334.06369	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02483	4.4
80.00935	4.0
80.84530	4.9
81.07059	5.7
82.38055	4.4
93.07043	10.1
94.35409	5.3
95.04970	26.8
95.08590	7.0
97.06531	23.6
107.04947	8.5
109.06540	7.9
119.08608	5.3
121.06517	7.4
121.10103	7.2
123.08090	53.7
125.09652	5.1
135.08047	30.0
137.09602	26.7
145.06406	5.5
145.10080	10.4
147.08032	7.1
149.09573	9.2
157.10143	5.4
161.09650	7.2
163.11174	8.6
165.09076	9.1
169.10133	9.2
173.09634	26.9
183.11674	7.2
185.09589	6.8
185.13351	6.9
189.09102	8.6
195.11729	8.1
197.09601	10.6
199.11217	10.3
201.09183	6.4
201.12823	5.8
211.11194	11.9
211.14828	22.0
213.12819	33.7
223.11115	8.2
225.12561	5.1
227.14323	29.8
229.15880	11.7
231.13766	10.4
238.13525	6.4
239.14305	37.1
241.12155	17.6
253.15933	40.3
257.15335	30.1
259.13507	6.3
263.14435	7.0
271.16949	58.9
275.16492	7.8
281.15475	36.6
289.17725	16.0
299.16409	100.0
301.14371	28.8
317.17474	39.5
331.18918	8.7
335.18457	11.4
341.17401	38.4
359.18527	62.7
361.16528	20.0
377.19647	38.0
385.22415	5.0
401.19763	6.6
419.20630	57.4
482.65277	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91001	0.7
55.01865	0.9
57.03433	1.8
57.07075	2.0
57.07372	0.7
57.21463	0.9
58.54542	0.7
58.60014	0.9
61.02920	4.3
61.65075	0.7
67.05489	3.6
69.03431	6.8
69.07069	1.9
71.05018	0.9
74.72684	0.8
78.85339	0.8
79.05500	1.1
81.03419	3.3
81.07060	42.2
85.02901	59.1
87.04449	1.0
91.03949	1.5
91.05477	1.3
95.08596	27.1
97.02883	12.1
97.68933	0.8
99.04398	2.7
106.94987	0.8
107.04959	4.4
109.02866	6.0
109.10152	1.4
111.11702	1.7
121.46484	0.9
127.03906	16.8
135.11699	1.1
137.13249	100.0
144.20306	0.8
145.04947	16.9
155.14301	25.8
155.15511	1.2
163.06036	6.8
180.10197	3.4
220.18346	0.9
325.11203	3.6
331.67245	0.9
496.28345	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01875	0.7
56.42947	0.4
57.03434	2.9
57.03690	0.5
61.02937	7.3
69.03433	9.4
71.04998	0.8
71.27105	0.5
73.02915	2.7
78.11037	0.5
79.05573	0.5
81.03409	5.0
81.07059	12.2
85.02907	100.0
87.04463	2.2
90.33465	0.5
91.03970	4.9
92.18529	0.6
93.07060	0.9
95.08593	1.2
97.02892	22.8
98.20334	0.5
99.04443	5.0
103.03992	0.5
107.08612	1.1
109.02876	9.1
110.80397	0.5
115.03944	1.0
127.03914	23.7
135.11697	2.9
137.13254	4.8
139.12894	0.5
145.04956	33.9
163.06007	14.6
243.51978	0.6
258.04813	0.6
317.19595	20.8
317.23181	0.9
325.11221	5.2
340.27536	0.5
375.36627	0.5
408.91391	0.5
439.67395	0.5
455.31946	1.1
496.27567	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	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
61.02916	1.5
67.05496	1.2
69.03439	3.2
71.05014	0.7
71.25343	0.8
73.02912	1.3
79.05485	3.7
79.39785	0.6
81.03410	1.1
81.07064	100.0
83.48219	0.6
83.74976	0.6
85.02906	47.0
91.03963	1.1
92.84118	0.7
95.08602	6.3
97.02901	9.3
99.04462	1.3
109.02905	2.8
127.03912	14.0
131.04909	3.9
137.06009	9.0
137.13257	30.9
138.06342	3.2
145.04965	18.2
147.04375	0.9
149.30388	0.6
163.06021	6.5
163.07559	4.9
317.19440	2.7
325.11295	16.5
333.05960	7.9
334.06381	20.6
334.10135	1.2
401.97983	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	496.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
61.02929	1.4
67.05490	3.4
69.03433	3.0
69.07038	1.7
72.33551	1.5
77.86329	1.3
77.86883	1.4
81.07037	6.5
85.02903	7.4
95.08600	83.7
95.09209	3.7
97.02889	3.6
97.10139	7.3
107.04938	3.1
109.10166	10.3
114.85187	1.4
121.10123	1.9
133.10106	5.8
135.08057	6.7
143.04880	2.0
147.11711	1.5
149.05962	6.4
157.06454	1.4
161.05885	1.9
163.07539	1.7
165.09108	8.6
173.06015	2.9
175.11221	1.6
179.10695	5.9
180.10118	1.6
183.08006	2.0
185.09608	9.3
187.07442	1.9
191.10654	68.1
193.12157	3.3
197.09738	2.6
199.11182	3.1
201.09114	2.5
203.10585	10.7
205.12216	9.0
215.10669	49.4
217.12161	12.3
225.12820	2.3
229.12262	7.6
231.13719	1.9
239.14282	8.7
243.13786	23.1
256.14532	2.3
257.15369	16.6
281.19009	5.9
299.16638	3.5
299.20029	100.0
317.21069	46.5
451.89142	1.7
461.25528	1.7
466.80704	1.5
496.28979	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	496.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51509	4.5
57.15815	3.8
67.05513	6.2
69.07050	9.6
79.05511	5.6
80.89910	4.2
81.07051	7.2
83.04995	6.1
83.08630	4.9
89.38152	4.9
91.05474	8.1
93.07043	21.5
93.69734	4.5
95.08601	20.7
97.06524	10.3
105.07021	27.9
107.08578	24.7
109.06525	7.1
109.10122	11.8
117.07001	5.9
119.08578	63.2
121.10163	20.5
131.08569	23.0
133.10106	11.0
135.08090	10.4
137.09607	53.8
143.08546	33.0
144.64073	4.6
145.10147	35.1
149.09610	43.2
155.08517	20.1
157.10115	40.2
159.11652	11.1
161.09637	5.5
163.11122	5.6
168.97960	5.2
169.10104	19.9
171.11670	33.9
173.09645	8.0
173.13278	11.3
177.55402	4.7
181.10040	16.8
183.11703	29.2
185.13228	8.8
186.13980	4.6
187.11246	8.8
195.11749	17.9
197.09666	6.0
197.13329	22.8
199.11218	11.6
199.76930	5.1
209.13268	6.2
211.14830	30.6
221.13425	5.0
225.12929	5.0
226.98524	6.0
229.15810	5.0
237.16316	11.6
239.14113	5.3
239.17805	6.8
253.16016	5.7
253.19478	25.5
255.17441	64.1
263.17920	5.3
271.20361	6.6
273.18527	5.2
281.19022	75.3
299.20053	100.0
341.21188	7.4
359.21848	8.7
367.47021	5.1
411.98364	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	496.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13852	5.8
58.83987	6.3
63.06285	6.0
63.29203	6.0
79.05506	8.8
81.07054	12.3
91.05450	11.1
93.07043	14.0
95.08607	12.0
105.07021	37.7
107.08578	11.5
109.06519	8.6
109.10162	9.5
119.08560	47.5
121.10114	17.1
123.08051	6.8
125.47955	7.5
131.08556	14.7
133.10101	53.9
135.08067	13.5
135.11694	11.3
143.08549	29.4
145.06500	72.2
145.10133	17.0
147.08046	10.5
147.11655	14.9
149.59561	7.2
155.08461	22.2
156.09253	8.9
157.10101	37.3
159.08060	13.1
159.11649	11.2
163.07555	34.7
167.08530	10.2
169.10135	27.4
171.11667	48.2
173.13252	14.7
183.11696	31.9
185.13329	9.3
193.10176	8.5
197.13228	33.8
206.10849	16.1
207.11684	37.9
209.13229	14.3
211.14769	14.0
220.12457	8.8
221.13220	40.0
223.14627	8.6
225.12723	12.4
233.13216	11.8
234.13911	10.3
237.16438	13.0
239.14388	8.2
248.15575	35.7
253.19414	12.8
263.18002	86.0
267.17365	8.7
279.12357	9.2
281.18970	99.0
299.19913	29.2
327.19470	16.6
341.21124	100.0
401.23349	11.2
419.24161	9.7
461.25241	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13370	3.7
55.05510	3.8
56.19549	4.6
58.36553	4.7
58.67497	4.5
59.05016	4.0
62.50383	4.6
69.07091	8.0
79.05476	5.5
81.07053	9.6
89.36146	4.3
91.05481	9.3
93.07042	28.8
95.08601	23.8
97.06570	6.3
104.46014	4.3
105.07029	28.1
105.43775	5.0
107.04932	5.4
107.08607	19.4
108.17847	4.8
109.06511	5.4
109.10163	23.1
118.24129	4.8
118.66924	4.4
119.08603	35.9
121.10137	23.3
123.08112	7.6
131.08583	21.0
133.10124	64.5
135.08138	7.4
143.08583	28.6
145.10094	22.8
147.08090	6.0
147.11694	6.8
155.08583	21.9
157.10112	37.7
159.08104	7.5
159.11723	10.8
161.09639	5.4
167.08582	5.8
169.10133	23.5
171.11685	56.2
173.09604	11.8
173.13251	21.7
175.11223	5.2
179.08517	10.5
181.10110	32.6
183.11668	39.0
185.09660	8.1
185.13229	26.4
189.12761	11.7
193.10176	10.7
194.10866	7.7
195.11681	27.7
197.13208	35.9
207.11789	35.6
209.13213	21.5
211.11183	9.2
211.14743	10.3
213.16341	5.6
219.11804	5.7
220.12488	7.2
221.13264	50.4
223.14825	28.0
225.12685	10.2
233.13248	21.5
234.14108	6.5
237.16402	10.6
239.17978	12.0
248.15694	30.3
253.19595	17.5
257.18948	5.4
263.17984	69.3
281.19019	100.0
299.20212	33.9
313.93002	5.5
341.21036	95.0
359.22025	11.8
401.23209	27.8
419.24252	32.4
461.25452	51.3
496.28882	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	496.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57696	8.6
54.00311	8.8
55.05505	9.9
57.07088	11.0
57.18159	8.4
69.07060	19.6
81.07058	11.6
83.08630	43.8
91.05464	10.1
93.07056	17.0
105.07013	15.7
107.08555	9.7
119.08565	67.1
122.02801	9.9
122.87277	10.3
131.08563	38.7
133.06415	15.7
133.10138	11.3
137.09636	11.4
143.08527	63.1
145.10143	44.6
147.11705	10.9
157.10138	20.5
165.09047	10.5
169.10078	50.8
171.11667	24.0
173.13373	13.4
174.81114	8.9
179.38795	9.1
183.11658	100.0
183.31905	9.0
185.13251	97.7
187.14819	36.0
195.11691	14.0
225.12700	10.9
281.18900	69.7
299.20081	56.2
341.21161	38.7
431.81296	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	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	7.3
84.37836	0.9
107.04951	100.0
109.10139	1.2
119.08562	4.1
120.08111	10.9
149.05968	25.7
163.11084	1.6
166.07822	1.0
171.11792	1.6
173.02129	1.1
174.55800	1.0
180.10175	78.6
180.85141	1.1
210.63582	1.3
328.46332	1.0
386.98669	0.9
486.65613	1.2
496.30551	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20522	0.8
79.05481	5.3
107.04955	100.0
119.08533	1.7
120.08097	10.4
125.70435	1.0
131.04922	1.1
133.10048	1.1
149.04858	1.8
149.05977	31.6
180.10188	86.0
183.11694	1.1
219.29881	0.9
314.17407	0.9
370.44186	1.0
374.19223	1.4
442.14758	0.9
454.11215	1.1
496.23477	7.6
496.30460	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03695	0.8
79.05488	5.0
81.07039	1.0
85.02886	1.3
95.08588	0.9
105.06995	1.3
107.04951	92.8
119.08574	1.8
120.08085	12.0
149.05963	26.0
170.03038	0.8
179.48407	0.7
180.10178	73.4
496.30536	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	496.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66439	0.7
57.27228	1.1
61.87923	1.0
69.07040	0.9
79.05480	6.9
81.07030	1.2
83.49161	1.0
85.02891	1.6
91.56030	1.0
95.08598	4.1
105.07019	1.3
107.04955	100.0
107.08570	1.2
109.10146	1.1
119.08562	5.0
120.08148	7.2
127.04031	0.9
130.51320	1.0
131.08522	1.2
134.67357	1.2
145.10039	1.4
149.05968	27.0
159.11708	1.8
162.14697	1.0
180.10185	87.5
299.20175	1.7
484.48074	1.1
496.23434	5.7
496.30490	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83175	6.2
91.05462	10.2
93.07046	13.0
95.08585	29.9
102.27264	7.3
105.07035	29.6
107.04955	61.7
107.08588	36.8
108.05311	26.9
109.10152	9.9
113.07279	6.8
119.08562	47.4
121.06507	7.2
121.10136	15.9
123.11721	7.3
124.84652	6.8
125.09957	6.6
125.19753	6.0
130.07819	9.6
131.08563	11.5
133.10120	100.0
135.08022	9.3
143.08553	13.0
145.10141	87.6
147.11647	8.6
157.10139	26.2
159.11678	11.2
163.11185	15.7
171.11688	14.9
173.13301	7.1
187.42075	6.4
194.11853	55.1
195.12056	46.6
196.12331	12.0
197.13258	11.2
209.13228	14.8
223.14781	14.9
227.14116	7.5
265.19498	61.1
283.20480	53.1
301.21564	10.6
343.22549	55.7
371.56616	7.9
496.33063	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
57.07076	1.5
58.06590	0.6
60.08167	11.2
67.05425	0.7
69.05429	0.6
71.07370	2.8
71.08612	1.4
86.09705	37.5
90.69091	0.8
104.10741	81.0
124.99986	14.5
153.39433	0.8
163.01498	0.9
179.25700	0.8
184.07326	100.0
226.06972	0.7
258.11096	0.8
266.04071	0.8
313.27426	1.0
332.77982	0.8
354.97638	0.8
385.76898	0.7
478.33017	5.1
496.33960	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.4
60.06300	0.3
60.08172	4.3
61.32369	0.4
71.07340	0.3
86.09708	22.3
104.10723	2.0
119.00955	0.3
119.01821	0.4
124.66469	0.3
125.00002	11.6
126.18509	0.3
148.71361	0.4
184.07333	100.0
185.19016	0.4
257.71503	0.4
275.52475	0.3
478.32907	0.5
481.75458	0.4
496.33890	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	497.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49692	0.8
57.03421	0.9
59.05011	1.4
65.18352	1.0
66.55795	0.9
69.03408	2.1
85.02885	8.7
97.02888	1.9
98.49921	0.9
109.10139	2.1
127.03905	1.5
155.08405	1.1
157.62027	1.2
169.10117	6.2
183.11682	1.2
187.11267	1.7
195.11748	1.9
197.09398	1.1
211.11172	5.4
213.09056	5.3
215.10680	1.4
218.07036	1.0
220.12355	1.0
229.12288	1.5
231.10217	6.7
235.14679	1.5
241.12245	2.1
249.11159	1.6
253.15849	1.7
259.13339	2.2
271.16867	8.6
299.16364	7.3
317.17447	54.5
335.18503	51.7
390.32339	1.1
497.23801	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	497.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32085	2.4
63.09225	2.8
69.03412	2.7
69.63233	3.1
70.83092	2.6
81.07032	4.3
88.50571	2.7
91.05443	3.2
93.07053	4.2
105.03392	10.9
105.07030	3.1
107.08613	5.1
110.67190	2.7
117.06993	3.5
127.92102	3.0
129.06969	3.6
135.08113	3.2
143.08571	5.8
147.08052	6.1
155.08521	5.4
159.08043	4.7
169.10121	5.1
171.11581	3.0
179.08693	3.6
181.10129	3.3
183.11652	10.3
193.09950	2.9
195.11707	3.4
197.13321	5.2
210.10280	4.4
211.11142	4.3
211.14867	12.8
213.12688	11.9
221.13260	11.5
229.12132	4.2
239.14342	40.6
257.15427	27.7
317.17459	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	497.2639
Annotation	Sarcodictyin A
Peak:m/z	Relative Intensity
51.38553	0.8
55.05507	2.0
57.03427	4.6
57.07048	0.9
67.05502	16.0
68.68742	1.0
69.07066	9.0
72.57774	1.0
79.05499	7.6
81.07065	17.7
83.08610	2.2
91.05479	4.1
93.07024	7.9
95.08588	13.6
97.06508	1.9
97.48096	0.9
105.07035	1.6
107.08591	5.8
108.92944	0.9
109.10167	3.3
111.93170	1.0
119.08562	4.6
121.10126	7.6
123.11727	1.9
129.05453	4.3
131.08582	1.9
133.10063	1.0
133.49606	0.9
134.98183	35.3
135.11678	1.4
159.11664	1.8
205.93492	1.2
209.01939	1.2
220.11490	0.9
315.60849	1.0
363.28967	5.5
385.26993	9.1
497.26331	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	497.2745
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
56.00071	2.1
67.05490	3.7
69.03423	5.5
69.07037	2.5
79.05493	2.5
81.07040	3.6
83.08611	2.9
85.02895	16.5
89.67373	2.5
91.05473	2.3
93.07053	5.4
95.08600	14.0
97.02894	2.2
105.07028	3.2
107.08591	16.6
109.06514	4.4
109.10143	57.9
112.68271	2.1
119.08551	5.9
121.10113	14.2
123.08107	3.4
123.11708	12.1
127.03886	4.4
127.59793	2.4
131.08582	4.3
133.10138	13.6
135.08041	57.1
143.08566	3.0
145.10074	9.2
147.08031	9.4
147.11636	4.5
149.09645	16.8
151.07526	2.8
157.10136	9.9
159.08080	3.9
159.11676	5.6
161.09595	72.1
161.10928	2.5
163.11244	2.5
163.87686	2.8
169.10089	4.2
171.11697	5.9
173.09615	15.0
173.13188	3.3
175.11154	17.5
177.09114	3.9
183.11697	4.5
185.09584	4.5
185.13322	3.1
187.11156	11.7
189.08961	4.7
189.12708	5.1
191.10629	4.8
193.81380	2.3
197.13202	15.2
199.11188	4.0
201.12775	2.7
203.10706	3.0
207.11696	2.9
211.14816	2.8
212.13490	2.4
213.12717	10.1
215.12506	2.5
215.14368	12.7
223.14803	5.2
225.12724	10.9
227.14311	3.3
227.17723	2.6
237.16254	2.9
239.17899	15.6
241.15797	3.7
243.13803	14.6
253.19461	5.1
255.17406	43.8
257.18994	4.7
271.20575	12.9
273.18469	3.9
281.18927	26.8
299.20029	100.0
317.21033	22.7
335.22083	26.3
410.89307	2.8
497.27878	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	497.2746
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
55.05514	2.2
59.72850	2.1
63.64396	2.2
64.51118	2.0
69.03430	5.4
69.07079	6.1
70.30444	2.6
81.07050	11.7
83.08610	4.5
85.02888	13.4
91.05483	5.0
93.07030	13.7
95.08613	11.4
97.02875	2.5
97.06534	18.0
105.07015	13.5
107.08585	17.6
107.20856	2.4
109.06513	9.2
109.10150	19.5
111.08100	3.4
119.08569	22.1
121.06489	3.5
121.10125	14.5
123.08128	4.6
123.11720	3.6
124.48878	2.3
125.09659	3.4
131.08542	12.8
133.10118	19.1
135.08058	19.5
135.11716	5.8
137.05934	4.1
137.09569	21.9
143.08519	25.2
145.10109	21.4
147.08047	4.4
147.11734	3.7
149.09587	25.4
151.11156	23.5
155.08595	3.2
157.10114	23.3
159.08113	3.8
159.11700	19.8
161.09604	17.0
161.13283	4.0
163.11150	10.5
169.10115	5.0
171.11671	17.5
173.09596	11.5
173.13347	4.3
175.11201	5.5
181.10129	3.1
183.11690	14.2
185.09496	3.6
185.13287	11.2
187.11147	6.0
189.12683	3.5
195.11696	4.6
197.09628	2.9
197.13255	12.3
199.11180	10.4
199.14825	5.2
201.12752	5.7
203.14330	4.2
209.11736	2.7
211.11256	3.1
211.14816	5.4
213.12695	6.0
213.16409	4.2
215.14334	3.7
223.14772	5.8
229.15750	2.7
237.16394	3.8
239.17963	4.3
241.15855	3.2
243.13739	6.0
245.15198	4.6
253.19379	3.5
255.17342	23.0
257.19119	4.7
259.16821	20.6
263.17920	3.8
264.48718	2.5
268.41925	2.7
271.20508	5.0
273.18478	3.9
281.19034	18.2
299.20050	56.5
317.17480	5.2
317.21085	100.0
317.24716	3.5
335.22119	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Palythoalone B
Peak:m/z	Relative Intensity
55.05513	7.0
57.03437	20.7
60.48872	3.4
61.02936	35.2
67.05511	49.9
67.79230	3.3
69.03420	21.2
69.07067	4.3
73.02907	21.6
79.05489	26.4
81.03404	15.8
81.07053	55.5
83.08614	4.1
85.02908	43.1
91.03944	20.8
91.05466	18.6
93.07046	44.0
95.08591	50.7
97.02905	40.3
97.06574	3.7
99.04482	6.0
101.02348	7.7
105.07032	21.1
107.08598	22.5
109.02865	5.2
109.10152	19.3
117.06962	6.4
119.08583	18.5
121.10143	21.6
123.11695	6.0
127.03887	9.0
131.08533	7.6
133.10120	8.5
135.11662	7.0
145.10121	15.1
147.11726	5.5
149.13223	4.5
159.11694	4.1
163.14825	4.8
173.13277	6.1
191.82068	4.1
243.21005	5.2
261.22281	7.9
335.25818	44.8
461.28922	6.2
479.29956	14.9
497.31024	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.5
55.48015	5.5
57.03458	21.9
57.28454	6.0
61.02916	43.9
67.05520	54.6
69.03416	35.3
69.07072	8.8
79.05482	36.5
81.03410	24.5
81.07052	79.3
85.02906	55.0
86.38267	6.7
88.71359	6.2
91.03936	14.3
91.05473	26.5
93.07038	39.3
95.04929	6.7
95.08595	50.6
97.02879	37.6
99.04460	11.9
101.02431	8.9
105.07015	13.4
107.08606	29.0
109.02871	8.5
109.10173	23.4
112.85120	6.4
119.08562	14.8
121.10122	35.6
127.03845	12.2
133.10220	9.3
135.11716	8.1
147.11667	12.1
156.31575	7.2
159.11713	9.7
335.25848	42.0
369.28094	7.6
453.75247	7.4
479.29984	11.8
497.31210	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56859	3.2
51.36693	2.5
52.02553	2.5
55.01860	4.4
55.05507	15.0
55.14809	2.7
56.06861	2.7
57.03438	25.7
61.02674	3.3
61.02932	60.2
67.05505	56.4
69.03432	25.8
69.07054	15.3
73.02906	29.9
79.05491	35.1
81.03409	12.8
81.07054	68.6
83.08608	3.7
83.44627	3.1
85.02902	55.4
91.03947	32.1
91.05469	16.8
91.46809	2.7
93.07029	47.5
95.08601	56.0
97.02872	45.8
97.06519	3.1
97.41332	3.2
99.04426	6.0
101.02388	6.8
105.07030	15.8
107.08577	25.9
109.02892	6.2
109.10162	18.4
110.12786	3.5
111.04333	3.1
119.08584	16.5
121.10143	27.9
123.11655	3.5
127.03889	17.3
128.91719	3.1
131.08536	13.0
133.10092	6.3
135.11682	16.1
145.05017	4.5
145.10141	5.0
147.11693	6.7
148.01923	3.6
149.13260	5.3
159.11682	12.7
219.34645	3.8
261.22110	13.2
335.25751	54.4
344.87891	3.1
351.87601	3.4
461.29138	3.5
479.30139	7.1
497.31067	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	497.3109
Annotation	Achyranthesterone A
Peak:m/z	Relative Intensity
52.30647	3.5
57.07105	3.4
57.08504	3.5
67.05492	19.2
69.07047	17.9
71.04970	6.6
79.05489	5.5
81.07042	20.0
81.75180	3.4
83.04947	6.6
85.06541	53.6
93.07031	20.8
95.04945	16.5
95.08602	28.6
97.06558	8.4
105.07034	14.1
107.08570	25.6
109.06499	4.0
109.10185	5.9
110.07182	6.8
113.05997	20.6
117.07035	4.8
119.04933	4.4
119.08608	6.3
121.06514	7.4
121.10122	8.9
123.08096	34.3
125.09589	4.2
131.08514	19.6
133.10107	9.0
135.08023	7.1
135.11624	5.9
137.05956	5.0
137.09697	3.9
141.09090	9.1
143.08572	5.1
145.10123	26.6
147.11658	6.1
157.10094	6.6
159.11697	16.8
161.09593	8.3
163.11195	5.1
169.10127	6.7
171.08139	4.8
171.11682	4.8
173.09576	36.0
175.11087	6.2
181.12155	4.5
183.11607	6.4
187.11166	20.3
191.10536	6.0
195.13644	5.2
197.13251	7.5
201.12665	4.9
209.13174	5.1
213.12738	18.1
215.14221	6.3
219.13742	7.3
225.12688	5.6
231.13733	16.1
249.14738	8.9
255.17564	4.6
265.15829	7.5
283.17038	6.7
295.20706	5.6
299.20029	5.5
303.19583	7.5
317.20895	8.6
327.00528	4.0
331.22501	4.2
335.03848	15.6
371.22165	37.8
385.23657	15.4
407.25693	5.2
425.26700	32.0
443.27933	100.0
461.28970	91.1
484.55429	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	498.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.22672	0.4
56.20269	0.3
63.53038	0.3
69.03430	6.1
71.04994	0.6
76.82369	0.4
77.03935	0.4
79.05487	2.5
81.02975	0.7
81.03423	12.8
85.02905	9.0
95.04967	1.9
97.02888	9.7
99.04449	3.1
105.03393	100.0
105.87855	0.4
109.02871	11.4
109.03567	0.7
119.04990	0.4
123.04419	12.5
127.03922	7.3
137.05981	9.6
145.04968	1.8
147.04384	5.9
179.07086	0.8
181.08667	0.5
231.06442	0.5
249.07553	24.6
265.42883	0.4
267.08600	26.8
449.66418	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	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10763	0.7
53.03942	1.3
54.02575	0.8
56.77283	0.7
57.03431	0.9
59.70441	0.7
64.59529	0.6
69.03426	5.6
69.81581	0.9
73.02913	3.5
77.03930	0.9
79.05489	0.9
81.03417	15.6
85.02914	6.8
91.18627	0.8
95.04973	3.1
97.02881	8.6
97.22581	0.7
98.41226	0.8
99.04453	1.7
105.03392	100.0
109.02866	12.9
123.04428	10.2
127.03921	6.5
137.05975	81.9
145.04962	1.0
147.04454	1.5
151.03874	1.8
163.07576	3.1
177.05492	1.4
181.08589	10.4
183.56369	0.7
191.07048	1.3
197.05942	1.1
202.64171	1.0
215.06990	1.5
220.04059	0.8
229.08609	1.7
233.08141	3.3
249.07578	27.1
257.08084	4.0
267.08627	23.2
275.09076	1.4
293.10263	1.1
397.12717	1.1
415.13715	2.0
437.58835	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	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
69.03421	0.6
73.02920	4.4
81.03416	1.1
85.02901	1.1
95.08628	0.3
97.02892	1.3
97.49171	0.3
105.03401	8.3
107.69837	0.3
108.43903	0.2
109.02900	0.6
111.01684	0.2
115.03942	0.3
116.13280	0.3
123.04414	0.4
127.03979	0.3
131.04935	0.6
137.05978	100.0
147.04326	0.3
151.03920	0.4
151.07561	0.5
163.07542	3.1
175.07552	0.5
181.08580	16.8
233.08102	0.3
237.64191	0.3
249.07404	2.2
250.19691	0.3
267.08652	1.5
332.57465	0.3
349.16534	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	498.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79713	2.2
64.70890	2.7
75.65530	2.6
77.26039	2.8
78.56614	2.8
81.07039	4.2
91.05479	3.0
109.00829	2.8
109.06503	4.9
119.08646	3.9
129.06992	3.1
131.08592	3.6
141.07019	3.6
143.08528	13.5
145.10123	6.3
147.07973	3.0
155.08540	12.1
157.10164	4.7
165.06873	4.3
167.08485	5.4
169.10123	22.0
179.08530	25.9
180.09351	4.8
181.10101	4.9
183.11664	12.2
191.08524	14.1
192.09357	11.4
193.10101	30.0
195.11682	14.1
197.09602	5.2
197.13260	5.8
206.10884	65.5
211.11238	2.8
211.14818	26.7
221.13245	100.0
224.11984	4.5
235.44083	3.5
239.14299	69.8
240.29282	2.9
281.15265	5.9
299.16443	37.0
307.73788	3.1
359.18329	15.5
482.20746	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	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.03420	1.9
58.06608	9.4
59.07380	3.7
59.57359	0.5
60.08174	4.3
67.05498	0.7
69.07040	1.1
75.04480	1.8
81.07060	2.0
82.68418	0.5
83.08608	0.6
85.02924	0.7
87.04440	2.7
89.64719	0.5
93.07078	0.5
95.08595	2.0
100.11179	0.6
105.05521	0.7
109.10156	0.8
124.75006	0.5
131.07022	2.1
144.10204	7.3
145.08382	0.5
162.11238	3.6
236.14922	100.0
313.27304	0.5
393.24332	0.5
480.36871	8.6
498.37909	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17950	0.6
57.90050	0.7
94.93032	0.8
99.87451	0.8
136.94037	3.5
176.93578	1.0
268.98218	100.0
297.87909	0.7
299.33221	0.7
322.28525	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	499.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84058	0.6
52.79494	0.6
52.92219	0.6
55.78879	0.6
58.52682	0.6
64.13103	0.7
80.76611	0.7
91.05500	0.8
92.19994	0.7
119.04957	6.9
121.02868	9.9
162.23485	0.6
163.03905	1.8
167.03363	4.4
180.20465	0.6
197.36269	0.8
205.48726	0.8
251.35757	0.9
311.09103	5.0
322.08331	31.0
322.12082	1.4
333.11227	4.3
346.08469	0.8
348.06088	1.6
381.09671	19.3
484.11682	1.4
499.13867	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	499.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08866	0.6
84.65623	0.7
85.02870	0.7
305.04541	0.8
317.08340	7.4
367.13495	1.2
499.17780	100.0
503.08524	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	499.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92124	0.4
62.50776	0.4
65.64487	0.4
70.06569	0.5
92.18490	0.5
123.13117	0.5
123.45232	0.7
137.09656	0.6
146.44104	0.4
153.02055	0.5
155.03294	0.4
248.19421	0.5
274.14542	0.9
296.50037	0.5
317.08337	6.3
319.16592	1.1
337.17419	1.1
367.13626	2.2
499.17819	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	499.2148
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
54.47727	0.2
55.55591	0.3
69.03386	0.3
75.24362	0.2
83.39841	0.3
83.44041	0.3
85.02897	0.4
93.07072	0.4
96.69949	0.3
98.06591	0.3
98.16827	0.3
107.08612	0.5
111.19555	0.3
112.99199	0.3
121.10169	0.3
137.05939	0.6
144.23105	0.3
145.10150	0.4
165.34773	0.3
179.76697	0.3
194.78401	0.3
280.34064	0.3
302.21719	0.4
305.08350	0.7
319.22772	0.5
336.93896	0.4
337.16248	2.0
337.23776	0.5
363.08975	16.6
365.10474	1.4
449.69843	0.4
488.53366	0.3
499.21475	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	499.2683
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
63.02788	2.0
67.05502	4.0
68.09354	1.8
80.65614	1.8
81.07038	3.1
85.02931	2.9
92.17928	3.4
93.07001	3.3
95.08588	3.4
137.96870	2.1
159.06413	2.2
180.63213	2.1
266.79932	2.1
453.41415	2.6
499.26450	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	499.2665
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.40707	0.8
58.70989	0.6
63.40567	0.6
67.05486	1.6
71.04985	1.3
79.05471	1.2
83.01096	1.3
91.05455	1.2
93.07011	5.8
95.04964	7.6
95.08578	1.2
95.95544	0.8
105.07002	3.4
107.04954	1.1
107.08583	8.2
108.95329	0.9
109.10122	3.8
117.07023	1.4
119.08562	7.3
121.10113	3.0
131.93402	0.8
133.10130	20.9
135.08076	8.5
135.11697	1.3
145.10089	8.3
147.11653	5.4
163.11179	1.7
305.18866	3.1
358.10388	0.9
365.20850	1.7
379.22482	6.8
439.24100	1.4
461.31238	0.8
499.26624	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	499.2667
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
52.98522	0.6
54.81536	0.7
61.12864	0.6
79.45170	0.6
81.07067	1.1
86.68346	0.6
88.58235	0.6
89.73209	0.7
91.05505	1.0
93.07030	1.6
95.08620	1.3
97.02639	0.8
105.07014	1.3
107.08598	1.1
109.10131	1.1
119.08580	3.0
121.10126	2.7
131.08534	0.9
133.10129	3.0
135.08078	3.0
137.33440	0.7
140.16461	0.7
143.08563	3.8
145.10133	2.7
155.08548	1.1
157.10184	0.8
159.11725	1.3
161.09592	1.0
171.11624	0.7
181.10176	1.2
195.11583	0.9
209.13164	0.7
213.98643	0.6
265.19696	1.2
305.18716	6.4
365.20895	2.5
379.22488	8.9
383.22031	1.4
397.23447	5.3
439.24539	6.8
499.26642	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	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66570	3.3
55.05504	24.0
57.03435	23.7
57.07087	6.3
61.02929	42.6
61.82563	3.2
67.05507	56.1
69.03423	28.1
69.07073	30.4
73.02913	20.1
75.34660	3.7
79.05489	16.6
81.03393	7.6
81.07056	84.1
83.04978	4.8
83.08606	23.6
85.02899	48.9
86.09695	5.7
91.03951	27.2
91.05476	8.9
93.07011	31.9
95.08607	52.9
97.02898	41.9
97.06537	5.2
97.10130	4.2
99.04435	7.2
101.02372	13.9
104.10723	9.0
105.07040	6.9
107.08595	17.8
109.02909	5.8
109.10168	28.8
119.08569	7.1
121.10117	16.3
123.11691	8.8
127.03940	16.3
135.11714	8.6
149.13263	7.2
161.13242	4.1
184.07335	15.3
185.07666	5.8
186.07777	8.6
189.16357	4.4
201.07631	3.9
214.74261	3.5
231.10530	3.3
245.22552	6.9
253.97791	4.0
263.23758	8.4
326.29129	3.6
337.27350	68.8
340.41592	3.3
463.30060	5.0
481.31766	16.3
499.32642	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55605	5.9
55.05511	13.4
57.03433	17.9
61.02917	47.6
61.73585	6.5
67.05500	55.8
69.03417	30.2
69.07051	33.5
71.08585	7.1
73.02901	11.2
73.06081	8.3
79.05486	15.3
80.92934	6.9
81.03414	15.3
81.07050	76.1
83.08617	31.0
83.81852	8.3
85.02913	55.3
87.31913	6.8
91.03948	17.1
91.05468	9.6
93.07036	13.9
95.08620	68.2
97.02886	35.4
105.07037	10.6
107.08597	11.8
109.10140	16.0
109.94099	6.9
121.10126	17.6
123.11708	8.6
127.03917	13.6
133.10141	17.0
135.11661	7.8
202.50687	7.5
263.23663	11.5
289.81165	7.7
337.27402	45.2
499.32785	100.0
511.54636	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	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50033	0.4
70.06593	0.5
71.04982	2.2
73.02909	0.6
80.04992	0.5
81.07033	0.4
85.02906	0.6
86.09698	0.8
95.04935	0.5
97.02872	0.5
108.04486	0.5
109.05222	3.3
110.06067	0.5
114.72021	0.4
120.04498	3.1
122.06026	1.8
135.06792	1.9
136.07573	4.1
146.06035	4.3
146.07048	0.7
147.06831	0.6
159.06635	0.5
160.07571	1.8
174.09109	3.6
176.79193	0.4
178.12274	5.3
188.03642	0.7
188.10686	4.8
189.11479	65.1
190.12245	0.8
206.11757	100.0
354.11789	0.6
368.17017	60.2
500.21243	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50033	0.4
70.06593	0.5
71.04982	2.2
73.02909	0.6
80.04992	0.5
81.07033	0.4
85.02906	0.6
86.09698	0.8
95.04935	0.5
97.02872	0.5
108.04486	0.5
109.05222	3.3
110.06067	0.5
114.72021	0.4
120.04498	3.1
122.06026	1.8
135.06792	1.9
136.07573	4.1
146.06035	4.3
146.07048	0.7
147.06831	0.6
159.06635	0.5
160.07571	1.8
174.09109	3.6
176.79193	0.4
178.12274	5.3
188.03642	0.7
188.10686	4.8
189.11479	65.1
190.12245	0.8
206.11757	100.0
354.11789	0.6
368.17017	60.2
500.21243	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29934	1.9
55.82271	1.9
63.06606	1.9
69.03409	3.9
71.04977	2.4
74.67560	2.0
79.05495	3.6
81.03415	41.4
81.07058	39.6
85.02903	43.7
85.06541	100.0
87.05119	1.9
97.02885	7.6
99.04432	2.0
99.08157	2.3
102.12804	3.6
109.02882	52.4
109.06513	28.1
109.73042	1.8
113.05940	3.2
118.78389	2.2
121.31903	1.8
125.41325	2.3
127.03887	20.1
127.07536	63.7
140.35869	2.0
141.05496	7.2
145.04967	2.7
190.04996	3.3
195.08588	24.4
205.06947	2.5
253.10744	3.9
271.11722	14.7
289.12781	59.7
399.90848	2.2
400.52377	2.1
465.19614	7.5
500.19211	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	500.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33277	2.5
55.05510	6.0
55.59783	3.1
57.03438	5.2
60.99960	2.4
67.05489	11.0
69.03415	2.6
69.07067	6.3
70.64807	2.5
79.05486	4.4
81.07049	19.0
83.08598	4.2
85.02892	4.9
85.06541	17.6
91.05442	4.3
93.07045	30.2
95.04958	6.5
95.08603	34.5
99.08092	4.0
105.07023	13.7
107.08573	28.9
109.06520	16.5
109.10157	22.3
111.08077	3.6
117.07050	3.6
119.08565	30.2
121.10122	19.5
123.08060	3.9
123.11710	13.6
124.42924	2.6
131.08591	13.2
133.10112	32.8
135.08017	13.7
135.11671	20.0
137.09650	4.0
143.08557	5.0
145.10159	21.9
147.11649	25.0
149.09608	3.5
149.13315	6.3
157.10095	15.3
159.11707	24.5
161.13252	16.3
163.11148	4.2
169.10175	4.0
171.11673	6.2
173.13272	32.3
175.11160	3.9
175.14850	5.3
185.13263	25.6
187.14815	36.4
189.16306	4.3
191.14188	4.0
197.13232	11.4
199.14862	11.2
201.16345	4.2
203.18163	3.1
211.14795	9.4
213.16463	4.1
215.14404	3.0
215.17868	4.9
225.16409	5.0
227.17921	15.7
241.19484	5.4
241.55124	2.8
243.17294	3.4
257.22461	3.4
267.21091	17.1
285.22110	100.0
303.23145	77.3
321.24463	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	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09545	1.0
52.22945	0.8
53.41558	0.9
55.05518	1.1
57.03442	1.2
57.69599	0.9
58.06607	15.3
59.07376	5.4
60.08152	5.4
67.05492	2.4
69.07071	1.9
69.50119	1.1
75.04475	1.2
81.07056	1.9
83.08604	2.6
85.02911	1.3
87.04453	1.5
95.08627	1.6
118.23638	1.0
124.34933	1.1
144.10205	10.2
190.31285	1.1
236.14909	100.0
242.82777	1.0
294.74316	1.2
320.92307	1.2
323.98749	1.1
381.61392	1.2
438.39236	1.6
482.38501	7.1
500.39456	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1735
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
50.12137	0.6
66.98866	0.6
91.66243	0.6
93.07029	1.0
102.97864	0.7
137.05989	0.7
172.21860	0.7
189.11436	3.1
190.11809	3.1
206.11710	3.9
207.12065	4.6
211.17081	0.8
244.42105	0.7
321.17307	0.9
369.17392	1.5
473.42984	0.9
501.17206	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	501.1866
Annotation	Singapurensine D
Peak:m/z	Relative Intensity
53.50087	0.6
56.46269	0.5
57.03442	19.1
59.85695	0.6
59.97182	0.6
85.02877	0.8
85.06543	35.6
105.97048	0.8
106.02909	2.6
109.79887	0.7
124.03955	15.3
132.04440	1.3
161.16418	0.7
163.09909	1.8
167.98820	0.7
189.20526	0.8
195.08904	3.3
201.26115	0.7
201.69283	0.7
208.09682	94.4
217.09718	3.1
221.53732	0.7
268.08173	3.3
279.06931	0.8
302.60989	0.7
352.14001	6.7
379.14886	1.0
441.12024	4.1
473.25027	0.9
501.18640	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	501.212
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
52.13578	2.4
53.03967	3.0
65.29607	2.6
67.05516	3.1
69.03421	3.4
79.05489	4.5
81.07043	5.5
81.57163	3.3
84.11713	3.4
87.69858	2.9
91.05446	5.2
93.07034	16.3
95.04960	20.3
95.08603	13.3
105.03391	93.9
105.07048	25.3
107.04929	12.9
109.06519	5.5
117.07037	4.5
119.08557	20.9
121.06564	24.6
121.10135	25.3
123.08070	35.1
131.08578	3.6
133.06491	25.1
133.10115	4.4
135.08034	4.3
143.08508	3.3
145.10062	3.1
147.08044	83.1
149.05965	13.3
149.09596	13.0
151.07535	20.6
157.10106	4.4
158.97139	2.9
159.08047	38.3
161.05943	3.1
161.09612	4.5
165.09113	15.4
169.08640	6.8
169.10051	5.8
171.08002	5.5
171.11722	4.7
173.09590	5.8
177.09047	12.5
179.98662	2.8
181.09993	11.4
183.11736	14.5
185.09677	13.0
187.53258	3.7
193.10127	6.0
195.11671	12.2
197.09651	12.4
199.11249	13.4
203.14389	4.5
207.11781	4.6
209.09648	11.0
209.13321	5.0
211.11221	19.9
213.09041	7.1
213.12657	3.7
215.10785	4.4
221.09645	4.0
223.11084	4.8
223.14819	4.0
225.12695	6.4
227.10661	14.2
227.14177	3.6
229.12241	4.3
230.20148	2.9
233.13104	3.8
237.12708	6.7
239.10555	6.5
251.14278	5.5
253.12175	6.1
253.15892	4.9
255.14000	3.8
257.11832	4.0
269.15472	6.5
279.13754	11.4
281.11713	3.7
281.15179	4.8
297.14902	11.4
299.16409	6.7
317.17468	4.8
325.14261	26.0
343.15436	18.3
361.16452	30.3
427.53394	3.2
501.21185	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	501.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24855	0.5
54.94795	0.5
59.91623	0.6
69.03408	0.5
79.57396	0.6
81.07064	0.8
84.17832	0.6
92.18525	0.8
95.08624	2.4
107.08598	0.8
119.12260	0.7
123.11747	0.9
133.10109	0.7
146.14272	0.6
247.77164	0.5
301.18039	1.3
303.23062	0.8
320.11099	0.7
423.28900	1.0
438.12802	0.7
441.29971	0.9
459.60208	0.6
483.30984	0.7
501.23071	100.0
501.30844	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	501.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68777	0.3
62.59753	0.4
85.02887	0.5
85.96763	0.3
86.24774	0.4
109.68266	0.4
118.06511	2.1
132.08119	1.4
137.05986	6.4
138.06314	3.0
144.08081	5.2
146.06007	38.0
159.09172	4.0
170.05994	0.9
188.07060	100.0
205.09717	41.6
216.69690	0.4
350.20172	0.4
361.90771	0.4
450.99530	0.4
501.15393	0.8
509.73874	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	501.246
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45983	1.0
83.04968	1.4
93.07027	1.4
99.10484	1.2
107.08584	1.8
109.10112	1.4
114.43725	1.1
119.08566	2.4
133.10101	1.6
135.08008	1.6
137.09598	2.0
143.08578	1.6
145.06375	2.1
147.07990	1.3
147.40558	1.2
149.09586	1.3
157.10115	4.7
159.11685	1.9
161.09558	2.1
163.07434	1.2
163.19356	1.2
181.10059	2.0
183.11696	1.9
199.11209	1.1
203.91031	1.1
277.95303	1.2
381.20251	8.1
441.22583	16.9
449.69876	1.4
451.16251	1.5
457.91888	1.2
483.43002	1.3
501.24539	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	501.2458
Annotation	Arg Tyr Tyr
Peak:m/z	Relative Intensity
55.05518	2.0
59.04996	1.4
65.70319	1.0
67.05516	1.1
81.07069	1.4
83.04974	5.7
93.07037	1.8
95.08602	2.6
98.38193	1.1
105.03377	4.6
105.07021	2.1
105.25230	1.1
106.83583	1.0
107.08584	1.6
109.06537	1.7
109.10150	1.5
119.08613	2.5
121.10105	1.4
123.08028	1.3
123.11680	1.4
129.06981	1.4
131.08580	4.5
133.06503	1.4
133.10143	2.4
137.01340	1.1
143.08626	1.1
145.10144	2.4
147.08076	1.3
155.08530	2.2
157.10124	2.6
159.11804	1.3
161.09592	1.6
169.12009	1.2
174.04399	1.3
181.10098	4.1
183.11774	2.5
193.10118	1.3
195.11795	2.2
197.13289	2.4
207.11719	1.8
209.13475	1.4
211.11038	1.2
216.34814	1.1
223.14821	6.3
225.12666	1.1
241.15755	1.6
281.19238	1.2
292.08588	1.1
322.15173	1.4
323.16058	10.7
381.20285	2.5
418.59647	1.2
441.22366	5.2
501.24588	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	501.2462
Annotation	Tropolactone B
Peak:m/z	Relative Intensity
53.99160	1.1
55.05500	1.4
57.07072	1.5
59.95425	0.9
60.83632	0.9
61.94656	0.9
66.52972	1.0
67.05468	0.8
69.07057	1.4
71.08622	1.2
79.05485	1.6
81.07036	1.9
82.93086	1.0
83.04934	1.0
83.08617	4.4
91.05484	1.6
93.07024	4.2
93.30418	1.3
95.08586	2.6
105.07008	6.2
107.08584	5.4
109.06529	2.0
109.10119	1.7
119.08588	14.7
121.10115	1.7
121.35353	1.0
129.06998	1.7
131.08586	7.5
133.06523	2.0
133.10100	4.4
135.08040	1.3
143.08528	6.4
145.10124	9.4
147.11671	1.8
151.03963	1.7
155.08525	2.6
157.10107	7.0
159.11685	2.5
161.09589	1.7
167.08545	1.3
169.10109	6.8
171.11679	5.6
173.09602	1.7
173.13269	2.6
177.42914	1.2
181.10167	2.2
183.11659	14.3
184.36060	1.0
185.13255	4.7
187.14835	2.0
193.10048	1.6
195.11685	2.3
197.13239	2.2
201.12773	1.4
206.10977	1.0
207.11638	3.9
209.13226	1.8
221.13199	4.4
263.17984	4.4
281.18951	5.0
299.20090	1.8
321.17899	1.3
381.20322	19.0
441.22458	55.3
501.24527	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	501.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93275	3.3
55.49161	3.3
61.67330	3.4
81.07055	3.7
91.05467	17.3
93.07037	5.4
95.04935	4.1
95.08583	6.1
105.07017	17.3
107.08569	6.2
111.08080	5.4
119.08586	43.3
123.08052	6.4
126.83421	4.2
131.08611	16.5
133.10130	36.2
135.08032	8.2
137.09628	18.5
143.08563	25.5
145.10095	17.9
147.07997	5.2
149.09619	18.3
153.09126	7.7
155.08615	6.0
157.10098	16.0
159.07990	5.6
159.11653	7.1
161.09602	100.0
161.10901	4.6
163.07500	16.2
169.10083	7.4
171.11659	6.5
173.09637	8.9
179.10646	24.0
181.10097	8.8
185.09563	5.1
195.11589	8.9
199.11110	5.8
209.13268	21.9
223.11218	8.0
223.14972	5.8
231.11792	7.0
237.12688	7.3
251.17992	19.8
261.16281	13.4
264.15036	7.8
269.18985	18.2
279.17422	73.5
288.75980	5.2
292.34122	4.7
297.18469	70.8
321.18494	4.5
339.19565	42.8
357.20541	6.0
381.20572	5.1
399.21561	18.8
441.22546	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	501.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17942	3.1
58.44106	3.3
63.39471	2.9
69.07088	3.6
79.05474	4.9
81.07055	13.3
91.05439	4.9
93.07018	5.8
95.08582	5.3
97.06558	3.9
102.01726	3.6
102.53802	3.5
105.07001	8.7
107.08568	14.4
109.10126	15.1
110.21128	3.5
117.07011	5.1
119.08584	40.0
121.10123	5.8
123.08096	5.8
131.08540	15.1
133.06505	4.2
133.10127	5.8
135.08067	13.0
137.09589	7.0
143.08548	21.8
145.10094	14.3
155.08525	16.8
157.10091	7.9
159.08011	7.9
159.11665	4.4
161.09593	16.3
169.10088	18.6
173.09633	16.0
179.08629	4.5
181.10115	24.7
183.11774	5.8
185.09700	3.8
187.11177	4.5
193.10126	17.5
194.10828	3.7
195.11710	27.3
204.09395	4.5
206.10843	7.3
207.11717	6.0
209.09663	4.7
209.13239	16.7
217.10063	8.2
219.11736	12.7
220.12500	6.3
221.13193	18.4
222.13974	4.7
223.11157	12.6
231.11594	31.9
232.12450	4.5
235.14854	6.9
236.12073	5.6
237.12735	9.0
237.16396	17.5
239.14268	4.8
246.14003	31.9
251.17854	9.0
261.16391	46.7
264.15240	4.4
267.73584	4.0
279.17447	100.0
297.18652	18.9
321.18491	4.1
339.19598	16.3
399.21844	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	501.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55063	2.2
60.03978	2.5
67.05502	3.2
69.07069	4.0
79.05506	4.7
81.07051	8.7
91.05472	10.8
93.07045	5.6
95.08581	11.6
101.01639	2.8
105.07026	15.7
107.08570	12.3
109.06539	3.2
109.10155	11.9
119.08580	40.2
121.06473	4.9
121.10086	4.1
123.08060	10.3
128.06285	2.9
129.06970	3.8
129.64442	2.4
131.08536	9.4
131.85962	2.1
133.10124	5.5
135.08031	9.9
137.09608	13.6
141.09171	2.5
142.07770	3.8
143.08572	24.8
145.06509	2.6
145.10130	11.9
149.09612	5.1
155.08562	15.3
157.10118	14.5
159.08076	11.9
159.11673	3.1
161.09576	13.2
167.08502	9.2
169.10110	15.9
171.08025	3.0
171.11685	4.6
173.09637	12.5
179.08618	3.4
180.09331	4.1
181.10094	17.7
183.11717	8.9
185.09525	4.0
187.11140	16.3
192.09308	2.9
193.10152	10.4
194.10786	3.3
195.11691	29.4
195.24908	2.6
197.09648	4.2
197.13229	3.0
199.11104	9.4
204.09361	5.6
205.10213	5.8
206.10942	10.4
207.11661	16.0
208.12439	3.9
209.09645	9.9
209.13225	20.1
211.11241	3.7
213.12778	2.6
217.10165	4.0
219.11664	21.0
220.12465	11.4
221.13235	12.9
222.10344	3.4
222.13969	5.1
223.11174	14.4
223.14784	4.0
231.11714	34.0
232.12358	4.6
233.13185	2.9
235.14824	11.3
236.11909	4.8
237.12717	21.7
237.16374	14.9
239.14394	9.3
245.13179	2.7
246.13977	28.0
249.12807	4.3
251.17914	12.4
261.16422	43.5
264.15152	4.5
269.18930	4.8
279.17419	100.0
297.18433	27.3
321.18533	12.5
339.19635	18.9
399.21692	5.7
501.24057	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	501.246
Annotation	Arg Tyr Tyr
Peak:m/z	Relative Intensity
67.60845	0.7
68.29850	0.8
69.07037	0.7
75.25997	0.9
79.05497	1.1
80.55854	0.9
81.07045	1.6
84.44807	0.8
86.15324	0.8
91.05491	0.9
93.07023	5.3
95.04948	4.1
95.08582	1.9
101.21001	0.7
105.07009	3.5
107.08580	11.0
109.10115	3.4
119.08607	8.7
121.10117	4.0
131.08630	1.0
133.06517	2.7
133.10143	3.6
135.08044	16.5
135.11688	2.0
137.09570	1.0
143.08601	0.9
145.10110	5.0
147.11713	1.3
149.09596	3.9
157.10168	1.2
161.09593	4.5
163.11189	5.5
171.11664	1.8
173.13177	0.9
183.11554	1.0
197.09450	1.2
215.10413	3.8
241.15848	5.0
253.19594	0.9
281.18878	0.9
299.20053	1.1
321.18137	1.0
381.20282	20.8
441.22458	4.0
501.24475	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	501.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.5
57.13491	1.6
57.67898	1.8
67.05498	3.2
69.07038	2.7
79.05487	4.4
81.07039	8.0
83.04958	2.4
83.08598	2.8
91.05475	8.9
93.07014	2.9
93.91497	2.1
95.08591	7.6
97.06525	4.4
105.07042	18.0
107.08591	9.7
109.06530	2.9
109.10159	7.5
109.39664	1.8
110.49732	1.9
117.07030	3.0
119.08578	38.0
121.06485	4.6
121.10142	6.7
123.08052	4.6
123.08839	1.8
129.07011	4.0
131.08549	18.6
133.06493	4.4
133.10091	9.1
135.08052	10.1
137.09628	11.9
143.08537	26.1
145.10139	11.2
145.42932	1.8
149.09605	4.7
155.08549	16.8
157.10106	11.7
159.08089	9.1
159.11736	8.0
161.09633	8.5
163.11272	2.1
165.06918	2.5
166.07831	2.0
167.08534	9.1
169.10141	20.5
171.08052	4.7
171.11668	2.6
173.09657	10.9
177.09076	2.3
179.08546	8.3
180.09337	3.5
181.10046	18.1
183.11700	7.8
185.09572	3.3
187.11174	10.4
189.12721	2.1
193.10156	13.9
194.10883	3.8
195.11693	23.6
196.12488	1.8
197.13239	2.4
199.11208	4.7
199.70267	2.0
204.09435	4.2
205.10118	3.7
206.10858	10.0
207.11671	13.2
208.08952	2.4
208.12421	3.7
209.09639	9.5
209.13205	21.8
211.11038	5.9
213.12746	2.8
215.10448	1.8
217.10168	8.3
219.11713	18.6
220.12466	7.7
221.09552	2.7
221.13289	10.3
222.10394	7.7
222.14014	4.2
223.11241	13.3
223.14780	3.4
224.12024	3.6
225.16339	3.2
229.69469	1.9
231.11653	28.3
232.12498	8.0
235.11188	3.1
235.14830	12.1
236.11862	3.8
236.15572	3.7
237.12837	17.4
237.16330	16.5
239.14288	7.6
246.13992	28.5
249.12775	7.7
250.13651	2.7
251.17963	15.5
261.16376	53.9
264.15097	8.9
269.18860	3.7
279.17422	100.0
279.23984	1.9
297.18384	23.0
321.18481	11.7
339.19501	19.9
357.20880	2.2
399.21771	13.6
512.52362	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	501.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73803	0.7
60.86013	0.8
66.26046	0.7
67.05501	1.3
70.17128	0.8
81.07037	1.7
85.75550	0.8
91.05466	1.1
93.07051	3.3
95.08607	3.5
105.07037	1.9
107.08603	3.5
119.08598	3.5
123.11721	1.3
131.08603	1.9
133.10146	4.5
135.11763	1.0
141.05232	19.4
142.54539	0.9
143.08563	1.7
145.10106	3.8
147.11693	1.0
157.10115	1.3
157.53639	0.8
163.11200	1.1
171.11646	1.3
197.13283	1.2
280.21191	0.9
323.19797	16.6
334.40787	0.9
441.26300	31.8
501.28299	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	501.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
63.22670	0.8
67.05501	1.3
72.63641	0.8
72.74087	0.9
79.05480	1.8
81.07042	6.3
83.08594	1.2
85.06538	1.5
91.05472	3.1
93.07043	11.6
95.04964	1.4
95.08620	5.4
97.06525	1.7
105.07017	3.2
107.04996	1.3
107.08599	4.9
109.06531	7.8
109.10168	1.1
111.08099	4.6
116.72781	0.9
119.04919	6.7
119.08542	1.7
119.27521	0.9
121.06518	1.9
121.10151	1.9
123.08108	1.8
127.07549	1.3
131.08582	5.4
133.10135	2.0
135.04411	4.4
135.08046	7.2
137.05963	8.7
137.09578	1.2
139.07559	3.8
141.12773	1.4
143.08571	3.6
145.10149	6.9
145.92114	0.8
147.08078	1.7
147.11711	1.8
149.09641	1.1
153.05499	4.5
153.09123	5.5
155.07051	5.5
155.08510	1.2
159.11728	4.3
161.09639	1.3
163.07550	5.3
165.09200	0.8
169.10225	1.3
171.08104	3.5
171.11745	3.5
173.09601	12.5
173.13284	6.2
174.98270	0.9
175.11252	1.3
175.14665	1.1
181.08601	8.2
181.10057	1.5
182.10774	1.2
183.11719	3.9
185.13297	1.2
187.11238	2.0
189.09163	1.9
191.10669	1.9
195.11583	2.4
197.09525	1.2
197.13333	2.9
198.41223	0.8
199.09676	6.4
199.11255	3.2
199.14941	0.9
201.12819	3.3
207.11758	1.3
209.09731	1.2
209.13351	1.7
211.11041	2.4
213.12798	2.0
219.13829	0.8
223.11230	1.9
225.12737	18.2
226.13582	3.9
227.14401	4.3
231.13861	3.9
234.88245	0.9
235.14760	1.1
237.12709	1.7
237.16406	3.1
239.14294	1.3
241.15796	1.1
245.13228	1.1
247.14993	1.3
249.14824	1.6
250.13525	1.3
253.15923	3.6
255.17534	4.7
256.63477	0.8
263.14282	5.9
264.15063	1.1
265.15921	11.3
267.17407	1.9
281.15451	5.2
282.16290	1.2
283.16943	31.8
283.20245	1.4
284.17688	4.6
285.18506	3.5
293.19205	4.2
300.17328	1.1
301.17984	13.5
302.18600	4.2
303.19589	4.6
311.19971	5.9
328.20496	1.1
329.21268	1.6
330.21478	0.9
349.11041	9.8
407.21976	5.8
442.30380	1.6
447.25177	7.5
460.31360	16.5
465.26520	13.1
483.27399	25.6
483.33981	1.4
501.22931	9.0
501.28653	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	501.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54496	6.4
55.05497	44.9
63.72195	5.8
65.57784	6.1
79.05473	10.7
79.45702	6.2
81.66633	5.9
82.58530	6.3
83.04973	100.0
91.05472	30.5
93.07037	64.9
95.08603	10.2
105.07008	14.6
107.08561	10.4
119.08554	41.4
121.10158	10.8
126.50814	8.8
129.06973	11.3
130.47049	6.4
131.08578	15.6
133.10106	31.3
142.07759	8.3
143.08554	16.4
147.11667	8.1
155.08522	15.4
156.09261	7.5
157.10101	37.7
167.08542	7.7
169.10100	9.6
171.11649	15.2
181.10056	12.2
183.11713	12.3
192.09305	11.6
193.10100	26.1
194.04924	7.0
195.11732	14.2
206.10909	31.6
207.11632	33.9
219.11635	8.8
220.12506	27.4
221.13203	33.9
223.14877	25.2
226.13542	8.0
233.13219	14.2
234.13968	9.5
241.15752	53.7
248.15468	14.7
263.17923	97.7
281.18982	53.6
323.20071	39.2
341.20975	6.9
421.27222	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	501.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09369	5.0
51.91372	5.1
54.30010	5.7
57.07077	46.1
60.87644	5.4
64.66640	6.9
69.87943	5.4
70.11333	6.7
81.07061	6.3
91.05462	7.7
93.07047	7.4
95.08598	8.5
95.46017	6.0
105.07047	7.2
107.08610	15.4
119.08574	32.2
121.10133	7.2
131.08511	8.9
135.08008	14.0
140.24339	6.0
140.54161	6.1
145.10133	9.3
149.09604	7.5
152.92734	7.7
161.09625	12.0
171.11662	6.9
187.11229	8.0
195.11713	9.7
209.13307	9.5
251.17885	9.0
257.15353	100.0
261.16370	10.4
279.17462	52.0
297.18512	51.4
341.20999	11.3
357.20319	7.0
397.62537	6.1
401.23230	35.8
409.52716	6.1
501.28326	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	501.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.5
57.03434	21.5
57.07067	24.3
59.05018	3.4
60.77919	3.2
61.02930	54.5
65.30663	3.5
67.05524	27.5
69.03413	20.0
69.06740	3.9
69.07068	44.2
69.19470	3.2
71.08632	7.3
73.02913	25.8
79.05502	15.0
81.03405	14.8
81.07051	32.8
83.08616	33.8
85.02916	53.3
91.03946	35.3
93.07052	30.0
95.08606	37.7
97.02890	55.2
97.10167	24.6
98.17700	4.8
99.04459	7.1
101.02371	6.9
103.03946	4.9
104.44073	3.6
105.07042	3.7
107.08594	18.7
109.02863	15.0
109.10144	18.1
110.32697	3.8
111.11678	3.5
111.62077	3.7
121.10125	28.2
121.84006	3.7
127.03917	28.7
133.10129	5.6
133.76575	4.0
135.08101	5.0
135.11694	20.5
158.83983	3.8
173.09521	4.8
239.14311	5.6
247.24213	5.5
265.25305	22.2
279.17435	8.1
280.07071	3.8
333.14844	4.0
339.28949	83.8
396.99496	4.1
447.30798	5.6
483.32983	6.9
501.34274	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	501.3421
Annotation	Adouetine X
Peak:m/z	Relative Intensity
55.05510	17.0
57.03452	25.1
57.07069	14.7
61.02928	50.0
63.29998	2.4
66.62901	2.8
67.05509	25.0
69.03428	28.6
69.07075	35.2
71.01328	4.3
71.04981	3.7
71.08620	6.0
72.21557	2.7
73.02925	26.6
79.05476	12.6
81.03413	14.7
81.07050	36.1
83.08619	38.7
85.02906	59.8
91.03928	26.1
93.07040	16.5
95.08581	35.5
97.02892	48.1
97.10151	15.2
99.04441	6.2
101.02358	11.1
103.03924	4.6
107.08588	11.8
109.02873	5.1
109.10143	17.2
112.56843	3.0
121.10169	27.8
121.10882	3.8
123.11727	3.5
127.03887	17.3
135.11676	22.2
149.13263	4.0
201.07458	3.7
210.84178	2.8
247.24197	3.5
265.25192	19.2
339.28937	70.1
409.29428	5.2
483.33151	14.5
488.55136	3.2
501.34158	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	501.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57096	0.9
55.05321	0.9
55.05522	14.6
57.03447	15.6
57.07085	22.2
57.23362	0.9
58.06816	1.0
60.82971	1.1
65.91493	1.0
67.05508	21.4
69.06732	1.7
69.07074	33.6
69.97385	1.1
71.04979	1.4
71.08632	19.7
75.04475	2.0
79.05504	9.7
81.07063	37.6
83.08165	1.4
83.08625	35.2
85.06589	1.4
85.10191	11.0
86.36303	1.2
93.07035	14.2
95.08604	44.3
97.06531	10.3
97.10174	27.9
104.80264	1.2
107.08604	11.2
109.10160	26.4
111.08101	6.6
111.11718	7.1
121.10137	20.0
123.04417	7.7
123.11703	10.0
125.09626	6.2
133.40540	1.1
135.11688	18.4
137.13274	4.6
139.03777	1.4
139.11197	6.6
149.13295	10.5
151.14752	1.2
153.12744	2.2
163.14767	2.6
167.14297	1.3
177.16458	2.2
181.16043	1.1
307.30051	1.3
317.28439	1.4
335.29321	2.0
349.52921	1.1
371.31555	26.6
409.33118	17.3
427.34253	20.5
445.59860	1.1
483.36804	25.4
501.37863	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	502.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66122	0.4
62.16870	0.3
69.03419	0.9
69.07063	2.3
85.02905	2.4
86.09706	100.0
95.17931	0.4
97.02889	0.6
127.03912	0.6
132.10204	67.2
170.03490	0.7
178.04941	0.5
208.46059	0.4
245.05370	0.4
250.74507	0.4
391.15799	0.4
391.22366	0.4
408.82663	0.6
440.86716	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00450	2.1
53.26152	1.8
54.36009	2.1
57.10818	2.0
57.38171	2.0
63.30330	2.0
63.95316	2.1
83.05004	2.6
95.08616	3.1
105.07021	2.6
121.06519	2.5
123.08054	2.2
131.08548	2.7
145.10014	4.3
147.07941	2.6
149.05890	2.9
149.09636	2.3
159.08067	5.7
161.09619	4.1
169.10175	3.2
171.07899	3.1
171.11615	2.8
173.09608	12.4
181.10173	4.3
183.11740	2.9
185.09659	5.6
187.07605	2.8
189.09064	4.8
192.09268	2.2
197.09608	2.8
197.13199	2.8
199.11206	13.8
207.11627	2.9
210.10318	3.9
211.11162	3.6
213.12724	3.4
215.10645	2.6
223.11116	3.6
223.14772	2.8
225.12762	5.1
227.10718	5.6
235.11111	2.3
241.12032	3.5
252.11232	2.8
253.12178	3.8
271.13235	2.6
283.17081	2.6
289.14325	100.0
293.15256	2.2
311.16385	12.4
329.17429	13.1
347.18491	9.1
371.18359	3.7
389.19507	10.5
442.50250	2.4
449.21753	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	502.293
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
51.23759	1.2
54.44059	1.5
55.01876	2.6
55.05505	7.2
57.03428	9.1
67.05504	31.3
69.07050	8.2
79.05502	18.6
81.07057	28.0
83.08598	1.9
84.47535	1.4
84.48124	1.7
87.81329	1.7
91.05481	14.8
93.07044	26.5
95.08608	23.2
97.06527	2.5
105.07037	6.8
107.08597	13.8
109.10150	9.2
119.08583	11.8
119.77888	1.6
121.10133	9.7
129.05467	6.7
131.08589	1.8
133.10135	7.8
135.11684	1.9
142.53247	1.7
145.10173	2.0
147.11606	2.1
148.04759	1.7
154.83745	1.5
159.11728	2.3
161.13226	2.5
163.49066	1.5
175.34766	1.5
193.17744	1.4
195.07460	1.7
283.72305	1.8
330.27777	6.0
361.27359	100.0
502.29059	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	502.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44731	8.0
55.05512	10.0
62.06080	51.0
63.36830	6.9
67.05500	45.7
69.07059	8.2
69.47743	8.3
79.05486	19.5
81.07059	33.7
86.09709	42.0
91.05484	19.7
93.07043	60.0
95.08625	37.7
95.99764	8.2
98.98459	13.3
102.54012	9.4
105.04502	7.8
105.07053	14.1
107.08610	12.5
121.10146	10.7
255.57452	8.8
330.27966	9.9
361.27310	100.0
484.28116	54.2
502.28189	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02959	2.6
66.81634	2.1
67.05496	4.7
69.03419	3.6
81.07050	26.8
85.02897	12.4
91.05466	3.4
92.17820	2.5
92.46961	2.7
93.07028	12.3
95.08595	54.0
97.02866	2.8
97.06519	6.4
97.10130	2.7
98.57331	2.2
103.63694	2.7
105.07027	18.5
107.04960	3.3
107.08583	31.8
109.10145	30.3
111.08079	4.2
119.08575	21.4
121.10160	22.6
123.11691	12.9
125.09621	12.0
131.08563	6.0
133.10133	20.4
135.11674	6.0
145.10103	19.6
147.11681	13.7
149.13246	16.7
149.14333	2.5
151.11130	10.4
159.11649	14.8
161.13235	34.3
163.14769	3.7
173.13208	35.8
175.14796	24.4
177.16422	18.2
185.13261	5.6
187.14838	15.4
189.16348	6.2
199.14835	5.6
199.36758	2.7
213.16389	12.3
227.17894	6.3
240.25775	2.7
269.22607	67.7
287.23685	100.0
305.24719	5.7
363.10147	2.7
387.07172	2.6
411.05420	2.5
431.27893	2.6
449.29086	23.5
502.34085	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	502.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20790	3.2
67.05500	3.6
71.78752	4.0
74.62581	3.4
79.05494	3.7
81.07057	38.8
82.55447	3.7
83.08625	3.7
84.73946	3.5
85.02898	23.0
91.05473	7.3
92.17859	6.3
93.07046	25.4
95.08606	75.3
97.10152	8.2
105.07037	18.3
107.08595	74.2
109.10172	41.1
111.08088	15.9
119.08572	20.1
121.10136	23.7
123.11701	21.8
125.09626	44.0
127.90849	3.2
131.08551	5.0
133.10115	27.8
135.11700	5.1
145.10110	18.8
147.11678	24.5
149.09645	3.2
149.13217	19.1
159.11714	14.8
161.13249	55.4
163.14821	29.5
171.11673	8.2
173.13219	25.7
175.14793	16.7
177.16380	74.6
179.14343	7.0
187.14810	18.9
189.16319	4.5
199.14815	23.1
199.18555	3.4
213.16362	13.0
227.17976	4.8
269.22629	93.1
287.23636	100.0
305.24747	14.4
413.26587	5.2
431.27982	5.2
449.29013	29.7
502.33194	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	503.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50165	1.4
51.10253	1.4
54.07581	1.9
54.30363	1.5
56.42232	1.5
64.06844	1.8
69.03424	3.0
72.93765	2.6
73.02902	3.2
90.94804	3.9
96.85672	1.8
102.03776	1.8
128.96361	2.5
132.95819	16.1
137.05984	43.7
137.06990	2.2
144.95879	8.0
146.97359	8.0
156.95795	4.4
158.97391	34.8
162.96861	2.1
168.95813	9.8
170.97356	7.6
174.96898	3.8
176.98470	10.0
186.96851	21.0
188.98454	3.8
194.97394	3.6
198.96896	30.9
200.98407	4.5
204.97949	25.0
208.98956	38.2
210.96895	4.6
212.98553	3.1
216.97905	31.1
222.96928	2.5
224.98439	4.2
226.99982	49.0
234.98952	100.0
242.99422	2.5
251.00012	30.5
261.99228	2.5
262.99933	14.4
269.01010	16.2
275.00140	2.2
277.00012	2.3
281.01013	8.0
283.03024	2.5
287.00018	11.6
287.02933	1.8
291.01431	2.6
293.01144	7.0
305.00970	17.6
323.35947	2.0
349.02008	13.4
371.04218	87.5
425.51764	2.1
503.01144	3.9
503.08453	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1525
Annotation	Sinocrassoside A1
Peak:m/z	Relative Intensity
80.02399	0.5
88.93051	0.5
93.63788	0.5
94.35534	0.5
104.26122	0.6
124.27430	0.5
131.08293	0.5
134.57614	0.5
137.05870	0.5
383.46005	0.6
503.15143	100.0
517.21179	0.5
517.92981	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	503.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59681	0.7
80.32992	0.9
83.29310	0.9
87.73379	0.9
92.94634	1.1
99.49774	0.8
106.16969	0.9
122.41523	0.9
155.03033	1.2
265.08392	1.8
309.11053	3.9
314.64267	1.0
472.27173	1.0
503.14810	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	503.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
84.95859	0.7
85.39305	0.6
95.52978	0.6
108.95494	0.6
117.15520	0.5
137.05948	1.5
148.45474	0.6
217.59435	0.6
251.38071	0.6
262.49237	0.6
333.76074	0.6
341.91635	0.7
427.49780	0.6
485.14148	1.2
503.15152	100.0
503.20703	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	503.1637
Annotation	Kopsimaline D
Peak:m/z	Relative Intensity
53.53834	0.5
62.22403	0.6
72.00486	0.6
77.29166	0.6
77.55283	0.6
82.47300	0.5
84.83469	0.6
85.08232	0.6
92.37426	0.6
98.97605	0.9
129.99847	0.6
140.90535	0.6
185.89265	0.6
198.63033	0.6
221.03493	0.9
221.06003	0.7
443.06085	2.9
503.16357	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	503.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63465	0.7
95.01099	1.5
113.02113	3.8
127.03672	1.9
135.88692	1.0
155.03127	10.2
172.98428	1.0
187.07195	1.3
228.01407	0.9
231.27420	0.9
503.15115	65.7
503.18802	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	503.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
57.01387	0.5
68.59008	0.5
69.03431	6.1
71.04995	0.6
81.03416	4.5
85.02892	7.3
85.16079	0.5
91.05473	55.2
95.04958	1.0
97.02872	6.6
98.97851	0.6
99.04467	2.1
109.02881	6.5
119.04928	21.1
119.07270	0.6
123.04417	7.0
127.03899	9.1
132.04439	61.4
134.09645	43.4
145.04956	1.2
147.04404	6.1
156.93452	0.6
158.52336	0.6
165.05490	0.7
253.99654	0.6
295.74142	0.7
318.22617	0.7
349.23401	0.7
354.15427	3.7
443.13675	0.8
503.20209	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	503.2064
Annotation	Artonin M
Peak:m/z	Relative Intensity
52.88271	0.6
60.80176	0.8
61.05523	0.7
69.19980	0.7
78.30598	0.8
81.03403	3.5
81.07068	1.0
87.60074	0.7
91.05453	3.8
93.07034	1.9
95.08584	0.9
105.07029	1.9
107.08593	4.1
109.10173	0.8
117.07004	1.0
119.04913	4.9
119.08537	1.5
130.04144	1.0
131.04907	1.9
133.10104	1.8
135.08046	5.7
137.05954	11.1
145.06522	0.9
147.04396	5.8
148.05254	0.9
151.07503	0.9
161.05920	1.0
161.09616	6.1
162.06734	13.9
181.10121	0.9
183.11665	1.0
197.09602	0.9
209.09599	3.2
221.13329	0.8
225.09068	5.6
237.09102	1.9
239.14265	1.9
247.07727	0.9
249.12791	0.9
252.11504	3.1
253.08585	5.2
263.10754	0.9
263.17963	3.3
265.08563	1.1
266.05789	1.1
267.10538	1.2
267.13739	20.1
277.12573	0.9
279.10532	0.9
279.13818	0.9
281.08060	4.9
281.11377	2.5
283.09644	1.6
283.20581	1.6
290.09344	0.9
293.11533	0.9
295.13269	40.8
295.16608	1.4
296.10144	0.8
307.13150	1.5
323.12802	9.9
325.14450	1.5
363.72510	0.8
394.44885	0.9
443.14886	1.4
485.19641	8.9
503.20621	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	503.2064
Annotation	Artonin M
Peak:m/z	Relative Intensity
53.59145	0.7
53.73717	0.6
57.24651	0.7
62.67725	0.8
66.98260	0.9
91.05447	1.6
92.18470	1.1
97.33936	0.8
100.11658	0.8
107.31789	0.9
113.05737	0.8
119.04921	3.5
125.05707	0.8
130.04129	1.6
131.04898	3.4
137.05972	9.1
145.06514	1.0
147.04402	7.5
151.07524	3.1
161.05995	6.2
162.06746	14.0
163.07533	0.8
177.05498	1.5
209.09566	1.4
224.11961	1.5
225.09048	6.1
237.09181	1.4
239.10741	1.2
239.14253	1.7
249.12796	0.9
252.11397	1.3
253.08546	4.5
267.10892	1.4
267.13760	17.5
279.13870	1.1
280.10861	1.2
281.08084	4.1
281.11548	1.0
283.09671	1.4
295.13254	38.6
296.10239	0.9
307.13007	1.2
323.12723	7.9
325.14343	1.5
443.14670	1.2
473.19720	1.2
485.19492	6.3
503.20593	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	503.2272
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
54.16415	0.5
64.99004	0.5
66.79168	0.6
70.25740	0.5
88.28957	0.5
89.43837	0.5
105.07082	0.6
109.06537	1.0
138.47116	0.5
146.47914	0.6
179.10735	0.8
181.06482	3.4
196.60210	0.6
201.08971	0.6
209.05983	6.6
221.09654	3.0
223.11127	1.0
225.05446	1.2
237.09189	0.6
239.10664	3.0
240.01750	0.5
240.07811	0.9
241.08554	4.4
243.06540	0.9
249.09001	0.8
251.10712	0.6
252.11555	1.0
252.79932	0.5
253.12268	1.2
257.07956	1.1
263.14163	0.9
267.10156	0.9
267.13751	0.8
268.10947	1.1
271.13223	0.9
280.11026	1.0
281.11728	2.5
281.15253	2.3
283.13232	15.5
283.16141	0.8
298.12158	0.6
299.12772	5.7
323.16470	3.3
326.15256	1.0
341.17471	100.0
458.30618	0.7
467.23041	0.6
503.21979	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	503.243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90671	2.7
67.05501	3.6
78.71303	3.1
79.05479	6.6
81.07049	12.3
91.05461	14.0
93.07011	12.0
95.08617	5.3
97.06561	3.6
103.05470	27.1
105.07004	4.8
107.08578	3.6
109.10168	4.5
111.97487	3.1
117.06986	4.2
119.08567	6.1
121.06488	15.2
121.10191	3.6
123.08054	3.9
128.06242	3.8
129.06995	15.7
131.04926	100.0
131.08577	14.3
133.10114	3.5
135.08058	4.0
141.07072	3.6
142.07771	4.7
143.08540	22.7
145.10120	6.3
147.07982	3.1
149.09622	7.2
156.09291	7.3
157.10115	5.7
159.08081	3.6
163.04480	3.1
165.07005	5.7
166.07726	6.0
169.10138	5.6
171.11658	6.6
179.08530	4.0
181.10106	20.2
183.11664	4.7
187.11156	4.9
193.10080	3.9
195.11646	7.2
198.10295	3.2
199.11147	42.5
206.00926	3.2
207.11670	3.9
210.10466	3.0
211.11107	3.5
220.12439	5.1
235.69116	3.4
246.73688	3.2
249.16582	3.5
251.14453	4.5
267.17447	3.4
274.08640	3.0
277.15802	15.3
295.16922	60.1
313.17923	19.2
327.64694	2.9
355.18985	11.6
414.60385	3.0
503.24033	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	503.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67532	0.9
55.05507	1.8
58.15219	0.8
67.05500	5.7
68.96292	0.8
69.03432	1.0
69.07037	1.0
71.39524	1.4
79.05498	7.2
81.03413	1.0
81.07070	6.5
83.08583	0.8
91.05466	5.2
93.07037	5.2
95.04959	4.2
95.08591	4.3
97.06561	1.3
103.05463	20.7
105.07014	9.3
107.04930	1.9
107.08579	5.7
111.04427	1.1
117.06969	3.3
119.08573	8.3
121.10138	1.5
123.08089	1.2
131.04921	100.0
131.08569	3.7
133.06526	1.2
133.10095	7.1
135.08022	1.1
143.08542	3.7
145.06479	1.0
145.10130	3.9
147.07948	1.0
149.09749	2.4
149.56226	0.9
155.08633	1.1
157.10152	1.3
159.08089	1.4
159.11665	3.3
161.09624	4.0
169.10081	1.2
171.11656	1.8
173.09576	1.1
175.07452	0.8
175.11208	1.1
181.10136	1.9
183.11777	1.3
185.13234	0.9
187.11163	1.0
193.10086	1.2
195.11679	1.2
197.13318	1.1
199.11086	1.4
201.12648	1.0
207.11765	1.5
209.13284	1.2
213.12566	0.9
214.69803	0.8
215.00227	0.8
267.17392	2.1
277.15808	1.2
295.16879	7.2
313.17813	3.9
355.18958	2.0
361.27594	1.0
362.27704	4.7
443.22272	5.0
461.23416	1.4
485.29004	2.1
503.24033	5.4
503.30173	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	503.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14948	0.4
53.03947	0.6
54.05951	0.4
55.98526	0.5
57.07397	0.5
67.05498	1.1
79.05108	0.4
79.05492	4.7
81.07047	1.2
83.05000	0.5
91.05457	0.9
93.07011	2.2
95.04969	2.0
95.08610	0.7
100.95152	0.6
103.04833	0.9
103.05470	21.9
105.07031	0.6
107.04951	2.3
107.08592	1.2
111.04456	3.5
117.07047	0.8
119.04977	0.7
121.06535	0.8
121.10117	0.7
123.08029	0.8
131.04922	100.0
133.06506	0.5
133.10127	1.0
135.04419	2.1
135.08093	0.5
137.09665	0.7
143.08536	2.0
143.13736	0.5
145.10164	0.7
149.09636	2.1
153.05449	2.8
195.11586	0.6
237.12616	0.6
253.15965	0.7
295.16681	0.7
309.18671	0.6
313.17987	4.7
331.19162	0.5
355.19083	5.7
423.75314	0.6
443.21985	5.2
470.60983	0.6
503.24271	10.2
503.33658	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	503.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70034	0.9
60.91070	1.0
75.09039	1.0
76.02911	1.0
76.83732	1.3
81.07030	1.8
86.09698	1.7
91.05466	1.9
93.07043	2.2
95.08611	2.6
103.05482	20.0
103.06136	1.9
105.07038	1.7
131.04922	100.0
136.44263	1.2
148.11015	1.2
163.01509	1.3
199.78146	1.4
207.11725	1.4
295.17023	2.4
319.21542	1.2
369.32285	1.3
473.70093	1.3
503.24155	23.4
503.32813	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	503.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49852	10.0
65.41686	8.9
69.07085	15.5
79.05505	16.0
88.13396	10.6
93.07009	51.1
105.07018	49.1
107.08588	17.7
109.06525	13.6
109.10168	21.2
117.07056	11.5
119.08596	100.0
121.10165	14.0
129.75037	12.7
131.04901	21.5
133.10158	27.0
143.08580	45.4
145.10088	47.6
157.10101	26.8
169.10092	47.5
171.11687	27.1
173.13126	12.6
183.11646	84.2
185.13156	15.0
187.14896	15.7
191.34483	11.5
193.10159	13.3
197.13251	20.9
206.10831	14.7
207.11728	22.6
209.13098	10.7
212.38997	11.1
220.12553	15.8
221.13235	26.6
233.13179	12.7
248.15590	20.0
263.17889	93.2
281.19064	98.2
299.20050	14.9
341.21149	25.7
350.21231	12.8
401.23221	14.1
456.42444	12.0
503.21204	11.0
503.29733	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	503.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
67.05507	3.7
77.26855	3.4
81.07048	17.2
91.05473	7.5
93.07050	40.8
95.04975	4.1
95.08585	13.7
105.07037	16.7
107.08590	13.1
109.06496	4.1
113.00069	4.6
119.08577	15.0
119.66969	3.0
121.10161	3.8
129.07025	5.7
131.08578	19.8
131.73642	3.3
133.10135	17.0
135.08029	3.8
139.71507	3.6
143.08595	25.1
145.10110	7.6
155.08539	17.8
157.10149	16.8
159.11639	5.1
161.09590	4.3
165.06929	3.5
165.12889	4.0
166.07845	14.1
167.08537	20.0
169.10121	26.9
171.11717	6.8
179.08572	16.7
180.09386	6.5
181.10127	77.7
183.11670	19.3
192.09274	5.4
193.10100	29.6
194.10986	13.5
195.11670	42.3
197.13196	6.4
199.14679	3.5
205.10078	4.2
206.10902	19.4
207.11691	27.2
208.12498	26.4
209.13158	4.8
211.14699	3.8
220.12524	6.3
221.13243	26.2
222.14034	4.6
223.14795	97.3
230.49820	3.4
233.13229	18.0
234.14099	4.5
235.14786	4.8
237.16658	3.8
239.14293	5.9
239.17879	4.3
240.15103	3.9
241.15813	27.7
248.15614	15.6
263.17926	100.0
281.18970	45.3
283.16980	36.1
323.20044	20.9
327.55777	3.1
383.22284	3.1
389.04086	3.7
395.16345	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	503.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
57.83079	1.8
60.05260	2.1
63.51278	1.9
67.05501	10.7
69.03423	10.2
69.07085	2.2
79.05484	9.7
81.03418	47.3
81.07062	18.4
91.05488	14.5
93.07040	58.8
95.04955	17.8
95.08604	17.9
105.07040	22.7
107.08585	48.5
109.06512	8.7
109.10133	14.9
111.08096	2.2
117.06986	9.8
119.04924	3.4
119.08585	35.6
121.06494	1.9
121.10118	19.2
131.04930	2.6
131.08562	4.9
133.06483	9.5
133.10121	41.2
135.08047	100.0
135.11656	8.3
143.08563	5.0
145.06447	15.4
145.10118	17.7
147.11679	9.1
150.21841	2.2
157.10104	10.1
159.11691	11.8
161.09599	95.1
161.13303	3.0
163.11179	15.3
169.10158	3.2
171.11667	11.1
173.13275	11.2
183.11617	3.0
185.09583	2.2
185.13226	4.6
185.24501	2.6
189.12703	3.1
195.11655	2.6
199.14926	2.9
201.12801	4.6
209.13226	2.7
211.14809	3.5
213.12642	2.4
223.14861	4.0
227.14352	2.5
241.15874	10.3
255.21069	3.7
265.19519	10.4
283.20541	60.4
343.22702	13.4
366.68182	2.0
388.02075	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	503.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38708	4.3
51.47878	4.3
55.05508	8.1
59.44811	4.5
66.27480	5.1
66.51804	4.5
67.05500	9.0
69.07070	8.9
79.05473	6.2
81.07052	11.9
83.04994	39.3
91.05479	21.6
93.07018	38.1
95.04935	17.4
95.08614	57.6
101.06020	12.5
107.08633	16.5
109.10163	10.9
111.28221	4.8
117.06988	6.8
119.08569	64.3
121.10111	8.9
129.07047	5.4
131.08635	9.1
133.10127	100.0
135.08043	5.2
135.11632	5.4
143.06982	8.3
143.08575	9.5
145.06566	6.7
145.10138	55.7
147.11693	11.6
155.08521	9.0
157.10127	31.9
159.11673	12.0
161.09549	5.7
163.11134	11.0
167.08556	9.2
169.10083	27.6
169.40948	5.2
171.11661	22.6
173.13280	7.3
181.10135	24.7
182.49487	5.1
183.11684	10.6
185.13364	9.9
195.11633	41.9
197.13193	10.0
209.13268	47.0
223.14801	33.6
234.63469	5.9
265.19559	48.1
283.20709	47.1
374.93076	5.0
389.13904	5.1
431.84686	5.9
494.38947	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	503.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33340	2.7
69.03426	16.0
69.07105	3.2
73.45978	3.1
79.05482	6.5
81.03421	44.3
81.07051	6.8
91.05486	6.2
93.07049	49.0
95.04958	24.5
95.08599	14.9
105.03391	4.2
105.07030	21.4
107.08587	30.8
109.06547	6.3
109.10138	5.5
117.07014	5.4
119.04961	4.3
119.08548	15.9
121.10120	12.6
122.26753	3.6
131.08577	8.4
133.06485	6.4
133.10114	35.6
135.08038	100.0
143.08575	4.3
145.10106	19.0
147.07945	4.1
147.11703	4.3
157.10146	4.6
159.11667	7.9
161.09616	84.4
163.11209	6.1
171.11719	6.0
173.13229	6.5
175.11203	3.7
183.11797	4.2
201.12653	4.0
209.13278	7.8
283.20541	53.7
343.22632	6.9
428.21335	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	503.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28701	2.9
55.05519	3.5
67.05503	8.6
69.03441	8.3
69.07053	8.2
71.08633	8.9
73.04678	3.2
75.19707	3.1
75.72314	3.4
79.05495	8.3
81.03425	47.4
81.07043	29.3
91.05470	21.6
93.07049	61.4
95.04983	28.3
95.08596	28.2
103.63667	3.7
105.07037	30.8
107.08588	47.8
109.06521	16.8
109.10149	5.1
113.00018	54.6
117.06993	4.8
119.04947	4.1
119.08565	20.9
121.06451	5.5
121.10142	30.1
123.08028	5.6
131.08600	13.1
133.06453	8.0
133.10136	48.2
135.08046	98.8
143.08591	6.0
145.06526	6.4
145.10172	33.5
147.11667	14.0
149.13272	5.7
159.08194	4.9
159.11703	9.0
161.09610	100.0
161.13306	5.4
163.11166	23.7
165.12750	44.9
171.11699	8.5
173.13263	8.5
185.13324	5.7
187.11212	3.5
191.14301	14.9
201.12772	4.9
202.56653	3.7
209.13225	4.6
220.80432	3.5
225.16327	4.0
227.14378	7.2
265.19452	4.0
280.63159	3.6
283.20468	46.1
301.21808	3.8
317.24677	22.4
343.22736	8.5
391.28369	73.4
444.88504	3.9
480.08151	4.0
503.27789	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	503.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67571	3.0
64.80111	3.0
66.32078	3.0
67.05499	5.8
69.03416	14.0
69.34579	3.2
79.05473	6.5
81.03411	44.4
81.07059	15.9
91.05497	4.0
93.07050	51.9
95.04957	17.6
95.08587	18.4
103.71112	3.7
105.07014	16.1
107.08582	34.2
109.06513	3.3
109.10180	11.4
119.08555	24.9
121.10136	16.1
131.08553	4.9
133.06512	4.6
133.10132	44.6
135.08043	90.0
135.09052	3.8
135.11632	3.4
143.08545	7.1
145.06468	6.3
145.10167	15.4
147.11687	8.0
157.10155	4.3
159.11693	6.6
161.09598	100.0
163.11201	13.4
173.13242	5.9
175.11139	4.2
175.14828	4.6
176.28226	3.3
185.13188	5.0
199.14876	4.5
201.12651	6.0
223.15312	3.4
265.19537	13.8
283.20529	52.5
300.27695	3.6
343.22821	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	503.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05539	3.7
60.20982	2.2
67.05508	11.0
69.03431	6.3
69.07064	3.5
79.05496	10.8
81.03422	22.4
81.07067	12.4
83.08640	4.5
89.09686	2.9
91.05492	16.3
93.07034	33.7
94.45364	2.9
95.04959	23.9
95.08620	18.4
105.07045	28.7
105.48931	3.0
107.08602	45.3
109.10197	15.7
117.07001	4.6
119.05011	10.0
119.08570	30.0
121.06498	4.9
121.10132	41.1
123.08093	3.4
129.07047	3.7
131.08617	12.8
133.06520	17.3
133.10123	70.7
135.08052	100.0
135.11705	14.2
143.08562	12.9
145.10167	16.0
147.08035	6.5
147.11720	11.8
149.09613	4.6
149.13330	3.5
151.11105	3.6
152.16269	2.6
155.08609	6.2
157.10182	11.1
159.08023	4.7
159.11751	13.7
161.09593	54.8
163.11232	13.6
169.10123	11.7
171.11685	21.0
173.13275	24.7
175.11237	3.1
183.11731	4.1
185.09703	5.0
185.13336	6.3
187.11243	6.1
197.09624	10.6
197.13268	11.9
199.11235	11.3
199.14915	10.1
207.11813	3.6
209.13277	3.5
211.11253	2.7
211.14932	13.9
221.13293	6.7
225.12820	5.1
235.15048	3.1
239.14360	15.0
253.19630	9.9
263.17947	12.7
281.18976	71.0
283.20416	8.7
299.20126	11.1
341.21222	4.3
401.23181	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	503.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17094	2.6
62.18765	2.8
64.07263	2.9
67.05514	10.9
69.03427	15.0
69.07042	3.3
78.44668	3.2
79.05495	7.0
80.46151	3.3
81.03426	55.7
81.07063	22.3
87.10344	2.9
91.05479	7.6
93.07049	71.7
94.41165	3.3
95.04961	24.6
95.08588	23.1
105.07035	25.6
107.08594	37.0
109.10162	18.3
117.06999	5.2
119.08577	27.2
121.10123	18.6
131.08548	6.2
133.06456	13.0
133.10144	44.5
135.08063	99.2
143.08539	7.2
145.06499	14.0
145.10139	22.7
147.11722	12.3
157.10104	7.6
159.08029	6.0
159.11720	5.8
161.09622	100.0
163.11183	13.4
171.11681	5.9
173.13289	5.7
175.11171	3.0
175.14842	3.4
185.13229	3.3
195.11714	13.0
201.12712	6.7
209.13283	4.9
213.12717	4.2
221.92479	3.0
241.15898	5.7
265.19522	16.5
283.20554	64.4
325.21835	4.1
343.22644	14.4
408.51318	3.5
417.89780	3.0
492.91122	3.4
499.22885	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	503.3004
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
55.05518	4.6
57.03440	0.7
57.07080	0.9
66.22292	0.6
66.90492	0.6
67.05504	2.9
69.03424	1.0
69.07064	3.8
81.07046	2.2
81.72038	0.6
82.15649	0.5
83.08593	3.6
93.07013	1.3
95.04955	0.7
95.08614	1.5
97.06534	1.0
97.10162	8.6
105.07011	1.3
105.25909	0.7
107.08628	4.5
109.10157	15.6
109.65537	0.6
111.04520	0.6
111.08096	0.8
119.08566	3.6
121.10132	0.7
123.04415	3.3
125.09619	5.2
127.11171	2.5
130.75395	0.6
131.08566	3.1
133.06511	0.9
133.10123	1.3
135.11699	7.1
141.12721	0.7
145.06516	0.6
145.10138	1.1
147.08023	2.6
147.11671	1.2
150.14633	0.6
151.03900	100.0
153.12738	4.8
157.10089	1.3
159.08058	9.2
159.11731	2.7
161.05949	2.6
161.09630	8.7
161.13303	0.8
163.11139	2.6
171.11668	2.7
171.13812	0.9
173.09686	0.8
175.11172	6.8
187.07550	14.8
189.09105	1.2
189.12746	19.8
191.10689	2.4
195.11694	0.8
199.11166	1.4
201.12825	1.2
213.12744	2.4
217.12212	8.5
241.12231	2.3
245.11644	6.1
315.16168	1.0
325.21786	1.2
341.17453	5.1
343.22629	18.6
467.27936	38.7
485.28845	5.6
503.29950	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	503.3003
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
52.25564	1.7
55.05514	4.6
62.48052	2.0
62.73981	2.0
68.23694	1.9
81.07050	8.9
83.04975	8.8
83.08584	2.2
84.82873	2.1
93.07024	8.4
95.04931	2.7
95.08604	4.2
105.07043	3.4
107.08587	4.0
109.06519	3.5
111.08067	8.4
113.06012	11.4
117.25508	2.0
121.10121	3.4
123.08044	2.6
123.32204	1.9
127.07558	2.3
133.10100	3.3
137.05989	2.9
137.09576	4.5
139.07570	2.8
143.08531	9.1
145.10149	10.8
147.08044	3.1
157.31638	2.1
159.11592	2.8
161.09634	3.9
165.09201	2.1
169.10097	2.3
171.07962	3.1
173.09586	28.1
173.13187	3.1
175.11241	2.6
175.14906	2.0
183.08124	2.7
183.10109	4.9
183.11641	2.2
185.13301	2.4
187.11221	2.3
191.10657	7.5
195.11772	3.4
197.13306	3.4
199.11256	2.6
204.32803	2.2
207.11664	4.1
209.13200	3.7
211.11290	1.9
213.12767	3.9
223.11235	9.2
225.12762	14.1
231.13850	3.5
235.14757	3.3
239.14192	2.3
247.14740	2.6
249.12650	3.5
255.17307	3.6
263.14261	12.3
265.15857	20.6
281.15314	9.2
283.16895	28.2
284.17838	2.6
285.18402	2.3
289.15802	2.4
293.18942	2.7
301.17914	42.5
311.20041	4.0
329.21170	3.5
339.95743	2.1
431.25586	8.6
449.26843	15.6
467.28061	22.0
485.28973	54.3
503.29996	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	504.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95045	0.4
52.76030	0.5
61.56229	0.5
63.82001	0.5
69.03425	2.4
71.04974	0.6
73.02916	0.6
76.99250	0.5
81.03418	2.1
85.02898	5.8
96.21191	0.5
97.02888	5.9
99.04445	4.1
103.05479	1.0
107.04362	0.5
107.04947	4.5
109.02874	16.3
117.09128	1.1
120.08095	100.0
127.03905	5.8
131.04918	26.1
133.59875	0.6
134.79182	0.6
145.04964	3.2
149.06007	3.3
185.43642	0.5
205.07053	10.7
324.14401	3.4
342.15305	6.5
352.16714	0.6
504.20853	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3084
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
50.46355	0.9
55.01867	1.0
55.05529	8.1
57.03434	6.6
57.07072	1.2
62.06106	1.2
66.52316	1.0
67.05170	1.5
67.05507	33.1
69.03413	1.2
69.07075	14.4
79.05503	14.9
81.03427	1.5
81.07056	32.2
83.08616	7.9
91.05464	8.8
93.07024	22.7
95.08605	26.5
97.06526	5.1
97.10162	2.6
105.07021	7.5
107.08584	15.8
109.10149	10.3
119.08576	5.3
121.10136	17.0
123.11700	2.4
129.05444	12.0
131.08585	4.9
133.10117	6.8
135.08102	1.6
135.11693	8.6
136.08379	1.1
145.10095	2.7
147.11647	1.8
149.13316	1.3
157.94566	1.3
159.11685	2.8
161.13150	1.4
170.79544	1.2
175.14767	1.3
230.24779	1.1
271.24133	2.6
282.43936	1.4
326.95099	1.3
332.29456	2.6
341.19785	1.1
363.28897	100.0
504.30902	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	504.3084
Annotation	Sulpinine A
Peak:m/z	Relative Intensity
51.30048	2.7
55.05503	4.6
57.03445	3.2
59.97477	2.4
62.06087	39.7
63.18110	2.5
67.05519	25.9
69.07050	14.4
72.26083	3.1
79.05479	16.9
81.07050	26.2
83.08620	3.9
91.05467	4.6
93.07050	27.0
95.08597	26.1
95.23937	2.7
97.06519	4.6
97.10136	2.8
98.98466	11.8
105.07029	10.8
107.08579	17.8
109.10165	4.5
119.08604	11.4
121.10138	15.5
128.38573	2.8
129.05457	12.7
131.08537	3.5
135.11662	10.7
143.17920	3.0
159.11685	3.7
203.62186	3.2
205.19391	3.1
216.06410	3.9
226.97249	2.7
289.25189	6.2
332.29489	15.2
363.28918	100.0
486.29849	38.6
504.30719	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29406	1.1
55.05515	5.3
55.78348	1.1
57.03438	1.6
57.07073	3.2
61.02923	2.0
67.05506	22.5
69.07066	5.6
71.04943	1.3
71.16600	1.5
71.77885	1.4
73.02907	1.4
79.05497	22.6
81.07066	34.7
81.09415	1.7
83.08604	1.4
85.02895	6.0
85.06510	2.0
91.05457	8.8
93.07040	33.3
95.08620	26.8
96.70892	1.3
97.02882	1.7
97.06526	1.8
99.08086	2.6
105.07022	5.8
107.08599	20.1
109.10149	19.0
111.08001	1.9
113.09660	1.5
117.07017	5.6
119.04962	2.6
119.08588	10.7
121.10146	30.7
123.11732	12.0
126.11131	1.3
131.08594	9.9
133.10133	15.8
133.39470	1.4
135.11694	32.2
137.05984	9.9
137.09554	1.4
137.13202	1.4
138.06323	2.0
145.10152	13.8
146.65125	1.4
147.04424	3.1
147.11661	6.3
149.13261	15.9
151.11040	1.5
159.11703	13.4
161.05966	2.4
162.06740	10.6
163.07147	6.1
173.13258	13.9
175.14807	2.2
178.70857	1.3
187.14830	2.2
209.09604	1.7
210.09990	1.8
215.17944	35.0
225.09102	2.3
226.09537	1.9
233.18983	40.4
253.08427	2.4
254.09061	1.6
267.13773	9.1
268.14099	9.0
276.70474	1.4
281.08032	1.7
281.11185	2.2
282.08539	1.6
295.13190	10.8
296.13580	24.8
307.22583	10.3
324.13141	5.5
325.23718	31.0
326.15015	1.4
366.14548	1.9
469.27917	2.8
486.19980	7.8
504.20953	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	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	64.6
79.05474	62.6
81.07044	56.4
93.07030	87.1
95.08594	26.9
99.86308	13.3
105.07014	22.8
107.08588	30.2
109.10132	20.9
117.07076	14.7
119.08569	17.0
121.10167	80.9
131.08548	28.2
133.68637	11.8
135.11681	78.8
145.10176	17.3
149.13228	55.8
159.11646	51.2
173.13217	18.0
212.71373	13.9
215.17935	97.4
233.18933	100.0
242.76331	14.2
247.34753	13.6
325.23654	79.0
499.34116	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	504.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51218	16.1
57.07064	26.3
59.61925	16.9
79.60838	18.7
93.07052	22.9
95.08572	79.2
105.07018	18.9
119.08556	84.3
119.34534	19.1
133.10138	41.9
145.10204	71.7
167.08592	33.6
169.10214	20.7
183.11652	24.7
184.30544	21.0
195.11760	41.0
209.13162	62.6
220.05598	18.2
223.14804	27.4
265.19504	100.0
280.20343	18.3
283.20407	63.1
289.50812	21.2
291.86768	19.0
296.31665	19.4
385.27026	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	505.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71571	0.7
66.44959	0.6
67.16432	0.6
69.03423	5.9
71.04987	1.0
81.03423	6.3
81.41705	0.6
85.02889	4.4
91.05486	1.4
95.34054	0.8
97.02840	1.4
103.29847	0.6
105.07004	6.0
107.04899	0.7
109.02845	3.2
119.04934	4.4
122.03605	1.2
127.03900	1.7
130.05025	0.8
131.03365	0.9
131.04910	4.2
133.06483	11.1
137.05969	100.0
145.06441	1.6
147.04382	6.4
147.07661	1.2
149.05981	0.8
151.07530	36.7
161.05981	3.5
162.06718	0.8
163.07549	6.3
165.09122	4.5
169.06476	0.7
175.07533	4.4
177.05377	0.9
177.09003	0.9
179.07024	35.1
187.07561	0.8
189.09068	0.8
191.07002	3.0
193.08545	1.5
195.10068	1.0
199.07535	0.8
201.09125	1.0
203.06880	0.8
205.08560	1.2
219.10172	0.9
220.11104	0.8
273.11252	1.1
291.12332	1.2
297.11203	1.3
323.61743	0.7
343.15237	6.4
452.22458	0.9
504.23874	0.8
505.20776	4.4
533.64355	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	505.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90581	18.9
54.80219	18.7
64.76689	22.0
81.07057	21.4
87.49875	20.3
93.07051	37.3
95.04988	34.2
95.08611	25.4
105.07013	91.2
119.08569	48.0
121.06490	50.5
131.04938	30.4
133.06462	42.0
135.08052	31.1
137.05980	35.3
145.06471	26.8
159.08011	30.1
167.08545	30.6
173.92279	21.9
175.07469	31.6
185.09627	24.6
187.11177	29.8
279.13754	45.7
297.14975	37.3
311.16397	28.6
325.14194	43.2
343.15372	26.2
401.74921	24.7
445.18762	32.5
505.21344	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	505.222
Annotation	Lactucain A
Peak:m/z	Relative Intensity
56.99921	0.6
59.19818	0.6
61.96642	0.7
62.23339	0.6
70.52879	0.6
81.07043	0.7
90.30705	0.7
91.05479	1.2
91.87213	0.7
119.04945	3.1
121.06550	1.0
131.04904	1.6
137.05983	12.0
147.04401	4.0
147.08078	0.9
149.05853	0.7
151.07512	2.7
161.05957	2.9
162.06718	9.8
163.07462	1.0
165.09174	0.7
175.07497	0.7
179.06998	0.6
197.05978	1.1
209.06046	0.8
209.09566	1.3
211.11090	1.0
223.07637	0.8
225.09010	1.0
227.10568	0.8
235.11142	0.8
237.09180	1.1
237.12709	0.7
239.10678	8.2
253.12190	1.3
254.09302	0.7
254.12971	12.8
255.10139	3.7
255.13725	12.0
265.08618	0.8
267.10175	3.4
267.13855	2.7
270.27850	0.7
279.13763	2.5
283.09747	1.3
283.13211	4.0
284.10495	0.7
297.14810	22.9
309.10883	0.7
325.10815	1.1
325.14285	9.9
327.15707	0.8
337.14429	0.9
387.12234	0.9
429.16992	3.0
447.18246	0.8
487.20856	4.5
489.30627	0.8
505.22159	100.0
520.54254	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	505.2224
Annotation	Lactucain A
Peak:m/z	Relative Intensity
79.69860	1.3
82.98897	1.2
83.04972	1.4
88.11901	1.3
88.29263	1.5
95.15480	1.4
105.07020	2.2
116.70409	1.2
119.04943	1.9
125.24733	1.6
130.04129	1.7
131.04933	7.7
133.02901	1.7
133.06476	2.0
137.05986	27.8
147.04416	10.8
147.08066	2.9
149.05989	2.2
150.06700	1.5
151.07552	5.3
161.06004	5.8
162.06772	24.9
163.07515	5.3
165.05382	1.2
167.07033	1.5
175.07568	2.7
177.05450	1.4
177.09042	1.3
180.07759	1.6
189.27284	1.4
193.10103	2.4
195.08003	2.1
197.05966	2.3
197.09637	2.5
199.46652	1.4
204.68233	1.2
209.09570	2.2
211.11194	3.0
213.05486	1.7
213.09090	1.7
218.63895	1.2
221.09612	1.7
225.09145	1.6
227.10699	6.4
237.09068	3.0
239.10672	6.7
239.14296	1.7
241.08659	2.1
244.43253	1.6
248.24171	1.2
249.09177	1.9
251.10600	1.6
253.12247	2.3
255.10178	9.4
279.13751	1.6
281.11731	1.6
309.11206	1.7
321.90750	1.5
417.17007	5.3
435.18173	6.8
487.21292	10.9
503.42682	1.3
505.22238	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	505.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05449	0.9
98.09622	0.5
103.05491	0.9
105.07021	0.8
109.06490	0.7
109.10101	0.6
115.05462	0.6
119.04944	0.9
122.03642	2.6
123.08109	0.6
131.04913	6.9
133.06496	2.9
135.08069	1.1
137.05968	100.0
143.04895	0.5
145.06441	1.7
147.04419	0.7
147.08008	0.5
149.05962	1.2
151.07524	9.5
157.06407	1.1
161.05960	9.7
162.06760	0.7
163.07524	14.3
165.09178	0.8
175.07532	9.3
177.09116	1.3
182.13515	0.6
187.07521	3.9
189.09094	3.8
201.09019	1.1
203.10818	0.8
213.09212	0.6
237.09203	0.9
239.10681	0.8
245.09610	0.7
261.91541	0.7
265.08585	2.1
267.10144	1.1
277.12222	1.2
297.11133	5.3
299.12799	6.9
305.11664	0.8
313.14587	0.6
322.12018	1.0
325.14105	1.0
337.14502	4.3
349.14462	0.9
351.15814	1.2
363.15820	3.7
381.16974	0.8
455.18555	0.9
475.21240	3.4
487.21072	8.4
505.22195	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	505.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77193	0.6
74.33466	0.6
74.64212	0.7
81.07036	0.8
91.05476	1.1
92.17979	0.9
94.04192	0.8
94.77940	0.6
95.04983	1.0
97.16283	0.7
103.05467	1.1
105.07050	2.4
109.06509	1.1
114.17236	0.8
119.04941	1.0
122.03652	2.7
129.06932	0.9
131.04927	6.8
133.06467	3.0
135.08083	1.4
137.05980	100.0
145.06512	1.5
147.08109	0.7
149.04808	0.7
149.05986	1.0
151.03889	0.9
151.07512	9.6
159.08026	1.3
161.05962	11.0
163.07535	13.9
171.08070	1.0
175.07561	10.2
177.09091	1.3
179.07179	0.7
179.08580	0.8
183.07985	1.0
187.07545	3.8
189.09117	3.1
193.10071	0.8
201.09154	1.4
207.11855	0.7
239.10733	0.9
253.12155	0.9
265.08780	2.6
267.10135	1.2
277.12576	0.8
297.11316	3.8
299.12756	5.3
305.11835	1.0
322.11935	1.5
325.14310	2.9
337.14426	4.4
339.15671	1.0
343.15158	0.8
349.14267	1.4
351.16049	1.0
363.16058	2.5
381.16962	1.3
385.16351	0.9
475.21387	1.4
487.21341	8.0
505.22089	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	505.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.6
60.42773	1.6
63.89986	1.5
67.05489	2.4
69.03448	1.9
69.07074	3.2
79.05444	1.8
81.07053	6.9
83.04967	3.7
91.05478	8.0
92.17841	2.5
93.07024	10.8
93.52146	1.9
95.08611	9.4
97.06525	21.3
105.07007	14.5
107.08595	15.0
109.06504	3.5
109.10133	2.9
110.69376	1.7
111.08105	3.6
119.07850	1.8
119.08571	15.4
121.06485	9.0
121.10117	8.5
129.07040	2.5
131.08578	10.4
133.06558	1.9
133.10135	11.4
135.08113	1.9
137.05936	2.7
137.09705	2.0
141.07028	2.7
143.08554	13.4
144.09337	2.8
145.06490	2.5
145.10139	15.6
147.08040	10.7
147.11630	7.1
155.08546	20.7
156.09377	13.2
157.10100	18.6
159.08049	2.8
159.11668	18.0
161.09607	3.4
161.13249	2.0
163.07529	3.1
165.09195	1.9
169.10101	14.3
171.11682	25.7
173.09645	2.7
173.13322	2.6
181.10176	6.5
182.11008	2.0
183.11670	30.5
184.12463	2.2
185.13272	2.5
187.11150	1.9
193.10167	13.7
195.11671	3.7
196.12434	13.0
197.09601	3.0
197.13271	29.5
199.11224	3.9
199.14864	2.7
206.10921	2.0
207.11690	16.6
208.12534	1.7
209.13307	3.5
211.11148	7.7
211.14732	2.8
213.16365	2.9
219.11684	3.8
220.12445	3.9
221.13269	3.3
223.14807	6.5
224.15742	7.4
225.12740	10.3
225.16373	8.1
234.14014	7.6
239.17934	89.0
249.16354	25.1
257.18848	2.7
267.17404	71.8
269.54446	1.9
285.18497	29.0
303.19754	2.7
327.19531	100.0
345.20627	3.2
505.27899	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13628	0.7
53.03945	2.1
55.01871	1.4
55.05516	11.7
57.03435	6.7
61.82157	0.7
62.96826	0.8
66.63131	0.7
67.05508	33.3
69.07076	8.7
73.06556	1.1
79.05493	59.0
79.33167	0.8
79.35043	0.8
80.14874	0.8
81.03406	5.4
81.07058	38.1
83.04994	11.0
83.08616	5.3
85.06534	1.6
91.05480	36.6
93.07041	69.6
95.04965	18.3
95.08596	25.6
97.06532	4.6
97.10161	1.3
99.08051	1.3
105.04498	1.9
105.07027	33.4
106.87960	0.9
107.04945	5.3
107.08594	14.3
109.06523	8.0
109.10137	4.5
117.06976	7.6
119.08576	19.1
121.06525	2.1
121.10164	3.8
123.08047	6.6
127.07569	0.9
128.06229	1.3
129.06993	13.5
131.08557	1.8
133.06499	1.0
133.10121	10.8
135.11720	1.4
143.08554	9.8
145.10103	11.3
147.08012	2.1
147.11681	35.6
153.98735	0.9
161.09648	3.6
161.13298	11.3
163.11171	1.3
171.11684	22.3
173.29095	0.8
173.54253	0.9
183.17525	1.2
189.12743	11.1
207.13805	21.0
225.14966	1.2
263.16431	1.3
281.17432	53.2
296.93436	0.9
415.92737	0.9
444.77814	1.0
469.29617	1.0
487.30508	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	505.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06999	12.5
52.38406	14.0
57.89849	13.2
81.03407	68.2
81.07058	35.6
91.05458	22.8
93.07034	35.4
94.06458	16.7
95.04956	26.3
95.08598	63.2
105.07058	31.1
107.08578	89.7
109.10138	26.3
115.22741	19.5
119.08576	28.5
121.10126	24.6
122.94875	16.0
123.61458	16.6
127.89057	23.1
133.10130	29.8
134.78798	17.3
135.08043	89.4
145.02879	29.5
147.11716	20.8
157.10016	23.8
159.11726	23.1
161.09607	100.0
171.11664	23.6
173.13159	18.7
177.05481	78.8
255.21129	18.9
283.20535	41.0
445.00223	17.4
505.38803	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75475	2.5
54.45392	2.9
55.05501	4.5
64.46906	2.7
67.05518	22.3
69.07076	26.6
69.57351	2.8
75.15900	3.0
76.27405	3.2
79.05514	4.2
81.07062	45.6
81.12255	2.9
83.08624	6.2
85.02905	2.9
91.05489	3.6
93.07029	14.6
95.08588	21.2
97.06483	3.9
97.10168	3.3
99.08083	12.7
101.20938	3.5
105.07018	6.8
105.35527	3.4
107.08599	43.6
109.06525	2.7
109.10149	61.7
119.08572	6.2
121.06468	3.9
121.10111	13.8
122.79883	3.0
123.08110	3.6
123.11729	5.8
125.09631	16.3
131.08565	5.0
133.10146	3.5
135.11729	4.7
137.05954	13.2
143.08609	3.1
145.10135	19.0
147.08084	4.8
149.13249	3.1
157.10066	6.9
159.11691	7.6
161.09627	5.3
167.93062	2.9
171.08032	3.2
171.11679	3.7
173.09607	16.7
173.13286	5.0
183.11649	6.1
185.11752	4.7
185.13297	4.2
189.09126	5.2
191.10619	11.6
193.10141	4.7
195.11624	6.1
197.13251	29.1
199.14845	6.4
207.11676	4.6
209.13202	5.7
211.11124	6.3
221.13176	4.1
223.11183	4.1
225.12701	18.2
231.13834	3.2
233.13278	3.7
237.12837	4.7
237.16185	3.0
239.14197	4.5
247.14821	4.5
253.19440	6.0
265.15866	14.6
267.17416	4.0
283.16983	32.5
284.99371	3.7
295.19989	3.2
299.16574	18.2
301.17929	94.7
321.18152	3.3
325.18164	3.3
327.19540	6.5
335.20038	5.8
339.19583	4.5
340.20029	4.6
341.21301	7.0
351.19247	3.8
353.21085	52.9
354.21924	13.4
391.26520	4.0
409.27359	88.0
427.28329	58.1
445.29401	11.9
451.28757	4.3
469.29630	33.9
487.30441	44.7
505.31677	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	505.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47694	0.5
55.01860	0.6
55.05514	0.8
55.17730	0.5
57.03444	0.7
57.07067	0.8
67.05490	1.1
69.07072	2.4
79.05481	1.1
81.07056	2.6
83.08600	2.8
84.39730	0.6
89.03907	0.9
91.05487	0.6
93.07037	1.3
94.89224	0.5
95.08616	1.4
97.10184	1.1
105.06940	0.5
107.08576	0.8
109.10133	0.9
117.03358	4.7
121.10155	0.7
122.02492	0.6
145.02841	45.7
149.05946	1.3
177.05455	100.0
186.05417	1.2
195.06403	0.7
208.78789	0.5
304.72821	0.6
392.09796	0.6
458.31137	0.7
465.59277	0.6
505.31415	20.9
505.38815	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	505.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
57.14057	1.3
59.05009	23.6
67.05483	2.3
67.11509	1.3
69.07054	8.0
71.01382	1.6
71.04989	7.7
71.07659	1.6
73.28350	1.5
79.05499	2.4
79.90636	1.7
81.07056	7.5
81.47984	1.5
83.04990	10.9
87.08100	7.1
91.05470	1.8
93.07043	12.4
95.04969	2.3
95.08592	8.7
97.02904	2.9
97.06490	12.3
105.07029	6.5
107.08584	3.7
109.06535	11.0
109.10201	2.0
111.08068	3.5
113.06034	6.9
115.07568	4.0
119.08588	3.9
121.06517	6.5
121.10165	1.8
123.08091	17.0
125.09644	3.6
131.08546	3.7
133.10132	3.3
135.11626	1.5
137.05991	6.5
143.08557	3.4
145.10164	8.0
147.11688	1.9
149.09590	19.0
151.11163	3.2
157.10193	2.0
159.10341	1.8
159.11661	7.0
161.09598	2.3
163.11192	3.6
167.10620	2.3
169.10094	1.7
171.08025	2.0
171.11765	1.9
173.09621	12.6
173.13280	14.8
175.11276	2.6
181.10098	2.2
185.09726	2.1
185.11710	6.2
185.13264	3.1
187.11295	2.1
189.09122	6.9
191.10680	10.5
195.11687	2.3
197.13222	1.9
197.30711	1.6
199.11124	3.0
199.14757	2.0
201.12724	3.1
207.13933	2.6
213.12663	13.0
215.14386	1.8
219.13875	2.0
221.13347	2.4
223.11211	1.5
225.12770	3.8
227.14236	2.7
231.13832	14.3
237.16289	3.0
239.14162	1.8
249.14920	6.7
253.15817	3.6
255.17377	3.9
265.15884	8.0
271.16879	6.6
283.16922	12.6
293.18866	3.7
299.16568	2.4
301.18008	59.3
303.19513	2.2
305.28207	1.8
311.19955	12.7
319.20126	1.7
327.19803	1.5
329.21130	6.8
331.22971	1.9
339.19937	1.6
347.22247	3.7
355.22763	8.2
360.35803	2.0
407.25732	2.3
425.27103	11.3
443.28082	7.2
451.28345	3.9
469.29489	23.7
487.30466	44.9
505.15707	35.1
505.31583	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	505.316
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
55.05511	5.9
63.48806	3.5
69.03442	3.4
69.07061	23.3
75.03427	4.0
81.07066	7.2
83.05016	4.8
83.08614	16.9
84.53452	3.3
92.18390	5.7
93.07040	7.2
95.08592	22.4
97.10165	7.8
105.07050	6.4
107.08572	8.3
109.10144	8.9
111.11704	16.7
113.15288	3.6
119.08575	4.4
121.10136	6.2
123.08007	4.7
123.11654	5.4
125.09647	6.3
131.08598	5.6
133.10162	4.5
139.11168	25.7
145.10078	8.6
151.03885	15.3
152.04240	9.0
153.04536	3.8
159.08061	8.0
159.11687	6.8
161.09566	4.2
164.13373	4.2
171.07915	4.6
173.09615	22.0
173.13216	4.9
185.11729	22.0
191.10645	21.7
191.14276	5.0
201.12669	4.2
205.08662	4.4
209.11635	9.2
227.14265	6.0
267.17361	5.4
281.15289	4.7
283.16937	5.9
285.18436	39.1
301.17984	14.6
303.19525	100.0
331.22714	6.4
353.17252	6.1
374.43735	4.3
428.74380	3.7
433.27216	5.1
451.28299	5.7
469.29361	55.9
486.80795	3.7
487.30536	89.2
505.21738	8.9
505.31323	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	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69094	1.0
51.26162	1.1
57.03436	1.9
61.02938	8.4
68.55869	1.2
69.03426	14.9
73.02928	2.3
81.03416	6.9
85.02904	100.0
86.03866	1.4
87.04443	1.2
91.03951	5.9
91.05479	6.7
97.02888	32.0
99.04445	5.7
105.07004	7.0
109.02855	9.4
121.01702	1.3
124.05216	9.6
127.03914	27.1
133.06490	9.0
137.05978	38.4
145.04958	31.9
163.05983	11.4
165.09105	94.0
177.09166	1.5
291.12238	2.1
319.84286	1.2
325.11224	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	506.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.1
72.04498	0.6
77.17994	0.4
78.25343	0.5
79.05471	0.7
81.03399	1.8
91.05475	44.6
95.04942	2.7
103.05464	0.7
105.07055	3.3
117.07000	1.8
119.04945	8.8
128.06097	0.4
129.06990	0.7
131.08502	0.6
134.09650	32.0
138.55975	0.5
141.06992	0.8
142.07751	0.7
143.08528	2.8
145.06461	1.7
153.05817	0.5
153.06966	3.0
155.08542	29.2
157.10129	0.6
164.10634	0.5
165.05705	0.8
165.06973	6.2
166.07802	2.5
167.08546	10.2
168.09137	0.5
169.10106	9.7
178.07762	4.3
179.08531	19.9
180.09293	8.1
181.10098	10.2
189.07019	0.8
190.07715	0.6
191.08499	3.2
192.09331	12.1
193.10123	12.9
194.09123	0.8
194.10893	21.5
195.08060	2.5
195.11690	8.8
197.13235	1.1
202.07739	0.8
203.08562	7.0
204.09340	18.7
205.09967	0.6
206.10867	3.6
207.11696	6.9
208.09439	0.9
208.12465	2.7
209.09630	0.7
209.13239	17.9
210.11246	34.3
211.11154	0.9
219.11673	25.9
221.09720	0.6
221.13217	4.3
222.10349	12.3
235.11116	0.9
237.12700	15.2
239.14297	0.8
251.14374	1.9
255.13678	0.5
279.13806	1.8
281.15320	0.8
297.14679	4.6
298.70544	0.5
308.92245	0.5
353.17908	0.5
446.23212	0.8
470.63049	0.4
488.24152	1.0
506.25333	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	506.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20488	0.6
52.25816	0.6
54.15514	0.7
57.30480	0.8
59.70198	0.7
69.03407	1.0
69.55425	0.7
74.25449	0.7
79.05453	1.0
91.05482	66.0
103.05480	1.5
104.36526	0.9
105.07025	1.4
107.04928	0.9
117.07000	0.8
119.04933	14.9
129.07021	0.8
131.08574	3.4
134.09656	40.4
143.08586	1.4
145.06448	1.2
148.11209	1.2
155.08562	1.6
157.10101	2.9
158.10910	1.0
159.08012	1.3
164.10625	1.0
165.06963	7.2
166.07806	3.0
167.08566	14.7
168.09367	2.9
169.10118	5.0
173.09624	0.9
178.07724	1.1
179.08553	19.9
180.09328	10.9
181.10115	16.6
183.08006	1.2
193.10132	5.0
194.10884	25.9
195.08076	7.6
195.11671	13.1
196.08832	4.3
197.09682	1.3
197.13261	1.0
204.09361	8.2
207.08029	6.2
207.11739	1.5
208.08955	5.0
208.12544	1.0
209.09589	3.7
209.13254	34.9
210.11259	66.4
211.11154	1.8
219.11707	11.4
221.09546	1.4
222.10384	24.7
224.94717	0.8
225.12712	1.4
227.14279	1.2
237.12735	68.0
255.13803	6.7
297.14880	6.1
299.16534	1.1
362.64673	0.8
446.23456	3.1
506.25366	100.0
532.86395	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	506.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88824	1.0
61.63942	0.9
79.05507	1.3
91.05476	60.9
103.68018	1.1
105.07011	1.4
107.04953	1.6
117.06994	2.2
119.04933	16.8
129.07024	1.0
129.19879	1.1
131.08572	2.3
134.09642	40.0
143.08551	1.7
145.06517	1.6
148.11255	1.6
155.08490	4.2
157.10094	2.5
159.08018	1.4
165.06985	10.2
166.07748	1.3
167.08537	18.0
168.09296	2.0
169.10077	5.4
178.07704	1.1
179.08537	21.0
180.09254	9.8
181.10124	17.9
183.08031	1.3
183.11751	1.3
193.10133	2.6
194.10852	23.4
195.08054	5.7
195.11697	10.1
196.08821	4.2
197.09610	1.5
197.13223	2.0
204.09274	5.3
207.08005	5.4
207.11784	3.7
208.08823	2.3
208.12468	2.5
209.09741	2.4
209.13239	35.4
210.11241	54.0
210.13228	2.0
211.11206	1.4
211.14780	1.7
214.49712	1.1
219.11671	7.0
221.09758	1.3
222.10367	22.5
225.12920	1.1
237.12692	50.0
255.13799	7.0
297.14859	5.5
299.16446	2.5
361.07587	1.1
506.25299	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	506.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.9
72.04499	0.8
77.99072	0.5
79.05488	0.7
81.03402	2.8
85.13847	0.5
91.05481	40.6
95.04946	2.6
103.05455	0.9
105.07025	3.6
119.04929	9.4
119.08512	0.7
120.98827	0.6
129.07047	1.2
134.08617	1.0
134.09651	28.3
143.08557	2.1
145.06468	0.8
153.06975	2.7
154.07835	0.6
155.08545	27.6
165.06976	5.9
166.07753	2.3
167.08553	11.1
169.10132	9.2
178.07718	4.2
179.08546	19.5
180.09271	6.7
181.10120	9.6
189.06969	1.0
190.07774	1.0
191.08557	2.3
192.09311	10.3
193.10126	13.1
194.10905	20.4
195.08029	2.9
195.11731	9.3
197.13161	0.7
202.07730	0.7
203.08514	7.2
204.09352	17.5
206.10876	4.1
207.08012	0.6
207.11736	6.1
208.09242	0.8
208.12463	2.0
209.09706	0.9
209.13237	17.3
210.11243	32.8
211.11206	1.3
218.11017	0.7
219.11678	24.5
221.13219	3.9
222.10384	11.7
235.11049	1.3
237.12712	14.0
239.14259	0.7
279.13849	0.7
281.15347	0.7
297.14896	4.3
328.39630	0.7
329.06421	0.6
339.22723	0.6
488.24185	0.9
506.25333	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	506.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44489	0.7
67.05487	2.9
81.03400	1.3
91.05477	40.1
95.04945	2.9
105.07029	1.7
117.06964	0.8
119.04922	7.9
129.07001	1.4
134.09651	28.0
143.08557	2.8
153.07016	1.0
154.07851	0.9
155.08539	26.3
165.06947	5.2
166.07719	1.6
167.08533	9.3
168.46820	0.7
169.10115	9.2
178.07797	3.6
179.08554	19.8
180.09344	6.3
181.10086	9.5
184.54865	0.7
188.70029	0.8
189.07005	1.4
191.08533	3.1
192.09280	11.5
193.10098	11.5
194.10905	21.2
195.08067	1.3
195.11676	8.9
203.08549	4.9
204.09354	20.5
206.10873	3.8
207.11690	5.5
208.12460	1.0
209.09610	1.0
209.13239	18.5
210.11230	30.2
211.11211	1.5
218.10889	1.1
219.11656	22.0
221.13210	4.2
222.10403	11.5
225.12831	0.7
228.30365	0.8
235.11191	2.7
237.12675	13.6
251.14433	0.8
267.45474	1.1
279.05106	0.8
297.14886	3.4
446.23209	1.2
506.25345	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	506.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95563	0.7
56.16061	0.8
67.05516	2.8
81.03413	1.0
91.04905	1.5
91.05477	43.4
95.04942	1.6
103.05453	0.9
105.07030	1.9
106.53915	0.7
112.70518	0.8
119.04911	9.7
134.09647	31.3
143.08574	1.8
145.06506	1.1
152.06276	1.0
153.07011	1.2
155.08554	27.7
165.06963	6.0
166.07727	1.6
167.08527	11.4
169.10080	7.3
178.07771	4.1
179.08534	19.7
180.09326	7.1
181.10101	11.2
191.08524	4.0
192.09282	10.2
193.10088	13.4
194.10904	20.9
195.07983	1.5
195.11674	8.3
197.13329	1.2
203.08560	6.7
204.09344	20.4
206.10884	1.5
207.11676	7.8
208.09665	1.8
208.12445	0.9
209.13248	17.8
210.11249	37.3
211.11174	1.5
219.11673	25.4
221.13260	6.3
222.10355	11.5
235.11191	1.3
237.12709	15.7
253.12354	1.0
279.13797	1.4
282.02774	0.8
297.14932	3.2
326.21332	0.8
327.55688	0.8
420.44507	0.8
488.24139	1.4
506.25360	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	506.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20488	0.6
52.25816	0.6
54.15514	0.7
57.30480	0.8
59.70198	0.7
69.03407	1.0
69.55425	0.7
74.25449	0.7
79.05453	1.0
91.05482	66.0
103.05480	1.5
104.36526	0.9
105.07025	1.4
107.04928	0.9
117.07000	0.8
119.04933	14.9
129.07021	0.8
131.08574	3.4
134.09656	40.4
143.08586	1.4
145.06448	1.2
148.11209	1.2
155.08562	1.6
157.10101	2.9
158.10910	1.0
159.08012	1.3
164.10625	1.0
165.06963	7.2
166.07806	3.0
167.08566	14.7
168.09367	2.9
169.10118	5.0
173.09624	0.9
178.07724	1.1
179.08553	19.9
180.09328	10.9
181.10115	16.6
183.08006	1.2
193.10132	5.0
194.10884	25.9
195.08076	7.6
195.11671	13.1
196.08832	4.3
197.09682	1.3
197.13261	1.0
204.09361	8.2
207.08029	6.2
207.11739	1.5
208.08955	5.0
208.12544	1.0
209.09589	3.7
209.13254	34.9
210.11259	66.4
211.11154	1.8
219.11707	11.4
221.09546	1.4
222.10384	24.7
224.94717	0.8
225.12712	1.4
227.14279	1.2
237.12735	68.0
255.13803	6.7
297.14880	6.1
299.16534	1.1
362.64673	0.8
446.23456	3.1
506.25366	100.0
532.86395	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	506.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42707	0.7
67.05494	3.3
74.86693	0.8
79.05476	1.2
91.05479	49.3
92.18504	1.8
95.04947	1.4
105.07000	3.8
107.04952	1.1
117.07007	1.1
119.04952	8.4
129.07013	1.1
134.09657	33.4
135.12543	0.9
143.08502	1.0
153.06998	3.3
155.08560	30.0
155.09831	1.1
156.59349	0.8
165.07005	6.3
166.07626	0.9
167.08557	10.9
169.10133	10.3
169.39447	0.8
178.07774	4.2
179.08546	21.4
180.09312	7.7
181.10097	8.9
189.07014	1.3
190.07834	0.8
191.08530	3.4
192.09323	12.7
193.10110	13.2
194.10924	23.0
195.08102	1.6
195.11694	10.1
197.13289	1.2
202.07776	1.0
203.08533	8.9
204.09346	22.1
206.10939	5.5
207.11697	7.7
208.09381	1.8
208.12483	1.8
209.13254	20.3
210.11243	37.4
211.11160	1.6
211.14711	1.1
219.11656	28.7
221.13234	6.3
222.10393	13.6
225.12723	1.3
235.11086	2.8
237.12750	18.1
239.14288	1.1
281.15179	1.1
297.14807	3.5
446.23553	1.4
488.24374	1.4
506.25363	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	506.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.1
69.13986	1.0
72.04522	1.1
72.33604	1.0
91.05481	61.6
103.05479	1.2
105.07029	1.3
107.04961	5.5
117.07047	1.4
119.04912	12.1
131.08556	1.7
133.08823	1.3
134.09656	41.3
143.08571	2.6
144.19315	1.1
155.08537	4.6
157.10094	2.4
165.06953	9.2
166.07677	1.8
167.08549	17.7
168.09317	2.0
169.10103	4.8
171.10078	1.2
171.11646	1.2
179.08545	19.0
180.09247	11.6
181.10104	13.0
183.08101	1.1
193.10112	4.8
194.10866	21.3
195.08028	7.5
195.11699	14.9
196.08768	2.0
197.13252	4.6
203.08763	1.2
204.09372	5.2
207.08020	4.7
207.11668	2.0
208.09160	1.0
208.12439	2.7
209.09868	3.4
209.13213	34.7
210.11246	53.6
211.11223	2.2
219.11676	6.3
219.31471	1.1
221.09682	1.6
222.10374	22.7
225.12698	1.6
237.12747	50.1
255.13792	8.6
297.15005	5.4
299.16351	2.0
467.12354	1.3
506.25317	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	506.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45389	0.5
67.05486	2.7
79.05477	1.0
81.03386	2.6
85.95918	0.6
91.05477	42.7
95.04984	2.4
103.05464	1.0
103.06102	0.6
105.06995	3.5
117.06992	1.4
119.04929	9.8
121.06509	1.0
131.08635	0.6
132.08096	0.7
134.08632	1.3
134.09650	31.1
139.58612	0.8
141.07066	0.9
143.08537	1.1
153.06946	1.2
155.08542	28.0
157.10083	1.2
158.05276	0.6
165.05545	1.1
165.06969	6.4
166.07733	2.5
167.08572	11.8
169.10121	11.3
177.36343	0.6
178.07701	4.6
179.08557	18.9
180.09358	9.7
181.10094	11.3
183.11639	0.7
190.07845	0.7
191.08514	2.5
192.09328	11.7
193.10114	12.8
194.10910	18.7
195.08008	1.3
195.11656	8.7
197.13203	1.1
203.08545	6.9
204.09340	21.0
206.10918	3.0
207.11671	5.6
208.09700	2.6
208.12463	1.1
209.13252	19.2
210.11250	36.9
211.11148	1.4
218.10915	0.8
219.11670	25.8
221.13260	4.9
222.10403	13.5
225.12582	0.7
235.11250	2.3
237.12737	14.8
238.52652	0.7
238.55322	0.6
251.14127	1.0
281.15323	0.8
297.14816	3.8
361.11481	0.6
402.47351	0.7
446.23309	0.8
488.24127	1.0
506.25314	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	506.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26578	3.9
52.08707	4.4
54.31262	3.9
56.16841	4.3
56.86793	3.8
61.12169	4.7
63.78135	4.4
79.05424	5.6
79.46588	4.2
79.77589	4.5
81.07057	6.7
89.82696	4.8
93.07049	10.8
95.04926	7.5
95.08620	6.3
107.08578	8.7
109.09352	4.6
109.10136	12.1
119.08560	39.3
131.08589	5.4
133.10132	100.0
135.08049	8.2
145.10103	58.3
147.11703	8.8
157.10168	7.7
159.11650	11.2
163.11179	9.6
169.10136	7.7
171.11617	18.5
183.11690	10.0
185.13283	6.9
195.11667	21.9
197.13264	11.3
208.12538	7.3
209.13268	25.4
223.14832	21.5
265.19464	87.9
325.21808	5.5
340.16208	11.2
385.23624	32.9
409.74194	5.2
506.22491	25.5
506.30600	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	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91618	1.4
55.05507	10.9
57.03434	8.6
61.63886	1.5
63.33838	1.7
65.11077	1.7
66.48991	2.0
67.05502	21.2
67.52794	1.4
69.07067	23.3
70.10264	1.5
71.08640	1.5
81.07059	26.1
83.04991	1.8
83.08609	10.4
93.07047	3.3
95.08598	24.0
97.10174	3.9
105.07076	1.9
107.08595	6.6
109.10146	11.3
111.08058	1.7
119.08573	2.1
121.10126	3.3
123.11704	6.4
179.88336	1.7
274.50620	1.8
318.40460	1.7
365.30508	100.0
494.45374	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	506.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69398	3.1
51.40849	2.5
55.05497	4.6
57.03439	5.3
57.07081	14.4
57.98132	2.5
67.05511	61.2
69.07057	18.5
71.04962	4.1
71.08631	5.5
79.05488	21.0
80.47294	2.7
81.07065	82.9
83.08601	15.5
85.02884	2.9
85.06517	5.7
86.09700	6.8
91.05482	6.3
93.07021	16.4
95.08604	84.2
97.06529	5.6
97.10169	12.3
99.08092	16.1
104.10734	13.9
105.07015	13.1
107.08582	17.0
109.10139	35.5
113.09643	4.3
119.08574	25.8
121.10145	24.4
123.11694	21.3
133.10107	38.2
135.11681	19.0
135.58978	3.1
137.13245	18.5
147.11688	18.7
149.13269	4.9
151.14853	14.4
161.13228	26.3
175.14868	5.7
184.07317	20.4
191.18004	3.1
217.19485	67.4
235.20529	100.0
279.20129	3.0
309.24249	48.5
327.25293	26.8
471.29242	5.9
506.31491	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	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15837	2.7
61.45936	3.1
64.08981	3.2
67.05482	4.5
69.07070	7.2
78.61208	3.8
79.05501	5.0
81.07051	30.2
85.04169	3.1
92.38832	3.5
93.07047	7.3
95.08608	34.4
105.07008	14.8
107.08604	31.9
109.06476	4.2
109.10149	25.4
111.11762	3.4
113.00020	8.0
119.08551	19.0
121.10150	27.5
123.11703	68.5
125.09628	4.7
130.73553	3.3
131.08575	6.7
133.10097	19.4
135.11630	4.1
137.13271	23.3
142.20724	3.9
145.10083	11.3
147.11703	24.0
149.13217	5.0
159.11603	3.9
161.13251	17.4
163.14804	14.2
171.11548	4.5
173.13315	5.3
175.14888	3.8
177.16379	14.1
187.14795	19.7
191.10742	4.2
197.13380	3.8
203.17937	75.1
205.15907	7.8
221.18918	35.5
229.15901	6.8
231.17403	15.3
233.15340	5.7
238.21710	14.4
249.18442	41.2
250.18063	35.2
251.16441	8.2
256.22678	100.0
363.28821	15.0
435.23953	3.5
435.32510	17.6
453.33759	7.6
471.34842	8.0
506.38260	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1498
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.54621	0.2
53.86031	0.2
61.19338	0.2
63.51366	0.2
67.10050	0.2
131.04773	0.3
137.05975	0.6
168.09389	0.3
175.07445	0.3
176.93056	0.3
255.06561	0.4
256.07294	0.7
284.06775	12.4
299.05435	6.5
300.06348	0.5
301.07065	1.3
311.05490	1.3
312.06229	2.9
315.04974	7.0
329.06500	4.2
330.07361	1.8
345.09656	100.0
507.14844	3.9
507.21716	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	507.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04371	2.7
60.09496	3.1
62.41761	3.2
64.38447	3.1
67.49478	2.5
75.68204	2.7
81.07056	3.4
83.04967	4.0
84.19411	3.2
91.05467	4.6
93.07080	4.7
95.04952	19.6
98.07600	3.2
105.03398	100.0
105.07034	13.9
109.06523	7.0
113.05984	5.7
115.05450	6.7
117.07019	20.6
119.04938	7.3
123.04423	18.7
123.20815	3.3
129.07005	11.3
141.07007	5.3
143.08546	5.0
145.06505	28.0
159.08177	5.2
167.08568	4.4
179.08627	6.3
181.10097	6.7
183.08069	12.4
192.09276	3.4
193.10139	15.0
194.11029	5.3
195.11681	13.1
204.09317	6.8
207.11685	5.9
208.08893	4.7
209.09714	4.5
209.13216	13.5
219.11693	7.3
221.09589	3.6
223.11099	5.9
233.48752	3.8
235.11157	15.5
237.12733	19.2
239.10611	4.6
241.12198	6.8
253.12227	18.4
265.12186	24.5
283.13394	4.9
297.14847	4.9
307.13351	3.3
324.27200	3.6
325.14313	60.9
385.16452	5.8
462.93631	3.7
507.20193	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2011
Annotation	Methylrocaglate
Peak:m/z	Relative Intensity
53.37119	0.8
54.80581	1.2
54.93087	0.8
60.67916	0.8
70.31461	0.8
81.07063	2.2
91.05464	7.3
93.07056	1.2
95.08567	1.3
103.05455	2.2
105.07038	1.1
109.06534	1.1
111.04420	1.7
115.72198	1.0
119.04920	4.3
121.06482	1.4
122.03638	5.2
125.05956	1.8
129.06975	1.7
131.04926	12.4
137.05969	100.0
138.34256	0.9
149.05978	3.9
151.07538	16.1
153.05464	4.9
161.05978	9.2
163.07538	11.4
175.07526	15.9
177.05495	1.2
178.46275	1.0
187.07587	3.7
193.06520	1.9
195.08128	4.8
209.09769	1.2
210.06865	1.0
210.11346	1.3
221.05978	10.0
224.08203	1.5
225.09126	9.6
227.10641	4.2
235.07356	0.9
239.10767	1.3
251.10667	5.7
252.07785	1.3
253.08542	13.9
255.10193	1.2
267.10156	8.6
279.10095	1.9
285.11145	23.2
287.12833	8.8
291.10428	1.4
305.11655	1.6
310.97568	1.1
311.12781	3.6
311.35745	1.0
323.12589	1.4
337.14252	8.2
355.15399	7.9
365.13867	5.6
371.14850	1.5
383.14740	6.7
461.19293	2.0
471.18036	1.8
489.19043	13.3
507.20007	25.6
507.27246	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	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91620	0.9
55.05524	1.0
66.73928	0.9
73.08931	0.9
79.05486	1.2
83.04958	5.1
91.05489	4.5
91.37679	0.9
93.03392	1.4
93.07027	2.0
95.08617	1.6
103.05423	4.2
105.07018	4.5
109.06547	1.2
111.04438	1.1
114.50620	1.0
119.04934	1.6
121.06500	5.5
122.03626	4.9
125.05979	6.0
131.04906	24.2
133.06477	2.4
133.10114	1.6
137.05971	100.0
143.08485	1.0
145.06432	1.0
145.10077	2.4
149.05983	5.2
151.03775	1.2
151.07558	10.7
153.05466	6.6
161.05939	19.1
161.09554	1.3
163.07507	11.6
165.06987	1.3
165.09067	1.1
167.08534	1.0
175.07526	22.3
181.10068	1.3
187.07515	9.3
189.09053	1.4
191.07010	1.5
193.06502	8.6
195.07985	1.9
197.09618	2.0
197.13232	1.4
201.09109	1.6
207.11653	1.6
209.09587	1.7
210.06741	1.9
221.05969	18.1
223.07664	1.0
225.09111	14.8
225.12675	4.0
227.10651	1.8
235.11235	1.5
238.06245	2.4
239.10747	3.9
247.09663	1.7
249.20227	1.0
249.23578	1.2
251.10704	2.5
253.08597	27.1
253.12196	3.8
255.10132	2.0
267.10080	12.4
267.12820	1.2
270.08936	4.0
271.13361	5.1
285.11188	43.9
287.12769	2.2
291.09927	1.6
293.11505	1.1
305.11743	1.5
311.16339	2.2
337.14328	10.1
347.12534	1.3
350.15063	1.1
355.15384	8.4
365.13803	9.2
383.14658	9.9
471.17389	1.3
489.18851	15.1
493.28799	1.1
507.19989	24.6
507.26663	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	507.234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34324	5.2
61.92455	5.4
71.92759	4.9
74.08897	5.2
82.56949	5.0
84.04499	31.5
91.05466	7.9
98.80419	4.8
103.05498	5.9
107.04951	13.3
119.04993	17.2
130.04982	77.5
131.04889	11.8
137.05978	55.0
147.04353	12.1
147.07635	100.0
151.07588	19.5
161.05977	81.8
161.09621	13.0
162.06683	7.5
163.07536	77.8
175.07550	11.1
189.09084	62.1
207.10150	42.7
261.49823	5.4
284.92432	5.8
285.11047	7.8
311.12912	11.7
331.15359	53.5
343.15387	6.6
507.23120	12.3
514.28113	5.9
520.56305	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	507.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71846	1.0
51.87692	1.0
55.05509	6.7
61.03203	1.3
67.05530	1.3
68.87678	1.3
72.59988	1.4
75.65402	1.2
83.04981	12.4
91.05468	5.8
93.07044	7.2
95.04947	2.0
101.15580	1.3
101.82980	1.2
103.05461	1.8
103.71207	1.2
105.07011	7.1
107.04938	2.9
107.08624	1.6
109.06495	5.0
119.04928	1.9
119.08574	1.9
121.06495	7.9
122.03674	1.9
131.04900	11.6
133.06483	6.4
133.10115	7.9
135.04402	1.7
137.05971	100.0
138.84328	1.4
143.08534	1.8
145.10120	5.5
149.05963	10.0
149.09628	1.6
151.07529	12.9
153.05492	2.5
155.08583	2.8
157.10056	2.9
159.08069	2.8
161.06006	10.8
161.09616	2.3
163.07547	7.7
163.11151	2.1
165.05429	1.4
165.09033	1.6
167.08508	2.1
169.10109	1.5
171.11690	3.1
173.09619	2.4
175.07520	10.2
176.36015	1.3
179.08673	1.7
181.10100	2.9
182.10902	2.4
183.11632	2.1
187.07571	14.1
189.09007	2.5
191.10802	2.0
193.10121	1.7
195.08069	5.3
195.11816	3.0
197.09636	3.0
197.13298	5.4
199.11096	2.6
207.11670	3.0
209.09550	1.5
209.13345	2.7
210.10364	1.9
211.07481	1.3
211.11143	3.2
213.12764	1.6
221.05997	8.1
225.09087	6.6
225.12727	8.7
227.10667	2.3
235.11169	1.7
237.16420	1.6
247.09599	1.6
251.10672	3.1
253.08621	7.0
253.12231	11.3
255.10307	1.8
265.15833	1.5
267.10034	3.0
267.13672	2.3
271.13168	9.5
283.16907	1.6
285.11121	14.8
287.12796	6.1
287.16211	1.5
293.15396	2.9
311.16406	5.1
315.10178	3.1
327.15909	2.0
329.17279	6.9
331.15427	5.0
337.14288	2.5
347.12769	2.3
347.18558	2.3
350.15057	5.6
355.15405	2.7
365.13892	14.1
371.18744	1.9
383.14835	14.8
389.18915	1.5
453.79956	1.3
489.18781	5.2
489.25082	1.6
507.19995	12.7
507.26328	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	507.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	59.8
83.04977	71.0
91.05493	37.7
93.07030	43.8
95.04921	12.5
97.18769	7.8
101.05220	9.7
105.07010	49.6
119.08627	10.0
121.06513	60.2
123.08025	15.2
133.06499	18.9
133.10136	40.0
137.05989	19.8
143.08595	12.1
145.10126	37.1
149.06006	44.2
151.07486	17.1
155.08543	21.2
157.10066	11.5
159.08018	13.1
161.09579	14.5
163.11224	14.5
165.06931	12.0
169.10120	34.7
171.11746	18.6
173.09593	18.1
179.08508	9.4
181.10175	20.7
183.11691	53.7
185.09601	21.1
187.11150	10.0
192.09377	14.7
194.10893	14.9
195.08067	13.1
195.11688	18.1
197.09492	28.2
197.13258	40.0
199.11140	16.1
204.51357	8.9
206.10912	11.0
207.11674	20.8
209.09746	12.3
209.13170	16.2
211.11256	38.6
213.12630	15.6
223.11066	12.9
223.14999	9.3
225.12788	50.8
227.10640	15.3
227.14389	10.2
229.08691	11.4
241.12241	16.4
251.14294	12.1
253.12251	70.9
265.15903	10.8
269.15485	10.7
271.13293	100.0
311.16324	70.1
329.17511	57.9
331.15509	12.1
507.25790	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01773	11.5
54.69151	10.9
55.05506	64.0
55.84834	11.9
57.07070	18.1
67.05502	34.6
69.07076	17.1
79.05501	21.7
81.07072	30.2
83.04978	100.0
91.05447	18.1
93.07036	60.1
95.08586	26.8
105.03465	13.6
105.07027	65.7
107.08599	25.4
109.06557	16.0
117.06985	16.4
119.08579	21.4
121.06486	56.4
131.08549	27.8
133.06509	23.7
133.10173	15.5
135.08032	17.9
143.08499	22.1
145.10144	17.7
147.08133	19.1
149.06006	15.0
150.97844	15.6
151.11084	13.7
155.08591	15.6
157.10118	22.6
161.09621	50.9
169.10091	26.6
173.09686	27.3
179.08630	15.8
181.10147	29.0
183.11679	31.5
195.11661	36.1
197.13242	54.1
199.11145	18.4
207.11639	33.4
209.13234	25.9
210.10349	21.0
211.11176	31.9
213.12897	16.2
223.11224	18.6
225.12759	88.9
229.12291	17.2
239.14355	29.6
253.12227	70.8
265.15854	26.7
271.13254	88.4
285.14813	22.2
289.14471	54.5
297.66455	15.1
311.16364	88.2
329.17505	98.2
507.40451	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63284	2.1
69.07066	3.0
81.07043	9.1
83.07713	2.0
93.07071	4.1
97.06540	4.8
99.22248	2.2
105.03397	11.8
105.07051	5.1
107.08591	3.0
109.06525	3.1
109.10180	3.4
113.06057	3.1
117.07033	2.5
119.08583	5.1
121.06508	9.0
121.10090	2.7
131.08586	3.3
133.06573	2.3
133.10172	3.2
135.08057	5.3
137.09586	2.7
145.06499	100.0
145.10085	3.8
147.08022	4.4
147.11668	4.2
155.08600	4.4
156.09341	3.0
157.10172	3.3
159.11693	10.5
161.09583	3.8
163.07549	21.5
165.09123	4.4
169.10101	9.4
171.11684	13.3
183.11691	15.0
193.10069	3.0
197.13268	9.5
199.11124	2.8
205.08600	12.9
207.11707	4.6
209.13310	2.9
211.11319	4.2
212.83542	2.4
223.14680	2.3
225.12909	4.4
234.14069	4.1
239.18002	17.1
249.16376	12.3
257.18982	2.7
265.10788	4.5
267.14722	3.6
267.17383	42.3
269.96689	2.4
270.72696	2.1
285.18576	29.3
327.19522	46.6
345.20203	2.8
387.21445	3.0
447.23648	2.8
507.40573	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	507.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04448	4.0
52.02377	3.5
55.05501	3.5
55.65527	4.1
56.42431	3.4
57.07064	5.7
57.45462	4.1
58.97355	3.8
64.20361	4.0
81.07082	7.4
92.17903	5.1
93.07009	8.8
95.08606	4.5
109.06522	66.2
119.08577	8.7
133.10120	24.5
137.05984	36.1
139.07536	7.5
145.06483	100.0
145.10159	6.5
147.08041	5.5
147.11656	6.0
163.07573	10.1
165.09126	24.8
171.11568	5.1
173.13242	7.6
175.30571	4.7
183.10196	5.2
199.11279	6.3
201.12749	21.7
205.08551	10.4
239.17981	6.9
249.16469	5.2
257.18698	5.1
267.17465	20.6
270.17941	4.5
285.18552	21.5
289.14075	4.8
307.15369	7.9
326.22235	4.2
327.19418	6.7
344.83212	5.0
345.20596	7.1
346.75305	4.3
507.29507	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	507.3319
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
55.05480	3.3
55.80133	1.9
62.65117	1.8
65.94882	2.3
67.05499	9.4
69.07061	14.7
71.04995	27.7
78.18034	2.2
81.07053	19.2
85.02914	26.1
86.03232	3.9
91.05441	3.8
93.07019	9.0
95.04958	36.6
95.08573	16.1
97.06548	9.9
99.08089	4.9
105.07043	5.6
107.08600	20.9
109.06487	8.9
109.10155	11.7
111.08080	10.9
117.07049	2.6
119.08595	4.7
121.06528	2.4
121.10133	4.8
123.04485	2.9
123.08047	11.6
123.11709	9.2
125.09631	26.3
129.05463	9.3
131.08539	5.6
133.10114	4.3
135.08035	3.9
135.11665	3.5
137.05959	4.2
145.10127	18.8
147.08049	5.4
147.11668	9.9
151.11163	30.3
157.10101	2.8
159.11610	5.0
161.09587	4.3
161.13232	5.6
165.12714	17.0
171.08011	4.1
171.11691	3.1
171.13725	3.0
173.09592	20.0
173.13277	10.4
175.14966	2.4
177.12712	2.5
187.11247	4.0
187.14839	3.0
189.09131	4.3
191.10655	5.0
191.14310	28.3
197.13295	3.8
201.12799	4.1
205.12248	3.0
209.15358	9.1
219.13840	11.2
225.12971	2.8
253.16132	2.4
255.17503	3.1
265.15891	4.7
283.17007	10.1
285.18353	2.8
301.18112	10.1
311.20117	5.1
329.21097	5.1
331.23013	2.3
357.20511	8.5
371.22305	10.7
373.25476	2.2
409.27295	2.5
427.28424	17.2
432.10010	2.6
445.29541	28.0
453.29935	8.7
471.31052	65.0
489.32065	100.0
507.25513	2.5
507.33463	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3316
Annotation	2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate
Peak:m/z	Relative Intensity
57.07078	33.1
67.05488	4.6
67.41649	4.1
69.07063	21.5
71.08639	4.3
73.01140	4.5
74.20367	4.2
78.48158	4.2
79.05490	6.1
81.07058	63.1
86.78963	4.4
87.63731	4.6
89.88220	5.3
91.34466	4.1
93.07019	18.9
95.08592	25.6
99.08092	8.1
105.07030	10.5
107.08581	23.6
109.06528	6.6
109.10145	42.8
112.51308	4.6
119.08569	17.9
121.06508	10.4
121.10126	5.5
127.11239	4.6
131.08586	10.7
133.10123	9.4
135.08121	6.0
137.05891	4.7
143.08499	4.8
145.10135	17.7
147.08018	6.2
147.11716	4.4
149.09543	5.1
159.11671	9.2
161.13260	18.8
171.11774	7.8
173.09618	38.7
179.14336	10.8
180.23874	5.2
187.11142	17.1
189.09088	5.5
191.10684	6.5
197.09711	5.8
197.13330	6.4
199.11197	7.0
213.12611	6.6
215.14204	8.7
256.58096	4.0
265.16000	8.0
283.16983	20.9
285.18427	6.6
286.64978	5.0
295.20566	7.4
308.78510	4.9
393.27933	19.5
411.28876	50.3
429.30020	74.6
447.31277	59.6
489.31744	9.9
507.33014	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	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.5
67.05491	6.4
69.07063	25.4
71.04993	22.1
81.07043	25.0
83.04958	3.5
85.02915	23.2
87.56940	2.3
90.02144	3.1
91.05459	4.7
92.17960	2.8
93.07041	17.1
95.04955	39.6
95.08563	18.8
97.06538	12.1
99.08125	3.6
105.07009	5.8
107.08595	26.7
109.06494	5.9
109.10149	10.6
111.08080	6.6
111.78548	2.7
119.08535	6.2
121.06522	5.2
121.10141	4.5
123.04399	6.0
123.08072	11.5
123.11732	3.0
125.09621	20.7
129.05458	6.0
130.05824	4.3
131.08536	4.4
131.53709	2.5
133.10074	6.5
135.11685	10.4
137.05963	10.7
137.73445	2.7
145.10121	17.1
147.06569	3.1
147.07944	3.0
147.11737	4.4
151.11140	29.8
159.11710	4.8
161.13129	2.8
165.12759	28.7
169.12265	5.0
171.08054	3.4
173.09604	15.9
173.13148	9.3
177.12724	3.4
183.11670	2.8
187.11203	4.6
191.10626	11.0
191.14304	38.9
195.11700	3.3
199.14772	3.5
201.12770	4.7
209.15363	10.9
211.07413	2.6
219.13766	6.6
225.12700	3.5
237.16341	4.5
249.14844	2.9
255.17497	5.9
265.15845	3.7
283.17029	3.4
293.19058	3.5
311.20081	3.0
319.19113	5.3
329.21100	11.0
339.31006	2.8
357.20801	5.3
371.22003	5.9
409.27368	5.1
427.28366	23.4
445.29608	29.4
453.29910	10.1
471.30884	56.5
489.32065	100.0
507.22733	3.3
507.33435	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	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.3
67.05495	32.3
69.07059	46.4
77.56236	7.7
79.05468	14.4
81.07055	84.4
83.08609	15.5
91.05440	7.4
93.07019	36.4
95.08595	100.0
97.10165	12.9
98.74920	6.2
102.66524	6.9
105.03360	8.5
105.07035	9.5
107.08596	34.5
109.10138	70.4
119.08550	11.7
121.10134	28.7
123.11694	13.0
129.74274	7.7
130.17609	7.5
133.10147	10.2
135.11627	14.1
137.09636	9.4
147.11679	12.9
149.13237	8.7
175.14886	8.2
202.65776	8.5
255.85643	7.3
272.24243	6.9
273.25574	8.3
291.26810	15.3
308.38123	7.5
309.27798	73.0
327.28961	12.3
507.28543	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	508.2696
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
61.05091	1.7
65.27260	1.5
69.03419	8.1
77.49981	1.5
79.05479	7.3
91.05487	17.3
93.07020	3.3
105.07015	3.1
106.96783	1.7
107.04954	99.7
119.04894	3.0
119.08565	14.7
121.06514	10.4
131.04909	1.8
134.07384	2.0
134.09641	9.1
137.05991	4.0
138.06288	2.3
141.06990	2.2
143.08566	6.9
145.06467	3.0
149.05959	22.1
151.07561	1.6
157.10112	2.0
161.05949	2.1
167.08540	4.2
169.10132	2.3
171.08028	3.2
175.07512	2.3
179.08519	1.8
181.10086	3.2
185.09601	2.1
193.10107	2.8
194.11804	64.0
207.11604	2.2
209.13274	10.7
210.11209	10.7
211.11218	3.4
211.15031	1.7
219.11746	2.3
222.10333	2.4
227.14337	3.4
237.12712	12.0
244.33775	1.8
255.13734	12.1
280.25369	2.2
285.11203	2.0
315.15884	12.6
448.30420	1.6
508.20737	4.2
508.26895	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	508.2694
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
54.05103	1.0
55.05478	1.1
60.37213	1.2
68.91460	1.1
79.05478	8.3
81.07027	2.1
85.40121	1.1
89.83363	1.1
91.05476	3.1
93.07055	2.1
105.06998	7.6
107.04953	100.0
109.06494	2.9
119.08562	1.9
129.06905	1.4
131.04868	1.7
131.08534	2.0
134.09650	10.7
135.08022	1.8
137.05980	1.4
143.08530	3.1
145.10088	2.0
147.08009	4.9
149.05980	17.9
155.08455	2.7
157.10181	4.0
159.07976	2.2
167.08575	5.1
169.10097	1.8
171.07979	1.5
173.09558	6.6
179.08507	5.7
181.10077	6.3
183.11661	8.1
185.13199	2.4
194.11790	55.7
195.11667	2.7
197.09514	6.1
199.11130	2.3
199.14764	5.0
209.13181	12.4
211.11169	11.0
213.12653	5.9
227.14236	12.2
237.12714	12.3
255.13795	22.2
273.14841	5.2
273.66650	1.4
300.05801	2.0
315.15863	12.3
345.09738	11.1
346.10010	25.7
490.25824	1.5
508.26733	94.1
534.28339	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	508.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93861	2.9
55.24062	2.5
57.36901	2.8
67.05517	6.9
80.07734	2.9
81.03410	13.5
81.07066	7.2
91.05469	5.1
93.07039	36.5
95.04961	27.8
95.08613	16.7
100.88168	4.0
105.07014	17.0
107.08606	28.5
109.06493	4.2
109.10151	54.7
109.83195	3.3
119.08591	34.9
121.10151	19.1
123.11711	3.4
131.08652	3.5
133.10129	100.0
135.08083	43.4
135.11684	5.3
140.81169	3.6
145.10104	40.3
147.11681	18.1
159.11734	3.9
161.09589	46.5
163.11205	33.7
165.62767	3.8
171.11693	6.6
173.13316	4.2
189.12759	3.5
197.74387	3.0
199.14862	3.9
209.13179	4.5
219.44226	3.5
223.14777	3.4
226.32896	2.8
255.21175	4.4
265.19467	16.3
283.20499	43.9
343.22754	29.8
403.24768	23.3
437.30399	3.2
508.32867	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56252	1.9
60.94446	2.0
67.05505	3.7
79.05505	2.8
81.03419	2.6
81.07063	23.7
91.05455	9.5
93.07037	20.9
95.04918	3.5
95.08607	20.1
105.07027	25.7
107.08586	30.9
109.10146	15.7
117.06998	4.4
119.08565	40.4
121.10157	12.5
123.11668	9.0
130.07744	2.7
131.08633	9.6
133.06485	3.8
133.10123	65.9
135.08052	100.0
135.11696	4.0
137.09602	5.3
143.08574	14.9
145.06471	4.5
145.10107	52.7
147.11670	13.5
155.08530	4.2
157.10098	17.5
159.11700	13.0
161.09590	9.6
161.13182	2.9
163.11174	25.2
167.08559	3.4
169.10115	9.6
171.11630	12.9
173.13223	4.9
175.78209	2.4
179.08493	3.0
179.10629	4.5
181.10121	12.0
183.11655	10.2
185.13319	11.9
195.11685	15.7
197.13213	9.4
209.13263	23.3
223.14853	20.8
227.14258	3.9
237.16266	4.1
255.21030	2.8
265.19452	66.3
283.20551	46.9
301.21539	3.6
325.21533	5.0
385.23627	23.0
389.26819	20.1
403.28043	2.4
508.32587	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	508.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28401	7.1
69.03431	10.7
79.81466	8.1
81.03407	12.7
81.07057	11.5
85.13966	6.7
93.07021	49.0
95.04963	30.0
95.08601	35.5
98.17817	8.6
105.07015	16.8
107.08578	47.7
109.10140	13.9
119.08573	17.9
121.10130	8.3
133.06483	8.3
133.10138	50.1
135.08022	98.0
145.10158	14.4
147.11639	8.0
149.09656	7.8
157.03322	7.6
161.09589	100.0
163.11206	9.2
171.11676	10.4
195.00298	13.1
210.30614	7.2
221.58290	7.6
283.20508	72.3
336.63052	7.2
343.22794	37.6
367.30609	9.7
406.32947	8.8
412.29059	8.0
431.27914	15.5
508.27213	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08183	4.8
68.08017	0.5
68.24038	0.5
69.50422	0.5
81.07055	0.5
86.09707	21.1
92.92797	0.5
93.09562	0.5
99.47791	0.5
100.35964	0.6
101.60905	0.5
104.10725	2.1
120.46866	0.6
124.99994	9.4
130.75493	0.6
132.44888	0.5
167.86351	0.6
171.36067	0.5
181.27176	0.6
184.07335	100.0
202.52403	0.5
287.66397	0.7
299.70508	0.6
490.33212	0.7
508.34009	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	508.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09758	1.6
64.17339	1.4
67.05507	2.3
78.10401	1.8
79.05483	2.0
81.07069	11.9
91.05463	2.1
91.10487	1.5
92.17779	2.8
93.07023	6.8
95.04955	2.1
95.08607	6.5
97.46091	1.5
105.07025	7.6
107.08591	25.1
109.10159	10.2
115.90746	1.5
117.07015	3.6
119.04928	3.6
119.08590	11.5
121.10145	9.9
123.11669	7.9
133.06514	2.7
133.10126	23.4
135.08057	100.0
135.09097	3.3
135.11713	2.8
143.08566	3.7
145.06506	6.7
145.10106	13.2
147.08002	1.7
147.11679	3.5
157.10069	2.1
159.11687	7.4
161.09605	9.5
163.11156	10.6
168.04805	1.5
169.10107	2.2
171.11694	6.4
173.13303	2.7
179.10686	8.0
181.10110	2.8
183.11722	2.7
185.13220	2.0
187.11172	1.6
195.11746	2.0
197.13242	3.7
201.12909	2.1
209.13300	2.0
223.14883	3.0
265.19565	17.4
276.07846	1.9
283.20627	19.9
301.21545	2.3
389.26688	2.2
403.28433	36.7
450.78119	1.6
465.23816	2.2
505.72934	1.8
508.36426	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11229	4.6
54.14864	3.8
57.07068	5.0
61.30079	4.2
69.07064	6.2
81.07043	6.6
92.18184	36.4
93.07098	5.5
95.08617	18.2
97.10129	6.2
98.89082	4.5
121.10134	5.6
135.43488	4.7
149.13324	5.4
360.80078	5.4
427.31992	11.3
445.33047	100.0
508.40134	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	509.1294
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03963	0.4
55.01871	0.6
57.03422	0.5
61.02934	0.5
69.03410	2.5
69.80286	0.3
73.02888	0.4
81.03398	1.9
85.02901	10.5
85.67334	0.3
91.05453	0.7
95.76244	0.3
96.98071	0.4
97.02871	2.6
102.07013	0.4
105.03390	0.4
109.02872	0.9
112.75156	0.4
121.06465	0.5
127.03918	0.9
137.05966	9.4
139.03899	4.1
145.04929	0.9
151.07526	5.5
153.01804	5.0
153.05453	5.7
157.06479	0.4
161.05981	7.8
161.09615	1.5
163.03961	0.5
163.07518	0.7
165.01843	2.7
173.09444	0.4
175.07492	1.6
178.02588	0.4
181.04933	1.6
189.09108	5.0
193.18303	0.4
195.10123	0.8
199.27531	0.4
207.06497	0.8
207.10109	3.8
258.05170	2.0
259.05994	1.8
265.08691	0.8
269.04340	0.7
277.08578	0.6
285.04089	0.6
286.04739	5.8
287.05469	12.1
287.08377	0.7
291.08530	3.8
297.11279	1.0
303.04984	0.9
311.12827	0.8
314.04276	1.8
315.04977	3.8
318.07016	0.8
323.12793	0.4
328.12820	0.5
331.04453	2.5
332.05173	5.9
337.14337	0.8
347.07581	100.0
349.14185	0.5
349.80542	0.4
355.15472	1.6
461.19516	0.5
479.20355	0.5
509.20853	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	509.1293
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.17152	0.4
57.03427	0.5
61.02921	0.5
63.89524	0.4
69.03413	2.4
81.03404	1.8
85.00079	0.5
85.02902	7.6
91.05452	0.6
92.18502	0.6
97.02898	3.3
105.03382	0.6
105.07008	0.6
107.04940	0.6
109.02853	0.4
111.08131	0.5
119.04922	0.5
120.32368	0.5
121.06577	0.5
127.03865	0.9
129.06952	0.6
135.08060	0.4
137.05978	7.6
139.03934	3.3
145.04926	0.6
145.06476	0.5
149.09680	0.5
151.07523	4.8
153.01790	3.7
153.05473	5.0
154.06200	0.5
161.05983	7.1
161.09598	1.8
163.07535	0.8
165.01796	2.5
165.09161	0.6
175.07539	2.2
181.04941	1.9
182.46881	0.4
189.09111	5.1
195.10069	0.6
207.06494	1.7
207.10168	3.8
237.09157	0.7
258.05276	2.2
259.06094	1.9
267.10269	0.7
269.04346	1.1
277.84680	0.5
279.10226	0.7
286.04684	6.0
287.05511	11.3
291.08722	2.4
297.11209	1.9
303.05023	0.6
311.12830	0.6
314.04248	2.2
315.05042	4.3
323.12778	0.6
331.04437	3.5
332.05237	5.1
337.14212	0.8
347.07602	100.0
355.15338	0.8
367.15439	0.6
371.14624	0.5
404.47168	0.5
424.34424	0.5
479.20496	0.8
509.20932	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	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.9
51.29565	0.6
53.03954	3.9
54.42249	0.6
55.01863	1.0
57.03422	0.6
67.05521	0.8
69.03410	0.9
77.03933	3.4
79.05488	4.3
81.07055	1.2
83.04957	1.5
85.02889	1.2
91.05468	3.5
93.07059	11.4
95.04989	9.6
95.08592	4.0
105.03397	100.0
105.04518	4.9
105.07022	10.3
107.04939	1.3
107.08612	3.8
109.02852	1.0
109.06523	3.6
111.04433	0.9
116.06223	1.0
119.04964	1.1
119.08588	4.4
121.06496	6.5
121.10140	12.3
123.08057	1.7
131.08606	1.9
133.06508	7.4
133.10114	3.8
135.04419	0.9
135.08058	4.0
137.05951	1.1
145.06482	1.5
145.10185	1.9
147.08064	4.4
149.05978	3.5
149.09610	11.8
151.07527	1.3
155.08624	1.0
157.10106	1.7
159.08064	4.6
159.11707	1.1
161.09599	5.4
167.08527	1.1
169.10117	1.4
171.08070	1.4
171.11696	1.0
172.08891	1.1
173.09631	2.0
175.07500	0.9
175.11211	0.8
177.05467	0.9
177.09128	12.5
179.08514	0.9
181.10127	1.7
183.08038	1.2
183.11710	4.5
185.09586	1.5
187.11208	1.5
189.09164	0.9
190.07858	0.9
192.09450	1.1
193.10161	3.9
194.10869	1.4
195.11708	4.0
197.09650	3.6
197.13260	1.9
199.11166	5.5
201.09001	1.4
201.12674	1.2
206.11017	3.0
207.11687	3.6
209.09656	3.2
209.13223	3.5
211.11180	3.9
213.09135	1.3
213.12672	1.3
215.10573	1.5
220.12506	1.9
221.13287	1.9
223.11197	3.8
224.11880	1.3
225.09151	1.3
225.12683	1.6
227.10590	1.4
227.14415	1.4
229.12257	1.5
233.09639	1.0
235.11159	1.5
235.14819	4.8
237.12766	4.2
239.10690	1.8
239.14276	4.8
241.12221	1.5
248.11971	1.3
249.12857	1.3
253.12297	1.0
253.15869	1.5
255.13727	1.6
263.14371	5.4
265.12274	1.4
267.13858	1.7
271.16913	1.0
281.15396	7.5
283.13232	1.6
291.13745	4.0
299.16470	4.1
309.14783	11.7
327.15826	17.5
345.17029	3.7
369.16968	1.2
387.18027	6.6
449.19394	4.6
509.21805	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	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65923	1.1
52.65258	1.3
53.03947	2.1
54.60975	1.3
57.67932	1.2
67.87006	1.4
69.03426	2.8
71.70370	1.4
73.48856	1.5
79.05486	6.0
81.07050	2.0
85.35448	1.6
88.39969	1.5
91.05466	7.0
93.07038	6.3
95.04959	11.3
95.08604	2.4
105.03391	100.0
105.04449	2.8
105.07029	12.8
107.08586	3.6
109.06516	2.6
117.07037	2.2
119.08561	7.6
121.06480	8.0
121.10119	8.9
123.08089	2.7
131.08531	6.8
133.06480	8.1
133.10149	8.5
133.20790	1.8
137.06007	2.1
143.07585	1.9
143.08560	10.9
145.10127	2.9
147.08040	5.8
149.05931	2.6
149.09612	9.3
151.07562	1.7
157.10132	3.3
159.08044	8.2
159.11755	1.4
161.09610	7.4
165.06914	2.7
165.09108	1.9
167.08549	3.1
168.09288	2.0
169.10114	7.2
171.08055	3.1
171.11612	2.1
175.07542	2.3
177.09087	3.2
179.08572	5.9
180.09386	1.8
181.10081	3.1
183.08031	1.9
183.11699	8.0
185.09598	2.8
187.11163	2.2
193.10112	7.6
194.10965	2.6
195.11702	7.6
196.08905	1.8
197.09682	2.1
197.13251	3.1
199.07457	1.5
199.11215	2.9
206.10867	6.0
207.11681	6.8
209.09627	5.4
209.13261	3.4
211.11165	8.3
213.12761	2.4
219.11623	2.5
220.12462	5.5
221.13229	2.8
222.10411	2.8
223.11234	6.6
223.14627	1.6
225.12726	2.6
227.10822	1.7
229.12193	2.1
230.10945	2.7
233.09659	1.8
233.13365	1.6
235.11195	2.0
235.14824	6.1
237.12737	7.9
239.10747	2.0
239.14227	1.8
241.12123	1.7
245.13312	3.1
248.11877	2.9
249.12808	1.7
251.14272	2.2
253.15854	7.6
263.14255	9.2
281.12637	1.5
281.15286	12.2
291.13846	3.5
299.16452	7.7
309.14789	7.6
327.15826	18.7
387.18060	3.3
449.19467	1.6
504.34888	1.6
509.21616	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
57.96870	0.8
67.05480	1.4
71.24883	0.8
72.00053	0.9
77.03926	1.6
79.05477	4.2
80.75559	0.9
81.04458	0.9
81.07054	4.2
89.35239	0.8
91.05473	4.1
93.07036	5.8
95.04956	9.9
95.08588	4.2
105.03389	100.0
105.04526	4.2
105.07030	10.6
107.08587	10.3
109.06519	1.6
109.10139	1.3
117.06978	1.1
119.04892	1.1
119.08567	10.4
121.06473	3.7
121.10126	3.8
123.08056	1.8
131.08525	1.5
133.06493	5.0
133.10126	5.6
134.10434	1.6
135.08047	15.8
136.08380	4.5
137.05965	1.7
137.09587	1.0
138.91541	0.8
143.08559	1.7
145.06477	1.6
145.10110	5.5
147.08025	3.7
147.11716	0.8
149.09616	5.7
155.08530	2.0
157.10095	3.9
159.08058	1.7
159.11687	1.5
160.12106	1.1
161.05946	0.9
161.09595	3.4
167.08568	1.1
168.80679	0.9
169.10104	5.4
171.08046	0.9
171.11743	1.2
173.09608	1.4
180.09467	1.3
181.10095	1.9
182.10698	1.1
182.93100	1.0
183.11691	3.4
185.09679	1.2
192.09233	1.1
193.10052	3.1
194.10878	2.0
195.11656	4.4
197.09637	1.7
197.13177	1.2
205.10229	1.1
206.10942	4.4
207.11671	2.0
208.12311	1.1
209.09619	1.6
209.13261	4.0
211.11165	1.9
211.14821	1.1
215.08577	1.0
220.12354	1.8
221.13237	3.6
222.10335	1.3
223.11253	1.8
223.14711	1.1
224.11966	1.9
225.12726	3.6
235.14705	1.3
237.12787	1.8
239.14320	5.5
249.12723	1.2
251.14113	0.9
253.15921	2.2
263.14285	5.4
265.19476	1.8
266.19849	4.3
267.13669	3.4
279.13663	1.0
281.15399	5.5
283.20471	1.0
284.20889	4.3
291.13605	0.9
298.93942	0.9
299.16522	0.9
309.14810	4.8
327.15826	6.2
363.90778	0.9
404.28726	3.9
449.19400	1.8
509.21487	27.7
509.32431	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	509.2172
Annotation	Mortonin D
Peak:m/z	Relative Intensity
53.03956	1.0
67.05482	1.1
69.03424	1.3
69.07076	0.9
77.03934	3.7
79.05481	1.5
83.04985	0.9
87.51483	1.0
91.05464	1.5
93.07072	3.4
95.04961	9.3
97.06503	0.9
97.17474	1.1
105.03396	100.0
105.04497	2.5
105.07056	8.4
107.08620	1.4
109.06496	1.1
119.08560	10.9
121.06491	5.1
121.10129	3.9
122.64937	0.9
123.04430	0.9
123.08111	1.2
123.36861	0.9
131.08565	3.6
133.06494	5.8
135.08015	1.7
143.08592	1.8
145.10141	3.9
147.08043	3.9
149.05991	1.5
149.09622	2.0
155.08513	1.3
157.10114	2.3
159.08066	1.8
161.09593	4.0
167.08514	1.6
169.10129	6.2
171.08049	1.4
173.09637	1.2
177.09070	1.8
179.08513	1.9
181.10138	2.1
182.10895	1.2
183.11707	2.1
185.09595	1.4
189.09167	1.0
193.10129	2.3
194.10867	4.7
195.11751	4.2
196.12462	1.0
197.09615	2.1
197.13271	2.1
199.11134	2.2
206.10876	8.0
207.11723	2.3
208.12515	1.1
209.09642	5.0
209.13191	2.3
210.10403	1.9
211.11212	1.9
211.14778	1.6
213.09135	1.5
215.10652	1.0
220.12445	1.4
221.13277	5.7
222.10440	3.7
223.11124	3.7
224.11919	2.0
225.12781	4.0
227.14232	1.5
233.09521	1.3
234.10497	1.6
235.11032	1.1
235.14900	1.1
237.12773	2.2
239.14331	5.1
248.11801	1.3
249.12894	1.6
251.14337	1.8
255.13824	1.2
263.14383	3.8
267.13770	2.2
279.13605	1.1
281.15314	4.1
309.14935	4.5
327.15988	7.5
398.14594	0.9
444.23434	1.1
509.21719	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2173
Annotation	Mortonin D
Peak:m/z	Relative Intensity
53.03947	1.8
59.92953	1.2
60.08168	2.5
62.05970	1.3
63.05418	1.4
71.97356	1.6
79.05479	2.8
81.07031	2.6
86.09715	12.8
87.09995	1.7
91.05473	3.5
93.07027	2.8
95.04959	10.1
95.08582	2.4
105.03394	100.0
105.04491	5.2
105.07043	12.9
107.08631	1.7
109.06528	2.2
119.08549	13.9
121.06510	2.3
121.10157	2.2
124.99977	7.2
131.08598	2.9
133.06477	3.5
133.10019	1.8
143.08577	3.4
145.10187	2.6
147.08070	2.2
149.09608	2.2
153.05287	1.3
157.10109	3.2
159.07980	4.8
159.11665	2.5
167.08585	2.4
169.10101	8.4
173.09633	1.9
180.09218	1.6
181.10187	1.9
183.11682	3.1
184.07339	47.3
185.07799	11.4
185.09428	2.2
193.10199	2.5
194.10934	2.3
195.11723	2.9
197.09618	2.6
197.13225	1.9
206.10941	12.2
209.13280	3.4
210.10461	1.8
211.11113	2.6
211.14777	2.1
221.13229	7.3
222.10368	3.2
223.11096	2.0
224.11929	1.9
231.39848	1.5
234.10344	2.0
237.12807	2.2
239.14372	3.0
243.43858	1.5
245.13342	1.7
249.12796	2.7
281.15274	2.5
309.14783	3.0
327.15784	7.0
509.21738	44.7
509.34042	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	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17606	1.7
65.96519	1.8
79.05483	2.2
91.05487	8.0
93.07059	2.5
95.46159	2.3
105.07050	2.6
107.04974	14.9
109.46284	2.1
117.07000	3.0
119.04945	4.3
121.06499	4.7
122.03568	2.2
129.06975	8.9
131.08559	3.0
135.08081	2.8
137.05978	100.0
149.05980	8.0
151.07541	47.8
157.06439	4.0
161.05956	74.9
161.09593	18.1
163.07542	8.7
165.09102	2.6
171.18379	2.1
174.06755	2.8
175.07553	26.4
177.09032	2.7
187.07552	2.5
189.09097	45.4
191.38995	2.2
193.06549	2.5
195.10210	12.5
207.10130	27.3
219.08179	3.4
237.09123	8.6
239.07008	2.6
249.09058	3.4
251.10718	4.2
253.08406	4.1
263.93402	2.1
265.08609	12.5
267.10193	3.5
277.08640	12.0
277.12146	2.2
279.10126	3.0
283.09726	3.1
285.11237	4.7
296.10410	2.5
297.11316	17.8
299.12936	2.6
308.10574	2.1
309.11026	2.5
311.12842	14.5
317.14185	2.1
337.14313	9.5
355.15506	18.1
367.15558	16.3
449.24899	2.3
461.19870	3.9
479.20831	15.3
491.20981	3.2
509.21613	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	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75413	1.7
55.01841	1.9
67.05507	3.8
69.03438	4.2
69.07057	3.1
71.04977	4.0
79.05502	4.3
81.03409	3.0
81.07055	3.6
85.02905	20.6
85.06541	2.7
86.03234	3.0
91.05475	9.1
93.07037	7.7
95.05003	2.5
97.02920	2.5
99.04449	14.8
99.08086	4.8
104.36608	2.1
105.07013	9.5
107.04947	16.2
107.08595	2.5
108.05283	3.2
109.06581	2.4
109.10142	13.4
117.07027	2.6
119.04903	5.0
119.08568	3.3
121.06506	9.3
121.10123	9.7
123.08084	2.4
123.11713	3.1
125.09638	14.4
127.03841	3.3
127.11194	2.7
129.06984	2.9
131.04912	3.7
131.08524	3.9
133.06490	4.3
133.10130	8.1
135.08000	3.2
137.05966	100.0
143.08545	4.7
143.10678	9.5
145.06480	3.1
145.10106	7.7
147.08006	4.0
147.11665	7.7
149.05971	3.8
149.09624	15.5
151.07544	40.0
151.11186	3.0
155.08553	8.5
157.06476	4.6
157.10114	2.4
159.08139	2.5
159.11719	2.7
161.05956	36.1
161.09618	8.7
163.07538	9.2
163.11102	2.5
167.10655	4.0
169.10095	7.9
173.09648	9.2
174.06712	3.2
175.07521	17.6
177.09166	4.3
182.10945	2.3
183.11623	2.4
189.09134	19.0
189.12827	2.2
190.54814	2.3
191.10693	2.7
195.08035	2.7
195.10144	13.2
195.11732	3.8
196.08813	3.2
197.13246	10.5
199.11209	4.8
207.10037	3.9
207.11719	8.5
211.11174	2.8
219.08133	2.9
221.13080	2.2
223.11107	4.3
225.12686	10.1
237.09230	3.9
237.16510	2.9
239.10585	2.3
241.12271	3.1
245.09425	2.2
249.09097	4.2
251.10672	3.4
253.12227	11.7
263.20313	2.2
265.08621	11.3
265.15924	3.8
277.08612	4.6
279.00073	4.0
279.10229	3.8
283.16879	9.0
284.10403	2.7
285.11310	4.9
289.18130	2.2
293.15366	2.8
297.11203	12.2
299.12708	2.5
309.11060	3.0
311.12817	4.7
311.16272	4.5
313.14307	3.4
317.13922	3.2
323.12772	4.1
329.17365	2.6
332.05295	4.3
337.14371	11.2
347.07550	46.0
355.15421	18.2
367.15347	4.7
427.63809	2.4
473.32864	4.1
479.20383	10.3
491.18756	2.8
509.14258	3.4
509.21988	47.8
509.34546	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35092	1.3
57.27371	1.5
69.03424	2.9
71.17863	1.6
85.02901	15.0
91.05470	8.1
91.78147	1.6
93.07020	2.2
97.02910	2.5
105.07024	2.8
107.02171	1.5
107.04959	6.8
115.05467	2.0
117.49139	1.8
117.63859	1.6
119.04922	8.0
121.06479	6.3
121.10170	2.3
121.74200	1.5
122.03625	1.7
123.08096	2.9
126.16058	1.8
129.06976	8.4
133.06517	2.4
137.05975	100.0
143.04927	3.4
145.05023	2.6
145.06430	1.8
147.04414	2.2
147.08003	1.9
148.05238	1.6
149.05965	7.9
151.03911	3.6
151.07524	44.8
157.06468	7.3
159.07996	2.4
161.05971	85.2
161.09566	23.4
163.07552	9.5
165.09050	1.9
174.06740	6.6
175.07526	26.3
177.09076	4.1
187.07520	2.8
189.09108	41.1
195.10094	14.9
205.08574	2.2
207.10136	33.2
221.09743	2.2
226.10359	2.2
237.09109	7.4
249.09088	9.3
251.06956	1.9
251.10422	2.8
253.08621	6.6
261.08957	1.9
265.08572	14.0
267.10226	6.1
269.11777	2.1
270.08820	2.1
277.08575	8.6
277.12030	2.8
279.10214	2.8
281.08014	2.2
283.09637	3.7
285.11169	8.8
295.09863	2.8
296.10358	3.1
297.11295	17.7
305.11813	1.9
309.11176	6.4
311.12823	15.8
317.13879	3.5
323.12875	3.5
327.12271	2.1
337.14291	14.1
347.07544	27.4
349.14505	2.4
355.15274	26.5
367.15442	9.4
404.86774	1.6
461.19553	3.5
479.20673	16.9
491.20169	2.4
509.21671	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	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85685	1.5
60.65139	1.5
69.03417	2.0
79.05504	3.5
81.32358	1.9
85.02924	1.9
91.05482	7.8
93.07027	3.1
107.04937	4.0
109.06520	3.2
115.05465	2.8
119.04941	9.8
121.06502	7.8
122.03680	2.4
123.08080	2.5
129.07069	3.5
131.08578	2.3
135.08031	3.2
137.05981	100.0
139.03862	2.0
141.64925	1.7
143.04906	2.1
145.06494	3.9
147.04410	2.8
149.05914	3.3
149.09630	3.4
151.03909	2.3
151.07538	55.0
157.06485	8.2
161.05971	75.5
161.09583	17.3
163.07564	10.6
165.06996	1.6
165.08989	2.6
174.06746	2.9
174.28506	2.1
175.07529	22.4
177.09103	7.5
187.07582	1.8
189.09109	46.9
195.10199	10.5
207.08269	2.5
207.10129	36.9
207.11754	2.4
232.63188	1.8
233.05919	1.8
235.07550	2.2
237.09102	4.1
247.07552	3.3
249.08946	3.1
251.10698	3.1
253.08682	4.0
265.08701	13.9
267.10272	4.1
269.08234	2.2
270.44003	2.1
277.08643	8.1
279.10278	2.4
283.09659	7.9
285.11218	9.8
293.11917	2.0
296.10245	2.2
297.11188	16.7
308.10278	3.0
309.11343	4.4
311.12817	13.4
311.16205	3.7
313.10876	2.2
323.12772	4.1
328.12683	6.1
329.17496	2.7
337.14520	15.3
341.14020	4.3
347.07666	15.7
349.14380	3.5
353.13916	2.6
355.15436	17.2
367.15442	8.9
371.14764	3.7
461.19382	3.3
479.20602	13.8
491.20486	3.8
509.22110	13.0
509.31281	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	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90855	2.3
64.73885	2.7
69.03419	3.9
81.03430	2.9
85.02891	12.6
91.05460	2.7
97.02894	6.3
105.07014	4.4
107.04969	3.8
110.97154	2.7
111.46671	2.4
115.05482	2.8
115.29776	2.3
119.04924	3.0
119.08667	3.3
119.17229	2.3
121.06524	3.6
129.07013	2.6
133.06511	3.6
133.10181	3.9
137.05983	57.0
143.08592	3.1
145.06374	2.9
151.07564	29.1
153.01859	4.0
153.05452	4.6
157.06439	4.7
161.05984	54.6
161.09630	13.9
163.07550	3.8
167.05276	13.0
175.07503	11.3
177.09157	3.3
189.09103	45.3
195.10136	6.6
207.10205	26.6
228.24249	2.7
253.08728	3.2
255.11496	5.8
277.08557	4.2
279.10178	4.8
286.04922	4.0
287.05554	6.6
297.11182	13.0
311.12665	5.7
328.12933	3.4
332.05435	3.5
337.14380	4.7
347.07596	100.0
353.13364	2.9
355.15549	10.4
367.15414	3.8
379.16824	12.8
384.15131	3.3
479.20779	6.0
509.21646	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	509.2173
Annotation	Mortonin D
Peak:m/z	Relative Intensity
52.97177	0.9
53.03939	1.8
54.20294	1.1
65.80289	1.0
67.05502	2.2
69.07044	1.2
72.11896	0.9
75.59493	1.0
77.03949	1.4
79.05503	1.9
81.07040	5.1
90.66238	1.3
91.05453	2.0
93.07046	4.7
95.04945	8.0
95.08626	2.1
105.03394	100.0
105.04521	5.0
105.07016	11.3
107.08586	7.0
109.06519	1.2
109.10152	2.1
115.05368	1.5
119.08574	10.2
121.06478	4.2
121.10134	6.3
133.06488	5.6
133.10130	2.2
135.08049	4.0
143.08517	1.7
145.06465	1.6
145.10129	2.4
147.08066	2.1
149.09578	2.3
151.07672	1.2
155.08565	1.2
157.10117	1.6
159.08102	4.3
167.08438	1.4
169.10161	4.5
171.08035	1.3
177.86853	1.2
181.10106	2.6
183.11748	1.8
187.11153	1.2
193.10233	1.3
194.11029	1.2
195.08006	1.3
195.11678	2.4
197.09721	1.6
199.11313	1.4
205.10033	1.6
206.10939	4.5
207.11774	1.5
209.09624	1.5
209.13373	3.8
211.11191	1.6
211.14874	1.5
220.12453	1.9
221.13307	4.6
222.10310	2.0
223.11209	2.4
225.12761	2.1
227.14291	1.2
233.09317	1.1
235.14821	1.9
237.12679	1.8
239.14310	4.4
245.13397	1.3
251.14342	1.6
253.15845	1.2
263.14224	2.5
267.13828	1.8
276.45709	1.0
276.90479	1.0
279.13620	1.4
281.15369	4.6
291.13712	1.7
309.14810	5.6
327.15875	7.1
337.27463	2.5
449.19794	1.5
459.52750	1.1
471.24243	1.4
509.21774	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31024	2.6
60.22220	2.5
77.59505	2.5
79.05470	3.1
87.68317	2.3
91.05476	4.7
93.07056	6.4
95.04958	5.6
105.07028	14.9
107.04963	4.4
107.67361	2.7
109.06545	2.9
119.04938	5.2
119.08585	6.6
121.06519	14.0
129.07001	4.3
133.06564	3.8
135.08064	3.4
137.05991	57.9
143.08540	4.7
145.10149	14.6
147.08023	3.0
151.07532	34.2
157.06447	4.5
159.07991	5.2
161.05974	100.0
161.09586	37.7
163.07559	6.6
166.06412	2.6
169.10083	4.7
171.11728	3.3
175.07512	19.8
177.08940	8.3
185.09702	3.2
189.09100	69.9
195.10197	13.4
195.11751	5.9
207.10129	57.0
207.11844	6.5
209.13197	4.7
217.10081	4.0
221.13142	8.9
223.14952	4.1
232.12462	13.6
235.14825	4.1
245.13335	2.9
247.14838	16.1
263.14407	3.9
265.08630	5.3
265.15765	6.0
275.14178	7.6
277.08670	3.7
283.09814	5.2
285.11298	5.5
293.15393	12.4
296.10574	2.9
297.11304	10.9
311.12720	13.1
311.16394	15.7
337.14505	5.4
355.15524	10.5
367.15222	5.0
389.18954	3.2
479.20438	13.4
509.23166	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34202	4.3
65.01532	4.2
69.03432	5.8
71.79841	5.1
79.05472	7.4
81.07050	4.8
91.05476	10.1
93.07023	26.4
95.04929	17.2
104.79525	4.4
105.03397	100.0
105.07031	59.0
107.08567	10.3
109.06493	5.3
119.08582	18.9
121.06503	31.7
121.10149	6.9
123.08051	7.4
131.08578	8.7
133.06516	47.4
133.10178	17.4
135.08034	19.3
143.08562	12.2
145.06462	7.6
145.10106	9.4
147.04431	17.2
147.08022	8.4
149.06006	20.3
149.09624	30.2
151.07544	7.2
155.08548	25.7
157.10133	19.6
159.08037	24.8
161.09656	18.2
168.09364	8.4
169.10080	40.0
171.11681	10.8
173.09694	6.8
177.09079	10.8
179.08504	6.9
179.62746	5.4
180.09387	6.9
181.10136	30.2
183.08083	5.1
183.11690	27.5
185.09590	10.7
187.11172	9.1
192.09344	19.4
193.10141	20.0
195.11688	29.6
197.09622	7.6
197.13245	34.0
199.11130	20.4
201.09183	6.8
207.11592	35.6
209.09572	11.9
210.10457	10.4
211.07471	9.6
211.11201	9.6
213.12648	7.8
215.10722	6.0
223.11121	24.1
225.12682	53.1
227.10568	6.8
229.08469	5.5
235.11261	7.3
237.16331	9.1
241.12152	11.1
253.12202	40.0
260.12051	5.7
265.15863	24.2
267.13889	7.6
269.11649	8.1
271.13306	22.6
293.15314	22.9
311.16339	49.4
313.14526	7.8
324.54358	5.3
328.53671	5.4
329.17529	11.9
371.18341	10.3
431.20490	24.0
509.22040	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	509.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15617	7.2
50.72986	7.5
55.05510	15.8
55.23375	6.1
57.03433	9.9
67.05482	9.2
69.03429	14.5
81.07039	14.4
91.05470	43.4
93.07043	66.0
95.04945	44.3
95.08607	18.8
97.02886	35.5
97.06543	12.1
97.22657	7.7
98.87588	7.8
105.07034	56.2
107.04984	14.7
107.08605	38.9
109.06516	53.9
109.10146	38.4
117.07005	15.6
119.08569	16.4
121.06524	77.8
121.10125	34.0
123.08052	35.2
129.06938	9.9
131.05026	8.7
131.08530	17.1
133.06453	62.8
133.10110	40.5
135.08046	30.1
137.05946	16.9
137.09624	30.7
141.06947	8.8
143.08542	34.8
145.06497	13.4
145.10127	80.0
147.08037	17.2
147.11690	11.0
149.05946	35.8
149.09622	16.1
151.07397	9.6
153.01830	11.5
155.08549	35.9
157.10089	13.9
159.08009	16.2
159.11667	11.0
161.05946	7.6
161.09538	32.6
163.07471	10.6
163.11165	30.4
167.07016	17.1
167.08467	7.8
169.10123	36.8
171.08086	10.1
171.11664	19.3
173.09613	37.2
174.52715	8.6
177.09123	9.7
179.08549	27.9
181.10176	39.6
182.10863	10.5
183.11656	19.1
185.09631	15.5
186.14714	7.4
187.11107	16.6
193.10086	15.3
195.08025	11.6
195.11699	49.6
196.08719	10.1
197.09581	13.7
197.13283	34.4
199.11174	17.4
201.12729	9.9
207.11720	33.5
209.09598	32.0
209.13309	12.2
210.10310	10.0
211.11122	33.6
213.12854	9.6
221.13293	9.4
223.11157	17.3
223.14728	13.0
225.12708	58.4
227.10829	8.6
235.11171	9.4
239.14235	16.2
241.15735	8.7
247.14662	11.9
250.13435	11.4
253.12199	51.5
255.17072	8.6
265.15842	43.0
267.13748	8.9
269.15106	11.0
271.13174	36.2
281.15442	10.6
283.16901	36.5
293.15356	30.7
311.16406	65.2
329.17377	100.0
371.18353	18.0
389.19528	47.3
473.32437	11.1
509.23694	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24416	5.7
67.05513	6.8
69.07044	8.7
79.05476	7.2
81.07053	8.5
81.85619	5.2
83.04977	7.3
91.05451	12.2
92.17307	4.7
93.07022	50.8
95.04950	11.1
95.06961	5.1
95.08610	25.9
100.73674	5.3
105.07020	47.6
107.04932	9.8
107.08584	25.3
109.06518	47.8
109.10143	6.3
112.20602	6.0
114.38225	6.0
117.06966	7.3
119.08579	35.5
120.79774	5.0
121.06511	27.0
121.10115	11.6
123.08059	25.6
125.09515	6.4
129.06868	5.3
131.08531	11.0
133.06494	69.6
133.10133	25.3
135.08037	24.0
137.09598	22.4
140.61961	5.5
143.08611	19.3
145.10115	41.1
147.08070	23.0
147.11674	6.1
149.05984	12.0
149.09586	21.9
155.08546	12.2
157.10155	31.5
159.08055	12.2
159.11723	9.4
161.06020	9.8
161.09570	23.0
163.11160	8.7
167.07227	6.2
169.10013	7.0
170.10791	6.0
171.11659	30.4
173.09613	12.9
181.10100	28.9
183.11671	22.9
185.09502	8.8
187.11159	8.2
193.10085	9.1
195.08122	6.3
195.11740	36.3
197.09644	10.2
197.13257	21.3
199.11176	37.2
207.11670	26.2
209.09665	9.8
209.13309	7.8
211.11177	12.7
213.12755	12.4
215.10814	7.1
221.13428	7.6
222.14040	8.6
223.11105	11.7
223.14766	8.8
225.12737	9.2
227.10695	7.9
232.12444	6.4
237.16377	20.6
239.14247	6.3
241.12157	8.7
243.13863	9.4
247.14845	9.5
249.12671	6.4
250.13501	7.8
251.14331	6.5
253.15904	6.7
265.15829	36.4
267.13705	8.0
269.15381	8.5
283.16986	35.8
293.15320	38.7
311.16412	73.6
329.17456	100.0
331.14951	7.3
347.18527	25.7
371.18582	32.3
389.19666	46.7
430.39621	5.6
449.21384	12.9
509.23407	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05540	2.8
78.65857	3.0
81.07084	3.9
91.05470	7.3
93.07026	16.3
95.04991	5.1
95.08579	5.8
105.07039	22.0
107.08575	3.3
109.06471	4.0
119.04933	5.5
119.08563	18.1
121.06488	21.6
123.08061	5.2
125.68504	3.2
129.07024	6.7
131.04913	3.4
131.08562	14.6
133.06488	15.3
135.08038	3.5
137.05969	84.6
143.08540	16.8
145.10117	29.5
147.04465	4.3
147.08061	4.3
149.05882	11.4
151.07535	38.4
155.08540	4.9
157.06500	7.3
157.10127	12.6
159.07971	11.1
159.11729	3.0
161.05978	100.0
161.09593	55.5
163.07500	6.2
167.07060	4.5
169.10106	17.2
171.11703	18.2
172.23981	3.5
173.09598	6.2
175.07542	26.9
177.09056	5.9
179.08510	4.6
181.10146	7.1
183.11731	5.8
185.09621	4.8
187.07544	3.7
189.09109	76.3
191.10585	3.4
194.10829	5.8
195.10097	11.8
195.11668	12.7
197.13263	16.8
199.11218	12.3
206.11005	5.0
207.10159	63.1
207.11801	12.1
208.12427	4.6
209.09686	3.7
209.13289	15.8
211.07431	3.3
211.11272	4.9
220.12398	3.6
221.13284	20.4
222.13882	3.5
223.11125	12.6
223.14787	5.8
225.12679	21.6
232.12454	35.5
235.11240	3.7
235.14906	6.1
237.09038	3.8
237.12801	7.3
237.16367	7.1
239.14287	11.8
245.13213	3.6
247.14813	25.7
249.12541	3.9
251.10805	4.4
252.49133	3.2
253.08441	3.5
253.12196	16.0
259.13382	3.5
260.11929	4.9
263.10605	3.7
263.14301	12.6
265.08542	12.2
265.15845	35.1
275.14258	13.1
277.09036	3.2
277.12296	3.6
283.09570	2.9
283.16980	7.0
285.11404	3.6
285.39392	3.0
293.15277	35.6
297.11224	18.9
299.12720	3.2
309.11365	3.8
311.12921	11.6
311.16418	32.1
329.17395	6.1
337.14243	7.1
355.15408	19.8
371.18698	5.3
389.19470	14.3
431.20511	4.6
461.19492	5.0
479.20557	15.3
509.23401	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	509.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38982	5.3
57.42083	6.0
81.16132	6.6
91.05483	17.4
93.07021	15.9
95.04974	11.7
105.03391	100.0
105.07043	30.7
107.08617	13.1
109.06474	8.5
109.10112	10.0
117.07028	11.1
119.08584	13.8
121.06528	29.2
121.10120	11.0
123.08098	12.0
133.06525	9.6
135.07996	9.9
137.06247	6.2
137.09506	8.1
143.08591	17.4
145.10143	9.4
149.05806	6.9
155.08542	14.4
157.10117	10.0
159.08020	11.7
161.09563	12.1
165.07079	13.0
167.08592	8.3
168.09329	7.7
169.10123	16.0
171.11725	9.3
173.09663	6.5
175.07605	9.8
177.09126	8.1
179.08543	8.5
181.10008	24.5
182.10907	9.1
183.11668	13.2
193.10170	10.2
195.11697	42.8
197.09521	12.5
197.13260	41.7
199.11136	9.7
201.12811	10.8
206.10971	8.2
207.11694	39.7
209.09552	11.9
211.11171	10.5
213.12747	9.5
223.11261	13.0
223.14912	8.2
225.12700	14.2
227.10553	7.1
237.12799	9.6
237.16191	6.8
241.12273	11.0
253.12206	9.7
265.15912	16.2
293.15323	13.7
311.16504	48.7
329.17560	34.3
350.34515	7.4
389.19666	8.0
509.22729	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52111	1.3
54.08658	1.4
59.89072	1.5
65.39695	1.6
65.61858	1.4
67.05521	1.8
69.03426	3.4
69.07037	1.6
71.09943	1.4
75.34938	1.6
79.05495	3.0
81.07057	1.9
91.05483	6.6
93.07028	8.1
95.04958	6.1
95.08622	3.7
97.06549	2.4
105.07024	14.3
107.08544	2.6
109.06531	2.9
111.04446	1.8
117.07030	7.7
119.08562	3.7
121.06497	10.6
121.10153	2.0
123.08067	10.5
129.07053	3.7
131.04935	1.7
131.08525	3.8
133.06470	8.4
133.10132	3.1
135.08060	6.7
137.05959	6.9
141.06982	3.8
143.08572	9.0
145.06502	3.1
145.10143	7.7
147.08047	6.6
149.05969	2.2
149.09605	1.9
151.07545	7.3
154.07748	1.8
155.08559	9.5
157.10115	8.2
159.08002	10.5
161.05943	7.5
161.09567	11.9
163.07529	3.0
165.07043	2.0
167.08507	6.3
168.09209	2.5
169.10127	15.2
171.08022	9.1
171.11714	7.2
173.09613	10.3
175.07579	6.7
177.09093	2.5
179.08482	6.6
180.09296	2.4
181.10120	13.9
182.10884	3.3
183.08034	2.9
183.11690	13.8
184.08699	2.6
185.09641	9.0
185.13220	3.7
187.07521	2.7
187.11140	2.6
189.09131	9.1
192.09308	2.7
193.10054	3.8
194.10847	2.0
195.08025	3.3
195.11655	12.6
196.08809	3.0
197.09547	12.3
197.13226	12.7
198.10487	1.8
199.07570	3.0
199.11169	19.7
201.12839	1.9
203.10661	1.8
205.10193	2.1
207.11702	11.4
208.08856	2.1
209.09610	11.2
209.13170	2.5
210.10365	10.8
211.09494	2.8
211.11224	15.1
213.09067	2.7
213.12720	7.8
215.10661	7.5
223.11154	23.7
223.14795	2.5
225.09210	2.4
225.12729	28.0
227.10652	16.7
235.11214	6.5
237.12801	2.1
237.16463	2.0
239.14180	2.0
241.12216	14.3
243.13846	6.6
253.12236	13.6
255.17497	1.8
265.15869	8.2
271.13342	14.6
282.15863	2.3
283.17023	7.0
293.15375	8.9
311.16470	13.7
329.17422	12.0
331.15387	100.0
347.07526	12.3
371.18448	4.0
389.19577	7.4
389.95795	1.8
431.20526	2.2
449.21689	10.3
509.24475	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	509.2536
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
53.03965	1.3
57.24362	1.2
67.23094	1.0
70.86138	1.0
76.13150	1.1
77.03938	1.2
79.05470	1.8
81.07072	2.7
82.28507	1.0
86.48998	1.3
90.41125	1.1
91.05463	2.2
93.07062	2.5
95.04987	7.1
95.08619	1.3
97.06525	2.4
105.03394	38.9
105.04501	3.5
105.07057	5.4
107.08607	2.6
109.06516	1.7
109.10152	13.4
117.43904	1.2
119.04968	2.1
119.08602	5.3
120.54076	1.3
121.06532	6.3
121.10201	1.8
123.08067	1.3
126.01741	1.6
131.04948	4.7
131.08646	1.3
133.02936	1.6
133.06552	6.5
133.10158	2.1
135.08127	1.8
137.05984	11.6
137.09605	10.2
143.08595	2.0
145.06560	1.9
147.04483	5.1
147.08089	1.5
149.06029	7.5
149.09631	4.7
150.06793	1.7
151.07605	6.2
151.11168	10.3
157.10165	1.6
159.08134	5.9
161.05954	14.0
161.09605	2.4
162.06711	18.0
173.09666	1.9
177.05603	1.7
177.09161	1.6
179.07104	7.1
179.10751	5.3
180.07845	1.3
183.11755	1.4
185.09677	1.3
187.11299	2.0
193.10114	1.5
201.09216	1.5
206.10899	1.4
209.09692	1.6
209.13358	1.3
211.11353	2.0
223.11261	2.5
225.08983	1.6
225.12880	2.2
239.14333	2.3
251.10654	1.6
265.83359	1.5
281.15390	1.9
285.07587	1.9
297.08032	1.5
309.15067	1.8
327.12451	13.3
327.15839	3.6
339.12497	6.9
357.13776	5.0
387.18298	1.4
491.24905	1.4
509.25668	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	509.254
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
61.18179	0.7
67.05496	0.9
68.74133	0.7
72.05817	0.7
79.31838	0.7
83.04994	0.8
83.35661	0.7
86.36766	0.7
91.05457	0.9
91.49963	0.6
93.07044	1.1
97.06522	1.2
105.03396	1.1
105.06999	1.0
107.08530	0.8
108.93040	0.7
109.06496	1.4
109.10149	14.3
117.16528	0.7
119.04900	1.7
119.08595	1.0
121.06518	1.0
123.11657	1.1
130.04132	0.9
131.04918	3.2
131.86148	0.7
133.06482	3.7
133.10144	0.8
137.05954	17.9
137.09627	7.2
145.06477	3.2
147.04416	7.3
149.05939	4.8
150.06755	1.8
151.07492	1.3
151.11182	9.4
161.05956	21.6
161.09578	0.9
162.06734	30.4
163.07526	3.1
177.05475	3.6
179.07014	6.4
179.10646	4.2
187.11057	1.3
201.08958	1.1
215.10654	1.1
223.11143	1.0
225.12784	0.8
227.10475	0.9
241.12184	1.0
285.18271	0.9
327.12247	4.7
339.12180	13.5
357.13437	1.5
371.18628	0.9
449.19107	3.2
491.24057	9.1
509.25436	100.0
515.84418	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	509.2723
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.96321	0.6
53.51304	0.5
56.92067	0.6
67.05469	0.6
67.34520	0.5
81.07058	1.4
95.08655	0.9
97.10120	1.0
105.03396	4.9
105.07047	1.2
109.10188	1.6
119.08606	1.2
133.74217	0.7
145.02847	1.4
161.05974	1.2
162.06750	1.3
169.21529	0.7
176.75812	0.7
177.05481	1.4
203.05290	1.2
273.16895	1.1
299.44122	0.8
339.12253	0.7
339.75668	0.7
386.11630	0.8
509.27164	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	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20168	4.8
59.06117	25.3
73.50078	4.8
92.17804	15.5
94.11565	5.1
177.01588	8.1
243.13541	28.5
259.13196	6.9
287.12598	51.3
484.47552	7.4
509.28116	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	509.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29030	1.1
54.23328	1.1
57.03419	7.0
57.07050	1.1
65.01325	1.1
67.05489	2.8
69.07069	5.0
79.05508	1.6
81.07055	10.4
81.16694	1.4
83.08616	2.4
91.05462	2.4
95.04967	2.0
95.08599	14.1
105.03373	6.6
105.07025	2.0
109.10156	5.0
117.05495	5.4
119.04963	13.3
123.11665	2.0
133.10138	1.4
137.02542	1.4
147.04404	100.0
150.11839	1.3
158.88535	1.3
165.05473	5.3
199.49911	1.5
221.08095	6.6
309.24170	2.4
327.25317	42.1
327.29169	1.9
375.25055	2.3
491.29770	2.9
509.27231	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3475
Annotation	22-Deoxy-28-hydroxymakisterone C
Peak:m/z	Relative Intensity
51.70646	1.8
55.05511	16.7
57.03440	3.7
58.60543	2.2
67.05505	6.1
69.03439	6.3
69.07050	12.0
79.05475	2.9
81.07047	5.1
83.08621	40.9
85.02887	14.0
91.05479	2.9
92.18382	4.0
93.07046	14.4
95.04965	10.6
95.08604	17.0
97.06538	5.1
97.10143	19.8
98.63538	2.5
105.03412	4.4
105.07020	12.0
107.04933	3.0
107.08597	23.4
109.06545	3.1
109.10147	27.6
111.08065	5.2
113.09652	6.3
117.07025	4.6
119.08607	4.6
121.06542	6.3
121.10131	4.4
123.08049	16.7
123.11732	6.0
125.09582	6.3
127.11160	6.3
129.07018	3.0
131.08606	9.2
133.06462	3.3
133.10135	4.9
135.08035	4.9
135.11710	18.5
137.05989	45.6
143.10620	2.9
145.10107	16.6
149.05923	3.2
149.13284	3.1
151.07491	19.5
153.12747	11.5
157.10077	3.0
159.11723	9.6
161.05966	38.4
161.09586	16.5
161.13245	3.6
169.10178	4.2
171.08153	4.2
171.13818	6.1
173.09578	23.1
173.13223	5.9
175.07516	13.5
175.11147	3.3
185.13226	4.2
187.11206	13.4
187.14822	2.8
189.09084	30.2
189.16360	4.2
191.10661	12.0
195.10081	5.4
195.11687	3.0
197.13324	4.1
205.15915	2.7
207.10098	25.5
213.12767	10.8
215.14359	4.5
225.12689	4.0
225.18408	5.9
231.13815	19.1
249.14827	21.7
253.08623	3.1
265.08591	4.0
265.15659	4.2
277.08319	4.1
283.09409	3.1
293.15573	3.6
297.11139	4.3
301.17969	4.4
303.19287	3.8
311.12708	4.1
337.14249	5.1
340.33322	2.6
355.15356	6.1
437.30539	5.9
455.31589	76.3
473.32593	100.0
479.20383	3.3
491.33688	28.2
509.21533	5.2
509.34167	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	509.3475
Annotation	Makisterone D
Peak:m/z	Relative Intensity
52.14907	1.4
54.58699	1.2
55.05520	2.3
64.85844	1.5
67.05525	9.7
69.07072	2.2
78.43815	1.5
79.05506	2.3
81.07070	2.2
83.05008	1.5
83.08627	3.8
91.18335	1.3
93.07074	10.0
95.04964	34.7
95.08607	2.7
97.06523	1.6
97.10191	8.9
103.60767	1.6
105.07053	1.7
107.08582	18.0
109.06538	2.3
109.10155	22.1
111.08113	1.8
119.08575	3.4
121.06486	2.9
121.10180	2.6
123.08102	7.4
125.09654	7.9
127.11224	3.3
131.08597	6.1
133.10132	3.1
135.08058	1.9
135.11722	13.2
137.05983	3.8
143.08632	2.7
145.10135	27.5
147.08096	2.6
147.11668	2.2
153.12772	3.9
155.08627	1.4
155.14276	1.5
157.10095	2.6
159.08090	3.0
159.11749	10.2
163.11191	2.1
171.08061	1.8
173.09647	9.6
173.13264	11.8
175.14900	3.2
183.11768	2.8
187.11299	7.6
189.08948	1.8
191.10652	2.8
191.14372	2.4
193.15924	24.6
201.12790	6.5
205.12318	1.9
213.12718	2.3
219.13829	14.3
221.13338	2.3
231.13896	3.1
241.15979	2.0
265.16031	2.8
265.19452	1.9
267.17380	2.1
283.16891	3.4
283.20258	1.7
293.19147	3.4
301.17990	3.4
303.19485	7.2
311.19974	6.4
329.21213	9.8
339.19452	1.9
357.20465	15.3
371.22195	28.8
375.21729	6.4
455.31445	15.4
473.32611	100.0
491.33768	11.4
509.34879	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	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
57.03434	0.7
58.13926	0.6
61.02929	2.8
69.03438	5.7
73.02930	1.2
81.03414	1.6
85.02908	37.0
91.03988	0.8
91.05480	5.8
95.04935	1.0
97.02895	12.1
99.04469	0.7
109.02880	3.5
114.16277	0.6
117.30696	0.6
118.27895	0.7
119.04947	5.9
124.50958	0.6
127.03897	8.1
131.37729	0.6
136.05220	0.8
137.05971	0.8
145.04945	9.7
151.07538	100.0
163.06013	2.8
165.09113	3.4
169.08566	10.1
189.09166	1.3
193.08624	2.5
217.08478	1.0
259.09589	1.1
265.10684	0.9
267.91104	0.7
277.10739	3.1
295.11707	3.3
306.20605	0.7
325.11346	4.1
331.13727	3.1
435.07306	0.7
510.21695	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	510.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87270	0.7
61.02932	1.5
63.03583	0.6
69.03438	4.1
81.03437	1.2
85.02909	27.1
87.55170	0.7
91.03992	0.9
97.02887	5.2
99.04416	0.9
105.07050	4.5
109.02901	1.0
111.74392	0.8
117.05538	0.6
123.04412	100.0
127.03884	8.1
127.75974	0.7
133.06473	23.1
133.07394	1.0
137.05850	1.0
145.04927	6.8
151.07529	53.5
163.06026	1.3
169.08569	49.2
185.56746	0.8
217.08604	0.8
235.09598	1.2
277.10764	3.1
295.11655	1.7
317.03430	0.7
325.11307	1.1
325.38763	0.7
331.13840	5.2
420.77002	0.8
432.12000	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	510.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69744	0.5
57.03438	1.5
59.21700	0.5
61.02931	0.9
69.03426	2.8
73.02927	6.0
81.03427	0.7
81.46110	0.5
85.02911	8.6
93.03355	0.7
94.73028	0.5
97.02883	6.3
100.75233	0.6
101.99966	0.6
104.17784	0.7
111.04444	0.8
115.03905	3.0
115.57082	0.5
119.62106	0.6
125.05957	0.8
127.03937	1.5
131.04921	0.6
134.04468	0.7
137.05974	100.0
141.96140	0.6
145.04938	0.9
151.07500	1.1
163.06223	0.7
163.07553	3.5
169.04947	5.4
175.07573	8.3
177.09164	1.1
181.08611	13.0
187.07497	1.0
193.04948	1.0
201.09062	0.6
203.06972	0.7
205.08635	3.9
223.06090	0.6
226.96672	0.6
229.08559	1.3
247.09576	0.7
261.35608	0.8
265.10785	2.5
277.10739	4.9
295.11749	1.4
296.09250	0.9
313.12827	1.3
322.07349	0.8
331.13821	7.4
340.08224	1.1
451.53400	0.7
510.13834	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	510.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
69.03415	3.2
71.04986	53.5
75.80054	3.0
85.02903	66.9
96.28432	2.9
119.04965	4.8
119.54955	3.5
123.04435	5.7
124.03934	11.4
125.58821	3.3
129.05438	20.5
129.95079	2.9
137.05965	76.7
139.83142	3.1
147.04407	4.8
149.05962	27.3
151.07539	60.4
157.06493	5.9
161.05936	6.8
163.07541	36.8
164.09171	12.6
171.07921	4.0
175.07545	38.1
189.09119	13.3
195.08031	4.1
207.10162	4.1
213.09048	5.1
237.09032	3.6
241.08519	3.6
249.08989	3.3
253.08551	6.8
253.12277	5.8
271.09570	33.7
273.11130	14.3
273.69263	3.3
281.11908	3.9
299.12756	19.3
317.13834	100.0
329.13757	10.8
341.13821	3.9
371.14590	3.4
373.12384	4.9
409.16507	5.6
427.17599	10.9
445.18558	3.8
463.19339	11.5
508.10797	3.6
510.19916	14.3
510.32651	12.6
538.39966	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46564	1.0
54.94982	1.0
67.40433	1.2
70.30125	1.1
73.02916	2.1
80.26031	1.2
82.24845	1.3
85.83714	1.2
93.07016	1.7
107.04955	5.2
109.06557	1.6
127.57253	1.4
131.04924	14.4
135.08009	1.4
137.05965	23.5
145.45393	1.2
149.05959	4.9
151.07507	20.1
157.10088	1.4
161.05997	2.7
163.07523	46.0
175.07558	2.2
177.09094	100.0
180.10213	2.8
182.02110	1.2
189.09116	7.7
195.10170	2.9
221.11688	25.4
223.07426	1.2
227.10660	5.1
229.08740	1.4
234.20439	1.4
239.14391	1.5
253.12401	1.5
255.10078	2.8
261.35867	1.2
265.08817	1.2
285.11359	2.1
287.12759	5.3
311.12869	1.4
313.14429	3.0
331.15381	20.8
406.94055	1.3
510.21942	2.0
510.28568	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03442	1.7
59.04987	1.4
61.02915	7.4
67.05506	2.2
69.03425	14.2
69.07072	25.2
71.04962	1.4
73.02914	1.6
75.31534	1.1
81.03410	2.8
81.07047	5.5
85.02902	100.0
91.03946	5.6
97.02887	27.3
99.04455	2.5
107.04955	12.3
109.02874	9.4
109.10177	2.6
123.11703	41.0
127.03901	25.0
145.04958	30.2
149.06049	1.5
151.11179	24.9
163.06010	13.1
169.12271	2.1
180.10297	2.0
181.10065	1.2
194.11790	6.1
205.81523	1.2
313.16458	10.4
325.11356	7.1
418.46545	1.1
510.28284	6.8
516.86664	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	510.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56931	4.0
55.98464	5.2
73.56354	5.2
79.05505	8.6
81.07050	11.8
91.05476	9.4
93.07045	7.9
93.40044	4.4
95.04962	5.6
95.08611	19.1
97.06507	5.2
102.82053	5.0
105.07031	27.7
107.04951	11.3
107.08594	31.5
109.06499	11.1
109.10170	9.6
117.06966	8.9
119.08553	25.2
121.06507	23.7
121.10129	24.8
123.08054	8.3
129.07036	11.4
131.08543	20.0
133.06488	9.5
133.10143	39.5
135.08047	28.2
135.11682	6.2
137.09628	9.7
140.93471	4.8
143.08554	21.0
145.06444	6.7
145.10146	22.9
147.08032	32.4
147.11653	8.9
149.09631	20.5
151.11191	12.0
155.08511	10.6
157.10112	19.8
159.08022	21.7
159.11655	25.8
161.09622	23.7
167.08554	5.4
169.10226	9.3
171.11638	44.8
173.09622	9.7
175.07553	5.8
177.09137	6.0
181.10059	17.1
183.11679	22.5
185.09616	7.4
185.13258	10.5
187.11252	36.1
189.09178	8.5
192.09369	6.5
193.10155	7.5
195.11647	7.2
197.13239	11.9
199.11203	11.5
201.12773	10.4
207.11671	21.7
209.13388	7.5
211.11237	20.1
213.12651	7.2
221.13266	6.9
225.12730	6.5
231.13837	6.0
237.12679	7.9
247.11139	5.1
249.16368	9.8
252.93056	6.0
267.17355	40.5
277.15820	11.6
285.18359	10.3
295.16910	100.0
313.17899	95.8
355.19058	64.7
373.19983	19.9
415.21109	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66743	1.4
57.03438	2.0
57.07075	1.5
67.05502	6.9
69.07061	3.1
79.05485	9.2
81.03413	3.5
81.07060	17.6
83.08611	2.4
91.05471	8.6
93.07029	20.5
95.04985	13.2
95.08601	25.4
97.40315	1.4
105.03398	2.3
105.07024	17.6
107.04963	3.0
107.08591	26.1
109.10160	15.2
111.08070	2.9
117.06973	10.0
119.08569	50.1
121.06538	1.6
121.10123	14.4
123.11682	5.6
129.07031	2.1
130.07761	2.1
131.08528	17.9
133.06494	3.2
133.10118	100.0
135.08044	88.7
135.11719	3.4
137.09636	10.5
141.06943	1.7
143.08542	13.0
145.06477	3.0
145.10117	54.2
147.08028	2.4
147.11681	14.0
149.09583	2.4
149.13242	2.2
154.11058	1.5
155.08556	7.5
156.09373	2.5
157.10158	15.8
159.11655	19.1
161.09589	12.8
161.13277	1.5
163.11139	22.3
167.08585	5.6
169.10091	14.7
171.11641	16.1
173.13229	11.9
175.11163	1.5
179.08533	2.2
179.10701	5.6
181.10092	13.6
182.61534	1.6
183.11726	14.0
183.13211	1.3
185.13272	10.1
187.14726	2.2
189.12688	2.1
193.10110	2.5
194.10832	2.2
195.11716	17.8
197.13264	9.7
199.14819	2.7
207.11636	2.5
208.12433	5.7
209.13213	30.7
213.12721	2.9
213.16464	1.7
221.13322	1.7
222.13971	2.3
223.14844	16.6
225.16405	3.2
227.14220	3.3
235.14722	3.0
237.16322	6.8
239.17758	2.9
250.17130	1.9
255.21059	2.8
265.19461	82.8
265.22290	2.8
283.20490	33.5
315.19638	1.5
325.21591	9.7
385.23718	22.0
390.84814	1.6
391.24835	7.8
401.00021	1.5
433.25809	1.7
483.74283	1.6
487.14471	1.6
510.30713	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	510.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	1.2
76.04288	1.3
81.07074	1.6
87.43591	1.2
91.05526	1.3
95.04980	1.6
95.08614	1.8
95.31342	1.1
105.03390	6.0
107.08607	3.2
119.08606	3.1
121.06530	2.4
121.10160	2.6
131.08612	3.0
133.10182	2.4
135.08054	8.2
143.08632	2.2
145.06479	100.0
147.08049	1.6
147.11674	2.4
157.10065	2.4
159.08073	1.8
159.11641	1.6
163.07524	26.4
165.09048	1.5
183.11694	2.1
199.11185	1.4
205.08589	13.7
207.11731	6.3
211.11174	1.8
211.14836	1.8
249.16479	1.7
251.12715	2.5
267.17374	15.3
285.18497	12.5
293.13800	27.4
327.19553	17.3
345.20728	2.3
355.22803	1.8
467.89294	1.4
510.22809	2.3
510.30307	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	510.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	5.6
82.22770	0.8
85.14994	1.0
92.18501	1.3
93.07059	1.0
95.08619	1.5
105.03375	5.5
105.07020	1.2
107.04951	100.0
119.08562	1.6
120.08104	10.6
123.32835	0.9
149.05972	35.1
149.07176	1.1
152.66396	0.9
157.10236	1.1
161.09656	0.9
166.07196	0.9
180.10185	94.2
409.36383	0.9
510.32135	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48872	0.8
54.39097	0.8
59.08338	0.9
66.00243	1.2
67.03603	0.9
79.05508	7.0
107.04954	100.0
107.79132	1.0
119.08595	1.5
134.09654	4.0
137.38525	1.0
143.08591	1.2
149.05974	24.3
180.10262	6.4
194.11758	94.7
310.69183	1.4
510.32361	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19743	1.0
51.22028	0.8
52.86234	0.8
60.58539	1.0
79.05479	4.9
105.07004	1.4
107.04954	100.0
119.08588	1.2
120.08093	9.1
149.05975	27.3
180.10193	92.7
271.05380	1.0
510.32111	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59743	0.8
57.19369	0.9
60.30250	0.8
63.62793	0.8
66.87113	0.8
69.37891	1.1
79.05471	1.9
79.81621	1.0
80.26776	0.9
91.05510	1.1
93.07054	1.1
93.22339	1.0
94.52854	0.9
95.04981	1.8
105.03396	22.9
105.07028	1.8
106.03734	5.5
107.04961	69.5
119.08560	3.7
121.06512	1.0
121.10121	1.3
124.47013	1.0
131.08545	1.1
133.06485	1.2
134.06798	1.0
134.09656	6.0
136.72105	1.0
143.08592	1.3
145.10091	1.6
149.05981	22.9
157.10092	1.5
161.09680	1.2
175.10994	1.0
183.11664	1.1
194.11766	86.0
207.11292	1.2
221.13039	1.2
222.13663	1.3
293.08191	1.1
496.41873	0.9
510.22250	13.2
510.32178	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	510.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30240	0.7
54.83304	0.8
56.60212	0.8
57.96614	0.9
58.41171	0.8
60.75136	1.0
71.83271	0.9
79.05497	5.0
93.14404	1.0
97.99030	1.1
101.93237	0.9
105.03388	1.5
107.04957	100.0
127.21054	0.8
134.09650	2.3
137.06009	1.0
137.86411	0.8
138.06323	1.5
144.47760	1.0
149.05978	25.2
160.01151	1.0
174.61433	1.0
180.10181	13.7
194.11768	97.6
282.84668	1.0
443.35339	1.1
510.32785	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19743	1.0
51.22028	0.8
52.86234	0.8
60.58539	1.0
79.05479	4.9
105.07004	1.4
107.04954	100.0
119.08588	1.2
120.08093	9.1
149.05975	27.3
180.10193	92.7
271.05380	1.0
510.32111	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70571	1.0
79.05489	2.6
90.92709	1.0
91.05505	1.5
95.04949	1.8
100.40723	1.1
105.03396	20.0
105.07021	2.6
106.03748	6.7
107.04950	94.3
107.08568	1.6
112.70876	1.2
119.08576	6.0
123.08019	1.2
126.19279	1.2
132.08237	1.1
134.09656	5.8
145.10132	2.1
149.05974	29.5
161.09669	1.3
171.08151	1.2
180.10197	12.0
181.10239	1.4
194.11768	83.3
206.03482	1.2
231.94572	1.2
243.13698	1.1
429.58209	1.4
480.55389	1.2
510.22147	11.0
510.32321	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	510.3574
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07074	5.9
57.42908	1.2
58.64184	1.4
60.08157	9.3
63.27667	1.2
64.56743	1.3
71.08618	5.5
72.83644	1.5
80.43808	1.5
85.10185	2.3
86.09705	35.2
87.10898	1.3
95.08597	2.4
99.27804	1.2
104.10743	90.3
109.10164	2.5
121.16628	1.4
124.48519	1.5
124.99998	14.7
147.71893	1.6
157.99048	1.6
177.67809	1.5
184.07324	100.0
209.98322	1.3
222.79135	1.4
313.27328	5.6
331.28241	2.1
350.13721	1.4
444.55081	1.6
492.34671	6.2
501.80234	1.4
510.35599	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62633	2.6
55.05520	10.9
57.03439	4.4
57.06826	4.8
57.07082	86.5
61.02930	3.0
67.05503	20.8
69.03484	3.1
69.07079	20.2
71.08630	77.3
78.50543	2.9
81.07062	53.0
83.08616	35.1
85.02462	2.8
85.02898	24.2
85.03338	2.9
85.09756	3.4
85.10192	58.0
92.17984	6.3
92.18520	3.7
95.08605	61.2
97.02895	13.2
97.10153	26.5
99.11716	3.7
99.26876	2.8
109.02861	3.2
109.10149	41.0
111.11705	3.3
123.11682	15.2
127.03911	15.2
137.13208	2.8
197.02821	3.1
239.23691	29.2
249.09705	2.9
313.27386	87.6
331.28366	72.6
383.27960	15.7
401.28958	100.0
456.68600	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	510.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56340	5.0
57.07080	48.7
60.08160	10.9
64.55195	5.6
69.07063	5.7
71.08635	45.3
81.07036	26.5
83.08604	9.7
85.10193	43.7
86.09695	32.5
95.08588	36.7
104.10738	81.3
109.10125	10.8
110.35303	5.1
125.00026	11.3
184.07300	100.0
193.92432	5.7
239.23640	13.4
313.27328	82.5
331.28284	48.7
379.97318	5.9
384.55197	6.5
492.34732	6.0
510.35410	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51279	0.8
56.96560	1.5
69.06503	0.9
78.26125	0.9
85.02911	2.2
90.36547	0.9
91.05489	4.3
97.02883	3.5
98.97552	11.5
102.67617	1.0
107.04551	1.0
112.98338	1.0
112.99117	25.5
116.98561	1.9
122.05947	1.2
131.00171	20.5
143.00136	2.3
145.01701	1.4
149.01233	6.9
150.05461	2.1
158.99640	24.0
160.03908	0.9
161.01241	1.6
165.05396	1.0
173.01207	100.0
175.00574	2.0
175.02776	4.0
177.00648	7.1
178.04868	1.6
182.08058	1.9
185.01141	1.4
187.02824	4.5
189.00764	1.2
191.02267	33.9
193.01616	15.9
193.03740	10.8
199.02689	3.4
201.00693	4.1
203.02222	1.3
211.04878	4.4
216.98091	1.0
217.03854	3.6
219.01736	18.9
233.03195	9.1
234.98956	9.8
235.02596	6.2
235.04570	1.2
237.02740	13.9
241.68434	1.0
242.63611	1.1
245.05074	3.7
247.02658	6.7
259.06699	3.6
263.04269	9.2
275.04388	1.3
279.03864	1.5
281.05368	14.5
337.05362	11.8
337.08179	21.8
355.09012	12.5
449.09689	5.2
467.10550	3.7
472.91241	1.0
493.08508	39.9
511.09305	17.7
511.14966	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	511.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92488	1.9
57.07795	1.8
57.74419	1.8
60.25141	2.1
69.03423	14.2
69.77096	1.9
71.05000	2.2
73.02912	3.8
85.02905	37.3
97.02874	13.3
101.53883	2.3
109.02869	5.4
118.18137	2.4
127.03906	24.1
127.35316	2.3
143.01886	14.1
147.03931	3.5
152.00536	2.7
155.01898	3.0
160.04762	4.4
166.78725	2.3
169.05450	37.6
173.02908	2.9
178.04805	81.6
182.03381	2.8
185.02919	3.9
187.05664	44.6
191.03957	3.6
192.96661	2.4
205.06743	13.0
211.05620	12.6
219.01781	3.8
227.03964	3.0
229.06685	100.0
235.06613	11.8
241.06697	15.3
245.05057	35.7
250.07260	10.7
253.06769	4.1
259.07950	24.3
263.06335	3.0
289.08710	3.2
317.02206	10.2
331.09866	5.8
337.09924	26.4
340.10614	30.9
349.10837	12.3
355.09280	2.8
362.09717	10.8
511.16245	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16563	0.3
75.14675	0.4
86.90506	0.4
113.02069	0.7
129.45181	0.3
135.84914	0.3
137.06015	1.4
153.05559	0.6
159.11577	0.4
167.07051	0.9
169.04759	0.7
173.75288	0.3
179.97046	0.4
185.04178	2.4
201.03764	1.5
203.05301	3.2
245.06331	4.4
259.07919	0.9
275.07135	0.5
291.08453	1.5
305.08438	0.6
307.08090	0.4
331.09967	1.5
347.09531	8.0
349.08487	0.5
349.12549	2.0
411.76212	0.4
511.17853	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	511.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39806	0.4
84.72621	0.5
85.02878	0.6
91.05493	0.6
104.72366	0.5
106.92590	0.4
114.91480	0.4
118.06516	2.7
120.08128	0.6
132.08075	2.0
133.10286	0.5
139.25264	0.5
143.07243	0.6
144.08069	5.5
146.05997	36.2
159.09157	4.6
170.06009	1.0
188.07056	100.0
189.13550	0.4
196.85489	0.5
205.09708	38.1
487.72333	0.5
492.19821	0.5
511.17953	0.8
535.00262	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	511.233
Annotation	Scutalpin J
Peak:m/z	Relative Intensity
51.69028	4.1
87.13525	4.7
89.38463	4.7
93.07072	6.2
95.08609	6.7
105.03399	100.0
105.07030	9.2
107.08384	6.0
121.06512	8.8
121.10217	6.4
133.10136	10.8
133.75090	4.8
143.08537	6.4
161.09573	7.3
228.03329	5.1
260.01697	5.0
311.16473	7.3
329.17529	21.3
371.18533	6.8
389.19614	9.1
420.89743	6.4
504.83905	6.2
511.23099	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	511.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68609	1.7
79.05478	2.7
80.42834	2.0
81.07033	3.2
91.05456	4.3
93.07034	3.6
95.04951	15.1
97.06542	4.8
105.03387	100.0
105.07020	12.1
105.07639	2.1
107.08584	2.3
109.06501	4.1
119.08601	4.6
121.06514	11.7
123.04411	2.0
123.08018	4.2
131.08540	3.5
133.06473	5.0
133.10110	9.2
137.05977	2.2
137.09665	2.4
137.17200	2.3
138.04694	1.8
143.08594	8.6
145.10156	10.1
147.08043	4.0
149.05962	8.4
153.06947	2.5
155.08557	4.4
157.10117	8.9
161.09647	9.7
161.46152	1.9
163.04027	2.3
163.11159	4.2
166.07816	3.2
167.08546	7.8
169.10063	10.8
171.08055	2.3
171.11705	9.2
173.09595	3.8
177.05470	3.2
177.09026	2.2
179.08530	3.5
181.10144	9.7
181.76277	2.3
183.11691	7.7
185.09608	4.8
187.11186	3.5
189.09138	3.1
189.12657	2.6
193.10159	3.6
194.10849	2.7
195.08087	2.4
195.11708	9.5
197.09618	4.6
197.13289	8.1
199.11220	9.4
207.11653	4.7
208.12549	3.7
209.09668	7.1
209.13394	2.6
211.11220	7.8
211.14876	3.2
213.12706	4.3
215.14348	2.6
221.13213	10.2
223.11223	4.3
223.14880	8.7
225.12746	4.0
227.10629	2.5
239.14439	6.8
241.12172	3.6
241.15982	2.4
247.14589	2.6
251.14244	4.0
253.12219	2.9
255.17397	2.3
257.15530	2.6
265.15872	3.6
267.13666	3.2
269.15518	3.9
283.16922	10.5
285.14667	8.9
293.15442	3.7
301.17972	3.4
311.16156	16.4
329.17447	23.3
345.16760	3.3
389.19778	10.4
451.20923	2.3
467.20715	16.2
481.01901	2.2
498.29178	2.7
511.23318	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
61.34046	1.2
69.03432	2.1
73.59571	1.1
75.87224	1.1
79.05482	2.1
81.07092	2.4
83.04964	1.6
84.32786	1.3
91.05476	1.8
93.07030	6.8
95.04950	12.2
95.08606	1.9
95.85789	1.2
97.02896	2.2
105.03394	100.0
105.04492	4.4
105.07032	6.4
107.04918	2.2
107.08607	5.0
109.06534	2.7
115.03928	2.0
117.07005	1.6
119.08549	5.5
121.06510	8.0
121.10137	5.2
123.08044	1.6
131.08571	2.4
133.06485	4.9
133.10123	7.8
134.69341	1.4
135.08052	2.9
137.05978	2.8
137.09618	5.9
143.08537	2.5
145.06523	1.8
145.10092	4.6
147.07993	9.0
149.09613	5.1
151.07587	1.7
155.08545	1.9
157.10130	1.9
159.08060	6.1
159.11726	1.5
161.06013	2.7
161.09598	13.5
163.07468	1.7
165.09064	2.7
167.07039	5.4
169.10124	4.9
171.08028	4.8
171.11687	4.6
173.09633	5.0
175.11234	6.4
179.08521	2.2
181.10086	6.3
183.11690	5.2
185.09604	6.0
185.13200	1.9
187.11127	4.7
189.09140	2.2
193.10199	2.0
195.11699	8.0
197.09543	2.3
197.13287	4.7
199.11212	9.0
201.09158	1.6
201.12715	1.7
206.10947	1.3
207.11743	5.7
208.08884	2.2
209.09708	2.9
209.13268	2.6
211.11208	8.0
211.14845	5.9
213.12769	6.2
215.14250	1.5
217.10086	1.5
222.13977	1.5
223.11188	8.3
223.14833	3.0
225.12721	9.6
227.10681	5.5
227.14316	6.0
232.12468	1.6
235.11154	4.6
236.11914	1.4
237.12643	2.3
237.16336	2.4
239.14268	8.7
241.12196	1.6
241.15909	3.0
247.14775	4.5
249.12820	2.3
250.13550	5.0
251.14389	6.7
253.12286	2.2
253.15744	1.7
255.09883	1.3
263.14255	1.2
265.15894	8.6
267.13837	5.4
269.15326	2.3
275.14316	2.8
281.15472	2.1
283.17044	5.7
285.14841	1.3
293.15359	12.9
301.17978	2.5
311.05524	14.5
311.16458	18.9
329.17435	40.7
343.08182	2.2
347.18533	22.7
371.18710	2.4
389.19562	36.9
451.21088	2.0
479.10223	1.8
493.22253	1.8
511.12286	6.6
511.23422	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	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01906	1.6
61.75483	1.5
66.53120	1.4
69.07082	1.7
72.60184	1.6
73.47463	1.6
81.87528	1.5
91.05499	3.2
93.07025	3.8
95.04968	12.3
95.08607	1.5
105.03393	100.0
105.04478	3.4
105.07031	7.4
107.04913	2.6
107.08599	3.1
109.06467	2.3
119.08585	2.8
121.06498	9.6
121.10159	1.6
129.06982	2.2
131.08556	6.7
133.06406	2.4
133.10133	4.1
135.08061	1.9
139.07581	1.9
143.08594	7.2
145.06442	2.2
145.10126	4.1
147.08031	2.9
149.06003	2.7
155.08519	4.1
157.10072	2.3
159.07964	1.8
159.11639	2.0
161.09599	10.4
163.07648	2.0
163.11197	1.8
167.08583	3.6
169.10106	3.7
171.11674	3.8
173.09589	6.5
177.09131	2.6
179.08557	1.6
181.10091	8.7
183.08008	1.9
183.11636	8.1
185.09583	3.0
185.13228	1.8
186.50592	1.8
187.11143	2.3
189.09068	1.8
193.10066	2.9
195.07980	2.4
195.11714	9.2
197.09624	3.1
197.13210	7.4
199.11156	7.9
206.10904	2.0
207.11745	6.1
209.09599	3.9
209.13147	2.5
211.11218	2.9
221.13205	6.5
223.11227	2.7
225.12724	7.1
227.14294	2.2
237.16429	2.4
239.14296	2.7
241.12210	2.0
251.14388	3.5
253.12195	2.8
255.13887	2.1
265.15884	3.7
267.13953	3.2
283.16977	3.7
285.14874	3.9
287.16129	2.2
293.15164	2.2
311.16455	15.9
329.17529	14.8
345.16922	3.3
389.19531	7.2
464.10312	1.7
467.20605	7.6
511.23114	42.2
511.31461	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	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77775	3.6
65.20578	4.3
67.03076	4.1
67.05502	5.5
68.06574	4.0
79.05471	6.7
83.04961	6.6
88.37352	5.0
91.05462	20.9
91.16578	4.1
93.07034	34.7
95.04965	23.4
97.06516	6.4
105.03384	100.0
105.07045	34.9
107.04887	4.6
107.08588	6.4
109.06506	11.2
119.08573	18.2
121.06491	47.9
121.10118	8.6
123.04446	5.2
133.06491	10.0
133.10132	28.6
133.71814	5.6
135.08038	5.2
135.11729	6.5
143.08600	19.7
145.10101	20.8
145.47417	4.9
149.05968	29.7
157.10170	20.0
159.07997	8.5
161.09590	16.6
161.13268	5.1
165.07008	5.0
167.07053	6.6
167.08505	5.9
169.10120	25.1
171.11702	30.3
173.09686	8.6
177.05464	19.5
181.10110	20.2
183.11649	8.5
185.09604	21.1
185.13202	7.1
187.11256	6.9
189.09193	5.8
189.12712	10.7
193.10159	6.8
195.11737	27.3
197.09599	8.5
197.13289	7.0
199.11177	46.0
207.11681	8.5
208.12663	5.2
209.09555	11.5
209.13228	5.9
211.11247	7.3
213.12706	9.1
215.14386	10.3
217.10139	4.9
221.13249	7.6
223.14787	7.3
224.11757	4.7
225.12703	7.0
227.10648	22.4
232.12431	7.3
235.11015	6.3
237.16269	5.2
239.14349	8.2
241.12399	6.7
241.15793	5.4
247.14816	5.4
250.13356	4.9
251.14388	7.9
257.15335	7.1
265.15927	25.5
267.13910	9.0
283.16867	28.5
285.14706	5.7
293.15332	23.4
301.18213	16.2
311.16513	54.7
329.17493	56.7
371.18387	20.4
389.19479	43.5
464.34903	5.0
511.23322	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
53.57025	1.2
58.96878	1.3
70.17607	1.4
72.99522	1.5
76.17184	1.3
79.05479	2.4
81.07027	2.4
91.05446	3.0
92.17863	3.3
93.07039	3.0
95.04948	7.3
96.01276	1.4
105.03394	100.0
105.07040	6.9
106.03702	1.6
107.04910	1.6
107.08597	2.9
119.08553	3.4
121.06483	1.6
123.07997	2.2
131.08566	2.8
133.06494	2.1
135.08051	2.8
137.05913	1.9
143.08537	3.1
145.10094	7.6
147.08029	3.3
149.05933	2.8
153.09024	1.7
155.08562	7.9
157.10115	3.7
159.08017	2.4
159.11725	1.8
161.09610	8.9
163.11140	2.7
167.08562	3.5
169.10106	6.6
171.08087	1.9
171.11647	6.7
173.09613	3.4
177.09059	1.7
181.10127	9.8
183.08072	1.9
183.11649	7.5
185.09583	3.3
187.07495	1.6
187.11244	1.8
188.11928	2.1
192.09364	2.0
193.10118	6.5
195.11748	12.4
196.12424	1.9
197.13249	6.3
199.11131	3.3
206.10968	2.2
207.11700	9.9
209.09679	2.6
209.13275	3.5
211.11102	1.8
213.12692	3.6
215.10500	1.7
221.13235	6.5
223.11119	3.1
223.14728	3.2
225.12720	7.0
232.12291	2.3
239.14153	5.2
241.12183	2.1
243.13861	2.5
251.14180	5.2
253.12317	2.7
267.14084	2.4
269.15356	3.1
283.16910	2.5
285.14902	8.5
287.16232	2.6
293.15283	3.1
311.16318	8.2
329.17447	7.4
345.17041	2.6
389.19455	6.8
467.20566	22.5
511.23215	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2535
Annotation	Pachyclavulide A
Peak:m/z	Relative Intensity
50.66812	5.9
53.03957	6.8
54.57203	6.7
55.05523	7.2
61.76715	7.7
69.07069	10.0
77.30939	6.5
79.05498	33.6
80.97089	7.7
81.07045	39.5
83.04976	14.1
83.08608	8.2
91.05461	40.5
93.07043	36.5
95.04935	32.0
95.08601	46.3
105.07029	69.5
107.04961	44.6
107.08578	64.4
109.06509	34.1
109.10145	35.9
111.08018	7.9
117.07019	16.6
119.08591	51.6
121.06483	46.8
121.10126	30.5
123.08047	48.7
123.11648	12.0
129.07021	9.7
131.08540	44.2
132.17239	8.2
133.06499	50.5
133.10129	52.8
135.04439	34.5
135.08054	13.9
135.11679	11.6
137.05960	11.4
137.09604	29.0
142.07744	10.9
143.08556	61.3
145.06548	12.4
145.10156	56.9
147.08029	37.5
147.11674	30.8
149.05966	11.3
149.09627	11.3
151.07542	9.7
153.09070	8.1
155.08533	49.3
155.09692	9.4
156.09369	12.8
157.10149	36.9
159.08043	37.6
159.11673	18.1
161.09575	31.6
163.07460	9.0
163.11188	15.7
165.06949	9.3
169.10133	43.3
171.07950	7.9
171.11708	44.6
173.09621	30.2
173.13297	11.7
175.11157	8.3
179.08577	10.6
181.10104	39.0
182.06960	8.9
183.11610	59.0
185.09596	18.6
185.13211	14.6
185.52718	7.4
187.11160	9.0
192.09251	15.0
193.10156	16.0
194.11301	13.5
195.11755	13.7
196.12424	8.7
197.09631	13.5
197.13225	31.0
199.11113	15.9
201.12666	16.0
207.11641	42.5
208.12387	9.6
209.09666	7.8
209.13271	31.4
211.11192	16.0
219.11719	9.0
220.12431	18.7
223.11246	15.2
223.14789	14.3
225.12752	13.5
233.13072	8.3
234.14043	38.4
235.11183	13.2
236.12003	9.1
239.14409	8.6
239.17993	10.3
247.11189	9.3
249.16301	55.2
251.14220	12.4
253.15723	8.5
267.17419	38.6
269.15317	17.5
277.15851	32.2
283.16748	7.5
285.18597	16.7
287.16367	11.5
295.17017	57.1
313.17950	100.0
331.18994	69.7
367.16373	7.6
373.19922	14.8
391.20959	56.2
429.96652	8.4
511.25436	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07076	1.8
91.05484	2.1
91.47938	1.4
92.17844	1.7
93.07047	2.7
95.04980	1.6
105.03382	11.9
105.07054	5.8
106.03751	1.8
107.04962	1.7
117.33828	1.2
119.08601	2.0
121.06541	6.0
121.10126	23.7
123.08043	2.2
131.04942	1.5
133.06459	10.1
137.02269	1.5
137.05963	10.4
143.14334	1.3
147.04471	7.3
147.08125	1.4
149.06004	6.6
161.05962	35.0
162.06755	27.3
163.07552	2.5
163.11191	1.4
167.07072	7.5
177.09236	1.5
179.07042	11.8
183.59039	1.6
197.09665	1.5
327.12268	21.2
339.08640	2.8
339.12289	26.8
339.15674	1.7
357.13513	6.8
493.26071	3.1
511.27170	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	511.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64846	3.3
55.05505	25.4
60.83760	4.3
67.05498	4.2
69.03426	20.6
69.07077	8.9
71.04990	6.0
79.05519	6.1
81.07058	41.6
83.08633	31.3
85.06532	23.8
91.05460	5.8
93.07018	8.5
95.08594	25.7
97.06491	4.8
99.08087	31.6
107.08589	26.6
108.17271	4.3
109.06512	16.9
109.10097	14.7
111.08070	22.7
119.08559	7.0
121.06460	5.1
121.10107	19.0
123.08050	10.0
125.09629	7.9
127.07546	9.7
129.09181	4.9
131.08585	7.4
135.11688	6.7
137.05963	22.2
137.09615	23.2
145.10104	30.2
147.11688	8.7
151.11197	5.1
155.10667	8.3
156.88330	4.1
157.10114	5.4
159.11673	18.3
161.09576	4.7
171.08057	5.5
173.09657	35.2
173.13304	6.0
177.67764	4.3
184.36082	3.8
187.11221	7.0
187.14749	4.9
191.10628	10.3
195.13863	4.8
201.12764	6.2
201.16637	4.2
205.12306	5.0
213.12712	7.7
215.14232	4.8
223.14864	5.6
225.12730	7.4
226.64479	4.6
231.13766	26.9
249.14861	30.8
255.17453	8.1
265.15833	6.2
283.16983	9.8
299.16589	4.9
301.17719	5.1
303.19623	21.2
321.95209	4.1
331.22784	20.5
347.22122	8.5
371.22125	34.1
373.23755	10.0
399.25284	36.5
421.27164	8.1
439.28549	25.1
457.29523	100.0
475.30612	69.2
511.22296	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	511.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
58.18284	1.7
59.81238	1.9
67.05521	15.7
69.07061	3.6
79.05489	16.8
81.07059	16.9
83.08619	4.8
84.11220	2.0
91.05465	9.6
93.07029	14.1
95.04965	3.6
95.08604	11.7
97.85607	1.9
105.06374	2.4
105.07035	10.9
107.08595	3.9
108.24396	2.3
109.39034	2.3
117.07023	3.4
119.08598	10.5
129.07063	8.6
131.08553	8.5
133.10120	8.4
135.11708	3.4
141.07111	2.2
143.08594	10.8
145.10141	9.5
147.11679	8.4
155.08588	3.5
157.10158	5.3
159.11652	3.1
161.13220	3.1
169.10098	9.5
171.11667	9.2
181.10139	4.8
183.11743	9.6
185.13274	4.7
195.11711	12.5
197.13228	5.1
204.61937	2.1
207.11745	2.9
209.13423	4.0
213.16406	4.6
221.13397	3.3
223.14746	3.9
225.81505	2.3
226.13922	2.8
233.12932	2.3
307.20477	3.4
335.23645	3.0
350.64850	2.2
419.29578	3.2
493.33087	4.8
511.34232	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	511.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24459	1.5
55.01871	1.3
55.05499	2.3
60.64910	1.6
61.42744	1.5
61.64733	1.5
67.05487	10.7
69.07063	3.7
69.17553	1.7
71.05030	1.8
79.05476	14.9
81.07042	14.8
83.08595	3.2
91.05473	11.7
93.07030	14.4
95.04977	2.4
95.08591	8.7
97.02894	2.0
103.76009	1.7
105.07031	11.0
107.08586	4.2
107.69041	1.8
109.10129	2.5
117.06992	1.9
119.08559	11.1
121.10096	2.9
122.77414	1.8
129.06975	3.1
131.08557	6.8
133.10103	6.7
133.99463	1.6
135.07968	1.9
143.08580	8.0
145.10115	8.7
147.11667	3.4
155.08484	2.8
157.10143	10.8
159.11751	3.1
169.10114	3.6
170.09126	1.7
171.11681	8.6
173.13203	3.3
181.10104	4.1
183.11684	8.4
185.13235	3.7
195.11682	7.8
197.13275	3.7
199.14793	2.9
209.13281	3.3
211.14833	2.0
213.16283	2.0
216.33664	1.8
346.57361	1.9
347.15219	2.7
401.28427	3.9
419.29370	8.8
455.31894	2.0
493.33038	9.5
502.24713	3.6
511.26660	3.6
511.34164	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	512.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.8
58.11588	0.2
58.40054	0.2
60.49743	0.3
69.03414	0.5
73.02914	3.9
89.27822	0.3
119.04926	0.4
122.03639	0.4
124.88747	0.3
131.04926	1.2
137.05972	100.0
151.07542	1.5
163.07516	3.0
175.07565	0.7
181.08589	16.6
219.38885	0.3
243.92505	0.3
295.11792	0.5
448.96326	0.3
517.14752	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	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.5
60.04516	2.3
61.96083	1.5
61.96397	1.6
66.56701	1.7
67.05479	1.7
69.03425	7.4
69.07053	8.7
69.09772	1.3
71.25443	1.4
75.95340	1.5
79.05483	8.6
81.03410	2.6
81.07034	2.3
85.02908	47.7
91.03891	1.6
93.07021	16.4
95.08607	2.4
97.02892	13.0
97.06500	1.5
99.04389	1.9
107.08582	23.5
109.02829	2.9
109.10102	2.9
125.13263	10.9
127.03896	12.9
135.11688	100.0
145.04956	12.7
153.12741	45.3
171.13782	46.0
252.17091	1.5
325.11209	2.6
333.19077	15.6
336.09760	1.8
471.31332	1.9
495.24402	7.6
512.34015	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	512.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26986	3.0
62.57264	2.9
67.05492	5.5
75.12113	3.4
79.05471	5.7
81.07052	5.4
90.67508	3.2
91.05465	8.7
93.07039	37.7
95.04956	6.2
95.08588	15.0
98.75822	3.3
105.03390	7.9
105.07028	19.7
107.04961	57.2
107.08585	21.0
109.10159	5.2
119.08549	23.2
121.06458	5.7
133.06483	13.8
133.10085	4.6
135.08060	21.0
137.09676	4.6
143.08546	19.7
145.10094	6.7
147.08084	4.0
149.06003	14.0
149.09641	14.7
155.08594	7.8
157.10101	17.7
159.11723	5.7
163.11205	3.8
167.08563	4.4
169.10101	37.7
171.11716	7.1
179.08568	16.8
181.10146	16.6
183.11711	13.6
185.13232	3.8
194.11780	67.4
195.11728	23.9
196.12430	5.3
197.09543	23.9
197.13234	7.8
199.11293	4.6
206.10896	14.2
209.13219	15.1
211.14861	32.1
213.12697	5.7
221.13213	26.2
223.14716	4.4
224.11945	14.0
227.14377	4.1
237.16605	4.1
238.29163	3.4
239.14273	100.0
251.17975	15.7
253.08530	3.9
257.15311	44.5
269.18842	4.0
279.17444	18.7
297.18488	22.1
299.16336	14.1
315.19543	19.8
317.17572	5.7
339.19745	5.1
356.09970	4.1
357.20566	14.3
359.18417	4.7
480.42883	4.3
512.22919	6.8
512.33038	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	512.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48249	1.1
67.88031	1.2
78.26708	1.3
78.50835	1.5
79.05480	5.5
91.05463	11.5
91.15610	1.3
95.08602	1.6
102.44485	1.4
107.04947	100.0
107.08556	2.1
120.08099	17.5
131.87286	1.4
137.05891	1.7
149.05984	35.5
180.10185	81.1
194.11836	1.7
196.09691	12.5
297.11429	1.6
315.19586	2.6
358.70538	1.4
377.28842	1.5
452.66534	1.5
512.29993	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87654	2.6
55.05513	3.9
58.44115	2.7
69.07065	3.5
73.56093	2.8
79.05506	7.6
81.07040	18.6
83.04976	4.3
83.08601	4.0
91.05476	20.2
93.07014	24.7
95.04976	34.8
95.08585	21.3
97.06554	4.1
105.07034	43.7
107.04945	16.7
107.08588	28.3
109.06480	7.3
109.10160	17.1
119.08617	26.3
121.10114	22.9
123.08097	13.4
123.11714	57.8
125.09605	4.7
128.06172	4.2
131.08537	25.8
133.06482	20.2
133.10123	100.0
135.08040	25.3
135.11737	6.5
137.09538	3.6
141.07056	3.3
143.08569	21.6
145.10132	22.7
147.08032	12.6
147.11691	14.6
149.05984	7.8
149.09622	19.4
151.07530	28.9
151.11208	4.4
154.76624	3.6
155.08560	7.8
157.10156	18.5
159.08073	5.5
159.11658	23.4
161.09595	20.9
163.11189	4.4
169.10063	11.4
171.11674	18.5
173.09581	6.2
173.13283	7.7
175.71304	3.2
177.09151	8.1
179.10651	17.9
180.10158	14.8
181.10106	4.8
183.11685	16.4
185.13245	13.4
193.10130	4.6
195.11736	14.3
197.13284	16.4
209.13243	6.7
211.14731	7.6
221.13116	3.8
223.14735	4.1
225.12813	5.4
235.14952	3.6
237.16388	5.4
251.17973	16.1
253.19498	21.8
263.18024	6.3
269.18912	6.6
271.20471	3.7
281.19116	28.6
299.19931	38.4
317.21054	7.3
359.22409	6.8
435.27405	31.1
471.31607	4.9
512.29974	7.5
528.98529	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	512.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	4.9
79.05499	9.2
81.07054	9.1
91.05479	38.6
91.05994	5.3
93.07014	8.9
94.02364	4.4
95.04930	4.4
95.08585	7.2
105.07026	81.5
107.04947	100.0
107.08611	20.3
109.06480	5.7
109.10150	5.8
109.20378	3.7
119.04894	6.4
119.08560	9.3
120.08105	22.2
121.10136	23.2
123.08035	17.7
123.11701	8.9
131.08459	4.1
133.06494	77.8
133.10149	17.7
135.08054	34.7
137.54980	3.8
142.67160	4.3
145.10101	16.3
149.05994	33.2
149.09648	13.5
157.10103	5.3
161.09615	15.8
162.09991	4.2
171.11725	8.1
173.13300	4.9
177.09096	3.7
180.10170	76.3
183.11749	6.3
194.11797	8.5
196.09692	21.0
197.13199	9.4
199.95656	3.8
253.19688	5.3
255.17252	4.9
281.19067	36.4
299.19901	38.4
317.21097	13.1
435.27423	21.6
441.32874	4.4
471.19763	7.8
512.30365	96.1
535.87335	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	512.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75169	1.2
51.19340	1.0
55.15123	1.1
65.39692	1.4
70.10998	1.2
79.05479	5.6
81.07049	1.3
84.76959	1.4
91.05435	1.4
93.07008	1.3
95.08612	1.2
105.03389	5.4
105.07047	2.3
107.04946	100.0
109.10143	2.3
119.08581	5.4
120.08059	4.5
121.10141	1.8
124.51735	1.2
133.10110	2.4
134.09659	1.3
149.05952	25.8
167.66257	1.2
180.10172	24.7
181.08562	1.3
194.11746	98.0
195.12070	2.1
201.86792	1.2
297.18384	1.4
315.19427	1.4
333.20840	1.7
373.83923	1.3
494.28885	2.9
512.33862	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	512.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75169	1.2
51.19340	1.0
55.15123	1.1
65.39692	1.4
70.10998	1.2
79.05479	5.6
81.07049	1.3
84.76959	1.4
91.05435	1.4
93.07008	1.3
95.08612	1.2
105.03389	5.4
105.07047	2.3
107.04946	100.0
109.10143	2.3
119.08581	5.4
120.08059	4.5
121.10141	1.8
124.51735	1.2
133.10110	2.4
134.09659	1.3
149.05952	25.8
167.66257	1.2
180.10172	24.7
181.08562	1.3
194.11746	98.0
195.12070	2.1
201.86792	1.2
297.18384	1.4
315.19427	1.4
333.20840	1.7
373.83923	1.3
494.28885	2.9
512.33862	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	512.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86251	4.1
54.56018	4.0
57.07067	30.1
59.52903	4.1
62.90028	4.1
71.08624	30.4
83.41060	4.2
85.10189	9.7
89.06026	100.0
100.22293	4.6
133.08612	29.8
177.11234	5.6
178.32570	5.4
327.20175	6.3
495.38956	58.5
512.41760	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	512.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.4
57.07077	5.0
57.48197	2.4
64.25535	2.2
69.07060	14.7
69.46719	2.1
73.83701	3.0
80.73933	2.4
81.07054	6.1
83.08613	16.2
92.18223	13.7
92.20660	2.2
95.08582	13.7
97.10159	6.2
109.06540	2.6
109.10143	12.6
111.04468	2.6
121.10110	3.7
123.08075	2.9
123.11636	3.2
127.03960	3.1
137.05997	15.9
139.07550	4.4
155.07051	3.1
158.53558	3.0
167.07028	4.2
387.35583	2.7
413.34000	4.2
426.93887	2.7
431.29733	4.8
431.35187	100.0
449.36243	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86452	2.2
62.42608	2.3
69.07065	19.7
76.82631	2.3
81.07053	5.2
83.08601	3.8
95.08630	6.2
97.10169	10.4
104.90221	2.5
107.08574	3.8
109.10153	3.8
111.04423	4.7
123.11682	2.8
130.82523	2.6
137.05974	10.9
147.11719	2.9
155.74213	2.9
189.12766	3.1
309.37689	3.4
406.77444	3.0
413.34158	13.9
431.35229	100.0
449.35776	11.2
495.66571	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	513.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84890	0.5
64.41700	0.6
65.32016	0.6
69.03423	1.0
85.02901	2.8
97.02888	0.7
98.97558	3.2
100.99104	0.8
127.03933	0.9
131.00131	1.0
133.03438	3.0
136.58984	0.7
141.04005	0.7
143.01927	1.6
155.01875	2.6
157.03482	4.4
158.99623	4.1
159.03307	1.1
159.05006	3.2
161.02847	0.9
171.04993	4.1
173.01205	2.7
173.02904	2.8
175.04457	0.7
177.00662	0.7
177.04329	6.0
177.06068	7.8
178.04892	2.8
179.01848	1.3
183.05063	1.1
185.02925	1.2
185.06580	0.9
191.02258	0.9
193.03616	0.9
195.07088	1.5
197.03008	1.5
201.04350	0.8
201.06087	0.9
203.04012	1.2
205.03685	0.7
207.04956	0.7
213.05992	0.9
219.01788	6.8
219.05307	2.0
219.07132	35.0
221.05168	5.0
225.06032	1.0
231.04877	1.4
231.07127	34.8
233.08716	10.4
235.06671	0.9
237.02791	4.1
245.05063	27.7
245.08772	1.5
247.04570	1.0
247.06812	1.5
251.04340	1.0
255.07143	17.1
259.06702	5.1
261.08221	4.0
269.05304	1.1
273.08218	12.5
285.08154	0.9
291.09271	1.1
303.09036	1.0
305.10754	2.9
319.08685	0.9
321.10370	100.0
337.08203	0.7
339.09488	4.6
340.10345	0.9
495.11652	7.1
513.12665	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1543
Annotation	Gnetuhainin F
Peak:m/z	Relative Intensity
55.58347	0.3
99.94526	0.3
109.06527	0.3
133.06490	22.8
135.04427	14.0
140.05569	0.4
165.62610	0.3
167.03375	2.0
177.05487	4.8
204.28706	0.3
223.18480	0.3
257.02859	0.4
281.08035	1.3
311.09018	5.2
321.07504	0.4
322.08344	29.7
337.10666	0.6
347.12711	3.6
348.06259	4.4
381.09705	11.1
409.08783	0.3
468.11957	0.5
469.12677	1.6
497.12540	4.0
498.12979	3.2
513.15436	100.0
528.97473	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	513.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11294	1.8
55.05520	2.6
56.32644	1.5
62.01643	1.7
67.05511	2.7
70.31924	1.6
72.31168	1.6
73.52631	1.8
79.05483	2.8
81.07041	3.0
91.05461	4.3
91.46251	1.8
93.07046	3.4
95.04963	2.9
95.08606	9.5
95.80429	1.8
97.06529	3.3
102.32565	2.1
104.25595	2.1
105.03400	51.4
105.07031	12.0
107.05030	2.5
107.08581	9.9
109.06528	3.5
111.08135	2.3
119.08569	10.9
121.06514	8.8
121.10095	4.0
123.08071	10.5
125.09609	3.5
129.06943	2.4
131.08549	8.5
133.06526	1.9
133.10138	7.9
135.08072	4.1
135.11679	1.7
137.09674	1.9
143.08566	10.9
145.10109	7.5
147.08038	3.0
147.11748	2.2
149.09651	3.0
151.07538	2.2
153.09064	2.1
155.08527	7.0
157.10147	3.4
159.08032	3.0
159.11671	4.6
161.09570	7.7
163.07547	2.1
163.11136	7.6
169.10115	11.5
171.08083	2.4
171.11731	3.0
173.09645	8.0
175.11215	3.5
181.10136	3.2
183.11632	4.5
185.09612	3.4
187.11211	3.5
195.11664	3.4
197.09497	2.1
197.13278	3.7
199.11177	1.8
201.12720	3.3
207.11646	2.5
211.11252	1.8
215.10654	3.4
220.12485	2.4
225.16444	2.3
264.88290	2.0
267.17398	2.7
295.16971	7.4
313.17999	15.9
331.18997	100.0
331.22983	3.8
391.20944	2.0
407.24106	1.8
432.98871	2.0
492.59210	2.0
513.24902	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	513.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
56.41243	1.6
58.29351	1.6
67.05502	3.3
67.87016	1.7
69.07066	2.2
70.73715	2.2
72.18883	1.8
79.05463	7.4
81.07040	3.1
83.04979	2.7
83.08617	2.9
84.98193	1.7
91.05463	3.7
93.07033	10.8
95.04965	15.5
95.08607	11.5
97.06519	4.5
105.03386	62.7
105.04505	3.0
105.07027	15.5
107.04938	2.6
107.08606	13.6
109.06525	3.6
109.10171	2.5
119.08556	12.7
121.06480	13.1
121.10120	9.4
123.08067	12.7
125.09574	3.6
131.08531	12.0
133.06476	4.1
133.10081	7.2
135.08034	3.7
135.11673	2.6
137.09644	3.9
143.08577	14.5
145.10094	8.8
149.09634	3.1
151.07510	3.8
153.09131	3.9
155.08582	8.4
157.10135	8.4
159.05058	2.0
159.08049	8.0
159.11684	4.4
161.05957	2.4
161.09625	10.8
163.11198	8.3
167.08545	2.1
169.10120	16.9
171.07941	1.9
171.11688	4.5
173.09636	8.4
173.13211	2.4
175.11241	2.9
181.10106	4.2
183.11678	9.1
185.09633	3.3
187.11209	3.7
191.10754	4.7
195.11662	8.3
197.09654	3.2
197.13199	3.4
199.11067	2.6
201.09171	2.4
207.11710	4.1
211.11113	3.0
211.14812	2.3
215.10660	4.1
215.14241	2.8
225.16370	3.4
227.14282	3.1
241.15942	3.2
249.16273	2.3
266.39453	1.9
267.17441	4.7
295.16888	3.1
313.18109	13.9
331.18988	100.0
391.21082	4.1
393.55255	2.1
430.80417	2.1
513.24957	21.3
539.56348	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	513.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49570	41.9
61.76980	48.8
72.90671	49.0
80.39283	56.4
86.31110	50.0
87.98376	51.9
90.40303	51.1
93.67241	48.3
94.71517	51.6
97.81559	56.6
105.07004	61.0
123.90466	51.3
130.67033	52.1
143.08597	69.6
147.07925	60.2
251.06232	56.9
315.19662	87.1
334.96677	57.4
351.21725	100.0
384.77301	55.5
402.32370	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.5
68.92743	0.7
69.07052	0.6
70.81026	0.6
71.04982	1.2
78.63605	0.7
79.05482	1.2
81.03384	1.1
91.05469	4.0
93.07028	5.5
95.04964	8.8
95.08580	1.1
105.07008	3.7
107.04937	1.4
107.08598	7.7
109.10142	2.8
111.04202	1.1
117.06990	1.1
117.57553	0.7
119.08574	9.1
121.10142	2.8
130.07761	1.2
131.58739	0.7
133.10120	20.8
135.08058	8.8
145.10132	8.2
147.11656	5.6
163.11166	3.0
171.11758	1.0
173.13277	0.8
183.11871	0.8
199.10925	0.9
211.25517	0.7
231.64587	0.7
305.18768	3.2
337.41153	0.8
365.20813	3.1
393.24051	5.9
398.93692	0.9
444.17752	0.8
447.99670	0.9
453.25943	1.3
513.28217	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	513.2827
Annotation	3-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN
Peak:m/z	Relative Intensity
56.25517	0.6
69.78928	0.6
79.05499	0.6
81.07069	1.3
91.05523	1.0
93.07038	1.4
95.08588	2.5
105.07011	3.4
107.08584	2.5
109.10150	0.9
119.08581	1.5
121.10144	1.4
131.08559	1.2
133.10139	1.1
133.75609	0.6
135.08064	3.3
143.08563	4.7
145.10120	3.3
147.11720	0.7
157.10164	3.0
159.11714	1.1
161.09624	0.6
161.13231	0.7
165.66270	0.6
166.07993	0.7
169.10123	0.9
171.11671	1.1
181.10176	1.1
184.07437	1.1
197.13329	0.6
205.42099	0.6
213.12852	0.8
223.14891	0.7
305.18735	5.6
334.40274	0.6
365.20493	1.8
381.27710	0.8
383.21631	0.7
393.24005	10.9
411.25287	7.9
453.26257	5.9
471.65576	0.6
474.16602	0.7
513.28217	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.49622	1.5
52.56306	1.8
54.31866	1.6
55.05516	2.3
61.02920	10.8
67.05500	11.1
69.07069	4.6
72.39097	1.8
73.02937	2.0
79.05497	14.3
81.03403	3.2
81.07056	18.8
83.08602	2.6
85.02920	5.0
85.06504	2.8
88.43374	1.9
89.39295	2.0
89.69478	2.0
90.64799	1.6
91.03925	2.7
91.05470	9.9
92.18533	2.6
93.07040	26.6
95.08607	10.8
97.02894	3.4
97.10130	1.9
105.03410	3.9
105.07024	11.2
107.08589	21.7
109.10150	3.3
112.96025	2.0
114.63532	2.1
117.07047	3.1
119.08572	24.7
121.10123	20.4
129.07005	3.3
131.08528	9.5
133.10141	21.5
135.11646	18.4
145.10124	11.4
147.11693	19.8
149.13264	12.6
159.11707	11.7
161.13231	19.6
163.11148	3.0
163.14746	3.4
171.11713	9.0
173.13222	4.6
175.11058	2.2
175.14830	4.9
185.13213	9.9
199.14917	3.1
213.16299	2.7
241.19490	10.3
259.20551	29.0
349.23926	2.2
351.25223	100.0
459.27628	2.7
477.28165	2.7
495.29538	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	513.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07597	3.0
52.07878	2.8
53.03944	3.3
55.05508	15.9
57.81861	3.6
61.80760	3.5
67.05503	64.6
69.07050	13.3
79.05497	86.6
81.03426	13.3
81.07059	65.8
83.04970	15.9
83.08589	6.0
91.05476	100.0
93.07038	80.8
95.04948	27.0
95.08595	37.7
97.06516	8.0
97.10126	7.2
99.21750	4.2
105.07029	62.2
107.04930	5.0
107.08581	28.2
109.10151	4.2
111.08123	3.8
117.07046	24.1
119.08583	51.1
121.06442	4.9
121.10132	18.3
123.08069	5.2
129.07010	33.6
131.08549	84.2
133.10126	37.1
135.11749	4.0
141.07007	5.9
143.08551	14.2
145.10083	32.3
147.08076	5.2
147.11665	33.4
149.09613	8.1
155.08539	7.3
159.11653	17.7
161.13200	8.1
169.10088	8.1
171.11682	36.3
173.13298	6.3
185.13266	7.4
187.14787	8.0
189.12764	3.7
195.11790	4.5
197.13240	13.9
207.13817	14.1
215.14278	17.8
233.15338	4.0
274.12485	4.1
281.17398	23.3
421.31180	4.5
495.30698	4.4
513.32153	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05507	14.1
67.05183	2.6
67.05512	51.4
69.03421	3.0
69.07050	12.6
79.05491	72.7
81.03413	6.7
81.07058	45.9
83.04976	16.1
89.05054	2.7
91.05475	72.1
93.07040	72.9
95.04955	18.2
95.08597	19.4
96.13406	2.7
97.06532	6.7
103.09300	2.8
105.07027	51.1
107.04932	6.6
107.08591	14.9
109.10123	3.0
117.07007	16.3
119.08569	33.9
121.06526	3.9
121.10141	15.8
129.07014	20.5
131.08559	59.4
133.06488	20.0
133.10115	19.1
135.04413	10.4
135.11638	3.3
137.18343	3.1
141.06960	3.4
143.08479	5.2
145.10112	23.9
147.11673	19.4
149.09625	6.7
152.73744	2.9
155.08525	7.0
159.11665	4.6
161.13235	6.6
169.10104	4.5
169.21806	2.8
171.11662	24.0
173.13252	11.3
187.14790	6.2
189.12726	3.6
189.98990	3.2
197.13261	18.2
207.13811	14.6
215.14339	16.4
233.15291	5.4
281.17389	26.3
309.16910	5.6
322.08347	15.9
335.24719	2.8
400.52789	3.5
414.82892	2.9
513.15485	56.3
513.32068	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05522	12.4
57.07074	5.4
66.21705	1.2
67.05170	1.4
67.05508	27.5
69.07059	7.5
71.08614	4.8
77.03955	1.7
78.31831	1.1
79.05499	52.2
81.07060	27.2
83.04965	5.0
83.08619	3.0
88.83903	1.1
89.06025	9.2
91.05488	22.8
93.07038	44.1
95.04955	8.6
95.08612	16.0
103.27700	1.3
105.07035	19.2
107.08575	8.0
109.06536	1.3
109.10146	2.7
115.86983	1.3
117.07021	6.5
119.08593	10.2
119.54330	1.2
121.10146	12.3
129.06998	2.3
131.08539	2.8
133.10103	5.2
135.11688	2.4
143.08557	3.0
145.10144	5.8
147.11713	12.1
171.11737	2.9
207.13800	4.7
295.13278	7.8
461.97702	1.4
496.39282	9.1
513.35760	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	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.11475	0.7
55.05514	9.1
55.30477	0.7
62.68540	0.8
64.19812	0.7
65.03917	0.8
67.05173	0.9
67.05510	22.7
69.07056	5.1
69.10162	0.7
70.11699	0.8
70.12618	0.8
79.05495	50.4
81.03406	4.4
81.07063	25.3
83.04984	5.2
83.08622	1.8
85.06520	1.7
91.05480	23.5
93.07043	38.7
95.04976	10.3
95.08601	16.1
97.06502	1.3
99.08063	1.1
105.04494	1.3
105.07031	17.7
107.04895	0.8
107.08595	9.5
109.06482	3.2
109.10133	3.9
117.07007	4.0
119.08604	11.2
121.06490	1.5
121.10123	14.0
123.08019	0.9
129.07056	5.7
131.08568	3.4
132.66721	0.7
133.10098	6.5
135.11687	3.7
141.15846	0.9
143.04933	0.8
143.08569	4.0
145.10115	5.3
147.11705	9.0
157.10179	0.9
159.11725	1.6
161.13197	1.7
171.11642	8.5
189.12773	1.0
207.13759	6.8
209.46849	0.9
211.14754	0.8
275.60757	0.8
336.31326	0.9
512.18518	0.9
513.35754	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	514.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31636	1.0
51.60411	1.0
51.61731	1.1
51.93582	1.1
57.03425	5.9
73.02904	8.5
91.05419	1.4
92.18546	1.4
97.02866	2.2
103.05466	6.0
119.04958	1.5
119.11813	1.2
131.04919	100.0
135.37355	1.3
137.05989	18.6
147.04410	21.7
149.05977	2.4
151.07550	6.0
151.21141	1.4
161.05978	2.6
162.06749	6.0
163.07524	61.3
173.17245	1.2
175.07513	17.7
179.07036	1.7
193.08545	14.0
200.49954	1.2
271.09677	2.2
297.10910	1.5
299.13010	1.6
301.21780	1.4
317.13824	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	514.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
56.05026	4.6
67.05485	7.2
67.60531	1.5
69.07061	4.1
74.06081	61.6
76.04006	4.7
79.05474	2.9
79.79076	1.7
81.07052	19.9
83.04992	3.0
83.08607	2.9
84.04479	3.1
85.02891	3.1
91.05439	3.1
93.07039	17.8
95.08609	33.8
97.06514	4.1
97.10146	12.8
102.05545	8.0
105.07030	19.1
107.08581	16.9
109.10159	27.6
111.08075	2.1
112.07589	4.2
113.07128	2.9
119.08563	33.0
120.06583	3.3
121.10132	15.2
123.08055	2.1
123.11700	13.1
125.05999	3.0
130.84462	1.8
131.08165	12.5
133.06075	20.8
133.10126	15.5
135.11667	10.0
137.09605	11.3
137.13228	3.8
143.07158	2.1
147.11702	24.3
149.09515	2.1
149.13182	3.1
151.75438	1.9
153.06604	4.0
157.10185	2.0
158.08099	8.7
159.07635	21.0
161.13248	3.2
163.14813	12.5
165.12723	4.1
165.16414	4.2
175.11171	8.0
187.14786	2.9
189.16440	15.9
193.12196	14.5
211.13245	2.9
234.10791	21.1
263.20117	3.5
276.26862	1.8
281.20770	2.3
288.48215	2.0
356.24420	8.7
364.24857	4.2
382.25952	7.9
427.84381	2.1
452.27548	4.1
496.30167	48.6
514.31238	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	515.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.0
77.70460	1.0
85.12573	1.2
98.97586	16.2
100.99166	1.5
110.97567	7.3
116.98601	3.0
119.46008	1.1
128.98552	5.4
138.64586	1.1
140.98569	5.1
143.00212	9.0
143.01892	2.0
144.98096	1.4
146.99644	1.8
152.98602	2.2
154.96399	1.4
158.99644	22.6
161.01175	2.4
170.99667	22.9
172.97601	12.0
173.01208	2.0
177.00644	6.9
182.99660	17.8
189.00684	14.0
190.98660	29.5
194.99623	1.9
201.00716	39.9
201.02466	3.1
203.02202	1.3
208.99693	22.2
213.00716	4.8
214.98657	16.4
219.01752	39.8
219.03673	2.8
231.01784	4.4
232.99687	45.7
235.06519	2.1
237.02779	17.4
243.01704	17.0
243.05450	2.2
244.99524	2.2
245.05045	2.6
251.00790	12.0
251.04405	4.5
261.02820	46.2
263.00681	2.5
269.05466	1.9
273.02728	6.5
276.94586	1.3
277.07654	1.7
279.03815	16.4
291.03882	2.0
292.49417	1.5
299.85327	1.2
317.01804	4.8
321.04773	1.7
328.78177	1.3
335.02631	5.2
353.04019	9.0
365.09070	2.7
381.06924	5.0
399.08279	4.7
434.44775	1.3
497.07843	6.9
505.26349	1.2
515.08966	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	515.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90322	0.7
56.93818	0.7
62.27203	0.6
64.50677	0.6
67.70046	0.6
74.20336	0.7
81.07053	1.1
85.02860	1.0
85.55337	0.7
86.54981	0.8
107.04970	2.8
133.10150	1.0
147.11711	0.8
151.11063	0.8
180.10216	4.0
181.10452	0.9
197.13173	1.0
203.05252	4.4
205.27823	0.8
217.32033	0.9
259.07901	4.1
289.68091	1.0
300.20190	1.0
318.21701	1.0
335.36304	0.8
347.09448	35.3
365.10596	1.3
501.01318	0.8
515.20984	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	515.2617
Annotation	Roridine E
Peak:m/z	Relative Intensity
53.71372	0.6
76.76240	0.7
78.99965	0.8
81.07065	0.7
83.01138	0.8
93.07057	1.4
95.08597	2.8
101.91566	0.6
103.54099	0.7
105.07048	1.6
107.08588	1.5
107.86533	0.7
113.02130	18.1
119.08555	2.8
121.10138	0.9
121.86735	0.7
131.08562	1.3
133.10135	1.3
135.08080	3.0
143.08589	1.0
145.10078	1.6
149.47682	0.8
155.08635	0.9
157.10219	0.9
159.11603	1.2
171.11790	0.7
183.11670	1.3
197.13293	0.9
252.23193	0.9
305.18784	3.5
344.41223	0.7
353.13220	0.7
365.20956	4.6
383.22128	1.7
395.22159	2.7
413.23087	1.4
455.24173	4.4
484.35037	0.8
515.26154	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05501	2.2
97.03345	1.9
102.81256	2.1
109.10973	2.1
283.41309	2.3
310.43677	1.9
366.84949	1.9
430.15616	2.2
515.24426	4.1
515.31891	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	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84398	1.0
57.03418	1.0
75.64319	0.9
78.46638	0.9
79.05486	1.6
80.52847	0.9
95.08612	1.9
103.43392	1.1
116.20847	0.9
119.08546	1.1
140.14891	0.9
200.44313	0.9
485.99118	1.1
515.31824	100.0
536.98199	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53884	4.3
55.05509	10.5
57.34934	3.8
62.81342	4.7
67.05504	70.8
67.36450	4.2
68.86641	4.6
69.07049	9.6
79.05504	45.5
81.07056	100.0
83.08609	6.6
91.05472	25.9
92.17894	13.4
93.07057	58.6
95.04961	5.4
95.08604	68.6
105.07034	32.1
107.08578	37.1
109.10144	36.8
117.07003	8.2
119.08572	24.1
121.10142	42.9
123.11709	10.6
131.08562	26.4
133.10141	25.2
135.11700	37.3
136.82510	4.6
142.58231	5.4
145.10146	27.0
147.11647	8.6
149.13211	11.1
159.11717	18.8
161.13216	6.8
177.16292	6.2
243.21242	9.5
261.22104	52.7
263.84778	5.4
335.25916	18.8
353.26782	33.1
497.31696	9.4
515.32910	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.2
55.19557	3.2
56.12936	2.7
57.03431	6.0
67.05509	97.3
69.07055	19.4
78.67951	3.2
79.05501	46.9
81.03377	4.0
81.07062	100.0
83.08615	17.6
85.02884	4.1
91.05493	23.1
93.07037	74.8
95.08599	76.4
97.02831	3.8
97.06540	4.6
97.10174	5.0
100.21002	3.6
105.07032	30.5
107.08588	49.6
109.10155	43.5
115.16994	3.2
117.06998	12.3
119.08577	22.7
119.23144	3.3
121.10133	66.0
123.08076	3.5
123.11694	20.0
131.08551	25.3
133.10083	16.8
135.11699	33.5
137.13255	4.8
145.10164	23.6
145.11182	3.2
147.11658	18.0
149.13234	26.5
159.11739	17.8
161.13243	19.7
163.14824	6.6
173.13249	19.6
175.14766	4.9
187.14812	6.0
243.21068	18.2
261.22052	78.7
335.25812	29.8
353.26871	44.7
479.29791	5.7
497.31049	27.8
515.23981	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	516.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	7.4
91.05472	1.4
93.07021	7.5
95.04903	0.9
95.08591	1.1
105.07037	4.9
105.88369	0.7
107.04955	100.0
107.08644	1.0
115.85403	0.7
119.08616	2.6
130.10936	0.6
131.08549	0.8
133.10091	2.6
134.09665	6.9
142.46632	0.7
143.08580	4.0
149.05977	16.4
155.08389	0.8
156.09343	1.0
157.10147	3.8
157.73143	0.6
159.11694	2.7
169.10123	1.1
170.10863	1.3
171.11678	2.8
179.08638	1.1
181.10136	1.5
183.11714	4.5
192.10182	3.7
193.10054	1.3
194.11768	69.7
195.11665	1.6
201.12709	1.1
206.10829	1.1
207.11722	3.5
208.12416	1.6
209.13290	1.3
219.11826	0.9
220.12535	3.2
221.13286	4.0
223.14784	0.8
233.13234	5.5
234.14087	3.7
248.15546	7.4
253.49394	0.7
263.17896	14.3
265.19440	1.0
323.20212	1.2
512.68793	0.7
515.13617	0.9
515.45966	0.8
516.31073	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	516.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03364	0.8
63.04770	1.2
66.02720	0.9
72.48573	1.1
79.05506	5.6
91.05488	2.0
93.07033	8.1
105.07030	4.6
107.04958	100.0
107.08643	1.9
119.08575	1.5
133.10178	2.2
134.09648	6.9
143.08534	4.3
145.10190	1.2
149.05988	17.8
155.08578	1.6
157.10139	2.6
169.10170	1.7
170.10945	1.3
171.11700	4.1
179.08566	1.4
183.11694	4.7
192.10213	1.7
193.10110	1.7
194.11768	67.3
201.12694	2.1
206.10800	1.3
207.11703	4.2
220.12488	2.4
221.13251	4.6
233.13240	5.7
234.13921	2.6
248.15610	7.7
263.17886	17.0
323.19946	1.7
460.66156	1.1
516.31110	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92610	0.5
55.72168	0.7
55.87537	0.6
56.42599	0.5
60.08176	1.1
64.39573	0.6
79.05497	8.6
91.05470	1.2
93.07034	6.9
95.08632	1.1
105.04532	0.8
105.07040	4.7
107.04950	100.0
109.10165	0.7
117.06983	0.9
119.08551	2.9
121.10170	0.9
131.08566	1.4
133.10106	2.8
134.09645	8.4
141.06973	0.8
143.08565	5.2
145.10143	1.4
149.05969	14.7
157.10168	3.8
159.11697	1.4
167.08620	0.8
167.91563	0.6
169.10057	2.3
170.10909	1.1
171.11690	3.9
173.13120	0.7
179.08549	0.8
181.10117	0.8
183.09999	0.5
183.11722	4.1
185.13237	0.9
188.24120	0.7
192.10231	5.7
193.10106	1.0
194.11768	66.0
195.11714	2.7
197.13214	0.8
201.12700	1.4
206.10963	1.6
207.11723	3.5
208.12419	1.2
209.13210	1.4
220.12534	2.8
221.13205	5.0
222.13963	1.0
223.14769	1.3
233.13235	5.1
234.14069	3.5
235.14749	1.2
248.15549	8.1
263.17892	16.2
265.19504	1.3
266.09833	0.6
316.42999	0.6
323.20178	1.5
326.43021	0.6
350.54132	0.7
365.00439	0.6
397.09174	0.7
454.81595	0.7
516.31091	64.6
525.08545	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	516.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52663	0.8
66.47294	0.8
79.05486	8.8
91.05470	1.7
93.07047	4.7
105.07006	5.4
107.04954	100.0
107.08547	1.2
119.08584	3.6
131.08612	1.2
133.10135	1.2
134.09647	5.4
143.08575	4.6
145.10072	1.4
149.05957	16.9
157.10130	4.1
158.16988	0.8
159.11774	1.1
169.10115	1.1
171.11707	1.8
173.13362	0.9
179.08469	1.2
181.10097	1.5
183.11716	3.6
192.10223	4.8
193.10159	1.4
194.11768	76.2
195.11658	1.2
201.12706	1.8
207.11621	3.7
208.12486	1.9
209.13295	1.6
220.12573	1.6
221.13290	5.8
233.13277	4.5
234.14014	2.0
235.14905	1.5
248.15729	6.6
248.88838	0.9
263.17911	13.2
265.19571	1.8
297.75708	0.8
322.18759	0.8
323.20056	1.2
339.23523	1.2
356.42804	0.9
465.73590	1.2
516.31091	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64000	0.6
53.38412	0.6
60.95801	0.7
67.59965	0.6
68.07470	0.7
79.05492	6.0
91.05476	2.9
93.07052	5.5
95.04953	0.9
95.08582	1.2
100.63223	0.6
105.07021	4.4
107.04957	100.0
107.08613	1.6
109.10167	0.7
119.08580	3.8
121.10146	1.1
131.08578	0.9
133.10115	1.6
134.09663	10.1
142.07646	1.0
143.08571	4.4
149.05984	16.6
157.10126	2.9
158.51155	0.7
159.11691	3.9
167.08505	0.8
169.10112	1.3
170.10864	1.5
171.11690	3.9
177.56166	0.7
181.10071	1.0
183.11681	4.3
192.10216	3.8
193.10158	1.6
194.11768	68.5
195.11748	1.0
197.13284	1.4
201.12714	2.9
206.10947	1.6
207.11647	4.3
208.12488	1.5
209.13275	1.2
219.11624	1.0
220.12433	2.9
221.13266	5.7
223.14990	1.1
233.13257	5.6
234.14044	3.4
235.14908	1.7
248.15648	8.4
263.17920	17.0
265.19492	1.0
323.19965	1.7
390.52917	0.8
516.31079	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61362	1.4
59.94500	1.7
63.76781	1.3
67.05496	3.8
69.03431	2.7
69.07069	2.0
79.05498	2.5
79.31165	1.6
81.03389	2.2
81.07063	14.2
85.02917	12.3
85.06533	2.4
91.05486	2.9
92.18475	1.7
93.07038	31.4
95.04961	2.4
95.08590	26.3
97.02847	2.4
105.07011	17.0
107.08596	24.9
109.06520	7.4
109.10146	17.5
110.34537	1.4
111.08089	3.5
117.07021	2.7
119.08575	17.8
121.10155	13.4
123.08088	2.4
123.11700	2.0
125.09602	3.0
127.03867	2.7
128.61942	1.5
129.06976	1.9
131.08572	17.4
133.10129	34.0
135.11673	3.9
137.09593	2.5
143.08513	6.5
145.10117	25.1
147.11678	28.4
149.09633	1.6
154.13972	2.1
155.08516	3.6
157.10115	17.8
159.11670	16.4
161.13225	14.8
163.14740	1.9
167.10706	6.4
169.10072	1.7
171.11652	18.8
173.13257	32.4
175.11125	15.6
175.14771	1.9
181.10126	6.3
183.11641	11.6
185.13205	9.9
187.14784	3.7
189.12743	8.7
191.14305	10.6
195.11713	6.5
197.13217	3.6
199.14861	8.0
209.13228	11.0
211.14874	2.5
213.16353	6.7
223.14827	8.7
225.16422	6.4
227.14314	3.2
241.15828	2.2
253.19490	6.9
255.21298	4.9
261.18567	2.0
265.19434	21.0
273.21997	1.9
283.20523	100.0
301.21597	62.5
319.22650	8.6
463.26984	9.7
516.20062	2.2
516.31769	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	517.1132
Annotation	Bacillisporin A
Peak:m/z	Relative Intensity
56.64201	0.3
71.08601	0.4
77.67207	0.4
81.27648	0.4
81.64881	0.3
96.43407	0.5
103.16100	0.4
103.21501	0.4
130.13327	0.4
163.28452	0.4
167.03384	20.5
167.04790	0.7
266.05649	0.4
281.08102	2.0
284.76370	0.4
305.08176	0.9
309.07544	1.7
351.08630	6.0
377.06601	0.8
417.05936	6.3
459.06851	5.5
472.27866	0.5
475.10260	1.5
485.08646	11.8
517.11285	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	517.2046
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
95.01087	0.6
104.00377	0.5
113.02122	1.2
133.03177	0.5
137.05978	1.0
142.61728	0.6
142.77466	0.6
145.14183	0.6
155.03168	6.2
164.97789	0.6
189.05261	1.3
204.07570	8.5
205.08435	1.0
211.23802	0.6
229.51122	0.6
255.54744	0.6
351.58356	0.6
371.79025	0.6
385.16348	0.9
506.60788	0.7
517.20447	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	517.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80595	4.4
69.07065	8.8
74.88868	5.0
79.05489	9.7
81.03395	5.4
85.02909	25.3
90.08508	5.0
91.05450	5.9
92.17877	5.3
93.07054	12.6
95.04979	10.0
95.08571	6.0
105.07027	24.0
107.08602	12.5
108.19988	5.0
109.06468	6.0
109.10155	9.6
111.04425	6.0
119.08588	23.8
121.06510	4.9
121.10133	41.5
131.08551	10.9
133.06488	6.7
133.10120	21.0
143.08575	21.1
145.10110	10.3
147.08037	12.8
151.07550	6.2
155.08554	8.8
157.10136	12.9
159.08009	12.3
159.11678	10.7
161.09590	13.1
163.11269	5.2
165.06834	6.1
167.08549	9.8
169.10104	24.3
171.11598	12.9
173.09605	9.4
173.13222	22.4
175.07550	6.2
179.08606	8.3
180.09322	10.6
181.10129	12.6
183.11676	24.8
185.09657	10.0
185.13272	7.3
187.11241	12.1
192.09355	11.6
193.10162	23.4
195.11687	31.3
197.09633	6.2
197.13234	23.3
199.11206	7.0
201.12717	21.7
207.11702	26.3
209.09702	6.1
209.13225	11.1
211.11194	27.0
211.14777	8.9
219.11732	12.0
220.12469	6.0
221.13382	7.9
223.11050	7.5
225.12729	21.8
234.14082	8.3
235.14754	6.9
237.12794	5.7
239.10712	8.3
239.17944	6.0
249.12740	5.4
249.16412	30.8
253.12209	11.6
255.36897	5.2
262.13620	21.6
267.17404	41.9
277.15884	38.4
283.17004	6.8
295.16925	100.0
313.18015	72.8
337.18201	5.9
355.18982	56.9
373.20032	12.4
415.21152	40.5
475.23132	41.9
517.24176	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	517.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95318	4.5
52.83821	4.4
53.46323	4.7
54.24129	4.4
66.95547	5.5
69.07050	20.8
69.60712	4.7
72.20089	5.8
81.07070	8.1
81.74159	6.0
83.04963	12.0
93.07060	8.3
95.08604	11.2
97.06519	25.2
105.07016	28.1
107.04963	65.3
107.08596	12.4
117.34779	4.9
119.08591	11.4
123.08076	30.4
131.08575	10.4
133.10135	7.6
135.08049	7.9
137.09642	9.9
143.08556	21.3
145.10121	10.4
147.08087	9.0
149.05983	7.7
155.08519	12.2
157.10106	13.0
159.08054	21.6
159.11667	9.7
161.09581	9.7
167.08565	9.2
169.10071	44.0
171.08112	8.3
171.11684	11.7
172.08862	6.2
173.09590	34.8
179.08493	22.3
181.10126	22.3
183.08022	8.4
183.11688	25.0
185.09673	13.0
187.11163	26.7
189.09053	6.1
192.09171	6.3
193.10219	25.2
194.11758	23.5
195.11862	48.5
197.09590	67.3
197.13281	11.8
201.12700	8.4
205.10078	9.2
206.11050	7.0
207.11703	34.8
208.12451	6.4
209.09758	8.9
209.13271	8.3
211.11217	20.5
211.14992	5.4
213.12781	26.5
215.99538	5.7
219.11723	11.8
220.12511	11.5
221.13202	9.4
223.11125	19.5
223.14702	17.5
225.12674	24.3
230.11011	6.2
234.13997	25.5
235.11176	8.9
237.12721	6.0
237.16350	9.1
239.10698	8.7
241.12292	6.6
241.15892	9.1
244.12523	9.2
247.11253	12.8
249.16383	42.8
251.14362	10.2
252.09106	6.0
253.12093	20.9
253.15930	12.9
259.14740	10.5
262.13449	30.7
265.15863	19.7
267.17371	39.7
277.15909	56.4
283.17004	13.2
295.16870	100.0
313.17889	39.2
337.17810	12.5
343.19000	9.9
355.19150	56.5
373.19986	6.9
415.21140	37.7
517.31403	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	517.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95526	3.7
54.52501	3.8
57.05683	3.6
64.32820	4.1
67.05520	7.3
69.50500	4.5
74.06081	4.2
78.54153	4.1
79.05477	7.1
81.03453	4.5
81.07073	6.5
83.04942	4.7
91.05479	4.9
93.07016	5.4
95.04980	6.1
95.08583	7.2
105.07015	18.1
107.04954	8.0
107.08596	9.8
109.06528	8.8
112.76472	5.0
117.06976	5.9
119.08563	10.3
121.06541	5.4
121.10117	6.1
123.08064	7.6
131.08569	9.6
133.06456	4.9
133.10106	6.0
133.92064	4.5
135.08063	7.7
137.09601	6.4
143.08528	7.8
145.10141	7.7
145.54782	4.2
149.09581	10.6
155.08583	9.5
157.10095	10.2
159.08086	17.3
159.11726	19.7
161.09631	7.3
169.10120	18.1
170.73509	4.7
171.11647	19.3
173.09586	21.9
175.07487	8.1
177.12715	27.5
179.08574	5.0
181.10052	7.1
183.11722	8.3
185.09653	6.9
187.11073	9.3
189.12674	7.0
192.09520	4.6
193.10049	6.5
195.11697	8.7
197.09645	6.8
197.13272	11.0
199.11174	21.1
201.12756	10.0
205.12222	20.0
207.11700	9.9
209.13223	6.0
211.11131	18.1
211.14752	4.7
213.12740	9.7
215.21873	4.8
217.12183	7.9
219.11763	5.3
220.12312	6.8
223.11234	5.6
223.14879	5.1
224.11911	5.5
225.09187	5.5
225.12743	8.1
234.13823	5.7
235.14725	6.4
237.12646	9.2
249.16394	18.3
251.14342	5.7
262.13635	8.5
267.17410	25.1
277.15945	24.7
295.16962	84.8
313.17905	79.0
337.18048	9.9
355.18961	30.3
369.69080	5.0
373.19940	17.0
397.20270	6.6
415.21109	18.5
475.23322	9.9
517.24261	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	517.2774
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
59.26301	0.5
59.50683	0.5
63.87286	0.5
65.20618	0.5
89.40485	0.5
90.59603	0.6
91.05518	0.9
92.17914	0.7
93.07024	1.3
93.48478	0.6
95.04948	1.0
95.97713	0.6
105.07001	3.7
105.38326	0.6
107.08593	1.0
118.60535	0.5
119.08578	0.8
121.10133	0.7
123.08102	0.8
131.08565	1.0
133.06462	2.1
133.10132	3.9
141.05226	18.2
141.24930	0.6
151.07545	2.7
223.27203	0.6
295.43704	0.5
315.04022	0.6
332.20950	0.5
339.19385	4.1
427.24542	3.6
457.25568	21.9
517.27722	100.0
519.13251	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	517.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	26.8
67.05495	1.6
67.88277	1.2
72.58269	1.2
72.73335	1.1
79.05502	1.3
83.04981	100.0
88.56476	1.0
93.07037	2.2
95.08593	6.6
105.07001	4.5
107.08572	6.0
119.08553	10.7
120.67782	1.1
121.06490	1.4
121.10114	2.7
123.08039	2.0
131.08554	3.0
133.10100	1.5
135.08043	8.5
143.07043	6.1
143.08559	2.3
145.10109	4.8
147.08083	1.5
149.09602	8.0
157.10149	1.8
159.11696	1.2
161.09612	6.4
161.13315	1.1
163.11201	2.2
169.10080	1.2
171.11685	2.7
173.13258	2.0
175.11211	2.0
185.09581	1.4
185.13338	1.5
195.11618	2.4
199.11116	1.6
209.13327	1.5
213.12646	2.7
213.16397	1.4
227.14259	1.7
237.12726	1.3
241.12311	1.3
241.19492	2.8
251.17995	6.3
269.18930	15.0
279.17435	12.6
297.18478	44.3
397.23715	5.2
457.26019	2.4
535.18640	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	517.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
69.07061	2.2
79.05496	5.6
81.07044	11.0
83.04981	9.3
85.29027	2.3
87.56867	2.3
91.05479	12.8
92.69128	2.1
93.07041	11.6
95.04971	3.8
95.08602	12.8
105.07055	19.0
107.08611	30.9
109.06522	3.7
109.10181	3.4
116.48707	2.1
117.06997	5.6
119.04920	2.8
119.08597	30.8
121.06435	2.7
121.10126	4.8
129.07027	3.4
131.08572	15.7
133.06538	8.3
133.10138	13.0
135.08057	100.0
137.09644	2.8
142.67198	2.4
143.08577	16.4
145.06523	4.4
145.10135	13.3
146.07236	3.8
147.08046	4.5
149.09644	2.2
155.08565	10.0
157.10143	15.0
159.08035	4.0
159.11688	5.7
161.09595	61.0
163.11183	4.6
167.08549	5.6
169.10123	12.9
171.08076	4.0
171.11684	3.4
173.09599	3.2
176.76285	2.1
179.08545	3.5
180.09354	3.4
181.10153	13.1
183.11684	12.4
184.56500	2.2
193.10066	4.5
195.11655	17.1
199.11172	3.9
206.10931	2.5
207.11717	5.3
208.12505	3.7
209.13309	15.5
213.12701	4.2
221.13226	4.5
223.11221	3.2
224.12016	2.2
225.12810	4.4
237.16376	3.7
239.14209	3.5
241.12138	3.4
246.13950	4.0
251.17964	17.4
261.16516	4.3
269.18964	11.0
279.17422	37.0
297.18451	68.7
301.01291	2.3
339.19595	10.0
357.20596	5.1
457.26053	3.2
517.28174	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	517.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
58.89253	1.6
65.25092	2.3
68.64034	1.6
70.27312	1.9
71.07825	2.2
72.54595	1.7
72.86525	1.7
81.07031	3.1
83.04973	13.0
93.07069	2.8
95.08604	2.3
102.00169	1.9
102.43234	2.3
105.03420	18.9
113.21680	2.0
119.08573	11.2
121.06557	2.0
121.10160	3.2
131.08612	1.9
134.57144	2.6
135.11711	2.5
145.10123	8.9
157.10152	3.9
159.11674	3.0
161.09608	3.3
167.08623	2.4
169.10120	4.7
171.11627	2.2
181.10130	12.5
183.11665	4.3
185.09596	2.6
185.13336	2.5
195.11702	30.7
197.09584	3.4
197.13193	3.9
199.11188	2.0
199.14850	8.6
201.12650	2.4
207.26566	2.4
209.09714	3.3
209.13220	25.3
213.12756	4.2
219.11559	2.3
221.13225	3.9
223.11174	12.7
223.14769	18.9
227.14352	2.9
227.17929	7.6
237.12718	12.3
237.16345	38.4
251.17964	36.0
253.15816	2.6
255.13841	4.6
255.17461	4.6
261.16443	5.1
269.18976	10.2
279.17441	76.9
293.15311	3.5
297.18488	100.0
339.19489	24.6
399.21945	3.7
462.45480	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	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67737	3.6
51.58370	2.9
55.23145	3.4
56.77904	3.6
67.05512	4.9
69.03408	15.1
79.05477	3.7
81.03419	53.6
81.07055	6.4
89.26921	3.5
91.05456	15.3
93.07050	41.8
94.24597	3.5
95.04964	24.5
95.08604	22.1
105.07030	23.1
107.08597	42.1
107.53995	3.7
109.10168	6.6
117.07005	4.3
119.08576	20.1
121.10152	19.8
131.08568	7.0
133.06477	5.8
133.10135	45.8
135.08055	99.8
143.08517	4.8
145.06465	13.9
145.10118	22.2
147.11717	7.3
157.10138	5.7
159.07935	3.9
161.09604	100.0
163.11104	6.5
171.11736	5.7
201.12785	6.2
227.14273	4.8
241.15916	6.3
255.20959	3.6
283.20572	58.8
343.22592	14.9
428.56345	3.9
478.94839	3.8
515.21497	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	517.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04502	1.8
55.05516	18.2
55.48479	2.0
57.03456	4.8
57.07074	10.3
64.96224	2.1
65.66347	2.6
67.05507	64.5
67.84219	2.4
69.03442	2.5
69.07077	24.9
71.08646	2.5
74.57293	2.4
79.05489	15.3
81.07065	97.8
83.08635	23.7
85.10211	3.4
91.05500	10.7
93.07042	27.0
95.04953	2.7
95.08606	100.0
97.06542	3.5
97.10145	11.7
99.08078	3.1
105.03352	2.8
105.07030	9.8
107.08623	17.6
109.10159	46.2
110.45341	2.3
111.08069	3.8
111.11698	3.1
119.08569	16.3
121.10139	22.7
123.11713	24.6
133.10132	20.6
135.11693	17.4
137.13272	11.6
147.11667	15.6
149.13300	6.1
151.14822	3.4
161.13228	19.6
163.14845	4.6
165.12688	2.7
165.16417	3.7
175.14827	12.7
189.16342	4.7
195.97644	2.6
245.22655	41.8
263.23685	62.3
337.27310	44.1
355.28430	10.6
385.93646	2.6
447.89993	2.5
499.32794	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	518.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58670	0.7
57.03435	0.8
72.52644	0.9
74.45887	0.7
79.58916	0.8
81.07057	5.0
84.35439	0.8
84.62191	0.8
85.02913	1.7
86.09705	1.3
95.08599	2.0
107.08645	0.9
109.10164	1.6
121.10150	1.5
123.04425	13.3
123.08072	1.2
123.11620	1.1
133.10101	1.0
139.03876	1.1
145.10175	1.0
147.04379	10.2
151.03896	81.1
153.08931	0.9
163.03889	1.8
165.05473	8.6
177.05479	3.5
201.09207	1.5
219.10153	100.0
303.08612	1.9
308.80405	0.9
371.14828	21.3
518.23798	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	518.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79317	0.5
57.03449	0.8
57.07064	4.5
57.88157	0.7
60.08152	3.4
62.93389	0.5
62.99265	0.5
67.05458	0.6
67.18941	0.7
71.07366	1.1
71.08640	5.8
74.58371	0.6
75.95090	0.7
81.07043	1.0
83.06346	0.7
83.08604	0.8
85.10167	1.4
86.09708	23.1
95.08602	4.0
104.10742	100.0
109.10109	0.7
123.11661	1.0
129.66042	0.7
131.36557	0.7
146.98167	23.2
166.70300	0.6
173.24133	0.7
176.99167	1.4
188.25787	0.7
313.27350	13.7
459.24796	24.9
518.32153	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	5.0
71.07360	1.4
81.07059	0.3
85.70314	0.4
86.09703	24.3
92.17719	0.4
93.07064	0.5
98.98457	0.7
104.10760	2.4
125.00001	13.2
178.04906	0.3
184.07330	100.0
207.47142	0.3
219.88564	0.3
328.32724	0.4
351.83243	0.4
493.92316	0.4
500.31229	1.6
518.32440	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17814	0.5
50.54050	0.5
51.20604	0.5
55.05504	0.5
60.08167	13.9
64.85439	0.7
65.76649	0.5
67.05489	1.0
69.07065	0.6
71.07360	2.8
73.90686	0.8
79.05470	1.0
81.07069	1.2
86.09702	43.9
93.07034	1.4
93.36799	0.7
95.08588	1.1
104.10741	82.2
107.08595	1.0
108.28199	0.7
122.96440	0.6
124.99989	17.1
163.01584	0.7
184.07323	100.0
500.31451	5.4
518.32379	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
60.08171	5.4
64.45174	0.2
66.69785	0.3
67.05503	0.2
71.07352	1.0
79.05482	0.2
81.07053	0.2
86.09708	24.1
88.89527	0.2
98.98461	0.5
104.10738	2.4
106.49298	0.2
125.00001	11.4
126.76147	0.2
127.90305	0.2
160.43686	0.2
180.63196	0.3
184.07333	100.0
188.76346	0.3
199.43413	0.3
219.87646	0.2
237.89819	0.2
331.75137	0.2
403.04303	0.3
500.31201	1.7
518.32373	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	519.1837
Annotation	Vitecannaside B
Peak:m/z	Relative Intensity
61.27612	1.0
61.46152	0.9
61.56518	0.9
76.79897	0.9
79.05955	0.9
91.75305	0.9
95.01091	1.6
113.02131	4.0
115.17088	1.0
155.03145	5.3
160.43123	0.8
229.36588	1.0
229.39059	0.9
310.33353	0.9
335.11215	1.6
472.00299	1.1
519.18359	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	519.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
53.38182	0.9
55.35369	0.9
69.07067	1.3
77.03929	2.0
81.07044	1.2
95.04964	7.9
95.08557	1.0
95.32924	1.0
97.06545	2.6
105.03388	100.0
105.04499	3.5
105.07015	1.5
107.08643	1.2
123.08032	1.6
123.09511	1.0
129.07033	1.0
131.45395	1.0
137.09642	1.3
149.09637	1.3
155.08524	2.3
157.10132	2.2
157.78380	1.2
165.06998	4.7
166.07748	6.0
167.08488	1.7
169.10153	4.2
178.07739	1.4
179.08615	1.3
181.10112	55.9
183.11688	1.4
185.09572	1.1
187.11116	1.3
187.22314	1.1
191.08469	1.6
192.09331	36.3
193.10117	6.9
195.11716	4.8
199.11214	1.9
205.10335	1.0
206.11012	1.7
207.11676	32.6
209.09644	7.7
209.13342	1.4
211.11234	1.8
217.10092	1.9
220.08823	5.9
221.13208	1.3
222.10355	2.0
223.11208	8.4
225.12724	4.9
235.11143	23.8
237.12718	4.4
251.17953	1.3
253.12238	14.6
261.09906	1.1
267.17459	4.9
279.17392	7.1
295.13306	38.9
297.18567	6.3
315.13678	1.6
315.19498	1.9
357.14929	7.9
357.20499	1.9
399.16125	1.4
417.22681	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	519.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14933	8.1
56.53715	7.6
57.03429	40.6
61.02932	8.7
69.03430	12.8
70.31399	7.7
73.02924	66.1
81.07073	10.2
88.80163	8.3
91.05471	13.0
93.07014	46.8
95.04949	39.2
97.02888	11.3
104.10743	11.7
105.07028	58.8
109.06542	16.0
115.03978	10.1
119.08585	52.9
121.06512	47.7
121.10133	35.2
131.08545	42.0
133.06476	20.0
133.10101	93.0
135.08078	10.7
137.05902	10.7
143.08553	17.0
145.06427	12.4
145.10152	14.1
147.08060	12.3
149.05992	45.9
149.09592	10.7
155.08571	10.6
157.10143	11.4
159.08066	52.1
160.08821	36.4
161.09592	80.2
162.56004	9.7
169.10188	13.8
171.11685	16.1
173.09656	16.0
180.09355	9.8
182.07748	9.3
184.07323	21.7
193.10155	15.8
194.11026	11.5
195.11690	11.6
196.12419	11.2
197.09647	17.4
207.11783	12.3
209.13216	11.6
211.11288	10.1
221.09377	9.4
221.13316	10.1
223.11143	11.2
235.14807	9.7
263.14371	9.6
281.15292	14.9
309.14777	37.6
327.16052	17.1
372.14301	8.6
387.18124	58.1
448.44238	9.7
519.21722	100.0
519.32739	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	519.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04515	0.5
53.03946	3.1
55.00814	0.5
55.05502	0.7
57.30024	0.4
69.07045	1.1
77.03919	1.3
79.05497	1.2
81.07059	1.0
83.04939	0.7
91.05481	2.8
93.07046	2.8
95.04965	11.4
95.08585	1.1
105.03389	100.0
105.04523	4.6
105.07025	12.8
107.04926	1.0
107.08547	4.2
109.06544	0.8
109.10107	0.6
117.06995	3.0
119.08553	4.6
121.06490	0.9
123.08136	0.8
129.06992	0.8
131.08543	3.5
133.06477	1.3
133.10118	1.2
135.08060	5.5
137.09575	0.7
139.91425	0.6
143.08554	2.7
145.06496	0.8
145.10089	2.6
147.08029	1.2
149.09613	1.3
153.07072	0.6
155.08510	3.8
157.10104	1.3
159.08012	2.5
161.09598	3.7
161.13304	0.7
165.07043	0.6
167.08490	1.2
168.09270	0.8
169.10141	6.1
173.09601	2.2
175.07632	0.5
177.09114	6.0
179.08514	2.1
181.10081	1.2
183.07996	1.1
183.11662	2.3
185.09604	0.9
192.09338	2.2
193.10100	7.1
194.11040	0.8
195.11780	1.2
197.09627	2.3
197.13272	2.8
199.11150	0.7
205.10165	2.1
206.10893	3.0
207.11665	8.0
209.09610	0.8
211.11147	4.6
213.12793	0.6
219.07924	0.7
219.11679	5.7
220.12508	5.5
221.13248	2.5
223.11142	2.5
223.14836	1.0
225.12724	6.1
225.16463	0.7
229.09987	0.8
234.13956	5.1
235.11185	2.4
235.14874	3.5
237.12801	1.2
239.10794	0.7
244.12570	1.2
247.11200	3.2
249.16347	7.3
251.14297	0.7
253.12172	7.5
253.14816	0.6
253.15704	0.6
259.14853	0.9
262.13498	2.5
265.15857	0.5
267.17401	3.5
277.15851	20.1
295.16861	14.0
313.17993	2.8
337.17993	2.9
355.19046	2.4
397.19980	0.7
399.19406	1.3
417.20462	0.7
459.21707	0.8
477.22690	3.6
519.40002	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	519.2564
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
50.38062	0.4
62.11853	0.4
65.97401	0.3
72.96648	0.4
81.07043	0.6
87.65993	0.4
93.07020	0.5
95.08605	0.5
104.06192	0.4
120.39333	0.3
121.10091	0.5
137.05952	4.1
147.69949	0.4
185.04239	0.5
203.05273	1.6
297.11301	0.4
357.20309	6.7
443.20642	2.9
461.21182	2.6
519.25641	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	519.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12344	4.4
53.72513	4.4
56.45121	3.9
67.05476	5.6
69.07063	8.5
73.51310	3.9
79.05483	5.9
81.07048	5.6
83.04948	4.9
91.05467	5.2
93.07044	8.8
93.31420	4.9
95.08598	6.4
97.06525	18.5
105.03353	5.2
105.07043	31.2
107.04911	5.0
107.08572	20.2
109.10172	5.4
111.08105	8.8
119.08564	21.8
121.06448	7.2
121.10117	5.1
123.08042	11.0
125.09637	4.8
128.06314	4.6
129.07007	8.6
131.08546	21.3
133.10138	11.1
135.08014	5.3
137.09596	10.3
139.74208	4.1
143.08572	27.0
145.10091	17.4
147.08063	18.1
149.09615	9.7
155.08559	27.1
157.10115	18.6
159.08090	7.6
159.11615	8.7
161.09642	19.6
163.11174	5.8
167.08488	7.6
169.10109	35.2
171.11623	10.6
173.09653	17.9
175.11163	7.0
179.08626	5.6
181.10077	57.4
183.11725	24.9
185.09596	6.5
187.11183	10.7
190.81419	4.3
193.10110	11.2
194.10999	6.8
195.11746	32.2
197.09625	8.9
197.13199	6.4
199.11186	28.5
201.12704	6.0
205.10133	5.7
206.10855	6.1
207.11673	30.9
208.12401	6.2
209.09563	7.2
209.13234	36.6
211.11308	5.9
211.14799	6.0
213.12766	6.5
219.11708	6.9
221.13301	10.0
222.10393	5.8
223.11142	5.8
223.14597	7.8
225.12735	8.4
227.14319	8.6
235.14738	6.7
236.11932	6.2
237.12762	24.1
237.16451	6.6
246.14035	6.1
249.12614	7.5
249.16327	5.8
251.17865	20.0
253.15854	8.4
255.13779	6.0
261.16257	7.6
264.15012	5.2
267.17493	34.2
267.20148	4.6
269.19437	5.5
279.17407	100.0
297.18451	66.7
315.19604	9.9
339.19458	19.7
357.20557	42.5
380.24475	4.8
399.21298	7.0
417.22650	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	519.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01180	1.2
53.03967	1.5
55.05514	2.3
57.03443	1.8
62.05727	1.5
64.58386	1.3
67.05499	7.7
69.03403	2.7
69.07062	9.1
79.05497	11.1
81.03410	6.1
81.07056	9.5
83.04974	3.6
83.08621	6.3
85.06554	2.4
90.89906	1.3
91.05470	9.4
93.07033	13.6
95.04939	3.6
95.08595	9.8
97.06519	3.6
103.05416	1.7
105.07030	19.0
107.04945	3.4
107.08602	24.7
109.06519	3.4
109.10148	11.2
111.07996	1.8
115.05454	1.9
117.07005	2.5
119.08572	32.2
121.06490	5.6
121.10130	15.8
123.08065	9.2
125.09599	1.9
129.07011	5.9
131.08537	19.2
133.06477	7.0
133.10103	15.2
135.08044	12.6
135.11682	2.2
137.09619	9.3
141.07085	2.2
142.07745	2.8
143.08556	26.8
145.06522	1.7
145.10117	18.3
147.07999	5.9
147.11716	2.1
149.09631	15.6
151.07529	6.2
153.06915	3.5
155.08560	18.4
157.10127	15.3
159.08031	10.3
159.11667	6.4
161.09567	13.7
163.11165	6.3
165.06944	7.8
166.07794	5.8
167.08519	10.7
168.09323	3.7
169.10144	23.4
171.08058	2.5
171.11633	14.1
173.09631	9.5
173.13243	3.2
175.11176	2.5
177.09155	1.8
179.08549	13.5
179.10603	1.5
180.09338	6.6
181.10103	75.5
183.11664	26.4
185.09618	6.1
185.13226	5.6
187.11182	11.5
189.12775	1.7
191.10751	3.7
192.09384	2.5
193.10089	12.6
194.10910	3.6
195.08044	2.8
195.11684	34.4
196.12393	2.5
197.09589	6.9
197.13292	11.4
199.11169	14.1
199.14861	3.3
201.12750	9.2
204.09331	2.1
206.10907	7.5
207.11617	20.6
208.12483	6.4
209.09686	12.4
209.11458	3.6
209.13246	36.0
209.15106	2.8
210.10402	1.8
211.11188	10.4
211.14842	7.6
213.12704	6.8
215.14218	1.8
217.10196	1.7
219.11707	9.5
220.12494	2.5
221.13264	15.7
222.10382	10.3
222.14064	8.2
223.11156	11.8
223.14665	12.3
225.12804	6.2
227.14351	6.4
231.11679	8.8
235.14793	3.6
236.11954	6.6
236.15608	9.7
237.12785	31.0
237.16304	14.1
239.14363	2.8
241.12282	2.2
243.13812	3.2
246.13997	9.1
249.12563	5.7
251.17947	26.8
255.13895	3.1
255.17365	2.0
261.16391	15.5
264.15176	8.6
267.17398	2.2
269.19025	8.1
270.67224	1.5
279.17392	100.0
297.15021	2.6
297.18451	52.3
311.20096	2.3
315.19614	7.5
339.19418	22.4
357.20590	19.4
399.21558	12.5
417.22751	21.3
459.23636	8.9
477.25006	2.4
519.26660	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	519.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72852	4.6
69.03423	5.8
73.02930	6.4
73.68853	4.6
79.05493	5.0
81.07061	11.1
83.05003	4.7
91.05501	25.4
93.07059	34.4
93.79962	5.1
95.04977	11.0
95.08596	26.6
105.07029	41.9
105.23495	4.8
107.08577	21.8
109.06498	5.2
109.10117	7.0
117.06997	6.1
119.08560	63.3
121.06524	8.8
121.10139	10.4
123.08084	7.7
129.06947	7.5
131.08603	37.0
133.06487	11.1
133.10104	32.2
135.08044	8.2
137.09647	8.8
143.08562	41.9
143.60127	5.5
145.06401	5.9
145.10092	21.1
147.08047	20.6
149.09604	43.3
153.07059	5.7
155.08569	23.2
156.09331	5.0
157.10110	24.6
159.08054	22.6
159.11703	5.5
161.09596	26.6
163.11047	5.5
165.06941	7.1
167.08563	11.1
169.10045	38.8
171.11656	9.0
173.09605	11.3
175.11142	7.0
179.08542	30.3
180.09293	7.7
181.10077	24.3
183.01480	5.2
183.11688	26.1
185.09692	8.2
185.13177	6.4
187.11188	10.6
190.54912	5.1
191.08537	11.2
192.09308	8.7
193.10114	27.8
194.10934	10.5
195.11647	46.1
196.12431	7.6
197.09624	9.9
197.13228	8.9
199.11217	6.0
206.10924	62.8
207.11636	10.7
209.13187	38.0
211.14812	31.5
213.12659	6.9
219.11684	11.4
220.12440	12.3
221.13206	87.6
222.13972	9.5
223.11128	11.4
223.14821	10.7
231.11678	23.3
235.14769	11.9
236.15683	17.3
237.00974	4.9
237.12759	20.4
237.16299	6.8
239.14261	51.8
246.14046	23.4
249.12534	7.5
249.16469	9.2
250.13589	6.4
251.17921	32.3
253.15797	6.7
261.16348	35.6
264.15057	21.0
269.18887	9.1
279.17456	100.0
281.15494	8.2
297.18561	62.0
339.19543	28.0
357.20541	29.3
386.88455	5.4
398.20428	5.3
399.21530	7.0
417.22449	8.5
510.62674	5.4
519.22272	7.5
535.69598	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	519.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65130	5.9
55.74618	6.9
56.03569	5.2
64.23155	6.0
67.05485	10.3
69.03426	9.1
73.02909	10.3
79.05497	11.5
81.07099	13.1
90.70229	8.7
91.05486	28.8
92.76488	7.8
93.07042	35.1
94.88671	6.6
95.04968	28.3
95.08603	37.6
97.06519	7.6
105.07042	55.2
107.08591	52.4
109.06502	17.6
109.10160	14.9
117.07025	9.5
119.08568	66.4
121.06474	14.5
121.10148	31.3
121.66592	6.8
123.07991	12.9
129.07027	12.1
131.08568	45.4
133.06425	9.1
133.10121	60.0
135.08069	83.0
135.11745	9.4
137.09560	11.8
141.07001	9.1
143.08557	53.0
145.10135	52.5
147.08063	11.4
147.11682	7.5
149.09651	12.0
155.08594	26.3
157.10138	47.0
159.08049	41.2
159.11737	15.5
161.09587	17.3
169.10094	34.7
171.07973	9.5
171.11661	31.4
173.09619	16.2
179.08524	11.5
180.09399	7.7
181.10130	38.3
183.11725	50.6
185.09616	12.2
185.13191	12.7
187.11235	18.0
192.09358	8.6
193.10237	14.6
194.10992	9.1
195.11703	64.0
196.12497	9.0
197.13290	28.2
199.11237	13.6
199.14891	8.4
206.10898	32.2
207.11694	33.6
209.09596	12.0
209.13243	50.7
211.14824	9.1
213.12721	8.4
219.11714	29.0
220.12531	17.8
221.13254	41.1
223.11197	12.7
223.14796	9.2
231.11684	31.9
232.12445	7.9
233.13213	9.2
236.15617	8.4
237.12790	27.6
237.16415	17.9
239.14188	10.5
246.14078	17.0
251.17969	34.7
253.15909	14.1
261.16391	69.2
269.18869	13.0
271.16818	11.4
279.17352	100.0
281.19098	27.7
297.18448	56.5
339.19534	41.0
357.20786	26.3
359.22079	7.2
399.21866	9.7
415.97488	7.9
483.15747	8.0
519.22217	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	519.259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.4
73.59953	3.7
74.60647	2.9
79.05477	15.8
81.07065	18.2
91.05460	14.3
92.17946	6.1
93.07017	14.6
95.04951	6.7
95.08591	14.2
97.06506	4.6
105.07047	32.9
107.04958	32.6
107.08604	38.1
108.05298	7.1
109.06524	12.5
109.10130	15.5
117.07018	6.2
119.08580	26.1
121.06448	4.2
121.10120	29.1
123.08054	5.9
123.11716	29.0
128.06184	4.1
131.08560	5.8
133.06503	13.0
133.10121	21.0
134.09633	4.4
135.08046	100.0
135.11674	26.8
143.08574	20.5
145.10101	20.8
147.08058	5.1
149.05971	4.3
155.08536	13.0
156.09338	4.0
157.10130	7.5
159.08087	4.1
159.11693	3.8
161.09590	12.7
163.11159	43.3
165.09177	7.4
169.10165	15.1
171.11655	7.8
173.09521	3.9
173.13226	4.7
179.08533	4.3
181.10094	16.3
183.11739	8.1
185.13281	3.5
193.10104	7.1
194.11708	17.1
195.11732	24.1
197.13280	4.6
199.11130	5.4
206.10887	4.4
207.11638	6.6
209.13242	18.3
212.87573	3.2
220.12572	4.7
221.13264	7.7
231.11620	13.2
235.14938	7.6
237.12766	6.9
246.14066	17.3
251.17836	13.3
261.16336	20.2
279.17447	39.8
281.19037	7.4
297.18427	17.7
299.20081	7.4
339.19485	14.7
357.20438	5.8
519.32819	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	519.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04925	4.8
54.28457	4.9
55.05508	9.8
62.01237	5.6
67.05499	15.0
69.03407	7.8
69.07053	15.8
77.57824	6.6
79.05479	26.9
81.03411	30.8
81.07063	26.5
83.06194	6.2
83.08629	8.9
85.06531	6.4
89.48905	6.5
91.05463	36.8
93.07043	57.2
95.04958	41.4
95.08598	35.7
105.07056	52.4
107.08595	72.1
109.06506	6.6
109.10142	25.3
117.06984	12.5
119.08600	59.9
121.06494	33.8
121.10168	58.4
123.08057	10.7
131.08577	52.0
133.06438	12.5
133.10127	64.6
133.15697	6.8
135.08031	100.0
135.11644	11.0
142.07777	12.2
143.08539	45.7
145.10103	40.5
147.08025	13.0
147.11679	26.9
149.09659	8.4
153.06938	8.4
155.08530	15.6
156.09360	9.2
157.10114	51.1
159.08083	13.7
159.11668	31.1
161.09613	76.9
163.11156	13.6
165.07030	8.1
167.08537	9.4
169.10083	42.6
170.10756	8.2
171.08075	10.0
171.11644	30.7
173.09598	8.0
173.13213	27.7
175.11136	8.4
177.09109	6.8
179.08496	12.1
180.09361	14.4
181.10056	49.5
182.81021	7.3
183.08070	6.5
183.11655	27.8
184.07402	8.4
185.09625	13.3
185.13280	10.5
192.09311	8.4
193.10124	34.3
194.10880	16.1
195.11670	76.6
197.09636	12.3
197.13174	51.7
199.14799	14.9
207.11661	49.2
208.12514	8.5
209.13174	53.1
211.11188	10.9
211.14854	16.0
213.12782	10.3
215.14275	7.6
219.11664	15.6
220.12520	10.4
221.13249	30.9
223.11229	9.1
223.14745	25.3
224.40466	7.0
225.12729	12.3
227.14160	7.8
231.11697	25.5
232.12488	7.6
235.14693	25.7
237.12732	34.8
237.16371	11.8
246.14020	33.3
249.16475	10.7
251.17961	34.7
255.17329	8.6
261.16339	32.5
279.17355	66.8
281.18927	48.8
283.20581	15.6
297.18521	35.6
339.19235	9.5
459.23730	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	519.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30219	3.5
66.07967	3.1
67.05496	6.2
75.09859	3.6
79.05498	3.0
81.07032	14.0
81.09394	3.3
91.05480	4.9
93.07050	7.0
95.04956	5.4
95.08605	7.2
105.07033	16.7
107.08588	8.3
109.06499	4.3
109.10147	5.9
114.05949	3.7
119.08605	15.7
121.10115	4.8
121.17859	3.5
131.08577	15.7
133.10136	35.6
143.08594	7.3
145.10121	19.7
147.08064	3.8
155.08504	14.9
157.10117	15.1
159.08003	6.4
159.11671	6.4
165.07059	4.4
167.08559	12.0
171.11707	17.7
173.09673	3.6
179.08604	7.2
181.10097	16.7
183.08066	6.6
183.11681	14.2
185.13309	4.1
192.09433	6.3
193.10132	22.5
194.10948	5.0
195.11682	32.8
197.13240	7.8
199.11266	6.7
205.10262	6.6
206.10896	7.2
207.11626	36.6
208.12482	4.6
209.09933	4.7
209.13237	30.0
211.14828	7.4
219.11728	30.5
220.12506	27.9
221.13277	24.4
222.14026	5.2
223.11208	7.0
223.14723	6.5
231.11682	60.5
234.14026	13.2
235.14792	28.5
236.12016	5.9
237.12833	6.1
237.16393	7.3
246.14029	87.7
249.16396	22.3
251.18010	30.5
261.16385	100.0
264.15024	4.3
279.17450	81.6
297.18610	17.7
321.18585	3.9
339.19626	27.7
357.20331	4.2
361.64764	4.3
399.21701	3.8
478.32324	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	519.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10250	3.1
54.19773	3.2
54.52408	4.3
67.05505	6.2
69.07060	18.6
70.11445	3.8
71.05003	4.6
77.25890	3.7
79.05472	7.6
81.03399	5.7
81.07067	6.2
84.14143	3.6
91.05466	7.4
91.49368	3.8
93.07050	9.1
95.08594	9.6
97.06535	9.3
105.07032	30.6
107.08595	18.4
109.06519	5.0
109.10159	7.7
111.08080	5.3
119.08596	30.6
121.06511	4.1
121.10129	6.1
123.08041	16.3
125.09524	5.8
131.08566	18.3
133.06438	6.3
133.10130	10.1
135.08054	9.9
137.09607	19.3
141.07030	5.4
143.08557	23.4
145.10085	13.8
147.11696	5.4
149.09598	17.4
155.08569	28.8
157.10156	19.7
159.08032	7.3
159.11745	8.0
161.09604	17.7
164.55746	5.2
167.08516	9.0
169.10129	48.1
171.08060	6.8
171.11667	15.4
173.09587	17.5
175.11179	6.7
179.08499	7.4
181.10101	65.2
183.11717	18.6
185.09561	5.5
187.11156	7.2
193.10130	20.3
194.10887	4.3
195.11682	39.9
197.09497	6.8
197.13239	9.3
199.11159	24.1
207.11720	19.4
209.09651	7.6
209.13284	32.3
211.11176	19.8
211.14792	7.4
213.12834	8.1
217.10112	4.6
219.11671	10.4
221.13225	9.2
222.10388	4.2
223.11148	10.1
223.14865	9.5
225.12849	7.9
225.16374	5.2
231.11775	5.1
236.11940	4.6
236.15494	5.2
237.12753	30.5
237.16341	24.8
239.14311	5.9
246.14072	7.7
249.12726	4.4
249.16272	8.8
251.17871	23.9
255.13802	15.5
261.16278	20.8
264.15060	4.9
267.17380	33.8
269.18945	7.6
279.17410	100.0
297.18500	87.7
315.19522	21.6
321.18585	4.4
339.19421	9.5
357.20557	52.1
417.22760	33.3
446.45587	4.2
519.25391	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
67.05489	3.2
67.59518	2.8
69.03471	2.8
69.07064	3.5
79.05492	3.6
81.07052	6.1
83.08611	3.8
89.64955	2.8
91.05486	4.4
93.05109	2.6
93.07034	12.7
95.04971	4.9
95.08600	6.1
97.06490	2.9
105.07021	17.5
107.08583	14.3
109.06554	3.5
109.10130	5.4
117.07029	3.9
119.08549	15.8
121.06460	5.1
121.10123	4.2
123.08079	5.0
131.08572	17.9
133.06488	4.1
133.10112	11.8
135.11749	3.6
137.09630	3.1
141.06996	4.7
143.08568	15.8
145.10092	12.3
147.08116	4.9
149.05923	3.5
149.09552	3.7
155.08539	16.2
157.10139	16.6
159.11685	10.2
161.09691	3.8
163.11157	3.5
167.08548	3.9
169.10123	14.3
171.11662	16.4
173.09505	4.6
173.13234	4.2
179.08507	5.0
181.10059	20.6
183.08124	2.9
183.11693	11.0
185.09641	4.5
185.13229	10.6
193.10100	13.1
194.10858	5.2
195.10078	2.9
195.11589	24.6
197.13345	8.8
199.14876	2.9
201.12723	10.9
206.10913	2.9
207.11708	5.5
209.13309	20.5
211.11313	3.5
211.14842	6.2
213.12723	3.8
221.13293	10.5
223.11258	3.8
225.16249	3.1
227.14238	6.0
235.14761	4.9
237.12503	3.1
239.14140	3.1
239.17888	5.4
246.14145	3.0
248.15979	2.4
249.16518	3.0
251.17932	14.6
261.16446	4.9
267.17499	5.3
269.19003	5.0
279.17502	17.3
297.18427	23.6
339.19446	5.1
357.20383	4.7
417.22720	100.0
465.30075	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	519.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65437	4.3
53.95836	3.4
55.05494	6.7
56.46561	4.4
57.03431	4.5
57.28842	3.7
58.87394	3.6
63.35206	3.6
67.05490	7.1
69.07066	4.9
73.02917	6.7
79.05500	16.5
81.07025	10.4
83.08614	6.4
91.05470	25.3
93.07028	23.7
95.04961	9.5
95.08590	17.8
105.07038	38.5
107.04950	100.0
107.08587	20.9
108.05286	25.5
109.10190	8.3
117.07023	8.2
119.08565	25.5
121.06500	5.9
121.10114	28.9
129.06969	7.1
131.08577	27.2
133.06512	6.4
133.10126	38.5
134.09650	29.1
135.09915	4.9
135.11644	7.8
141.97565	4.5
143.08560	22.6
145.10109	35.7
149.05974	24.7
155.08571	21.9
157.10146	20.6
159.08099	5.8
159.11642	10.1
161.09602	24.0
167.08571	5.8
169.10109	22.6
171.11768	13.8
173.09488	4.7
179.08554	6.9
181.10097	19.6
183.11707	22.4
188.91507	5.2
192.10159	9.6
194.11827	46.7
195.11891	50.3
197.13248	18.1
207.11696	6.0
209.13246	18.7
211.14786	5.2
216.22397	4.2
221.13205	21.8
237.16357	6.2
251.17899	28.9
253.19485	10.6
263.17865	8.3
281.18982	40.4
299.19894	9.7
389.80832	5.3
459.31113	5.1
481.28317	4.2
519.22101	9.8
519.33160	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	5.9
79.05482	7.0
81.03410	26.6
81.07065	14.7
91.05482	9.7
92.18425	4.9
93.07037	37.9
95.04961	17.0
95.08600	7.9
103.65494	3.7
105.07033	29.0
107.08617	46.9
109.06493	7.7
109.10200	5.4
117.06993	4.5
119.04961	7.0
119.08573	22.3
121.06474	16.5
121.10120	18.7
129.92287	4.0
131.08586	5.4
133.06454	6.8
133.10092	35.2
135.08040	100.0
136.08865	6.0
137.09619	5.1
143.08470	4.5
145.10181	16.4
147.11732	4.5
153.58093	3.8
157.10097	5.2
159.11670	8.2
161.09599	68.1
163.11180	23.2
165.58386	3.7
171.11720	6.7
181.10112	6.8
183.11729	5.6
201.12640	7.0
209.13164	5.0
241.15771	8.6
265.19489	6.9
283.20529	31.2
299.20020	21.8
299.23364	3.7
325.21539	5.6
359.22260	16.2
530.95770	4.3
546.42676	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	519.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	10.6
69.03423	11.1
79.05463	7.2
81.03411	45.4
81.07050	29.3
83.08555	4.9
91.05480	9.2
93.07037	56.5
95.04938	20.0
95.08601	20.1
105.07037	26.1
107.08588	46.3
109.06522	7.3
109.10152	7.6
119.08573	26.2
121.10153	21.0
121.49191	4.3
131.08568	10.6
133.10135	42.0
135.08055	100.0
143.08553	9.3
145.06516	6.6
145.10095	27.0
147.11729	4.9
150.30005	5.3
157.10094	8.2
159.11642	9.1
161.09601	98.9
163.11130	6.5
171.11668	7.5
173.13174	5.5
181.10014	8.5
183.11671	5.8
185.09572	5.0
195.11743	8.1
209.13184	7.7
223.14900	5.3
241.15855	6.0
255.20912	5.8
265.19464	10.0
283.20456	51.4
343.22784	8.0
417.22818	10.1
472.46786	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	519.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60331	3.0
54.16561	3.6
54.77526	3.0
55.05493	4.2
67.05495	15.3
69.07052	6.5
79.05480	15.3
81.03414	26.0
81.07027	8.3
83.08606	5.5
83.09222	3.6
90.36334	5.3
91.05450	15.7
93.07047	36.2
95.04974	51.6
95.08606	19.1
105.07036	35.4
107.04961	9.2
107.08597	43.9
109.06493	4.4
109.10160	17.7
117.07008	4.9
119.04888	4.3
119.08567	25.3
121.10122	51.1
131.08534	16.5
133.06503	26.3
133.10132	83.6
135.08041	100.0
135.11671	16.9
137.09624	5.3
143.08543	20.7
145.10159	7.8
147.11658	6.5
155.08653	5.1
157.10139	21.6
159.11688	16.1
161.09607	70.0
163.11131	16.4
163.14854	5.2
164.46843	4.1
169.10098	7.4
171.11708	18.2
173.09727	4.6
173.13248	26.9
181.10118	6.2
183.11734	19.4
185.09593	8.9
187.11249	4.5
195.11827	6.3
197.09599	5.4
197.13301	16.1
198.95987	4.1
199.11241	7.2
199.14838	8.1
207.11650	8.4
211.11232	8.4
211.14851	5.3
221.13193	6.7
225.12752	9.3
233.13164	4.6
239.14334	14.8
248.15535	4.8
253.19513	9.3
281.19000	98.6
299.20087	9.5
341.21237	4.7
401.23145	5.8
484.53195	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	519.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56513	1.4
53.78440	1.4
55.05508	2.8
58.49591	1.4
60.08147	2.3
60.20638	1.4
64.17876	1.5
67.05487	3.6
69.07088	1.9
70.52205	1.5
74.61923	1.5
78.13897	1.8
79.05499	3.1
81.03417	8.4
81.07042	4.1
83.08623	2.6
86.09708	20.8
87.10020	3.1
91.05466	7.7
92.01804	1.6
93.07035	15.5
95.04960	13.7
95.08594	4.1
105.07015	15.5
107.08601	11.6
109.06536	2.0
109.10165	2.7
117.07052	2.5
119.08562	9.8
121.06532	2.6
121.10143	21.7
123.11703	3.5
124.99990	10.9
131.08548	3.4
133.06461	6.9
133.10132	24.7
135.08066	35.2
135.11674	2.5
143.08536	6.4
145.10121	8.7
147.08047	2.6
149.09659	1.8
155.08574	3.2
157.10118	4.1
159.11732	3.7
161.09583	18.8
163.11186	3.7
169.10117	6.7
171.11664	8.5
173.09720	3.6
173.13292	11.2
181.10107	2.1
183.11726	3.7
184.07343	100.0
185.07689	20.1
185.09479	4.9
185.13255	2.1
187.11162	3.7
195.11755	2.2
197.09634	2.7
197.13263	7.8
199.11150	7.0
199.14851	3.3
207.11697	2.5
208.12408	2.6
208.94476	1.5
209.13235	2.2
210.10492	2.2
211.11182	2.7
211.14742	1.8
213.12871	2.0
221.13292	3.8
223.14647	1.8
225.12686	3.1
231.11758	1.8
239.14278	6.3
263.17923	2.6
279.17538	3.4
281.18970	31.8
299.20096	4.0
324.30905	2.0
341.21155	2.3
359.21906	1.8
519.32684	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	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.7
57.07090	2.6
57.43393	2.8
58.53491	2.3
59.05007	2.8
67.05502	9.7
69.07066	6.5
81.07079	22.0
83.08631	15.9
83.98048	2.6
89.83044	3.3
93.07033	14.4
95.04980	3.5
95.08607	49.0
97.10159	4.5
105.07022	5.3
107.08613	11.8
109.10122	4.9
111.08101	10.6
111.11728	3.8
113.09655	17.8
119.08601	5.9
121.10161	33.9
123.08083	4.2
123.11724	45.5
131.08563	6.5
133.10114	5.6
135.08058	4.0
137.05963	3.5
139.11211	19.0
143.08578	11.1
145.10144	13.8
147.08018	4.5
147.11699	5.9
155.08562	4.0
157.10110	4.6
159.08038	3.9
159.11691	5.6
169.10193	5.8
171.08020	5.4
171.11708	5.9
173.09631	13.7
173.13313	12.3
175.14886	3.0
179.14294	4.6
181.10152	4.1
183.11752	5.4
185.13197	4.7
189.09181	4.1
193.10201	3.3
195.11667	3.4
197.13242	28.3
199.11154	3.0
199.13287	3.1
211.11241	5.2
211.14801	5.7
215.14397	4.7
221.13295	4.8
223.11131	4.2
225.12733	14.1
234.13872	3.0
237.12949	3.2
239.14272	3.6
255.17345	3.5
265.15991	10.6
283.16895	27.0
299.16412	18.9
301.17975	100.0
301.21158	5.2
303.19641	5.7
327.19537	4.5
329.21219	4.6
335.20032	5.9
339.19556	15.8
341.20816	6.0
353.21176	47.3
354.21915	24.4
357.20279	3.6
367.22977	3.0
371.22159	5.0
405.27972	3.5
423.28976	73.0
441.30008	69.7
459.31024	14.2
483.31244	32.1
501.32013	37.1
519.33203	94.8
519.40314	5.5
530.40802	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	519.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18482	0.9
55.05510	6.4
55.41740	1.0
57.06822	1.2
57.07085	18.4
67.05514	16.6
69.07056	6.4
71.08636	10.5
79.05503	18.2
81.03416	1.4
81.07060	18.9
83.04994	5.0
83.08614	6.4
84.47267	1.1
85.06528	1.1
85.10165	8.5
91.05475	14.4
93.07037	14.4
95.04967	5.2
95.08606	18.9
97.10181	2.4
105.07039	10.2
107.08601	2.6
109.10153	7.5
117.07001	1.5
119.08586	6.6
129.06982	2.3
145.10109	1.9
147.11732	6.9
171.11667	5.5
189.12657	1.5
192.26817	1.3
207.13823	6.2
239.23602	1.2
314.77237	1.1
519.40442	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	520.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
70.00552	0.5
73.01013	0.5
74.06078	1.4
79.05495	7.7
81.07053	0.5
90.65037	0.6
91.05491	0.9
93.07018	3.3
97.51020	0.5
105.07038	4.4
107.04953	100.0
107.08586	0.7
109.06499	2.0
111.47103	0.6
117.06988	1.1
118.06523	0.8
119.04903	0.7
119.08564	0.7
120.08096	21.4
129.07025	4.3
131.04883	0.7
131.08557	1.0
141.06927	0.8
143.08546	2.3
145.06454	2.9
145.10193	0.6
147.04410	2.7
147.08057	6.3
149.05981	20.5
155.08542	2.9
157.08696	0.6
157.10080	0.8
159.08046	1.1
161.09694	0.7
165.06970	2.6
167.08545	2.3
169.10075	3.0
178.08627	2.9
179.08559	11.9
180.10219	45.8
181.10107	3.0
182.10890	0.8
183.08044	1.2
183.11665	2.8
191.08510	6.5
192.09311	6.2
193.10104	7.6
195.11649	2.4
197.01968	0.5
197.09576	2.5
197.13217	3.1
205.10136	1.0
206.10896	26.5
210.10402	2.1
211.11203	0.8
211.14752	2.6
219.76288	0.7
221.13239	38.9
222.11284	1.2
223.14783	1.0
224.11928	2.2
237.12721	0.9
239.14291	21.2
239.16559	1.2
247.90898	0.5
252.12016	1.0
254.18156	0.5
257.15347	0.6
281.15286	4.3
299.16367	14.9
320.06982	0.6
341.17352	5.1
460.24652	5.0
478.25815	8.9
520.26843	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13164	0.7
56.81748	0.7
60.51369	0.8
62.73581	0.9
69.03429	1.1
81.03437	1.5
84.04508	5.2
96.04501	7.1
97.02870	1.0
98.06038	7.1
109.02880	3.7
126.05507	23.1
127.03925	1.3
138.05510	100.0
144.06561	22.0
159.05992	1.0
168.06590	14.7
186.07623	12.2
189.39171	0.9
204.08676	37.1
211.10966	0.9
275.17502	0.8
276.09906	0.8
280.17786	1.3
512.18445	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	520.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16491	6.1
70.81386	6.8
77.32704	7.9
86.09718	12.4
91.05525	8.8
95.04939	7.4
95.08623	8.3
104.10748	17.0
105.07070	17.6
107.08675	9.3
109.10194	10.8
119.08521	52.2
120.24265	7.5
121.10063	9.5
131.08603	44.9
133.10162	15.7
142.24931	7.0
143.08592	36.6
145.10168	31.2
155.08685	14.9
157.10165	16.9
159.11639	10.0
169.10136	39.5
171.11705	13.6
173.13364	7.8
183.11713	37.9
184.07346	60.4
185.13266	12.8
187.14876	12.6
207.11726	10.3
221.13208	16.0
225.12697	9.1
254.06215	7.5
263.17978	36.6
281.18951	100.0
299.20148	14.5
341.21179	40.5
401.23416	11.9
443.24216	10.0
461.16754	8.4
520.33917	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
55.52044	2.7
65.44870	3.0
67.05489	11.4
69.07063	2.8
69.20831	3.2
79.05479	5.6
81.07045	20.0
83.04968	17.5
91.05474	16.6
93.07042	26.2
95.04968	5.0
95.08592	37.7
101.06011	12.4
105.07009	23.3
107.04986	3.2
107.08617	23.6
109.10149	14.6
112.29695	2.7
114.47587	3.4
117.06989	12.0
118.06335	3.1
119.08585	67.6
119.09400	3.9
121.10117	16.4
129.07050	4.2
131.08534	13.5
133.10132	100.0
135.08023	5.9
143.08554	18.8
145.10130	86.7
147.11696	14.5
155.08618	5.2
157.10110	23.4
159.11678	17.9
163.11205	20.7
165.06932	4.1
167.08559	17.0
169.10124	21.6
171.11719	22.3
173.13225	7.3
179.08513	3.8
181.10155	22.2
183.11688	17.3
185.13260	11.1
193.10129	4.5
194.10887	6.7
195.11714	32.0
197.13239	14.8
207.11668	5.1
208.12326	5.4
209.13242	57.3
210.13904	3.7
223.14783	32.4
224.25760	3.1
235.14757	4.5
237.16353	4.8
265.19498	90.3
283.20560	43.1
318.73010	3.2
325.21631	4.6
385.23660	17.3
399.96790	3.2
443.27777	5.8
456.71021	3.2
544.53070	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	520.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.5
58.63890	5.1
67.05509	10.0
77.17078	4.0
79.05480	8.9
81.07054	10.5
83.04974	28.9
91.05475	18.5
93.07037	35.0
95.04985	8.1
95.08605	51.9
101.06008	10.5
105.07021	28.4
107.08601	9.5
109.10126	11.1
119.08573	86.0
121.10127	20.8
131.08537	18.8
133.10132	96.2
135.08023	7.5
135.11707	7.1
137.09630	5.2
143.07053	9.4
143.08543	17.4
145.06471	6.2
145.10095	65.9
147.08154	5.1
147.11694	24.0
155.08527	9.1
157.10133	34.6
159.11685	25.8
161.08107	5.0
163.11176	31.3
167.08563	22.7
169.10092	24.8
171.11682	23.0
173.13272	7.0
181.10156	30.9
183.11737	23.9
185.13167	8.0
194.10971	7.8
195.11737	48.4
196.12379	4.6
197.13257	18.3
198.18230	4.4
209.13303	55.9
223.14830	33.5
224.15405	4.5
235.14803	4.7
249.26451	4.3
249.84502	5.0
250.17207	6.8
265.19534	83.8
278.73309	4.7
283.20538	100.0
289.50409	4.8
374.02734	5.1
384.02280	4.6
401.26407	5.3
401.35422	5.2
439.27689	5.4
443.27756	18.4
493.69626	5.4
527.83423	4.9
530.78479	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	520.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.4
57.03433	3.3
57.07088	4.8
59.98492	2.6
63.12510	2.9
67.05500	6.1
69.07030	4.5
79.05478	6.0
81.07069	25.5
81.18144	2.7
83.04992	27.9
91.05468	12.9
93.07041	36.1
95.04948	14.4
95.08611	74.0
99.21310	3.3
101.06004	19.9
105.07030	17.9
107.08603	35.5
109.06535	3.6
109.10133	17.2
117.07030	6.0
119.08575	69.5
121.10143	15.4
129.06979	7.3
131.08565	17.6
133.10138	100.0
135.08058	13.1
135.11674	4.0
137.09596	4.2
141.07079	5.3
142.07719	3.1
143.07031	3.5
143.08557	25.1
145.06493	6.1
145.10118	57.3
147.07994	3.9
147.11700	21.6
155.08545	15.9
156.09338	3.4
157.10132	24.3
159.11710	30.8
163.11215	10.9
165.06975	3.4
167.08543	15.8
169.10115	31.8
171.11700	21.2
173.13324	11.1
179.08621	3.6
180.09332	5.3
181.10133	35.9
183.11707	23.8
185.13203	12.0
189.12648	4.0
190.12585	3.2
194.10927	13.9
195.11697	44.1
197.13214	23.0
208.12341	4.5
209.13240	66.4
210.14052	3.7
211.14784	4.2
223.14787	38.0
237.01944	4.0
255.21129	4.3
265.19504	49.0
283.20575	64.2
327.20718	3.9
431.53064	4.0
443.28043	6.3
456.76862	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	520.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84108	1.6
85.61725	1.5
87.04458	10.4
89.06029	100.0
97.02872	1.8
109.45961	1.4
111.42892	1.7
121.06544	1.5
133.08583	29.0
137.05991	11.7
138.06252	2.6
177.11211	8.5
181.13582	1.7
185.25418	1.4
188.53906	1.8
200.24612	1.6
221.13791	2.6
292.44302	1.8
503.30539	51.3
520.18829	14.5
520.26074	3.6
520.33069	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	4.6
61.38039	0.3
69.07074	0.4
71.07358	1.5
72.99969	0.3
73.54839	0.2
75.11488	0.3
76.65711	0.3
84.98672	0.2
86.09708	22.8
89.13338	0.3
95.31768	0.3
98.98450	0.4
104.10738	2.1
107.19476	0.3
125.00000	11.8
184.07336	100.0
225.69179	0.4
336.71826	0.3
360.72754	0.4
502.32660	1.3
520.33972	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.06994	0.6
50.20781	0.6
51.76474	0.5
55.37127	0.8
58.06615	0.7
60.08164	13.7
65.91407	0.6
67.05503	1.7
71.07372	1.6
81.07057	1.4
85.59843	0.6
86.09708	38.3
92.34766	0.7
95.08597	1.5
99.92830	0.7
104.10745	92.2
124.99993	14.5
163.01575	0.9
184.07326	100.0
303.44772	0.8
502.32928	7.2
520.33966	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36808	0.6
63.73873	0.7
69.07072	0.9
69.72671	0.6
79.05486	1.2
92.18509	1.5
96.08122	0.9
105.07105	0.9
107.04942	1.1
113.02070	1.0
114.09145	6.9
119.08551	3.0
121.06488	0.7
122.03622	2.6
126.02856	0.7
131.08466	0.7
135.07970	0.7
135.42113	0.6
136.05215	0.6
137.05966	61.0
151.06471	0.7
151.07494	4.9
153.01694	0.7
159.11917	0.6
161.05978	4.0
161.09607	0.9
163.07520	1.6
175.07533	1.7
185.04115	1.4
195.10146	1.4
201.03807	1.3
203.05234	2.4
204.43614	0.6
207.10242	1.6
229.15474	0.7
237.09067	1.0
243.72319	0.7
247.07527	0.9
249.09061	1.2
261.08954	7.7
263.07196	1.0
265.08615	3.8
265.85953	0.7
277.08594	6.0
283.16611	10.1
289.08569	8.1
291.10275	1.1
295.09442	0.7
296.10562	1.0
297.11194	5.1
306.09048	1.0
307.09662	2.8
309.11209	2.7
321.11206	12.5
322.12039	3.6
334.11975	1.2
335.13083	0.8
339.12320	4.0
340.12823	6.9
367.15414	6.7
379.15488	0.9
463.22873	9.4
491.20822	1.2
503.20663	3.9
511.87201	1.2
520.87250	5.8
521.27246	100.0
521.37213	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	521.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
54.20487	3.3
55.05518	4.8
55.97897	3.2
66.61224	3.1
67.05502	7.5
69.03413	4.5
79.05481	28.8
81.07069	6.6
83.04985	16.7
91.05498	7.5
93.07048	17.9
95.05006	12.8
95.08607	17.5
103.05445	7.0
105.03393	6.9
105.07028	31.8
107.04957	23.3
107.08576	16.5
109.06544	6.7
109.10148	6.6
111.04422	20.3
117.07005	7.2
119.08562	17.0
121.06519	28.3
121.10152	20.7
123.08075	5.4
131.04912	6.1
131.08560	17.1
133.06476	5.6
133.10178	27.7
135.08040	8.9
137.09616	7.9
143.08588	15.1
145.06459	6.4
145.10127	15.3
147.08084	17.5
147.11702	7.6
149.05981	5.4
149.09612	14.5
155.08565	4.1
157.10062	8.8
159.08009	15.1
159.11707	7.7
161.09657	8.6
163.07536	19.5
167.08554	6.2
169.10123	5.1
171.11699	18.9
173.09592	15.4
175.11176	4.8
179.08554	7.7
181.10085	7.4
183.11752	8.9
187.11237	6.8
192.09259	7.2
195.11736	7.4
199.11145	7.9
203.10683	4.2
205.12234	16.8
207.11717	8.1
211.11197	14.8
224.12016	3.9
225.12846	6.7
234.13835	4.3
237.12715	4.7
249.16330	4.4
267.17484	17.3
277.15924	15.2
285.18466	4.9
295.16916	38.4
313.17957	100.0
331.19031	5.6
354.20627	5.0
355.19153	21.2
361.58365	3.7
373.20126	9.0
461.23038	5.9
521.25824	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16514	6.1
67.05492	8.7
69.03429	12.8
79.05489	10.7
80.80328	6.0
80.83168	6.0
81.03410	34.4
81.07059	15.1
84.99032	5.6
88.67097	6.4
91.05460	7.2
93.07030	55.6
95.04966	12.1
95.08604	13.9
105.07020	25.7
107.08595	54.4
109.10139	9.8
115.88953	5.8
119.08539	15.3
121.10160	6.6
133.06462	9.8
133.10124	52.6
135.08060	95.1
139.77831	5.9
143.08614	10.7
145.10139	14.4
147.08160	6.0
147.11696	8.6
159.11688	9.2
161.09604	100.0
173.13330	10.6
176.08115	6.0
199.14827	13.6
210.98096	6.7
247.15184	6.0
265.19373	11.4
283.20551	60.9
324.05511	6.5
343.22592	8.2
521.33368	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	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50547	5.1
55.05523	9.0
60.77982	4.8
62.57462	5.2
63.84624	4.9
65.55157	4.1
67.05506	12.8
69.03426	20.9
69.07056	32.8
69.92751	4.6
76.17789	5.1
79.05473	10.9
81.03412	23.1
81.07061	100.0
83.04975	6.7
83.08625	6.6
85.02884	12.2
85.06530	11.6
87.40596	4.9
91.05498	6.7
93.07043	54.2
95.04948	11.9
95.08604	84.7
95.34168	4.8
97.02884	5.6
97.06511	11.4
97.10176	29.4
99.04403	5.3
105.07027	26.8
107.08609	86.1
109.02872	25.4
109.06493	9.2
109.10172	46.3
111.04421	6.4
111.08058	20.0
111.11717	10.0
119.08572	43.6
121.10139	60.7
123.08035	11.3
123.11720	68.5
125.09641	10.8
127.03883	19.8
133.10149	26.7
135.11681	31.6
137.05972	28.8
139.11174	28.4
139.99825	5.7
145.10178	11.1
147.11668	37.4
149.09734	8.5
149.13255	54.8
159.11655	10.9
161.13254	22.5
161.38385	4.9
173.09673	6.3
173.13251	6.3
177.16420	21.9
187.14824	7.7
189.16486	7.7
190.97227	5.4
195.17400	6.0
223.16930	12.2
287.23553	6.4
305.24667	10.4
323.25809	11.9
367.21149	25.0
385.22287	26.0
413.26874	18.4
431.27795	25.9
449.28873	56.4
467.29849	91.4
485.31158	74.6
503.31973	33.7
521.33612	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	521.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37887	4.3
54.78071	3.7
55.05525	21.0
56.50933	3.6
67.05511	64.9
69.07070	31.2
70.36909	4.3
71.53703	5.2
74.20055	4.7
78.52827	4.8
79.05500	27.0
81.07054	77.2
83.05018	5.1
83.08636	28.1
85.06543	5.6
91.05475	19.8
93.07050	34.0
95.08601	100.0
97.06566	6.0
97.10198	29.1
105.07041	10.1
107.08599	35.1
109.10138	42.1
111.08095	9.2
119.08587	25.3
121.10126	43.3
123.11689	10.6
125.09725	7.1
132.23097	4.6
133.10103	44.5
135.05298	4.9
135.11690	33.3
136.19875	4.8
137.09613	10.2
137.13277	7.1
141.19160	5.1
145.10107	9.7
147.11697	20.9
149.13268	7.3
151.11227	7.3
192.32588	5.3
204.34007	5.3
215.18007	10.2
217.19597	4.9
218.66003	5.2
233.19159	10.6
235.20592	6.0
251.20041	79.7
269.21143	6.4
271.22675	4.4
292.91635	5.1
297.23639	5.7
450.87421	5.5
485.40085	19.4
503.41037	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38768	0.9
56.05040	17.8
64.94530	0.7
66.41015	0.8
70.06563	0.9
73.02916	1.4
84.08134	1.1
85.02870	1.0
96.08102	1.3
102.47913	0.8
113.26370	0.8
119.04909	1.0
123.04437	14.2
124.07560	1.4
131.04887	1.4
133.06435	5.2
137.05927	1.5
147.04398	7.3
149.05843	1.5
151.03882	4.4
153.05511	0.9
154.08548	1.0
161.05968	6.8
163.03882	1.2
165.05444	21.4
166.08640	1.0
167.06978	1.9
174.05460	1.8
175.07539	1.0
177.05455	69.3
177.08971	1.2
177.62251	1.0
180.10184	1.2
189.05519	1.4
190.52007	0.9
191.06976	0.8
193.08621	5.9
202.08611	1.1
203.06958	1.1
207.06573	1.3
208.09639	1.3
215.96475	0.8
217.08617	1.6
220.09671	37.4
232.09660	1.1
234.11182	5.3
252.12122	1.6
253.72156	1.0
317.10300	1.9
321.14438	1.2
329.10126	13.2
334.12799	1.2
352.13657	1.2
370.14932	3.8
372.14233	3.3
504.19843	1.1
522.19641	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	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68686	0.7
56.73615	1.0
58.34973	0.7
58.62165	0.7
59.04720	1.3
59.05009	37.8
60.91278	0.7
64.13574	0.8
69.03423	2.0
74.97322	0.8
81.03415	1.4
85.02903	3.0
91.59805	0.8
93.71017	0.8
97.02875	3.8
99.04449	0.8
101.06018	17.4
109.02901	3.5
115.03916	4.9
127.03893	1.2
129.05478	100.0
137.05963	6.3
147.04460	1.7
147.06517	10.4
160.43311	0.8
179.07111	1.5
184.08827	0.7
186.07227	0.8
273.09708	4.4
289.00232	0.9
291.10709	13.7
451.16107	1.1
522.27350	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	522.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
60.86510	0.4
61.02917	0.9
63.11160	0.5
69.03403	1.9
85.02906	13.1
91.05470	2.0
92.18537	0.6
97.02888	2.7
105.06997	0.7
109.02892	0.9
109.06505	0.9
118.07365	0.6
121.06494	39.9
127.03888	2.6
131.08554	3.1
133.10172	0.8
135.08032	6.0
145.04953	3.5
148.08768	0.6
163.11162	100.0
175.07358	0.7
177.12729	2.2
191.81783	0.5
289.14288	2.1
307.15417	2.8
522.27075	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	522.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91218	0.2
55.01852	0.4
57.03433	0.3
60.14699	0.3
61.02917	1.6
65.47961	0.3
69.03435	3.4
73.02888	0.4
81.03406	1.3
85.02908	24.9
90.16119	0.3
91.05486	0.4
93.52378	0.3
97.02895	6.8
99.04436	1.3
103.03903	0.3
105.07012	2.1
107.08594	0.6
109.02868	2.3
123.08032	0.6
127.03911	6.9
131.04881	0.4
131.08519	0.4
132.28940	0.4
132.30275	0.3
135.08054	44.6
137.05977	6.5
138.06296	2.2
139.07521	1.2
145.04974	6.7
148.08861	0.3
163.06036	2.6
163.11172	100.0
181.12234	10.4
205.12317	0.4
261.09058	0.7
262.09515	0.7
265.08368	0.5
266.08850	0.5
278.08826	0.4
279.97296	0.3
283.37924	0.3
289.08795	0.5
290.08923	0.6
291.51321	0.4
297.11127	0.4
321.11102	0.5
322.11624	1.3
325.11316	1.9
340.13217	0.5
341.13446	0.8
522.26892	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	522.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87106	0.9
56.78701	0.9
57.11965	1.1
69.56524	0.9
79.05460	2.1
81.07065	1.7
85.56187	1.2
91.05478	100.0
93.07014	1.3
103.05468	2.7
105.07024	5.3
106.89688	1.3
107.08575	7.4
109.10209	1.2
115.28747	1.0
115.56030	1.1
117.07011	1.3
119.04930	17.2
119.08565	5.5
121.06516	1.8
121.10143	1.0
131.08560	4.4
133.10138	5.0
134.09653	62.9
145.10159	1.3
157.10110	1.7
161.09628	1.2
163.11192	4.9
171.11662	2.1
187.11150	2.0
207.11806	1.6
210.11249	98.8
303.53625	1.0
452.15649	1.5
515.40881	1.2
522.20374	2.2
522.28467	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80862	1.1
60.37854	1.2
61.61875	0.9
67.05512	1.1
67.79259	1.1
70.98550	1.0
71.18613	0.9
75.81382	1.1
79.05469	2.0
81.07039	1.7
85.02910	1.6
91.05481	100.0
93.07038	2.4
95.08598	1.4
102.28642	1.1
103.05475	5.0
105.07016	2.8
107.04946	1.3
107.08597	6.4
109.10216	1.3
119.04951	16.2
119.08566	5.9
121.06506	6.2
121.10136	1.5
129.83124	1.1
131.08578	2.0
133.10158	5.2
134.09651	55.9
135.08098	2.2
145.10118	1.4
155.08554	1.4
157.10120	1.5
161.09677	1.7
163.11153	14.1
171.11694	2.0
183.11784	1.5
187.11185	1.8
190.17859	1.1
199.11269	1.3
210.11246	96.8
234.13922	1.3
313.18158	1.3
396.07571	1.4
522.28516	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07720	2.3
55.67974	2.0
56.86759	2.2
65.83021	2.0
67.05504	3.9
68.38800	2.0
74.91601	1.9
79.05491	2.9
81.03424	4.7
81.07044	10.9
86.09695	3.6
91.05464	12.9
93.07043	19.6
95.04963	9.9
95.08600	14.7
104.10732	14.1
105.07014	14.7
105.11077	2.4
107.08624	21.1
107.72634	2.2
109.10148	11.4
114.26260	2.3
117.07008	14.0
119.08572	51.4
121.10142	9.7
129.06970	2.6
131.08594	8.5
133.10124	97.2
135.08061	13.6
135.11653	5.1
137.09608	2.9
139.04179	2.1
143.08540	10.1
145.10126	71.0
147.11658	14.1
155.08568	5.4
157.10149	12.8
159.11714	19.6
161.09584	11.5
163.11169	19.4
167.08586	3.4
169.10098	10.5
171.11687	19.0
173.13239	5.7
181.10164	4.9
183.11693	14.6
184.07341	11.6
185.07663	3.6
185.13286	4.3
186.07896	2.6
189.12720	2.6
193.09984	2.4
194.10875	3.7
195.11647	20.2
197.13295	11.9
208.12396	3.0
209.13246	30.4
222.13921	3.0
223.14827	25.4
235.14893	3.3
237.16290	2.9
265.19467	100.0
283.20465	12.1
306.70160	2.7
325.21609	12.9
343.22626	2.6
385.23624	41.8
519.62665	2.8
522.34424	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	522.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	4.6
64.62294	0.9
67.05505	1.7
69.03430	1.5
69.07071	1.2
74.14962	1.0
76.13249	1.1
79.05503	1.3
81.03423	1.5
81.07047	6.0
86.09709	23.2
87.70422	1.0
91.05478	4.0
93.07018	8.4
95.04984	4.3
95.08593	6.7
101.21986	1.1
104.10754	1.8
105.07024	7.8
107.08575	7.8
109.10155	2.5
117.07007	4.5
119.08581	13.3
121.10112	2.1
125.00027	12.5
131.08594	4.2
133.10132	37.9
133.27864	1.2
135.08052	4.8
135.11705	1.9
143.08546	4.1
145.09073	2.0
145.10123	32.1
145.11192	1.9
147.11707	4.2
155.08545	1.2
157.10104	8.3
159.11723	6.5
161.09642	6.8
163.11206	4.6
169.10117	4.2
171.11693	6.8
181.10117	3.9
183.11693	6.3
184.07335	100.0
185.13213	1.3
195.11705	5.0
208.12585	1.5
209.13229	9.4
212.46811	1.1
222.13879	1.1
223.14774	9.4
237.16150	1.3
250.17186	1.4
265.19504	37.9
283.20572	4.8
325.21671	2.5
385.23679	11.7
403.74271	1.1
441.47128	1.3
522.35468	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	522.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84986	0.9
79.05495	4.2
92.89748	0.9
95.08595	3.8
99.79887	0.9
105.07032	1.8
107.04953	100.0
108.05228	1.0
119.08582	1.1
120.08078	7.8
136.52484	1.1
143.08502	1.2
148.05554	1.0
149.05995	20.0
163.66974	1.1
169.10133	1.7
180.10184	84.3
185.24280	1.0
257.29968	1.0
257.74341	1.1
283.20782	1.0
462.29883	8.2
522.32288	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	522.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53256	1.1
59.12848	1.1
65.96168	1.2
79.05491	5.9
95.08585	1.7
96.66451	1.3
100.89597	1.8
107.04964	100.0
119.08631	1.6
120.08125	8.3
149.05972	23.9
152.63168	1.5
180.10208	87.0
187.78421	1.5
202.06749	1.3
241.69632	1.5
462.29846	10.1
522.32208	10.8
522.38739	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	522.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58726	1.8
67.05499	5.0
69.03441	2.2
71.92661	2.0
74.03057	2.0
75.25761	2.2
79.05484	3.0
81.03405	3.5
81.07050	5.3
84.28590	1.9
91.05466	4.9
93.07046	30.6
95.04944	14.8
95.08593	18.9
101.46056	1.9
105.07012	13.4
107.04967	2.6
107.08608	25.4
109.06474	3.5
109.10143	27.2
117.07009	11.1
119.08566	36.3
121.10130	13.7
123.11777	2.2
131.08548	9.1
133.10117	100.0
135.08035	25.5
135.11768	3.7
137.09596	3.8
143.08565	8.3
145.10121	51.4
147.11653	8.7
157.10146	10.8
159.11664	18.5
161.09624	23.7
163.11174	21.5
168.17680	2.3
169.10152	8.9
171.11646	12.2
173.13274	9.3
181.10092	9.1
181.17676	2.1
183.11804	7.1
185.13274	4.2
195.11656	8.6
197.13229	9.0
208.12521	3.0
209.13303	18.0
215.14476	2.4
223.14804	10.2
250.17267	2.8
265.19455	52.8
283.20560	22.5
309.53659	2.1
325.21445	3.3
343.22635	18.3
385.23782	17.3
417.26572	7.8
522.34589	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12468	0.2
60.08165	5.2
69.07054	0.4
71.07358	1.1
86.09705	25.2
98.98462	0.3
104.10754	2.5
123.71571	0.3
124.99991	11.4
179.40387	0.2
184.07326	100.0
192.56630	0.2
251.68507	0.2
504.34494	1.5
522.35437	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	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.56599	0.5
58.06588	0.5
59.28743	0.4
60.08169	11.8
67.05505	0.5
68.28299	0.4
69.07040	0.8
71.07362	1.9
86.09703	35.2
95.08600	0.5
104.10742	80.0
104.70059	0.4
109.10141	0.7
121.10072	0.9
124.99989	15.4
130.73105	0.5
135.11679	0.5
163.01570	1.0
184.07327	100.0
187.39516	0.6
339.28891	1.1
504.34528	4.6
522.35522	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03439	2.4
69.03417	13.2
70.58048	2.0
81.03416	13.4
85.02909	17.5
85.11772	2.1
91.05475	2.8
92.18364	2.4
95.00716	2.0
97.02890	3.8
99.04450	2.4
102.72750	2.0
103.05473	3.5
105.07014	2.6
107.04980	3.1
109.02876	4.0
115.72107	2.3
119.04916	5.1
127.03896	8.5
131.04921	15.1
133.06506	4.6
137.05980	100.0
137.07045	3.3
145.06479	2.7
147.04401	32.5
147.08029	3.2
149.05989	8.4
151.07542	43.0
157.06543	3.6
159.08046	2.9
161.05978	13.6
163.07530	31.7
165.05386	2.6
165.09073	4.7
167.07034	3.3
169.06435	2.8
175.07532	18.9
177.05467	12.3
177.09059	8.2
179.06964	32.7
185.09657	2.1
189.09087	18.4
191.07028	11.4
193.08549	4.1
195.10173	3.0
201.05460	2.5
201.09151	4.6
203.07001	4.9
207.10175	9.6
209.01588	2.3
210.82507	2.6
213.09225	2.7
215.07051	5.2
219.10193	3.5
225.11093	3.8
229.08562	8.0
231.10118	2.3
241.08649	2.4
263.09100	3.0
273.11273	9.7
275.09155	2.4
275.12546	2.6
291.12326	18.5
343.15424	11.1
351.21643	2.2
353.54257	2.2
469.18997	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	523.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08408	0.3
71.24750	0.3
77.18252	0.3
81.07050	0.5
81.47279	0.3
91.05471	0.4
95.08630	0.4
107.08568	0.5
119.08524	0.4
137.05928	0.4
203.05228	6.8
203.07031	0.4
212.15121	0.4
284.38614	0.4
301.18066	1.6
343.22443	5.4
361.23547	1.3
469.29611	0.4
480.61105	0.4
482.28003	0.6
487.30841	0.7
523.28748	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	523.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
60.51491	1.5
67.05501	3.5
69.07047	3.1
70.19115	1.7
72.10272	1.6
72.89348	1.8
79.05473	3.1
80.50904	1.9
81.07034	8.1
83.04983	38.8
91.05433	3.3
93.07040	8.6
95.01250	1.9
95.04984	3.0
95.08595	11.1
97.06539	13.3
105.07032	8.5
107.08570	11.5
108.34637	2.1
109.06519	34.8
109.10155	3.5
111.08057	3.6
113.05988	2.0
117.06981	2.4
119.08569	17.1
121.06502	9.0
121.10101	14.5
123.04376	4.0
123.08031	2.4
131.08557	7.9
133.06451	2.5
133.10104	29.7
135.08051	56.7
135.11700	8.6
137.05965	20.5
137.09636	4.2
139.07520	3.0
139.16687	1.8
143.08574	8.2
145.06499	56.0
145.10112	11.3
147.08083	15.0
147.11678	7.3
149.09583	2.4
155.08572	3.6
157.10139	10.7
159.08028	2.5
159.11658	14.1
161.09642	2.1
163.07529	100.0
165.09087	9.5
169.10156	4.4
171.11684	10.5
173.13214	10.8
175.14833	2.3
181.08574	2.2
181.10103	3.7
183.10147	7.4
183.11691	11.7
185.09593	2.3
185.13268	3.7
187.11137	2.1
187.14769	2.4
189.09093	1.8
192.09370	2.2
195.11696	3.1
197.13271	7.4
199.11169	8.8
199.14838	10.8
201.12758	8.2
205.08664	14.5
207.11639	12.7
209.13235	3.5
211.14792	2.3
213.16290	3.2
215.17979	2.7
223.09662	8.7
223.14870	3.7
224.15538	2.2
225.12769	8.4
227.14336	7.4
229.12271	2.6
239.17915	13.2
241.15765	2.6
249.16454	4.5
257.18976	3.4
267.17407	40.3
285.18427	42.8
303.19473	8.7
317.50735	1.9
323.14810	15.0
327.19489	38.2
345.20618	16.8
365.15915	3.3
376.20187	2.0
451.92047	1.8
523.28656	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	523.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99813	1.4
52.50087	1.3
55.01877	1.4
67.72557	1.4
69.07054	3.5
71.01328	2.0
79.05484	2.1
81.07079	11.5
83.04947	2.1
91.05453	6.9
93.07030	10.5
95.04949	3.9
95.08592	11.4
97.02867	2.1
97.06533	7.9
105.07021	7.0
107.04952	3.3
107.08570	6.4
109.06519	100.0
109.10152	2.6
111.08076	15.6
119.08584	20.2
121.06481	9.4
121.10108	6.3
123.04453	3.0
123.08060	3.9
125.09621	3.5
127.07603	2.2
129.07005	1.6
131.08563	4.0
133.10120	50.6
133.11041	3.2
135.08119	12.5
137.05981	61.3
137.09602	8.8
139.07558	16.7
143.08636	2.9
145.06474	9.7
145.10139	15.6
147.08012	18.1
147.11678	9.8
156.09352	1.8
157.10136	7.5
159.11690	11.4
163.07558	18.4
165.09093	37.7
169.10072	2.6
171.11696	8.3
173.09660	1.7
173.13268	19.9
175.11110	2.1
183.10159	28.2
183.11707	8.8
185.09607	2.1
185.13239	3.4
187.14778	3.2
187.24644	1.9
189.12659	2.4
193.10020	2.1
197.08087	3.2
197.13264	3.9
199.14835	8.8
201.12743	41.5
203.10872	2.3
205.64156	1.5
207.11714	3.4
209.13229	2.9
211.11292	1.7
211.14957	2.2
213.16380	3.7
215.17961	2.6
223.14813	2.1
225.10992	3.1
225.12978	2.3
225.16502	2.4
229.12299	6.4
234.14172	2.7
239.17892	13.6
249.16338	8.1
257.19086	13.6
267.17380	30.0
285.18460	33.8
289.14334	11.4
309.18552	1.7
323.14908	2.4
327.19489	8.4
345.20578	19.1
523.28638	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	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
56.33130	1.5
57.03435	2.1
59.04999	19.2
61.81762	1.6
67.05486	3.3
69.03432	2.6
69.07056	4.3
71.04992	4.5
79.05482	2.7
89.57792	1.9
91.05478	2.0
93.07026	4.1
93.98773	1.8
95.04942	11.3
95.08580	8.0
97.02895	10.3
97.06525	11.5
99.08045	1.9
105.06996	2.6
107.08569	11.3
109.06516	94.4
109.10040	1.9
111.08064	3.9
115.03938	7.9
115.67200	1.7
119.08557	3.2
121.06503	3.6
121.10111	4.1
123.08036	19.0
125.09654	7.9
131.08575	8.1
133.10138	4.1
135.08043	8.3
135.11682	2.4
137.05936	4.0
140.46732	1.7
141.09100	4.1
143.08546	2.9
145.10149	9.8
147.08029	3.4
149.09605	85.5
151.11189	14.8
157.10143	3.4
159.11710	4.2
161.09642	4.3
161.13231	2.9
163.11177	11.4
165.12762	2.2
169.10162	2.9
171.11667	2.2
173.09599	10.4
173.13333	6.4
175.11229	2.2
183.11617	2.1
185.11717	15.3
187.11232	8.6
189.12755	10.2
191.10619	4.5
195.11618	2.5
201.12729	2.4
203.10602	2.5
205.12292	3.2
207.13802	8.1
209.13326	2.3
211.11217	2.2
217.88992	1.9
219.13794	3.2
225.14726	2.3
227.14392	2.2
229.77415	2.0
231.13730	3.3
241.15746	2.5
265.15848	3.1
267.17572	2.2
283.16910	8.3
284.05682	2.6
301.18063	3.9
329.21094	7.8
336.05930	3.3
393.24118	2.1
411.25479	4.5
429.26404	20.0
433.27451	3.3
443.28058	8.4
451.28452	15.5
469.22888	3.7
469.29486	100.0
487.30426	40.1
505.31738	21.6
523.14288	9.0
523.28943	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	523.3266
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
55.05523	6.9
55.39404	2.9
56.91672	2.7
57.38892	2.9
62.27811	2.9
67.05470	4.2
69.07069	35.8
81.07076	29.9
83.08601	4.3
85.06535	3.7
87.14421	3.8
91.05482	6.9
92.17824	7.3
93.07029	18.9
95.04955	5.1
95.08604	18.6
97.06522	15.3
97.10161	8.2
102.66486	4.1
105.07042	19.2
107.08583	51.4
109.06546	5.0
109.10158	17.0
111.08060	4.0
119.08511	11.4
121.06533	6.0
121.10129	7.2
123.08000	6.6
125.09615	19.2
131.08575	7.9
133.10103	7.3
135.11694	21.7
137.05974	7.1
143.08586	5.9
145.10100	13.7
147.08026	4.3
147.11639	8.7
149.13280	5.6
157.10117	7.4
159.11682	19.5
161.09612	6.4
165.12729	39.0
171.08047	6.6
173.09605	25.2
173.13312	5.5
175.11230	7.5
177.12805	5.1
185.09676	3.5
185.13403	4.7
187.11191	17.8
189.09103	6.1
191.10695	13.3
197.13184	4.0
215.14375	8.3
225.12694	5.3
231.10423	3.8
231.13779	5.0
239.14110	5.1
241.15804	5.7
265.15967	8.2
283.16940	7.2
303.19629	15.9
329.20999	4.1
340.30392	3.9
353.21136	7.4
371.22244	8.0
391.26431	8.4
409.27075	39.0
427.28354	52.0
445.29449	69.4
487.30731	30.3
487.36874	3.5
505.31653	100.0
523.28357	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.05528	8.4
57.03439	17.8
61.02937	49.4
61.39382	3.5
67.05507	68.6
69.03424	26.1
69.07066	15.4
73.02924	35.0
78.20460	3.8
79.05489	50.7
80.74539	3.6
81.03403	16.8
81.07063	62.6
85.02901	48.5
91.03957	23.6
91.05470	31.0
93.07051	49.6
95.08607	50.6
97.02904	42.8
97.06536	9.0
99.04424	6.2
100.12108	3.5
101.02393	9.1
103.03923	4.3
105.07035	23.8
107.08604	37.5
109.02889	5.5
109.10179	29.8
117.07011	7.2
119.08589	22.9
121.10136	24.0
123.11715	7.6
127.03855	5.5
129.05513	6.4
131.08554	21.1
133.10123	21.3
135.11678	20.9
145.10118	8.6
147.11693	15.6
159.11681	8.3
161.13234	4.8
173.13139	4.0
182.68198	3.7
185.13290	3.9
185.34914	4.3
221.18459	4.6
290.37515	4.9
361.27237	42.1
523.32672	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	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60203	4.6
55.77206	4.6
66.19411	5.5
66.70469	5.6
67.05511	9.5
69.07067	26.4
81.07068	62.5
83.08610	13.4
93.07044	11.7
95.08598	100.0
97.10165	14.3
105.06978	7.0
109.10143	58.6
111.11710	7.4
119.08563	10.4
121.10126	25.0
123.11687	31.6
133.10103	7.4
135.11685	6.9
137.05978	9.5
145.10075	6.0
151.14838	29.3
177.29936	6.7
179.14345	8.6
189.16344	6.2
223.17542	5.9
235.16565	6.2
289.25070	8.3
307.26297	51.8
309.29932	5.7
311.04361	7.2
325.27228	10.6
343.28455	22.6
523.28650	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	523.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03892	3.6
55.05517	17.5
67.05508	38.6
69.07053	21.1
71.04998	5.2
73.86349	4.6
79.05493	18.7
81.07056	100.0
83.04984	4.7
83.08607	4.8
85.02888	8.1
85.06561	11.2
87.46925	4.4
91.05487	8.5
93.07030	54.3
95.08606	97.7
97.02881	5.9
97.06525	4.9
99.08073	8.6
105.07007	25.9
107.08585	38.6
109.06503	18.8
109.10162	63.1
111.08047	6.1
119.08580	26.6
121.10140	41.4
123.11698	18.1
131.08534	9.9
133.10133	22.7
135.11652	35.2
137.05974	24.5
137.09621	8.6
137.13193	6.4
145.10103	18.9
147.11688	11.1
149.09651	16.4
149.13240	26.9
151.03932	6.1
159.11679	5.5
161.13272	7.3
163.14816	8.6
173.13281	6.5
175.14870	10.1
182.38484	4.9
190.13087	4.8
277.25333	5.5
283.41998	5.2
289.25211	18.1
307.26245	19.1
313.27286	8.4
325.27319	81.8
361.29544	8.4
414.36612	5.2
469.29446	22.7
481.71277	4.7
523.21796	7.9
523.28857	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
62.71470	0.8
63.04441	0.6
67.05504	9.9
69.07076	5.4
71.05015	1.0
79.05482	7.0
81.06586	1.0
81.07056	23.2
83.04974	1.3
83.08593	1.8
84.11795	0.7
85.02889	1.1
85.06537	4.7
91.05470	4.9
93.07035	8.5
94.04183	1.1
95.08602	23.9
97.10155	1.3
100.11051	0.7
104.56163	0.7
105.07027	6.3
107.08589	11.6
109.06513	1.5
109.10138	14.6
111.08080	1.6
117.07005	0.9
119.08569	9.6
120.08907	1.4
121.06500	1.0
121.10129	9.4
122.03617	1.7
123.08060	1.4
123.11684	4.7
129.07022	0.9
130.76245	0.8
131.04935	4.5
131.08554	3.4
133.06465	3.0
133.10098	3.7
135.04382	1.2
135.08044	1.8
135.11693	7.3
137.05969	100.0
137.13164	0.9
145.10057	1.7
147.11710	3.6
149.05920	1.0
149.13248	4.5
151.07494	9.4
151.11159	1.0
157.06479	0.7
159.08084	0.9
159.11667	3.4
161.05925	6.2
161.09698	0.9
161.13278	1.7
163.07532	7.5
163.14806	3.3
167.08505	0.9
174.06837	0.9
175.07536	10.3
175.14799	1.7
177.09077	3.5
177.16423	1.0
187.07640	1.0
189.09116	3.8
189.16457	1.2
195.08150	1.1
201.09100	1.3
221.05875	0.8
227.10593	1.5
237.09000	0.8
239.10590	1.5
253.08736	1.0
277.25278	1.3
281.18854	1.0
285.11237	0.9
287.12802	1.6
289.25415	3.7
293.11755	1.0
295.26202	1.5
297.11188	3.5
299.12729	0.9
307.26154	1.8
313.27579	5.6
325.27362	21.9
349.14493	1.3
351.15820	1.5
361.29379	3.1
369.16986	0.9
381.16907	4.9
475.21194	3.7
487.21271	3.4
493.21994	1.4
505.21906	3.2
523.21362	3.4
523.28986	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	524.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59605	0.3
57.03440	0.5
57.37092	0.3
59.02771	0.3
64.63947	0.3
66.63921	0.3
69.03417	0.6
73.02901	1.8
81.03415	2.1
85.02906	0.7
91.05453	1.6
92.17865	0.6
94.04164	0.4
97.02873	1.4
101.67421	0.3
105.07011	0.4
107.04954	1.9
107.46719	0.3
122.03618	0.4
129.07007	1.2
131.04915	1.6
134.09625	0.4
137.05972	100.0
146.24336	0.4
149.05977	0.4
151.07594	0.5
157.06464	0.5
163.07539	1.9
174.06790	0.5
175.07545	1.8
177.09172	0.4
187.07507	0.5
189.09114	2.1
194.11884	0.5
209.13213	0.5
210.11165	0.4
215.06956	0.4
233.08072	2.1
279.10251	1.4
311.12787	1.3
329.13815	1.9
357.13248	3.4
375.14258	6.4
381.13229	0.8
385.12704	1.4
399.14175	0.5
453.15347	1.5
524.27002	2.7
528.76794	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	524.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78691	0.6
53.03945	0.9
55.06196	0.6
55.75617	0.6
69.03429	6.1
76.78830	0.8
78.03445	4.1
81.03416	14.2
81.99012	0.7
85.02914	5.7
97.02878	3.6
99.04442	1.7
100.94700	0.8
105.07048	1.8
106.02199	0.9
106.02912	38.6
109.02875	9.8
124.03950	100.0
127.03880	5.4
129.06996	0.9
133.06496	9.6
137.05975	25.8
149.41978	0.7
165.09093	7.3
175.07532	1.1
183.10236	1.0
250.07092	4.7
255.72760	0.8
257.13785	3.1
268.08130	44.9
287.82474	0.7
524.21259	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28168	2.6
71.04985	32.7
75.32907	2.8
85.02908	44.4
95.04951	3.6
122.62888	3.2
129.05457	6.8
137.05965	60.6
149.05962	7.0
151.07530	90.0
161.05933	6.1
163.07573	22.5
164.09204	13.8
165.09166	3.0
175.07510	6.5
177.09097	18.5
189.09077	33.6
196.61478	2.9
227.10655	21.1
253.08606	3.6
253.12256	13.6
255.10123	31.0
285.11224	14.6
287.12704	42.8
309.18430	3.5
313.14328	15.9
331.15344	100.0
459.20087	3.7
477.21182	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10106	1.0
55.03373	1.0
57.69551	1.1
60.52658	1.0
60.53609	1.2
74.92736	1.2
75.82883	1.0
79.05438	1.5
80.80452	1.3
82.33592	1.1
82.35509	1.1
86.09676	6.0
91.05473	62.6
93.07033	1.9
104.10757	9.9
105.06987	4.5
105.97112	1.1
107.04919	7.8
107.08582	2.3
117.60684	1.4
119.04943	12.3
119.08531	1.5
125.00014	1.3
129.06944	1.8
133.10121	1.4
134.09644	23.2
137.05975	11.7
143.08516	5.4
145.06383	1.6
155.08549	6.5
157.10133	5.0
165.06938	9.5
166.07761	2.5
167.08528	16.2
169.10045	1.8
179.08536	13.7
180.09355	9.5
181.10127	11.8
183.11635	1.7
184.07372	14.1
192.09277	1.8
193.10098	2.7
194.10809	18.7
195.07961	1.3
195.11659	7.6
196.12398	2.5
197.13216	2.6
199.14717	1.2
201.36798	1.4
204.09299	1.4
208.09392	1.2
209.09729	1.5
209.13226	31.9
210.11246	54.2
211.11011	1.3
219.11618	1.9
222.10353	5.5
225.12646	1.9
227.14293	5.1
237.12703	6.1
255.13675	2.8
315.15970	2.0
360.90759	1.5
382.41382	1.4
506.32169	2.0
524.26276	100.0
548.32141	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	524.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44664	0.8
56.45906	0.8
57.27337	0.8
74.65041	0.7
79.64093	0.9
85.15852	0.8
92.18443	1.9
97.06548	1.4
113.06035	1.1
119.08575	3.9
121.10136	1.3
131.08582	1.1
133.10135	3.8
135.08069	3.7
135.11639	0.9
137.05910	1.1
143.08517	1.0
145.06491	100.0
147.08060	5.4
149.09604	0.9
151.25505	0.9
155.08614	1.3
157.10114	1.1
159.11702	2.1
163.07549	20.8
163.75204	0.8
169.10121	1.9
171.11713	3.6
183.11696	3.9
192.09506	0.8
197.13260	4.9
199.11177	1.5
205.08612	11.2
207.11768	3.2
211.11296	1.2
223.14824	1.3
225.12769	3.8
234.14072	1.1
239.17935	11.0
246.80588	0.9
249.16397	4.6
265.10678	20.5
267.17398	21.8
285.18503	9.7
327.19553	32.4
345.20547	1.8
363.85037	1.0
387.21661	10.4
391.20474	1.1
447.23843	9.3
459.80014	1.1
524.28448	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	524.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77348	0.5
56.93673	0.5
58.82782	0.5
61.37772	0.5
67.05492	1.0
79.05498	7.6
81.07045	2.8
91.05466	1.0
93.07018	3.2
95.04967	1.0
95.08607	2.1
97.02876	0.6
97.09669	0.6
99.70789	0.5
103.05436	0.8
105.07011	5.5
107.04949	100.0
107.08575	5.3
109.10150	1.4
117.06973	0.9
119.08567	16.2
121.10143	2.2
131.04906	11.9
131.08569	3.9
133.10118	6.1
135.11664	1.5
137.09587	2.7
143.08560	3.5
145.10097	5.1
147.07964	0.8
147.11655	1.1
149.05969	43.5
155.08540	3.3
157.10057	5.5
159.11679	1.5
161.09602	2.8
166.08617	50.3
169.10046	4.3
171.11676	2.7
173.09552	0.7
173.13293	0.7
175.11209	1.3
178.27663	0.6
183.11697	3.1
185.13219	1.5
195.11690	1.2
197.13283	3.2
199.14857	1.3
201.12767	0.8
211.14839	2.5
223.14894	1.3
225.12770	0.9
225.16272	1.0
237.16425	0.8
239.17944	3.8
241.15819	1.0
253.19577	0.8
257.18820	1.0
281.18976	33.1
285.53650	0.6
299.20120	11.9
319.70187	0.7
341.21176	6.9
341.24847	0.9
464.27979	7.1
524.29980	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	524.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74163	0.8
57.12786	0.9
76.64455	0.8
79.05497	7.2
81.07052	1.8
91.05485	2.2
93.07048	2.4
95.08591	5.2
105.07041	5.5
107.04953	100.0
107.08584	5.8
109.10122	2.1
113.51230	1.2
119.08575	15.4
121.10151	1.1
131.04927	14.5
131.08557	4.3
133.10141	5.2
135.11682	1.6
139.21179	1.0
143.08546	1.8
145.10094	1.9
149.05974	37.3
149.07190	1.3
155.08568	1.6
157.10127	4.8
159.07956	1.6
159.11691	1.0
161.09612	2.1
166.08624	44.5
169.10124	4.1
171.11659	1.8
173.09613	1.5
180.10272	1.2
181.10172	1.1
183.11688	4.6
185.13332	1.3
194.11790	4.8
197.13257	2.1
207.11635	1.1
213.12849	0.9
225.16400	1.5
237.16380	1.2
239.17917	3.9
241.15884	1.7
263.17886	1.5
269.19131	1.7
281.18951	27.2
299.19962	9.1
341.21094	7.4
441.96500	1.1
464.27814	5.3
524.30267	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	524.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24613	0.9
59.10192	0.9
79.05493	7.2
81.07087	1.5
91.05452	5.9
93.07050	3.7
94.92289	1.0
95.08582	4.2
105.07016	5.9
107.04949	100.0
107.08555	1.4
109.06514	1.1
109.10159	1.8
117.06966	1.2
119.08570	15.3
121.10139	2.1
131.04921	11.9
131.08556	3.9
133.10109	4.9
134.09682	3.6
135.11653	1.4
137.09567	1.2
138.06378	0.9
143.08554	2.3
145.10110	2.0
149.05986	37.6
155.08559	1.6
157.10126	4.1
159.11639	1.3
161.09619	1.5
166.08626	36.8
169.10095	1.9
171.11748	1.1
173.09599	1.6
180.10101	1.3
183.11665	1.9
185.13203	1.2
194.11816	8.1
195.11664	1.1
197.13292	2.2
210.11484	1.3
211.11110	1.4
223.39989	0.9
225.12587	1.1
239.17960	4.1
248.03781	0.9
257.19080	1.2
270.56082	1.1
281.19019	25.7
299.19968	12.2
341.21069	6.4
402.56702	1.0
464.28070	7.4
524.30615	13.0
529.49597	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	524.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56395	8.1
56.37064	8.5
57.07060	12.5
59.89285	10.4
62.26214	9.2
66.24241	8.5
67.05473	9.3
70.35878	8.3
72.08863	9.3
81.07076	12.6
86.09708	21.0
88.03970	12.8
92.18524	16.5
93.07069	12.7
95.08602	17.0
104.10736	48.6
105.07022	40.3
105.11048	12.6
107.08580	18.0
109.10159	36.0
111.66516	9.9
119.08580	85.0
119.53116	9.5
121.10105	20.3
123.99769	9.8
131.04913	100.0
131.08582	21.7
133.10115	45.4
135.11700	19.9
142.48112	9.6
143.08542	42.2
155.08542	20.0
156.98857	9.8
157.10152	43.2
159.11702	20.8
169.10123	44.1
171.11652	37.8
183.11719	40.4
184.07336	61.4
197.13239	35.7
211.11258	12.1
223.14970	13.1
253.19597	9.8
281.19067	20.3
299.20026	45.6
314.86716	9.3
339.28912	17.4
447.25232	67.5
524.35974	57.8
524.85718	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	524.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
69.93137	1.4
81.07078	2.1
91.85506	1.3
93.07043	1.7
95.04962	22.1
95.08603	2.3
101.06055	1.7
107.08561	1.6
109.06530	2.1
123.11758	2.7
133.10118	2.4
135.07956	1.5
137.09615	79.9
149.09575	3.6
151.11176	32.8
151.76259	1.5
159.11708	1.6
166.41835	1.7
171.11652	3.3
175.11182	5.9
179.10712	3.1
185.13287	2.0
189.12753	1.6
195.11475	1.7
199.11224	13.3
203.14244	1.9
213.12810	2.6
241.19481	6.0
251.17986	2.8
259.20490	1.8
269.18918	20.1
287.20053	100.0
329.21085	1.6
347.22241	2.9
389.23196	1.8
445.59592	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	524.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64258	0.6
57.07085	8.8
61.77377	0.6
67.05479	0.7
68.62689	0.5
68.98126	0.5
72.61745	0.6
72.72697	0.5
75.98898	0.6
79.05504	0.7
80.15476	0.6
81.07043	0.8
85.06546	2.7
90.29463	0.6
91.05500	1.2
93.07051	0.7
95.01282	0.8
95.05031	0.7
95.08587	1.3
97.06550	1.2
99.56852	0.6
105.07018	2.3
107.08588	1.4
109.06519	0.7
109.10157	0.7
109.92686	0.6
117.06977	0.6
119.08559	2.5
121.06506	1.5
121.10172	2.4
123.04417	1.3
123.08054	0.8
131.08589	0.9
133.06500	0.7
133.10141	3.7
135.08055	8.9
137.06027	0.7
143.08612	2.2
145.06490	100.0
145.10129	3.9
147.08054	6.5
147.11784	0.9
155.08569	1.5
157.10117	1.4
159.11662	4.0
161.09653	0.7
163.07529	30.4
163.08820	1.2
171.11691	1.1
171.50778	0.8
183.11655	3.2
185.09732	0.8
187.11153	1.1
193.10205	0.9
197.13301	2.7
199.11255	3.2
199.14816	0.8
205.08612	16.2
207.11736	2.8
209.13354	1.4
211.11125	2.4
223.14781	0.8
224.15630	0.8
225.12717	3.1
234.14024	1.3
239.14305	0.9
239.17947	1.4
241.15868	1.3
243.17274	0.6
247.13322	4.0
249.16486	3.2
252.15125	0.9
257.18884	0.7
265.14352	2.4
267.17459	13.3
285.18521	10.3
296.77960	0.6
303.19693	0.9
307.15396	23.7
327.19562	16.3
345.20532	2.5
369.24368	3.2
429.26450	0.6
524.32312	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	524.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
59.04991	2.0
62.23573	1.1
67.05501	7.2
69.07045	3.2
69.94024	1.2
70.86826	1.1
79.05501	8.7
81.03429	2.8
81.07067	20.0
83.04997	1.7
91.05471	9.7
92.18467	1.8
93.07047	21.5
95.04961	8.6
95.08602	19.9
105.07031	20.3
107.04960	2.3
107.08591	38.3
109.10171	14.6
111.08076	5.1
112.31624	1.2
117.06992	9.9
119.04956	2.8
119.08588	46.6
120.94385	1.4
121.10139	18.1
123.11689	7.0
130.07808	2.1
131.08591	11.4
133.06482	2.8
133.10127	96.5
135.08052	100.0
135.11673	7.4
137.09627	7.4
143.08542	14.1
145.06497	8.1
145.10127	55.8
147.08046	2.7
147.11665	14.6
149.09592	1.9
155.08560	7.7
157.10103	17.0
158.54910	1.5
159.11664	17.1
161.09633	10.6
161.13284	1.4
163.11163	26.5
167.08542	7.2
168.09389	1.9
169.08862	1.6
169.10069	10.9
171.11681	17.3
173.09538	1.6
173.13287	5.3
175.11243	1.9
179.08527	2.4
179.10732	5.5
181.10133	10.8
183.11667	17.6
185.13280	7.5
189.12866	1.4
194.10928	2.4
195.11705	15.1
197.13248	14.8
199.14839	6.3
208.12511	2.3
209.13243	27.5
211.14915	2.4
213.16389	1.8
221.13298	1.8
223.14824	23.8
225.16386	2.5
227.14296	2.9
235.14961	1.6
236.15617	1.5
237.16380	3.2
239.17979	6.6
241.19588	1.6
250.17166	3.0
255.21091	2.9
265.19498	83.4
283.20575	46.1
283.22833	1.5
301.21613	6.7
325.21661	7.3
385.23770	24.5
405.26297	7.9
447.27411	5.7
524.32318	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12969	1.0
55.05502	1.4
58.78967	1.0
67.05497	4.6
69.03424	1.5
69.07057	1.1
70.82173	1.0
79.05487	6.6
81.03403	1.9
81.07059	13.1
83.08590	1.4
91.05465	5.4
93.07028	12.4
95.04967	2.8
95.08608	13.5
96.17596	1.1
98.12022	1.1
105.07022	11.6
107.04919	1.7
107.08595	23.9
109.06479	1.8
109.10175	5.9
117.07027	6.3
119.04932	1.9
119.08579	19.6
121.10137	12.3
123.11700	5.8
130.07826	1.2
131.08568	7.9
133.06488	5.2
133.10123	38.6
135.08051	100.0
135.11687	5.1
137.09633	2.5
143.08585	7.2
145.06479	8.1
145.10110	30.2
147.08003	1.5
147.11690	6.8
155.08556	4.8
157.10104	8.5
159.08020	2.0
159.11697	10.4
161.09570	11.5
163.11168	14.8
167.08626	2.2
169.10107	8.5
171.11664	8.5
173.13242	5.2
175.11105	1.8
179.10667	7.7
181.10110	10.0
183.11754	8.4
185.13206	6.4
187.11166	2.3
189.12753	1.8
194.10938	2.7
195.11610	8.9
197.13274	7.0
201.12767	1.4
208.12386	1.7
209.13217	13.9
223.14824	12.0
227.14229	1.9
255.20827	1.3
265.19489	36.2
283.20569	25.3
301.21597	1.7
325.21396	2.0
343.22708	1.7
385.23691	11.2
389.81824	1.2
405.26315	6.0
447.27377	11.6
466.46600	1.3
506.84006	1.2
524.32111	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78460	0.7
55.19634	0.8
59.05001	1.7
79.05488	6.9
81.07049	1.6
91.05444	1.3
95.08586	3.6
105.07040	6.4
107.04950	95.3
107.08582	1.8
109.10155	2.1
119.08564	3.4
120.08092	13.3
121.10108	2.1
131.04880	1.1
133.10085	2.0
143.08531	1.9
145.10088	3.6
147.11623	1.1
149.05969	20.7
155.08580	1.2
157.10155	6.2
159.11676	1.8
159.77711	0.9
171.11670	3.4
173.13347	1.0
180.10179	100.0
185.13333	1.6
195.23402	0.9
225.16446	0.8
241.19518	5.5
243.21124	1.1
267.21091	2.0
285.21936	1.4
435.37582	0.8
464.31549	21.6
524.33636	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	524.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	7.1
81.07047	2.3
90.63348	1.9
91.05460	3.2
93.07010	1.5
93.32391	1.6
95.08592	2.0
105.07013	7.4
107.04951	100.0
107.08575	2.7
109.10155	1.6
119.08575	1.9
120.08105	11.8
131.08551	2.2
133.10129	2.7
143.08524	5.5
147.11661	2.0
149.05937	22.9
157.10072	2.8
166.08609	2.6
169.10100	2.0
171.11700	2.2
171.39639	1.5
173.13306	1.5
180.08574	3.2
180.10184	99.6
181.50540	1.4
183.11787	2.3
185.13213	1.8
210.11148	1.8
211.14874	1.8
241.19632	3.0
267.20990	1.9
283.08966	1.6
285.22189	2.1
292.15689	1.7
302.78094	1.5
334.91333	1.6
464.31482	24.1
506.83945	1.5
524.33649	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	524.3711
Annotation	PAF C-16
Peak:m/z	Relative Intensity
57.07067	1.2
57.64365	0.4
58.06601	0.6
60.07906	0.6
60.08168	11.4
60.10109	0.4
67.42865	0.5
70.15384	0.4
71.07355	2.3
71.08636	2.2
75.89398	0.4
86.09704	36.8
104.10740	83.7
124.99995	17.9
147.85896	0.5
163.01498	1.9
184.07324	100.0
291.32883	0.5
341.30515	1.2
455.85471	0.6
506.35895	6.5
506.42999	0.7
524.37042	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2123
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
51.46125	1.0
51.59770	1.3
53.03949	1.6
67.33794	1.1
71.28699	1.1
77.03933	1.9
79.05511	2.4
91.05466	2.5
91.19091	1.3
92.18481	1.6
93.07021	5.7
95.04952	8.4
96.92365	1.2
105.03395	100.0
105.04489	4.0
105.07028	8.2
109.06499	4.9
116.77945	1.2
117.07078	1.3
119.04929	2.4
119.08587	8.0
121.06495	5.9
121.10165	2.4
123.04416	5.1
131.08563	2.6
133.06487	2.4
133.10158	10.3
140.28105	1.2
143.08559	2.4
145.10129	2.4
145.11279	1.4
147.08051	7.4
149.05963	1.5
149.09647	1.4
151.07605	2.1
155.08466	4.0
157.10138	5.0
159.08028	9.1
161.05986	2.9
161.09547	2.6
165.09084	1.9
167.08617	1.7
168.09378	1.5
169.10191	2.0
171.08020	2.0
171.11623	1.8
177.09090	2.2
179.08565	2.2
180.09377	1.6
181.10068	2.1
183.08113	1.4
183.11707	7.2
185.09645	4.9
189.09154	1.4
193.08589	1.5
193.10051	9.2
195.11722	6.3
197.09639	2.6
199.11124	2.9
207.11716	4.7
208.12502	2.6
209.09642	5.4
209.13210	2.9
210.10503	2.2
211.11105	11.0
211.14752	1.4
213.09218	2.3
218.10977	1.8
220.12466	6.7
221.09633	4.7
222.10498	1.8
223.11191	1.5
223.14711	2.1
233.13371	3.1
235.11179	2.1
235.14813	6.2
236.11952	2.6
237.12775	5.4
239.10585	9.1
241.08672	1.7
249.09076	2.2
251.14343	6.1
253.15857	5.8
257.11758	2.0
261.12775	2.3
267.09988	1.5
269.15387	2.7
279.13815	9.9
281.15375	1.4
285.11298	2.9
287.09076	3.0
297.14801	6.3
299.12970	2.6
299.16492	6.4
307.13297	13.9
325.14432	13.0
343.15417	48.0
465.18948	2.5
525.21100	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	525.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
56.75297	1.4
59.36509	1.2
59.67810	1.4
65.86765	1.3
67.05505	1.5
71.01332	3.0
77.03909	1.8
79.05476	2.7
79.87807	1.3
80.13789	1.2
81.03412	1.7
81.07071	1.7
86.38622	1.4
91.05430	2.9
93.07019	9.5
95.04954	10.9
95.08594	3.3
103.81121	1.3
105.03390	100.0
105.07028	14.7
105.86844	1.3
107.04938	2.0
109.02885	3.4
109.06522	2.9
119.04953	6.3
119.08582	8.6
119.96844	1.4
121.06480	7.7
121.10123	9.0
123.04462	2.4
129.06999	1.7
133.06465	6.5
133.10153	8.3
137.05995	1.9
143.08549	3.4
145.10103	2.2
147.08052	10.2
149.05934	5.4
149.09604	3.5
155.08560	3.2
155.81032	1.4
157.10100	3.5
159.08028	13.6
161.05974	6.6
161.09607	7.5
163.07449	1.9
165.09085	2.9
167.08682	2.3
169.10094	7.9
171.07967	1.8
171.11758	4.4
173.09589	2.6
177.09116	2.4
179.08514	1.6
181.10101	6.7
183.08040	2.1
183.11671	10.8
185.09624	5.3
193.08684	1.7
193.10138	14.1
194.10898	1.6
195.11717	6.5
197.09579	6.1
199.11253	1.6
205.08553	2.2
206.10890	1.6
207.11673	2.9
208.12427	2.8
209.09613	7.7
209.13193	7.5
210.10374	1.9
211.11176	12.6
213.09076	2.7
213.12741	2.6
220.12477	7.0
221.09737	2.3
221.13223	1.8
222.10437	2.3
223.11255	5.4
223.14807	3.5
224.15169	2.1
225.12712	3.1
227.10626	3.0
227.14151	1.6
233.13179	2.5
235.14847	7.0
236.11995	5.7
237.12689	7.0
239.10606	5.8
239.14296	2.4
250.13359	1.7
251.14185	12.6
252.14621	6.1
253.12247	1.8
253.15858	7.4
255.10310	1.7
255.13792	2.2
261.12766	2.1
265.12283	2.7
269.15280	5.6
271.16882	1.7
279.13751	11.6
281.15454	5.8
285.11130	2.0
287.09213	3.0
297.14862	8.8
299.12988	3.1
299.16498	7.3
307.13223	14.6
315.15988	2.3
325.14377	13.5
343.15326	36.6
361.16412	1.8
403.17395	1.9
419.32678	1.9
465.18918	6.4
507.19995	2.6
525.21027	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	525.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85034	1.0
66.40386	0.9
67.05504	1.3
69.07061	2.0
79.05511	1.7
81.07069	2.1
83.08621	1.3
85.12592	0.9
91.05499	2.5
93.07030	6.0
95.08587	6.7
97.06541	1.6
98.49186	1.3
105.07037	12.5
107.08599	4.4
109.10149	7.0
117.07029	1.3
119.08575	20.4
121.06480	1.5
121.10143	6.4
129.06975	1.6
131.08563	6.0
131.48813	1.2
133.06490	1.2
133.10139	16.3
135.11671	1.4
143.08551	15.8
145.10103	11.2
147.08011	2.6
147.11662	4.2
155.08594	10.1
157.10143	15.2
159.08035	4.2
159.11714	4.4
161.09669	4.6
167.08554	1.6
169.10092	14.5
171.11641	8.2
173.09653	4.3
173.13208	1.6
175.11171	1.5
179.08572	1.9
181.10078	6.1
183.08113	1.3
183.11736	10.4
185.09628	1.2
185.13219	5.1
187.11139	1.7
193.10167	6.4
195.11684	6.6
197.09648	4.8
197.13287	5.6
206.10928	5.9
207.11691	9.9
208.12398	1.6
209.13246	2.1
211.11241	5.4
211.14888	2.5
220.12502	1.6
221.13202	8.8
223.14799	1.9
225.12830	2.1
233.13293	4.3
234.14099	1.3
248.15614	2.4
253.19435	2.2
263.17920	8.4
281.19104	10.6
299.19919	1.4
300.03946	1.3
323.20013	2.6
345.18222	1.6
405.20453	10.2
465.22476	100.0
525.24445	38.3
525.32129	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	525.2485
Annotation	Vielanin C
Peak:m/z	Relative Intensity
55.15940	1.8
59.17355	1.7
62.08694	1.5
69.07085	1.7
77.90319	1.6
90.17679	1.8
91.05485	2.5
91.51508	2.1
93.07058	2.0
101.11134	1.8
103.05512	2.7
107.04950	25.4
116.86952	1.7
119.04948	2.0
124.05154	2.9
131.04933	28.8
133.02837	7.3
133.85452	2.1
135.04411	3.6
135.08070	2.5
137.05980	33.8
139.03905	16.6
144.35594	1.7
145.06490	2.5
147.04388	8.9
149.05968	4.3
150.06844	4.4
151.03795	2.2
151.07549	9.8
157.83842	1.8
161.05989	7.6
162.06776	24.8
163.07549	16.0
167.06989	2.6
175.07622	2.0
177.05464	2.9
179.07191	2.2
183.07909	2.6
185.09714	1.9
197.09694	3.0
199.07420	1.9
199.11101	2.1
201.09145	8.8
203.10738	1.9
215.10591	2.8
227.10703	3.6
229.12390	2.1
239.10718	4.1
241.12334	3.7
243.10155	2.3
243.13806	8.8
253.08626	2.1
255.10126	2.5
257.08224	2.9
265.15845	1.9
269.11697	2.7
281.15320	4.2
308.35754	2.0
461.23508	3.4
489.22842	2.9
507.23553	13.1
525.24829	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	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.9
69.27191	5.6
75.04671	6.2
79.05480	10.5
81.07043	8.0
83.04973	36.1
91.05480	10.0
93.07031	46.7
95.08604	9.8
99.50059	6.2
105.07031	44.4
107.04964	100.0
107.08582	15.3
108.05293	13.4
109.06493	24.0
109.88876	5.7
117.07003	7.9
119.08547	15.4
121.06490	25.5
121.10127	11.9
131.08603	23.6
133.06464	52.1
133.10149	44.1
135.04414	12.4
135.11691	7.1
143.08551	13.6
145.10109	40.2
147.08049	13.6
149.05988	64.2
149.09601	7.6
155.08537	30.3
157.10152	25.6
159.08124	7.4
161.09601	31.9
163.11171	9.5
166.08665	29.1
167.08792	10.2
169.10059	26.6
171.11676	31.7
180.09341	8.4
181.10117	28.8
183.11687	12.9
192.09354	29.8
195.11679	30.5
197.09608	14.5
197.13251	29.8
199.11096	12.0
207.11702	46.6
209.09598	11.4
209.13231	7.7
210.10449	12.2
211.11165	8.8
213.12807	14.1
225.12773	35.9
235.11160	11.7
237.16254	11.9
239.14386	11.7
253.12267	52.2
265.15790	13.7
271.13297	43.1
281.18823	8.8
282.19345	11.3
283.16858	25.2
289.14365	11.8
293.15326	9.7
311.16440	46.6
320.72449	7.1
329.17426	66.3
347.18524	9.0
389.19577	9.7
525.29828	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21322	2.7
53.18453	2.7
53.94659	3.1
60.53363	2.9
90.51094	4.1
92.17886	4.6
131.08658	3.5
132.53018	3.4
136.24242	3.2
141.05215	22.7
278.35007	4.0
387.26126	3.3
525.28162	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	525.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66594	2.7
59.62414	2.7
66.96425	2.6
69.48275	2.7
86.09711	3.9
90.76963	3.2
92.18581	3.9
93.07079	3.1
107.08597	3.9
141.05212	21.2
155.47723	2.9
184.05879	5.1
184.07312	36.5
185.07648	4.9
423.25003	4.4
525.28265	100.0
525.35840	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	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58435	0.6
61.02918	1.1
69.03441	1.1
71.04963	0.9
81.03407	1.1
85.02913	14.2
95.08646	1.4
97.02886	5.5
99.04409	1.0
101.26411	0.8
103.05473	6.8
109.02864	1.0
121.10116	1.3
123.04388	1.2
127.03909	2.9
131.04919	100.0
137.05966	19.4
145.04999	1.0
147.04405	27.2
147.08054	3.8
149.06001	5.3
151.07526	5.0
161.06010	3.4
162.06734	4.1
163.07533	76.7
175.07550	26.4
179.07063	1.0
193.08595	19.3
241.08638	1.1
271.09637	3.0
273.11230	1.1
285.10953	0.9
299.12491	1.5
305.82327	0.9
311.12924	0.9
317.13867	25.0
347.14886	1.8
459.30896	1.8
526.23181	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05979	1.1
62.46452	1.2
69.02718	1.4
72.91660	1.3
76.32375	1.4
85.02899	2.3
91.05447	1.5
103.05489	2.0
119.04964	3.1
121.06480	1.7
123.04412	2.3
131.04950	12.3
135.04340	2.0
135.34712	1.6
137.05972	70.3
147.04379	2.5
149.05951	16.3
151.07532	47.6
152.39081	1.5
157.06479	7.5
161.06001	8.1
161.09604	7.2
161.61717	1.4
163.07530	100.0
171.08035	1.6
175.07526	24.4
187.07430	1.8
189.09094	22.8
207.10156	15.8
213.09114	5.4
221.09703	1.9
230.33968	1.7
241.08638	5.0
249.09088	2.7
253.08577	3.2
253.12212	8.5
258.08884	2.1
271.09607	26.5
273.11343	12.6
281.11703	2.1
297.11426	4.7
299.12787	9.8
317.13824	91.6
329.13641	3.0
331.15350	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	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91603	0.5
60.77493	0.6
78.22376	0.6
85.02899	0.7
93.05305	0.7
94.94283	0.6
103.05464	1.1
107.04951	2.5
120.08099	100.0
131.04915	3.2
137.05959	1.0
138.11008	0.6
149.05969	3.1
162.00569	0.6
166.08623	47.8
166.25662	0.7
167.06985	4.4
195.17461	0.8
208.84378	0.7
232.40196	0.8
276.12268	1.5
493.48392	0.6
526.19147	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	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07946	1.3
64.12619	1.5
71.69221	1.4
78.86395	1.5
79.05503	3.4
81.07047	2.0
91.05467	4.1
93.07040	2.6
95.04987	2.9
105.03381	2.6
105.07001	2.3
107.04957	8.9
107.08575	2.3
109.06493	1.9
119.04972	1.9
119.08552	3.3
119.71065	1.7
121.06490	3.4
123.08035	2.1
129.07004	1.9
131.08636	1.7
133.06505	2.5
133.10124	2.7
140.33157	1.5
143.08603	5.9
145.10138	11.2
147.11722	2.5
149.06018	2.2
155.08539	3.0
157.10110	8.1
159.08102	6.4
159.11749	3.5
161.09641	9.5
163.07460	1.6
163.11177	1.7
167.08531	1.8
169.10141	4.3
171.11679	3.0
173.09647	3.3
179.08521	2.8
181.10168	7.8
183.08052	2.0
183.11664	3.7
185.09621	3.9
187.11076	2.6
193.10211	3.0
194.11823	2.8
194.28786	1.8
195.11638	15.9
197.09630	14.3
197.13260	4.0
199.11180	3.7
206.10854	7.8
207.11717	7.4
209.09625	3.0
209.13353	3.2
210.11311	3.5
211.11099	7.5
211.14781	3.7
213.12700	6.8
217.10133	4.2
221.13223	17.8
223.11186	7.2
223.14822	8.8
225.12769	6.9
227.10532	1.9
232.12495	9.3
233.13280	2.1
237.12624	2.8
237.16353	2.6
239.14339	15.0
240.15004	2.8
241.12234	2.2
247.14839	11.0
249.12808	10.4
251.14326	7.8
265.15915	14.1
267.13840	6.2
275.14258	4.2
283.16904	10.8
293.15515	21.0
311.16354	100.0
329.17484	31.3
363.58472	2.0
371.18353	2.8
526.31232	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	526.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	5.8
72.40570	4.5
79.05516	6.3
91.05480	5.5
93.07039	6.9
95.04974	6.5
105.07005	24.8
107.04945	47.6
107.08587	6.7
109.10201	4.5
118.22162	4.6
121.06496	26.3
123.08028	5.8
131.08548	11.2
131.66133	5.1
133.06493	22.1
133.10141	5.7
135.08051	20.2
137.05949	7.5
138.31245	5.4
143.08521	8.4
145.06447	5.8
145.10110	8.9
149.05992	20.7
149.09587	8.5
151.07503	5.5
155.08578	4.8
157.10077	7.4
159.08070	12.1
161.09615	20.3
163.07510	8.4
171.08145	5.1
173.09618	11.6
175.65576	4.8
177.09106	8.1
181.10146	5.8
185.09688	5.3
187.11214	7.3
194.11790	38.5
195.11694	11.2
197.13432	7.8
199.11253	8.0
207.11568	8.2
209.09581	8.3
210.10310	6.3
211.11174	100.0
223.11169	18.9
223.14804	7.8
225.12741	45.5
232.12457	7.8
235.11215	9.9
237.16589	9.9
241.12238	5.6
243.13873	6.0
247.14819	33.3
250.13574	8.3
250.64085	4.9
253.12212	27.1
260.12042	9.9
265.15793	44.5
269.15311	5.8
271.13153	8.0
275.14383	33.0
283.17020	9.7
293.15408	72.4
311.16440	31.8
329.17447	9.9
331.15396	38.2
335.16516	5.8
353.17520	6.0
371.18454	25.3
395.18411	6.1
416.09500	6.5
431.20541	8.5
436.79327	5.2
473.21793	79.3
491.22754	42.9
526.31702	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04400	0.5
58.26752	0.5
63.06958	0.4
73.43059	0.7
79.05479	6.1
81.07038	0.6
95.04942	0.6
95.08624	0.7
105.07038	0.7
107.04944	100.0
119.08571	0.8
123.11710	0.7
134.09633	7.1
149.05962	18.0
164.61378	0.6
194.11745	86.1
308.92361	0.5
330.04306	0.5
344.36484	0.5
508.30933	1.0
526.31555	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26573	0.6
61.47987	0.7
66.13135	0.5
73.16640	0.6
76.89854	0.6
79.05497	5.6
79.96315	0.6
81.07006	0.7
91.05474	0.7
92.17860	0.8
97.88671	0.6
107.04951	100.0
134.09642	6.2
149.05968	20.4
194.11755	87.9
210.98956	0.6
223.66171	0.7
227.86806	0.6
247.83862	0.6
251.17967	0.6
258.97971	0.6
283.17261	0.6
339.56851	0.7
343.93335	0.7
387.46613	0.7
487.36313	0.7
526.31641	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64793	0.5
55.18213	0.7
57.25542	0.5
61.65447	0.5
73.85594	0.6
79.05487	5.5
81.07027	0.9
82.11617	0.5
95.04942	0.6
95.08617	1.1
100.69475	0.6
105.03355	1.0
105.07021	1.0
106.70300	0.5
107.04950	79.9
107.08634	0.8
123.11813	0.6
134.09622	1.4
147.11717	0.7
149.05965	16.9
159.11617	0.8
194.11754	100.0
209.10519	0.6
209.13170	0.6
210.33844	0.6
221.13083	0.6
222.81561	0.6
495.02820	0.6
526.31708	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17842	1.0
60.15061	0.8
62.31896	1.0
67.67036	0.9
79.05482	5.4
81.07035	1.9
93.07031	1.2
95.04973	1.3
95.08585	2.2
97.10131	0.9
105.03390	13.1
105.07059	4.0
106.03712	1.8
107.04957	67.7
107.08582	2.2
109.06535	2.3
114.80761	0.9
121.06515	1.0
121.10108	1.7
133.10121	2.3
134.09671	9.7
143.08652	1.1
149.05977	20.3
157.10144	1.1
159.07993	1.3
159.11620	2.2
171.11635	1.5
175.87741	1.0
183.11612	1.1
193.10129	1.1
194.11768	100.0
255.07103	1.2
294.44632	0.9
308.13809	1.4
315.19595	1.5
326.14679	1.2
343.15225	1.3
344.15698	1.9
395.70667	1.3
508.30444	10.8
526.23499	1.6
526.31732	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	526.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
78.24280	0.9
79.05495	4.1
81.07059	1.5
86.98727	0.9
87.96640	1.0
90.03548	0.9
95.04957	1.5
98.30494	1.0
101.29530	1.0
105.03410	1.9
107.04951	72.6
107.05685	2.4
109.06526	2.3
109.10167	1.6
114.86744	1.2
119.08553	1.6
120.36158	1.0
121.06428	1.1
121.10191	1.0
133.10109	1.9
134.09653	10.8
149.05966	20.5
185.13319	1.2
194.11760	100.0
205.37849	1.1
315.19620	1.3
352.30640	1.1
480.81259	1.0
502.00504	1.0
508.30515	16.1
526.31525	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68118	1.3
59.86572	1.3
79.05485	2.7
89.31568	1.3
95.08579	1.7
105.07032	2.0
107.04954	99.4
109.06428	1.5
114.67583	1.3
121.10123	1.9
129.90218	1.6
131.04955	1.5
134.09666	6.5
137.05963	5.2
149.05966	22.3
194.11763	100.0
217.11363	1.4
448.90729	1.5
526.24652	2.4
526.31934	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80389	0.7
67.45374	0.6
79.05500	4.8
84.28116	0.9
92.17915	0.8
107.04951	100.0
107.08588	1.0
129.75459	0.8
131.41945	0.8
134.09624	8.7
149.05977	18.1
194.11749	87.1
249.98326	0.7
312.41132	0.9
526.31604	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05508	5.4
95.45133	0.6
105.03400	1.5
105.07000	1.0
107.04949	72.5
107.08617	1.3
120.23045	0.6
123.08068	0.8
134.09604	1.0
145.10156	0.7
149.05974	14.5
194.11755	100.0
242.62686	0.6
271.17072	1.1
404.64450	0.6
526.31616	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	526.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
78.24280	0.9
79.05495	4.1
81.07059	1.5
86.98727	0.9
87.96640	1.0
90.03548	0.9
95.04957	1.5
98.30494	1.0
101.29530	1.0
105.03410	1.9
107.04951	72.6
107.05685	2.4
109.06526	2.3
109.10167	1.6
114.86744	1.2
119.08553	1.6
120.36158	1.0
121.06428	1.1
121.10191	1.0
133.10109	1.9
134.09653	10.8
149.05966	20.5
185.13319	1.2
194.11760	100.0
205.37849	1.1
315.19620	1.3
352.30640	1.1
480.81259	1.0
502.00504	1.0
508.30515	16.1
526.31525	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1739
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
64.99139	1.3
82.13826	1.7
85.17481	1.3
88.01231	1.3
91.08256	1.4
93.58196	1.4
111.18468	1.6
112.99538	1.4
127.14066	1.8
137.09624	1.9
264.63129	1.5
317.27628	1.7
527.17310	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	527.1738
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
57.51349	0.6
58.33920	0.5
67.07684	0.6
70.41392	0.6
73.39054	0.6
80.64173	0.6
85.28960	0.6
113.17605	0.7
137.05923	0.9
163.07524	1.1
285.61572	0.8
313.08545	0.8
318.14310	1.1
495.28436	0.8
509.16165	1.1
520.08691	0.8
527.17303	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	527.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28859	3.5
52.43449	3.8
67.05500	6.1
71.01344	25.3
81.07039	4.9
88.47562	3.5
90.02596	4.4
91.05495	4.4
92.17841	4.4
93.07040	16.0
95.04935	14.3
95.08628	7.0
96.93389	3.6
105.03387	98.5
105.07037	27.0
110.88084	4.6
110.95673	3.9
119.08551	5.6
121.06495	17.9
121.10145	17.6
123.08015	5.3
133.06496	16.6
133.10112	16.5
143.08566	8.8
145.10101	5.4
147.08054	7.4
149.09618	6.9
151.07520	7.3
155.08572	4.4
157.06462	5.3
157.10057	6.7
159.08047	6.6
161.09584	15.6
169.10147	7.6
171.08066	7.7
181.10139	15.2
183.07999	5.7
183.11693	18.1
193.10118	19.8
195.11694	24.1
197.09627	4.9
199.11227	5.1
207.08139	4.6
207.11765	5.9
209.09639	7.0
209.13220	4.9
211.11227	9.6
213.12680	5.1
220.12474	5.6
221.13293	8.3
224.11946	5.7
225.12775	5.4
235.14848	13.7
239.14520	6.5
253.15970	6.8
255.17577	4.1
263.14362	14.5
281.15378	25.8
291.13788	4.9
299.16495	18.3
309.14862	100.0
327.15924	85.4
345.17017	31.9
366.99146	4.7
434.66779	4.9
496.15466	4.6
527.22974	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	527.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38932	3.3
64.67805	2.9
67.05492	3.8
69.03423	3.1
79.05484	7.4
81.03401	3.7
81.07057	4.3
91.05487	7.7
91.06097	3.2
93.07030	17.9
95.04955	21.7
95.08626	5.7
105.03396	100.0
105.04515	5.4
105.07035	18.6
107.08583	6.0
109.06487	6.6
113.26271	3.7
119.08594	12.4
121.06513	21.9
121.10101	6.7
123.08041	4.4
123.53275	3.1
129.06993	3.6
131.08540	4.9
133.06500	17.3
133.10126	20.6
143.08582	4.9
145.10150	5.8
147.08023	15.2
149.05930	6.0
149.09595	6.8
151.07605	6.2
152.44308	3.9
157.10124	13.3
159.08005	15.7
159.11702	8.2
161.09621	16.1
168.09312	3.8
169.10179	6.5
171.08003	5.9
171.11687	7.8
179.08492	4.1
180.09348	4.9
183.11723	7.4
185.13223	3.7
187.11197	6.0
193.10098	13.6
195.11722	17.4
197.09636	5.3
197.13321	6.3
199.11244	5.8
206.10989	3.8
209.09508	4.8
211.11194	14.2
220.12477	8.1
223.11234	6.4
225.16397	3.6
227.14287	4.2
230.11006	4.1
232.03813	3.6
235.14819	7.3
239.14279	5.7
253.15866	7.8
263.14154	5.5
269.15396	3.6
281.15323	5.0
287.12646	3.4
299.16486	15.4
309.14819	6.2
327.15927	7.5
345.17047	28.9
527.22467	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	527.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55655	3.0
51.36302	3.1
51.39488	2.8
61.87221	2.5
69.03443	5.6
70.39909	3.3
75.40788	2.8
75.80312	2.7
79.05505	3.2
86.29800	3.3
91.00014	3.4
91.05447	4.3
93.07044	12.6
95.04958	16.6
95.08585	5.9
105.03391	100.0
105.04478	5.1
105.07008	14.4
107.04958	6.9
107.08597	4.7
121.06470	4.4
121.10123	5.7
121.32972	3.4
131.08638	4.2
133.06470	6.8
133.10120	21.1
135.08084	7.5
143.08582	7.9
145.10103	5.1
147.04355	6.7
151.11195	5.4
157.10100	4.7
159.07962	5.1
161.09650	7.7
163.07666	4.3
165.06978	4.7
169.10094	5.2
171.08044	19.2
171.11667	6.4
181.10141	6.6
183.08044	4.3
183.11739	6.4
185.09668	5.4
193.10118	6.4
195.11668	6.1
196.08789	3.5
197.09659	20.2
198.10379	7.9
199.07536	7.0
199.11192	46.5
208.08987	5.2
211.11192	16.2
213.12634	23.4
218.32950	3.2
223.11218	17.8
225.16408	3.4
227.14227	5.0
235.14839	5.6
239.10606	3.9
240.51920	3.4
241.12263	21.2
248.12099	5.9
269.11771	4.4
281.15356	6.5
287.12744	33.3
299.16544	4.5
309.14822	6.3
327.15979	18.0
345.17117	6.3
527.22528	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	527.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.0
77.03934	2.5
79.05489	4.2
81.07085	2.8
83.04945	2.3
91.05461	1.8
93.07046	12.8
95.04961	10.2
95.08596	4.2
105.03395	100.0
105.04487	3.1
105.07042	13.1
107.04952	6.7
107.08609	4.2
109.06493	2.6
115.11600	1.6
119.08568	10.6
121.06523	13.3
121.10131	11.5
123.04455	2.2
123.08042	3.5
129.07010	1.9
131.08527	2.1
133.06479	8.7
135.08055	3.9
137.09659	2.4
143.08603	2.0
145.10103	2.9
147.08047	9.5
149.05972	2.6
149.09584	8.3
151.07529	7.2
155.08473	2.5
157.10114	3.8
159.08043	4.1
159.59769	1.8
161.09572	7.4
165.09058	2.0
169.10081	3.8
171.08047	2.4
171.11696	2.8
173.09698	3.4
175.07501	2.2
175.11249	2.3
177.09111	4.1
178.73819	1.7
179.08641	2.4
181.10071	3.3
183.11696	4.1
185.09584	7.1
185.37712	1.8
187.11211	9.7
193.10078	4.2
195.11778	4.1
196.12434	1.8
197.09607	9.8
199.11243	2.7
201.09244	1.9
209.09537	2.8
211.11241	6.4
212.11847	2.2
213.12685	3.2
215.10681	7.5
220.12527	2.5
223.11238	3.9
224.11943	2.3
225.09056	3.1
225.12755	4.1
231.13762	3.8
235.14772	2.3
237.12672	2.8
239.10770	2.3
239.14352	4.5
241.12477	2.2
243.13705	2.9
250.09935	2.1
253.15865	3.6
253.97787	2.0
263.14294	3.6
265.12173	2.8
266.12958	2.1
267.13812	2.9
267.61154	1.8
271.16959	2.9
281.15311	14.1
283.13370	2.5
297.15100	2.1
299.16382	12.0
309.14661	15.2
327.15982	36.8
345.17044	8.2
387.18057	4.3
404.28610	2.0
405.19229	2.2
449.19742	3.4
509.21872	4.0
527.30896	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	527.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01877	1.1
55.05513	1.0
65.85004	0.7
67.05489	1.2
67.55750	0.9
69.07076	0.9
77.03926	1.3
79.05495	1.7
81.07062	1.7
91.05487	1.8
93.07050	6.2
95.04979	10.3
95.08606	3.5
100.79574	0.8
105.03394	100.0
105.04408	6.1
105.07021	5.8
107.04957	1.3
107.08599	1.7
109.06519	4.2
109.10171	2.0
111.08074	1.0
119.08595	3.0
121.06481	4.0
121.10140	6.9
123.04429	5.6
123.08044	6.3
131.08604	1.9
133.06488	10.4
133.10138	3.2
135.08076	1.6
137.05965	3.7
137.09554	1.9
143.08542	1.3
145.06485	1.8
147.04402	1.2
147.08023	1.4
149.05965	4.0
149.09647	6.6
150.83090	1.0
151.07530	1.9
151.11179	1.5
155.08525	1.9
157.10141	1.7
159.08041	4.2
161.09610	1.6
163.07538	1.0
165.05534	0.9
165.09140	3.3
167.08563	1.0
169.10088	2.0
171.08003	1.0
171.11742	1.3
173.09502	1.2
175.07565	1.2
177.09091	8.0
178.01166	0.9
179.10695	3.7
183.11722	3.4
185.09602	2.1
187.11122	1.6
189.09012	1.4
190.33798	0.9
193.10194	1.4
195.11723	1.7
197.09610	3.9
197.13235	1.6
199.07564	1.0
199.11214	1.2
207.10042	7.9
207.11806	1.2
209.13310	1.1
211.11179	3.6
211.14703	0.9
215.14299	1.1
221.13289	2.1
223.11121	1.6
224.11977	1.5
225.12764	1.6
225.16345	1.0
227.10641	1.2
235.14842	1.7
237.12582	1.4
239.10611	1.4
239.14206	2.7
241.12392	1.3
253.15851	3.1
255.13728	1.6
257.15262	1.4
263.14236	0.9
271.16931	3.6
281.15329	4.6
283.13309	3.4
285.14825	1.4
299.16379	1.7
303.15948	1.7
309.14719	3.8
317.17511	4.8
327.15826	11.9
345.17010	31.4
375.05075	1.2
387.17987	1.3
527.09662	1.2
527.22656	12.2
527.30066	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	527.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
54.31754	1.8
54.52006	1.6
67.05508	1.9
75.27840	1.9
79.05473	3.5
81.07065	3.3
83.04996	2.0
91.05480	8.1
93.07027	10.6
95.04956	11.1
95.08587	3.9
105.03394	100.0
105.04459	3.1
105.07021	16.8
107.08604	8.9
107.98872	2.0
109.06532	8.3
109.10139	2.7
119.08577	3.3
121.06496	12.4
121.10102	4.8
123.08041	8.7
131.08531	2.5
133.06473	11.6
133.10130	4.2
135.08070	7.7
137.09642	8.8
141.06883	1.8
143.08580	2.5
145.10135	2.7
147.08041	3.5
149.05951	4.8
149.09653	4.0
151.07521	4.7
154.02744	1.9
155.08595	3.0
157.10098	3.9
159.08076	2.5
159.11720	2.5
160.15344	2.2
161.09581	8.1
163.07504	2.2
169.10115	2.3
171.07988	3.8
173.09630	2.1
175.07367	2.4
179.08630	3.1
183.11723	4.6
185.09605	2.8
193.10121	2.8
195.11739	7.4
197.09650	4.2
199.11111	2.5
204.94157	1.8
206.11057	3.1
207.11697	3.1
211.11205	3.6
213.12785	4.3
220.12613	2.2
221.13228	3.3
225.12825	2.6
235.14807	3.6
237.12903	3.2
239.14265	3.3
241.12434	2.2
253.15906	2.8
259.13116	2.4
263.14432	2.1
267.13754	2.3
281.15387	7.6
284.43665	1.9
299.16327	9.7
309.14880	11.0
327.15802	16.0
345.17010	17.5
527.22540	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	527.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60680	0.8
53.03953	2.4
55.05512	1.5
57.29988	1.0
59.47505	0.9
62.21514	1.0
67.05483	1.3
72.94208	1.0
77.03918	2.4
79.05506	1.7
81.03423	1.3
81.07102	1.1
85.02887	1.6
91.05477	2.3
93.07032	8.8
95.04981	8.5
95.08582	6.0
105.03391	100.0
105.04527	5.5
105.07021	6.2
107.08581	2.6
109.06506	5.3
109.10109	1.1
117.07010	1.3
119.08608	2.1
121.06506	4.7
121.10149	7.7
123.04389	2.7
123.08053	5.1
131.08514	1.5
133.06493	10.5
133.07361	1.1
133.10144	1.3
135.08107	1.3
137.09593	1.6
145.10138	2.4
147.04376	4.3
147.08054	1.3
149.05994	2.2
149.09587	5.0
151.11176	2.2
157.10135	2.2
159.08026	1.5
163.07550	1.4
171.07889	1.3
177.09061	8.0
179.10652	1.6
183.11710	1.6
185.09636	1.2
187.11128	1.2
197.09575	2.2
199.11137	1.4
207.10110	11.3
209.13307	1.9
210.10432	1.2
211.11145	1.8
213.12788	1.2
215.14384	1.2
221.13266	1.7
223.11168	2.1
224.11989	1.4
225.12662	1.5
229.12273	1.3
235.14859	1.9
236.75725	1.1
237.12794	1.2
241.12167	1.4
263.14252	1.1
265.12289	1.4
271.17010	2.3
281.15305	4.6
283.13290	2.3
309.14896	1.8
317.17502	2.5
327.15872	8.3
345.16934	28.6
390.41092	1.2
523.57288	1.2
527.22845	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	527.2489
Annotation	1-Hydroxy-2,7,9-trideacetylbaccatin I
Peak:m/z	Relative Intensity
53.03954	3.0
59.05014	1.7
65.20618	1.9
65.29612	1.7
67.05501	3.9
73.60818	1.7
79.05481	8.7
81.03424	3.4
81.07041	8.4
83.04961	2.3
83.08601	2.2
91.05484	18.4
92.22024	2.0
93.07044	34.7
95.04956	15.8
95.08600	9.1
105.03395	100.0
105.04454	3.8
105.07047	28.5
107.04955	8.3
107.08608	14.6
109.06522	12.2
109.10150	3.1
111.08085	2.6
117.06996	4.1
117.82772	1.8
119.04952	3.1
119.08579	16.9
121.06514	26.6
121.10130	19.8
123.04425	10.9
123.08046	9.7
131.08545	11.9
133.06514	21.7
133.10104	42.4
135.08078	8.7
135.11674	7.7
137.05968	8.4
137.09596	3.6
143.08554	8.0
145.06471	8.5
145.10115	22.7
147.04362	3.2
147.08046	4.6
147.11665	3.3
149.05960	18.9
149.09633	9.4
151.07495	4.2
151.11237	2.7
157.10092	8.9
159.08096	3.2
159.11780	2.5
161.05846	3.2
161.09604	14.7
163.07497	4.4
163.11134	22.0
167.07028	9.3
167.08441	2.7
169.10100	2.6
171.11638	3.9
173.09607	8.1
175.07582	3.2
177.09087	4.5
179.08609	2.4
180.09416	1.9
181.10144	4.9
183.11739	4.0
185.09584	4.5
185.13219	2.3
185.86530	2.1
186.10408	2.3
187.07614	2.9
187.11101	4.0
187.64636	2.2
191.06975	2.3
193.10173	2.7
195.11758	8.7
197.09676	4.4
197.13249	4.0
199.11217	4.6
201.12709	2.2
207.10126	9.2
209.09624	2.8
210.10275	2.2
211.11125	3.1
211.14952	2.5
215.10727	2.7
221.13246	4.8
223.11220	7.7
227.10674	3.1
227.14372	3.1
229.12137	2.5
231.13927	3.0
232.12473	3.4
235.14679	2.5
237.16344	7.7
239.10675	2.1
239.14322	2.6
241.12094	3.7
243.13770	2.5
247.14816	2.6
250.13686	2.2
251.10756	2.3
253.15767	2.3
263.14554	2.7
265.15909	9.0
267.13766	4.3
281.15393	3.8
281.88428	2.2
283.13336	3.7
283.16901	7.6
293.15305	3.4
299.16168	3.5
309.14920	4.1
311.16406	11.8
317.17441	3.4
327.15948	17.4
329.13620	1.9
329.17279	16.3
345.16971	21.5
389.19745	7.9
527.23370	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	527.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05134	13.1
54.14867	13.5
58.47384	14.9
63.86023	12.8
67.05518	17.6
69.03417	16.9
76.58521	15.7
81.03445	20.9
81.07063	21.7
91.05450	29.7
93.07063	62.8
95.04964	32.5
95.08591	60.7
101.01789	15.4
105.07047	70.0
107.04978	27.1
107.08577	75.1
108.84850	14.9
109.06497	35.9
111.04408	18.9
119.08592	54.2
121.06525	38.7
121.10108	21.7
123.08087	57.8
131.08492	16.6
133.06456	88.9
133.10144	87.6
135.08076	36.7
136.50319	16.9
137.05940	95.6
137.09567	21.6
139.62904	16.7
140.30008	15.2
143.08543	24.6
145.06506	19.0
145.10127	66.8
147.08046	26.3
149.05911	33.8
149.09645	24.4
151.07527	26.7
157.10146	29.5
159.07967	23.8
161.09589	66.4
163.07510	35.3
164.07825	18.3
165.05492	17.2
165.06876	19.0
171.11581	17.7
173.09566	23.5
189.12720	17.6
193.10130	19.4
194.10904	20.7
195.11728	74.3
197.13293	19.2
199.11250	27.0
203.06870	17.3
211.11136	25.2
217.10080	19.1
223.11159	21.3
223.15050	17.9
232.12425	22.8
237.16319	18.9
265.15790	55.4
269.15338	17.3
283.16873	27.8
293.15341	28.0
311.16431	35.5
329.17505	92.2
371.18420	20.8
407.20517	23.5
411.19888	17.0
474.96341	17.5
527.24500	100.0
549.48889	16.0
549.59491	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	527.249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52348	6.7
63.74941	7.2
65.41543	6.7
67.83538	7.2
69.03427	9.5
81.03389	8.1
81.07040	13.6
93.07037	17.1
95.08585	16.0
100.40451	8.7
105.07031	39.0
107.04967	16.1
107.08559	9.0
109.06510	13.0
117.07006	10.1
119.08576	11.9
121.06471	16.5
121.10117	16.1
123.08087	14.1
131.08559	11.3
133.06482	36.8
133.10139	37.1
135.08060	9.0
137.05948	14.3
137.09579	9.5
145.10120	30.4
147.08025	12.6
149.05983	12.0
155.08542	52.2
157.10107	33.3
159.08032	35.1
159.80280	8.4
161.05916	9.3
161.09622	37.4
163.07555	10.1
167.08575	13.0
169.10095	41.4
171.08014	9.6
171.11664	14.6
173.09567	11.6
179.08578	13.5
180.09427	8.6
181.10120	68.1
182.10847	13.8
183.08174	13.7
183.11685	40.5
185.09694	8.5
186.76016	8.4
192.09285	29.4
193.10165	13.9
194.11752	10.3
195.11729	51.3
196.09033	7.9
197.09676	39.1
197.13275	58.5
199.11145	40.9
207.11690	54.5
208.12595	11.1
209.09648	58.1
210.10382	29.5
211.11179	42.9
220.08908	13.0
221.13242	11.1
223.11195	49.7
225.09094	12.4
225.12766	84.6
227.10684	39.8
235.11237	18.5
237.12665	10.1
237.16374	15.6
241.16138	9.5
243.00656	8.7
247.14749	8.3
249.12717	9.1
251.14326	13.1
253.12245	100.0
265.15915	32.0
269.15280	10.2
271.13348	62.0
278.13156	8.8
283.16888	31.5
293.15347	38.5
311.16312	88.1
329.17365	33.9
331.15613	26.9
333.97958	8.2
371.18634	33.8
389.19717	12.0
527.25641	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	527.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71552	7.1
61.24641	7.3
69.03410	10.0
69.56162	7.9
91.05442	18.1
93.07021	32.0
95.04983	11.8
95.08588	9.8
101.31361	9.4
105.07027	45.6
107.04951	32.2
107.08613	9.0
109.06475	12.2
119.08562	14.1
121.06490	17.0
123.04372	12.1
123.08089	8.5
131.08554	11.2
133.06500	50.9
133.10114	31.0
137.05969	9.1
145.06445	9.9
145.10133	37.8
147.04439	10.4
149.05981	12.0
155.08559	28.8
157.10123	14.0
161.09637	15.8
168.09235	10.9
169.10147	31.8
171.08043	11.1
171.11719	16.2
173.09596	17.6
177.09111	8.9
181.10127	40.8
182.11026	13.7
183.08060	14.5
183.11716	35.6
185.09595	8.5
189.09024	9.7
192.09323	41.1
193.10146	28.4
195.08073	9.8
195.11739	42.6
197.09608	34.3
197.13278	48.2
199.11168	35.0
201.09306	12.2
203.10611	10.3
207.11679	64.4
209.09633	47.7
209.13264	10.4
210.10434	15.8
211.11220	30.8
212.01424	7.8
213.12769	11.9
213.74898	7.7
220.08815	11.4
221.13406	9.8
223.11209	14.0
224.15840	7.7
225.12791	47.4
227.10707	16.5
232.12468	10.9
235.11221	32.6
237.16136	11.5
239.14474	10.6
241.12192	8.8
245.36197	8.5
251.14101	8.8
253.12262	100.0
265.15823	13.4
266.58044	7.5
267.13821	13.1
271.13293	83.7
277.06326	11.3
293.15298	31.8
311.16330	36.0
313.14352	41.5
329.17413	41.1
371.18616	8.7
389.19461	16.1
426.75977	9.5
527.31360	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	527.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46226	0.5
54.92831	0.6
62.74051	0.6
67.05486	1.1
76.55080	0.7
79.05509	0.9
81.07046	2.8
83.01103	3.5
88.21439	0.6
91.05479	5.5
93.07031	6.0
95.04955	4.1
95.08601	3.1
101.21595	0.6
102.92654	0.6
105.07010	5.8
107.08587	5.9
109.10159	1.3
117.07027	4.0
119.08569	13.4
121.10146	3.6
123.32569	0.6
130.07784	1.2
131.08562	3.2
133.10118	22.7
135.08067	2.3
135.11710	0.9
137.09569	0.8
143.08566	2.6
145.10126	13.2
147.11707	6.2
157.10109	3.4
159.11678	3.6
161.09560	1.1
163.11165	3.8
169.10126	1.3
171.10359	0.7
171.11642	4.3
173.13254	1.5
181.10100	1.5
183.11752	1.4
185.13275	2.4
194.10997	0.9
195.11729	3.1
197.13232	2.7
209.13211	5.1
223.14830	3.5
237.16405	1.1
250.17197	0.8
265.19531	3.2
347.19760	6.1
365.20892	1.3
407.21661	4.4
467.23950	3.9
527.26135	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	527.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34812	1.3
56.86047	1.6
60.45382	1.3
67.12388	1.5
81.07060	3.0
83.01096	2.6
86.09720	2.5
91.05493	2.0
92.18548	2.9
93.07040	7.8
95.04953	3.3
95.08622	3.0
104.10742	10.1
105.07014	3.8
107.08590	6.9
109.10145	2.0
109.87289	1.8
117.07018	2.0
119.08559	9.5
121.10133	3.0
129.20625	1.8
131.08556	2.5
133.10132	30.9
145.10141	17.1
147.11700	3.7
157.10094	2.2
159.94537	1.7
163.11195	2.9
171.11711	6.5
183.11676	1.7
184.07326	15.8
195.11642	2.0
209.13208	3.3
223.14919	2.2
270.31738	1.8
347.19513	2.3
365.21075	2.0
405.48566	1.6
407.21951	3.1
439.09607	1.9
467.24130	3.1
510.31943	3.1
527.26141	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	527.298
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
53.62191	1.0
57.07084	1.6
62.31209	1.2
81.07085	1.4
91.05472	2.2
93.07027	3.2
97.06474	1.5
105.07016	2.0
107.08602	2.1
119.08572	2.3
121.10126	2.2
135.08087	2.5
141.05202	1.4
143.08569	2.8
157.10075	2.0
159.11594	1.5
183.11729	1.7
185.13408	1.4
271.54813	1.3
305.18646	5.1
349.17712	8.2
365.21094	1.9
407.25549	8.5
409.19821	5.5
425.26514	3.1
467.28400	3.9
502.41086	1.3
527.29315	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	527.298
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
56.55494	0.7
67.05491	0.8
71.04987	1.3
75.27021	0.6
79.05483	0.8
81.03388	0.6
81.07072	0.8
91.05486	2.6
92.66428	0.7
93.07034	6.2
95.04969	6.1
95.08586	1.7
97.56768	0.6
104.00068	0.7
105.07030	3.9
107.04922	0.8
107.08601	9.1
109.10164	1.5
117.07011	1.0
119.08546	7.7
121.10159	4.6
124.87828	0.7
125.05690	1.1
133.10123	20.5
135.08037	6.8
135.11661	0.8
145.10129	6.3
147.11662	5.3
159.11673	1.0
163.11211	1.3
199.10921	1.1
232.05974	0.7
305.18683	1.0
365.20761	1.1
407.25665	5.6
467.27701	1.3
522.60944	0.7
527.29785	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	527.2983
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
55.99753	1.3
56.99694	1.3
58.94744	1.3
60.38345	1.4
67.05500	1.8
73.75117	1.6
81.07025	2.0
87.36012	1.3
88.06828	1.3
89.07011	2.0
93.07031	2.6
104.90195	1.6
105.07028	2.7
145.73418	1.5
147.11752	1.9
221.45505	1.7
247.13072	6.8
292.86298	1.8
326.35089	1.7
356.06476	1.5
499.62256	1.7
527.29724	100.0
527.36774	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	528.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
53.46225	6.4
56.77605	6.9
57.03440	7.7
57.07064	5.6
57.40286	5.5
67.05508	8.1
69.03400	11.1
76.02230	13.9
79.05489	12.6
81.03420	9.8
81.07066	14.4
88.03967	7.7
91.05452	14.3
93.07039	27.5
95.04934	26.3
95.08577	27.4
105.07014	13.6
106.02892	7.5
107.04957	30.3
107.08576	30.2
109.02857	14.5
109.06541	9.2
109.10158	15.4
111.04438	29.8
117.06987	6.7
119.08574	14.4
121.06514	10.9
121.10094	17.3
122.02725	87.0
124.03963	13.4
131.04916	15.2
131.08578	34.3
132.01160	15.7
133.10133	31.9
135.08026	13.0
135.11653	9.4
137.05983	31.8
137.09605	11.8
143.08549	9.8
145.06422	7.7
145.10155	15.8
149.05943	13.5
149.09621	30.6
151.07497	15.4
155.08481	9.4
159.08083	9.0
159.11652	12.5
159.59464	7.4
161.05998	28.9
161.09602	30.3
163.07524	54.0
163.11205	10.5
165.09132	7.8
169.10069	6.9
171.08012	11.2
175.11131	10.5
177.09079	9.1
180.10114	8.2
181.10062	7.5
185.09621	15.9
185.13268	9.9
187.11128	12.9
189.09038	27.9
195.07874	9.2
197.09535	10.0
197.13222	11.6
202.05101	7.6
203.10741	11.8
207.11746	9.8
209.09702	12.1
213.09029	9.1
213.12671	9.9
226.62224	7.0
237.09363	9.3
245.06169	8.6
265.15860	27.1
293.15277	27.0
301.11752	9.9
311.12912	7.7
311.16412	34.2
329.17233	17.3
331.15332	15.6
343.13583	14.5
361.14746	32.4
414.17377	29.1
432.18323	100.0
450.19467	88.9
468.20358	88.2
487.08081	28.7
528.22919	89.0
540.94373	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	528.244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11180	0.3
69.03434	0.5
81.65308	0.3
85.02901	4.2
88.45184	0.3
92.18700	0.3
97.02856	0.4
120.81654	0.3
122.03640	0.4
124.64915	0.4
127.03940	0.5
131.04942	0.4
137.05975	100.0
151.03958	0.4
151.07611	0.6
163.07513	1.7
181.08582	15.3
205.84314	0.3
271.13693	0.3
324.18427	0.4
338.13870	0.4
349.16400	2.8
376.14941	0.4
478.94510	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	528.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61533	2.9
57.03430	15.3
58.48950	3.2
66.22679	2.7
69.03426	6.4
73.02917	28.2
85.02924	7.7
91.05469	7.9
95.52089	3.7
97.02883	3.9
99.31067	3.1
103.05466	4.4
107.04936	24.1
115.03934	4.4
119.04912	3.4
121.06474	4.1
123.28966	3.4
129.70679	3.1
131.04935	44.9
133.04869	4.3
137.05984	100.0
147.04410	8.4
149.06007	5.6
151.07562	41.9
161.05946	40.6
161.09685	4.8
163.07539	96.9
175.07564	16.1
177.05493	4.2
177.09055	28.6
180.10167	8.5
181.08597	4.2
189.09073	40.7
191.06926	3.5
195.10164	4.3
203.72256	3.9
207.10167	47.7
217.08459	3.9
219.10220	7.2
221.11710	5.9
223.07407	3.8
227.10803	4.9
251.03957	3.8
253.12410	3.5
255.10052	13.2
285.11075	5.7
287.13315	8.4
293.10214	4.1
297.11169	4.8
300.74353	3.8
311.12878	26.0
313.14349	5.2
317.11319	17.7
331.15375	94.3
331.19061	5.8
343.15259	5.1
361.16699	3.7
528.19507	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	528.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78071	3.8
54.81076	4.0
59.62702	4.1
77.51083	3.8
79.05495	7.1
81.03400	4.8
91.05481	6.8
93.07012	5.8
95.04978	9.1
100.50668	4.4
102.24043	4.0
105.07026	10.6
107.04974	50.2
107.08601	5.7
108.39725	4.0
109.14716	4.1
119.08518	4.9
123.08046	5.7
133.28371	4.6
134.09639	4.3
135.08072	8.0
145.10065	5.4
149.09560	5.4
157.10115	6.2
159.07999	5.6
161.09679	6.2
169.10095	4.7
171.11696	5.0
175.07594	7.1
177.09151	5.2
180.10197	5.9
183.11708	8.7
187.11197	7.6
194.11800	34.5
195.11801	7.4
197.13278	5.9
201.13043	4.9
209.09624	5.2
209.13260	6.9
211.11234	21.6
213.12811	5.9
225.12733	10.9
227.10643	9.6
227.14301	10.2
234.13683	4.1
237.12708	16.1
239.17769	5.3
249.16385	5.6
253.12263	22.1
255.13715	15.8
267.17419	22.9
271.13092	6.7
273.14835	100.0
277.15894	7.2
285.18533	18.6
295.16779	34.4
313.17905	44.4
315.15945	72.9
331.18915	31.1
355.18924	9.6
360.86658	5.1
373.20056	28.8
415.21368	20.1
433.22351	9.9
475.23303	6.1
493.24246	5.4
509.77759	5.4
528.32684	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	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
55.05519	2.9
67.05507	6.1
69.07066	4.7
79.05488	13.1
81.03415	6.7
81.07050	14.5
83.01330	15.1
83.04971	19.3
91.05469	12.9
93.07035	6.1
95.04973	21.8
95.08608	5.4
97.06495	4.5
105.07016	14.8
107.04939	14.4
107.08609	23.7
109.06493	15.6
109.10150	5.4
109.56463	3.0
111.04420	22.4
119.08573	22.0
120.08022	3.7
121.06487	19.5
121.10153	21.9
121.73978	3.0
123.02385	3.0
123.08030	11.6
123.11711	6.8
129.07033	3.4
131.08560	7.5
133.06526	6.7
133.10118	48.5
135.08020	6.4
135.11688	17.7
137.05995	12.5
137.09637	3.4
139.83368	3.4
143.08466	5.5
145.06429	5.0
145.10114	15.0
147.08032	25.3
147.11617	5.7
149.05994	5.5
149.09610	6.3
151.07568	6.3
151.11143	5.1
157.10091	16.8
159.08051	7.0
159.11687	21.3
161.05974	5.8
161.09660	11.9
161.13287	5.0
163.07527	6.8
169.10149	4.8
171.11688	25.7
173.09674	15.1
173.13260	20.6
175.07527	5.9
177.05449	3.6
181.10011	3.4
182.11060	3.6
183.11685	34.3
185.13295	7.0
187.11261	5.2
193.08540	5.4
193.10164	4.3
195.11646	4.8
197.13232	18.8
199.11208	5.1
201.12749	15.5
205.08580	4.1
205.12288	5.1
209.13319	6.4
211.11182	4.0
213.12732	6.6
215.10652	4.0
215.14267	7.2
217.12325	3.7
217.15862	4.7
223.11171	3.5
225.16507	3.7
255.13661	5.9
267.17517	4.8
271.17142	4.3
277.15826	3.8
285.18567	5.5
295.16827	26.1
313.17984	100.0
331.19070	61.5
331.88828	3.4
373.20074	14.0
391.21161	46.4
409.22165	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
64.23592	0.8
73.65100	0.9
81.07061	1.2
82.67012	0.8
83.04966	1.9
89.56538	0.9
92.18493	1.8
95.04955	1.5
105.07037	2.1
107.08610	1.0
109.06551	1.6
119.08569	1.9
121.06487	2.0
131.08502	1.0
133.06456	1.5
135.08058	1.8
145.28275	0.9
157.10144	1.6
159.08031	4.0
161.09590	2.1
165.06914	1.0
167.08572	4.1
171.08054	2.1
173.09613	2.2
178.07924	1.1
179.08635	1.4
180.09291	1.5
181.10098	10.7
183.11732	1.9
185.09564	4.0
190.59674	0.8
192.13618	0.9
193.10170	4.6
194.10915	2.0
195.11569	6.7
196.08801	1.7
197.09610	1.5
199.11185	1.5
204.09340	5.2
208.41263	0.9
209.09497	1.4
209.13264	7.3
211.11186	5.0
212.11935	1.0
213.12744	1.7
219.11653	10.4
221.09541	1.1
222.10406	10.7
225.12724	1.0
227.10732	3.8
227.14355	4.3
237.12711	52.2
249.16263	1.2
253.16000	2.0
255.13777	20.1
267.17456	3.5
271.17065	1.1
273.14865	1.6
277.15903	2.2
285.18542	1.3
295.16968	5.4
313.17978	3.5
315.15881	100.0
331.18689	1.9
355.27756	1.0
373.20187	1.1
415.21384	1.2
433.22302	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	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.9
56.92195	4.7
66.63289	4.2
66.87380	4.9
69.03417	4.7
77.80544	4.5
79.05486	20.5
81.03439	5.2
81.07066	11.6
83.01341	20.1
83.04973	8.3
91.05450	22.0
93.07018	10.1
95.04946	11.6
95.08622	8.9
99.04531	5.8
105.07024	10.3
107.04962	82.9
107.08595	8.2
108.05306	6.5
109.06525	6.9
109.10172	21.7
109.79346	5.0
111.04433	23.6
111.11388	4.9
117.07019	6.8
119.08582	13.0
121.06487	20.7
121.10123	27.3
123.11718	7.0
131.08554	10.8
133.06497	6.4
133.10104	62.2
135.04433	5.6
135.08083	19.4
135.11696	21.3
137.09637	10.3
143.08572	8.4
145.10086	5.8
147.08040	12.5
149.05972	12.6
149.09615	23.1
151.11232	5.1
152.07057	12.3
157.10101	11.5
159.11673	12.1
161.13277	5.9
163.07501	6.0
165.09198	5.6
171.11703	10.4
173.09645	6.7
173.13306	11.6
179.10826	6.5
183.11671	31.5
187.11247	7.9
189.12773	7.3
194.11787	64.4
195.11896	5.9
197.13251	11.7
201.12738	10.5
205.12224	5.9
215.14360	6.1
225.12779	8.8
285.18512	7.3
295.16913	30.4
313.17960	100.0
331.19049	55.3
373.19977	7.8
388.97690	6.7
391.20981	37.2
409.22235	31.1
528.24213	10.0
528.32758	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.7
57.03426	2.2
68.62309	2.1
69.07063	10.6
71.05070	1.8
72.58462	2.6
79.05485	3.3
79.51834	2.0
81.07065	8.3
91.05518	2.3
93.07043	8.7
95.04953	4.4
95.08598	13.2
97.10173	2.6
105.07022	9.5
106.00816	2.1
107.04962	9.8
107.08606	4.0
109.06519	9.9
109.10176	3.6
111.08109	3.3
113.09654	2.4
114.20376	2.3
117.07008	2.1
117.15862	2.3
118.65936	1.8
119.08574	14.4
121.10129	11.7
123.08070	8.5
123.11665	5.2
131.08572	10.0
133.10098	9.9
135.08038	4.2
135.11612	3.0
137.09619	4.7
139.11182	12.3
143.08556	20.4
145.06502	2.8
145.10156	10.6
147.08055	8.4
149.09581	3.9
153.09084	4.3
155.08559	9.3
156.09329	2.7
157.10201	17.2
159.08000	5.3
159.11690	4.1
161.09628	8.0
163.11185	3.1
167.08636	4.5
169.10095	15.9
171.08054	5.3
171.11685	10.0
173.09627	14.5
173.13275	4.8
181.10141	3.9
183.11723	12.0
185.09595	4.6
185.11700	8.5
187.11258	4.5
189.09091	2.2
191.10638	3.7
193.10120	3.4
194.11819	8.6
194.50182	2.1
195.11703	8.3
197.09576	8.1
197.13200	15.7
199.11127	9.4
199.14818	4.3
201.12723	2.8
202.50090	2.0
206.10728	2.3
207.11716	4.7
209.13322	10.8
211.11226	10.6
211.14818	5.0
213.12730	9.2
215.14284	4.9
221.13097	3.2
223.11238	2.1
225.12662	17.7
225.16194	2.6
227.14262	4.6
231.13853	2.8
235.14894	2.2
237.12666	4.2
239.14291	9.7
243.13815	2.9
251.14143	2.6
255.13721	9.4
265.15826	3.1
267.17514	11.3
273.14771	2.5
277.15866	2.6
281.15320	3.1
283.16946	10.9
285.18546	9.3
295.16943	10.6
299.16394	16.4
301.17935	21.5
303.19620	9.6
313.17978	25.6
331.19073	14.4
346.23154	2.2
373.20093	10.7
397.63107	2.4
433.22217	14.4
451.28665	3.4
469.29553	15.1
487.30536	100.0
493.24423	4.1
528.27814	36.0
531.19153	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	528.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37645	0.3
55.05498	0.7
55.70074	0.3
57.03437	1.1
62.24819	0.2
67.05479	1.4
67.96130	0.3
69.03410	1.7
69.07048	0.7
70.06600	0.2
70.64217	0.3
79.05475	1.1
81.07059	2.3
81.07453	0.3
83.05003	3.3
83.08623	0.4
91.05445	0.6
93.07008	1.6
95.04935	1.2
95.08588	0.6
97.06516	0.6
105.07005	3.5
107.04941	2.5
107.08569	1.7
109.06527	1.9
111.08088	0.3
117.07011	0.6
119.08583	2.1
121.06489	2.1
121.10098	0.4
123.08028	0.6
128.06111	0.3
129.06940	0.6
131.08524	1.4
133.06479	2.0
133.10071	1.2
135.04390	0.4
135.07121	0.4
135.08040	3.2
137.05931	0.3
137.09508	0.4
143.08508	1.8
145.06487	2.8
145.10130	1.2
147.08035	2.0
147.11613	0.5
148.07149	0.3
149.05972	0.4
149.09569	1.4
153.07033	0.4
155.08525	2.3
157.06421	0.3
157.10094	1.6
159.08026	2.8
159.11610	0.4
161.09593	1.8
163.03886	0.4
165.06938	1.5
166.07697	0.4
167.08566	5.4
168.09335	1.2
169.10117	3.3
171.08032	2.3
171.11693	1.5
173.05923	0.4
173.09648	2.6
173.13277	0.4
175.07489	0.5
175.11180	0.3
177.09068	0.6
178.07858	0.5
179.08533	3.5
179.10634	0.4
180.09123	0.5
180.10326	0.8
181.08493	0.4
181.10104	11.3
183.08011	1.0
183.11632	3.0
185.09566	4.4
185.13225	0.5
187.07526	0.3
187.11134	1.3
191.08528	1.1
191.10654	0.5
192.09308	0.4
193.10162	4.5
194.10799	2.9
195.08031	1.7
195.09912	0.5
195.11655	5.6
196.08826	2.1
197.09608	3.4
197.13300	0.6
198.10336	0.4
199.07643	0.3
199.11133	3.5
199.14876	0.3
201.09003	0.4
201.12729	0.5
204.09303	4.0
205.10088	0.4
207.08043	1.5
207.11662	2.9
208.08847	1.1
209.09711	2.5
209.13211	9.5
210.10500	0.3
211.11189	6.4
211.14790	0.3
212.11864	0.5
213.09067	1.7
213.12755	3.6
215.10638	1.0
217.14563	0.5
219.11664	8.9
220.12410	0.6
221.09749	0.4
222.10367	13.1
223.11180	1.0
223.14833	0.4
224.11801	0.4
225.09154	0.6
225.12733	3.3
225.16367	1.2
226.09871	1.1
227.10696	4.3
227.14230	4.8
229.12251	0.6
230.85216	0.3
235.11150	1.2
235.14703	0.6
236.11824	0.4
237.12720	54.5
239.10680	0.5
239.14304	0.6
239.18050	1.0
240.11438	1.1
241.12071	0.3
243.13812	0.6
244.12390	0.3
247.11147	0.4
249.12672	0.3
249.16335	2.0
251.14168	0.5
253.12180	1.5
253.15909	2.3
255.13773	22.7
259.14862	0.3
261.77078	0.3
262.13464	1.6
267.17371	3.6
269.15363	0.4
271.13232	1.1
271.17157	0.5
273.14816	3.8
277.15872	3.3
285.18481	1.3
287.16486	0.4
295.16910	5.4
297.14807	1.0
313.17969	5.6
315.15878	100.0
331.19070	3.8
337.17767	0.5
355.19061	1.4
373.20236	2.1
375.17899	1.5
397.19928	0.9
415.21234	2.2
433.22260	2.5
475.23114	1.2
477.84866	0.3
528.18933	0.4
528.28754	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	528.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04618	0.9
79.05492	6.8
81.07050	1.1
86.09693	0.8
91.05475	1.7
93.07048	5.5
95.04965	1.2
95.08596	1.6
105.03385	1.0
105.07043	6.0
107.04954	87.6
107.08616	1.8
109.06506	1.0
111.04433	1.0
119.08579	4.4
121.06533	4.9
121.10115	3.9
131.08643	0.9
133.10158	4.2
134.09631	2.0
134.10521	1.3
137.05988	1.0
145.10123	1.5
147.08093	1.1
149.05989	21.1
159.11716	1.1
161.09581	1.8
163.07529	0.9
163.11177	1.4
172.11990	1.0
180.10231	5.0
183.11786	1.2
185.13350	1.1
194.11763	100.0
211.11391	1.0
230.83476	0.9
295.16974	1.7
312.17004	1.1
313.18118	4.0
330.17816	1.6
331.19147	1.8
373.20181	5.4
444.22687	0.9
466.24625	1.1
480.00656	1.1
510.32562	1.3
528.33331	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65902	0.4
64.59077	0.4
74.25153	0.4
75.47818	0.4
79.05474	3.0
92.76006	0.5
93.07031	0.9
95.04948	1.9
95.08595	0.9
97.10117	0.5
105.07038	1.1
107.04950	60.3
107.08551	3.3
109.10129	0.8
119.08574	1.9
121.10163	2.5
123.11665	0.8
133.04338	0.4
133.10106	3.2
134.09660	4.1
135.11696	0.6
143.08490	0.6
145.10059	0.6
149.04836	1.0
149.05956	15.7
157.10045	0.6
171.11676	0.7
175.47729	0.5
185.13174	0.7
194.11754	100.0
195.11649	0.6
196.23763	0.5
197.13266	1.0
209.33458	0.5
211.14937	0.6
241.56596	0.5
317.21054	1.9
389.53632	0.5
510.32031	4.9
528.33246	10.0
540.08649	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	528.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67692	0.5
59.47109	0.5
61.36716	0.6
61.85340	0.5
63.71756	0.6
65.13374	0.6
67.05492	0.7
72.52558	0.6
79.05494	4.4
83.48890	0.6
86.58273	0.7
91.05461	1.0
95.05006	0.6
95.08606	0.8
105.07039	0.6
107.04952	65.8
107.08588	2.6
119.08643	1.0
121.10162	0.7
122.56439	0.6
128.30602	0.6
133.10107	1.1
134.09630	1.3
142.23584	0.7
143.08629	0.7
149.05974	18.0
194.11757	100.0
528.33417	17.1
543.21857	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	528.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49514	0.7
58.98529	0.7
70.44301	0.7
74.79488	0.8
79.05486	4.1
79.45372	0.8
92.18529	1.5
93.07036	1.0
105.03362	0.8
107.04957	57.9
107.08577	1.7
109.10143	1.0
119.08591	2.9
121.10132	3.4
123.11708	0.9
133.10098	1.2
134.09659	4.5
135.11719	1.0
145.10107	1.0
149.05988	15.8
169.10114	1.1
171.11652	0.9
194.11761	100.0
274.06961	0.8
317.21149	4.1
462.07419	0.8
464.99045	0.8
510.32352	9.8
528.33197	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	528.332
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10192	0.5
77.03926	0.6
79.05482	3.4
91.05454	0.6
95.04961	2.9
95.08590	1.1
95.18028	0.6
105.03401	7.9
105.07028	2.6
106.03733	1.2
107.04951	59.4
107.08599	3.4
109.06499	0.6
109.10157	0.7
119.08581	2.2
121.06560	0.6
121.10144	2.2
131.08510	0.6
133.10118	3.2
134.09644	3.2
135.08041	0.7
135.11707	0.9
143.08604	0.8
149.05971	16.6
157.10045	0.7
167.34964	0.6
171.06528	0.5
182.06532	0.7
183.11670	1.1
194.11758	100.0
195.11691	0.9
196.12196	0.5
197.13217	0.8
213.12486	0.6
217.60155	0.6
246.24550	0.7
300.16678	0.8
303.90524	0.7
309.14767	0.6
310.15027	0.7
317.21097	1.1
328.16263	2.8
412.06201	0.6
449.36414	0.7
510.24985	0.7
510.32001	7.0
528.33173	13.7
541.07397	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	528.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32932	0.5
74.74963	0.6
79.05484	3.6
80.71857	0.8
81.07040	0.6
92.18483	0.8
93.07040	0.9
95.04956	1.0
95.08602	0.9
98.86565	0.5
105.07035	2.8
107.04948	60.4
107.08588	3.2
109.10098	0.6
119.08562	1.2
121.10132	2.2
123.11668	1.0
133.10161	1.0
134.09663	1.4
135.11691	1.0
145.10077	0.7
149.05965	17.9
161.13106	0.6
171.11647	1.0
183.11684	0.9
185.13353	0.8
194.11752	100.0
197.13261	0.9
283.36539	0.8
317.20956	0.8
510.32117	4.0
528.33331	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	528.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13291	0.5
67.05488	0.8
79.05492	4.7
81.07073	0.7
91.05454	1.0
93.07042	2.6
95.04953	1.3
95.08591	0.8
105.03380	5.9
105.04478	0.7
105.07021	1.6
106.03718	1.3
107.04949	77.1
107.08597	1.1
119.08573	1.1
121.06509	1.0
121.10152	0.9
126.89660	0.7
131.08635	0.7
133.06505	2.5
133.10127	2.4
134.09647	2.9
145.10103	1.0
149.05974	21.1
157.10106	1.1
161.09669	0.8
163.11180	0.8
166.54497	0.7
173.13327	0.9
194.11749	100.0
327.15964	0.7
345.16541	0.7
346.17252	1.1
528.33215	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04618	0.9
79.05492	6.8
81.07050	1.1
86.09693	0.8
91.05475	1.7
93.07048	5.5
95.04965	1.2
95.08596	1.6
105.03385	1.0
105.07043	6.0
107.04954	87.6
107.08616	1.8
109.06506	1.0
111.04433	1.0
119.08579	4.4
121.06533	4.9
121.10115	3.9
131.08643	0.9
133.10158	4.2
134.09631	2.0
134.10521	1.3
137.05988	1.0
145.10123	1.5
147.08093	1.1
149.05989	21.1
159.11716	1.1
161.09581	1.8
163.07529	0.9
163.11177	1.4
172.11990	1.0
180.10231	5.0
183.11786	1.2
185.13350	1.1
194.11763	100.0
211.11391	1.0
230.83476	0.9
295.16974	1.7
312.17004	1.1
313.18118	4.0
330.17816	1.6
331.19147	1.8
373.20181	5.4
444.22687	0.9
466.24625	1.1
480.00656	1.1
510.32562	1.3
528.33331	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1683
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
50.11087	0.5
73.30862	0.7
76.54668	0.6
92.17849	0.9
100.42731	0.6
101.40536	0.5
167.77628	0.7
179.06976	1.0
219.43449	0.6
397.12674	5.5
406.85147	0.7
529.16785	100.0
549.29620	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	529.2411
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
53.01395	0.4
59.61473	0.4
64.30721	0.3
67.05482	0.5
79.05486	0.4
81.07044	0.9
83.01080	0.9
83.19109	0.5
85.61880	0.4
91.05452	1.7
93.07035	4.8
95.08603	1.6
97.06498	0.5
105.07032	0.4
107.98963	0.4
109.06505	1.6
111.08057	1.7
117.07008	0.5
119.08554	6.7
121.06480	2.2
121.10139	0.7
123.04396	0.6
123.08024	1.7
129.06999	1.5
133.10114	4.3
135.08049	0.6
137.05956	0.5
137.09587	1.9
139.07574	0.4
143.08556	0.8
145.06496	4.1
145.10094	2.6
147.08034	7.8
147.11659	0.9
155.08522	0.6
157.10115	2.0
159.11694	4.2
161.09622	0.4
163.07494	0.8
165.09088	7.1
169.10094	2.0
171.11693	3.0
171.12970	0.4
173.13235	0.9
183.11693	2.7
191.06845	0.7
196.12331	0.5
197.13255	2.8
199.14932	0.6
201.12663	0.5
205.08583	0.6
207.11694	0.9
209.13182	0.5
211.11209	0.6
211.14830	1.9
219.11797	0.5
221.13300	0.4
223.14766	0.9
225.12741	1.6
225.16336	0.8
234.13966	2.9
239.14299	0.9
239.17923	4.4
249.16350	2.7
267.17380	6.8
267.21509	0.4
285.18506	0.5
349.17676	7.5
367.18860	0.7
370.83884	0.4
409.19824	14.5
463.49683	0.4
463.99780	0.4
469.21982	9.1
529.24036	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	529.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	1.7
66.66454	1.6
67.05505	1.7
67.84112	1.5
71.24236	1.6
77.03928	2.5
78.92629	1.6
80.45326	1.7
81.07071	2.9
91.05486	2.2
92.17891	3.6
93.07032	4.1
95.04960	15.3
95.08614	2.9
105.03396	100.0
105.07048	8.8
107.04961	2.3
107.08584	8.6
108.82905	1.7
109.06491	4.1
109.10153	2.5
119.08589	6.8
121.06478	7.3
121.10168	3.5
123.08061	8.1
131.08539	3.1
133.06467	8.5
133.10126	6.5
135.11671	2.2
137.09560	3.2
143.08554	12.5
145.10092	7.5
147.07977	1.9
149.09625	3.0
151.07523	1.8
151.11108	1.8
155.08546	3.6
157.10133	8.6
159.07994	3.2
161.09613	6.7
165.09029	2.1
167.08623	2.0
169.10109	6.6
171.11687	4.0
173.09587	3.6
173.13324	1.9
175.07523	2.2
179.08534	1.8
179.10638	1.6
181.10074	3.3
183.11655	2.9
185.09636	6.6
185.13286	7.2
187.07530	1.9
187.11166	2.0
189.09006	1.9
191.10612	2.0
193.10176	2.1
194.10811	1.8
195.11749	9.9
197.13260	3.2
199.11217	7.1
206.10968	1.6
207.11632	2.1
209.09694	2.7
209.13281	3.4
211.11107	3.0
211.14996	1.8
213.12762	8.2
221.13286	2.5
223.11093	3.0
223.14734	3.3
225.12793	3.7
227.10669	1.9
237.12808	2.1
239.14325	2.6
241.15797	2.2
251.14357	2.4
253.12531	2.3
255.13696	1.6
255.17424	2.7
265.16040	3.3
267.13834	3.4
269.15433	3.7
271.13373	1.9
283.16840	2.8
285.14859	1.9
287.16434	18.5
293.15384	7.5
311.16370	16.8
328.88031	1.9
329.17340	9.9
347.18552	51.8
348.66379	1.6
350.84232	1.7
385.21902	1.8
391.26813	1.7
427.56824	1.8
529.24353	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51554	1.7
59.69828	1.6
60.97694	1.6
69.03429	1.9
81.03437	2.5
81.07036	3.0
83.05023	2.2
91.05487	2.4
93.07028	4.8
95.04980	15.3
95.08599	2.1
97.06528	8.9
105.03399	100.0
105.04467	2.6
105.07053	7.8
107.04958	2.4
109.06518	2.9
117.07046	2.5
119.08614	4.4
121.06473	3.2
123.08047	4.3
131.08572	4.2
133.10182	3.0
137.09650	2.5
137.26300	2.2
143.08568	11.0
145.10112	8.5
147.08046	9.8
149.05975	2.3
155.08511	3.6
157.10143	11.3
159.08060	12.0
161.09604	10.1
167.08568	4.5
169.10095	7.9
170.10641	2.1
171.08054	4.4
171.11678	7.1
173.09595	13.3
173.13213	2.3
175.07664	1.8
175.11214	2.3
177.09117	3.4
181.10144	10.6
183.11696	4.2
185.09634	10.1
185.13275	2.1
187.11168	11.0
189.09033	2.3
191.10683	2.4
193.10165	6.8
194.10872	2.1
195.08051	2.4
195.11690	8.4
197.09674	10.6
197.13295	11.1
199.11177	4.6
201.09079	3.4
201.12515	2.1
203.10695	7.8
207.11671	10.0
208.12581	3.5
209.09608	7.8
209.13274	13.5
210.13614	1.9
211.11240	2.5
211.14742	2.9
213.09114	4.0
213.12788	8.7
215.10716	13.7
215.14255	3.1
221.13332	4.5
223.14787	11.5
225.12685	11.2
226.13255	2.5
227.10712	3.9
227.14307	2.7
231.10165	10.4
236.11888	3.3
239.14287	10.7
241.15903	3.9
243.13931	3.2
251.14311	19.6
253.12195	2.4
257.15506	2.3
265.15964	4.5
269.15381	11.6
283.17038	4.3
287.16498	9.1
291.12320	11.5
293.15262	8.4
311.16345	19.9
314.18353	4.3
329.17392	12.3
347.18594	3.0
371.18491	8.8
377.05832	2.3
389.19611	16.0
407.20737	4.8
434.22339	2.0
446.70016	2.0
480.41272	2.0
485.21771	23.3
488.30951	8.7
502.22632	2.0
511.56171	2.1
529.23401	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52930	4.5
54.09456	5.9
57.57557	5.4
81.03419	7.7
81.07047	6.7
84.64703	5.7
93.07037	38.6
95.04961	12.5
95.08604	9.6
97.06515	7.1
105.03392	100.0
105.07021	38.4
107.08580	7.4
109.06515	8.9
119.08583	10.9
120.92599	5.9
121.06484	38.9
121.10172	9.0
123.08022	7.6
133.06531	44.3
133.10153	44.1
143.08559	35.2
145.06465	11.6
145.10144	39.4
147.08118	9.0
147.19327	7.1
149.05992	38.1
149.09612	7.1
151.07539	6.7
155.08530	14.0
157.10092	34.0
161.09595	41.0
163.11172	29.7
169.10103	30.4
171.08073	11.9
171.11655	14.0
173.09628	26.4
173.32744	6.8
177.09198	9.0
179.08673	8.9
181.10120	14.7
182.10869	9.4
183.08113	7.8
183.11716	37.0
185.09584	23.4
187.11212	7.2
191.07083	7.6
192.09361	13.1
193.10170	13.7
194.11002	11.0
195.11711	27.8
197.09673	14.2
197.13271	38.7
199.11179	38.2
201.09048	7.6
207.11708	49.7
209.09631	13.1
209.13280	13.9
210.10567	13.1
211.11179	32.2
217.10242	8.2
221.13130	6.3
223.11076	9.1
223.14761	10.7
225.12752	52.6
227.10693	12.6
232.12537	7.9
235.11136	11.9
235.14780	7.7
237.16353	8.3
241.12228	7.8
243.13802	9.5
251.14304	8.1
253.12277	87.7
265.15808	27.9
267.13815	28.5
269.15549	7.2
271.13333	50.8
282.95056	6.1
283.16776	20.7
289.76349	8.3
293.15411	31.7
311.16507	42.4
329.17514	49.1
331.15396	29.8
347.18610	9.1
371.18387	23.4
389.19632	13.6
505.50180	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	529.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35835	3.5
50.61061	3.5
79.05489	6.0
81.07050	9.0
83.04977	5.3
84.26958	3.6
91.05479	6.2
93.07024	22.6
95.04955	21.0
95.08596	7.0
96.08097	4.9
105.03393	100.0
105.04502	5.8
105.07040	35.9
107.08611	16.2
109.06528	7.1
119.08535	7.9
121.06482	41.9
121.10139	6.1
123.08047	20.1
131.08548	6.5
133.06490	33.6
133.10118	23.1
135.08060	19.6
137.09537	13.6
143.08557	21.4
145.06509	6.9
145.10124	21.1
147.08043	8.4
149.05943	36.1
149.09619	17.1
151.00151	4.3
151.07535	15.8
151.11200	4.9
155.08574	15.3
157.10115	15.6
159.08034	14.6
159.11591	3.9
161.09627	31.3
163.07516	3.6
163.11168	6.2
167.08566	7.2
169.10088	9.4
169.18771	3.4
171.08025	7.2
171.11783	13.3
173.09601	21.4
175.07704	4.7
177.09113	6.0
177.53441	4.6
179.10664	6.2
181.10101	16.6
183.11661	17.0
185.09700	18.3
187.07510	3.9
187.11241	7.2
189.09087	7.5
191.10652	4.5
193.10030	5.1
195.08034	7.4
195.11676	18.4
196.08890	4.7
197.09634	16.7
197.13271	16.4
199.11255	19.0
204.57419	4.2
207.11678	19.5
207.81801	3.8
207.98039	3.9
209.09578	7.2
209.13216	8.2
211.07509	7.2
211.11185	17.4
213.09198	6.5
213.12692	5.1
215.10754	7.6
221.13213	7.6
223.11182	16.4
223.14795	8.6
225.12715	24.1
227.10629	8.4
229.08652	4.7
229.12161	6.3
235.11082	7.8
239.14276	6.2
241.12228	7.2
241.15982	5.9
243.13742	6.8
247.14702	7.5
249.12657	5.4
251.14354	7.3
253.12343	13.8
255.13731	4.4
255.17587	4.7
265.15872	18.3
267.13861	6.1
271.13272	22.7
275.14108	6.7
281.15399	3.8
283.16919	26.2
289.14264	9.7
293.15375	26.8
293.68445	5.0
311.16367	66.2
329.17508	63.0
371.18686	6.7
389.19534	15.9
407.20587	17.8
451.21219	17.1
528.85547	5.6
529.24335	18.5
529.36200	28.8
538.14063	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	529.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13380	2.5
79.05501	5.1
81.03410	4.2
83.04956	4.0
85.59074	2.8
91.05467	5.4
93.07023	16.0
95.04954	16.9
95.08599	6.1
97.02872	3.8
97.06499	4.1
105.03394	85.0
105.04468	3.6
105.07020	25.7
107.08593	6.3
109.06540	6.1
109.10152	3.6
111.04422	3.2
113.36658	2.7
119.08556	11.6
121.06503	28.7
121.10148	6.4
123.08058	15.6
125.06011	3.8
125.09561	3.0
133.06477	13.4
133.10164	35.2
135.04396	3.3
135.08043	5.6
135.11639	10.3
137.06013	4.8
137.09543	4.2
142.07715	3.4
143.08557	13.8
145.06453	3.7
145.10162	14.2
147.08096	5.3
149.05965	11.9
149.09659	3.7
151.07579	6.2
151.11182	4.9
155.08487	3.9
156.09357	3.6
157.10146	17.6
159.08049	11.2
159.11653	3.9
161.09570	32.5
163.11151	6.6
166.07684	3.7
167.06946	3.1
169.10092	3.5
171.08028	6.6
171.11668	41.7
173.09637	6.0
175.07568	3.6
177.05432	6.5
179.10579	2.8
181.10135	12.0
183.11678	14.4
185.09627	12.9
185.13220	3.9
187.11191	5.0
195.11714	17.3
197.09770	5.2
197.13234	4.9
199.11244	19.8
207.11688	6.0
209.09601	5.3
211.11162	5.9
213.09169	4.4
213.12746	5.5
215.14246	6.0
221.13280	12.0
222.14029	4.2
223.11189	14.8
223.14796	5.9
225.12758	15.0
227.10634	15.9
227.14180	5.4
231.13766	4.4
232.12433	5.7
233.13383	4.2
235.11172	3.5
236.11993	3.5
237.01256	2.8
237.12674	3.9
237.16310	7.1
239.14273	12.6
241.15768	3.3
247.14847	12.7
251.14351	12.6
257.15344	4.4
265.15897	17.6
269.15329	5.2
275.14325	6.3
279.69653	3.2
283.16931	17.1
285.14917	4.3
293.15219	27.7
301.17889	3.2
311.16415	45.3
328.80112	3.5
329.17496	24.1
347.18582	3.5
365.19556	3.5
371.18692	13.9
389.19537	100.0
407.20590	17.0
493.22202	4.1
529.23981	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2431
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
52.44342	1.7
54.86499	2.0
56.81243	1.9
71.64607	1.9
88.15047	1.9
93.07017	2.8
95.04950	8.0
105.03389	100.0
105.04469	3.1
105.07047	9.4
107.04990	3.2
107.08544	4.5
119.08560	4.0
121.06518	8.1
123.08056	9.1
126.09146	2.3
131.08571	9.6
133.06531	3.9
135.07974	2.6
137.09564	3.4
143.08543	10.2
145.10109	4.8
147.08061	3.6
149.05975	9.4
151.07513	3.0
155.08537	2.2
157.10149	3.6
159.68457	2.1
161.09610	12.6
163.11153	9.0
169.10117	4.4
171.11664	3.2
173.09557	4.1
178.14694	2.5
181.10149	4.3
183.11635	2.5
195.11792	4.5
197.13290	4.5
207.11746	2.4
209.09529	3.2
209.13170	2.5
211.01131	2.2
213.12665	2.9
221.13214	4.1
223.11203	3.3
225.12585	4.8
227.10649	3.7
235.11131	2.8
241.12201	3.2
251.14189	2.8
253.12143	3.3
260.12241	2.8
265.15845	3.9
267.13724	3.7
269.15311	4.3
283.16919	4.2
285.14746	10.7
293.15472	4.9
311.16327	8.8
319.74887	2.3
329.17459	10.4
345.17157	8.2
389.19519	4.3
415.85809	2.8
511.23083	4.7
529.24182	72.2
529.31171	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	529.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71142	4.3
56.19319	4.6
59.92337	4.2
67.05510	6.0
67.37019	4.7
69.03412	5.7
69.07056	5.5
86.50740	5.1
93.07047	11.8
95.04954	6.4
101.97494	5.0
105.03394	100.0
105.07017	25.5
107.08591	7.4
109.06496	6.6
119.08540	6.4
121.06460	8.5
123.08047	7.9
131.08577	11.3
131.10909	5.3
131.11919	6.8
133.06496	10.5
133.10104	7.5
135.07959	5.7
137.05939	5.8
143.08533	6.9
145.10175	9.5
147.08020	5.5
149.05946	6.3
155.08571	17.7
159.08017	6.3
161.09651	9.5
169.10132	11.4
173.09583	7.5
177.09114	5.7
181.10139	20.6
183.11678	9.7
185.09573	8.7
185.13301	5.6
187.11276	9.0
189.31244	5.0
192.09364	5.9
195.11707	21.8
197.13284	23.4
199.11212	8.5
207.11621	23.5
210.10483	8.4
211.07521	5.6
211.11134	32.3
213.12697	9.1
223.11171	9.0
225.12740	30.2
225.59343	5.4
226.13547	9.6
227.10541	8.0
235.11128	6.4
239.14247	5.7
241.12280	6.7
246.81587	5.4
253.12251	32.9
265.15878	12.4
267.13715	8.0
271.13153	54.9
283.16812	12.2
285.14841	21.8
289.14426	11.0
293.15332	12.7
305.17123	6.9
311.16318	34.9
329.17422	46.8
331.15216	6.4
333.71082	5.8
345.16965	42.5
451.21155	12.7
467.20831	9.1
474.47617	5.4
559.09039	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	529.2438
Annotation	Satratoxin H
Peak:m/z	Relative Intensity
53.94714	4.1
55.73698	4.0
56.91696	5.4
74.61490	5.1
79.05480	6.1
81.07053	6.4
83.04967	6.0
91.05428	5.6
93.07037	31.6
95.04964	18.7
95.08620	5.6
105.03387	100.0
105.04476	4.9
105.07018	27.6
107.08627	6.8
109.06493	8.9
111.22578	4.7
119.08555	9.8
121.06517	33.0
121.10160	16.4
123.04414	5.8
123.08076	8.1
131.08574	5.6
133.06470	38.9
133.10121	26.2
135.08101	6.2
135.11728	6.3
137.06001	5.7
141.06964	5.0
143.08565	18.2
145.10103	23.5
147.04382	5.3
147.08008	4.7
149.05991	24.6
149.09599	6.4
151.07498	10.7
155.08537	22.5
156.07446	4.6
157.10091	11.0
159.08026	10.0
160.08836	7.5
161.09563	6.6
163.11180	9.8
167.08545	8.6
168.09363	4.6
169.10161	6.7
171.08067	8.5
171.11670	16.8
173.09639	10.7
175.51237	4.4
180.09398	5.2
181.10017	16.4
182.10966	5.4
183.08034	7.4
183.11630	24.2
185.09608	9.4
190.88892	4.6
192.09320	7.2
193.10132	7.4
195.11716	7.2
197.09590	10.3
197.13263	35.6
199.11185	19.3
201.12721	5.1
206.11018	5.6
207.11665	32.9
209.09608	10.7
209.13202	6.2
209.17624	5.3
210.10461	17.1
211.07602	6.1
211.11227	19.1
213.12831	8.2
221.13225	6.6
223.11168	21.6
223.14636	7.9
225.12669	48.8
226.13564	5.3
227.10704	8.2
229.12282	9.0
235.11194	17.1
237.12724	5.5
237.16434	7.2
239.14279	5.2
247.14810	8.3
253.12224	74.4
265.15854	21.6
267.13815	17.6
271.13290	59.6
283.16876	18.3
285.14938	7.2
289.14575	5.4
293.15399	19.7
311.16309	47.2
329.17352	61.4
331.15372	18.9
345.16907	8.2
347.18558	7.2
357.85779	5.3
371.18420	7.3
389.19479	6.9
439.90927	4.9
451.20959	11.1
486.46194	4.8
529.23822	19.9
548.94110	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	529.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26715	3.3
54.14780	3.1
54.32708	2.9
62.33823	3.2
77.56393	3.5
95.04974	4.0
96.90797	4.0
101.71127	3.7
105.03392	54.0
105.06995	5.4
112.42005	3.4
113.90066	4.2
119.08623	3.7
123.08062	3.6
143.08482	5.1
155.08530	6.7
159.07983	4.1
163.11185	5.8
169.10072	6.1
173.09641	5.3
177.09088	6.3
179.08557	3.5
185.09593	5.8
195.11697	4.8
197.09627	5.5
197.13208	7.7
207.11707	8.7
209.09615	3.8
211.11179	8.0
213.12790	6.5
221.13371	4.9
221.16284	4.1
223.14709	4.9
225.12704	7.8
226.13461	47.8
227.14427	4.2
229.12335	4.7
239.14305	5.3
241.12170	21.3
243.13817	5.7
251.14246	6.0
257.15332	4.3
259.13278	5.4
259.32227	4.0
267.13925	3.9
271.13397	7.6
285.14813	64.0
287.16379	7.3
303.15820	7.6
305.17456	22.6
329.17526	5.6
345.16937	100.0
347.18549	15.1
351.15735	13.9
389.19302	5.8
430.59198	3.5
436.94775	3.8
461.35599	4.0
467.20569	24.5
529.24127	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2564
Annotation	CHEBI:67286
Peak:m/z	Relative Intensity
57.07087	2.8
57.86140	2.5
58.68341	2.3
78.19996	3.0
83.18585	2.9
123.54430	2.7
131.21887	2.8
196.41917	2.6
288.38150	2.9
309.50409	3.5
321.18210	4.5
342.86606	2.7
343.88522	3.2
381.20581	3.2
529.25586	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	529.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34035	0.8
60.11702	0.9
71.05152	1.2
78.15625	1.0
93.07025	2.1
95.08614	1.6
107.08609	2.5
119.08575	1.5
121.10081	2.0
127.03667	24.7
133.10118	1.7
143.08521	2.3
157.10133	1.4
209.13434	1.1
305.18866	4.5
307.83032	1.2
365.20786	2.3
383.21735	1.6
409.23486	14.5
427.24686	4.2
469.25659	8.0
529.27698	100.0
543.77551	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	529.2777
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
51.10984	0.4
57.07067	2.0
67.05487	0.5
69.47772	0.5
70.63528	0.5
83.01125	0.4
105.06989	0.6
109.10156	0.6
119.08680	0.6
121.06473	0.6
133.10123	5.0
135.08009	0.7
145.06499	2.0
147.08043	3.7
148.59590	0.5
163.07545	1.2
175.07419	0.6
207.90356	0.5
285.18442	0.7
301.78049	0.6
325.17844	0.9
367.18781	6.0
385.20016	3.3
400.96924	0.6
469.25668	18.4
529.27734	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	529.2775
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
50.78025	1.1
53.78154	1.3
92.18517	2.6
95.04985	2.2
104.18822	1.3
119.08574	3.0
121.06506	2.1
132.36234	1.3
135.08025	1.9
137.09612	10.5
141.05179	1.7
149.09610	3.0
151.11180	1.7
171.07980	1.6
171.11765	1.9
199.11241	5.6
201.83887	1.2
230.55325	1.7
269.18982	8.4
287.20096	2.8
337.23615	1.6
351.19260	19.0
411.21378	16.2
422.68549	1.3
529.27771	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	529.2774
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
66.84060	0.7
71.07627	0.6
81.03168	1.1
93.07067	0.7
95.08576	0.9
105.07014	1.4
107.08634	1.2
110.49981	0.7
117.21279	0.7
119.08573	1.6
127.03672	23.8
133.10143	1.2
135.08067	1.6
143.08546	1.0
145.10170	1.2
155.76808	0.7
157.10181	0.8
161.09666	0.8
163.11256	0.8
181.10104	0.8
305.18881	4.2
323.19769	1.3
365.20865	6.0
383.21921	3.0
409.23785	3.3
427.24503	1.7
445.44611	0.7
469.25443	5.8
529.27747	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41185	2.0
55.05511	4.7
62.19745	2.0
67.05508	29.0
69.07063	13.2
79.05500	21.1
81.07064	40.5
81.76989	2.0
83.08623	9.3
91.05478	12.5
92.17862	4.5
93.07061	32.8
95.08605	18.8
97.06567	2.6
97.10117	3.0
105.07022	2.6
107.08638	16.0
109.10139	4.1
109.85902	2.1
111.08080	2.6
117.07041	2.4
119.08570	4.8
121.10153	14.9
131.08546	11.9
133.10118	3.7
135.03362	2.3
135.11658	5.1
145.10133	3.3
149.13249	9.3
175.45587	2.0
295.46640	2.6
297.16489	2.3
347.26004	2.5
414.60883	2.4
434.14368	2.7
529.38904	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	530.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89493	1.0
53.99362	1.0
60.00470	1.2
62.68941	1.1
71.25492	1.1
81.03405	5.9
91.05484	47.5
93.07059	1.5
93.91859	1.3
97.80657	1.3
103.05472	1.5
105.03388	2.0
105.07024	1.7
107.08578	2.7
109.21228	1.2
119.04950	17.5
129.71347	1.3
131.08542	1.6
134.08636	1.7
134.09651	34.1
143.08499	1.4
147.04391	11.2
155.08501	1.9
157.10074	1.7
169.10117	2.6
171.11674	2.3
181.10114	1.9
183.11583	2.6
185.48383	1.2
194.10872	1.3
195.11687	1.2
205.10185	2.1
206.08124	1.5
206.10905	5.5
207.11621	9.0
210.11189	28.2
211.14801	5.7
217.10147	2.3
218.10857	1.9
219.09631	1.1
219.11626	10.3
220.12454	5.3
221.13216	11.0
231.11685	49.4
232.12512	7.4
233.13272	14.8
234.13983	2.0
235.14874	5.6
245.13284	2.7
246.14014	94.5
248.15575	7.2
251.17979	1.3
252.12366	2.9
261.16360	71.1
263.17947	20.8
277.15848	1.9
279.17239	1.9
321.18579	2.6
395.77869	1.4
451.50912	1.3
517.26959	1.5
530.29004	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	531.2589
Annotation	Scuterivulactone C1
Peak:m/z	Relative Intensity
55.05508	4.0
55.62955	4.4
67.05507	5.6
69.07077	6.5
79.05477	8.6
81.07043	8.6
81.77077	4.4
91.05476	19.4
93.07030	21.5
95.04984	8.3
95.08625	29.3
97.06524	5.4
105.03391	69.8
105.07040	34.0
107.08588	40.8
109.06481	16.9
109.10155	8.6
117.06957	5.1
119.08563	28.2
121.06481	9.6
121.10202	29.5
123.08054	27.9
123.11714	5.6
131.08551	18.2
133.06493	17.4
133.10149	8.7
135.08044	18.3
137.05989	5.6
137.09608	7.3
142.07840	5.0
143.08559	35.9
145.10114	24.7
147.08040	6.0
147.11649	5.7
149.06065	4.6
149.09619	6.4
151.07614	6.8
155.08591	20.3
155.32477	4.8
157.10123	22.9
159.08031	19.0
159.11703	8.6
161.09602	16.0
163.07448	6.9
163.11201	7.5
169.10118	25.3
169.29225	4.2
171.11681	7.7
173.09648	6.8
181.10059	10.0
182.10957	4.9
183.11690	22.8
185.13303	5.9
193.10092	7.5
195.11703	16.0
196.12479	4.9
197.09720	5.8
197.13237	17.2
199.14844	4.8
201.12711	4.8
207.11662	20.4
209.13271	8.1
211.11147	19.6
218.95807	4.4
219.11723	4.8
220.12369	5.1
223.15091	5.6
225.12831	5.7
235.11247	5.7
235.14810	6.4
249.16336	9.0
259.14847	4.6
267.17429	17.4
285.18408	5.1
287.16245	4.9
295.16959	23.2
313.18097	30.8
331.19104	33.3
349.20068	100.0
370.44794	4.5
394.74817	4.7
531.25977	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	531.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
69.07047	5.6
79.05482	2.2
82.93917	1.6
91.05462	10.9
93.07050	6.6
95.04972	1.9
95.08602	3.6
97.06525	5.9
102.87064	1.7
103.05467	24.1
105.07034	13.4
107.08564	5.8
109.06484	1.9
109.10137	5.7
117.07016	1.8
119.08567	15.0
121.10151	2.9
126.66096	1.4
128.06216	1.8
129.07007	2.9
131.04932	100.0
131.08568	3.5
133.10118	7.5
135.07968	1.7
137.09564	2.2
142.07784	2.9
143.08534	10.3
145.10158	11.7
149.09598	2.1
155.08508	10.5
156.09344	2.6
157.10120	9.4
159.08066	1.8
159.11681	2.6
161.13239	1.8
167.08563	2.4
168.09306	1.9
169.10135	11.9
171.11694	6.6
173.09514	1.6
173.13377	2.0
179.08524	2.4
181.10176	3.0
183.11696	12.2
192.09349	5.7
192.54323	1.4
193.10129	7.6
194.10922	2.5
195.11731	5.8
197.13248	7.8
206.10854	10.2
207.11748	12.8
209.13232	6.5
211.14775	5.9
215.53665	1.6
219.11699	2.0
220.12476	5.6
221.13289	17.7
225.12645	3.2
233.13300	10.3
248.15675	9.7
251.14322	5.7
253.19402	2.4
263.17947	36.8
281.18961	28.3
299.20261	2.8
323.20221	5.6
341.21164	11.9
341.77731	1.5
408.05869	1.7
411.22968	1.7
471.24841	2.2
531.27417	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	531.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60125	5.9
59.88335	6.1
69.07062	6.6
79.29557	6.2
80.02151	6.3
80.69869	5.8
86.22089	8.5
93.07004	7.2
105.07045	12.6
119.08558	33.5
131.04942	41.9
133.10124	9.0
143.08545	16.1
145.10199	8.9
157.10107	41.6
169.10089	12.7
179.08531	8.0
181.10135	8.1
192.09314	8.4
193.10094	37.9
195.11725	10.1
206.10901	15.2
207.11749	43.7
219.11617	16.8
221.13202	28.4
233.13286	26.7
234.13898	9.0
263.17935	100.0
281.18985	14.1
471.97382	7.0
531.38916	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2931
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
51.92431	0.7
52.13696	0.6
56.16572	0.6
92.18466	1.7
117.51709	0.8
121.72178	0.8
134.48413	0.8
217.84323	0.8
367.24472	3.5
531.29260	100.0
554.74097	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	531.2969
Annotation	Methyl lucidenate E2
Peak:m/z	Relative Intensity
55.01850	1.3
55.05501	1.9
55.44186	0.9
69.07065	6.5
73.99899	1.0
75.91455	1.0
81.07043	1.6
83.08622	13.0
92.18469	1.6
92.40997	1.1
93.07036	5.3
95.08607	16.5
97.06527	2.6
97.10165	1.3
105.03393	2.6
105.07019	6.4
107.08597	5.1
109.06535	1.4
111.08049	1.6
111.11707	7.8
113.09604	1.9
119.08568	1.7
119.94222	1.0
120.24252	1.2
121.06499	1.2
121.10155	13.8
123.04433	5.4
123.11657	1.7
133.06552	1.4
133.10120	2.8
137.05980	1.3
139.11168	9.0
145.10159	2.5
147.08066	4.6
149.06007	1.3
151.03905	100.0
157.10112	4.6
159.08035	11.3
159.11684	2.1
161.05981	1.8
161.09637	9.9
163.11188	2.2
171.11702	5.2
173.09575	1.4
175.11214	2.5
184.12183	1.2
187.07510	10.9
187.11130	2.2
189.09065	1.5
189.12737	7.1
195.11679	2.7
199.11115	1.6
213.12758	6.5
215.14162	1.5
217.12181	8.5
223.10960	1.3
241.12190	2.3
245.11604	1.3
247.13237	1.2
273.13739	1.2
311.20065	10.6
329.21045	19.2
371.22171	2.4
435.25052	7.9
453.26373	16.0
513.28662	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	532.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76315	1.1
72.04508	4.3
72.95639	0.9
79.05491	5.2
81.03406	6.4
104.03574	0.9
105.03405	1.4
105.06975	1.0
107.04956	60.5
112.96108	1.0
129.06895	1.2
131.04921	4.4
134.09653	100.0
141.07013	1.1
143.08510	2.2
149.05974	10.9
155.08557	1.5
157.10109	1.2
165.06996	2.3
167.08504	5.9
169.10092	15.6
178.07762	5.4
179.08521	16.8
180.09334	1.6
181.10129	9.9
189.07005	4.3
190.07794	1.8
191.08539	5.8
192.09248	3.9
193.10133	15.8
194.11899	29.1
195.11682	12.6
200.05881	1.1
202.07794	1.4
203.08554	15.1
204.09337	45.4
206.10925	9.1
207.11713	2.0
208.12462	4.8
209.13235	13.9
211.11182	1.6
218.10965	2.2
219.11679	65.2
221.13237	18.2
222.10434	8.4
235.11185	2.4
236.12050	1.7
237.12721	31.9
239.14267	5.0
251.14293	4.7
279.13766	7.2
281.15402	8.5
297.14853	1.5
339.15881	7.7
472.24829	15.3
475.31509	1.2
532.26874	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	3.0
74.06079	100.0
82.84566	2.6
83.04969	4.3
91.05479	30.3
105.07019	5.1
119.04937	3.2
132.08102	6.9
133.10162	22.4
143.08553	4.8
145.10123	4.2
150.09114	17.8
155.08594	3.7
157.97720	2.8
161.09390	3.1
167.08492	3.7
181.10168	4.4
185.13126	3.2
192.10182	26.3
199.11241	6.4
220.09680	16.1
238.10757	32.4
295.16885	25.7
403.54456	3.2
532.26270	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.3
61.02925	5.2
67.05510	71.0
69.07060	14.4
79.05497	29.5
81.07063	100.0
83.08606	6.4
91.05466	15.2
93.07041	59.2
95.08598	82.2
105.07015	17.9
107.08596	50.6
109.10149	47.1
117.07011	4.6
119.08571	21.6
121.10145	57.0
123.11681	23.7
129.51457	2.8
131.08551	21.9
133.10155	21.7
135.11684	37.8
137.13239	6.9
138.96672	3.1
145.10115	13.6
145.80772	3.2
147.11694	18.2
149.13301	27.3
159.11684	12.6
161.13261	13.3
163.14819	14.6
173.13283	18.8
175.14879	4.9
177.16394	5.5
187.14815	5.9
195.91827	3.2
243.21042	37.5
261.22116	76.6
279.23080	5.6
313.70889	3.1
335.25827	30.4
343.15363	3.3
353.26788	91.9
445.34637	3.2
483.90503	3.5
497.31064	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	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.1
57.07077	5.7
61.02945	4.1
67.05213	5.5
67.05513	75.4
69.07069	18.8
74.92771	4.1
79.05507	43.6
81.07066	100.0
83.08624	7.0
85.02902	6.6
86.78223	4.1
91.05487	16.2
93.07039	71.7
95.08610	76.6
97.10168	4.4
104.10899	3.9
105.07044	18.2
107.08598	62.2
109.10173	38.0
117.07009	5.1
119.08565	21.5
121.10138	74.7
123.11720	22.1
131.08560	34.0
133.10149	30.1
135.11682	51.3
145.10129	24.2
147.11685	26.0
149.13271	35.8
159.11673	27.3
161.13251	17.3
163.14824	18.8
173.13268	19.2
175.14867	5.0
177.16412	7.6
187.14793	9.0
209.31810	4.0
243.21082	24.0
261.22144	98.3
305.85541	4.3
335.25882	7.9
353.26862	93.3
369.24127	5.7
387.25363	7.5
405.26425	16.1
423.27377	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	533.1786
Annotation	Gnetuhainin I
Peak:m/z	Relative Intensity
50.76628	1.0
52.09425	1.1
53.31558	1.0
54.00974	0.9
55.84480	1.1
57.69478	1.1
68.20500	1.0
76.16386	1.1
80.20527	1.2
113.14133	1.3
127.78884	1.1
140.11601	1.2
221.86432	1.3
277.00031	4.6
313.68442	1.3
477.44199	1.3
531.92792	1.2
533.17761	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	533.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20789	0.4
56.60243	0.4
65.16632	0.5
72.04508	0.8
73.98161	0.4
76.78401	0.4
78.03785	2.5
82.17942	0.5
86.06010	0.5
88.02215	4.0
98.06018	0.7
99.05550	1.0
99.92784	0.5
102.03745	4.7
114.03739	0.7
115.08702	0.5
120.04755	0.7
124.07578	0.5
131.06361	3.0
132.04774	5.3
142.08620	0.6
149.07428	19.7
157.06474	1.8
159.05865	2.0
178.04878	0.9
181.06494	2.2
184.09732	1.6
185.05957	1.2
187.07600	0.6
199.07550	5.5
209.05933	2.5
213.05438	5.2
227.06995	12.5
237.05431	0.9
243.11450	0.7
255.06490	100.0
261.12653	19.0
275.48703	0.5
279.13956	0.5
296.03094	0.5
326.10199	7.9
403.13187	12.5
445.38663	0.6
515.18390	6.4
527.60541	0.5
533.23798	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	533.1996
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
54.75152	0.6
61.86501	0.7
95.01110	1.0
113.02160	0.9
113.07139	0.8
127.03711	1.1
155.03172	10.4
171.02611	1.1
189.05260	1.3
191.14256	0.9
204.07568	10.1
207.37256	0.8
209.15404	2.9
290.24258	0.7
310.75992	0.7
335.10959	1.0
533.19885	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	533.2359
Annotation	His Val Tyr Asp
Peak:m/z	Relative Intensity
53.27275	1.3
55.69290	1.2
64.59712	1.5
99.84218	1.3
139.73129	1.4
183.11557	1.7
185.05811	2.4
205.39249	1.7
209.13281	3.1
227.14183	1.5
237.12701	1.8
274.24216	1.5
277.12042	1.7
353.17178	2.0
354.14774	2.0
355.15439	1.7
413.19437	5.3
472.36450	1.6
473.21548	1.9
533.23529	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	533.2355
Annotation	Ejap 10
Peak:m/z	Relative Intensity
50.11898	1.5
54.99217	1.7
68.04300	1.8
69.03419	1.9
72.08179	1.6
79.05486	2.2
91.05444	1.9
93.07096	2.5
95.04948	1.8
105.07066	2.8
107.04928	3.5
107.08572	2.2
109.06502	1.9
119.08575	4.1
122.24696	1.9
125.06036	1.9
131.08511	5.7
133.10149	2.5
135.08047	2.8
143.08577	2.4
144.21356	2.0
145.10121	3.0
157.10149	2.6
159.08035	2.3
159.11682	9.2
161.13278	2.4
169.10106	2.7
171.11636	2.4
173.09604	2.0
183.11690	3.7
185.13223	2.1
187.11160	6.5
192.09331	2.2
197.09639	2.4
197.13271	6.9
207.11728	3.4
209.13135	1.8
211.11226	2.6
234.14038	2.2
239.17638	1.6
254.98599	1.7
267.17502	2.3
295.16916	3.0
353.17212	16.1
371.18210	22.7
413.19284	100.0
431.20251	11.4
473.21460	58.1
533.17670	17.3
533.24170	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96488	1.5
69.03435	2.2
81.07064	1.7
85.02894	1.8
93.07082	1.6
95.04926	1.7
119.08558	4.0
133.10121	3.2
143.08542	3.2
145.10098	2.0
147.08058	2.3
149.07423	2.1
157.10085	1.9
159.11612	2.0
171.11697	6.8
173.03217	1.7
173.13188	3.2
181.04686	3.4
182.10785	1.6
183.11678	3.2
197.13167	8.1
353.17047	12.4
395.17963	2.7
403.22632	3.9
413.19333	70.7
436.37936	2.0
473.21368	40.6
533.23535	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	533.2361
Annotation	Ejap 10
Peak:m/z	Relative Intensity
52.01199	1.2
55.01873	1.1
55.13473	1.3
69.03403	1.4
73.82683	1.5
75.44588	1.1
80.51124	1.2
81.70631	1.2
85.02913	1.9
91.05489	2.1
92.18496	1.3
93.07045	2.6
95.08589	1.6
97.02872	5.4
100.90762	1.3
105.07031	6.7
107.08616	1.9
115.92757	1.3
119.08572	5.3
129.06976	1.5
131.08533	2.3
133.10162	1.8
135.08025	1.6
141.06895	1.2
143.08560	2.3
145.10104	2.3
149.09633	1.4
154.93236	1.2
155.08539	3.0
156.09320	1.6
157.10130	6.7
159.11713	2.3
161.13332	1.4
169.10120	5.6
171.11736	2.5
181.10136	3.1
182.10883	1.6
183.11664	3.2
187.11316	1.6
191.14278	3.0
193.10109	2.4
195.11681	1.8
197.13306	3.1
198.14059	1.3
199.14961	1.8
295.81641	1.4
335.16162	5.5
353.17197	8.2
371.18234	23.2
395.18161	3.2
413.19324	100.0
463.82523	1.7
473.21484	51.7
522.69916	1.4
533.23596	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61750	3.4
52.29359	3.4
55.05452	3.3
59.04987	4.9
66.43120	4.4
69.03412	8.1
69.07060	7.0
79.05503	4.0
86.81884	4.2
97.06537	18.5
104.10645	4.4
104.24776	3.6
105.07060	16.3
117.07087	4.4
117.91255	4.0
121.06483	4.5
123.08079	4.3
126.58163	4.8
128.46738	3.9
130.37466	4.1
131.08560	5.5
133.06483	6.3
143.08607	14.5
145.06454	5.2
149.09630	4.3
155.08595	5.9
159.08051	18.5
161.09641	6.0
167.08566	5.5
167.75847	4.2
169.10141	9.3
171.08009	7.1
171.11641	6.0
173.06026	5.0
173.09595	7.4
179.08551	9.6
180.09369	7.5
181.10135	29.0
183.08078	6.5
183.11679	8.2
185.09608	16.2
191.10657	19.2
193.10086	16.3
195.08043	5.4
195.11696	17.2
197.09596	32.9
198.10423	7.7
199.11176	83.4
207.11705	21.2
208.12344	5.8
209.09621	20.9
210.10446	6.9
211.11156	100.0
213.12596	5.1
221.13181	5.8
223.11177	20.9
223.14737	5.3
225.09177	4.8
225.12764	49.0
227.10629	74.1
227.14220	5.9
232.12555	5.6
235.11093	9.5
235.14940	6.1
238.09921	4.5
239.10674	7.8
239.14194	14.6
241.12195	10.0
249.12700	6.4
251.14183	4.7
253.12173	48.9
265.15848	26.1
269.11566	18.6
271.13217	30.7
275.14392	5.3
281.15500	6.4
283.16953	8.5
293.15341	31.7
311.16455	34.1
313.14270	43.6
329.17358	6.2
353.17575	6.5
355.15341	5.9
366.76962	4.3
371.18436	22.1
533.24207	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	533.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01598	1.1
53.03950	2.1
57.31010	1.0
69.03420	7.8
69.07024	1.4
79.05492	2.4
81.03414	14.8
81.07055	13.3
83.04993	1.4
85.02901	5.2
91.05480	2.3
92.05148	1.3
95.08624	1.4
97.02896	1.7
99.04466	3.2
105.07043	16.6
107.08562	2.0
109.02872	18.5
109.06513	25.7
119.08575	9.2
121.06485	2.8
123.08078	1.4
127.03913	3.2
128.72153	1.4
133.06485	32.2
133.10120	6.0
135.08072	2.1
137.05983	17.7
147.08028	6.1
147.11674	22.5
156.09334	2.2
157.10204	2.1
161.05968	88.6
161.09596	2.1
161.13268	17.6
171.11679	11.8
174.10416	6.3
175.07541	5.0
175.11163	34.0
189.09096	2.0
189.12730	37.7
199.11234	2.1
202.09917	5.6
217.12228	100.0
226.45187	1.4
235.13292	9.6
287.05328	2.1
361.16464	17.6
379.17493	37.7
408.18143	1.5
429.20325	1.7
463.12970	1.3
467.22177	1.4
533.23822	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	533.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14589	2.6
62.78879	2.6
69.03405	3.8
69.07054	4.3
79.05486	5.1
81.07038	3.0
91.05463	4.5
93.07019	14.1
95.04967	6.1
95.08574	3.6
105.07039	24.7
107.08586	15.2
109.06524	6.9
117.11889	2.9
119.04931	6.8
119.08559	12.9
121.06495	17.2
121.10125	4.3
123.08073	5.6
129.07027	3.8
131.08565	7.5
133.06485	35.8
133.07381	3.8
133.10115	13.3
135.08075	13.7
141.06992	4.1
143.08562	5.2
145.06454	3.6
145.10106	5.5
147.08012	3.2
149.05956	5.2
149.09637	5.4
151.07520	4.9
155.08617	3.3
157.10104	14.7
159.08029	7.0
161.05884	3.5
161.09584	16.8
169.10098	13.9
171.08109	4.1
171.11693	5.8
173.09633	12.5
175.07521	4.0
175.11035	4.5
177.09114	21.5
179.08476	4.2
179.10695	3.7
180.09360	5.0
181.10126	18.0
183.08043	6.5
183.11754	4.9
185.09618	15.7
187.11250	5.6
191.10457	3.3
192.09277	7.2
193.10123	7.1
195.07994	7.0
195.11719	29.5
197.09592	17.5
197.13252	7.8
199.11186	25.6
201.09035	5.3
201.12767	5.2
206.10945	3.5
207.11758	18.3
208.08876	4.9
209.09593	17.2
209.13228	7.0
210.10335	3.8
211.11192	27.8
213.09154	6.0
213.12738	20.8
215.10672	3.8
217.10213	3.9
218.10768	4.1
219.44930	3.7
221.13377	12.0
222.10457	3.6
222.13974	4.4
223.11156	33.4
223.14859	4.6
225.09058	13.1
225.12782	22.4
227.10680	19.1
227.14258	5.1
229.12187	3.2
232.47044	3.0
233.13261	5.9
235.11176	21.5
237.12819	3.8
237.16328	4.3
239.10593	14.3
239.14310	5.9
241.12253	28.1
247.14857	12.8
249.12758	4.9
250.13556	7.3
251.10608	16.7
251.14343	7.4
253.12187	42.4
253.15919	5.6
255.17282	3.8
260.42035	3.5
263.14569	3.7
263.17947	5.5
265.15808	32.3
267.13910	6.1
269.11682	19.5
269.15308	12.3
275.14200	6.7
281.15488	6.6
283.16882	21.8
293.15344	42.8
295.13257	12.2
299.16614	3.7
311.16382	54.9
313.14413	4.7
329.17328	25.6
353.17331	15.5
371.18427	25.9
389.19681	13.1
413.19479	6.1
414.79602	3.2
431.20676	25.9
473.21432	5.7
491.22760	100.0
556.11194	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	533.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26098	12.5
52.72478	8.5
53.50294	8.5
69.06129	10.0
79.05486	14.7
83.04967	13.9
87.06783	12.5
91.05470	51.6
93.07049	23.1
94.53563	10.7
95.04963	20.9
95.08595	25.2
105.03369	11.2
105.07001	26.6
107.04961	10.6
107.08592	47.5
109.06512	22.3
110.72428	12.3
117.07003	16.9
119.08571	52.9
121.06504	100.0
123.08022	17.9
129.06975	24.2
131.08528	52.9
132.43387	12.1
133.06493	16.9
133.10141	22.9
135.08040	42.2
143.08585	53.3
145.10129	22.8
147.08070	50.3
149.09615	13.0
151.07494	61.9
155.08482	22.3
157.10124	42.3
159.08049	46.1
159.11734	11.3
163.16570	10.8
167.07161	13.0
167.08507	13.4
169.10086	25.4
171.08058	12.1
171.11722	13.9
173.09534	17.3
179.08586	17.7
181.10117	59.2
182.11014	14.1
183.11652	21.2
185.09622	17.5
191.10727	16.3
192.09343	46.8
193.08641	17.0
193.10229	21.2
194.10989	17.9
195.11742	80.8
197.13383	41.1
199.11206	23.0
203.10606	12.8
205.10109	14.1
206.10974	24.0
207.11720	65.2
209.13292	27.0
211.11284	14.5
213.12778	12.7
217.10164	17.6
218.10797	15.1
221.13290	44.2
223.11166	18.6
225.12717	46.6
232.12456	15.4
233.13255	19.3
235.11217	21.1
235.14809	20.6
237.12811	26.6
237.16301	19.5
241.12308	20.1
247.14819	26.5
251.14253	16.1
253.12312	13.0
253.15862	18.8
263.14386	16.2
265.15747	44.3
275.14139	13.6
283.16891	52.6
293.15445	47.1
311.16388	64.2
317.41522	13.5
371.18530	76.3
413.19604	12.2
431.20486	60.6
533.23987	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73485	5.8
55.05511	5.6
69.07059	13.7
78.46629	5.7
79.05470	8.0
91.05468	6.0
92.17880	11.7
93.07039	7.7
95.04980	10.7
95.08604	12.5
97.06516	29.0
105.07024	30.2
106.18346	6.7
107.08579	13.0
109.06505	8.8
117.07088	5.8
119.08583	14.1
121.06531	7.5
123.07974	18.3
129.07011	7.6
131.08527	10.1
133.06490	14.4
133.10103	9.9
135.44899	6.2
137.09738	7.0
143.08527	26.9
145.06494	13.6
155.08591	13.6
157.10117	11.8
159.08063	11.0
165.07033	8.1
167.08517	7.7
169.10118	23.7
171.08113	10.2
173.09715	7.1
180.09277	9.1
183.11745	11.4
185.09711	7.4
187.11002	9.6
192.09370	13.2
193.10135	11.0
195.07997	10.7
195.11705	43.6
197.09618	31.6
199.07591	7.7
199.11218	23.7
205.10165	11.3
206.10921	11.2
207.11714	35.0
208.12477	7.4
209.09659	23.7
209.13213	7.7
210.10364	23.9
211.11101	26.0
213.12746	8.8
217.10135	13.3
218.10936	7.6
221.13210	14.6
222.10271	7.5
222.13930	7.8
223.11150	55.7
223.14786	14.5
225.12720	31.4
227.10635	10.6
229.58923	6.6
232.12437	23.3
235.11182	31.0
236.11812	10.8
237.12762	11.5
237.16431	14.6
239.14384	10.7
241.12231	8.9
244.89250	5.5
247.14844	25.8
249.12892	8.9
250.13492	11.1
251.14307	24.9
253.12256	30.8
260.11951	10.5
265.15860	45.1
275.14243	26.0
278.12927	6.4
281.15500	11.7
283.16953	7.9
293.15369	100.0
297.14856	6.2
311.16290	63.0
313.14349	13.7
316.24365	6.3
329.17407	14.3
335.16547	8.7
353.17517	28.0
371.18588	36.8
373.16550	28.6
431.20694	27.0
533.23621	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	533.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23535	4.3
54.41277	5.0
55.05500	5.6
57.11889	4.1
59.96884	4.1
67.05498	7.2
68.13556	3.8
69.03412	5.1
69.07084	12.3
81.07057	9.6
83.04951	5.8
91.05466	10.4
91.40441	4.8
92.17869	9.1
93.59107	6.8
95.08587	29.5
97.06517	44.2
105.07027	37.1
107.04916	6.3
107.08607	6.4
107.81289	5.0
109.06531	6.1
115.05521	4.9
117.07013	7.5
119.08579	23.4
121.06499	19.3
121.10124	8.8
123.08070	33.9
124.82970	5.5
125.97344	4.8
129.07018	8.4
131.08545	19.4
133.06490	11.7
133.10139	7.6
137.09550	5.7
138.91420	4.5
143.08562	31.5
145.06491	21.6
145.10081	18.4
147.07996	8.8
148.06769	5.2
149.09650	10.6
155.08565	27.1
156.09244	5.7
157.06503	6.7
157.10158	10.4
159.08035	21.2
159.11720	6.7
161.09596	23.9
165.07016	9.0
167.08517	7.1
169.10129	20.6
171.08052	11.5
171.11642	7.6
173.09592	17.8
175.07494	9.0
177.09109	6.0
179.08517	8.7
180.09326	10.3
181.10110	41.5
183.08052	9.9
183.11696	26.5
185.09598	20.1
185.13380	7.6
187.07486	8.3
191.08566	6.8
192.09337	24.8
193.10114	30.8
194.10909	6.0
195.08058	8.6
195.11674	47.5
196.08873	6.8
197.09615	23.1
197.13280	19.8
199.07570	6.3
199.11240	24.1
205.10181	10.8
206.11037	6.4
207.11748	39.0
208.12424	11.9
209.09645	35.5
209.13174	8.1
210.10385	26.5
211.11212	36.0
213.09126	11.9
213.12781	19.4
217.10132	21.8
220.08856	8.8
220.12512	8.3
221.13231	11.6
222.13950	7.8
223.11186	48.7
223.14719	10.3
224.11861	6.1
225.09146	8.2
225.12706	48.0
227.10768	22.6
232.12506	27.8
233.09558	6.6
233.13295	6.0
235.11081	34.2
235.14781	7.5
236.11902	9.0
237.12669	9.4
237.16437	10.7
238.09781	7.0
239.14354	8.1
241.12131	18.6
241.15932	8.6
245.09595	6.4
247.14815	33.1
249.12750	10.2
250.13588	10.4
251.10858	9.9
251.14415	27.4
253.12195	44.5
260.12000	20.4
263.14359	17.8
265.15906	58.8
269.11795	8.6
269.15134	6.1
271.13147	8.2
275.14368	25.0
278.13098	7.2
281.15494	7.8
283.16904	23.6
291.58499	5.7
293.15314	100.0
311.16321	72.4
313.14343	30.2
329.17334	7.0
335.16641	6.4
353.17477	39.7
371.18488	31.1
373.16556	34.8
413.19467	6.8
431.20731	8.1
473.21628	5.4
504.19327	5.8
533.23419	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	533.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07042	13.5
73.35934	6.0
90.57893	6.8
93.07069	10.9
95.08603	11.1
97.06525	33.3
105.07025	23.4
119.08596	6.7
121.06449	10.0
123.08035	15.4
131.08554	8.5
135.07968	7.0
143.08559	14.3
155.08614	7.7
159.08070	25.8
165.07069	9.3
167.08563	8.6
169.06427	7.9
169.10126	28.3
171.07945	9.3
171.11774	9.0
173.09514	11.4
179.08481	9.6
180.09286	9.1
181.10088	32.3
183.08136	6.8
183.11641	13.2
185.09608	14.7
187.07617	9.8
192.09418	8.9
193.10139	15.3
194.10875	8.9
195.11703	45.4
196.08916	9.8
197.09627	29.1
197.13304	28.7
199.07552	7.8
199.11252	7.8
206.10883	11.5
207.11732	40.9
208.12555	9.3
209.09605	30.3
209.13295	9.0
211.11192	46.5
212.68590	7.3
217.10129	10.9
221.13257	12.2
223.11226	49.7
223.14873	12.5
225.12701	28.4
232.12520	24.5
235.11179	26.8
237.16438	12.6
239.14401	7.5
241.12152	23.8
247.14836	13.4
249.12634	9.2
250.13441	8.4
251.10666	10.2
251.14297	14.5
253.12265	33.6
260.11926	13.6
263.14218	7.8
265.15839	42.5
275.14383	14.9
281.15491	8.6
283.16904	11.1
293.15347	100.0
311.16379	59.9
313.14200	28.2
324.29224	6.7
329.17542	7.2
353.17526	29.5
371.18491	25.4
373.16403	32.9
413.19839	11.3
533.23743	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	533.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38991	13.3
66.26193	11.3
79.05474	14.7
81.07065	15.0
82.47152	11.1
83.04983	14.1
91.05472	25.7
93.07059	29.4
95.04974	27.7
95.08626	28.3
95.73936	11.8
97.06508	18.1
105.07036	80.5
107.08604	51.4
109.06497	18.4
119.08576	55.5
121.06516	83.2
121.10165	20.8
123.08056	72.5
131.08568	55.8
133.06493	27.6
133.10144	23.1
135.08037	48.1
137.06041	15.8
145.10118	25.1
147.08054	24.5
148.65315	13.2
149.05940	22.0
149.09607	74.3
151.07544	16.3
155.08513	26.7
157.10152	18.8
159.08052	48.2
161.09583	30.2
163.07544	15.6
163.11191	14.2
171.11644	20.8
173.09633	31.0
175.11221	17.2
177.09026	25.5
185.09547	17.5
191.10669	15.8
193.10098	14.2
195.11685	16.7
197.09676	17.5
199.11201	19.6
209.13301	16.2
211.11192	24.3
213.12781	17.0
221.13097	14.4
223.11143	21.3
223.14772	54.0
236.11948	14.5
250.13536	22.9
255.76364	13.1
265.15854	31.1
293.15384	60.6
311.16553	100.0
329.17496	66.5
353.17624	20.7
371.18466	68.5
389.19470	25.9
431.20688	50.5
491.22452	15.9
499.63455	12.9
533.23169	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	533.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72586	4.0
71.57025	4.7
75.32545	4.7
79.05480	5.7
91.05494	7.6
91.72886	4.8
93.07030	20.9
95.04965	7.3
95.08603	21.4
96.38657	4.8
105.07027	44.1
107.08582	11.1
109.06574	6.7
109.10164	5.6
117.07020	7.2
119.08562	20.5
121.06509	30.8
121.10195	7.5
129.06967	10.7
131.08537	11.1
131.63284	4.7
133.06491	34.6
133.10168	7.9
135.08046	24.4
143.08540	21.3
145.06473	6.9
145.10139	10.1
147.08020	20.5
149.05978	5.8
149.09653	11.6
151.07590	11.2
155.08560	6.7
157.10069	8.5
159.08015	11.1
161.09595	42.1
163.07532	5.8
167.08527	7.0
169.10112	21.6
171.08008	6.9
173.09666	10.1
177.09120	29.2
181.10133	24.0
183.11693	8.5
185.09583	20.4
187.11234	7.4
191.08574	6.1
193.10112	20.7
195.07944	5.5
195.11708	46.4
197.09596	8.4
197.13246	8.0
198.10495	6.2
199.11238	19.5
205.10159	12.0
206.10873	6.2
207.11626	34.5
208.12482	5.9
209.09656	34.1
209.13228	19.7
210.87181	4.5
211.11157	24.8
213.12698	20.6
217.10054	9.5
218.10905	7.3
219.11734	6.4
221.13283	18.7
223.11179	48.2
223.14781	12.0
225.09192	9.7
225.12787	6.9
227.10701	6.6
227.14464	4.8
232.12466	21.5
233.13232	9.2
235.11234	7.4
235.14792	11.7
236.11902	6.7
237.12785	10.8
237.16330	20.7
239.14409	8.0
241.12332	8.1
241.15797	6.1
247.14815	27.7
249.12816	9.9
250.13608	8.4
251.10609	18.8
251.14334	24.9
253.15964	9.1
260.11908	7.9
263.14279	19.1
265.15894	54.1
269.15268	9.1
275.14264	18.4
278.12900	7.3
281.15430	28.4
283.16998	20.3
293.15384	70.0
299.16650	5.8
301.18130	5.4
311.16385	100.0
329.17404	20.6
353.17328	37.0
371.18640	39.4
389.19659	19.0
431.20609	29.3
455.56119	5.5
473.21353	9.7
491.22781	31.2
533.24951	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01850	1.9
56.07289	1.7
57.03436	3.2
61.02922	8.1
64.63826	1.5
67.05492	1.9
69.03439	23.6
69.07061	3.2
71.04987	3.2
73.02917	2.4
79.05523	2.5
81.03413	9.7
81.07073	2.2
85.02906	87.7
87.04465	3.9
91.03954	2.2
93.07037	3.9
95.04975	3.4
95.08611	2.6
97.02891	26.1
99.04463	2.9
105.07015	12.0
107.08601	7.3
109.02870	10.3
109.06531	4.0
115.03955	2.0
119.08576	3.2
121.06512	2.9
123.08080	18.0
127.03904	23.9
133.06506	2.5
133.10172	7.8
135.08047	24.8
135.11707	2.1
137.05971	6.9
137.09622	2.4
143.08574	2.3
145.04973	16.9
147.11702	1.8
149.09637	2.0
157.10077	2.6
161.06035	2.3
161.09601	6.9
165.12706	15.5
173.13393	1.9
177.09123	4.1
191.14297	89.1
193.15884	8.1
195.11687	4.1
197.09674	3.6
199.11224	2.7
209.09621	1.9
209.13251	2.8
209.15237	4.9
211.11273	8.5
213.12758	3.7
223.11148	7.5
223.15042	2.1
227.10724	2.5
239.10695	3.0
241.12181	3.7
251.14360	4.1
260.12152	2.6
265.15912	4.4
269.11758	4.1
275.14389	2.1
281.15305	2.0
283.16940	4.1
293.15479	10.1
299.16428	3.1
311.13412	1.9
311.16449	14.0
327.07971	1.7
329.17606	4.3
353.17511	3.7
371.19623	3.1
389.19672	2.6
431.20563	10.2
449.21631	2.7
491.22684	16.7
533.25952	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	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01850	1.9
56.07289	1.7
57.03436	3.2
61.02922	8.1
64.63826	1.5
67.05492	1.9
69.03439	23.6
69.07061	3.2
71.04987	3.2
73.02917	2.4
79.05523	2.5
81.03413	9.7
81.07073	2.2
85.02906	87.7
87.04465	3.9
91.03954	2.2
93.07037	3.9
95.04975	3.4
95.08611	2.6
97.02891	26.1
99.04463	2.9
105.07015	12.0
107.08601	7.3
109.02870	10.3
109.06531	4.0
115.03955	2.0
119.08576	3.2
121.06512	2.9
123.08080	18.0
127.03904	23.9
133.06506	2.5
133.10172	7.8
135.08047	24.8
135.11707	2.1
137.05971	6.9
137.09622	2.4
143.08574	2.3
145.04973	16.9
147.11702	1.8
149.09637	2.0
157.10077	2.6
161.06035	2.3
161.09601	6.9
165.12706	15.5
173.13393	1.9
177.09123	4.1
191.14297	89.1
193.15884	8.1
195.11687	4.1
197.09674	3.6
199.11224	2.7
209.09621	1.9
209.13251	2.8
209.15237	4.9
211.11273	8.5
213.12758	3.7
223.11148	7.5
223.15042	2.1
227.10724	2.5
239.10695	3.0
241.12181	3.7
251.14360	4.1
260.12152	2.6
265.15912	4.4
269.11758	4.1
275.14389	2.1
281.15305	2.0
283.16940	4.1
293.15479	10.1
299.16428	3.1
311.13412	1.9
311.16449	14.0
327.07971	1.7
329.17606	4.3
353.17511	3.7
371.19623	3.1
389.19672	2.6
431.20563	10.2
449.21631	2.7
491.22684	16.7
533.25952	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	533.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.8
57.07055	2.1
67.05508	15.6
71.47009	1.9
78.71691	2.0
79.05483	3.0
81.07050	8.1
86.64975	1.9
91.05481	9.4
93.07043	23.6
95.08604	40.9
103.05466	19.9
105.07045	18.2
107.08572	11.4
109.10146	20.1
114.51078	2.1
117.07034	8.6
119.08582	24.8
121.10131	16.5
122.40093	2.1
129.07054	2.4
131.04926	100.0
131.08580	17.3
133.10081	21.4
135.11685	3.8
143.08530	11.8
145.10114	22.8
147.11671	4.7
149.06013	2.3
155.08580	9.6
156.09306	2.5
157.10124	25.3
159.11708	23.0
161.09544	3.0
165.06989	2.1
167.08578	4.5
169.10118	16.3
171.11690	17.4
173.13318	8.6
179.08514	4.2
181.10107	17.4
182.10849	2.4
183.11621	17.4
184.88252	2.2
185.13254	12.5
192.99261	2.0
193.10132	3.5
194.10953	10.0
195.11688	23.8
197.13181	20.4
199.14880	3.6
207.11874	2.2
208.12479	9.0
209.13251	23.1
211.14745	2.3
213.12735	3.3
221.13286	4.7
222.14070	3.9
223.14763	23.8
237.16383	3.2
241.15942	2.2
250.17154	4.4
255.21045	3.2
265.19507	58.4
283.20465	27.1
325.21564	2.8
348.88220	2.8
359.35120	2.3
467.51727	2.3
505.67096	2.4
533.28845	3.2
533.38947	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	533.3474
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
50.11551	1.5
55.05503	10.1
57.07067	3.9
62.39316	1.8
63.89719	1.8
67.05504	12.5
69.03441	2.0
69.07085	18.7
71.08622	3.8
76.03543	2.0
78.62265	1.9
79.05486	3.1
81.07058	16.7
83.08622	7.8
93.07036	12.7
95.04952	9.2
95.08614	29.5
97.06520	2.7
97.10165	13.0
105.07024	4.2
107.08597	18.5
109.06526	3.6
109.10153	43.5
111.08067	6.9
111.65850	1.8
119.08578	8.6
121.06542	3.2
121.10100	8.2
123.08025	2.1
123.11701	3.5
125.09616	2.4
127.11185	9.2
131.08560	4.3
133.10124	8.8
135.11708	21.6
137.05977	2.0
137.13264	24.2
143.08551	9.1
145.10118	9.4
147.08026	3.1
147.11716	2.0
149.09607	2.5
149.13235	2.5
153.12717	11.3
155.08549	2.4
157.10109	7.3
159.08063	2.3
159.11690	8.9
161.09593	4.1
169.10103	4.2
171.08063	7.4
171.11746	2.8
173.09674	15.0
173.13255	9.3
175.11229	2.0
181.10025	2.2
183.11705	11.6
185.09590	2.0
185.13387	2.5
187.11139	4.1
187.14929	2.3
189.09116	1.8
191.10646	8.9
193.10056	2.5
193.15878	3.3
195.11716	11.9
197.13240	19.5
199.11133	4.4
199.14926	3.0
201.12685	3.5
209.13283	4.3
211.06940	2.1
211.11276	3.5
211.14786	2.0
213.12791	4.3
213.14723	2.9
215.14265	3.0
219.13716	2.4
223.11292	2.9
225.12747	10.5
227.14348	2.4
229.12144	2.8
231.13742	2.2
235.14890	3.2
237.16338	2.4
239.05696	1.9
239.14198	3.0
247.14873	3.2
251.14114	2.8
253.16013	3.0
255.17413	2.6
265.15881	10.5
281.22614	2.6
283.16986	25.3
299.16257	19.3
301.17957	100.0
305.19171	2.0
311.19986	8.9
313.18073	2.5
315.19791	2.7
328.20386	2.6
329.21222	6.9
335.20084	4.3
339.19418	17.2
341.21106	8.0
353.21094	29.2
354.21991	11.5
355.22531	2.1
357.20786	4.4
367.22522	3.6
371.22110	4.5
419.29681	4.0
437.30508	56.1
455.31586	58.0
473.32544	12.2
497.32535	31.7
515.33514	21.3
533.22937	2.7
533.34753	63.2
535.97870	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	534.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36883	11.0
69.07050	10.4
72.67568	11.2
79.05502	16.5
81.07045	16.8
87.22708	12.5
91.05455	11.5
93.07066	12.9
95.04947	28.8
95.08604	21.2
104.30824	11.5
105.07030	75.9
107.04936	100.0
107.08601	28.2
109.10133	14.1
112.93643	12.4
119.08569	86.3
121.10108	53.5
123.08052	21.3
126.28766	12.5
131.08577	47.1
133.10130	24.2
135.08093	17.5
143.08557	52.6
145.06502	20.2
145.10115	47.6
147.08080	21.4
149.05980	14.3
155.08545	28.5
157.10144	69.2
159.11720	15.4
161.09680	21.8
169.10092	78.4
171.08075	16.9
171.11700	47.4
173.09538	24.0
173.13237	16.0
175.07553	14.9
179.08527	13.2
181.10109	63.2
183.11694	65.6
184.07413	27.3
192.09309	18.8
193.10170	40.6
194.11841	79.4
195.11694	64.6
196.12599	15.6
197.13272	60.0
199.14948	11.0
207.11708	51.3
209.09691	24.0
209.13281	60.6
211.11162	24.7
211.14667	13.5
221.13191	25.7
223.11208	14.4
224.11826	13.3
225.16435	13.0
233.13295	14.0
234.14085	13.0
237.12645	14.7
249.16548	13.0
251.14230	21.6
263.18222	13.4
264.02371	12.0
265.15833	16.8
267.17361	17.5
268.16879	17.6
277.15961	14.6
283.16983	21.8
295.16843	95.9
313.17880	19.9
353.68256	11.8
373.20013	69.6
414.22836	11.9
433.22012	21.9
474.24759	74.1
530.12415	14.4
534.25488	37.1
534.33453	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63249	0.9
53.99939	0.8
58.17408	0.9
62.66354	0.9
79.05511	8.3
81.07060	1.1
85.02908	6.3
92.17823	2.2
93.07019	2.3
97.02882	1.7
98.61831	1.2
105.07035	1.5
106.58195	0.9
107.04955	100.0
109.06555	1.6
127.03879	1.2
129.06976	1.6
131.04933	1.7
131.08582	5.3
134.09647	17.7
135.08009	1.2
138.51849	1.1
140.70552	1.1
143.08542	4.5
147.08000	3.8
149.05980	14.3
155.08566	1.5
159.08005	1.2
167.08553	1.5
169.10097	1.7
178.07793	1.8
179.08499	8.1
180.09344	2.6
181.10132	5.9
181.29070	1.1
183.07918	1.2
191.08583	5.5
191.14333	1.5
192.09416	5.1
192.14697	1.5
193.10159	6.8
194.11780	62.7
195.11671	2.3
205.10118	1.8
206.10922	25.9
206.12837	1.4
208.12360	1.4
209.09625	1.2
211.14700	1.8
221.13211	21.1
223.14880	6.2
224.12083	1.7
239.14261	14.8
249.58745	1.2
281.15359	3.6
299.16409	6.0
317.24533	1.1
341.17392	2.1
366.00525	1.0
451.61447	1.4
474.26395	10.0
534.28424	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19811	0.6
54.20732	0.7
58.86042	0.7
59.68927	0.6
62.75219	0.8
69.87625	0.7
76.81875	0.7
79.05486	6.9
91.05454	1.1
93.07011	4.1
94.99040	0.9
96.01203	0.7
105.07022	1.7
107.04954	100.0
109.06486	1.5
119.08564	1.3
129.07011	3.6
131.08591	3.9
134.09657	11.1
135.63036	0.8
143.08549	1.8
145.06477	1.4
145.10130	1.0
147.08049	8.1
149.05974	16.7
155.08559	1.5
159.08138	2.9
161.09859	0.8
167.08571	1.4
169.10130	3.2
179.08560	7.6
180.09346	1.2
181.10121	3.5
183.11653	1.6
191.08591	3.6
192.09273	3.0
193.10152	4.6
194.11771	61.2
195.11749	2.8
197.09636	1.7
197.13269	1.1
205.10226	1.2
206.10899	15.0
209.09599	1.2
211.14787	1.6
221.13229	16.1
223.14886	3.4
224.11931	1.1
235.54956	0.8
239.14265	20.2
281.15448	1.8
299.16388	11.6
341.17371	5.8
425.20413	0.9
447.21741	1.0
474.26355	7.9
492.27731	1.6
534.28491	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.26347	0.6
59.20926	0.5
59.50332	0.5
65.31361	0.5
67.21015	0.6
73.71677	0.6
79.05502	9.0
81.07034	1.2
85.02901	1.3
91.05481	2.6
93.07038	5.7
105.07012	3.2
106.18563	0.6
107.04951	100.0
108.54767	0.6
109.06521	1.1
115.74762	0.8
119.08556	1.3
129.07025	1.4
131.08554	4.0
134.08640	0.9
134.09645	15.8
141.07042	0.8
143.08563	4.0
145.10060	1.1
147.08049	4.3
149.05969	17.1
155.08578	3.1
157.10066	1.1
159.08055	1.0
165.06944	1.6
166.07811	1.2
167.08534	3.3
169.10139	2.6
172.55794	0.6
178.07822	2.8
179.08539	8.2
180.09279	1.1
181.10103	5.8
182.10945	0.7
183.11647	1.2
191.08601	5.0
192.09378	4.4
192.10452	1.1
193.10115	7.9
194.11761	62.9
195.11659	5.1
197.09598	0.9
197.13281	1.5
205.10114	1.3
206.10889	23.9
208.12383	1.4
211.11127	0.9
211.14844	3.0
221.13245	23.0
223.14803	6.0
224.11896	1.0
239.14249	15.2
270.26251	0.7
281.15375	5.3
299.16446	5.7
316.47360	0.6
341.17575	4.4
419.81586	0.8
474.26370	14.4
492.27747	1.4
519.62805	0.6
534.28497	61.5
560.22449	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	534.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
73.08568	0.7
79.05496	7.9
81.07050	0.7
91.05481	1.0
92.48632	0.6
93.07062	5.6
95.04948	0.9
96.29534	0.7
105.07033	3.1
107.04958	100.0
109.06515	2.5
110.72906	0.6
113.06829	0.6
128.00916	0.7
129.06984	3.1
131.02667	0.6
131.08578	3.8
133.06491	1.1
134.09650	14.8
143.08565	3.4
145.06490	0.8
147.08064	5.7
149.05974	16.4
155.08575	3.1
156.35046	0.6
159.08018	1.5
165.07018	1.3
167.08600	1.2
169.10173	2.5
178.07703	1.3
179.08521	7.4
181.10056	5.9
183.11700	3.2
191.08554	3.4
192.09361	4.2
193.10136	5.6
194.11774	62.6
195.11708	3.3
197.09628	2.6
197.13348	2.3
205.10260	1.0
206.10898	18.4
208.12534	0.7
211.11224	1.2
211.14813	1.4
221.13239	16.3
223.14857	5.2
224.12027	2.9
239.14288	20.3
281.15375	1.5
299.16467	11.9
341.17630	6.7
350.13235	0.8
428.29666	0.7
447.21564	0.9
474.26328	7.1
492.27396	4.0
534.28467	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.285
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03967	0.7
79.05495	7.9
91.05473	2.8
93.07034	4.0
105.07015	3.1
107.04957	100.0
109.06520	1.0
129.06979	3.0
131.04947	1.0
131.08591	3.5
133.06470	0.8
134.09656	12.8
143.08553	2.7
145.06496	1.3
147.08044	6.3
149.05978	16.2
155.08563	1.5
159.08072	3.3
165.06982	1.3
167.08548	1.4
169.10088	3.2
178.07785	1.4
179.08542	6.8
180.09262	1.5
181.10080	3.7
183.08052	0.8
183.11722	2.7
183.37993	0.6
191.08568	3.5
192.09233	0.9
192.10336	0.9
193.10152	4.0
194.11780	59.3
195.11717	3.2
196.12675	0.7
197.09581	2.5
197.13277	2.6
205.10170	1.1
206.10878	15.3
206.12636	1.0
208.12486	0.6
209.09630	0.6
210.10353	0.8
211.11171	1.1
211.14870	3.0
221.13239	14.7
223.14857	4.0
237.12758	1.2
239.14294	20.6
281.15369	1.3
283.67804	0.8
299.16360	11.6
318.74942	0.6
341.17581	4.9
387.85416	0.7
399.66095	0.8
474.26288	7.8
492.27414	3.4
534.28497	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19811	0.6
54.20732	0.7
58.86042	0.7
59.68927	0.6
62.75219	0.8
69.87625	0.7
76.81875	0.7
79.05486	6.9
91.05454	1.1
93.07011	4.1
94.99040	0.9
96.01203	0.7
105.07022	1.7
107.04954	100.0
109.06486	1.5
119.08564	1.3
129.07011	3.6
131.08591	3.9
134.09657	11.1
135.63036	0.8
143.08549	1.8
145.06477	1.4
145.10130	1.0
147.08049	8.1
149.05974	16.7
155.08559	1.5
159.08138	2.9
161.09859	0.8
167.08571	1.4
169.10130	3.2
179.08560	7.6
180.09346	1.2
181.10121	3.5
183.11653	1.6
191.08591	3.6
192.09273	3.0
193.10152	4.6
194.11771	61.2
195.11749	2.8
197.09636	1.7
197.13269	1.1
205.10226	1.2
206.10899	15.0
209.09599	1.2
211.14787	1.6
221.13229	16.1
223.14886	3.4
224.11931	1.1
235.54956	0.8
239.14265	20.2
281.15448	1.8
299.16388	11.6
341.17371	5.8
425.20413	0.9
447.21741	1.0
474.26355	7.9
492.27731	1.6
534.28491	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.285
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06074	1.6
75.38445	0.7
79.05492	7.4
86.65971	0.6
91.05442	2.9
93.07037	3.4
95.04955	0.9
101.79452	0.7
105.07014	1.8
107.04955	100.0
109.06512	1.7
119.08577	0.8
129.06992	4.5
131.04901	0.7
131.08559	4.5
134.09657	10.9
140.20558	0.8
143.08560	1.7
145.06493	1.2
147.08006	5.8
149.05966	15.6
155.08530	2.9
159.08018	3.1
165.06953	1.4
167.08600	0.9
169.10085	1.8
178.07799	1.3
179.08545	7.6
180.09323	1.5
181.10127	4.5
183.11613	1.5
191.08574	4.2
192.09300	1.1
193.10170	4.9
194.11774	58.4
195.11589	3.2
197.09628	1.4
197.13318	0.9
206.10892	13.1
208.12267	0.9
209.09689	0.8
209.13287	1.5
211.11113	0.8
211.14861	1.5
221.13275	15.3
223.14821	1.8
224.11919	0.9
237.12804	3.0
239.14279	25.4
281.15494	0.8
292.75952	0.8
299.16412	10.1
341.17441	4.6
474.26523	7.1
492.27670	1.6
534.28491	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02885	1.6
57.03432	3.3
57.07085	2.0
67.05517	7.0
69.07066	4.6
71.08623	10.8
79.05505	4.0
81.07060	11.2
83.08624	2.4
83.27557	1.7
84.51147	1.9
93.07038	9.6
95.08604	10.5
97.06554	2.5
99.08095	2.4
105.07047	2.3
107.08588	11.1
109.06535	10.1
110.60109	1.8
113.08681	2.0
119.08624	2.0
121.10143	2.8
123.08089	2.4
123.11674	3.0
135.11702	2.4
147.11659	3.6
161.13164	2.3
165.12733	24.8
173.42838	2.3
221.18996	4.0
263.19894	4.2
279.70520	2.1
293.21036	2.0
319.26248	26.9
337.27475	7.2
339.43469	2.1
375.29056	2.8
391.84918	2.3
393.29977	100.0
534.31812	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	534.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
67.05490	1.3
79.05479	7.0
86.08733	1.1
91.05527	0.9
93.07034	1.3
95.08587	1.3
103.05503	1.0
105.07009	6.2
107.04951	100.0
107.08574	1.5
109.06476	1.1
109.10155	1.3
119.08563	7.1
121.10112	4.1
131.08566	3.8
133.10115	4.2
134.09637	12.7
143.08554	4.7
145.10098	4.5
149.05962	20.2
155.08560	2.5
155.10046	1.0
157.10141	4.1
159.11722	1.2
167.08569	1.2
169.10101	2.4
171.11650	2.1
181.10179	1.9
183.11676	4.0
194.11763	74.8
195.11624	2.3
197.13231	2.0
207.11653	1.4
211.11235	1.1
211.14789	1.5
221.13237	1.2
223.14966	1.2
225.12698	1.5
237.16409	1.4
263.17896	1.9
281.19064	7.4
534.32111	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45813	2.0
59.04726	4.3
59.05006	100.0
69.07076	2.9
78.60234	2.0
85.11665	2.5
87.04468	5.5
89.06027	78.3
91.84103	2.2
103.07581	65.4
106.28384	2.2
109.02876	3.2
133.08600	32.2
139.03847	2.2
147.04391	2.8
147.10139	19.0
165.09125	3.7
169.90015	2.2
177.11223	14.3
240.64549	2.5
279.15271	2.3
385.15802	2.4
426.34390	2.3
517.32050	45.3
534.20313	21.6
534.34723	58.5
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
57.88053	9.7
61.37759	11.1
67.05508	56.2
69.07078	16.7
81.07064	100.0
83.08609	19.5
84.68661	11.2
86.09689	15.3
88.58579	12.8
95.08599	61.1
97.45361	15.1
104.10717	16.9
109.10135	17.9
115.51561	11.0
121.10148	20.7
123.11726	17.4
133.10094	14.8
185.91756	14.4
245.22679	15.7
263.23682	57.4
322.69894	12.2
468.31696	15.4
517.99164	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	534.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82376	10.9
56.25521	12.5
57.07071	17.9
67.05486	58.5
69.07067	15.9
81.07050	82.6
83.08619	24.5
86.09737	31.4
95.08591	100.0
104.10751	19.7
107.08598	20.1
109.10153	32.6
121.10120	19.8
124.99937	14.8
133.10132	27.8
136.10614	13.7
141.36345	13.8
163.14818	15.7
184.07310	68.6
245.22697	16.5
263.23706	61.5
324.06528	14.6
337.27310	51.0
355.28546	29.1
466.58871	15.6
546.27863	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	535.1578
Annotation	Aprepitant
Peak:m/z	Relative Intensity
56.78940	1.4
67.24415	1.1
67.67706	1.3
70.17960	1.3
73.61475	1.4
96.00741	1.3
96.48388	1.4
104.01710	1.5
108.99167	1.4
123.04418	3.5
126.69373	1.3
142.81877	1.4
165.05496	20.8
227.45625	1.3
247.05931	1.6
317.10175	10.7
535.15717	100.0
535.23199	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	535.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79438	1.2
53.77169	1.0
87.39803	1.2
89.28737	1.5
89.72646	1.5
96.61082	1.3
118.06511	2.7
144.08107	1.8
146.06003	34.4
159.09143	2.1
188.07063	100.0
205.09732	38.2
331.52100	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	535.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33969	0.4
65.57169	0.3
74.02452	0.3
117.62560	0.3
118.06550	2.9
130.06482	0.5
132.08080	1.7
144.04402	0.4
144.08083	5.8
146.06004	39.2
156.19058	0.4
159.09178	5.6
170.06013	2.3
188.07056	100.0
193.04124	0.4
194.04454	0.4
205.09711	33.9
385.61044	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	535.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03949	2.0
67.05510	1.7
79.05463	2.0
81.07050	2.2
91.05483	1.9
93.07040	4.2
95.04964	11.4
95.08557	1.0
105.03393	100.0
105.07037	10.2
107.04946	8.0
107.08613	1.4
108.05318	1.4
109.06551	1.1
117.07036	1.6
119.08589	3.7
121.06487	4.7
121.10146	1.9
123.08048	1.0
129.07076	1.2
131.08525	5.8
133.06493	6.4
133.10138	2.5
135.08008	1.2
143.08562	6.5
145.06491	1.5
145.10123	2.2
147.08049	2.1
149.05994	1.1
149.09625	3.8
151.07547	2.2
155.08565	2.0
157.10104	3.7
159.08051	5.2
161.09608	15.2
167.08591	1.7
169.10059	3.8
171.08054	1.5
173.09627	5.2
180.09300	1.3
181.10094	5.5
183.11655	2.2
185.09653	2.5
187.11198	2.2
192.09335	1.0
193.10115	5.7
194.11787	2.3
195.11760	7.5
197.09570	2.3
199.11176	1.0
205.10088	2.1
206.10925	2.4
207.11642	3.7
208.08824	0.9
209.09639	2.4
209.13264	2.3
211.11203	1.4
211.14806	1.0
213.12675	1.2
217.10092	2.0
219.11838	1.3
219.19064	1.1
221.13235	3.9
222.13797	1.8
223.11263	7.1
223.14809	5.1
225.12708	2.4
232.12524	1.9
234.90248	1.1
235.11223	2.4
235.14786	4.0
237.12740	2.0
237.16487	2.0
239.00783	1.0
239.14288	1.4
247.14816	2.4
249.12660	1.5
250.13481	2.3
251.10652	1.9
251.14282	5.7
260.11905	3.7
263.14355	6.2
265.15860	12.8
267.13879	1.1
275.14255	4.4
281.15329	4.3
283.16962	2.5
293.15256	10.9
311.16403	14.9
329.17599	1.9
353.17651	1.8
371.18674	8.2
410.19330	1.1
415.18964	3.6
433.20297	1.7
493.22113	18.4
535.22479	4.1
535.28723	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	535.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83362	4.6
55.69116	4.5
67.05500	8.3
69.07054	6.8
78.05784	5.1
79.05470	10.8
83.04982	5.0
83.09650	5.4
91.05463	20.8
93.07032	23.8
95.04972	13.4
95.08606	52.2
96.46539	5.5
97.06521	20.8
103.44498	5.3
105.03417	11.5
105.07038	56.0
107.04945	79.1
107.08620	38.1
108.05293	23.1
109.06527	10.5
109.10142	12.4
113.74393	5.3
117.07026	6.5
118.88143	4.8
119.08578	49.6
121.06499	31.8
121.10123	34.4
122.96718	5.8
123.04399	7.4
123.08064	68.8
123.11691	6.1
125.09680	9.5
129.06963	11.8
131.08551	49.0
133.06503	12.0
133.10124	44.9
135.08031	24.9
137.09610	24.5
141.06940	10.5
142.07803	7.1
143.08572	33.1
145.10127	39.1
147.08026	31.7
147.11668	11.8
149.05968	12.2
149.09631	32.7
151.03893	8.3
155.08534	29.2
157.06618	5.4
157.10107	40.4
159.08028	41.2
159.11705	11.5
161.09644	24.6
163.11218	6.1
167.08598	7.3
169.10129	53.1
171.08044	13.0
171.11665	13.0
173.09595	22.2
173.13243	9.3
175.07579	7.9
175.11136	13.4
179.08545	10.8
181.10124	28.1
183.11629	43.4
185.09573	7.5
185.13268	24.3
187.11177	9.7
191.10667	7.6
192.09323	8.0
193.10185	21.1
194.11757	37.2
195.11761	38.2
197.09578	39.1
197.13269	22.2
199.11212	12.5
201.12706	10.0
207.11626	27.0
209.13268	23.9
211.11205	26.7
215.10611	6.6
215.14297	5.8
219.11786	11.3
220.12512	9.7
221.13232	12.2
223.11148	12.5
223.14799	13.4
224.11938	7.6
225.12761	21.5
227.17987	7.9
229.12230	6.5
234.13983	9.8
235.14723	8.6
237.12787	24.1
239.14265	8.1
239.18114	10.3
247.11192	7.7
249.16414	39.2
250.13672	6.0
253.15857	26.3
262.13589	11.0
265.15857	10.4
267.17426	50.3
277.15833	33.4
283.16858	8.3
285.18457	12.0
295.16895	100.0
313.17899	58.3
331.19199	6.7
343.19049	5.7
355.18991	63.2
365.21182	12.1
373.19919	40.4
383.22064	40.2
415.21109	11.6
433.22397	25.0
475.23389	32.4
517.25555	8.1
535.25977	24.6
535.32983	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83362	4.6
55.69116	4.5
67.05500	8.3
69.07054	6.8
78.05784	5.1
79.05470	10.8
83.04982	5.0
83.09650	5.4
91.05463	20.8
93.07032	23.8
95.04972	13.4
95.08606	52.2
96.46539	5.5
97.06521	20.8
103.44498	5.3
105.03417	11.5
105.07038	56.0
107.04945	79.1
107.08620	38.1
108.05293	23.1
109.06527	10.5
109.10142	12.4
113.74393	5.3
117.07026	6.5
118.88143	4.8
119.08578	49.6
121.06499	31.8
121.10123	34.4
122.96718	5.8
123.04399	7.4
123.08064	68.8
123.11691	6.1
125.09680	9.5
129.06963	11.8
131.08551	49.0
133.06503	12.0
133.10124	44.9
135.08031	24.9
137.09610	24.5
141.06940	10.5
142.07803	7.1
143.08572	33.1
145.10127	39.1
147.08026	31.7
147.11668	11.8
149.05968	12.2
149.09631	32.7
151.03893	8.3
155.08534	29.2
157.06618	5.4
157.10107	40.4
159.08028	41.2
159.11705	11.5
161.09644	24.6
163.11218	6.1
167.08598	7.3
169.10129	53.1
171.08044	13.0
171.11665	13.0
173.09595	22.2
173.13243	9.3
175.07579	7.9
175.11136	13.4
179.08545	10.8
181.10124	28.1
183.11629	43.4
185.09573	7.5
185.13268	24.3
187.11177	9.7
191.10667	7.6
192.09323	8.0
193.10185	21.1
194.11757	37.2
195.11761	38.2
197.09578	39.1
197.13269	22.2
199.11212	12.5
201.12706	10.0
207.11626	27.0
209.13268	23.9
211.11205	26.7
215.10611	6.6
215.14297	5.8
219.11786	11.3
220.12512	9.7
221.13232	12.2
223.11148	12.5
223.14799	13.4
224.11938	7.6
225.12761	21.5
227.17987	7.9
229.12230	6.5
234.13983	9.8
235.14723	8.6
237.12787	24.1
239.14265	8.1
239.18114	10.3
247.11192	7.7
249.16414	39.2
250.13672	6.0
253.15857	26.3
262.13589	11.0
265.15857	10.4
267.17426	50.3
277.15833	33.4
283.16858	8.3
285.18457	12.0
295.16895	100.0
313.17899	58.3
331.19199	6.7
343.19049	5.7
355.18991	63.2
365.21182	12.1
373.19919	40.4
383.22064	40.2
415.21109	11.6
433.22397	25.0
475.23389	32.4
517.25555	8.1
535.25977	24.6
535.32983	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.1
56.66305	4.4
57.09182	4.1
58.14629	4.4
67.05498	9.1
67.34210	4.1
69.03419	5.5
69.07062	6.3
79.05498	8.4
80.70615	5.0
81.07046	8.2
81.45906	5.2
83.04963	7.9
91.05463	22.5
93.07024	20.7
95.04987	6.1
95.08594	22.9
97.06525	7.5
97.93958	5.1
99.04433	10.2
105.07017	33.3
107.04941	6.9
107.08581	28.3
109.06482	9.3
109.10118	5.2
111.04428	19.9
114.02761	4.2
114.09163	9.7
117.07005	9.3
119.08571	27.5
121.06485	23.8
121.10141	10.7
123.08061	29.5
131.08560	8.7
133.06569	6.4
133.10097	19.5
135.08029	26.9
135.11748	7.5
137.05966	50.3
137.09656	5.5
143.08615	17.0
145.06490	8.4
145.10117	22.3
147.08099	8.1
149.05980	9.3
149.09593	24.9
151.03900	8.3
151.07520	5.2
151.11192	19.6
155.08559	7.0
157.10141	8.1
159.08104	7.8
159.11580	16.1
161.09621	8.8
163.07568	10.3
169.10222	15.4
171.08061	5.5
171.11703	8.1
173.09637	10.8
173.13272	5.8
177.12769	7.7
181.10179	5.8
183.11699	10.1
185.09593	6.9
185.13130	5.4
187.11145	9.2
189.09189	7.2
189.12630	8.3
191.10641	35.8
197.13242	11.2
199.11182	6.9
201.09143	6.6
209.13255	7.0
211.11148	6.5
211.14923	6.0
213.12782	6.1
221.97523	4.8
225.12837	5.2
239.18007	7.4
249.16470	6.7
249.39055	5.5
252.15059	6.9
253.15993	7.5
267.17538	16.0
283.17004	6.2
285.18445	100.0
295.17010	32.6
304.61230	4.8
313.18024	87.5
331.19055	8.8
355.18893	28.5
370.94870	4.8
373.20160	28.4
406.22318	5.3
433.22241	11.4
535.19629	7.5
535.26654	7.5
535.41016	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	535.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61369	5.4
62.30274	5.3
79.05505	12.3
89.76164	6.5
91.05466	8.6
92.72689	6.8
93.07024	11.1
95.04965	9.4
95.08610	51.6
97.06500	25.8
105.07056	27.2
105.46326	7.7
107.08571	13.2
109.06476	10.6
117.07022	9.0
119.08572	16.8
121.06510	17.0
121.10133	32.1
123.04414	8.0
123.08067	100.0
131.08563	53.3
133.06454	15.8
133.10126	11.9
135.08087	16.1
137.09628	48.0
143.08575	12.7
145.10120	15.3
147.08076	14.6
149.06062	9.5
149.09633	33.3
152.12462	7.2
155.08638	7.2
157.10110	35.1
159.08043	36.8
161.09550	14.0
163.11256	7.4
169.10211	12.7
169.31909	7.4
171.08101	9.5
171.11670	8.4
173.09515	20.7
173.13194	8.9
175.11140	27.6
179.10667	7.0
181.10106	10.1
183.11678	16.8
187.11209	10.2
193.10117	13.3
194.10988	8.3
195.11667	15.5
197.13283	11.3
199.11084	8.2
207.11642	13.7
209.09642	6.8
209.13197	8.4
211.11142	13.9
213.12733	11.2
223.14804	9.6
225.12801	13.0
235.11208	8.3
235.14813	8.1
239.10741	9.4
241.15981	10.7
249.16339	27.9
253.12358	7.5
253.15741	14.7
262.13504	12.7
267.17383	63.9
277.15823	14.9
283.16736	25.3
285.18457	13.3
295.16949	98.0
313.17987	80.9
355.18948	76.0
373.20096	35.1
415.21063	37.6
433.22141	30.0
475.23364	60.5
535.25885	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	535.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68002	10.2
53.44384	9.0
64.87678	9.4
65.68604	9.4
65.71357	9.6
85.75478	9.5
91.05476	13.7
93.07051	14.9
95.04955	19.9
95.08600	13.2
105.07030	63.9
107.04932	27.7
107.08588	20.3
109.06554	12.8
109.10115	11.8
119.08604	43.3
121.06479	57.1
121.10156	18.1
123.08025	16.4
127.98465	13.1
128.37872	10.6
133.10149	21.8
145.10130	17.6
147.08035	19.7
147.11636	13.8
149.05992	12.7
157.10126	21.5
159.11681	22.8
171.11746	11.8
173.09615	12.2
175.11134	22.9
184.07341	100.0
193.10191	19.9
194.11769	14.6
207.11745	16.8
219.11710	13.3
225.12851	16.5
234.14067	19.0
240.58968	11.5
267.17374	15.7
277.15875	17.8
295.16824	44.2
365.03610	11.8
409.69778	12.2
535.32330	81.8
545.42365	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	535.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60767	4.9
53.90273	4.4
79.05499	10.5
83.04984	6.8
93.07042	9.1
95.04937	20.5
105.03387	97.1
105.07040	23.4
107.04932	12.8
107.08585	9.2
109.06517	6.7
109.10192	7.9
111.04452	5.8
119.08555	12.0
121.10181	8.1
133.06458	6.3
133.10092	13.3
135.08102	8.3
137.06035	7.5
137.09567	6.1
143.08562	10.5
145.10130	9.1
147.08171	5.8
147.09648	5.7
159.08063	9.3
159.11739	6.6
163.07396	7.5
167.08478	6.3
169.10127	10.2
171.07971	6.2
171.11685	10.3
177.12260	5.5
181.10127	11.1
183.11655	30.9
185.09573	7.5
187.11162	10.5
189.09166	6.2
192.09267	10.8
193.10126	27.4
194.11952	6.9
195.11710	10.3
197.13225	9.0
207.11707	23.5
209.09679	7.0
211.11142	13.2
221.13210	8.8
223.11217	14.0
223.14783	13.3
225.16309	7.6
239.14388	11.4
249.16571	8.5
251.14371	11.2
265.15836	9.7
267.17352	38.4
269.15265	6.8
272.77283	7.7
277.15839	10.0
283.16718	5.9
285.18460	8.8
293.15579	7.4
295.16913	100.0
305.16071	7.6
313.18008	76.4
331.19028	33.2
355.19070	28.1
373.20090	48.2
387.18661	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	535.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52020	5.8
57.03437	7.3
58.02413	6.4
67.05490	12.4
69.98900	8.0
79.05488	11.1
81.07052	16.3
83.08591	7.2
85.05879	6.7
86.69133	7.9
91.05482	11.8
93.07019	11.1
95.08601	67.0
97.06511	11.2
105.07044	26.9
107.08585	11.7
110.27659	8.0
119.08599	15.4
121.06513	9.9
121.10112	15.9
123.08049	89.8
125.09625	11.0
127.59725	7.3
129.06989	8.5
131.08571	44.1
133.06514	13.7
133.10069	12.5
135.08018	13.0
137.09598	41.4
143.08525	37.6
145.06526	10.3
145.10150	28.6
147.11699	11.0
149.09633	44.9
155.08549	11.5
157.10101	32.0
158.20747	7.0
159.08020	52.5
159.11682	17.5
161.09590	16.4
163.11293	8.1
169.10107	35.3
171.08054	10.2
171.11755	8.1
173.09628	30.4
175.11122	11.1
181.10077	9.7
183.11676	44.7
184.07336	28.2
187.11238	16.7
189.08965	8.0
189.12654	9.0
195.11816	11.8
197.09593	33.8
197.13235	12.0
199.11115	9.6
199.14899	7.3
207.11740	14.4
209.13234	10.7
211.11165	26.9
220.12440	9.5
223.14853	13.8
225.12720	14.3
225.16371	15.3
234.13943	9.9
235.14799	10.5
239.17958	10.7
249.16302	15.0
251.14435	10.9
253.15843	32.2
262.13480	9.3
267.17395	48.3
269.15378	8.8
277.15829	28.3
283.16943	12.6
285.18518	13.7
295.16956	100.0
313.17990	96.0
331.19150	13.2
355.18976	96.7
373.20120	42.4
433.22220	40.1
475.23001	12.2
535.25342	13.7
543.53448	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	535.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24292	1.8
53.57324	2.3
69.27822	2.4
72.20285	2.4
76.19550	2.1
79.05503	2.6
88.15538	2.1
91.81745	2.2
93.07032	3.0
105.07032	5.1
107.04969	12.6
107.57460	2.3
109.06530	2.6
117.07039	3.1
119.08585	3.4
135.08046	3.1
138.33301	2.6
143.08513	3.3
147.07999	2.5
157.10104	2.8
159.08098	4.5
161.09648	3.3
167.08577	4.7
169.10057	9.4
173.09521	2.6
179.08513	3.6
181.10172	9.6
183.11703	5.4
185.09627	3.3
193.10115	5.6
193.60750	2.7
195.11685	3.8
196.08768	2.6
197.09595	4.9
197.13287	4.0
199.11227	3.3
200.86592	2.6
204.09264	4.0
207.11748	4.2
209.13249	10.3
211.11168	9.5
211.14856	2.6
213.09058	3.1
213.12750	3.3
219.11647	4.7
222.10344	9.5
225.12756	4.9
237.12724	56.0
238.13313	3.5
239.13905	2.8
239.17990	2.6
249.16219	3.2
253.12250	5.3
253.15994	3.8
255.13733	15.0
267.17450	10.1
277.15909	13.2
285.18735	3.2
295.16904	22.2
313.17941	15.2
315.15909	100.0
331.19147	5.0
355.19031	4.5
357.16885	9.2
373.20007	4.6
408.93964	2.4
415.21112	5.2
415.58850	2.8
433.22214	13.7
475.23227	9.7
535.28796	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	535.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31143	3.0
55.02090	3.1
55.05498	5.1
57.07062	2.7
67.05479	5.2
69.07062	5.6
81.07056	5.0
91.05451	5.7
92.17941	8.0
93.07014	15.9
95.04947	18.9
97.06544	4.7
105.03383	100.0
105.07008	29.6
107.04974	4.7
107.08600	14.1
109.10155	6.5
118.81625	3.4
119.08548	16.4
121.06496	15.4
121.10139	14.5
123.08022	4.4
129.06947	4.1
131.08568	21.2
133.06483	21.3
133.10127	17.2
135.08043	7.3
135.11725	4.8
143.08533	23.5
145.06444	8.5
145.10077	4.0
147.08052	14.3
149.05952	4.9
149.09631	5.1
151.07489	4.3
153.03423	4.3
155.08585	16.5
157.10103	17.9
159.08064	26.8
159.11772	4.2
161.09633	24.9
163.07610	3.8
167.08612	8.2
169.06462	4.3
169.10110	20.6
171.08026	8.7
171.11697	7.3
173.09657	6.3
175.07497	3.8
179.08606	6.6
181.10129	18.4
183.11722	20.0
185.09555	13.9
185.13271	4.2
187.11255	6.6
191.08664	3.6
192.09341	5.7
193.10103	19.9
195.11696	22.4
197.09628	23.6
197.13298	6.5
201.12732	5.2
206.10812	8.2
207.11629	27.4
209.09636	5.6
209.13226	17.4
211.11148	17.7
220.12410	7.5
221.13263	14.7
223.11165	18.2
225.12738	8.6
225.16359	4.9
229.10229	5.1
230.11053	4.1
234.14052	8.2
235.11154	7.6
235.14870	14.0
236.12016	4.6
237.12766	7.7
237.16380	5.6
239.10678	4.4
247.11263	6.4
249.16403	17.6
251.14311	5.4
253.12277	5.7
253.15903	5.1
259.14819	4.1
262.13763	4.3
265.15857	19.5
267.17441	22.1
277.15866	37.7
281.15482	4.5
293.15286	13.0
295.16910	72.1
311.16437	8.2
313.17819	25.6
337.17899	4.6
355.19077	35.9
371.18671	13.4
373.20126	14.9
415.20517	6.2
442.52585	3.7
444.67578	4.4
475.23071	4.6
493.22324	22.3
535.24628	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	535.254
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67469	2.4
67.05508	4.3
69.03449	2.1
69.75101	2.1
73.35353	2.3
79.05479	2.1
81.07037	3.5
83.04987	2.4
85.06535	2.7
85.80744	2.1
89.55299	2.1
91.05473	11.4
93.07024	4.7
95.04935	5.1
95.08609	3.8
105.07015	16.5
107.08575	11.4
109.10146	3.6
117.07027	2.8
119.08578	13.6
121.06472	9.9
121.10115	11.3
121.25111	2.6
129.06995	4.7
131.08556	14.6
133.06479	4.9
133.10110	8.4
135.08040	3.4
137.09604	3.6
141.06885	3.2
143.08583	16.3
145.06471	9.4
145.10094	12.6
147.08049	8.8
149.09560	3.0
153.06979	2.8
155.08562	13.8
156.09299	2.7
157.10141	13.5
159.08038	13.2
159.11751	3.4
163.07521	4.5
165.06990	2.8
167.08553	4.6
169.10132	11.6
171.07948	3.9
171.11688	15.8
173.09637	5.0
173.13199	3.1
175.11143	3.6
179.08604	4.8
181.10153	13.1
182.10841	3.1
183.11606	17.2
185.09639	8.9
185.13191	2.4
187.11177	3.7
192.09361	3.6
192.51593	2.2
193.10146	12.1
194.10880	2.2
195.11696	11.0
197.09644	4.4
197.13278	12.8
199.11150	4.3
201.12764	4.0
206.10869	3.0
207.11667	15.7
208.12433	4.2
209.13301	10.8
210.10361	3.6
211.11223	7.8
219.11731	3.4
220.12509	4.3
221.13422	2.3
223.14835	10.6
225.12627	7.7
225.16277	3.2
234.14030	5.2
235.14737	3.2
239.17929	3.0
247.14738	2.6
249.16345	11.2
251.14365	4.0
262.13751	3.9
265.15836	3.6
267.17468	12.2
277.15710	4.5
283.17017	3.2
295.16992	16.6
313.17886	15.0
355.18872	2.7
373.20038	3.6
433.22153	100.0
559.20593	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	535.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62890	4.9
79.10085	4.6
80.67377	4.5
104.99464	4.6
105.07004	6.9
107.08587	7.9
119.08557	6.3
123.08095	5.2
135.08023	20.1
141.39258	5.6
145.10034	5.5
158.53528	5.5
160.05792	4.9
161.09679	7.0
199.11241	5.0
265.15927	8.0
283.16806	5.5
295.16959	34.4
313.17908	11.2
323.09454	4.8
373.20441	9.3
396.23929	5.3
433.22021	5.8
535.25031	100.0
559.68018	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	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.6
61.02929	6.4
66.54578	0.7
67.55702	0.8
68.63966	0.6
69.03145	0.8
69.03436	12.1
71.04980	1.3
73.02912	3.3
81.03406	3.4
82.27812	0.8
83.01328	0.8
85.02907	100.0
87.04477	1.7
87.17064	0.8
91.03948	5.3
95.03059	0.8
97.02893	28.6
99.04460	4.4
109.02876	8.5
109.06528	13.3
127.03901	27.6
135.04448	1.0
145.04958	31.0
153.05470	52.8
163.06020	11.9
172.81804	0.9
177.09111	9.7
195.10170	38.9
195.11964	1.7
289.09109	1.6
324.12814	1.0
325.11227	3.3
357.15396	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	536.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	2.1
61.93778	1.5
63.70177	1.8
64.89829	1.9
77.32983	1.9
80.76256	1.8
81.07038	2.6
91.85760	1.8
93.07018	2.4
105.07055	2.7
107.08603	4.7
109.06503	2.8
114.20947	1.9
119.08563	9.8
121.10135	3.6
123.08044	3.0
131.08618	3.0
135.08041	14.0
143.08611	2.1
149.09634	4.5
159.07964	2.1
161.09624	9.2
163.11244	2.2
169.10051	1.9
173.09628	3.6
177.08917	2.3
183.11633	2.0
195.11746	2.4
199.11311	2.7
211.11197	2.1
239.14330	9.1
251.17946	2.2
253.15895	3.0
256.14682	2.6
257.15359	100.0
269.18903	3.8
273.60114	2.2
279.17462	14.6
281.15253	4.5
297.18436	35.3
299.16385	16.1
359.18607	23.8
399.21814	2.5
459.23569	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	536.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28583	2.6
54.50514	2.6
55.05500	3.0
64.95814	3.2
67.05493	4.4
69.59958	3.1
76.67979	3.1
79.05486	12.5
80.65200	3.1
81.07056	16.1
91.05479	8.0
93.07045	23.5
95.04967	5.4
95.08597	17.8
105.07024	16.6
107.04974	41.2
107.08593	27.1
109.06524	3.8
109.10159	20.6
110.98990	3.4
117.06995	6.4
119.08578	50.7
121.10156	20.0
123.11664	3.9
131.08569	18.5
133.10129	100.0
135.08049	92.6
135.11653	5.1
142.10880	3.4
143.08537	7.9
145.10103	59.0
145.52356	3.5
147.11673	19.8
149.05992	5.1
155.08583	5.7
156.09277	3.2
157.10146	15.2
159.11755	22.5
161.09615	12.5
163.11139	25.4
167.08556	3.6
169.10133	14.0
171.11707	26.1
173.13167	4.1
181.10109	6.9
183.11678	16.9
184.07367	3.3
185.13220	4.4
187.11169	4.6
194.11945	28.7
195.11702	19.7
197.13237	17.2
209.13255	24.0
223.14745	22.2
265.19513	93.3
283.20535	43.8
301.21582	4.3
325.21356	12.4
385.23663	15.9
417.26398	21.8
536.32446	52.1
541.35858	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	536.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26056	5.6
62.13939	6.7
62.61320	6.8
68.08025	6.8
78.69375	6.8
79.05484	7.5
92.18612	14.1
93.07026	26.5
95.08575	13.0
97.22157	6.8
105.07013	11.3
107.08633	8.8
109.10145	9.1
117.07018	10.6
119.08581	41.5
131.08664	7.8
133.10129	100.0
135.08070	9.8
135.09763	6.9
143.08572	8.5
145.10164	55.3
157.10098	9.0
161.09554	13.1
163.11198	13.3
169.10135	14.5
171.11667	10.8
173.13246	11.9
181.10106	10.4
185.13228	7.9
186.53030	6.9
209.13329	32.2
235.14862	6.6
265.19559	88.8
283.20526	10.2
385.23776	36.5
537.19507	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	536.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55906	1.3
55.05539	1.9
57.66609	1.5
61.20362	1.7
67.05480	8.0
68.85060	1.9
78.21464	1.8
79.05484	2.7
81.03415	2.4
81.07066	3.9
81.27003	1.7
89.86192	1.7
91.05468	8.1
93.07030	17.9
95.04968	7.8
95.08609	13.9
105.07066	12.4
107.04969	2.6
107.08585	13.2
109.10159	3.9
117.07014	7.6
119.08582	45.2
121.10126	7.6
130.07762	2.1
131.08553	7.6
133.10132	100.0
135.08066	7.2
135.11673	4.0
137.09616	3.5
143.08585	10.6
145.10120	53.8
147.11671	12.6
157.10167	9.2
159.11668	10.6
163.11176	22.6
165.16803	1.6
169.10133	10.8
171.11641	12.2
173.13312	10.1
181.10101	9.2
182.10956	1.7
183.11667	4.1
185.13280	7.3
194.10800	2.3
195.11678	11.2
197.13260	6.6
208.12474	1.9
209.13277	26.9
211.14783	1.9
216.85037	1.8
223.14763	19.6
237.16414	3.1
250.17223	3.2
265.16727	2.5
265.19513	62.2
283.20596	7.8
325.21616	3.6
381.57272	1.8
385.23758	16.4
476.29855	3.9
532.15259	1.8
536.32202	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	536.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48215	2.0
58.77314	1.9
61.02925	2.4
77.38422	2.1
79.05513	2.6
81.03428	2.7
89.94965	2.2
91.05499	4.7
93.07035	8.7
95.08637	3.5
105.03352	3.2
105.07029	14.3
107.08595	30.8
109.10136	4.5
119.04949	5.3
119.08580	15.7
121.10178	17.4
131.08574	12.6
133.06509	10.7
133.10127	14.7
135.08051	100.0
138.64926	2.8
143.08588	12.6
145.10123	5.9
147.11615	2.5
157.10083	3.9
159.11667	4.8
161.09605	43.0
171.11650	2.6
179.10724	9.3
181.10132	3.2
183.11609	4.4
195.11644	5.1
197.13239	4.0
237.16466	4.4
253.19751	3.6
281.18985	12.9
283.20731	3.7
299.20001	19.1
341.21011	23.3
401.23151	3.4
517.41077	2.5
536.31543	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	536.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19779	0.8
60.23514	0.7
69.67970	0.8
77.77168	0.8
79.05486	5.5
91.05473	0.9
105.03394	1.3
107.04954	100.0
119.08533	1.2
134.09665	3.8
149.05989	24.7
184.07469	1.1
185.13176	1.1
194.11769	85.1
208.19360	1.0
536.33740	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31833	0.8
60.62857	0.9
64.69764	1.1
71.69788	0.9
72.96682	0.8
77.06236	0.9
79.05481	6.6
80.31630	1.0
84.07255	1.0
85.96930	1.0
94.63770	1.0
96.76108	0.9
107.04955	100.0
129.38159	1.1
134.09686	1.7
149.05971	16.8
151.59966	1.1
194.11755	96.5
536.33746	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31833	0.8
60.62857	0.9
64.69764	1.1
71.69788	0.9
72.96682	0.8
77.06236	0.9
79.05481	6.6
80.31630	1.0
84.07255	1.0
85.96930	1.0
94.63770	1.0
96.76108	0.9
107.04955	100.0
129.38159	1.1
134.09686	1.7
149.05971	16.8
151.59966	1.1
194.11755	96.5
536.33746	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25892	0.8
63.95173	0.8
73.18478	0.8
79.05494	6.6
99.67010	0.9
107.04955	100.0
134.09679	1.2
149.05975	22.7
154.43982	0.9
157.80582	0.9
159.11809	1.1
194.11760	97.1
330.52966	1.1
378.19583	1.2
400.34329	1.3
449.85696	1.0
536.33636	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	536.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
78.41160	0.8
79.05481	5.3
107.04958	96.8
125.60020	0.9
126.22603	1.0
134.09631	2.2
144.25073	1.0
149.05986	17.8
155.98563	0.9
194.11766	100.0
346.37799	0.9
536.33734	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31494	0.9
62.90490	1.0
64.71656	1.0
76.40001	1.1
79.05494	6.8
88.75658	1.1
102.99370	1.0
104.10837	1.3
105.07038	1.0
107.04959	100.0
107.08583	1.3
119.08529	1.5
121.33289	1.5
133.10173	1.3
134.09633	5.8
138.92191	1.2
149.05984	24.7
166.01503	1.1
184.07425	4.8
194.11777	83.2
265.19647	1.4
423.41943	1.2
536.33746	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92901	2.9
55.05501	2.4
56.61547	2.8
67.05502	7.3
69.03436	7.4
79.05496	6.3
81.03410	27.7
81.07050	27.2
83.08632	4.6
88.49067	2.9
91.05469	13.3
92.17954	3.6
93.07034	52.5
95.04960	31.6
95.08589	21.7
103.30854	3.3
104.10720	4.7
104.83361	2.8
105.07045	26.1
107.08597	44.8
109.10155	37.4
117.07002	5.9
119.08562	38.4
121.10131	31.1
123.11700	3.0
131.07455	2.9
131.08548	13.9
133.06500	4.5
133.10127	96.8
135.08049	100.0
135.11713	6.6
137.09535	3.9
143.08563	12.7
145.06461	6.9
145.10112	47.1
147.11697	18.4
149.13188	4.4
152.90779	2.9
156.09117	3.1
157.10132	4.8
159.11671	12.7
161.09598	82.5
163.11218	28.8
170.14322	2.9
171.11676	7.5
173.13278	5.1
184.07361	21.2
185.13347	5.6
189.12610	4.4
195.11740	4.7
209.13329	4.6
213.12869	3.9
213.16534	4.5
215.14346	4.9
227.14337	4.3
241.01482	3.4
255.20947	4.6
265.19543	6.8
265.25150	3.6
283.20554	63.5
293.58145	3.0
301.21579	3.4
339.28723	4.9
343.22665	45.3
445.29166	26.6
486.82742	3.3
536.36066	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	536.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87195	3.7
67.05498	7.3
76.95490	3.7
79.05505	7.5
80.29120	3.4
81.03423	25.4
81.07050	18.5
85.55478	3.0
91.05462	15.0
91.78075	3.4
93.07050	37.6
95.04963	23.0
95.08566	14.1
100.11240	12.1
105.07030	17.6
107.08605	36.1
109.06495	3.3
109.10153	51.0
119.08580	41.9
121.10129	24.5
130.07762	3.9
131.08530	4.8
133.10118	100.0
135.08051	64.5
135.11644	4.2
143.08574	4.7
145.06502	5.7
145.10120	49.4
147.08073	4.0
147.11678	8.2
149.09604	3.5
157.10077	13.8
159.11679	14.1
161.09596	75.6
163.11162	27.8
169.10138	4.6
171.11673	16.9
173.13226	16.0
181.10081	5.8
181.38968	3.2
183.11707	8.3
184.87485	3.3
185.13214	7.0
195.11708	6.5
197.13173	5.5
198.08951	23.4
208.12553	3.7
209.13275	16.1
223.14919	12.3
227.14331	5.4
248.53040	3.4
249.75128	3.2
265.19568	43.1
267.07693	3.6
283.20514	51.4
338.26004	3.9
343.22678	37.6
385.23462	5.7
431.27994	33.4
536.35864	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	536.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78575	2.2
55.05510	13.4
56.03851	2.0
57.03430	6.2
57.07059	16.9
61.02919	3.0
67.05511	27.1
67.66539	2.4
69.07070	52.0
71.08621	11.5
74.59766	2.9
79.05492	10.5
81.07047	47.1
83.08141	4.1
83.08615	53.7
85.02898	3.3
85.06544	2.2
85.10172	6.2
86.24493	2.2
92.18519	4.5
93.07049	23.3
95.04976	2.9
95.08618	49.5
97.06512	6.1
97.10162	38.3
100.74962	2.7
104.10742	4.8
107.08588	20.6
107.59642	2.7
109.10150	37.0
111.08074	11.0
111.11694	16.2
121.10133	59.3
123.11690	12.5
135.08102	3.2
135.11684	52.1
137.13326	2.4
139.11154	5.1
149.13234	22.7
151.14778	3.2
165.16351	3.3
174.20587	2.4
184.07397	3.5
245.82198	2.5
247.24132	23.3
265.05637	2.8
265.25211	71.4
277.80792	3.0
283.20480	4.6
283.26315	16.3
339.28918	88.3
357.29971	100.0
468.56573	2.8
501.33514	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	537.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27914	9.3
73.02895	56.7
76.51611	11.3
81.07059	15.9
91.05482	24.2
93.07045	78.7
95.04948	49.4
95.08591	22.4
97.02892	16.0
105.07027	88.3
107.04929	21.7
107.08595	27.3
112.20966	14.9
115.03912	17.6
119.08570	84.6
121.06481	81.5
121.10133	100.0
123.08122	15.2
129.07007	14.7
131.08574	45.8
133.06462	23.7
133.10126	21.8
135.08044	20.2
145.10205	19.4
147.08032	20.7
149.05997	86.0
149.09622	77.9
157.10127	24.5
159.08012	17.1
161.09476	16.9
163.07457	15.1
165.39383	12.6
177.09154	15.7
184.07341	14.8
194.11906	14.9
219.58174	13.8
241.16035	12.6
281.15466	13.2
327.15747	51.8
345.16864	28.8
441.18677	24.1
459.20093	30.6
477.21393	26.0
501.21136	63.5
537.23224	51.8
537.34216	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	537.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43091	0.8
65.64711	1.0
93.07042	1.2
95.04960	7.8
105.03397	100.0
105.04529	4.5
105.07021	4.6
117.07041	1.0
119.08558	1.3
126.77484	0.9
131.08521	1.0
133.02319	1.1
133.06473	1.4
135.08040	1.9
137.11497	0.8
143.08493	1.0
155.08545	1.6
169.10135	8.2
173.09531	1.2
183.11710	3.8
193.10210	1.3
199.11180	1.1
207.11752	2.0
209.09621	0.9
219.11713	1.2
225.12773	1.7
235.14752	1.2
236.98668	1.0
237.12592	1.3
249.16425	3.6
251.25902	1.2
267.17334	4.5
277.15784	1.8
295.16931	8.3
313.17944	1.8
373.19830	1.2
386.58090	1.1
477.22958	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	537.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
67.05495	3.0
69.07067	4.5
71.83060	1.7
75.89317	2.0
77.03915	2.2
79.05485	2.3
81.03436	2.1
81.07069	4.8
81.25272	2.0
83.08627	2.1
91.05467	3.7
92.67540	2.3
93.07032	3.2
95.04944	13.0
95.08588	3.3
101.60134	2.1
102.52002	1.9
105.03387	100.0
105.04480	7.1
105.07032	9.6
107.08617	3.5
109.10169	3.4
115.05309	2.0
117.06995	2.5
119.08557	9.3
121.10157	2.9
123.08136	3.7
129.06952	4.8
131.08556	8.8
133.10114	11.4
134.10515	2.2
135.08057	4.2
137.09592	8.1
141.06976	9.2
142.07790	2.5
143.08559	30.6
145.06519	2.6
145.10097	11.3
147.08034	3.1
147.11739	2.8
155.08548	22.7
157.10088	10.9
159.08052	8.3
159.11700	4.1
161.09630	4.1
165.06989	3.0
167.08559	11.3
168.09357	3.0
169.10126	24.0
171.08102	17.5
171.11667	11.4
173.09538	3.3
179.08530	11.1
180.09261	2.7
181.10054	17.7
182.10829	3.3
183.08133	3.5
183.11719	16.1
185.09650	3.9
187.11176	3.6
192.09370	4.0
193.10144	8.1
194.10893	9.4
195.11705	15.9
197.09613	11.1
197.13268	11.7
199.11243	4.9
207.11661	18.3
208.12309	2.5
209.09618	3.1
209.13226	10.0
210.13930	2.5
211.11150	10.1
213.12694	3.4
215.10611	8.3
219.11726	3.9
220.12492	3.1
221.13185	4.6
222.10449	2.3
223.11214	8.5
223.14784	4.9
225.12691	16.9
225.16270	4.7
227.10974	2.2
227.14267	3.5
234.10501	2.1
234.14113	3.2
235.11159	7.9
235.14691	3.4
237.12698	8.2
239.14278	3.5
239.17938	3.4
241.15668	2.0
247.11151	2.3
249.16374	12.7
251.14192	3.2
253.12151	5.0
253.15749	8.2
265.15906	4.1
267.17377	17.5
269.15363	7.5
277.15851	9.9
283.16946	3.0
295.16885	27.6
313.17978	20.5
355.19061	3.6
373.20148	8.2
386.24286	2.1
495.23923	4.2
507.57492	2.0
537.24011	7.3
537.31598	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	537.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03938	2.7
55.05502	1.0
56.51418	0.6
58.29363	0.5
62.12094	0.6
69.03439	0.8
69.07047	2.6
77.03919	1.1
79.05477	0.7
81.07059	0.9
83.05028	0.9
83.08605	2.6
89.51379	0.6
91.05475	2.4
92.17815	0.6
93.07024	1.2
95.04968	8.6
95.08649	0.8
105.03393	100.0
105.04522	3.9
105.07025	3.3
107.04960	2.4
107.08596	2.7
109.06522	1.0
109.10190	0.8
109.42751	0.7
119.08568	1.5
121.06499	0.8
121.10138	1.1
128.06255	0.7
129.07007	0.9
131.08594	3.4
133.02809	0.7
133.10127	2.5
135.08138	1.1
143.08582	6.2
145.06540	0.8
145.10135	3.0
147.11711	0.7
149.05951	0.9
155.08539	5.1
156.09377	1.1
157.10181	5.4
159.07997	2.6
159.11774	0.9
161.09573	0.7
165.06938	1.2
167.08563	1.2
169.10130	9.3
169.18408	0.7
171.08067	4.6
171.11670	5.8
173.09663	2.3
179.08621	1.5
181.10112	2.8
183.08086	0.7
183.11662	3.9
184.08855	1.0
185.09619	2.9
192.09314	1.2
193.04956	0.8
193.10100	1.3
195.11690	4.5
197.09534	5.2
197.13313	1.2
199.11163	6.8
207.11719	1.4
208.08942	1.0
209.09560	0.9
209.13254	1.3
210.10313	0.7
211.11171	3.0
219.11688	1.2
220.08928	0.7
221.13249	0.9
223.11177	4.8
225.12810	4.5
231.17474	0.6
235.11044	1.1
235.14694	1.1
237.12828	1.2
239.10710	0.8
241.12164	1.2
247.11108	0.6
249.16516	1.1
251.14244	2.8
253.12260	1.4
253.15875	2.3
265.15875	2.6
266.74228	0.7
267.17358	3.8
269.15405	2.2
277.15836	3.3
283.16827	1.1
285.18506	0.9
295.16925	10.0
313.17862	5.5
321.14917	0.6
355.00336	0.7
435.21680	3.2
483.99838	0.7
495.23883	1.1
537.24890	5.0
537.33649	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	537.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.33308	0.9
60.85437	0.9
65.77470	0.8
67.05509	1.9
69.07063	2.0
72.47013	1.0
77.03899	1.2
79.05511	1.7
81.07039	1.2
83.08614	1.9
90.08208	1.0
91.05450	1.9
93.06985	1.4
95.04980	8.5
95.08555	1.1
101.34860	1.0
105.03397	100.0
105.04491	3.4
105.07039	1.5
107.04940	1.1
109.10195	1.5
121.10145	1.2
128.06215	1.6
131.08536	1.5
132.99490	1.0
143.08536	6.1
145.10114	1.5
155.08560	1.5
156.09390	1.2
157.10088	1.6
161.09488	1.4
167.08582	1.9
169.10085	9.8
171.08044	1.6
171.11679	3.9
173.09668	1.3
181.10107	1.3
183.11652	2.2
185.09607	2.4
193.05025	4.4
193.10136	1.6
195.11665	1.2
196.12520	1.1
197.09612	6.5
197.13217	1.6
199.11125	8.0
207.11732	1.4
209.09561	1.4
209.13499	1.2
211.11198	2.3
223.11093	1.7
225.12819	1.7
249.16298	1.8
253.12135	1.3
265.15866	1.6
267.17453	2.2
269.15302	2.3
277.15842	1.2
295.16888	9.0
313.17993	5.4
435.21756	1.9
495.23737	1.3
519.31812	2.1
537.24713	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	537.2697
Annotation	Ajugachin A
Peak:m/z	Relative Intensity
51.38679	6.5
67.05501	11.9
72.15307	8.2
79.05498	11.6
91.05479	45.3
93.07047	46.0
95.08601	16.3
105.07032	83.9
107.08591	70.2
109.06526	13.0
109.10164	19.7
119.08579	59.5
121.06519	9.0
121.10152	55.6
123.08081	11.0
131.08586	70.2
132.40010	8.4
133.06537	11.7
133.10127	100.0
135.08051	14.8
135.11646	11.0
143.08537	38.1
145.10141	37.2
147.08083	20.9
149.09599	41.4
151.07516	33.0
155.08537	12.7
157.10107	45.8
159.08043	32.4
159.11684	35.1
159.54962	11.2
161.09569	11.3
169.10139	34.7
171.08014	8.0
171.11639	18.4
173.09587	20.9
173.13243	15.4
175.11214	11.6
179.08580	13.4
180.73013	8.8
181.10175	20.6
183.08034	8.8
183.11690	16.0
185.09604	14.5
185.13240	12.5
193.10081	31.8
194.10925	16.0
195.11711	44.2
197.13243	17.8
199.11241	11.1
206.10835	16.5
207.11668	14.2
209.13329	70.3
211.11209	9.3
211.14894	16.4
220.12358	10.8
221.13182	16.1
222.13933	11.4
223.11273	16.2
223.14822	10.5
227.10600	9.6
231.11655	32.5
234.13940	10.0
237.12820	13.2
239.14322	16.2
246.14017	32.6
249.16391	18.0
251.14282	9.8
251.17912	56.0
253.15898	11.5
261.16397	43.1
267.17450	18.7
269.19037	17.9
279.17438	86.8
297.18573	93.0
315.19608	20.1
339.19662	16.9
357.20642	55.9
399.21896	16.9
417.22559	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	537.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73195	8.9
60.78070	11.0
61.91349	10.7
64.78468	10.8
67.05523	10.8
67.76320	10.2
70.52484	11.7
74.07518	9.3
79.05509	14.1
81.07057	16.5
93.07024	18.9
95.08604	12.1
105.03382	26.0
105.07021	69.5
107.08585	22.0
119.08574	54.3
121.06510	17.7
121.10120	14.5
123.08061	15.7
131.08548	46.8
133.06491	20.6
133.10126	25.8
143.08586	18.0
145.10126	43.2
147.08044	26.7
151.07507	17.2
156.09299	14.3
157.10143	28.5
159.11732	18.9
169.10100	24.6
171.11694	21.2
173.13199	16.5
181.10179	25.8
183.11714	60.2
185.13333	19.7
192.09344	14.3
193.10110	22.0
195.10042	12.8
195.11682	68.5
197.13263	46.9
207.11771	44.0
209.13242	28.0
211.11160	13.3
211.14827	16.2
220.08841	16.7
220.12515	21.6
221.13211	17.4
223.11244	13.5
223.14911	20.4
231.11765	16.6
235.11342	17.9
235.14769	48.9
237.16396	26.0
246.14023	46.1
249.16422	53.1
251.17854	28.8
253.15698	18.9
261.16336	52.6
264.15274	11.8
267.17377	13.4
269.19016	16.6
279.17456	79.0
297.18561	100.0
315.19662	15.1
357.20746	26.9
519.24011	22.1
526.01917	13.8
537.24774	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	537.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
75.16885	9.1
79.05499	17.2
81.07058	9.8
83.08625	11.5
91.05490	13.4
93.07074	22.2
95.08629	18.5
105.03356	18.0
105.07062	83.7
106.93430	9.6
107.08575	47.7
109.06491	10.4
109.10152	22.0
119.08596	46.3
121.06497	11.7
121.10165	45.2
123.08050	21.3
129.07011	12.3
131.08560	50.7
133.06496	17.8
133.10127	93.2
135.08133	10.1
135.11594	12.5
143.08592	20.6
145.10114	35.0
147.08043	39.4
147.11653	22.9
149.09651	52.8
151.07526	23.7
157.10133	18.4
157.37015	11.0
159.08023	39.7
159.11659	21.9
161.09622	15.3
167.08601	12.8
169.10081	41.6
170.10954	10.0
171.08081	11.3
171.11711	40.9
173.09604	13.7
173.13222	13.6
177.09164	11.9
179.08560	18.3
181.10159	20.8
183.11717	39.9
185.09537	17.2
193.10165	39.0
195.11720	37.7
197.13272	14.6
199.11172	12.2
206.10886	16.0
207.11783	37.4
209.13301	59.5
220.12416	11.5
221.13297	41.6
223.11218	10.9
223.14861	12.9
225.12776	14.4
225.16371	12.0
227.10750	13.2
231.11739	15.3
239.14270	20.2
249.16565	18.7
251.17923	44.9
261.16360	51.4
267.17535	20.2
279.17465	79.9
297.18451	100.0
315.19516	12.4
357.20639	52.8
375.21759	11.5
417.22546	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
58.62122	0.5
79.14320	0.6
108.84625	0.6
126.65463	0.6
128.33507	0.6
184.14526	0.6
185.04135	0.8
203.05280	1.0
259.07971	1.0
521.36505	0.6
537.30341	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	537.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23287	0.7
56.72012	0.5
90.62947	0.6
102.86038	0.7
105.03378	3.5
122.71588	0.7
155.17834	0.7
185.89937	0.6
195.11490	0.6
205.73990	0.6
301.20288	0.7
345.53513	0.7
537.30328	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	537.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68914	3.4
53.03662	2.8
55.05515	7.9
58.11472	3.2
67.05493	6.5
69.03406	5.7
69.07050	15.3
77.31429	3.3
77.51062	3.7
79.05497	7.5
81.03357	4.1
81.07060	42.9
85.02886	15.6
91.05484	5.8
93.07033	21.3
95.04988	4.3
95.08601	42.7
97.06469	4.2
97.10177	5.8
98.07071	3.3
105.00003	3.5
105.03297	3.8
105.07030	34.5
107.04919	5.9
107.08595	36.8
107.66586	3.3
109.10154	23.1
119.04901	4.3
119.08604	29.1
121.10115	25.3
123.04441	7.7
123.08034	4.5
123.11699	23.2
125.09640	5.5
127.03873	5.0
131.04919	14.3
131.08630	6.2
133.10139	17.7
135.08023	6.0
135.11684	21.0
137.05969	31.7
145.10115	15.9
147.11690	36.0
149.09599	5.1
149.13281	16.5
151.03902	21.1
151.11168	6.3
157.06519	4.4
159.11705	15.8
161.05986	4.9
161.13240	29.9
162.13603	18.4
163.03874	4.9
163.14879	5.0
173.13274	9.0
179.06940	3.8
179.14290	6.5
180.14671	17.7
185.13188	4.6
191.14346	14.1
209.15344	15.0
214.62296	3.8
225.14755	6.8
226.15207	8.9
227.16452	19.9
285.22040	4.4
303.23199	33.5
309.11310	5.4
321.24139	25.7
323.12827	5.9
339.25351	25.7
341.13812	4.4
357.26385	19.4
382.67081	4.0
537.27545	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	537.3423
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
55.05510	13.7
59.70491	3.2
63.57942	3.1
69.07043	17.6
72.08120	3.5
81.07051	8.3
82.65701	3.8
83.08640	29.0
85.55090	3.2
88.75561	3.5
91.05479	5.0
92.18565	4.0
93.07030	26.0
95.04952	29.2
95.08613	46.4
96.05791	4.0
97.06512	15.5
98.55007	3.6
101.19939	3.7
102.16877	3.2
105.07021	8.7
107.08582	27.2
109.10155	7.4
111.08067	14.7
111.11702	18.2
113.09637	7.4
119.08547	8.0
121.06497	8.1
121.10133	41.5
123.08054	13.9
123.11758	4.2
131.08604	7.7
133.10123	16.1
135.08069	4.4
137.05972	5.2
139.11163	18.0
143.08549	5.1
145.10106	20.8
147.08020	4.7
147.11705	7.0
149.09676	6.3
151.11102	3.4
154.57822	4.4
157.10097	5.9
159.11658	8.9
161.09558	4.4
161.13223	15.6
163.14804	6.2
173.09602	20.4
173.13249	18.0
179.14290	21.6
183.11720	4.5
187.11165	8.9
191.10651	24.8
191.14250	4.5
197.13290	7.1
199.14815	6.5
215.14233	7.9
219.13805	5.9
225.12729	5.5
231.13757	5.4
233.15466	4.3
267.17468	4.8
283.16907	5.6
293.19000	6.0
301.17792	3.6
303.19547	18.8
311.20139	7.7
319.18695	3.7
329.21075	20.2
353.21246	5.8
357.20157	6.7
371.22281	8.4
419.24203	7.3
423.28940	23.0
441.29916	69.4
459.31076	100.0
501.31851	15.8
519.33026	73.7
537.34094	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	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05519	12.2
57.03443	10.3
57.07085	27.3
57.40332	1.1
62.84208	1.2
67.05514	30.3
69.07064	13.5
71.08630	20.4
74.70750	1.2
76.72739	1.3
79.05499	45.5
81.03426	2.4
81.07059	32.8
83.04972	9.9
83.08622	10.5
85.06528	1.4
85.10183	13.6
91.05490	21.0
93.07043	36.9
95.04987	9.1
95.08610	28.5
95.09213	1.9
97.10165	7.7
105.07025	21.8
106.44650	1.6
107.04952	1.7
107.08592	7.9
109.06507	2.5
109.10143	9.5
113.09534	1.4
117.06993	2.4
119.08577	18.5
121.10166	1.5
123.08090	1.6
123.11739	1.6
129.06996	11.8
133.10112	6.9
143.08525	3.3
145.10112	5.8
147.08029	1.6
147.11678	18.8
161.13266	6.0
171.11679	13.8
189.12788	2.1
207.13799	9.1
281.17484	58.5
313.27280	30.6
519.40454	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.13963	1.7
55.05512	14.2
56.85449	1.9
57.03433	9.9
57.07080	38.5
60.69756	2.1
67.05511	36.0
69.07069	10.3
71.08632	28.1
76.12341	2.1
79.05492	54.6
81.03400	5.7
81.07065	44.9
83.04974	9.4
83.08612	15.9
84.18826	2.2
85.06554	2.2
85.10181	16.6
91.05483	35.6
93.07049	54.1
95.04951	13.0
95.08597	40.2
97.10166	9.9
99.04487	2.4
105.07037	29.4
107.08591	16.0
109.10137	11.0
117.07123	2.6
119.08607	21.2
121.10114	3.7
123.08064	3.5
129.07007	10.3
133.10120	11.4
143.08586	4.5
145.10144	5.9
147.11670	33.5
152.26381	2.3
161.13258	9.7
171.11652	18.8
189.12732	3.2
206.00536	2.6
207.13837	14.6
281.17450	45.6
313.27365	48.8
444.64676	2.6
519.40430	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94297	2.4
55.05509	6.5
57.03434	3.8
57.07091	20.7
57.12196	2.7
67.05509	23.9
69.07065	4.6
71.08612	15.2
79.05489	26.1
81.07059	20.5
83.05028	3.0
83.08621	6.5
85.10194	6.1
89.14798	2.5
91.05485	19.5
93.07034	25.4
95.04945	5.7
95.08597	23.2
97.10159	4.3
105.07024	6.6
106.03403	2.6
107.08593	3.2
109.06507	3.3
109.10115	6.1
117.07077	3.3
119.08610	6.0
129.07011	5.3
133.10136	6.1
145.10065	3.1
147.11687	12.5
151.71208	3.4
171.11653	5.7
189.12727	3.2
210.38652	3.2
214.15652	2.8
281.17380	21.5
313.27344	17.9
373.65964	2.9
470.60086	2.9
519.40491	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81639	0.6
56.39205	0.7
58.62426	0.7
63.36190	0.6
66.20732	0.7
68.49155	0.8
69.03440	0.9
73.63824	0.8
85.02908	8.9
97.02879	1.7
102.55704	0.7
103.05404	1.0
106.79897	0.8
107.04969	1.4
113.87837	0.8
121.06503	0.9
124.03962	1.3
131.04926	15.7
137.05975	100.0
145.04971	0.9
149.05963	1.1
151.07507	1.5
163.07520	9.4
165.05406	1.7
175.07504	1.2
177.05479	1.3
178.06334	0.8
179.06995	1.0
189.09106	0.7
191.07176	0.7
203.08646	1.1
205.08694	0.9
223.09723	1.0
231.08014	1.8
239.42876	0.7
259.07477	3.2
263.10669	6.0
291.10065	11.5
305.11801	3.3
323.12918	5.7
341.13831	21.8
359.14868	45.5
538.22217	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11499	0.5
60.39584	0.4
69.03436	0.8
85.02905	6.2
87.56416	0.5
88.22131	0.5
97.02900	2.1
98.74877	0.5
101.07141	0.5
107.04934	0.9
109.02901	0.9
121.06504	0.5
122.03684	0.6
127.03947	0.8
131.04930	13.1
132.17772	0.5
135.04420	0.6
137.05975	100.0
138.27341	0.4
141.18028	0.4
148.05272	0.6
149.05975	1.2
151.03937	0.7
151.07559	1.1
157.06494	0.5
163.07523	11.7
165.05457	2.4
175.07524	0.8
177.05508	1.8
177.09122	0.5
178.06242	0.7
179.07011	2.0
189.09090	1.0
205.08466	0.6
217.08655	0.5
223.09608	0.7
231.08101	2.4
237.14105	0.5
259.07602	2.9
263.10693	5.5
273.91101	0.5
281.11725	1.0
291.10165	10.4
295.13425	0.5
305.11606	3.3
323.12723	5.9
341.13849	18.2
359.14862	53.2
458.15106	0.5
467.05743	0.5
538.26367	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68142	0.8
69.03401	1.3
81.03413	1.7
81.82478	0.9
85.02908	10.0
97.02903	1.5
115.05405	1.1
127.03899	1.7
129.06982	1.5
131.04910	4.3
132.05110	1.1
137.05974	78.4
143.04936	10.7
145.05013	1.3
153.05470	1.6
157.06517	4.9
158.92595	1.0
160.05191	5.6
161.05952	1.6
163.07541	3.8
175.07530	100.0
180.08717	1.3
187.07538	33.6
189.09079	10.2
205.08582	12.3
211.07594	1.3
217.08563	1.8
231.08130	1.1
235.09627	26.5
239.07126	1.2
263.10602	1.5
268.74042	1.0
270.08942	1.8
271.09393	1.3
277.55466	1.1
279.10101	2.2
291.10193	5.0
300.37152	0.9
308.10532	0.9
311.12759	1.0
323.12802	5.1
326.46869	1.0
341.13745	10.9
366.66260	1.0
520.20435	1.1
538.25977	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	538.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23317	0.7
67.66704	0.7
69.31229	0.6
78.59638	0.6
79.05497	8.8
84.36451	0.7
92.07832	0.6
93.07030	1.1
103.05432	0.6
105.07007	1.2
107.04951	100.0
107.08595	1.1
119.08578	3.8
121.10146	0.8
131.04912	13.5
133.10118	1.1
143.08575	0.9
145.10054	0.9
149.05977	36.3
149.85414	0.7
157.10141	2.7
166.08617	47.8
169.10121	0.9
180.10136	7.3
183.11671	0.9
185.13144	0.9
197.13223	3.6
211.14789	1.4
225.16351	5.0
257.15237	0.9
267.17401	1.0
271.05954	1.6
295.16769	0.9
478.25836	6.9
538.27679	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	538.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73468	2.5
52.51130	2.6
69.08568	2.8
77.55811	2.8
81.07056	3.4
87.07423	3.1
91.05531	3.2
92.18452	3.5
97.06530	12.2
101.65076	2.8
107.04943	6.7
109.06540	4.4
109.10135	3.7
117.06991	3.4
121.06470	3.5
123.72953	3.0
131.69081	3.3
133.10097	6.1
135.08025	14.9
143.08554	5.4
145.06485	100.0
145.10130	3.6
147.08122	10.3
155.08510	5.2
159.11737	5.1
163.07547	32.6
181.10060	4.1
183.11597	6.0
184.67747	3.0
197.13268	4.8
199.11215	5.4
205.08574	18.3
207.11668	16.3
213.16293	3.3
225.12772	4.8
239.17868	5.4
249.16319	16.8
267.17426	42.0
285.18430	20.4
304.43530	3.3
321.13327	15.9
327.19586	29.5
345.20599	6.2
538.30078	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37010	6.6
55.05513	7.3
62.10328	7.8
65.63534	7.3
69.07049	10.5
75.25245	6.8
83.08624	16.0
84.31284	9.6
85.21983	7.7
86.62619	6.8
96.52859	7.9
97.06517	10.5
105.07004	32.5
107.04935	70.3
107.08599	9.7
109.06545	7.7
119.08585	57.9
121.10130	14.9
129.07069	15.3
131.08566	18.9
133.06458	10.9
133.10149	13.1
135.08064	9.4
143.08565	17.2
145.10138	36.0
145.91493	8.2
149.05965	12.1
155.08577	9.2
157.10115	34.2
159.11673	9.9
169.10081	14.6
169.36220	8.6
171.11674	14.4
180.10204	54.8
181.10228	8.3
183.11778	54.8
184.07310	9.2
185.13266	29.3
187.14922	13.8
197.13251	12.1
207.11719	10.4
211.14667	10.4
213.12749	9.7
263.17947	17.0
266.01752	7.7
281.18951	100.0
294.11307	7.8
299.20065	51.3
341.21194	37.7
401.23141	31.7
403.58746	8.7
419.31781	8.3
446.51816	8.4
461.25226	12.3
538.31860	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
57.41222	3.1
69.79453	3.7
70.79162	4.3
79.05485	7.4
81.07059	8.3
91.05468	19.5
93.07030	32.9
95.04988	5.6
95.08604	17.2
105.07018	42.3
107.04945	14.9
107.08611	40.8
109.06496	9.2
109.10172	7.8
111.08097	3.8
112.38129	4.2
117.07011	4.5
119.08551	40.8
121.06515	6.5
121.10133	16.3
123.08045	18.7
123.11663	4.5
128.06203	5.3
131.08568	17.7
133.06453	7.6
133.10120	82.6
135.08054	52.6
137.09590	7.9
143.08540	23.6
144.55516	3.6
145.10150	33.9
147.08067	6.9
147.11708	21.1
149.09613	17.6
153.09042	4.3
155.08545	9.6
157.10088	23.8
159.11693	23.5
161.09575	43.9
167.08589	4.7
169.10115	19.0
171.11719	17.5
173.13211	6.6
179.08574	7.2
179.10667	17.8
180.10260	5.6
181.10130	20.2
182.10954	3.7
183.11667	36.7
184.07362	19.8
185.13304	15.8
192.09344	5.0
193.10091	15.6
195.11713	29.0
197.13255	35.6
206.10895	7.7
207.11722	19.4
208.12460	6.5
209.13206	8.6
211.11250	4.8
211.14740	7.0
220.12311	6.0
221.13232	33.4
223.14748	41.2
233.13190	6.0
235.14783	6.0
237.16446	6.4
239.17944	8.1
241.15814	6.3
248.15697	6.4
253.19447	5.5
263.17926	87.1
281.19003	94.4
299.20068	34.1
341.17429	6.9
341.21149	100.0
401.23035	40.7
464.04614	3.9
538.31683	4.2
539.57721	4.3
541.96198	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	538.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72688	1.6
65.90273	1.6
70.00740	2.0
79.05461	3.2
81.03419	3.4
81.07046	10.0
91.05451	8.6
92.17889	2.6
93.07059	18.7
95.04954	9.9
95.08599	11.2
105.07026	11.0
107.08601	16.7
109.10150	13.5
111.08095	3.2
117.07002	4.7
119.08572	38.8
121.10155	2.8
123.27762	2.5
130.07732	2.7
131.08551	3.3
133.10126	100.0
135.08038	11.0
135.11688	4.4
137.09601	3.5
143.08580	8.0
143.80507	2.4
145.10132	41.4
147.11679	12.2
157.10129	10.4
159.11687	11.8
161.09607	4.8
163.11125	18.2
167.08549	3.9
169.10095	7.6
171.11707	15.2
173.13248	2.9
181.10074	7.3
183.11679	11.2
185.13220	2.9
186.22668	1.9
195.11708	11.9
197.13251	10.1
208.12476	3.8
209.13214	26.8
223.14835	14.4
265.19458	62.5
283.20578	13.0
323.61343	2.0
325.21561	8.8
385.23785	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
76.19708	0.8
89.84643	0.8
92.80676	0.8
93.07040	3.1
93.98351	0.7
95.08626	1.0
97.06561	1.7
97.55238	0.8
105.07001	1.3
119.08576	2.1
122.08434	0.9
128.60243	0.9
133.06418	1.0
133.10144	1.6
135.08022	2.0
143.08569	1.8
145.06488	100.0
145.10181	1.2
147.08025	6.1
147.11723	1.5
159.11662	1.7
163.07512	19.4
165.09091	1.7
169.10095	1.4
171.11728	2.1
183.11737	4.7
187.11099	1.0
195.11824	1.1
197.13232	3.6
199.11331	1.2
205.08592	14.5
206.33218	1.0
207.11778	3.0
211.11206	1.7
219.10112	1.5
223.15021	0.9
225.12703	3.4
234.14095	1.2
239.14253	3.3
239.17903	10.0
249.16370	5.3
267.17407	21.3
279.12274	19.9
285.18475	9.6
309.24786	0.8
327.19577	26.8
341.21149	2.0
387.21619	6.2
401.23285	2.2
461.25320	4.8
538.29840	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	538.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12108	1.4
59.98848	1.2
72.56264	1.3
81.07038	2.6
91.05483	1.6
93.07037	8.4
94.26675	1.3
95.04968	1.7
95.08585	2.0
99.92331	1.5
105.07028	2.7
107.08595	8.1
112.47895	1.4
119.08580	8.8
131.08571	2.4
133.06459	3.1
133.10114	3.3
135.08028	12.0
135.11697	1.5
143.08551	2.5
145.10147	5.7
147.11751	1.6
149.09657	2.1
157.10168	2.6
161.09584	1.7
163.11157	2.5
163.40456	1.5
169.10075	1.4
171.11797	5.1
179.08585	1.4
183.11691	2.7
185.09584	2.4
193.21141	1.6
195.11699	1.9
219.76805	1.5
221.13284	1.7
223.14784	6.8
226.13553	10.0
234.14084	1.9
241.15849	100.0
253.19637	1.5
263.17883	6.8
266.16605	2.1
281.19049	15.9
283.17004	3.1
299.20041	2.6
304.29068	1.6
323.19907	5.2
341.21249	2.7
401.23264	2.5
443.24121	1.7
513.18494	1.5
524.61572	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	538.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89366	0.8
67.89786	0.6
79.05490	4.6
81.07033	0.9
87.96098	0.7
93.07034	2.0
105.06998	1.5
107.04952	100.0
107.08613	1.0
108.70937	0.8
119.08570	4.0
120.08102	7.4
121.10147	0.8
133.10129	1.4
143.08539	1.5
145.10126	1.0
146.49786	0.8
149.05984	21.3
149.07169	0.9
157.10095	0.9
159.11674	1.6
169.10013	1.3
180.10182	86.1
183.11705	1.5
190.96964	0.8
197.13281	1.8
201.95601	0.9
213.86450	0.8
239.17987	1.3
281.19077	4.3
299.20099	5.2
394.90488	0.8
403.74130	0.8
444.38571	1.0
477.36249	0.9
478.29471	17.3
538.31531	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	538.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04705	0.7
63.21734	0.8
68.29121	0.8
77.03909	0.8
79.05503	8.8
80.71929	0.7
83.57024	0.8
86.60380	0.7
91.05473	1.4
92.18613	1.1
93.07010	2.8
95.08579	0.9
105.07022	3.2
107.04955	100.0
107.08563	1.1
109.10125	1.7
119.08592	4.1
120.08091	10.1
133.10175	1.8
135.11728	1.1
143.08534	1.6
145.10135	1.5
149.05980	21.9
161.09633	0.9
169.10147	1.2
180.10184	99.8
197.13257	1.7
199.14818	1.2
211.14807	0.8
223.14723	0.9
239.17957	2.9
281.19034	6.8
299.20026	5.4
341.21082	0.9
478.29413	17.0
538.31702	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	538.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74408	0.8
55.84959	0.8
69.42347	0.9
79.05486	6.2
86.79530	0.9
91.05429	1.2
100.72926	1.0
105.07014	1.7
107.04955	95.2
107.08562	1.6
109.10157	1.6
119.08582	4.0
120.08114	11.9
131.08569	1.1
133.10103	1.6
143.08516	1.3
149.05978	23.8
157.10190	1.7
169.10114	1.8
180.10185	100.0
182.89366	1.1
183.11731	1.5
197.13271	1.6
239.17874	2.5
269.18790	1.3
281.18948	5.3
299.20056	4.6
338.53119	1.1
478.29623	16.1
538.31573	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68278	1.8
55.05502	1.9
57.03424	1.7
58.99719	1.8
60.27787	2.0
67.05496	4.5
69.07036	2.8
73.45281	2.2
79.05491	4.2
81.03401	2.2
81.07075	15.3
86.09713	5.2
91.05459	10.1
93.07032	20.1
94.27107	2.2
95.04958	9.3
95.08612	20.0
104.10747	19.3
105.07034	24.4
107.04936	10.7
107.08601	21.6
108.05260	2.7
109.10170	15.0
111.08037	3.0
117.07009	9.8
119.08572	34.4
121.06472	3.1
121.10163	15.1
123.08008	2.6
123.11703	2.6
124.99989	8.5
131.08528	30.0
133.06490	4.1
133.10124	75.9
135.08047	100.0
135.09090	3.5
135.11671	4.4
143.08536	16.0
145.06467	9.8
145.10121	48.3
147.11655	9.4
149.05957	3.7
155.08536	4.5
156.09348	2.5
157.10114	11.4
159.11658	16.4
161.09612	14.1
163.11140	17.4
167.08531	2.8
169.10126	11.4
171.11667	15.3
173.13261	10.7
179.10640	3.2
181.10165	11.4
183.11641	11.3
184.07336	40.0
185.13242	7.9
195.11682	19.9
197.13243	13.3
207.11737	4.0
208.12427	3.9
209.13272	27.6
213.12715	2.7
223.14752	18.5
227.14209	3.3
237.16405	2.8
239.17870	3.2
241.15765	4.0
265.16711	3.6
265.19482	74.9
281.18909	3.7
283.20532	34.8
301.21820	2.5
325.21780	3.8
385.23569	18.3
419.27872	2.4
421.80536	2.0
461.29068	5.0
520.33911	12.3
538.34216	28.2
552.96515	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	538.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87885	2.1
70.67722	2.1
79.05489	4.8
81.07050	12.1
84.11512	2.2
95.08591	12.6
98.09370	2.2
105.07022	11.6
107.04927	13.1
107.08604	23.1
108.05283	2.9
109.10132	3.9
115.99251	2.3
117.06960	2.9
119.04912	3.0
119.08582	10.7
121.10181	2.9
123.11713	4.5
131.08569	2.9
133.06488	5.1
133.10138	16.6
135.08057	100.0
145.06497	4.1
145.10120	12.8
147.08008	2.4
149.05952	3.3
159.11668	4.0
161.09554	5.3
163.11186	6.0
173.13261	2.9
179.10602	4.6
180.10159	2.8
190.15395	2.4
194.38799	2.3
195.11923	4.5
197.13261	3.2
199.14769	3.4
204.13782	2.8
209.13235	4.3
223.14763	3.8
225.16325	3.2
249.86224	2.4
258.05219	2.3
265.19376	17.2
283.20532	26.6
349.03036	3.0
461.28983	4.7
538.33441	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	538.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05541	1.2
57.54460	1.3
67.05499	2.1
69.07040	1.3
69.94048	1.3
77.87440	1.4
79.05483	2.7
80.15750	1.4
81.07058	14.8
83.04944	2.1
83.48713	1.6
91.05475	3.3
93.07026	7.6
95.04951	2.5
95.08606	9.6
103.36641	1.5
105.07005	11.1
107.08600	26.6
109.06524	1.6
109.10153	3.6
111.06242	1.3
112.38750	1.8
117.07007	2.4
119.04946	2.9
119.08588	15.6
121.10133	9.5
123.11719	8.2
129.06926	1.6
131.08559	6.3
133.06468	6.1
133.10124	22.6
135.08052	100.0
135.11731	5.4
143.08548	3.6
145.06526	5.9
145.10138	18.1
147.08011	2.0
147.11665	3.0
155.08517	2.1
157.10117	8.3
159.11685	6.5
161.09622	8.7
161.13248	2.2
163.11177	13.5
167.08528	1.4
169.10143	3.4
171.11703	6.6
173.13274	5.9
175.11086	2.2
179.10669	8.8
181.10167	2.8
183.11690	3.5
185.13260	2.6
195.11694	3.3
197.13260	2.7
199.14842	1.9
209.13281	8.5
211.14781	1.6
214.34039	1.5
223.14789	3.2
225.16356	2.1
227.14331	1.9
237.16367	1.9
239.17989	3.0
255.20929	2.1
265.19452	24.9
283.20551	29.8
296.99246	1.6
301.21756	3.3
385.23599	6.8
397.84473	1.7
419.28064	2.8
461.28955	9.5
538.33722	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	3.0
61.48814	3.2
62.56111	3.4
67.05504	4.7
69.03432	7.6
69.07039	4.7
77.11742	3.5
79.05486	5.3
81.03410	37.1
81.07043	15.6
86.40458	4.0
88.39677	3.5
93.06529	5.4
93.07026	42.5
95.04957	8.6
95.08591	15.4
105.07018	14.1
107.08598	32.9
109.06491	4.9
109.10163	7.2
119.08559	25.3
121.10139	18.7
123.11739	4.2
133.10110	41.8
135.08043	86.3
143.08586	6.1
145.10138	22.6
147.11681	8.8
150.58345	3.8
157.10094	9.3
159.11691	5.4
160.11751	3.9
161.09599	100.0
163.11263	16.0
171.11652	7.3
173.13269	6.2
175.11324	5.3
183.11584	5.9
185.13168	6.1
201.12888	4.4
209.13162	4.1
210.24509	3.8
257.16971	3.8
265.19550	6.4
283.20502	79.0
301.21594	5.7
302.92438	3.7
306.32977	3.8
343.22687	40.2
461.28790	27.0
559.04510	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	538.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97979	3.0
58.99847	3.3
65.42565	4.2
67.05509	7.0
70.94166	3.8
79.05490	5.2
81.07063	15.1
91.05488	7.6
93.07032	20.7
95.04908	4.6
95.08586	15.7
105.07023	20.6
107.04953	17.0
107.08608	20.0
109.10103	5.5
117.07011	8.2
119.08581	30.1
121.10125	16.6
131.08516	5.9
133.10133	100.0
135.08031	8.1
135.11690	5.0
143.08548	15.2
145.10129	97.3
147.11696	5.2
157.10143	28.9
159.11700	8.0
161.09642	7.6
163.11131	7.1
169.10191	15.5
171.11708	20.3
173.13214	6.1
180.10246	5.5
183.11728	17.3
185.13086	4.3
193.10211	3.9
194.10916	5.0
195.11746	6.9
197.13239	9.2
208.12271	4.5
209.13232	21.0
211.14813	6.3
223.14839	23.2
237.16426	4.6
250.17137	5.6
255.21046	4.0
265.19531	61.8
272.12381	4.2
281.18997	17.6
283.20535	29.1
343.22623	61.4
396.65912	3.9
509.17325	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	539.0974
Annotation	Cupressuflavone
Peak:m/z	Relative Intensity
52.54480	0.7
52.61500	0.9
54.57985	0.8
74.44724	0.9
107.04931	4.0
119.04909	1.3
121.02859	7.0
131.04956	1.5
145.02798	2.1
153.01820	5.3
169.63304	1.0
171.04353	1.1
175.09645	0.9
180.10121	4.0
181.10512	1.2
199.03893	17.1
227.03368	86.5
232.63708	1.1
245.04417	1.8
289.08560	1.3
307.05872	1.1
317.07932	6.4
321.07666	1.1
345.07602	17.2
347.05554	2.0
377.06668	1.6
387.08612	19.7
413.06644	3.8
461.63629	1.0
497.08514	1.3
521.09454	0.9
539.09686	100.0
539.22742	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	539.0971
Annotation	Cupressuflavone
Peak:m/z	Relative Intensity
54.88295	0.3
100.86543	0.4
107.04967	4.7
108.05288	1.5
121.02860	3.0
145.02882	0.7
150.06274	0.5
153.01840	2.6
180.10207	4.6
181.10562	1.4
204.87846	0.4
206.53082	0.3
242.05432	0.4
269.04379	0.5
270.05267	1.8
283.05988	2.3
307.06116	1.8
311.05505	2.2
319.06018	0.7
335.05408	8.3
345.07565	1.4
347.05432	1.9
359.05536	0.8
361.03693	0.5
375.04849	0.5
376.05563	0.4
377.06516	16.9
387.08633	5.8
401.06607	0.7
402.99081	0.8
403.04443	24.8
419.07687	0.8
421.05548	2.8
455.07751	0.4
495.10703	0.7
497.08521	5.8
539.09711	100.0
539.31812	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	539.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21246	0.8
55.01858	1.0
55.05511	2.0
56.11335	0.9
67.05482	2.3
69.07059	5.4
75.62492	1.3
78.45322	1.2
79.05493	5.8
81.03410	2.3
81.07056	13.8
83.04968	1.4
85.02903	1.6
88.38862	1.4
91.05473	2.6
92.18545	2.7
93.07053	7.9
95.04962	1.6
95.08602	9.6
97.10155	4.2
103.05475	11.1
105.07030	5.8
107.04954	22.1
107.08598	11.7
109.10157	5.6
111.08095	1.4
115.05463	1.9
117.06977	1.2
119.04948	2.0
119.08540	4.3
121.06489	1.8
121.10143	9.6
122.03579	1.7
123.08038	1.7
123.11655	7.7
125.09601	1.7
131.04956	5.9
133.06458	1.9
133.10167	3.8
135.08055	9.6
135.11676	5.8
137.05971	100.0
137.13287	1.5
139.11121	2.3
145.06473	2.6
145.07574	2.1
147.04355	1.2
147.11668	5.6
149.05981	1.5
149.09575	1.4
149.13271	7.7
151.03928	8.7
151.07545	6.0
151.11154	1.9
153.05556	1.2
159.08058	1.3
161.05969	9.4
161.13208	1.8
163.07518	40.6
165.09085	1.2
173.13312	1.5
175.07520	9.3
176.08235	2.3
177.05450	1.5
177.09018	1.3
177.16422	2.1
181.08575	7.3
187.07590	4.3
187.14861	1.5
189.05493	2.2
189.09015	2.3
191.07072	2.8
201.16364	1.2
203.07030	10.8
204.07796	24.1
205.08594	1.5
205.15938	1.6
207.10155	1.5
217.08621	11.6
219.10184	1.5
221.08099	1.9
223.16919	1.5
235.07472	1.3
237.09126	2.0
241.17433	1.2
249.09148	2.1
251.10728	1.5
261.09134	7.3
263.06958	1.9
265.08505	12.1
267.10129	1.2
273.11246	2.1
277.08618	6.6
279.10336	1.9
289.08560	11.9
290.09439	1.5
291.10181	2.5
293.11584	1.2
296.10364	2.7
297.11206	6.8
299.12833	2.1
302.68427	1.2
305.24640	1.7
306.66919	1.1
307.09634	2.1
309.11072	5.3
310.12100	1.3
315.12491	1.3
321.11234	15.6
322.11908	5.3
323.12930	1.5
323.25626	1.8
335.12891	1.7
339.12292	9.9
340.13095	13.4
341.13959	10.4
341.26746	2.0
349.20087	1.6
353.13831	2.7
357.13138	1.9
367.15491	8.9
385.16711	1.3
385.22144	2.5
431.27753	2.6
449.29007	7.1
451.15225	1.2
467.29764	10.9
485.31030	8.2
491.20486	4.3
503.20609	4.3
503.32040	1.2
509.21619	8.6
521.21539	7.4
539.22473	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	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71417	2.6
59.03302	2.9
61.06815	2.9
64.16621	3.0
65.37445	3.3
67.10857	3.2
79.05500	3.0
103.05473	20.4
107.04944	54.6
109.83614	2.9
115.05431	3.5
121.06468	4.1
131.04927	17.8
131.46155	3.3
133.06516	5.2
135.08058	21.5
137.05974	90.8
144.05751	4.9
151.07530	16.0
161.05891	13.1
163.07529	100.0
164.34982	3.3
169.34465	3.2
175.07547	6.9
176.08330	14.4
177.05475	5.1
181.08566	15.7
189.05388	7.2
190.06325	5.6
191.06966	3.9
203.07028	37.5
204.07814	62.3
217.08617	16.5
265.08499	5.4
297.11060	3.5
323.12790	3.3
340.13211	6.3
341.13803	25.1
353.13840	6.0
357.13248	5.7
490.74121	3.5
491.21027	5.3
509.21707	14.2
521.21753	16.0
539.22839	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
58.55880	1.7
61.08285	1.7
66.79042	1.7
69.07071	3.4
79.05502	3.0
81.07046	23.2
83.07450	1.9
83.08601	2.5
85.02863	2.5
85.06529	4.3
91.05473	8.4
91.13844	2.4
93.07041	14.6
95.04948	2.9
95.08624	16.8
97.06525	3.5
97.10144	5.0
99.08055	2.5
103.05431	15.5
105.07020	8.2
107.04950	48.5
107.08582	16.3
109.10174	16.1
111.08115	2.0
115.05436	2.7
119.04921	3.3
119.08562	4.0
121.06476	7.6
121.10134	9.5
123.08073	2.0
123.11714	14.6
125.09631	2.5
131.04913	12.2
133.06479	2.9
133.10100	4.5
135.08049	15.7
135.11693	3.9
137.05977	100.0
137.13228	2.6
139.11142	3.7
144.05685	3.4
149.05997	2.6
149.13243	13.5
151.03902	3.7
151.07526	34.2
151.11130	2.4
161.05988	27.1
161.13306	2.1
163.07541	69.7
163.08846	4.2
163.14807	2.9
175.07555	23.7
176.08307	3.9
177.05489	2.8
177.16437	2.6
181.08646	15.9
189.05476	4.7
189.09131	8.9
190.06178	2.8
191.07085	3.2
195.10237	7.6
203.07001	19.3
204.07817	49.1
207.10143	3.4
217.08492	17.4
217.24638	2.3
219.10068	4.3
223.16986	3.2
237.09175	3.6
241.18025	2.6
251.10593	3.1
263.06982	2.7
263.10675	3.0
265.08365	14.7
275.23318	2.6
275.35312	2.0
277.08557	4.3
279.10141	4.8
283.09586	3.0
285.11252	4.2
291.10187	2.2
297.11179	14.9
299.12692	2.5
305.11612	2.4
305.24762	6.7
309.11191	2.5
311.12653	4.3
315.12384	4.4
321.11343	4.2
322.12103	3.1
323.12827	4.5
323.25845	15.5
340.12888	5.0
341.13815	20.8
341.26694	19.7
353.13840	9.1
355.15405	22.7
357.13318	2.5
359.24063	2.2
359.27780	16.2
367.15463	16.0
369.83398	2.2
377.28809	3.9
461.19156	2.8
479.20706	8.0
491.20642	3.8
503.20636	2.7
509.21509	9.8
521.21588	18.1
539.22150	16.1
539.28235	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	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33045	0.8
65.69624	0.9
79.05464	1.4
90.26815	1.0
91.05466	1.8
92.18539	1.4
95.05019	1.0
103.05465	7.6
105.06989	1.5
107.04951	24.5
115.05437	2.5
117.06997	1.1
121.06469	2.1
122.03598	1.8
131.04927	5.7
133.06461	1.6
135.08047	7.3
137.05971	100.0
143.04913	1.9
144.05682	1.9
145.06491	1.4
151.03880	4.1
151.07532	5.4
155.84196	1.0
157.01245	1.0
161.05923	8.0
163.06181	1.3
163.07535	37.5
175.07545	9.8
176.08330	1.8
177.05492	3.5
179.06993	1.2
181.08594	8.0
187.07552	3.9
189.05496	3.8
191.07034	4.6
195.10155	1.0
203.07024	15.2
204.07808	30.4
217.08548	8.4
221.08047	1.4
237.08981	3.3
261.09073	10.2
263.07037	2.4
263.10727	2.5
265.08646	8.8
277.08643	7.6
279.10202	1.4
289.08536	11.7
291.10071	4.5
293.07874	1.2
296.10379	2.0
297.11319	5.4
299.12833	1.9
307.09616	4.8
307.13135	1.4
309.11209	4.4
310.11847	1.2
311.12762	1.8
321.11203	18.9
322.12051	5.2
323.12616	1.4
339.12302	12.7
340.13043	17.8
341.13855	12.7
353.13770	4.0
357.13284	3.7
367.15369	12.6
385.16122	1.2
403.13626	1.2
428.01373	1.1
441.61868	1.3
471.17139	1.0
491.20444	6.2
503.20468	3.9
509.21622	6.8
521.21698	8.1
539.22778	17.0
545.00000	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	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
60.14565	0.9
67.05461	5.9
69.07037	1.6
79.05452	4.1
80.51959	0.8
81.07002	5.4
83.08579	2.1
86.67279	0.9
90.50281	0.9
90.83099	0.9
91.05456	3.2
93.06991	4.7
95.08545	5.7
105.06962	5.5
107.04890	1.2
107.08526	4.8
113.46490	1.0
119.08579	3.2
131.08533	1.7
133.10042	1.2
143.08525	2.3
145.10062	2.0
154.13589	1.1
155.08485	1.5
159.11705	1.2
169.09988	1.4
171.11589	2.0
181.10043	1.5
183.11612	1.8
184.07225	2.3
185.13225	1.5
195.11580	2.4
197.13094	4.2
199.14873	1.1
203.05110	4.5
209.13179	1.6
221.13042	1.0
231.17255	1.1
313.50354	1.0
408.55359	1.2
447.32135	2.5
521.35645	2.1
526.45538	1.1
539.31134	100.0
539.36810	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	539.3427
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.29393	1.9
55.05506	9.7
56.71420	2.2
61.08583	2.2
67.05507	9.3
69.03420	2.2
69.07059	15.6
78.88535	2.4
79.05482	3.7
81.07066	71.3
83.04967	3.8
83.08624	16.6
85.02906	15.8
85.06527	15.9
92.17906	4.6
93.07029	34.4
95.08608	50.0
97.02881	2.3
97.06536	11.8
97.10161	33.6
99.04491	2.8
99.08050	10.7
100.37312	2.7
105.07024	11.1
107.08591	47.1
107.27983	2.6
109.10148	23.0
111.08057	15.7
111.11700	11.6
119.08582	12.1
121.10119	34.4
123.11697	87.2
125.09621	12.6
127.03871	2.7
133.10123	9.4
135.11719	20.8
137.06050	3.1
137.13255	12.9
139.11145	35.9
145.10153	4.4
147.11707	13.2
149.13251	59.6
151.11145	3.8
153.12747	3.6
157.12267	12.7
159.11702	4.0
161.13278	9.2
162.10986	2.5
163.14806	13.6
164.43491	2.7
165.12724	4.2
169.12216	3.6
173.15118	2.1
175.14732	3.8
177.16359	20.8
187.14798	9.1
189.16389	4.3
195.17451	9.1
205.15865	14.3
223.16953	46.4
231.17160	2.9
237.18498	3.3
241.17940	26.6
274.52194	2.3
305.24741	25.7
311.25775	5.0
323.25824	100.0
328.16000	2.3
341.26849	74.1
341.30896	3.1
359.27859	54.3
377.28766	9.8
379.09311	3.0
474.20093	2.2
521.33331	3.1
539.34698	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92051	0.8
85.02903	3.2
97.02888	0.7
123.04451	1.0
124.30811	0.7
129.07082	1.2
131.04990	0.9
131.08565	3.3
137.06004	3.2
138.06422	0.8
157.06458	3.7
159.08002	6.0
161.09662	0.6
163.07529	1.1
174.06735	1.6
175.07486	1.6
177.22821	0.7
189.09105	21.4
191.10680	2.4
201.09108	8.1
219.10144	100.0
237.11343	1.4
300.28223	0.7
343.11694	1.7
361.12759	0.8
370.98810	0.8
421.31940	0.8
467.74554	0.7
484.81763	0.7
540.11823	0.8
540.20691	0.8
540.28845	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77254	0.7
55.55112	0.9
60.27292	0.8
62.32610	0.7
69.03415	0.9
70.06561	1.0
79.03623	0.9
81.03397	1.4
85.02904	5.5
91.05482	3.9
93.73948	0.8
95.04961	1.4
95.08588	1.6
103.03729	0.8
107.04967	1.0
107.62175	0.9
116.60677	0.9
117.71804	1.0
119.04945	1.5
119.08614	1.2
124.91773	0.8
127.03927	2.0
129.06978	1.2
134.09590	1.1
137.05972	29.6
137.09610	2.1
138.09904	0.9
149.05965	9.9
151.07536	55.4
157.06523	5.4
161.05969	2.2
163.07518	15.8
165.09114	1.7
174.06682	1.2
175.07524	5.3
175.27950	0.9
177.09204	1.5
189.09093	28.5
195.08052	3.8
201.09064	1.8
207.10170	1.8
209.09593	1.2
219.10147	16.1
221.05989	1.6
221.09650	3.2
223.07526	4.1
225.09109	1.1
227.10649	17.1
249.09142	2.2
253.08646	6.6
253.12221	7.6
255.10152	22.5
269.11743	1.2
281.11746	3.7
285.11261	14.2
287.12781	27.2
313.14301	11.7
321.18573	1.0
331.15372	100.0
540.29120	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
72.61873	1.0
85.02888	5.5
91.05484	1.6
97.02864	1.4
119.04914	3.4
137.05977	31.6
145.04892	1.1
149.05971	6.3
151.07538	48.7
157.06488	6.3
160.47156	1.0
161.05966	5.4
163.07520	16.3
165.09097	2.2
174.06670	1.1
175.07536	1.4
177.09166	5.1
186.43900	1.1
189.09093	20.7
195.07999	2.1
207.10194	3.5
221.09738	1.8
223.07552	2.1
227.10651	15.0
235.07294	1.2
237.09016	1.2
249.09024	1.8
251.88640	1.0
253.08606	6.0
253.12190	8.2
255.10112	22.3
267.10248	1.5
269.11755	1.6
272.10233	1.1
281.11697	1.7
284.10440	1.2
285.11115	13.5
287.12750	21.0
299.12515	1.1
311.12616	1.1
313.14386	11.0
331.15353	100.0
343.15353	3.6
429.11914	1.2
468.61014	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	540.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86937	0.6
62.06978	0.7
65.65849	0.6
67.05516	1.0
71.65823	0.6
77.03964	0.7
79.05499	8.1
80.91843	0.6
81.07050	2.9
86.26302	0.6
91.05477	1.2
93.07044	10.1
95.08591	3.6
105.07015	4.1
106.06549	0.8
107.04959	100.0
107.08591	4.2
109.10150	1.3
119.08566	7.9
121.06501	0.6
121.10102	2.7
123.08031	1.0
129.06950	1.0
131.04918	10.3
131.08574	3.0
133.10121	5.1
135.08083	1.0
137.09641	1.3
143.08542	2.9
145.10143	3.5
147.08087	1.7
149.05977	36.1
149.09679	0.9
155.08542	1.5
157.10130	2.8
159.08061	0.8
159.11723	1.6
161.09659	2.6
165.09102	1.4
166.08630	47.3
169.10107	3.6
171.11728	1.5
175.11093	1.1
181.10130	1.1
183.11726	1.5
185.09666	1.0
185.13269	1.0
187.16272	0.7
195.11722	1.3
197.13239	1.5
198.53511	0.7
203.10628	0.9
204.70775	0.7
209.13283	2.6
211.14757	2.7
213.12682	0.9
225.12592	0.8
225.16309	0.8
230.45200	0.7
239.14299	1.0
241.15691	0.6
251.17775	1.0
269.19052	2.9
279.17480	1.1
297.18451	21.5
315.19614	4.8
357.20654	7.0
480.27292	4.0
540.29431	18.3
547.57843	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	540.296
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80497	0.9
67.05495	1.5
69.07082	1.5
79.05504	2.4
81.07052	8.5
83.08624	1.1
88.20781	1.0
91.05478	44.8
93.07018	9.4
95.04975	2.0
95.08595	3.7
100.71147	1.1
105.07027	5.1
107.04959	1.5
107.08610	4.8
109.06516	2.1
109.10145	6.8
117.07009	4.3
119.04929	9.0
119.08580	5.8
121.06520	1.4
121.10158	8.1
123.11697	8.8
125.09672	1.1
130.03346	1.2
131.08594	1.3
133.10143	5.7
134.09648	31.1
135.08070	6.1
135.11743	1.6
137.05971	2.0
137.09554	1.5
145.10127	1.8
148.11256	1.6
151.07634	1.5
151.11166	10.3
155.08600	1.0
157.10153	4.0
159.11714	1.8
162.31880	1.0
164.10648	3.9
169.10143	1.2
171.11676	1.6
173.09482	1.1
173.13280	1.6
181.10139	1.2
183.11604	0.9
210.11237	80.9
239.18054	1.0
331.15350	1.5
374.60818	1.0
398.57330	1.1
404.72375	1.1
405.17575	1.0
540.29498	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	540.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
67.05487	1.0
77.01491	0.7
79.05499	6.7
81.07049	1.3
84.27994	0.7
91.05502	1.0
93.07045	1.8
95.04996	0.8
95.08614	3.6
105.07038	4.8
106.02884	0.8
107.04951	100.0
107.08588	4.4
109.06510	1.0
114.09154	0.9
117.06992	0.8
119.08589	9.4
121.06435	1.1
121.10173	1.4
123.08064	1.2
124.03975	4.2
125.09648	0.9
131.04930	13.7
131.08569	3.4
133.10124	3.2
135.08081	5.4
135.11710	1.6
137.06001	4.5
137.09628	1.1
143.08606	3.6
145.10155	3.5
147.08051	1.9
147.11766	0.9
149.05972	40.6
149.09639	0.9
151.07567	4.7
155.08574	1.4
157.10168	3.7
159.11719	1.4
161.09592	1.6
163.07565	1.1
165.09077	0.9
166.08618	36.3
166.09979	1.3
169.10074	0.9
173.09692	0.9
177.09135	6.8
177.70776	0.9
181.10081	1.0
193.08591	1.1
195.11755	3.4
197.13269	1.0
209.13266	1.5
223.11272	1.2
237.16376	1.0
239.14412	1.7
241.15906	1.9
242.24355	0.7
251.17848	0.9
279.17526	1.9
297.18460	9.8
334.07495	0.9
339.19531	17.7
342.14386	0.8
357.20804	4.1
385.94989	0.8
462.26459	1.5
480.27380	1.2
540.29681	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42066	2.4
57.72163	2.5
75.66119	2.4
91.05450	3.6
93.07043	5.1
95.08591	5.3
105.07017	4.3
107.08566	4.4
109.06499	3.6
109.10152	3.2
117.07053	4.5
119.08587	4.2
121.10130	5.5
125.05925	3.2
129.07051	2.7
131.08537	3.6
133.10106	4.7
135.08055	25.5
137.09593	3.5
145.06471	14.6
145.10120	3.9
147.08041	4.0
147.11720	3.3
151.07455	3.6
157.10130	5.4
159.11699	10.8
163.07552	57.2
171.11713	13.9
181.08588	13.5
183.11693	18.4
197.13225	13.8
199.14867	3.0
207.11777	3.7
211.11349	3.3
211.14871	11.0
214.63794	2.5
223.14740	4.7
225.12874	3.0
234.14073	4.1
239.17966	13.0
249.16301	4.5
257.18872	3.2
267.17380	30.2
281.13885	5.6
285.18491	100.0
303.19479	3.2
327.19849	3.6
345.20544	30.1
400.41156	3.1
463.26855	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	541.1896
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
52.62514	0.5
56.70639	0.6
83.43156	0.7
93.07060	0.9
105.07021	0.8
107.04957	16.6
108.05286	3.3
112.56503	0.6
119.08598	0.7
131.04922	3.9
137.05988	1.2
149.05927	6.0
150.06357	1.6
151.03931	1.5
161.09622	0.9
166.08652	7.0
167.08961	3.0
181.10054	1.1
185.04124	0.9
185.80109	0.7
193.10396	0.8
203.05322	4.9
259.07953	4.3
259.66306	0.8
297.18414	0.9
298.18951	3.1
347.09460	37.5
523.22919	0.8
541.18884	100.0
541.29535	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	541.2409
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
54.68373	1.7
60.83097	1.9
60.84118	1.6
62.67194	1.7
72.14854	1.6
91.05408	1.9
105.07006	2.0
109.10107	2.0
119.08563	3.3
131.08540	2.2
138.26703	1.6
331.86649	1.8
361.17725	8.1
481.21799	11.4
541.23920	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	541.2568
Annotation	Isovouacapenol E
Peak:m/z	Relative Intensity
52.91849	0.9
54.32621	0.9
67.40441	1.0
73.54286	1.0
73.74799	0.9
92.17839	1.4
94.47994	1.1
101.40720	1.0
125.13596	1.2
130.36040	1.0
166.59473	1.2
190.57472	1.1
217.12569	1.1
219.31158	1.2
416.16779	1.2
541.25647	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	541.277
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
50.14011	0.8
51.04450	0.7
57.43132	0.7
60.38287	0.8
60.89043	0.7
79.05492	1.8
81.07038	3.3
83.01079	3.1
91.05465	1.9
93.07030	4.6
95.04949	1.6
95.08582	1.2
96.08918	0.8
104.94993	0.8
105.07023	3.6
107.08579	5.0
109.10157	1.4
111.92596	0.9
117.07006	3.3
119.08574	10.4
121.10131	1.4
129.07007	0.9
131.08546	4.3
132.85577	0.8
133.10117	21.6
135.08012	1.7
143.08569	3.1
145.10117	15.6
145.98459	0.7
147.11702	5.6
155.08539	1.2
157.10143	3.8
159.11670	3.1
161.09608	0.9
163.11209	2.9
171.11656	1.6
173.13261	1.0
181.10103	1.4
183.11740	1.9
185.13359	1.2
195.11693	1.0
197.13322	1.6
204.14639	0.8
209.13281	4.7
223.14845	4.0
265.19455	1.2
347.19745	1.2
361.21384	3.2
379.22534	1.1
407.22253	1.2
421.23138	1.1
481.25552	3.1
541.27679	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	541.2777
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
66.94067	0.9
71.77406	0.8
91.05472	1.0
94.65155	1.3
107.08587	1.8
109.24923	1.0
117.07037	1.2
119.08590	2.4
121.10216	1.1
131.08577	1.9
133.10095	2.1
135.08116	1.5
139.03647	30.7
143.08624	1.7
157.10057	1.2
168.77979	0.9
171.11708	1.2
193.96762	1.1
305.18967	5.2
365.21085	6.4
421.23767	1.7
439.24734	2.5
481.25851	2.2
541.27899	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	541.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55239	0.7
51.88923	0.8
55.05507	2.1
56.81055	0.8
67.05506	16.3
67.29807	0.8
68.99796	3.8
79.05503	7.4
81.07061	16.6
83.08624	6.4
85.84369	0.9
88.82415	0.9
89.97358	0.8
91.05498	7.1
93.07034	7.9
95.05003	1.1
95.08602	18.8
97.06511	3.9
97.10175	1.1
105.07023	4.0
107.04961	7.4
107.08584	5.5
109.10157	6.2
111.08084	1.2
119.04932	5.7
119.08587	4.4
120.78488	0.9
121.10140	9.8
123.04424	13.5
123.11672	1.7
131.08646	1.3
133.10153	8.4
135.11707	4.3
139.03886	7.4
145.10110	1.2
147.04393	14.3
147.11678	1.3
149.13269	1.2
151.03937	1.1
151.11226	1.4
157.06497	1.6
159.11696	1.0
171.04422	1.4
179.03371	21.4
185.05994	6.3
187.07451	6.8
213.05476	10.4
215.17914	2.0
227.07056	6.1
233.19041	1.6
243.91469	0.9
251.20032	13.8
255.06506	100.0
273.07516	12.0
447.23801	2.2
505.25815	2.2
523.26965	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	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79678	3.8
63.32792	3.7
64.17687	3.5
71.50604	3.2
79.36931	3.8
123.47148	3.9
150.93680	4.3
161.08623	4.1
198.19518	4.1
198.36272	4.3
472.53314	4.2
509.23694	4.7
541.33435	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	541.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19448	2.0
53.27734	1.6
54.74473	1.9
55.05500	2.3
56.40742	1.7
57.58010	1.8
61.50000	1.8
67.05502	41.7
68.35366	1.8
69.03416	3.1
69.07054	9.4
69.53095	1.9
78.73308	1.9
81.07062	65.1
83.08623	2.4
91.05468	4.6
93.07035	3.2
95.04932	3.8
95.08570	2.5
105.07021	2.9
107.08577	8.6
109.06510	5.1
109.10151	70.5
123.11701	100.0
127.11182	36.3
133.10118	22.7
151.11189	21.3
169.12219	98.1
187.13304	12.6
355.24390	2.5
359.20648	2.3
404.85776	2.3
456.52219	2.7
505.69595	2.8
541.26245	3.3
541.37421	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23207	0.9
55.01864	1.0
55.05520	7.7
55.63600	1.0
56.24506	1.1
62.22540	1.0
67.05222	1.3
67.05511	21.3
68.84567	1.1
69.07081	8.3
79.05044	1.7
79.05494	32.2
81.03408	2.0
81.07062	26.0
83.04972	4.1
83.08617	4.7
91.05482	20.5
93.07043	29.0
95.04979	8.6
95.08610	19.9
102.43429	1.1
105.04516	1.3
105.07037	16.8
107.04925	1.8
107.08593	13.7
109.06533	1.3
109.10159	5.7
117.06977	2.2
119.08582	11.0
121.10137	4.9
129.06992	2.3
131.08542	4.7
133.10115	5.4
135.11731	2.1
143.08586	2.5
145.10075	7.6
147.11674	8.3
149.13228	1.5
151.88344	1.1
157.10159	1.1
159.11682	1.6
161.13185	1.4
161.81480	1.1
166.71118	1.0
169.10072	1.4
171.11694	4.8
173.13306	1.3
177.51404	1.0
189.12779	2.1
207.13702	7.9
213.92751	1.0
282.95004	1.3
290.77667	1.3
293.32019	1.1
404.35107	1.0
523.37640	1.8
541.38867	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	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.9
63.44917	1.4
63.75441	1.3
64.08098	1.3
65.03928	2.1
67.05508	28.2
69.07065	7.2
77.96317	1.4
79.05495	36.6
81.07066	28.5
83.04977	5.6
83.08634	2.7
91.05498	16.4
92.17897	1.8
93.07053	38.0
95.04953	9.0
95.08608	19.7
103.14740	1.4
105.07047	15.6
107.08613	13.0
109.10138	6.7
117.07005	6.5
118.59694	1.4
119.08566	11.5
121.10149	8.8
129.07025	6.6
131.08560	3.7
133.10133	2.6
135.11670	5.8
145.10168	3.5
147.11697	9.9
167.04469	1.5
171.11653	8.4
207.13812	3.2
240.53992	1.5
257.99353	1.5
351.70432	1.6
541.38898	100.0
552.42218	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	542.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22397	0.7
56.78230	0.7
58.18809	0.9
58.61027	0.7
76.49769	0.8
78.57792	0.8
79.05483	5.8
96.14036	1.0
99.54491	0.9
107.04950	100.0
113.02847	0.8
119.04961	1.8
120.02196	1.0
131.04906	7.1
137.08609	0.8
147.04407	13.9
149.05972	44.7
166.08618	55.4
309.63855	0.9
383.03876	1.1
429.77356	1.0
432.29993	1.1
470.07870	1.0
484.61453	1.0
527.55212	1.0
540.24225	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
76.22874	0.2
78.45426	0.3
79.97212	0.2
81.03399	0.4
85.02908	2.5
97.02876	0.4
109.02874	0.3
110.75427	0.3
115.16386	0.3
122.03628	1.1
127.03925	0.3
131.04900	0.5
135.84363	0.3
137.05969	100.0
138.31055	0.3
151.07513	0.6
163.07550	2.7
181.08577	15.3
191.44080	0.3
196.36435	0.2
278.11673	0.3
338.03528	0.3
343.96326	0.3
395.76923	0.3
501.28406	1.7
527.63098	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
76.22874	0.2
78.45426	0.3
79.97212	0.2
81.03399	0.4
85.02908	2.5
97.02876	0.4
109.02874	0.3
110.75427	0.3
115.16386	0.3
122.03628	1.1
127.03925	0.3
131.04900	0.5
135.84363	0.3
137.05969	100.0
138.31055	0.3
151.07513	0.6
163.07550	2.7
181.08577	15.3
191.44080	0.3
196.36435	0.2
278.11673	0.3
338.03528	0.3
343.96326	0.3
395.76923	0.3
501.28406	1.7
527.63098	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	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74995	0.4
85.02912	0.9
86.47620	0.5
103.05449	1.0
105.07022	1.0
109.06499	0.8
117.07066	0.5
121.06503	1.2
122.03615	2.0
131.04959	6.1
133.06496	11.7
135.08054	3.3
137.05977	100.0
145.06485	2.7
151.07539	4.7
157.06422	0.6
163.07536	31.3
171.08070	1.1
175.07542	1.0
177.09087	10.5
181.08618	4.3
189.09064	1.2
203.10690	3.3
221.11722	2.7
235.11047	0.7
253.39445	0.5
263.10617	0.8
295.13278	6.1
327.12030	1.0
327.15869	21.0
345.16931	9.8
421.57785	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	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08364	0.6
63.94601	0.6
97.26295	0.6
103.05421	1.1
131.04890	10.2
137.05959	19.4
149.41963	0.6
151.07570	2.8
159.63063	0.6
160.67943	0.7
163.07523	43.9
175.07512	1.0
177.09085	100.0
195.10123	4.0
221.11700	27.3
230.18481	0.6
327.15875	2.6
345.16965	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	543.1291
Annotation	Diphysin
Peak:m/z	Relative Intensity
55.01869	3.9
56.53194	0.7
65.03932	1.1
68.49053	0.8
68.50681	1.0
68.99788	0.9
74.65482	0.8
81.06998	1.1
107.05004	1.5
111.04394	1.7
119.04932	3.5
121.02865	90.9
143.08485	0.9
145.06500	7.7
147.04407	6.1
162.67679	1.0
163.03880	1.1
165.96024	0.8
167.03389	23.2
173.05984	1.3
175.95653	0.8
201.05467	12.6
253.08588	5.8
281.08063	9.4
293.08044	1.4
299.09290	3.5
307.09543	1.5
309.07767	1.1
311.09204	15.5
313.07135	5.0
315.61664	1.1
321.07516	1.8
322.08224	7.3
325.10672	1.9
335.09027	10.4
336.06448	2.2
336.09982	1.6
337.10666	18.3
339.08728	1.8
349.07053	4.4
351.08499	3.1
363.08759	1.7
379.11761	66.4
381.09641	4.0
389.06573	1.9
439.11435	1.0
442.09363	1.0
467.11133	5.4
471.14783	1.8
499.13876	100.0
525.11694	6.9
538.42090	1.1
543.12830	44.9
543.25299	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	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
91.95116	0.7
92.18495	0.8
96.96429	0.7
105.82111	0.7
108.77247	0.8
123.73869	0.7
157.73145	0.8
210.04630	0.9
363.06821	0.8
381.07642	0.9
430.92004	0.8
466.22595	0.8
543.13171	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	543.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25737	0.7
57.43866	0.7
60.55708	0.8
62.50243	0.8
74.10904	0.7
81.36427	0.8
105.07130	0.8
107.04938	1.7
137.05878	1.0
139.75946	0.8
146.32822	1.0
152.16844	0.9
152.67645	0.9
154.93674	1.1
159.04140	0.9
177.92773	0.9
199.39278	0.9
381.13095	4.7
399.39328	0.8
543.18353	100.0
543.25146	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	543.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57694	9.0
79.05501	11.9
85.43332	8.7
91.05461	24.5
93.07044	58.8
95.04974	18.5
95.08628	14.3
98.18471	12.9
103.05469	13.6
105.03394	45.4
105.07030	44.9
107.04912	18.7
109.06620	9.1
119.04890	13.2
119.08579	95.5
121.06483	23.3
121.10152	55.1
131.04959	18.5
133.06505	22.2
147.08076	100.0
149.05991	57.6
149.09659	15.5
159.08063	18.9
177.05481	21.1
188.71938	10.9
210.11217	11.7
279.13852	15.0
297.07602	53.2
297.14841	14.9
325.14340	56.4
343.15417	57.2
385.16293	17.9
553.26990	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	543.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
74.19866	2.1
74.20339	2.0
75.09724	2.4
93.07011	2.5
95.04945	11.0
105.03399	100.0
105.07021	5.1
107.04949	4.6
119.05013	2.2
119.08581	4.3
121.06532	3.6
121.10107	4.0
147.08083	3.9
149.05962	3.4
157.10049	2.3
159.08115	7.5
159.81471	2.1
165.09160	2.6
172.13065	2.2
173.09583	4.2
179.08522	3.0
181.10072	2.6
195.11768	4.6
197.13269	2.9
207.11679	2.6
209.09715	2.4
209.13252	3.4
211.11180	11.8
215.14279	4.1
223.11215	2.2
225.12781	4.1
227.14285	8.3
239.10721	14.0
239.14284	3.1
253.12198	4.6
253.15915	3.1
279.13718	5.2
281.15289	2.9
297.07620	3.9
297.14752	3.2
299.16495	2.1
307.13486	2.7
320.64648	2.2
325.14230	7.8
343.15579	3.1
403.17838	5.0
543.22467	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2228
Annotation	10-Deacetyl-13-oxobaccatin III
Peak:m/z	Relative Intensity
50.63044	1.1
53.03936	1.2
69.04603	1.0
69.13197	1.0
69.21602	1.0
79.05502	1.4
91.05465	1.8
93.07027	6.3
95.04952	9.2
95.08622	1.2
104.76987	1.1
105.03397	100.0
105.04501	3.0
105.07042	7.8
107.04931	8.2
119.08595	6.2
121.06511	9.6
121.10162	7.6
131.08572	2.7
133.06508	5.0
133.10141	2.5
137.06006	1.5
143.08640	1.3
147.08044	9.5
149.05963	4.3
149.09595	2.4
151.07603	1.8
155.08585	2.0
157.10152	2.1
159.08044	13.4
161.05942	1.8
165.09042	1.5
167.08463	1.5
169.10071	2.4
171.08069	1.7
175.82365	1.2
177.09119	2.1
181.10150	1.5
183.11731	5.8
185.09663	2.2
193.10150	6.5
195.11693	2.7
196.08893	1.5
197.09607	5.1
197.13304	2.0
199.11261	2.2
207.11673	4.7
209.09583	2.5
209.13266	6.0
211.11136	17.0
211.14972	1.4
213.12679	2.4
215.14369	2.6
221.09621	4.6
223.11212	4.0
223.14919	1.7
225.09163	2.0
225.12752	5.5
226.10002	1.2
227.10718	2.7
227.14243	8.0
233.13222	5.0
235.11086	1.9
236.11942	1.3
237.12788	6.4
239.10704	11.2
241.08640	1.3
241.12070	1.4
249.09344	1.3
251.14250	2.5
253.12224	8.0
253.15918	5.4
255.13771	2.1
257.11734	2.3
261.12631	1.6
265.12244	2.0
267.10007	1.8
269.08081	1.9
271.13412	1.4
279.13797	6.6
281.15372	6.0
297.14795	4.8
299.16373	2.7
307.13220	4.7
315.16055	2.4
325.14355	13.3
343.15469	7.1
361.16406	2.6
379.17709	1.3
385.16507	1.8
403.17352	5.4
421.18518	2.1
465.19107	1.7
523.98236	1.3
525.21088	1.7
543.22260	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50565	2.1
57.29730	1.9
57.72725	2.5
68.75745	2.2
71.01338	2.8
79.05489	3.1
84.70918	2.4
87.25381	2.3
91.05481	3.2
92.18513	5.4
93.07030	5.3
95.04965	5.3
105.03399	100.0
105.04496	2.8
105.06998	5.4
107.04942	4.1
119.04963	6.1
119.08571	15.9
121.06496	3.4
121.10139	17.1
131.08559	3.3
133.06497	6.2
133.10135	4.6
143.08549	4.2
147.08029	17.4
157.10168	3.7
159.08080	18.1
161.06023	3.5
161.09615	4.5
163.03894	14.0
165.09106	5.9
167.08586	4.1
168.09451	3.6
169.10023	5.3
171.08064	4.3
173.09679	2.8
177.09114	3.5
181.10181	3.5
183.11728	5.7
185.09616	4.7
193.10136	15.2
194.11023	2.8
195.11809	3.9
197.09589	6.3
199.11209	2.7
209.09586	4.9
211.11172	19.2
213.09094	4.2
220.12453	5.0
221.09436	3.6
222.10315	3.2
223.14893	3.4
225.09235	3.2
225.12843	5.0
235.14857	3.7
236.12027	3.6
237.12761	11.6
241.08505	3.9
251.14265	10.8
253.12209	3.0
253.15839	5.2
257.11591	3.8
261.12656	3.9
267.10193	4.5
269.15234	3.3
271.16882	2.9
279.13663	5.7
281.15384	11.5
287.09210	5.3
297.14786	13.6
299.16388	18.8
307.13284	6.2
325.14246	22.5
329.26801	2.6
343.15421	15.7
465.19077	37.1
525.08240	2.6
543.21991	3.4
557.11688	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	543.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.05513	3.7
58.75399	0.9
65.19214	0.8
66.09560	1.1
69.07068	1.0
77.03938	1.0
79.05487	2.0
81.03405	1.2
81.07040	2.0
83.08660	1.3
91.05466	4.1
93.07047	9.7
95.04958	12.7
95.08595	4.6
105.03391	100.0
105.04522	4.8
105.07003	8.5
107.08565	1.7
109.06535	4.1
111.08073	23.3
119.08564	3.9
121.06472	9.4
121.10127	8.0
123.08052	5.1
129.07004	1.0
131.08540	2.0
133.06502	12.2
133.10114	1.7
135.08067	5.0
137.06026	1.7
137.09631	6.9
139.07564	12.1
143.08583	1.1
145.06474	1.7
147.08038	3.8
149.05969	6.6
149.09570	7.3
151.07574	5.5
155.08540	1.2
157.10072	1.5
159.08003	4.6
161.05980	2.2
161.09569	2.3
163.07509	1.3
165.09102	2.0
173.09621	1.8
175.07443	1.2
177.09103	2.1
181.10130	1.5
185.09616	1.6
193.10147	1.3
195.11690	1.6
197.09677	1.2
199.11192	2.2
201.09081	1.5
203.10519	1.3
209.09625	1.2
209.13239	1.9
211.11182	1.9
215.10635	1.1
221.09595	1.0
227.14262	1.2
236.11911	1.5
237.12671	1.7
239.10648	1.1
241.12233	1.8
251.14323	1.8
269.15198	1.4
279.13779	3.9
297.14954	5.9
307.13147	1.9
313.64978	1.0
315.15854	1.5
325.14365	9.5
343.15341	13.5
361.16446	12.9
391.04300	1.6
403.17529	3.8
423.44354	1.1
430.25143	1.0
543.22375	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	543.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
53.03952	1.4
53.26217	0.5
55.01862	0.6
55.05502	4.0
59.04986	0.7
67.05499	0.8
69.03431	1.2
69.07043	0.6
71.40472	0.7
77.03932	1.1
79.05483	1.0
81.03426	2.5
81.07042	1.3
83.08630	1.1
91.05469	3.5
93.07040	9.6
95.04962	12.2
95.08607	2.6
103.05459	0.9
105.03394	100.0
105.04527	3.8
105.07027	9.4
107.04977	1.4
107.08580	4.7
107.99625	0.6
109.06557	5.8
109.10149	1.0
111.04481	0.7
111.08079	24.6
117.07050	0.9
119.04924	0.8
119.08579	3.1
121.06504	5.7
121.10139	8.5
123.04418	1.1
123.08057	5.8
125.05938	1.0
131.08557	1.0
133.06494	11.2
133.10161	1.0
135.08044	5.6
137.05966	1.6
137.09555	5.7
139.07539	10.7
143.08543	0.9
145.06497	1.3
145.10120	1.0
147.04471	0.8
147.08020	3.1
149.05949	4.8
149.09590	5.6
151.07526	3.6
155.08597	1.2
157.06502	0.8
157.10123	1.2
159.08034	4.1
159.11700	1.0
161.06012	2.4
161.09605	1.3
163.07532	1.5
165.09122	3.9
171.08014	0.8
171.11737	0.8
173.09578	1.0
175.07472	2.4
175.11215	1.1
177.09079	1.5
179.07016	1.0
181.10133	1.6
185.09587	2.7
187.07574	1.4
187.11238	0.8
189.09142	0.7
191.10757	1.0
193.08656	0.8
193.10237	1.4
194.10931	0.8
195.06502	0.9
195.11758	2.9
196.08800	0.9
197.09535	0.7
199.11198	1.5
201.09099	0.8
203.07140	0.8
208.12473	1.0
209.09718	1.0
209.13287	3.0
211.11203	3.3
213.09167	1.6
213.12682	1.1
215.11015	0.7
223.11191	0.7
223.14819	1.0
225.09227	1.2
225.12752	1.0
227.10736	1.0
227.14339	1.6
233.13359	0.9
236.11877	1.4
237.12788	1.1
239.10756	1.1
251.14293	1.1
253.12195	2.7
255.13741	1.6
261.12881	1.1
264.11319	0.7
265.12195	0.8
269.11923	0.7
269.15283	2.6
279.13821	4.1
283.13324	1.1
297.14853	5.4
307.13205	2.9
315.15994	4.1
325.14420	9.6
343.15381	14.1
361.16492	15.3
384.96674	0.7
403.17514	4.5
421.18515	1.0
447.18204	0.7
465.18802	1.0
543.21606	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	543.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46472	3.6
55.33936	4.0
56.79849	4.2
63.22306	4.5
71.01333	9.4
91.05482	5.8
93.07033	10.3
96.66818	4.2
105.03390	89.6
105.07060	22.5
107.04971	9.8
119.04941	8.5
119.08578	18.2
120.31448	4.6
121.06493	9.0
121.10124	8.4
123.08090	4.5
127.82757	4.7
131.04886	5.2
131.08553	6.9
133.06494	8.3
133.10201	5.5
147.08040	33.7
149.05962	6.7
149.09587	8.1
157.10066	7.1
159.08049	10.9
163.03883	10.3
165.09094	9.0
169.10107	6.0
173.09589	5.6
177.09122	6.1
180.09224	4.7
181.10141	8.0
183.11656	8.3
185.09616	5.6
193.10042	22.4
197.09480	4.9
198.10411	5.1
205.05051	6.4
209.09615	6.5
211.11177	18.8
213.09106	9.3
213.86807	5.7
222.10452	4.9
223.14799	6.5
225.12753	6.9
235.15060	6.3
236.11740	5.6
237.12767	4.7
239.10590	6.6
241.08623	5.3
251.14270	6.1
253.15869	5.6
255.13744	5.6
279.13867	6.3
281.14981	6.5
285.11258	10.0
287.09024	20.8
297.14844	11.2
299.16403	9.9
307.13174	9.8
325.14285	100.0
343.15375	7.5
361.16693	5.2
465.19330	33.4
465.25125	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	543.2356
Annotation	Cochinchinenin C
Peak:m/z	Relative Intensity
52.61559	0.9
60.29393	0.9
73.14217	0.8
73.78532	0.8
133.10132	1.1
145.34012	1.0
185.45148	1.0
213.29417	0.9
241.66449	1.0
301.05753	1.0
440.69632	1.1
473.87134	1.1
543.23535	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	543.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60028	0.7
66.23325	0.7
81.07053	1.3
83.01093	3.3
87.07956	0.9
91.02750	0.7
91.05464	1.2
93.07019	4.2
95.04946	4.0
95.08606	1.8
98.10060	0.9
99.00564	7.2
105.07021	6.1
107.08551	4.3
109.06487	0.9
109.10203	0.9
114.84244	0.7
117.06984	3.4
119.08597	8.3
121.10149	3.5
124.06409	0.7
131.08562	3.1
133.10135	23.8
135.08037	3.7
143.08539	1.9
145.10114	11.9
147.11685	4.7
147.41840	0.8
157.10182	2.7
159.11697	3.8
163.11208	1.5
169.10098	1.0
171.11674	3.4
181.10109	1.7
183.11781	1.1
195.11665	1.6
195.57724	1.0
197.13249	1.9
209.13239	4.5
214.72163	0.8
223.14799	3.9
265.19556	1.5
347.20004	3.5
423.21442	0.9
483.23611	3.5
499.90201	0.9
543.25604	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	543.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.5
86.54494	1.5
91.05469	2.2
93.07040	3.4
95.08570	3.5
95.36652	1.7
97.06503	2.8
97.25114	1.8
105.07033	3.0
107.08579	3.7
109.10183	2.2
119.08561	8.1
121.10108	3.9
131.08539	2.7
133.10091	9.4
143.08565	4.0
145.10114	3.9
151.20050	2.1
155.08572	2.9
157.10098	6.5
159.11694	2.1
163.88232	2.0
169.10144	4.1
171.11681	9.6
173.13330	1.8
174.20662	1.9
183.11678	8.1
184.20300	1.9
193.10277	1.9
195.11746	2.7
196.34485	2.1
197.09744	1.8
197.13266	7.8
207.11684	4.1
209.13336	3.5
211.14853	2.3
220.12506	1.9
221.13318	7.0
223.14796	3.3
233.13152	2.6
248.15605	6.1
263.18021	9.9
281.18973	11.1
288.36472	2.1
295.49063	1.7
341.21176	6.8
386.43015	1.9
423.21490	2.8
441.21426	1.8
461.25320	2.0
483.23535	100.0
543.25507	11.2
543.36292	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	543.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10340	0.7
50.32990	0.7
57.43562	1.1
71.92786	0.9
81.07019	1.4
83.01056	1.1
83.50437	0.9
93.07006	2.4
95.08546	1.3
105.06992	4.1
107.08575	2.4
119.08527	6.1
121.10073	1.9
125.70303	1.1
131.08449	1.1
133.10074	6.4
135.07994	4.0
137.09602	2.0
141.05215	1.4
143.08553	2.0
145.10107	10.8
149.09537	4.2
157.10016	1.9
159.11603	1.3
169.10057	3.3
174.05954	0.9
183.11650	2.2
193.10155	1.1
197.13243	1.6
209.13136	1.1
213.12772	1.2
223.14726	1.4
225.12665	2.2
248.15601	1.2
251.14165	2.2
253.19365	2.0
263.17841	1.6
266.16574	4.2
281.18845	4.8
294.79739	0.9
363.19156	5.4
375.22034	1.0
377.55835	1.1
423.21567	7.0
483.23575	10.2
543.25317	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	543.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36229	0.5
67.05464	0.7
81.07066	1.1
83.01119	0.9
84.89742	0.6
91.05455	2.7
93.07052	5.6
95.08599	1.2
97.06516	0.6
105.07024	2.3
109.06503	0.8
118.38200	0.5
119.08581	7.4
121.06509	0.7
121.10091	0.8
123.08073	0.9
129.07034	2.1
133.10194	4.6
135.08118	0.7
137.09576	1.3
137.63228	0.6
139.07576	0.7
145.06480	4.5
145.10149	3.1
147.08055	9.5
147.11696	0.9
155.08604	1.0
157.10167	2.6
159.11707	4.2
163.07541	1.1
165.09108	6.9
167.19608	0.5
169.10025	1.1
171.11658	3.1
173.13300	0.8
173.57469	0.5
175.11215	0.7
177.80690	0.6
179.25571	0.6
181.10025	0.8
183.11726	3.5
185.76709	0.6
191.06883	0.6
197.13315	3.1
201.12796	0.6
207.11717	0.9
211.11110	0.6
211.14784	1.3
221.13269	0.8
223.14827	2.2
225.12816	0.9
225.16524	0.6
234.14047	2.8
239.14317	2.2
239.17990	3.3
249.16490	3.1
267.17493	6.8
273.95761	0.5
299.53323	0.6
305.61255	0.6
349.17761	8.9
351.95944	0.5
367.18768	0.9
409.19864	5.1
417.98792	0.6
423.21341	7.6
439.48047	0.6
483.23495	10.9
543.25677	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	543.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68198	0.9
62.81522	0.8
64.09047	1.1
67.05503	1.2
70.75946	1.0
76.56509	1.0
81.07045	1.1
83.01119	1.0
91.05460	1.2
95.08617	1.6
105.07048	1.4
105.21683	0.9
107.08583	1.9
109.10143	3.9
117.94334	0.9
119.08551	8.2
121.06467	1.0
121.10102	4.2
133.06448	1.2
133.10139	1.8
134.58893	1.1
135.08058	2.3
143.08636	2.4
145.10086	4.3
147.11687	2.0
149.09599	2.1
157.10104	1.5
159.11674	2.4
161.09569	1.2
163.11151	2.4
169.10149	2.0
170.33720	1.1
171.11731	1.8
175.11180	1.1
195.11623	1.4
197.13113	1.2
211.14845	1.6
215.03281	1.0
221.13339	1.0
234.83409	1.2
253.19670	2.0
260.16107	1.0
281.19092	1.6
299.20029	1.0
303.17151	1.2
307.13547	4.1
363.19467	9.8
381.20255	2.0
423.21164	8.9
483.23752	5.0
537.12091	1.0
538.94080	1.1
543.25623	100.0
564.46143	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	543.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54064	1.0
51.07812	1.2
51.80217	0.8
52.86919	0.8
57.99501	0.8
62.34706	1.1
67.05479	1.3
69.07013	1.1
81.07015	2.2
91.05433	4.7
93.06977	4.7
95.04955	1.7
95.08574	1.7
100.28825	1.1
105.07029	7.9
107.08524	5.5
117.07020	1.4
119.08575	9.3
121.10099	2.1
128.06134	1.2
131.08496	4.6
133.10136	29.3
135.07971	2.3
137.09602	1.6
141.05183	4.0
143.08475	2.2
145.10114	9.0
147.11594	5.6
155.08490	1.5
156.09242	1.1
157.10011	6.3
159.08133	1.0
159.11620	4.2
161.09592	1.9
169.09993	1.5
171.11656	3.8
173.13199	2.0
181.10036	1.5
182.97948	1.1
183.11591	1.6
195.11603	1.9
197.13120	1.9
209.13196	2.6
211.14661	2.4
221.13206	2.5
223.14690	1.3
281.18948	1.2
305.36029	1.0
313.80072	1.2
363.18884	6.5
365.20657	2.4
423.21173	16.5
483.22992	7.3
543.25171	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	543.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39916	0.4
53.64502	0.5
54.20662	0.5
55.29017	0.4
57.51466	0.4
57.72428	0.4
58.79538	0.4
61.08056	0.4
61.62666	0.4
62.38615	0.5
66.58340	0.4
66.98302	0.4
67.05494	1.1
79.05485	0.9
81.07074	0.9
87.73132	0.5
95.04995	0.7
95.08593	0.8
95.54778	0.5
107.04956	100.0
111.04422	0.7
121.10143	0.7
121.14958	0.4
123.11818	0.6
131.04897	1.1
135.11726	0.7
139.03906	69.4
143.54063	0.5
146.30943	0.5
149.05952	0.7
151.03918	2.4
167.77983	0.5
170.23767	0.5
179.28085	0.4
251.20067	1.2
257.08069	20.7
311.48193	0.5
338.37833	0.5
347.60919	0.5
507.27097	0.6
511.44937	0.5
525.28632	0.9
543.29242	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	543.293
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
53.83112	0.7
56.30736	0.8
62.97209	0.7
67.44677	0.8
68.17503	0.6
70.77611	0.7
71.30116	0.6
81.07070	0.8
86.21306	0.8
92.18485	1.8
93.09630	0.7
119.08570	1.6
133.10181	1.5
135.08034	1.7
141.05234	32.7
143.08548	1.6
145.10152	1.3
157.10172	0.9
171.11732	0.9
173.13261	1.0
195.09517	0.8
198.64259	0.9
206.69771	0.7
209.13420	0.9
253.04834	0.8
287.12549	0.8
289.04968	0.9
305.18802	4.9
323.19873	0.9
365.21024	5.3
383.21884	1.3
423.25214	8.6
441.26288	4.9
483.27527	7.1
543.29303	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	543.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73252	1.4
58.64127	1.1
62.10215	1.0
63.21531	1.1
63.22344	1.1
67.05505	1.7
68.44045	1.2
79.05499	2.0
81.07053	3.0
91.05474	5.5
93.07024	8.1
95.08628	2.9
104.39933	1.3
105.07027	8.0
106.25391	1.2
107.08588	8.2
109.06553	1.5
109.10152	2.0
117.06998	2.9
119.08580	14.4
121.10133	6.0
128.06210	2.3
130.07828	1.6
131.08539	2.8
133.10133	35.8
135.08035	2.2
137.09599	1.5
141.05225	11.9
141.06963	1.5
143.08539	6.8
145.10124	24.6
147.11659	2.9
149.27475	1.2
151.63191	1.3
155.08485	1.5
157.10094	5.8
159.11743	5.1
161.09554	2.1
163.11244	1.4
169.10133	1.9
171.11671	6.6
173.13255	4.8
183.11642	2.5
194.10890	1.5
195.11613	3.0
197.13239	2.9
209.13251	6.1
211.14828	1.6
223.14754	2.2
265.19608	2.9
301.24719	1.2
305.18625	4.8
365.20734	9.8
423.20734	2.5
423.25101	8.2
431.27609	2.4
471.97580	1.3
483.27060	8.4
543.29730	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	543.293
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
50.06097	0.9
50.15048	0.8
53.43674	1.1
58.92972	0.9
59.33680	1.0
65.64129	1.0
68.43238	1.3
68.99329	1.1
78.18822	1.0
91.05440	1.9
93.07039	5.5
95.04946	6.7
95.08630	1.8
105.07032	1.7
107.08579	7.5
109.10138	1.8
112.00935	1.2
117.07080	1.4
117.97580	1.1
119.08569	6.7
121.10155	4.4
133.10112	23.8
135.08037	7.7
141.05234	22.8
145.10114	6.3
147.11705	4.8
154.07602	1.3
154.89536	1.2
195.25423	1.2
248.91354	1.2
305.18723	1.4
416.25525	1.4
423.25052	2.3
483.27164	1.8
543.29272	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	543.2934
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
71.17050	1.6
79.05527	2.1
87.85445	1.7
91.05478	2.7
93.07037	2.4
95.08609	1.8
105.07014	6.2
107.08590	6.7
117.06985	1.4
119.08559	3.7
121.10157	2.1
126.89025	1.7
131.08502	1.9
133.10132	32.0
135.11713	1.9
145.10130	2.6
147.11749	2.1
161.85301	1.7
171.11729	2.0
173.13272	2.4
200.25114	1.7
260.22095	1.6
373.12802	1.7
381.20255	3.4
483.26962	15.9
543.29150	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	543.2957
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
50.98930	0.3
54.19562	0.3
60.31198	0.3
67.05495	1.0
79.05499	1.5
79.14038	0.3
81.07059	0.7
91.05478	0.6
93.07035	0.6
95.04966	0.7
95.08572	0.9
107.04958	100.0
109.10158	0.4
111.00796	0.4
111.04482	0.7
121.10127	0.9
131.04895	0.6
139.03906	70.6
145.98340	0.4
147.08067	0.8
149.05994	0.4
151.03935	1.9
163.03952	0.5
173.05968	0.6
219.65585	0.5
221.41716	0.5
237.71625	0.4
251.20151	0.8
257.08081	20.6
437.83643	0.5
525.28717	0.7
543.36896	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	543.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81836	1.0
55.05511	5.0
58.58291	0.9
67.05502	5.2
68.99804	2.4
69.07074	10.3
71.60248	1.0
79.05472	2.4
81.07058	10.8
83.08627	5.3
93.07058	2.1
95.04951	4.4
95.08597	7.1
97.10146	4.1
107.04963	7.2
107.08597	1.9
109.10156	6.8
119.04939	12.6
119.08562	2.0
121.10126	5.8
123.04430	13.3
131.80339	1.1
133.10144	2.3
135.11665	4.9
139.03914	4.0
141.15646	1.2
145.06526	1.7
147.04401	22.9
147.11684	4.5
149.13300	1.1
151.03902	2.2
157.06526	1.6
171.04434	1.3
179.03404	17.8
185.05992	11.4
187.07585	5.0
189.05476	4.8
213.05475	13.9
217.19508	1.8
227.07048	6.7
231.06418	1.3
235.20638	1.7
237.05402	1.2
253.21588	5.9
255.06508	100.0
269.13544	1.3
273.07529	13.4
360.05698	1.1
449.25409	5.1
507.27350	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	544.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03436	3.5
80.05023	1.3
91.05460	1.6
92.18520	1.6
93.07055	2.7
95.08583	1.2
96.04489	1.4
100.14285	0.7
105.07013	3.6
106.02913	16.7
107.04936	1.6
107.08665	0.8
109.06527	1.2
111.08048	0.8
116.53019	0.7
119.04929	1.3
119.08606	4.1
121.06453	0.8
121.10107	1.3
124.03944	100.0
124.98530	0.6
131.08528	1.1
133.06476	1.2
133.10107	1.3
135.08041	0.9
137.05983	1.0
137.09529	0.7
147.08025	5.2
151.07417	0.7
155.08580	1.7
157.10088	3.6
159.08025	3.3
159.11594	0.9
161.05952	1.0
161.09599	1.0
163.03905	1.0
167.08539	1.1
169.10094	1.1
171.08049	1.0
173.09569	1.0
181.10052	1.4
183.11699	1.8
185.09653	2.8
185.13354	1.0
193.10086	1.6
195.11601	1.0
196.08737	1.3
197.09598	1.2
199.14888	1.2
201.09114	1.3
205.08595	1.2
209.09644	1.3
209.13190	0.8
211.11246	3.6
211.14755	0.7
213.09074	1.2
227.10698	1.7
227.14256	1.1
237.12650	1.0
239.10526	0.9
239.14279	1.0
251.14473	1.3
251.75430	0.8
253.15834	1.3
255.13736	0.7
258.11179	1.2
269.15283	1.3
279.13757	0.9
281.15424	1.4
297.14865	2.7
299.16394	2.7
325.14270	4.0
328.99631	0.8
343.15405	4.2
466.18491	10.7
484.19669	8.4
503.30280	1.1
526.20361	3.7
544.21710	10.7
544.29303	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	544.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80946	0.6
62.26746	0.6
62.90556	0.8
69.03435	1.0
72.05502	0.6
85.02924	7.5
92.18502	0.9
97.02893	1.3
103.04871	1.0
103.05464	8.5
111.91737	0.8
119.04948	2.9
121.06448	1.1
123.04393	1.3
131.04929	100.0
133.02856	1.4
137.05984	25.2
147.04405	25.9
147.08092	2.8
149.05975	8.6
150.06757	0.9
150.28085	0.7
151.07513	6.7
157.06483	0.7
161.05975	3.8
162.06796	4.8
163.07533	70.7
175.07552	24.4
175.09047	0.9
179.07010	0.9
193.08629	18.7
239.95218	0.8
241.08670	0.8
253.08611	1.0
271.09613	4.0
297.11130	1.2
299.12823	2.9
311.12793	0.8
317.13840	18.7
341.97910	0.8
347.14871	3.0
516.77661	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	544.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89518	2.7
52.97922	2.8
53.55648	2.5
53.62323	2.9
59.73284	3.0
65.34579	3.1
65.77562	2.7
67.05514	4.2
69.03403	3.1
91.05460	16.3
92.14273	4.0
93.07069	9.9
95.05006	3.2
95.08601	5.7
105.07012	13.8
107.04955	6.3
107.08596	4.3
117.06960	3.3
119.08551	20.0
120.47932	3.5
121.06464	5.1
129.06979	4.6
130.36206	3.0
131.04860	3.7
131.08513	5.2
131.75500	3.7
133.06494	3.5
133.10094	4.0
141.05627	2.8
143.08591	7.6
145.10117	14.8
147.08054	3.6
149.05988	6.9
152.52797	3.2
157.10104	14.1
159.08086	5.0
161.09674	6.7
167.06966	3.2
169.10100	3.6
171.11635	4.0
195.11847	3.8
197.13161	11.1
199.11211	5.3
207.11667	5.3
209.13275	6.5
210.11322	4.4
214.63054	3.5
221.13181	13.9
223.14784	4.4
225.12787	4.5
232.12508	17.9
233.13120	3.4
235.14749	13.2
237.12679	6.7
237.16428	13.2
245.13358	3.9
247.14871	29.7
250.13551	3.7
260.12015	6.2
263.14279	7.7
265.15796	17.6
275.14328	13.4
293.15338	24.7
311.16351	18.9
389.19583	13.7
407.20612	4.5
431.20947	5.0
501.52493	3.2
509.23853	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	544.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75457	1.2
52.21057	1.3
53.28839	1.4
57.05958	1.3
64.00162	1.8
69.44219	1.4
69.89782	1.4
102.38317	1.6
107.04972	6.4
110.39715	1.6
121.06531	2.2
129.94972	1.6
137.05922	2.6
145.06465	2.0
145.10110	2.4
148.49031	1.6
159.08043	6.6
169.10150	3.5
173.09692	1.8
181.10124	2.4
183.08128	1.8
183.11642	2.7
185.09631	3.0
192.09305	1.6
193.10034	2.0
194.11719	3.2
195.11662	3.3
196.08766	2.0
197.09622	3.1
197.13246	3.7
199.11174	6.2
207.11626	7.0
209.09552	3.3
210.10355	6.3
211.11134	14.0
213.12639	6.4
223.11201	8.4
225.12711	15.8
227.10735	6.4
235.11000	2.2
238.09897	2.4
241.12241	7.0
253.12311	9.3
255.17458	1.9
271.13232	3.2
329.17453	2.7
331.15372	100.0
371.18646	1.7
431.20990	3.0
449.21503	2.1
495.26736	1.9
544.27557	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	544.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81124	2.9
80.63560	3.7
83.04951	3.7
91.05463	3.8
95.04959	4.8
105.07014	24.8
107.08583	3.9
109.06547	6.1
119.08576	12.5
121.06536	7.4
121.10195	3.0
131.08533	12.2
133.06535	4.4
134.06186	3.1
135.08051	6.5
143.08543	3.7
147.08047	4.5
155.08582	6.3
157.10158	6.4
159.08015	14.3
165.06996	6.1
166.07716	3.6
167.08614	5.4
169.10066	11.2
178.07776	6.2
179.08568	18.8
181.10129	25.7
185.09641	5.3
187.07489	3.6
192.09354	38.7
193.10187	18.4
195.08008	4.9
195.11700	17.4
197.09628	6.6
197.13362	5.1
199.10947	3.8
203.12834	3.0
205.10176	6.5
207.11676	82.6
208.08868	4.6
209.09608	32.5
209.13245	3.9
210.10289	3.6
211.11192	17.8
213.12819	3.4
215.95074	3.1
217.10184	7.0
218.73412	3.2
220.08826	5.9
223.11147	46.7
225.09155	3.5
225.12717	19.1
232.12459	12.4
235.11140	100.0
235.14771	5.0
237.12657	3.2
237.16324	3.6
241.12199	4.4
245.13229	4.5
247.14803	7.2
251.14386	5.9
253.12213	89.4
260.12225	5.1
263.14206	11.6
265.15738	6.5
275.14301	11.8
281.15329	13.3
283.13623	3.7
283.16873	3.6
293.15286	23.8
295.13339	6.7
311.16336	12.9
313.14331	39.1
331.11795	5.2
331.15411	85.4
353.17490	6.4
371.18521	13.9
373.16296	5.9
413.19449	6.9
431.20920	12.2
433.18503	18.9
482.16736	3.3
503.29672	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	544.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83378	0.9
56.58147	0.9
67.34731	1.0
69.03431	1.6
71.02189	1.1
79.05455	1.6
80.61125	1.1
93.07017	2.2
95.04986	1.3
95.08617	1.5
95.36830	1.1
97.06532	1.3
105.07042	4.7
106.17809	1.0
107.08538	1.6
109.06487	1.3
121.06498	2.5
127.83144	1.1
133.06508	2.3
134.00084	1.4
135.08052	1.7
137.05919	1.9
143.08546	2.1
145.06465	2.1
145.10052	1.5
147.08067	2.1
149.09555	2.6
151.71596	1.2
152.12714	1.2
155.08588	1.3
157.10156	1.4
159.08006	9.0
161.09616	5.8
167.08664	2.3
169.10059	2.0
171.08047	6.6
171.11777	1.3
173.09622	6.2
181.10123	2.4
182.10852	1.5
183.11751	6.5
189.09105	1.4
193.10216	2.6
195.11719	5.3
197.09612	4.8
197.13275	2.6
199.07483	1.3
199.11153	12.1
204.89256	1.3
207.10086	1.8
207.11821	2.6
209.09663	6.5
209.13199	1.4
210.10440	6.9
211.11205	11.5
213.12756	6.7
215.10651	1.7
221.13248	1.7
223.11122	13.2
225.12698	13.9
227.10658	11.5
235.11169	2.6
238.09839	2.0
239.14240	1.5
241.12201	6.4
251.14151	1.3
251.90967	1.3
253.12248	6.4
265.15961	2.0
271.13351	9.2
293.15427	4.7
299.16278	1.9
311.16412	4.6
331.15378	100.0
391.17279	1.7
449.21710	9.2
491.22803	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	544.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21023	2.6
59.46268	2.6
69.03439	4.0
81.07035	6.5
89.34554	3.1
93.07047	13.4
95.04951	4.9
97.06517	4.2
100.99193	2.9
105.07021	14.0
107.04937	4.4
107.08581	6.1
117.07027	3.9
119.08578	7.4
121.06474	12.3
123.08054	6.6
131.08542	5.1
133.06468	12.1
133.10123	5.4
135.08034	5.9
143.08556	12.8
145.06523	4.7
145.10109	16.6
147.08035	7.0
149.05972	12.1
149.09563	5.3
155.08594	13.7
157.10118	14.3
159.08023	17.5
159.11858	3.3
161.09602	18.5
165.06982	5.3
169.10124	19.5
171.08047	6.2
171.11642	4.3
173.09564	24.5
175.07637	3.5
177.09081	5.0
179.08534	4.2
180.09216	3.0
180.85094	3.3
181.10112	27.0
182.10947	4.5
183.07999	4.5
183.11736	20.8
185.09612	13.2
185.13266	3.8
187.11212	4.9
189.09204	4.6
192.09381	4.0
193.10228	4.0
195.08078	4.0
195.11710	19.1
197.09641	26.5
197.13274	14.9
199.11176	31.7
201.09111	4.2
207.11713	16.0
209.09587	24.8
209.13254	7.2
210.10422	4.3
211.11168	22.1
211.14783	3.2
213.09174	3.5
213.12836	17.4
215.10725	13.9
221.13309	5.2
223.11198	21.3
223.14700	4.3
224.12035	3.8
225.12679	26.7
227.10696	17.4
229.12317	4.4
235.11162	11.8
237.12804	5.9
237.16470	4.8
238.10072	4.0
239.14333	13.9
241.12227	16.8
241.15866	5.0
243.13774	5.2
247.14798	4.9
251.14261	6.7
253.12279	22.7
255.13741	5.0
257.15259	4.0
260.11975	3.8
265.15894	13.1
267.13535	9.8
269.11789	6.7
269.15305	3.6
271.13184	28.1
275.14221	4.1
281.15427	13.1
283.16956	17.0
283.97778	3.0
289.14346	46.4
293.15424	13.0
299.16452	6.0
311.16489	32.0
313.14185	10.2
317.76892	3.1
329.17447	28.9
331.15381	100.0
331.19016	5.8
347.18640	11.4
371.18509	16.4
389.19501	19.9
431.20554	5.4
449.21759	7.3
491.22589	15.2
544.27655	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	544.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86987	0.3
54.21299	0.4
58.06604	0.4
60.08172	5.2
65.90060	0.4
71.07364	0.7
76.98055	0.4
86.09707	24.2
92.18554	0.4
98.98432	0.6
102.42506	0.4
104.10748	2.7
113.88548	0.5
117.44563	0.4
125.00001	14.0
138.07155	0.4
184.07336	100.0
385.83981	0.4
526.33276	1.3
530.95245	0.4
544.34015	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	544.3405
Annotation	2-arachidonoyl-lysophosphatidylcholine
Peak:m/z	Relative Intensity
52.88165	2.0
56.77464	2.0
60.08156	11.4
66.86290	2.0
71.07434	2.2
73.09635	2.4
86.09708	43.2
102.27067	2.4
104.10085	4.5
104.10741	87.4
123.43876	2.1
125.00021	20.2
131.12329	2.3
177.05106	2.6
184.07336	100.0
254.37476	2.4
345.15945	2.7
360.94547	2.3
526.32220	3.5
544.26685	6.0
544.34119	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1448
Annotation	7,3',4'-Trihydroxyflavan-(3->O->4,4->O->3)-7,3',4'-trihydroxyflavan
Peak:m/z	Relative Intensity
52.55387	0.4
53.95832	0.4
57.15285	0.4
59.40557	0.5
91.92937	0.5
121.08865	0.5
130.91426	0.4
190.12799	0.5
385.07111	0.9
399.08762	1.1
401.06616	0.9
413.06464	1.9
414.07553	4.1
415.08063	7.0
426.07275	3.9
427.08112	17.0
428.08902	4.0
429.05576	3.2
429.09732	5.3
430.06442	3.7
438.07428	2.4
439.08310	0.7
441.09970	6.1
442.10632	0.7
444.08362	7.8
445.09192	11.6
452.09134	0.6
453.09854	1.2
455.07602	5.0
456.08496	8.6
459.10724	31.4
460.11487	1.1
470.09964	4.6
471.10852	9.5
472.07809	9.0
487.10257	13.3
502.12595	1.2
545.14441	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	545.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.1
58.29076	0.8
61.42694	0.8
62.61007	0.9
81.03407	0.9
85.31806	1.0
97.47342	1.0
98.97577	3.6
112.99116	1.4
115.48932	0.9
122.44621	0.9
124.09959	0.9
125.28779	0.9
131.00183	1.1
131.01883	1.3
149.01241	0.9
155.01915	1.5
156.98018	1.0
157.03441	1.8
158.99669	6.9
169.03421	2.2
172.35208	0.8
173.01244	3.4
173.02884	1.3
174.99115	7.8
177.00703	1.0
185.02939	1.1
187.04536	2.0
191.02278	1.1
193.00209	4.3
195.05074	2.0
197.02994	2.2
199.04489	7.1
204.55884	1.0
208.99614	0.9
209.03204	1.2
211.04709	1.6
213.06105	1.5
215.04062	1.3
217.05598	5.3
219.01820	7.6
232.99820	1.0
233.03336	4.6
233.24475	1.1
235.06592	35.8
237.02791	2.2
245.05118	3.6
251.04320	28.5
253.07657	52.9
261.02936	1.3
261.08179	17.4
262.96408	1.0
269.05408	31.2
271.06503	1.3
276.09369	1.3
277.07724	5.2
279.04050	1.5
279.09244	26.1
287.06378	4.9
289.07642	89.1
295.08612	1.3
303.09494	0.9
305.07202	11.6
307.08731	28.1
315.05688	3.4
333.06625	40.1
337.08020	1.9
351.07834	100.0
353.03671	1.1
353.07672	4.5
369.07376	6.4
371.08566	1.1
411.13373	1.8
527.13251	1.6
545.14105	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89248	1.8
56.48281	2.0
66.03183	1.9
74.40576	2.0
78.31103	2.6
87.74911	2.0
106.01305	2.3
129.45796	2.4
131.01886	2.4
143.01912	9.2
155.01866	3.0
161.02919	2.7
166.01329	2.4
167.01854	3.0
169.03436	5.0
169.51787	2.4
173.02948	4.4
182.01868	2.8
185.02985	12.8
192.42842	2.4
197.02904	2.8
199.04538	10.0
203.04091	2.7
215.04005	5.5
217.05611	9.9
227.03998	5.0
235.06592	60.0
245.05045	61.9
253.07678	74.2
261.08142	25.4
263.06146	15.1
275.06573	5.2
275.09723	76.8
277.07767	13.6
279.09232	31.3
281.07068	3.8
287.09763	12.5
289.07657	95.0
291.09195	5.6
293.10794	56.2
303.09219	69.0
305.07147	34.1
305.10779	17.0
307.08722	29.2
309.06577	2.3
321.10312	17.2
323.08362	10.6
333.06613	38.9
333.10349	39.5
351.07666	100.0
351.11420	87.9
365.09262	21.1
373.04355	2.2
411.13504	24.2
425.11514	16.1
469.66052	2.6
527.13324	2.6
545.13367	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	545.1999
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
54.53855	0.6
57.42999	0.6
89.49374	0.6
89.86437	0.7
92.42369	0.7
118.24112	0.7
133.06483	1.4
137.05972	2.9
146.57370	0.6
171.07945	0.7
209.09608	1.0
212.11446	0.8
254.12401	0.8
257.13702	0.8
312.16556	1.0
331.15323	1.0
332.15680	1.0
383.25620	1.1
515.18762	1.6
545.19879	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	545.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17390	6.4
53.67087	7.3
53.87357	6.3
60.02188	6.7
79.05515	8.9
89.84801	6.7
91.05477	8.7
93.07035	35.2
95.04974	9.9
105.03398	100.0
105.07013	38.1
107.08584	11.7
109.06539	10.3
119.08575	14.7
120.78623	6.5
121.06485	47.7
121.10119	14.5
123.08042	10.8
131.08557	16.4
133.06502	58.6
133.10110	14.6
143.08473	9.3
147.08015	7.9
149.05971	32.3
149.09587	13.4
151.07578	10.3
156.98315	7.7
159.07947	8.1
161.09619	7.5
165.06960	11.5
168.20532	7.1
171.07997	15.1
172.08804	7.0
173.09630	10.9
177.09084	15.7
180.09229	24.4
181.10162	13.1
183.11661	10.1
185.09575	12.1
187.11249	16.4
195.11732	57.8
196.12456	6.7
197.09587	11.4
199.11174	8.6
207.11823	7.3
213.12752	27.0
223.11171	27.8
225.09166	10.8
235.14896	10.0
239.14417	9.4
241.12241	14.7
245.34122	9.4
247.11237	9.9
251.10612	8.7
253.15782	9.8
263.14374	9.3
269.11740	33.1
271.16983	10.8
281.15384	9.9
287.12857	15.2
299.16281	15.0
309.14685	30.8
321.32230	8.3
327.15866	60.2
345.16974	13.5
354.24887	8.3
355.39764	6.9
449.19406	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	545.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
59.46763	3.8
60.69748	3.2
64.21833	3.1
66.63234	3.3
81.07059	6.2
91.05489	14.6
92.18494	6.6
93.07069	35.6
95.04965	19.1
95.08600	16.8
97.82444	4.0
105.03401	100.0
105.07044	35.3
107.04990	8.5
107.08613	21.2
109.06519	8.2
111.08077	5.3
117.07027	4.2
119.04938	8.9
119.08581	17.2
121.06492	34.6
121.10139	29.2
123.04420	6.1
123.08052	7.7
129.06955	6.0
131.08565	5.6
133.06477	45.6
133.10109	23.2
135.08023	6.8
137.09654	3.8
141.07068	3.9
143.08585	8.7
145.06479	6.1
145.10138	7.2
147.08012	6.1
149.05984	33.1
149.08499	4.0
149.09544	27.0
151.07512	7.7
151.14624	3.6
155.08531	5.7
157.10126	9.2
159.08084	20.8
161.06023	5.1
161.09660	9.5
165.05508	4.1
165.06964	15.4
167.07147	3.8
167.08548	8.6
169.10152	16.7
171.08070	4.9
171.11841	7.2
173.09648	14.7
175.11234	4.0
177.09161	24.7
179.08586	5.1
180.09325	18.1
181.10158	8.7
183.08043	6.7
183.11617	9.2
187.11212	9.0
193.10097	8.9
195.11658	36.8
197.09642	23.1
197.13254	5.6
199.11116	6.8
205.10127	7.7
208.08835	6.9
209.09723	7.7
209.13271	9.0
211.11165	20.1
213.12769	18.7
221.13170	4.4
223.11232	29.3
225.12718	4.5
235.14767	6.2
239.10669	7.4
241.12283	22.9
248.12068	6.1
248.96385	3.9
251.10727	15.7
253.15833	9.2
263.14423	5.8
267.13809	4.7
269.11707	44.6
281.15344	18.4
287.12802	14.9
299.16525	18.2
309.14813	28.3
327.15921	78.6
345.17047	19.1
435.93976	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	545.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
53.72692	1.5
54.50413	1.4
55.05492	2.0
55.09381	1.4
56.25586	1.6
62.64550	1.4
65.13202	1.6
67.36184	1.5
69.02541	1.5
69.38609	1.5
79.05492	3.2
81.07027	2.4
85.02810	1.5
87.72977	1.4
91.05470	5.9
93.07033	13.1
95.04967	14.5
95.08591	3.4
97.02828	2.1
97.06501	2.3
103.89436	1.7
105.03384	100.0
105.04465	3.3
105.06977	11.6
107.08607	9.2
109.06513	7.1
109.19282	1.5
111.08073	16.7
116.20603	1.6
117.06941	2.1
119.04855	1.9
119.08559	9.4
120.79977	1.7
121.06489	8.0
121.10130	8.9
123.04485	2.0
123.08057	8.0
129.06955	1.9
131.08632	3.1
133.06491	14.4
133.10065	1.9
135.04356	3.2
135.08066	7.6
137.09637	8.6
139.07526	10.8
139.27054	1.9
139.79256	1.7
142.07797	2.4
143.08586	6.9
143.60349	1.7
145.10115	4.1
147.08043	9.2
149.05965	6.8
149.09599	9.7
151.07526	3.9
157.10127	3.7
159.08040	6.6
159.11694	3.5
161.09579	4.0
163.07541	6.9
165.09058	3.8
167.10648	2.0
169.10071	8.2
171.08105	2.7
171.11679	2.2
173.06026	1.8
173.09674	3.6
177.09125	3.3
179.10660	3.3
181.10071	2.3
183.08121	1.8
183.11662	7.4
185.09651	2.1
186.87901	1.6
187.11212	3.4
188.24265	1.8
195.11665	3.5
196.08664	2.3
197.09547	2.8
199.11107	3.5
203.10612	2.1
211.11195	3.9
213.09178	2.2
220.12584	2.0
225.12981	1.9
225.16484	2.3
235.14813	3.0
239.14378	2.7
241.12389	2.3
253.15736	2.6
263.14352	2.6
281.15341	9.7
299.16403	4.2
301.14191	2.1
309.14880	6.3
311.12903	1.8
317.17407	2.2
327.16034	13.6
329.85904	2.1
345.17029	15.3
363.17950	22.6
405.18973	2.9
467.20621	10.4
545.23645	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	545.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46008	2.2
53.03947	2.4
55.05526	3.0
67.05494	3.8
67.24677	1.8
76.57697	2.0
77.03925	3.5
78.68349	2.0
79.05482	3.7
81.07065	10.5
83.08636	2.2
89.93060	1.8
91.05481	8.2
93.07054	20.5
95.04954	14.4
95.08594	10.8
99.04425	4.2
105.03394	100.0
105.04478	3.4
105.07017	23.1
107.04938	4.6
107.08586	5.0
109.06512	10.1
109.10163	2.6
111.08082	10.5
117.07023	2.5
119.04953	3.0
119.08598	9.6
121.06497	16.4
121.10119	10.8
123.08071	10.8
125.05959	2.2
129.07021	2.6
131.08548	8.7
133.06529	17.9
133.10115	12.9
135.08055	4.9
137.09624	4.1
143.08603	8.9
145.10121	9.3
147.08034	8.4
149.05978	9.0
149.09615	8.9
151.07498	5.1
157.10042	2.9
159.08032	5.4
161.09584	5.1
163.07622	2.5
165.09059	2.6
169.10120	4.9
171.11673	4.1
173.05988	2.7
173.09566	8.5
177.09085	2.8
179.10590	3.3
181.10043	3.1
183.11655	3.5
187.11156	4.1
193.10149	9.5
195.06438	2.7
195.08093	2.5
195.11710	3.0
196.09015	2.4
197.09473	3.6
197.13303	3.5
198.10388	3.4
199.11212	3.5
200.15785	2.0
201.12755	2.4
207.10156	3.6
209.09538	2.5
211.11214	10.4
213.12764	3.1
215.10681	4.9
215.14293	3.1
221.13361	2.5
225.12859	2.8
227.10666	2.9
229.12285	2.8
233.09668	2.1
235.14891	3.6
237.09285	2.6
239.10696	4.7
239.14221	3.1
241.12259	3.2
248.11905	2.5
253.15862	3.4
257.15637	2.9
259.13174	2.5
281.15381	10.5
285.14948	3.1
289.10999	2.0
299.16461	13.6
309.14868	12.8
327.15982	27.5
345.16986	27.8
363.18051	28.7
387.18069	3.1
527.22327	3.2
545.23962	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	545.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17879	2.9
55.03881	3.4
60.94363	3.0
63.58520	3.3
71.01338	5.3
76.08244	3.1
76.16686	3.2
105.03373	7.5
107.08521	3.7
109.10193	3.3
114.66955	3.5
145.10097	4.1
155.08546	5.2
157.10126	4.7
169.10110	7.0
173.09616	3.4
201.09213	4.3
211.11288	3.4
211.14888	5.0
213.09166	4.0
213.12732	7.2
221.03140	3.5
225.12740	27.9
229.12268	4.6
231.13884	5.0
237.12686	4.8
239.14326	12.8
243.13783	37.8
253.12042	3.9
253.15910	6.5
255.13812	88.3
257.15469	5.4
265.12189	4.6
265.15900	4.0
273.15045	7.2
281.15311	16.6
283.13318	21.6
301.14313	11.7
309.14810	79.1
327.15924	100.0
345.16898	15.1
361.16531	6.9
387.18076	26.8
405.19080	23.6
427.86914	3.9
496.99512	3.9
545.27521	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	545.2384
Annotation	CHEBI:66196
Peak:m/z	Relative Intensity
53.03962	1.2
67.05505	1.5
81.07082	1.6
83.05009	1.7
93.07063	2.2
95.04966	12.3
105.03397	100.0
105.04499	3.6
105.07012	1.5
107.08633	1.3
109.06505	1.9
119.08623	1.7
121.06506	2.9
123.04471	1.7
123.08056	2.6
131.08551	2.3
143.08540	1.9
149.09613	6.6
151.07588	1.4
169.10103	1.5
171.11610	1.2
180.60321	1.5
181.10045	1.4
183.76460	1.4
187.11252	2.7
209.09589	1.9
211.11314	1.9
213.12752	2.4
225.12621	4.7
235.14900	1.3
243.14055	1.4
253.15988	1.9
255.13872	2.3
267.14124	1.9
281.15448	2.8
299.16330	2.2
309.14993	9.9
327.15900	19.3
345.16925	6.9
387.18045	1.9
449.19812	2.8
467.20648	14.0
478.81625	1.5
545.24146	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	545.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34281	0.3
56.38631	0.4
59.87400	0.4
60.07890	0.4
60.50455	0.4
62.16589	0.4
65.54059	0.4
67.05508	0.5
69.07053	0.4
75.10253	0.5
81.07061	0.9
91.05483	1.0
92.61332	0.5
93.07028	0.6
93.97845	0.4
95.04984	0.5
97.80224	0.5
103.05470	22.6
103.06157	0.9
105.07024	1.0
107.08578	1.3
109.06468	0.9
109.10141	0.6
111.04435	1.9
112.55849	0.5
117.07009	0.7
119.08580	2.4
121.06521	0.6
121.10136	0.6
123.08064	0.7
131.04924	100.0
133.06494	0.7
133.10120	0.8
135.08047	0.7
137.09610	2.7
143.08488	1.6
145.06522	0.5
145.10132	0.8
147.08067	0.5
147.11682	0.6
149.09561	1.0
153.05452	0.9
154.78693	0.5
155.08517	0.5
156.09364	0.8
157.10117	0.6
159.08044	1.1
161.09598	0.8
171.11705	1.9
173.09615	0.8
175.11195	1.1
179.08589	0.4
181.10193	0.6
183.11649	0.6
183.75198	0.5
195.11751	0.7
199.11093	1.7
201.12723	0.5
203.10677	1.7
207.11679	0.6
213.12851	0.6
221.13341	0.6
225.12714	0.7
234.14162	0.6
247.11208	0.7
249.16391	0.9
267.17480	2.2
277.15903	3.4
295.16937	3.5
313.17957	7.4
335.16284	0.6
337.18362	0.7
355.18991	10.1
397.20197	0.9
443.22208	2.0
485.23401	1.0
503.24161	0.9
545.25104	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	545.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85397	1.2
69.03428	7.4
79.05473	2.0
81.03402	6.5
81.07048	8.8
83.04964	2.3
85.02888	3.2
94.33721	1.4
95.04958	2.4
97.02938	1.6
105.07014	9.0
107.04944	9.3
109.02864	16.6
109.06512	24.7
109.10194	1.6
119.08553	6.9
121.06476	2.3
121.81599	1.4
122.26366	1.5
123.04409	3.4
123.08041	2.6
127.03899	2.1
131.04941	1.6
133.06494	25.0
133.10133	6.0
135.07971	1.6
137.05998	1.9
137.09599	1.8
147.08073	8.6
147.11676	17.4
151.03934	1.9
161.05960	92.3
161.13213	15.5
171.11685	7.4
173.13269	1.8
174.10388	2.5
175.07556	6.3
175.11140	31.5
189.12735	46.1
199.11182	1.9
202.09909	6.8
217.12216	100.0
235.13251	18.1
238.73875	1.5
242.51538	1.6
255.06662	1.8
273.07446	2.4
361.16537	11.1
365.03833	1.6
379.17499	56.7
545.20203	2.9
545.33673	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	545.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29541	0.3
55.05508	0.3
67.05495	0.4
68.99798	0.4
69.07069	0.6
69.99976	0.4
74.31587	0.3
79.05520	0.4
81.07067	0.6
83.04924	0.4
83.08622	0.8
94.73926	0.4
95.04970	0.8
95.08596	0.6
97.10182	0.6
107.08576	0.4
111.00764	0.5
111.04446	0.7
123.04421	100.0
139.03900	73.3
147.04405	3.2
151.03902	7.3
163.03897	1.4
165.05420	0.7
172.74142	0.4
175.62981	0.4
212.71394	0.4
255.06377	0.5
273.07559	14.7
291.08533	0.8
324.54269	0.4
363.14029	0.4
373.99677	0.5
504.69308	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	545.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24598	0.4
52.49291	0.4
73.05907	0.4
95.04972	0.6
95.08542	0.5
107.04958	100.0
111.04488	0.5
131.04944	0.9
139.03908	70.3
147.08081	0.6
149.05991	0.8
151.03905	1.1
157.70308	0.4
173.06064	0.7
210.38394	0.5
228.20087	0.4
237.02043	0.5
253.21715	1.0
257.08084	18.5
275.09091	0.9
459.10767	5.7
527.09570	3.1
527.30524	0.9
542.15082	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	545.3836
Annotation	Methyl 2-acetyltormentate
Peak:m/z	Relative Intensity
53.59795	6.1
55.05517	11.6
57.03444	11.8
57.62176	7.2
61.21064	5.9
67.05500	45.9
69.07055	16.1
76.70209	7.6
78.86191	6.7
79.05482	31.3
81.07069	67.1
83.08620	13.6
91.05466	15.2
93.07042	48.2
95.08582	36.3
97.10132	7.6
105.07016	16.7
107.08575	29.2
109.10162	29.3
111.00714	8.2
119.08556	38.3
121.10128	17.2
131.08588	16.6
133.10146	35.1
135.11641	10.0
143.91353	8.0
145.10095	31.9
147.11650	17.1
149.13199	10.4
153.52278	6.6
157.10170	12.1
159.11707	16.1
161.13197	11.1
163.00032	7.2
171.11699	29.1
173.13223	8.7
183.11801	10.5
185.13217	17.1
197.13213	15.9
242.87289	7.6
259.20639	14.4
269.17545	14.8
515.37482	9.5
517.39142	12.2
527.37378	100.0
545.38464	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.3
56.77533	1.3
57.03425	7.1
67.05224	2.0
67.05513	32.3
69.07064	6.2
72.11187	1.4
73.02903	1.6
74.95425	1.4
79.05507	24.3
81.07065	24.4
81.13276	1.3
81.97820	1.5
88.03981	3.8
91.05479	12.2
91.73244	1.4
93.07033	23.3
95.08602	19.9
97.06526	3.5
98.98460	3.2
100.60994	1.9
105.04573	1.5
105.07018	9.1
106.05064	1.4
107.08612	14.4
109.10132	10.8
119.08572	3.0
121.10133	10.9
129.05463	10.0
131.08545	3.7
133.10095	6.5
135.11664	3.7
135.53645	1.5
145.10095	3.4
147.11691	5.8
159.11679	2.3
169.80682	1.5
173.02022	2.9
308.34354	1.7
361.27350	100.0
549.23663	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	546.3554
Annotation	LysoPC(20:3)
Peak:m/z	Relative Intensity
53.24857	0.5
55.65083	0.6
56.43773	0.5
58.06588	0.6
60.07902	0.7
60.08170	12.4
67.05490	1.0
69.07069	0.6
71.07355	3.7
81.07062	0.6
86.09187	1.4
86.09705	41.2
93.07050	1.0
95.08611	1.4
98.02275	0.6
98.98436	0.6
100.32269	0.6
100.83632	0.6
104.10743	88.3
124.99994	18.9
128.25677	0.8
143.01003	0.6
184.07330	100.0
281.44427	0.7
360.19708	0.6
363.40906	0.7
511.02222	0.7
528.34534	7.5
546.35547	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83339	0.2
51.60347	0.2
52.52007	0.2
53.25237	0.2
60.08170	5.0
71.07352	1.2
81.07039	0.3
81.96027	0.2
86.09706	22.8
92.18507	0.6
96.55098	0.3
98.98451	0.4
104.10727	2.1
124.99998	12.5
184.07333	100.0
222.40526	0.2
313.32712	0.3
315.13571	0.3
528.34534	1.3
543.25592	0.3
546.35577	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	547.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40314	0.9
56.96578	4.6
60.36180	1.1
62.93654	1.1
92.17880	1.2
98.97575	2.6
100.99140	5.8
110.97574	4.2
126.97009	1.4
128.98616	4.2
144.98070	2.0
146.99660	5.0
154.96507	2.7
158.99629	7.6
165.00729	1.5
170.99649	12.5
172.97563	18.2
173.01329	2.4
177.00702	2.6
181.99883	1.2
185.18593	1.1
189.00662	7.5
190.98637	56.6
201.00734	2.6
201.45027	1.1
205.00308	1.3
207.01791	2.3
207.05223	1.3
208.99693	51.1
214.98633	30.6
216.05557	1.4
219.01773	5.0
227.00627	3.2
232.99675	76.5
235.06609	2.5
235.35381	1.1
237.02829	2.4
237.06334	2.3
243.01723	1.7
244.99751	5.8
251.00735	21.5
251.04466	12.9
253.07686	6.8
255.07364	8.8
261.02832	4.5
263.00845	11.8
264.05487	1.1
269.05408	19.3
279.03891	2.4
281.09152	4.5
287.06543	2.3
290.07922	1.3
291.07477	11.6
293.01816	4.1
296.38730	1.1
307.07294	1.2
309.08444	4.4
323.06320	1.9
335.02817	2.1
335.06781	5.5
349.04361	1.7
352.07816	1.7
353.03879	100.0
353.07803	15.3
357.92407	1.3
367.05469	6.4
369.10333	2.3
371.08633	1.6
450.05969	1.4
529.10895	4.2
547.14233	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	547.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00549	0.8
74.78535	0.8
83.01098	0.9
83.19794	0.7
84.01867	1.0
89.31690	0.8
92.14885	0.8
95.01110	1.8
96.01855	1.4
106.94410	0.8
113.02158	1.7
131.04951	1.9
133.06480	1.1
137.06000	1.6
167.03296	1.0
184.93674	0.8
185.04211	7.4
185.05734	3.0
189.05235	1.1
204.07562	8.7
205.08284	0.9
216.63579	0.9
224.07954	0.8
257.08066	1.6
364.03625	0.9
365.12241	1.4
512.02271	0.9
547.21521	100.0
547.30884	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	547.2148
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
50.40025	0.7
51.03615	0.7
53.76741	0.7
62.06698	0.7
65.36410	0.8
96.01865	1.0
100.84396	1.0
105.07025	1.3
106.48582	0.9
113.02127	1.5
122.91630	0.7
133.06493	1.4
137.05968	1.9
157.04681	1.3
173.46205	0.9
179.17140	1.0
185.04147	5.3
185.05701	1.5
204.07614	5.8
257.08099	1.2
257.13776	1.6
272.66910	0.9
348.18124	0.9
351.45251	0.8
365.12070	1.0
547.21503	100.0
547.31897	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	547.2151
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
92.18454	0.8
107.05027	0.9
124.77196	0.7
124.78946	0.7
273.09753	0.8
547.21655	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	547.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26149	4.2
65.64713	6.3
67.05458	6.6
79.05487	5.7
79.51307	5.9
81.07022	9.1
85.33337	6.0
86.05389	5.5
91.05451	11.3
93.07041	38.9
95.04947	11.6
95.08618	7.6
105.03403	100.0
105.07028	51.9
107.08586	25.5
108.76664	5.9
109.06521	6.7
119.08603	13.0
121.06500	35.5
121.10177	11.7
123.08031	9.4
131.08517	7.7
133.06479	60.5
133.10098	33.0
135.04395	25.0
135.08047	7.7
139.80298	6.4
143.08533	24.5
145.06502	7.6
145.10139	30.5
149.05946	11.3
155.08560	28.7
157.10094	32.4
159.08055	7.9
161.05865	6.8
161.09621	23.3
163.11153	8.2
166.07729	7.2
167.08572	8.8
169.10068	24.2
171.07968	8.3
171.11642	28.1
173.09581	9.9
177.09300	6.7
179.08534	5.9
180.09317	9.0
181.10106	37.1
182.10956	11.9
183.08156	7.8
183.11673	32.7
192.09334	35.6
193.10121	7.2
195.08003	7.7
195.11682	28.8
196.08852	7.5
197.09610	22.8
197.13216	51.6
199.11166	36.2
201.12801	6.9
207.11653	55.1
209.09644	22.7
210.10419	24.7
211.11142	10.0
213.12666	10.1
217.10037	6.8
221.13304	6.9
223.11156	7.9
225.12643	63.9
227.10629	7.5
227.14392	8.5
235.11180	26.8
237.16455	9.6
239.14362	7.3
243.13564	6.5
247.14856	8.9
253.12158	85.7
255.17404	10.5
265.15881	12.9
271.13245	39.0
275.14392	6.4
283.16946	10.6
289.14282	29.7
293.15332	25.6
311.16388	56.8
327.15460	7.2
329.17398	68.5
389.19733	21.1
511.23083	6.3
547.25232	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	547.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72314	8.7
55.28323	9.4
74.96812	11.9
79.06293	9.6
82.75810	11.0
84.15005	9.6
92.17866	20.9
93.07033	48.7
102.36212	8.7
103.22875	9.6
105.03387	93.7
105.07039	37.5
109.06503	11.7
109.10204	11.7
111.08000	9.7
112.28345	9.7
115.63605	10.0
119.08565	23.4
121.06466	23.1
121.10139	19.0
133.06461	46.9
133.10133	45.3
141.07024	12.1
143.08565	24.7
145.10133	40.9
147.08026	17.6
149.05994	16.7
155.08531	23.3
157.10109	16.7
157.30656	12.6
159.08081	23.6
161.09647	16.1
163.11172	15.0
169.10149	15.9
171.11792	11.6
181.10094	41.7
183.11627	18.3
192.09224	11.9
193.10075	14.0
195.11673	42.0
197.09642	13.0
197.13249	52.3
203.25233	9.7
207.11710	49.6
209.09706	16.3
220.08742	11.7
225.12680	61.1
227.10577	10.9
235.11032	13.9
237.16327	14.1
253.12216	84.2
265.15863	11.8
271.13159	40.1
283.17148	14.1
289.14255	23.5
293.15332	15.5
311.16440	57.0
329.17422	100.0
378.40451	10.0
497.60800	10.7
525.73602	12.3
564.76434	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	547.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32402	4.8
58.83385	4.4
67.05509	5.3
67.84996	5.0
69.07077	7.0
69.53007	4.4
79.05517	11.3
81.07044	10.3
91.05475	11.0
93.07035	20.9
95.08606	23.4
103.05460	19.9
105.07030	24.2
107.08624	10.4
109.10154	6.6
119.08573	76.5
121.10117	6.1
131.04951	78.2
131.08572	20.6
133.10129	31.0
135.08025	11.4
137.09570	7.2
137.17136	4.8
143.08560	32.4
145.10112	6.5
155.08528	12.0
157.10159	28.2
159.08041	12.7
161.09579	31.1
167.08496	10.2
169.10071	48.5
171.11670	41.7
173.09676	7.2
181.10147	12.1
183.11775	10.1
187.11214	8.9
195.11641	37.6
209.09583	6.5
209.13223	28.3
210.79602	5.5
219.11852	6.0
221.13315	23.0
223.11116	20.1
236.15814	5.7
237.12689	8.9
237.16357	25.5
239.14636	6.2
251.17786	7.2
253.15965	11.1
255.17426	7.7
279.17419	100.0
297.18448	54.6
339.19467	33.6
381.22357	5.5
399.21777	8.8
461.23215	7.5
489.36215	5.5
547.26990	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71000	2.0
54.69076	1.7
55.05502	2.1
60.08141	2.2
63.84322	1.9
67.05505	3.4
81.07034	5.6
86.09687	4.8
91.05476	10.7
91.62749	2.0
93.07021	12.0
94.80527	2.3
95.04965	10.2
95.08612	3.9
103.05462	26.2
104.10735	10.3
105.04485	2.0
105.07033	20.3
107.08592	11.0
107.27986	2.3
109.06522	10.7
117.07040	3.0
119.08578	37.8
121.10160	4.6
123.08068	2.7
124.99975	2.6
129.06987	3.1
131.04932	100.0
131.08568	17.1
133.10153	21.9
135.08141	4.5
141.07018	2.7
142.07813	3.6
143.08537	17.6
145.10130	22.4
147.08034	5.4
147.11691	2.7
149.09584	4.3
155.08565	14.1
156.09373	4.1
157.10155	20.7
159.08025	4.0
159.11699	15.1
161.09560	18.4
165.06989	4.6
166.07788	3.2
167.08586	4.5
168.09256	3.0
169.10078	23.9
171.11650	12.3
175.11148	2.6
179.08638	4.8
181.10144	17.2
183.11682	9.7
184.07358	16.0
185.09601	4.5
185.13336	4.0
193.10121	10.8
194.10936	4.4
195.11664	21.8
196.12527	3.5
197.13269	10.2
199.11264	3.4
206.10962	14.2
207.11758	15.9
208.12454	9.1
209.13318	18.2
211.14818	16.5
219.11684	3.5
220.12469	4.0
221.13223	25.6
223.11507	3.3
223.14809	15.0
223.98683	2.2
231.11670	5.5
235.14883	4.9
239.14304	10.5
241.15851	3.0
246.13907	2.8
249.16429	3.2
251.17889	13.1
261.16275	7.9
267.17236	7.6
268.70660	2.2
269.19040	12.9
279.17444	45.6
279.82672	2.4
297.18478	65.7
317.86121	2.8
322.52234	2.3
339.19592	9.6
354.08710	2.3
357.20639	3.8
418.71756	3.0
427.22522	2.6
497.48898	2.5
547.27209	3.5
547.35840	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	547.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00652	7.3
79.37118	7.6
101.05843	7.1
103.05485	12.6
105.07036	46.4
131.04933	100.0
169.98889	8.8
210.96889	9.2
223.10925	7.8
240.11252	7.2
256.44498	8.2
279.17474	10.0
297.18515	34.0
302.92328	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	547.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10831	0.4
52.58369	0.4
55.05507	0.8
60.08175	0.9
60.51848	0.4
67.05504	0.4
69.03413	0.5
69.07069	0.7
79.05518	0.5
81.07046	1.0
81.78955	0.5
86.09708	3.5
91.05454	1.0
93.07024	1.2
95.04981	1.1
95.08620	1.0
97.06481	0.7
101.37347	0.4
103.05468	23.4
105.04543	0.6
105.07050	2.9
106.11185	0.5
107.08596	1.9
109.10151	0.9
117.06965	0.6
119.08608	3.5
121.06525	0.7
121.10145	1.9
123.08036	1.1
125.00032	1.1
128.36797	0.5
129.06955	0.6
131.04927	100.0
131.08595	2.1
133.06506	0.9
133.10100	2.2
143.08580	3.8
145.10117	2.1
147.08046	1.0
149.09654	0.9
155.08557	2.8
157.10146	2.5
159.08070	2.5
161.09558	1.1
165.07022	0.9
166.07628	0.5
167.08537	2.6
169.10129	4.3
171.08049	0.8
171.11659	2.1
173.09599	0.9
179.08553	1.7
180.09280	1.0
181.10141	5.4
183.11728	2.2
184.07335	14.4
185.07735	2.3
185.09441	0.7
185.13257	1.1
187.11249	1.9
193.10161	2.4
194.10878	1.0
195.11713	8.1
197.09634	1.0
197.13313	1.0
199.11259	1.0
201.12865	0.9
205.09975	0.6
206.10884	0.8
207.11714	1.9
208.08894	0.8
208.12447	1.2
209.09608	3.0
209.13274	6.7
211.11162	3.3
211.14752	0.6
219.11684	2.0
220.12358	0.5
221.13187	0.9
222.10410	2.2
222.14020	0.6
223.11171	3.1
223.14676	1.7
227.14391	0.9
231.11670	2.4
235.11133	0.8
235.14853	0.9
236.15622	0.8
237.12730	7.0
237.16422	2.8
246.14023	0.8
249.12791	0.8
251.17912	4.5
261.16406	2.4
264.15219	1.0
265.63800	0.5
269.19067	0.8
279.17398	16.9
296.84348	0.5
297.18475	9.1
321.17984	0.5
339.19507	4.5
357.20248	1.7
427.22717	0.9
441.76987	0.5
445.23740	0.6
468.99680	0.5
487.24362	5.0
495.69476	0.5
505.26068	0.6
547.27057	13.9
547.35577	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	547.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05533	4.6
79.05509	5.3
81.07063	5.6
91.05468	18.1
92.51496	3.9
93.07030	15.4
95.04993	5.9
95.08587	7.6
103.05474	25.3
103.79097	3.9
104.44722	3.7
105.07026	55.4
107.08604	21.6
109.06489	5.9
117.06995	4.0
119.08582	73.3
121.06521	8.0
121.10166	7.0
123.08051	6.3
127.98116	3.6
129.06999	8.3
131.04929	100.0
131.08537	22.8
133.10161	27.4
135.08063	40.6
135.08925	4.1
141.07069	4.2
143.08566	24.4
145.10078	32.8
147.07996	6.0
147.11629	6.7
155.08556	22.8
156.09253	4.2
157.10149	21.9
159.08041	8.2
159.11720	18.3
161.09610	29.2
165.06946	5.8
167.08554	16.5
169.10143	22.7
171.11705	8.2
173.09619	5.6
175.11235	4.7
178.11821	3.9
179.08655	8.4
180.09372	7.8
181.10077	36.0
183.11720	9.1
185.09592	4.5
185.13206	4.1
192.09386	4.6
193.10155	24.8
194.10980	9.4
195.11711	45.0
197.13165	12.3
205.10107	4.8
206.10915	21.3
207.11688	17.6
208.12491	7.1
209.13249	36.6
211.14832	5.3
215.08032	3.6
217.10176	8.0
219.11699	21.5
221.13260	31.9
222.14027	8.2
223.11258	5.8
223.14650	5.6
231.11710	19.3
232.12398	7.0
236.15617	6.2
237.12810	15.4
237.16423	21.6
239.14351	9.0
246.14085	19.8
249.12607	5.0
249.16119	3.8
251.17943	61.0
260.76025	4.5
261.16382	43.8
279.17398	83.5
295.13373	4.5
297.18439	27.8
339.19501	7.8
547.26080	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	547.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74555	0.7
60.08164	7.5
67.05460	1.0
69.07046	1.1
71.07369	1.2
74.16608	0.8
78.98424	0.8
79.05482	0.8
79.64505	0.9
81.07041	2.2
86.09695	21.8
87.10015	4.5
93.07021	3.5
95.04949	1.0
95.08582	5.9
97.06525	0.9
104.10744	36.6
105.06998	4.7
105.11098	8.0
107.08585	5.6
109.06509	1.5
109.10157	6.5
119.08563	9.1
121.06500	5.1
121.10119	4.3
124.99993	10.2
131.04843	1.2
131.08540	1.8
133.10126	4.8
135.11656	1.6
137.09598	4.2
137.10580	0.9
139.05049	0.9
145.10107	4.9
147.11696	7.7
149.09608	3.8
149.13249	18.9
151.11169	4.2
157.10077	1.5
159.11699	2.2
161.13229	4.8
163.03879	5.3
163.11107	2.0
163.14804	18.7
165.05443	9.8
171.11697	1.0
173.13251	1.6
175.07484	1.0
175.14775	1.7
177.12773	1.9
177.16405	1.6
179.10645	4.5
183.11754	1.1
184.07338	47.7
184.09007	1.6
185.07698	9.9
185.13251	1.2
187.14781	9.6
189.16371	11.2
194.70050	1.1
199.14668	1.2
205.15871	36.7
212.24010	0.9
217.15762	1.6
231.17410	1.4
239.17928	1.4
253.19452	1.5
273.22095	1.8
283.13480	1.3
301.14307	17.0
321.18353	1.9
329.17584	1.9
331.19348	1.6
335.16345	4.3
341.17322	1.3
343.18881	1.5
357.17444	1.1
357.22522	1.1
441.27759	2.2
459.29059	9.4
469.27090	1.9
477.30124	7.8
487.28293	11.3
501.33609	4.8
505.29453	9.2
511.31833	1.6
529.33282	15.7
547.34467	100.0
567.25226	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	548.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
58.60407	0.7
72.04479	2.9
72.53967	0.7
79.05441	3.5
81.03353	0.9
81.07023	0.7
91.05475	19.8
92.62509	0.7
93.06988	0.9
103.05419	1.1
105.07032	5.3
107.04948	10.3
107.08485	0.9
109.17789	0.7
117.06952	1.1
119.04936	71.0
119.08479	3.2
119.15155	0.6
121.06487	0.7
129.06906	1.6
131.04849	3.3
131.08452	4.0
133.06407	3.9
133.10028	4.4
134.09645	88.2
141.06856	0.8
143.08482	4.3
145.06377	1.0
146.07201	0.8
147.04399	100.0
147.10385	0.8
148.11104	3.2
149.05899	3.2
153.06921	2.4
155.08430	4.3
157.09975	3.0
158.07182	0.6
159.08005	0.9
165.05376	3.6
165.06866	10.9
166.07628	4.0
167.08549	23.2
168.09268	1.9
169.10107	6.2
173.22113	0.8
178.07710	1.2
179.08530	27.4
180.09312	14.8
181.06354	2.9
181.10103	18.3
182.07184	1.0
183.07933	1.7
183.11555	2.8
184.07269	1.0
185.09622	0.7
189.05371	6.0
189.06863	1.0
191.08511	1.2
192.09317	1.0
192.10187	1.2
193.10086	9.4
194.07207	1.0
194.10733	30.0
195.08052	9.9
195.11678	12.2
196.08823	5.9
197.09444	1.2
197.13165	1.2
203.08391	3.3
204.09302	10.1
205.09958	2.6
206.10796	2.7
207.06355	2.5
207.07951	9.3
207.11598	6.0
208.08704	5.6
208.12408	5.0
209.09486	6.9
209.13231	57.5
210.11206	9.1
211.11026	2.8
211.14655	3.5
219.11668	14.9
220.12250	1.4
221.09424	3.4
221.13167	4.8
222.10368	31.1
225.12820	0.9
227.14043	1.0
235.10944	1.4
236.11781	1.2
237.12712	81.5
239.14070	2.5
250.10564	1.2
252.12283	67.5
255.13655	4.0
269.15298	1.1
279.13730	1.7
297.12225	0.8
297.14777	11.9
299.16144	4.6
421.00064	0.8
488.23752	2.9
548.25940	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2641
Annotation	Cytochalasin L
Peak:m/z	Relative Intensity
51.60787	0.7
54.07848	0.8
67.21741	0.7
71.78337	0.8
72.04479	0.8
79.05499	0.9
81.03396	3.6
91.05477	22.9
93.97453	0.9
94.41193	0.8
95.04919	0.8
105.07021	1.5
106.41209	0.8
113.19138	0.8
117.06994	1.4
119.04934	34.5
128.52318	0.9
129.06970	1.7
133.06494	1.5
134.09654	62.0
143.08536	1.9
145.06503	1.2
147.04401	49.5
148.11208	3.2
153.06979	3.4
155.08545	22.9
165.05612	1.8
165.06950	7.4
166.07761	1.6
167.08553	13.9
169.10107	14.6
178.07768	4.0
179.08531	24.6
180.09305	9.3
181.10083	10.6
189.05446	1.9
189.06990	1.4
190.07816	1.0
191.08630	4.4
192.09314	12.3
193.10104	17.0
194.10912	24.2
195.08205	1.2
195.11681	14.1
203.08504	10.7
204.09334	34.8
205.10211	1.0
206.10898	9.7
207.11668	7.9
208.09258	0.8
208.12547	3.7
209.09598	1.7
209.13249	23.7
210.11244	12.7
211.11319	1.7
217.09944	0.9
218.11018	1.2
219.11682	40.0
221.09837	1.0
221.13245	13.3
222.10368	12.9
235.11113	1.9
237.12758	25.7
239.14288	3.8
250.10794	1.8
251.14381	3.6
252.12238	18.6
255.13989	1.2
275.73477	0.8
279.13779	3.3
281.15366	3.4
297.14865	7.7
339.15952	1.5
488.24271	7.5
530.25146	1.1
548.26398	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	548.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99517	0.6
52.32084	0.6
55.23954	0.5
59.56558	0.6
60.49368	0.6
63.40545	0.7
63.81127	0.6
67.05501	3.3
69.42952	0.6
72.04531	1.7
81.03423	1.3
81.07066	0.7
91.05484	13.8
95.04963	1.5
100.13503	0.6
105.07043	5.3
117.07043	3.1
119.04067	1.4
119.04938	42.1
121.19266	0.7
129.07010	1.7
131.08578	0.9
133.06474	1.2
134.09654	66.8
141.06953	0.9
143.08534	1.6
145.06433	1.1
147.04407	70.4
148.11230	1.0
153.06993	3.2
154.07707	1.3
155.08546	32.4
165.05473	2.7
165.06993	8.0
166.07802	4.1
167.08566	16.1
169.10121	12.7
178.07735	6.2
179.08554	30.5
180.09337	12.5
181.10123	15.4
189.05455	3.7
189.07027	1.4
191.08583	5.2
192.09291	12.8
193.10130	17.5
194.10902	31.5
194.12587	1.5
195.08083	3.2
195.11681	16.3
202.07590	0.8
203.08536	9.6
204.09354	26.2
206.10909	7.0
207.06482	1.6
207.11652	10.3
208.08913	1.7
208.12502	2.5
209.09572	0.9
209.13242	30.6
210.11290	7.2
211.11191	2.6
211.14861	1.4
218.10959	1.6
219.11673	35.4
221.13287	10.8
222.10387	17.8
232.20927	0.8
235.11125	0.9
236.12071	0.9
237.12724	27.9
239.14310	3.3
250.10719	3.7
251.14355	2.7
252.12303	32.0
255.13786	1.4
257.15439	0.7
279.13882	1.5
281.15445	1.3
297.14801	10.3
397.63184	1.2
488.24408	4.4
502.78464	0.8
503.10782	0.8
530.25220	3.2
548.26434	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	548.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67652	0.7
62.97617	0.7
72.04502	1.8
79.05474	1.7
81.03425	5.4
82.70229	0.9
88.22776	0.8
91.05477	55.3
93.07012	0.8
95.04990	0.8
105.07028	0.9
119.04943	26.7
129.07010	3.2
131.08533	1.2
132.08076	1.1
134.09650	79.7
136.72624	0.8
139.83774	0.7
141.06979	0.9
143.08528	3.8
147.04401	24.7
148.11185	4.8
154.19322	0.9
155.08572	1.8
157.10225	0.8
164.10707	1.1
165.05559	1.4
165.06944	9.9
166.07764	3.9
167.08559	13.8
169.10107	17.5
178.07762	4.5
179.08536	25.3
180.09355	10.4
181.10118	14.8
183.08163	1.1
189.05473	0.8
189.07016	3.0
190.07790	1.5
191.08521	8.1
192.09135	8.1
193.10114	19.4
194.10904	20.8
195.08063	1.7
195.11687	9.0
197.13327	1.0
202.07703	1.7
203.08545	13.3
204.09348	37.3
206.10895	16.1
207.08099	0.8
207.11699	8.1
208.09743	1.3
208.12419	6.1
209.09760	3.3
209.13242	33.9
210.11244	47.1
210.13231	1.8
211.11288	1.6
211.14815	1.8
218.10939	1.6
219.11673	51.4
221.09665	1.4
221.13255	25.4
222.10394	8.9
225.12775	1.6
235.11159	8.6
236.11951	0.8
237.12717	32.1
239.14278	3.5
251.14268	4.3
252.12256	9.6
253.12167	1.9
266.04636	0.9
279.13809	8.5
281.15305	6.2
297.14792	8.2
299.16431	3.9
311.17023	0.8
339.15894	6.9
355.15298	3.4
488.24271	15.0
548.26392	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	548.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
58.60407	0.7
72.04479	2.9
72.53967	0.7
79.05441	3.5
81.03353	0.9
81.07023	0.7
91.05475	19.8
92.62509	0.7
93.06988	0.9
103.05419	1.1
105.07032	5.3
107.04948	10.3
107.08485	0.9
109.17789	0.7
117.06952	1.1
119.04936	71.0
119.08479	3.2
119.15155	0.6
121.06487	0.7
129.06906	1.6
131.04849	3.3
131.08452	4.0
133.06407	3.9
133.10028	4.4
134.09645	88.2
141.06856	0.8
143.08482	4.3
145.06377	1.0
146.07201	0.8
147.04399	100.0
147.10385	0.8
148.11104	3.2
149.05899	3.2
153.06921	2.4
155.08430	4.3
157.09975	3.0
158.07182	0.6
159.08005	0.9
165.05376	3.6
165.06866	10.9
166.07628	4.0
167.08549	23.2
168.09268	1.9
169.10107	6.2
173.22113	0.8
178.07710	1.2
179.08530	27.4
180.09312	14.8
181.06354	2.9
181.10103	18.3
182.07184	1.0
183.07933	1.7
183.11555	2.8
184.07269	1.0
185.09622	0.7
189.05371	6.0
189.06863	1.0
191.08511	1.2
192.09317	1.0
192.10187	1.2
193.10086	9.4
194.07207	1.0
194.10733	30.0
195.08052	9.9
195.11678	12.2
196.08823	5.9
197.09444	1.2
197.13165	1.2
203.08391	3.3
204.09302	10.1
205.09958	2.6
206.10796	2.7
207.06355	2.5
207.07951	9.3
207.11598	6.0
208.08704	5.6
208.12408	5.0
209.09486	6.9
209.13231	57.5
210.11206	9.1
211.11026	2.8
211.14655	3.5
219.11668	14.9
220.12250	1.4
221.09424	3.4
221.13167	4.8
222.10368	31.1
225.12820	0.9
227.14043	1.0
235.10944	1.4
236.11781	1.2
237.12712	81.5
239.14070	2.5
250.10564	1.2
252.12283	67.5
255.13655	4.0
269.15298	1.1
279.13730	1.7
297.12225	0.8
297.14777	11.9
299.16144	4.6
421.00064	0.8
488.23752	2.9
548.25940	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19101	0.4
56.27402	0.6
72.04498	2.2
73.00460	0.5
79.05489	0.5
79.67192	0.5
81.03423	6.2
82.70919	0.6
84.77579	0.6
86.21955	0.5
87.91962	0.6
91.05478	55.0
103.05451	1.4
104.10735	0.7
105.07013	1.1
107.04923	0.8
119.04935	20.2
129.07011	0.8
132.08080	0.8
134.09648	76.3
143.08549	4.2
147.04405	13.2
148.11186	5.1
153.06972	1.2
155.08594	2.2
157.10150	1.1
158.59012	0.7
164.10712	1.5
164.48785	0.6
165.05696	1.0
165.06955	6.2
166.07799	1.2
167.08560	7.7
169.10115	18.1
178.07738	4.2
179.08527	23.3
180.09351	7.6
180.97871	0.7
181.10129	12.3
183.08011	0.8
183.11676	0.9
184.07297	1.0
189.07021	3.5
190.07730	1.4
191.08559	7.8
192.09148	6.1
193.10114	17.7
194.10899	18.1
195.08026	2.4
195.11681	12.6
197.09418	0.8
202.07736	1.1
203.08557	15.2
204.09337	44.4
205.10149	2.9
206.08081	1.2
206.08890	0.8
206.10876	16.6
206.12616	1.0
207.11659	5.1
208.09746	4.7
208.12523	5.5
209.09866	1.8
209.13249	22.8
210.11238	40.0
211.11278	2.5
211.14708	1.1
217.10075	1.2
218.10904	2.5
219.11682	60.7
220.12512	1.2
221.09682	2.6
221.13219	29.9
222.10342	8.2
233.13335	0.7
235.11159	6.8
236.11949	3.0
237.12727	28.7
239.14249	5.5
251.14305	3.3
252.12273	6.3
253.12161	1.1
255.13727	0.9
279.13785	7.8
281.15317	7.3
297.14951	4.4
339.15942	6.4
488.24246	18.2
548.26373	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	548.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01204	1.3
53.98736	1.2
54.08063	1.1
54.51629	1.0
59.53410	1.4
81.03407	1.7
91.05468	1.3
93.07010	1.7
95.04948	2.2
105.03383	29.1
105.07018	7.0
107.08561	1.9
117.07005	1.3
119.08544	2.6
131.08545	2.1
135.06863	1.3
135.08002	2.8
147.07999	1.9
157.10089	2.7
159.08049	3.0
161.09581	5.6
167.08588	2.5
169.10095	2.6
171.11594	2.1
173.09677	6.5
183.11711	5.4
184.24200	1.4
185.09608	1.7
187.11209	2.0
193.10126	2.6
194.10890	1.5
195.11621	2.5
197.09593	2.9
199.11224	1.5
201.12642	2.0
207.11688	2.5
209.13280	5.9
211.11127	11.5
213.12727	5.6
225.12747	2.3
227.14297	11.1
229.12228	3.3
237.12750	11.9
255.13759	13.4
257.64420	1.4
260.02161	1.4
267.17514	1.9
273.11826	3.2
273.14813	100.0
277.15869	2.7
295.16910	6.4
313.17975	9.3
350.09515	1.3
373.19919	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	548.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52058	4.5
70.06577	4.3
72.05352	4.5
74.47776	4.4
74.97581	4.3
81.07066	4.8
81.29813	4.6
97.92720	4.4
98.66629	4.7
103.05452	27.9
105.07027	16.8
107.04948	10.5
107.08604	8.6
110.36845	4.0
117.07038	8.7
119.08569	24.6
126.04800	4.1
126.83986	4.1
130.93515	4.0
131.04919	87.3
131.08592	8.5
132.05298	9.4
133.10167	15.9
135.08051	90.8
135.11755	5.2
143.08487	14.8
145.06464	8.0
145.10126	30.4
147.08017	17.6
147.11710	4.4
155.08574	22.7
157.10133	20.7
161.09566	8.7
164.99805	5.4
167.03134	6.3
169.10069	7.1
171.11606	4.9
173.09627	62.9
175.98413	49.8
183.11638	9.6
185.71449	4.3
195.11716	4.7
197.13324	9.7
201.99997	25.8
208.12474	7.8
209.11612	34.4
209.13420	5.6
221.13365	5.4
223.14796	6.1
237.16275	8.0
253.19408	6.2
281.18933	19.9
299.20056	23.2
323.34717	4.7
340.22464	5.6
380.06277	100.0
419.33853	5.8
488.27927	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17530	3.3
57.78735	3.1
67.05505	4.7
74.36256	3.3
79.05516	4.2
81.07052	6.2
91.05448	6.1
93.07043	21.8
95.04940	6.6
95.08595	15.6
105.07072	6.7
107.08593	16.1
117.07072	5.8
119.08597	38.0
133.10130	100.0
142.38147	4.0
143.08583	5.2
145.10126	50.0
147.11732	4.6
157.10228	5.4
159.11696	5.7
163.11163	19.8
168.86078	3.6
169.10120	4.4
171.11703	17.9
181.10062	8.3
183.11710	5.5
195.11725	17.6
197.13315	7.0
208.12836	3.6
208.95816	4.4
209.13280	27.1
223.14859	24.4
237.16573	5.2
265.16751	7.2
265.19473	71.7
283.20636	4.0
325.21680	5.8
385.23874	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	548.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72620	0.5
53.33974	0.5
55.05497	0.9
60.08172	6.2
66.48225	0.5
67.05498	0.7
69.03412	0.5
71.07365	0.6
81.07046	0.6
86.09705	22.6
91.05453	0.6
93.07018	0.8
95.08595	1.4
98.98444	0.8
101.51471	0.5
104.10739	9.1
105.96253	0.5
107.08575	2.3
119.08565	3.2
123.11729	0.8
124.99985	11.3
125.19901	0.5
133.10123	4.7
145.10103	4.7
147.11632	0.9
158.66542	0.8
159.16145	0.6
173.42323	0.6
183.11699	0.7
184.07327	100.0
195.11694	1.1
209.13191	2.5
223.15001	1.1
265.19489	5.3
283.20529	1.4
351.87268	0.7
362.02777	0.6
378.81543	0.6
425.56631	0.7
530.35669	1.3
548.36359	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	548.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72620	0.5
53.33974	0.5
55.05497	0.9
60.08172	6.2
66.48225	0.5
67.05498	0.7
69.03412	0.5
71.07365	0.6
81.07046	0.6
86.09705	22.6
91.05453	0.6
93.07018	0.8
95.08595	1.4
98.98444	0.8
101.51471	0.5
104.10739	9.1
105.96253	0.5
107.08575	2.3
119.08565	3.2
123.11729	0.8
124.99985	11.3
125.19901	0.5
133.10123	4.7
145.10103	4.7
147.11632	0.9
158.66542	0.8
159.16145	0.6
173.42323	0.6
183.11699	0.7
184.07327	100.0
195.11694	1.1
209.13191	2.5
223.15001	1.1
265.19489	5.3
283.20529	1.4
351.87268	0.7
362.02777	0.6
378.81543	0.6
425.56631	0.7
530.35669	1.3
548.36359	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	548.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00966	0.2
56.40170	0.3
58.06586	0.4
58.54348	0.2
60.07910	0.3
60.08168	6.1
67.05494	0.6
69.07064	0.3
71.07360	1.4
75.20855	0.3
81.07040	0.3
83.08626	0.3
86.09702	23.7
91.60659	0.3
93.07017	0.4
94.07338	0.3
95.08595	1.2
98.98441	0.5
104.10741	10.0
109.10112	0.4
119.08547	1.2
120.75715	0.3
124.99099	0.5
124.99995	13.1
131.04897	2.1
132.05275	0.3
161.09534	0.4
169.10056	0.4
170.10443	0.3
171.11603	0.5
184.07330	100.0
195.11610	0.4
204.49490	0.3
238.13191	0.4
279.17499	0.5
280.17786	0.6
297.18579	0.4
298.18878	0.7
340.19617	0.4
501.70789	0.3
530.36102	1.5
548.28021	0.7
548.37048	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58309	0.6
55.21589	0.5
81.03417	0.9
81.07050	2.9
84.35118	0.6
85.02881	0.6
95.08547	0.7
107.08584	1.0
109.02890	0.8
109.10141	2.9
109.36803	0.6
119.04926	2.7
123.04424	23.6
124.07617	0.7
133.10132	1.1
139.03896	0.9
145.10173	0.7
147.04408	20.6
149.05968	1.2
149.09502	0.7
151.03906	76.3
161.05943	0.8
163.03868	2.6
165.05457	13.5
177.05502	3.8
191.10599	0.7
195.10080	0.9
201.09140	2.8
207.06485	1.4
219.10158	100.0
249.11284	0.9
303.08447	1.3
327.08453	0.8
371.14880	58.3
538.40900	0.7
549.20142	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	549.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18859	0.3
51.67043	0.4
53.08793	0.4
63.88276	0.4
73.86174	0.4
85.02879	0.8
95.01048	0.7
96.01861	0.5
108.27859	0.4
109.45382	0.4
112.01302	0.6
113.02200	0.7
121.96895	0.5
151.07588	0.5
185.04201	3.0
235.38242	0.4
306.86365	0.4
352.11292	4.0
549.19421	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	549.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70670	1.0
62.07314	1.0
75.46944	1.0
79.58442	1.1
86.45260	1.0
96.08105	1.3
114.09171	7.8
123.04419	1.3
129.74190	1.2
147.04376	2.0
151.03899	5.5
189.97533	1.1
219.10097	6.0
238.44647	1.4
371.14774	4.9
549.20917	100.0
549.40466	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	549.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36240	0.4
51.59172	0.5
53.03947	2.6
57.85339	0.6
74.42268	0.6
77.03934	2.7
79.29557	0.5
91.05471	0.8
92.17851	1.3
95.04980	9.6
97.06512	0.9
101.88727	0.6
105.03397	100.0
105.04532	3.6
105.07018	3.6
109.06543	4.9
117.06986	0.6
119.04881	0.6
121.06493	1.1
123.04435	4.8
125.05994	1.1
128.06218	0.6
129.07019	2.1
131.08499	0.9
133.06496	1.0
137.05957	0.7
139.07558	0.9
141.06984	1.0
143.08546	2.3
145.06499	2.4
151.07547	0.7
155.08537	2.9
157.06546	1.3
157.10115	2.1
159.08055	1.2
161.05942	0.8
165.07021	1.3
167.08586	2.9
169.10149	0.7
171.08023	2.1
171.11682	0.7
178.07852	0.6
178.83879	0.6
179.08557	2.4
180.09337	1.0
181.10071	4.3
183.08104	2.7
185.09607	1.3
192.09447	0.8
193.10162	4.5
193.11711	0.6
194.10956	0.9
195.08073	2.1
195.11650	2.7
197.09631	2.2
199.11235	1.0
203.08571	1.1
204.09386	2.5
205.10147	2.7
207.11700	3.1
208.08867	1.3
209.09604	2.6
209.13261	2.2
211.07617	0.9
211.11285	2.2
213.09079	1.2
213.12764	1.0
217.10277	1.1
218.10869	2.3
219.07964	0.7
219.11719	3.8
221.09613	2.5
221.13300	2.6
222.10468	1.3
223.11205	5.3
223.14706	0.7
225.09111	5.1
225.12794	1.2
233.13319	2.8
235.11183	3.7
236.12146	0.7
237.12761	3.7
241.12231	4.4
246.10468	0.8
247.11201	2.8
249.12762	3.5
251.14355	1.0
253.12219	1.0
261.12744	3.5
263.10712	1.0
265.12292	2.9
267.13852	0.8
271.10861	0.6
279.13751	5.2
283.13333	2.5
286.31125	0.6
289.12427	0.9
295.13434	1.4
297.15176	0.7
307.13354	6.1
325.14325	17.3
329.30618	0.8
343.15341	0.8
353.15384	1.4
355.15442	2.4
367.15286	0.9
384.17792	0.7
385.16537	2.2
416.96899	0.6
447.18054	9.9
475.24570	0.7
489.19299	1.0
507.19589	1.0
549.21259	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
59.17088	0.9
67.05508	1.1
70.19650	1.0
71.05005	0.8
81.07076	0.9
81.22787	0.9
91.05459	2.0
93.07036	1.1
95.04967	10.8
95.08637	0.8
100.62366	0.8
104.39741	0.8
105.03393	100.0
105.04538	4.1
105.07034	2.1
109.06512	4.9
121.06476	1.0
123.04409	1.7
131.04892	1.0
131.08571	1.8
133.10098	1.4
135.55022	0.9
138.25626	0.9
145.06459	1.6
155.08510	1.2
157.10117	1.3
157.48787	0.9
159.08028	1.3
161.05957	1.1
167.08574	1.7
169.06451	0.9
169.10101	1.5
181.10120	4.3
183.08133	3.4
185.09653	2.1
193.10158	3.2
195.08209	1.8
195.11717	4.9
199.07434	0.9
199.11188	1.5
204.09488	1.1
205.10190	2.0
207.11708	4.7
209.13283	1.3
211.07556	1.0
213.09209	1.0
218.10922	1.5
219.11746	4.1
220.08783	1.2
221.09624	1.5
221.13216	1.5
223.11279	6.2
225.09129	6.0
231.11583	1.1
233.09627	0.9
233.13138	1.3
235.11185	4.8
237.12776	4.7
241.12241	3.8
247.10954	1.3
249.12825	1.6
261.12662	1.3
265.12216	4.4
277.12369	1.2
279.13751	4.7
283.13315	3.8
295.13501	1.0
307.13342	5.4
325.14319	13.6
353.15454	1.4
355.15485	1.7
385.16418	3.5
386.97147	1.0
447.18079	8.4
460.52884	1.1
489.18756	1.0
549.21033	16.2
549.34204	1.7
553.01593	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	549.2309
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate
Peak:m/z	Relative Intensity
53.63087	1.1
58.97873	1.0
70.80816	1.0
110.16145	1.2
123.04432	6.0
133.97569	1.2
137.05989	1.8
147.04407	2.7
151.03906	18.6
165.05499	1.9
178.56726	1.2
217.06366	1.3
219.10124	21.0
281.11533	2.6
311.12555	2.1
369.16946	2.6
371.14883	18.2
429.18835	11.0
451.40732	1.1
489.20966	100.0
549.23029	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2307
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate
Peak:m/z	Relative Intensity
71.28250	0.5
82.54630	0.6
84.01418	0.7
87.57254	0.6
92.18528	0.9
103.70560	0.6
110.63863	0.6
119.04911	0.6
124.32169	0.6
140.10939	0.7
153.00539	0.8
157.10228	0.7
182.10976	0.6
195.11705	1.0
197.13202	0.8
212.09534	0.6
223.11107	0.7
225.12550	1.0
273.23453	0.7
293.11548	1.1
301.17932	0.7
311.12494	1.4
325.70715	0.8
353.13556	1.4
369.16537	0.8
371.14502	2.4
395.95584	0.6
401.15543	3.0
429.18857	4.2
446.26849	0.7
449.36252	0.8
489.20898	3.1
549.23035	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	549.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63087	1.1
58.97873	1.0
70.80816	1.0
110.16145	1.2
123.04432	6.0
133.97569	1.2
137.05989	1.8
147.04407	2.7
151.03906	18.6
165.05499	1.9
178.56726	1.2
217.06366	1.3
219.10124	21.0
281.11533	2.6
311.12555	2.1
369.16946	2.6
371.14883	18.2
429.18835	11.0
451.40732	1.1
489.20966	100.0
549.23029	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93928	1.4
55.01875	1.7
55.81352	1.4
57.03432	8.8
61.02572	1.3
61.02880	13.0
69.03442	19.3
69.03758	2.3
69.99742	1.7
73.02880	1.7
81.03408	10.8
83.48313	1.6
85.02905	93.3
85.06548	1.7
87.04469	3.5
91.03959	3.9
95.08620	3.3
97.02885	33.9
97.06540	2.6
99.04440	8.9
105.07034	1.7
107.08588	1.9
109.02869	13.2
109.06505	3.2
109.10090	1.4
119.08575	3.1
121.10104	3.6
123.08047	38.0
125.06059	1.7
127.03903	21.9
131.04887	2.1
133.10118	3.8
145.04936	19.9
145.10086	2.8
147.11652	2.3
151.07539	79.1
152.50208	1.6
153.09099	2.2
163.11174	16.1
181.12286	3.3
189.12740	24.1
207.13795	45.7
209.15352	3.3
225.14903	10.6
349.54834	1.6
368.90848	1.8
387.20187	9.1
531.24274	6.5
549.25458	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	549.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47775	21.0
81.07076	25.6
105.07047	46.7
107.08611	32.7
119.08572	100.0
124.31737	20.4
131.04941	86.9
143.08533	45.2
157.10141	29.3
183.11621	30.4
197.66751	20.1
281.19031	97.3
450.57220	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18118	10.0
58.73544	11.6
67.05489	20.5
68.52627	11.2
77.89152	11.6
81.07066	46.1
82.98965	10.3
93.07038	16.9
101.57024	11.7
103.05471	14.6
105.07010	27.8
107.08607	17.2
109.06499	13.2
109.10155	54.2
119.08607	21.1
131.04921	100.0
133.10115	76.8
135.11668	16.9
139.67044	11.4
143.08577	22.0
145.10129	25.4
154.49451	11.1
157.10150	22.5
161.09644	14.7
169.10139	20.8
171.11766	11.8
175.11142	13.0
177.37762	11.1
181.10191	14.3
182.01846	14.5
183.11739	20.8
185.13174	17.3
195.36072	12.2
197.13263	26.9
201.12704	16.0
207.11716	17.1
221.13329	19.8
225.12753	17.2
253.19725	18.4
263.17969	52.0
281.18964	65.8
324.92618	11.0
364.23026	15.2
502.20645	14.0
549.36670	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
57.04941	3.0
57.07079	3.9
58.24710	3.2
67.05502	6.8
69.07072	4.9
79.05483	6.7
81.07053	16.2
83.18641	3.4
88.41270	3.6
91.05467	19.5
92.70399	3.4
93.07041	46.9
95.04987	4.4
95.08587	19.3
103.05460	22.3
105.07042	38.7
107.08605	16.4
109.10160	6.9
117.06994	7.3
119.08582	41.5
121.10126	15.8
128.06241	5.3
129.07007	15.7
131.04918	100.0
131.08543	23.3
133.10132	26.8
133.59277	4.5
135.11636	4.4
137.09595	7.3
143.08568	56.2
145.10107	36.6
147.11673	6.3
149.09598	14.4
155.08572	23.0
157.10133	36.4
157.66534	3.5
159.11690	4.5
161.09637	7.4
165.07051	5.2
166.07713	5.1
167.08546	13.6
169.10080	28.0
171.11671	15.2
175.11150	5.0
179.08539	15.1
180.09273	5.5
181.10109	45.4
183.11700	22.6
185.13213	4.7
187.11203	6.5
193.10121	19.7
194.10938	8.9
195.11682	39.5
197.09636	5.1
197.13318	18.5
206.10838	6.4
207.11673	7.4
208.12457	17.0
209.13367	4.5
219.74350	3.8
221.13185	8.8
223.14790	90.2
225.12701	7.2
233.13217	8.0
235.14900	4.5
241.15892	6.6
248.15680	7.0
253.19589	15.0
263.17908	29.5
281.18985	58.1
299.20032	18.9
341.21085	19.2
342.85336	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	549.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03135	1.8
57.07079	16.6
58.39413	1.7
62.50145	1.9
67.05486	2.2
69.07072	4.3
73.58020	2.0
75.11206	2.0
79.05477	2.3
81.07056	4.7
91.05463	2.6
93.07025	4.4
95.04963	2.9
95.08578	3.0
97.06490	3.8
103.05462	4.2
105.07049	16.0
106.45220	2.1
107.08580	3.9
109.06545	3.2
109.10141	4.0
117.07006	3.2
119.08562	23.1
121.06488	4.6
121.10128	8.4
129.06931	2.4
131.04877	17.6
131.08522	5.1
133.10120	13.2
135.08063	2.9
137.31111	2.4
143.08554	12.6
145.06465	100.0
145.10118	13.4
147.08070	3.2
147.11708	3.3
155.08543	11.3
157.10138	16.6
159.11670	10.4
161.09668	2.4
163.07523	30.6
169.10100	16.2
171.11664	12.3
173.13278	3.0
179.08521	3.1
181.10138	3.6
183.11682	18.0
187.11226	2.7
189.09172	2.1
193.10092	3.2
195.11726	3.6
197.09512	3.2
197.13278	11.4
199.11272	2.9
201.12828	3.6
205.08592	14.8
206.10985	2.8
207.11684	10.8
211.11174	3.8
211.14763	2.2
219.11888	2.9
221.13295	4.1
225.12865	7.4
234.14003	2.1
239.14156	2.7
239.17966	13.7
247.13237	2.9
249.16350	4.3
253.19536	3.7
257.18890	2.7
263.17957	2.6
267.17432	34.1
281.18942	15.4
285.18460	22.2
299.20142	2.9
299.88901	2.4
307.15192	3.9
327.19571	23.7
387.21948	2.8
415.35870	2.3
442.66962	2.0
549.28375	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	549.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11777	3.8
60.01410	3.8
67.05499	6.7
67.62749	4.1
73.23611	4.1
81.07045	25.4
92.17822	5.7
93.07032	5.5
95.08643	5.0
99.08076	7.1
107.08578	7.8
109.10147	38.9
114.09161	28.8
116.85159	4.0
135.11662	4.5
151.26825	4.5
263.14249	5.2
283.16956	17.4
299.16418	6.4
301.17950	100.0
321.75586	5.4
341.20822	7.5
353.21164	6.7
409.27228	56.8
453.30093	26.1
469.29373	25.7
471.30991	24.7
513.31842	18.9
524.41125	5.0
531.32953	5.4
549.21979	5.2
549.33173	4.8
549.40533	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74772	16.1
61.27491	16.9
64.09415	23.5
67.05500	45.1
69.07041	18.0
81.07048	47.0
93.07051	19.5
95.08595	100.0
97.10143	19.6
107.08630	28.8
109.10130	45.2
133.10107	28.1
135.11702	37.1
251.20041	47.0
280.74368	20.0
531.44080	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26050	5.4
56.80688	5.7
69.03427	10.0
71.91045	6.1
81.03409	11.8
83.04977	7.7
93.07040	9.8
95.04937	14.5
95.08604	10.5
95.33296	6.8
104.17725	7.1
105.07034	29.7
107.08607	13.0
109.06493	8.4
117.07038	9.3
119.08583	12.6
121.06515	8.9
123.04396	11.8
125.09713	6.7
129.07024	7.5
131.08578	27.9
133.06458	9.5
133.10146	12.0
135.08047	9.6
137.09578	9.9
141.07014	6.9
143.08553	36.0
145.06465	8.0
145.10190	10.4
147.08000	9.9
149.06018	8.9
149.09642	6.6
155.08531	13.6
156.09386	14.0
157.10146	34.8
159.08090	30.7
159.11655	15.7
161.05910	8.3
161.09593	8.3
165.07030	7.6
166.07651	7.2
167.08524	11.2
169.10063	24.5
171.08080	13.8
171.11670	33.6
173.09604	26.5
179.08626	11.4
180.09227	6.5
181.10138	49.3
183.08035	8.4
183.11604	24.8
185.06096	6.5
185.09605	32.0
185.13193	10.3
187.11131	14.8
189.12788	15.6
192.09332	12.5
193.10143	33.2
194.10931	9.6
195.11682	44.4
197.09608	27.9
197.13278	26.6
199.11169	35.0
205.10164	13.8
206.10841	8.7
207.11705	34.4
209.09656	31.7
209.13260	24.3
210.10440	7.2
211.11198	40.0
213.12743	29.3
215.07111	7.5
217.10223	9.9
221.09671	7.5
221.13257	33.5
222.10402	7.1
223.11209	26.4
223.14816	26.4
225.12717	32.6
227.14308	12.8
235.11194	10.9
237.12733	23.6
237.16371	14.7
239.10576	10.7
239.14359	36.2
241.12267	9.1
247.14809	15.1
249.12671	8.9
250.13475	8.2
251.10922	8.2
251.14256	12.1
253.12218	13.7
253.15923	11.7
255.17284	8.0
263.14331	26.2
265.15839	41.5
267.13815	30.7
269.15402	23.2
275.14346	9.7
281.15338	40.3
283.16837	34.1
293.15338	68.9
299.16513	11.1
310.17908	7.8
311.16479	100.0
328.19125	7.8
329.17279	55.0
353.17484	26.6
370.20084	32.1
371.18503	42.3
388.21298	8.9
389.19681	41.0
431.20715	8.8
449.21503	23.5
490.24527	98.9
550.26416	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.28
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78835	0.5
67.05459	0.7
69.03428	5.4
72.04512	0.7
73.36153	0.5
79.05501	6.7
81.07040	0.7
91.05444	0.6
92.98148	0.5
93.07017	1.1
97.03312	0.6
105.07024	2.7
107.04952	100.0
117.07010	0.9
119.08566	2.8
121.06438	1.5
129.06999	1.3
134.09651	14.0
135.08060	0.7
143.08575	2.4
145.06447	1.2
147.08058	1.0
149.05969	17.5
155.08563	2.9
157.06462	1.2
159.08049	0.9
165.07042	1.0
167.08531	4.5
169.10132	2.6
171.07932	0.7
178.18265	0.6
179.08536	4.3
180.09338	1.0
181.10129	4.4
185.09491	0.7
193.10114	1.2
194.11819	56.5
195.08089	3.2
195.11737	2.7
204.09332	3.8
208.08847	1.4
209.09621	3.0
209.13225	15.4
211.11185	4.4
219.11705	5.9
222.10399	9.3
227.14320	1.1
237.12721	26.7
255.13806	6.1
297.14743	4.7
357.16986	6.6
490.25934	11.6
550.27966	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04404	1.1
64.47282	1.2
67.05500	1.7
76.41342	1.1
79.05489	10.9
81.03437	2.6
91.05453	3.2
92.17818	2.4
95.04917	1.2
95.56959	1.3
105.07045	3.0
107.04953	100.0
107.08551	1.6
119.08569	3.0
119.74570	1.3
122.87511	1.4
123.04397	1.8
129.06987	1.6
131.08589	2.5
133.10091	1.6
134.09639	40.7
141.23758	1.3
142.07709	2.1
143.08562	6.6
147.07996	1.7
147.11685	1.6
149.05988	16.4
155.08614	5.0
157.10118	3.1
159.08112	2.0
165.06966	11.4
166.07750	3.3
167.08578	18.1
168.09277	1.5
169.10139	5.4
171.08015	2.6
171.11678	2.9
173.09622	2.5
179.08524	20.2
180.09323	16.1
181.10121	22.4
183.08145	1.3
183.11719	2.6
185.09544	1.7
187.11192	2.1
189.12778	2.7
192.09207	1.7
193.10139	11.1
194.11958	54.8
195.08063	2.4
195.11688	10.7
196.08813	2.3
197.09683	2.7
197.13306	5.5
199.11195	3.0
204.09166	1.6
205.10222	2.2
207.08133	1.5
207.11632	10.1
208.08855	2.0
208.12462	2.9
209.09729	5.4
209.13249	51.1
211.11156	6.4
211.14694	2.0
213.12814	2.7
219.11691	6.6
220.98116	1.3
221.09528	2.0
221.13309	2.2
222.10350	7.7
223.11203	5.7
223.14810	3.0
225.12733	1.9
235.14728	1.8
237.12712	19.3
239.10747	1.6
239.14351	8.1
251.14413	2.1
253.12265	1.6
255.13860	1.9
265.15933	2.4
268.91086	1.3
269.15308	2.6
281.15298	3.1
283.17010	1.9
293.15250	5.4
297.14984	3.2
299.16467	2.8
311.16501	8.8
318.55951	1.6
329.17639	2.0
371.18393	2.0
389.19540	2.4
408.15463	1.4
447.72769	1.7
462.26361	2.1
490.25104	20.2
550.27875	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48551	0.5
66.41898	0.5
69.03427	6.2
79.05498	8.9
91.05462	1.0
93.07035	0.8
95.04947	0.7
96.43816	0.5
105.07010	1.0
107.04954	100.0
111.08052	0.6
117.07004	0.6
119.08578	2.9
121.06477	1.2
129.06990	1.1
131.04933	2.2
134.09673	12.2
135.07985	0.7
143.08583	2.6
145.06470	1.3
147.08055	1.1
149.05974	17.3
150.16743	0.5
155.08536	3.2
159.08005	1.1
165.06999	1.1
167.08519	7.3
169.10146	4.2
173.09657	0.8
178.07857	0.5
179.08578	5.7
180.09322	2.2
181.10158	5.8
193.10115	3.4
194.11833	62.8
195.08089	2.6
195.11732	3.1
196.08699	0.7
204.09322	4.2
207.08073	0.9
207.11752	0.6
208.08768	0.9
209.09639	2.9
209.13234	16.8
211.11131	4.3
213.09201	0.8
213.12909	0.6
219.11673	5.5
222.10379	10.5
223.62688	0.6
225.12651	0.5
227.14192	1.9
235.11069	1.1
237.12747	22.8
255.13898	5.3
297.14957	4.2
315.16049	0.8
357.16928	6.7
490.25806	12.5
550.27930	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74286	1.1
69.03419	6.9
79.05495	8.5
79.90039	1.1
107.04955	100.0
119.08561	2.2
120.72687	1.3
121.06503	2.0
130.85342	1.3
131.04926	1.3
134.09662	12.3
143.08528	1.7
149.05969	17.0
160.66197	1.5
167.08569	7.1
169.10078	2.1
171.08072	1.4
179.08585	6.0
180.09326	2.5
181.10129	4.6
193.10162	2.9
194.11830	56.6
195.08058	2.9
204.09389	2.8
207.11763	1.4
209.09584	2.3
209.13228	15.6
211.11275	1.4
219.11784	9.6
222.10374	12.7
227.14355	2.3
237.12781	27.0
255.13768	7.0
297.14792	4.6
320.16156	1.4
347.06082	1.5
352.79935	1.3
357.17044	5.6
403.38409	1.5
429.79807	1.3
490.25922	13.6
550.27985	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62364	1.2
52.46992	1.3
74.06074	1.4
79.05504	7.4
81.07056	1.6
83.58799	1.3
91.05478	7.5
95.04929	1.9
98.37489	1.6
105.06998	1.8
107.04952	100.0
129.06981	1.6
130.53612	1.5
133.10126	2.7
134.09653	59.3
143.08585	2.0
149.05957	21.0
165.06976	12.7
166.07756	2.7
167.08548	22.3
168.09410	1.7
169.10083	2.6
179.08534	25.6
180.09312	16.8
181.10112	17.4
183.08076	2.3
191.19128	1.8
193.10103	8.1
194.11935	69.3
195.07915	1.6
195.11736	5.7
204.09344	2.8
207.11678	8.0
208.12463	5.8
209.09970	1.6
209.13242	59.4
210.11261	5.1
211.11078	2.1
211.14688	2.5
219.11707	5.5
222.10382	9.2
233.13068	1.6
235.11191	1.6
237.12724	20.8
239.14333	5.7
255.13728	1.8
265.15778	1.6
297.14886	1.9
299.16470	2.6
462.26514	2.6
490.25946	15.8
550.27985	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2798
Annotation	Zygosporin F
Peak:m/z	Relative Intensity
54.15598	1.3
56.56747	1.5
67.93291	1.5
69.03419	4.1
79.05479	6.8
79.55182	1.6
86.09662	2.1
91.05409	1.8
107.04950	100.0
109.06516	1.7
119.08571	2.3
125.73331	1.6
134.09647	14.3
143.08575	2.4
149.05942	16.5
152.78780	1.6
155.08511	2.5
167.08501	3.3
169.09908	2.0
179.08505	7.9
181.10117	4.2
184.07347	10.9
193.09975	1.9
194.11833	54.2
195.11555	2.3
198.12747	1.9
203.55724	1.6
204.09323	3.4
209.09644	2.2
209.13184	17.5
219.11673	8.4
222.10378	8.2
227.14343	2.3
237.12720	29.2
246.50494	1.8
255.13789	7.4
257.99731	1.8
297.14948	1.9
343.87335	1.7
357.16794	4.1
434.12137	1.9
445.76959	1.8
490.25568	14.8
528.52252	2.1
550.27899	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99646	7.5
53.56469	7.3
59.10815	8.0
66.41116	7.8
72.08007	7.1
78.37756	7.8
117.07109	8.1
119.08565	21.0
133.10158	15.2
145.06461	100.0
147.08055	56.4
147.11766	10.3
159.11638	15.0
163.07565	12.7
165.09068	41.6
171.11690	15.1
183.11716	11.8
183.56879	11.1
188.19432	8.3
193.10243	9.2
197.13324	14.9
197.33841	8.5
205.08510	11.4
223.14861	10.2
225.12723	12.5
234.14040	13.4
239.17999	33.2
249.16280	16.8
265.10629	19.2
267.17462	95.1
285.18613	19.0
327.19571	95.1
384.69855	11.5
387.21490	86.3
441.15845	10.3
456.00360	11.4
550.30170	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.2
67.05503	4.9
69.07059	2.5
69.10273	2.0
79.05499	2.4
81.03396	2.9
81.07053	11.3
91.05481	4.4
93.07047	18.3
95.04956	8.4
95.08596	13.5
105.07000	16.6
107.08589	15.3
109.10174	16.2
111.08044	3.1
116.85619	2.0
117.06987	12.9
119.08575	52.0
121.10125	9.3
129.07086	2.7
130.07739	3.9
131.08574	4.3
133.10126	100.0
135.08031	4.6
135.11700	3.6
137.09621	4.2
143.08484	6.8
145.10129	65.3
147.11673	15.0
155.08514	2.9
155.20877	1.9
157.10120	12.0
159.11662	14.7
161.09575	3.2
163.11137	22.9
165.06952	2.1
167.08493	3.3
169.10115	11.9
171.11685	16.9
173.13194	4.1
181.10104	4.3
183.11600	14.3
185.13235	2.2
189.12686	2.3
195.11694	24.0
197.13213	12.7
208.12425	3.9
209.13249	30.3
210.14044	2.3
221.13292	2.4
223.14859	19.0
235.14854	3.1
237.16327	4.2
250.17038	4.2
265.19495	67.5
283.20593	3.7
325.21613	8.8
385.23703	21.7
490.31723	2.7
550.33661	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	550.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12973	2.9
56.93709	2.9
81.07059	3.4
84.28734	3.9
91.05476	6.0
91.93685	3.8
93.07029	19.0
93.40196	3.4
95.04978	7.7
95.08572	6.3
105.07021	18.0
107.05003	4.2
107.08592	13.0
109.10169	5.8
117.06980	6.5
119.08560	38.2
131.08553	4.2
133.10126	100.0
136.23302	3.3
137.09639	4.7
143.08533	8.0
145.10123	63.7
147.11723	6.4
157.10170	6.8
159.11716	14.1
163.11151	14.3
169.10146	5.0
171.11671	19.4
173.13290	4.0
179.08662	4.7
181.10063	5.1
183.11737	4.8
185.13246	5.0
195.11668	17.1
197.13258	8.0
208.12442	4.0
209.13281	17.6
223.14828	15.7
226.33257	3.5
250.17188	4.0
265.19443	66.8
274.06567	3.2
283.20493	5.8
323.47742	4.4
325.21600	5.6
385.23651	24.6
550.33453	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	550.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53095	5.6
67.05484	9.9
68.09209	6.3
74.85160	5.5
76.50530	5.6
81.07056	8.0
84.34116	6.4
88.07630	11.3
91.05473	9.2
93.07018	14.1
95.04974	7.4
95.08601	13.2
105.07016	12.9
107.08588	6.6
109.10165	10.2
119.08567	63.1
121.10107	24.7
131.08591	9.3
133.10132	98.8
135.08038	12.8
135.11693	6.6
137.09689	6.1
143.08530	13.9
145.10114	65.8
147.11679	7.7
157.10081	26.8
161.09625	9.1
171.11688	12.4
183.11705	12.3
185.13170	10.7
195.11702	13.4
197.13287	12.0
208.12411	7.6
209.13312	35.4
223.14691	22.8
256.26312	54.9
265.19501	100.0
283.20407	12.4
321.20526	7.8
325.21716	11.9
385.23682	39.1
393.78149	7.0
550.44885	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56371	4.3
65.89680	3.6
66.45023	3.6
67.05495	6.3
79.05488	9.2
81.07037	7.2
91.05467	7.9
93.07038	21.5
95.08604	9.8
96.47105	3.9
105.07061	8.9
107.08579	6.6
133.10089	5.6
147.11743	8.9
171.11697	5.5
236.26656	5.2
281.17514	31.3
412.88016	4.3
487.30576	100.0
550.37756	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02318	3.9
50.94169	4.3
53.37589	3.5
60.33297	4.3
67.05508	10.8
67.65553	4.6
68.77610	4.5
69.03428	9.2
71.20939	4.5
71.80653	4.9
79.05477	8.3
81.03413	27.8
81.07068	22.5
91.05455	10.9
92.18512	6.4
93.07035	45.4
95.04950	25.8
95.08580	22.7
105.07017	19.1
107.04901	4.9
107.08575	30.5
109.10158	65.7
111.08042	5.3
112.60567	4.7
115.46946	4.3
117.06976	6.2
119.08578	59.0
119.12772	5.0
121.10136	28.4
133.06488	7.3
133.10115	100.0
135.08028	68.9
135.11598	6.0
145.10149	46.9
147.11646	18.2
149.13245	5.0
159.11681	7.5
161.09639	72.7
163.11137	36.8
171.11653	6.9
173.13234	9.4
182.17593	5.0
184.07327	8.8
209.13519	5.5
231.10820	5.4
255.21074	7.4
256.26334	11.0
265.19513	10.8
283.20551	65.9
343.22763	44.2
343.26282	5.4
422.23251	5.9
445.29410	31.9
550.37524	58.3
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	Butenoyl PAF
Peak:m/z	Relative Intensity
52.16645	0.8
60.08167	11.7
71.07384	2.2
79.46790	0.8
86.09706	33.0
92.17979	1.3
95.08632	1.3
100.18752	0.8
104.10744	74.4
108.95103	0.9
124.99994	16.9
163.54842	0.9
173.92885	1.1
178.75632	0.8
184.07333	100.0
224.51141	1.2
258.11179	1.1
532.37598	5.1
550.38666	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63186	0.9
51.14305	0.8
53.03940	1.9
55.05498	1.1
57.54200	0.9
58.56349	1.0
65.07005	0.9
67.05509	1.4
69.03410	1.6
71.44298	0.9
72.68752	1.0
75.37623	1.0
77.03920	2.0
79.05511	4.1
81.07047	2.1
83.00983	1.0
91.05475	7.0
93.07012	8.2
95.04961	11.0
97.90887	1.2
105.03392	100.0
105.04528	6.2
105.07026	10.0
106.33381	1.0
107.04946	1.9
107.08603	5.4
109.06503	5.2
112.45971	1.1
117.06995	1.4
119.08562	5.2
121.06524	9.7
121.10139	4.6
128.06218	1.9
129.07039	1.9
131.08568	9.8
133.06548	2.5
133.10146	9.1
135.08047	5.0
143.08586	7.8
145.06487	2.6
145.10132	3.9
149.05959	4.2
149.09624	2.0
155.08496	2.1
157.10132	4.9
159.08026	12.6
159.11671	1.5
160.08853	1.7
161.09619	9.0
167.08524	2.2
169.10085	6.8
171.11685	1.8
173.09570	1.8
175.07491	1.4
177.05457	1.2
177.09074	1.6
179.07158	1.4
179.08583	6.5
180.09306	1.7
181.10155	5.0
183.08159	2.1
183.11688	4.4
187.11157	1.3
191.08559	1.3
192.09335	2.1
193.10100	9.0
194.10916	4.2
195.08046	2.2
195.11710	8.5
196.08804	2.0
196.12532	1.8
197.09630	5.7
199.11169	1.2
201.09225	1.3
204.09386	1.3
205.10162	5.3
206.10902	7.0
207.11707	6.1
208.08746	1.5
208.12433	1.4
209.09593	5.1
209.13258	4.2
210.10315	1.1
211.11217	6.9
213.09132	1.4
213.12714	2.0
216.11452	1.7
219.11697	6.5
220.12480	9.6
221.09586	1.7
221.13264	4.7
222.10445	5.3
223.11151	7.4
224.12070	1.7
225.09090	1.8
225.12617	3.6
230.10838	5.1
233.09598	8.1
233.13191	1.7
234.10397	2.1
235.11215	2.3
235.14781	9.1
237.12733	9.2
238.13504	2.0
239.10597	2.2
239.14279	1.9
245.13242	5.5
247.11188	4.6
248.11957	9.0
249.09073	1.4
249.12720	6.0
251.10602	1.6
251.14299	1.8
253.15883	1.8
255.13849	2.4
261.12601	1.6
263.14325	15.1
265.12195	6.4
267.13757	2.2
273.12607	2.3
279.13803	4.2
281.15347	9.4
283.13373	1.8
291.13837	9.9
295.41812	1.1
309.14828	17.0
327.15921	12.1
351.16052	1.4
369.17056	7.1
387.18158	1.7
431.18585	1.7
432.29987	1.0
473.19440	4.5
474.76227	1.4
491.20581	4.2
551.22711	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	551.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
56.23156	1.3
63.72293	1.3
77.03904	1.8
79.05479	2.5
91.05482	7.5
92.17845	2.2
93.07015	8.2
95.04963	20.2
95.08581	2.9
105.03386	100.0
105.04475	3.3
105.07040	13.0
107.04912	2.1
107.08570	3.0
109.06544	3.8
119.08579	2.8
121.06494	14.3
121.10132	6.2
123.04457	2.2
128.06192	3.0
129.06996	2.6
131.08557	14.0
133.06471	5.6
133.10138	14.3
135.08043	6.1
143.08572	8.0
145.10034	2.2
147.08075	2.4
149.05980	10.2
149.09579	3.0
155.08533	6.1
157.10141	3.7
159.08052	16.6
161.09572	11.1
163.07539	2.2
165.05556	2.2
165.06898	2.1
169.10062	5.3
171.11723	1.5
178.07715	1.9
179.08551	3.6
180.09308	2.0
181.10095	8.5
183.11670	1.9
185.09596	2.6
191.08508	1.8
192.09311	2.4
193.10121	13.8
194.10921	3.7
195.07999	2.4
195.11652	7.0
196.08832	1.6
197.09576	8.6
197.13297	2.1
199.07248	1.6
199.11118	1.8
201.09152	2.0
205.10132	5.8
206.10938	8.5
207.11665	7.4
209.09612	5.2
209.13295	6.2
211.11227	6.4
215.08556	2.0
218.10869	2.9
219.11758	6.7
220.12450	12.4
221.09605	2.6
221.13298	6.9
222.10344	3.5
223.11142	11.6
224.16254	1.6
225.09055	6.1
230.10905	7.4
231.11670	1.9
233.09689	7.1
234.10284	2.2
235.11211	3.7
235.14755	7.2
236.11824	2.0
237.12747	8.2
239.10481	2.5
239.14296	2.5
240.78745	1.7
245.13226	6.4
247.11198	3.7
248.11855	10.6
249.09013	1.8
249.12827	3.3
252.11401	1.7
253.15900	5.7
255.13779	1.7
258.10242	2.0
263.14246	14.8
265.12198	6.1
267.09946	1.9
267.13861	3.0
273.12637	3.4
279.13718	2.6
281.15259	13.1
291.13824	11.9
309.14737	22.1
327.16006	15.5
351.15796	1.7
369.17078	8.3
387.17715	2.2
387.26587	1.7
431.18567	2.3
473.19543	5.6
530.44135	1.9
551.23138	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	551.2278
Annotation	Mortonol B
Peak:m/z	Relative Intensity
53.03944	1.4
54.34417	1.3
54.47248	1.4
79.05508	1.9
91.05482	2.9
91.77795	1.9
93.07063	1.7
95.04954	10.3
101.18019	1.5
105.03394	100.0
105.07044	17.6
107.08600	30.3
119.08557	3.4
121.06481	9.7
121.10156	2.6
123.04374	2.3
123.08186	1.8
124.94853	1.6
131.08563	9.1
133.06482	10.1
133.10095	3.0
135.08067	18.1
143.08513	2.1
147.08046	7.2
149.05963	3.4
149.09599	35.8
151.07613	2.1
159.08022	13.1
161.09579	1.6
169.10046	1.9
175.07587	1.7
177.09085	27.2
183.11800	1.8
187.10991	1.6
191.07121	1.8
195.11703	2.3
195.93156	1.4
206.10844	2.1
211.11130	3.1
211.14731	2.5
221.13330	1.6
223.11252	1.8
233.09633	2.0
237.12746	1.8
239.14261	3.1
240.18324	1.7
263.14343	3.1
267.13773	3.8
281.15424	2.0
291.13748	2.9
309.14764	6.7
327.15768	2.2
369.17206	1.8
387.18390	1.9
449.19504	8.9
491.20712	17.7
501.06757	1.6
509.21463	6.7
522.53949	1.6
551.22693	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47731	2.0
53.03941	3.7
54.29675	2.1
69.03397	3.0
70.63506	2.3
72.58376	2.4
79.05502	2.4
81.07079	3.3
91.05482	6.4
93.07027	5.6
95.04965	12.4
105.03389	100.0
105.07030	5.8
107.04951	3.5
107.08601	3.7
109.06526	3.2
119.08550	4.6
121.06499	6.2
121.10123	5.3
123.05633	2.6
131.08540	4.1
132.02603	2.9
133.10123	11.4
135.08051	4.7
143.08603	5.1
145.10184	3.2
147.04407	2.6
149.05933	3.7
149.09605	3.9
157.10146	3.3
159.08031	12.2
161.09619	9.5
167.08516	3.1
178.98613	2.7
179.08548	4.3
181.10109	4.3
193.10156	5.8
195.11754	3.6
197.09605	4.5
205.10098	4.5
207.11673	5.2
209.09599	5.3
209.13170	3.7
210.10785	2.9
211.11244	5.3
211.14748	2.6
219.11700	4.2
220.12546	4.3
221.09683	5.3
222.10432	3.0
223.11136	6.3
230.10986	5.3
233.09514	3.4
234.10466	3.7
235.14778	5.7
237.12643	6.4
239.10674	4.5
239.14337	3.8
245.13287	2.9
247.11256	3.8
248.11847	5.2
263.14322	15.4
279.13815	4.1
281.15320	5.9
291.13763	15.7
309.14761	21.5
327.15967	11.7
334.84555	2.6
369.16977	10.4
431.18329	4.4
473.19415	2.9
487.60150	2.8
551.22327	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	551.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
69.03440	1.7
77.03920	2.4
79.05476	5.8
79.42674	1.4
80.31570	1.3
81.03395	2.0
81.07047	2.4
83.64693	1.4
91.05491	8.1
92.17941	2.9
93.07038	10.2
95.04951	15.2
105.03394	100.0
105.07024	13.3
107.04936	1.9
107.08580	6.0
109.06506	6.6
117.06965	1.7
119.04900	1.5
119.08556	3.1
121.06483	9.2
121.10122	3.1
123.08067	1.5
128.06165	2.0
129.06982	2.0
131.08546	10.4
133.06493	3.3
133.10138	12.9
135.08072	6.8
137.05980	1.6
143.08554	6.5
145.06534	1.9
145.10097	2.4
147.08025	2.3
149.05992	6.5
149.09619	6.8
155.08487	2.1
157.10153	2.4
159.08026	16.5
160.08849	1.8
161.05962	1.7
161.09612	9.1
165.06944	2.8
167.08548	3.2
169.10150	5.7
171.08066	2.9
173.09644	2.7
175.07448	2.4
177.09033	1.6
178.07761	1.7
179.08574	5.7
181.10065	6.1
183.11650	1.6
185.09566	2.4
192.09366	2.9
193.10106	9.3
194.10980	2.5
195.11696	6.8
197.09584	8.0
197.13310	1.6
205.10133	6.2
206.10965	7.1
207.11720	7.5
209.09705	1.6
209.13268	6.0
211.11147	6.5
215.08638	2.5
215.10710	1.6
217.10175	2.4
219.11647	3.3
220.12491	9.1
221.09584	5.6
221.13289	7.3
222.10478	5.4
223.11180	8.9
225.09108	2.8
225.12860	4.7
230.10931	6.8
231.11728	2.3
233.09572	7.9
233.13229	3.3
235.11246	3.4
235.14810	8.9
237.12761	8.5
239.10686	2.7
239.14403	2.5
245.13260	6.5
247.11200	2.0
248.11992	8.7
249.12767	7.2
251.10606	2.2
251.14241	2.2
253.15863	2.3
261.80334	1.4
263.14322	14.3
265.12253	8.8
273.12796	3.0
279.13843	3.3
281.15305	14.2
291.13855	12.2
309.14905	24.3
327.15891	16.1
351.15640	2.2
369.17010	9.8
431.18356	3.3
473.19818	3.2
480.94754	1.7
491.20316	5.6
551.22601	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	551.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15768	1.8
79.05511	2.7
85.02904	2.6
89.78014	2.6
91.05472	5.0
93.07020	4.0
95.04958	5.6
95.08596	3.2
105.03394	100.0
105.04495	5.3
105.07014	15.6
107.04919	3.3
107.08576	2.8
109.06501	3.8
119.08580	3.0
121.06500	13.2
121.10148	3.9
129.06967	3.6
131.08563	5.4
133.06470	3.8
133.10126	9.1
143.08591	9.6
145.10130	2.6
149.05971	3.7
155.08566	2.5
159.08060	11.8
161.09619	5.4
169.10080	2.9
179.08513	4.5
181.10095	5.1
182.07083	2.4
183.08000	3.0
193.10161	12.6
194.10889	2.3
195.08105	3.6
195.11702	5.3
197.09608	3.1
197.13342	2.3
201.68628	2.2
205.10126	3.2
206.10919	3.1
207.11649	4.4
209.13307	2.8
211.11206	4.4
219.11670	3.3
220.12506	3.5
220.96919	2.2
221.09726	3.7
221.13310	5.2
222.10326	3.0
223.11160	8.8
225.09059	3.2
230.10986	3.4
233.09637	3.4
235.14825	8.2
236.11983	3.1
237.12790	5.0
239.14214	3.3
248.12074	4.3
249.12766	4.8
255.18376	2.3
263.14340	15.4
265.12262	4.9
267.13834	4.7
273.12512	2.7
279.13803	3.3
281.15350	4.1
291.13712	10.4
297.15353	2.4
309.14951	23.7
327.15796	19.4
343.78271	2.3
351.15799	3.5
369.17145	10.8
431.18579	2.9
473.19724	3.0
551.23651	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	551.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10128	4.1
58.00118	5.0
62.38476	5.7
69.03416	4.8
69.07047	5.8
79.05487	7.2
81.07041	5.5
91.05461	10.0
93.07040	24.6
95.04974	10.8
95.08607	5.1
101.68786	4.9
105.03397	55.6
105.07024	63.9
107.08578	10.3
109.06522	6.7
119.08574	23.0
121.06501	34.4
121.10136	9.5
123.08060	12.1
129.07043	6.7
131.08542	22.1
133.06534	40.5
133.10095	35.8
135.08041	24.8
137.09515	6.3
143.08549	23.5
145.06509	20.3
145.10121	20.9
147.08055	20.6
147.11615	6.5
149.05968	27.6
149.09550	6.6
155.08514	34.5
157.10141	10.8
159.08041	23.4
159.11549	5.0
161.09627	44.0
165.06972	11.8
167.08568	9.1
169.10088	51.2
171.08084	7.0
171.11650	6.5
173.09595	12.2
177.09052	6.7
179.08508	11.7
180.09406	9.0
181.10094	30.4
182.07254	6.1
183.08099	7.8
183.11641	35.2
185.09630	7.8
187.11191	9.0
192.09343	10.1
193.10106	32.9
194.10918	9.0
195.07982	8.2
195.11681	43.4
197.09648	23.9
197.13281	26.5
199.11102	47.9
207.11673	48.0
208.12567	5.7
209.09633	28.7
209.13214	21.8
210.10437	7.0
211.11171	64.4
211.14754	8.9
213.12727	11.8
217.10193	10.3
218.10863	7.6
221.13258	10.4
222.10310	6.1
222.13992	10.3
223.11203	33.3
225.12726	52.7
227.10721	40.4
232.12482	24.9
235.11205	21.8
235.14838	20.2
236.11899	5.8
237.09001	5.9
237.12804	10.7
237.16429	11.0
239.10750	6.1
247.14798	23.2
249.12671	7.6
250.09882	6.1
251.10690	9.4
251.14307	11.9
253.12189	39.9
260.11948	8.1
265.15829	49.7
268.88663	5.8
271.13327	6.9
275.14322	23.2
278.13165	5.9
281.15323	7.6
283.16986	12.0
293.15332	94.2
309.15030	6.8
311.16443	100.0
313.14380	46.2
327.15814	6.6
353.17636	37.6
371.18481	49.3
373.16556	8.0
431.20557	10.8
557.48859	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	551.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40711	8.1
53.91137	7.0
57.07084	9.9
61.64771	7.9
69.03417	13.7
77.16686	9.4
81.69926	8.8
83.04933	9.4
83.96252	8.2
91.05479	20.9
93.07062	19.9
95.04934	13.5
103.87872	8.0
105.07039	79.7
107.04971	16.5
107.08584	42.0
119.08577	36.9
121.06522	34.2
121.10139	11.5
123.08057	9.6
129.07014	8.6
131.08583	50.5
133.06491	85.5
133.10135	42.9
135.08064	13.8
137.09662	9.1
143.08517	33.8
145.06471	15.8
145.10130	34.8
147.08083	40.4
149.05963	51.8
149.09666	8.0
153.06993	9.7
155.08562	46.2
157.10115	42.5
159.08076	19.2
161.09633	47.2
165.09096	12.5
167.08565	15.9
169.10095	44.5
171.08064	14.4
171.11661	17.0
173.09627	15.3
179.08698	9.8
181.10117	33.4
183.11664	41.7
185.09689	18.8
187.11230	12.2
189.08876	9.7
192.09334	15.5
193.10080	33.9
195.08199	9.3
195.11731	49.9
197.09650	16.3
197.13377	15.4
199.11205	41.9
207.11662	65.5
209.09570	18.5
209.13249	32.9
210.10159	10.5
211.11200	37.3
211.14772	10.9
213.09019	9.4
213.12868	10.7
215.10745	12.5
217.10080	12.3
221.13206	11.8
223.11203	39.6
223.14746	17.8
225.12756	54.2
227.10727	13.2
232.12495	16.8
235.11133	45.5
235.26843	9.1
237.12660	14.0
237.16414	18.6
247.14822	36.8
250.13528	15.9
251.14272	9.4
253.12253	55.4
260.12103	9.4
265.15790	41.3
267.17709	10.1
275.14288	18.0
278.13138	12.1
283.17010	18.6
293.15326	100.0
311.16425	97.0
313.14529	12.0
329.17502	33.2
353.17493	33.8
371.18527	70.0
431.20529	52.2
520.70941	9.4
551.25012	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	551.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31715	7.4
59.38336	7.6
79.05531	24.3
81.07045	11.5
83.04965	10.6
91.05463	36.0
93.07030	52.9
95.04974	16.5
95.08591	14.9
105.07012	76.1
107.04951	33.2
107.08588	34.8
109.06510	34.9
117.06988	14.8
119.04871	10.3
119.08571	53.1
121.06473	100.0
121.10110	37.7
123.08057	37.5
125.05946	8.4
131.08566	37.6
133.06467	71.0
133.10121	43.6
135.08066	38.7
135.11685	10.1
137.05952	12.2
137.09607	77.2
143.08543	20.1
145.06450	38.3
145.10130	36.8
147.08057	41.8
149.05956	45.4
149.09630	31.9
151.07530	36.2
154.95273	9.2
155.08516	14.7
157.10170	20.8
159.07993	40.1
161.09587	51.7
163.11227	17.3
167.08485	8.9
169.10114	12.7
171.08015	15.3
171.11743	13.9
173.09657	11.5
175.07590	18.6
179.08542	8.2
179.10657	33.5
181.10042	20.0
182.10916	11.9
183.11682	17.8
185.09657	13.1
187.11136	9.5
192.09332	9.5
193.10121	12.4
195.11710	51.7
197.09499	13.1
205.10150	12.6
207.11691	21.3
209.09648	9.9
209.13310	10.4
211.11177	18.7
212.12004	8.5
213.12697	15.5
217.10120	9.8
221.13179	11.9
223.11185	33.5
223.14722	11.3
225.12807	35.5
232.12421	31.7
233.74290	8.8
235.11101	13.1
235.56659	8.1
247.14778	9.1
249.12796	10.5
253.12265	13.5
265.15863	50.6
281.15347	11.7
283.16949	14.0
293.15271	68.2
311.16403	94.0
329.17432	37.8
353.17493	12.0
371.18500	57.8
389.19821	12.6
431.20447	19.6
524.43835	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	551.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28819	8.5
61.52898	8.4
63.76400	9.1
79.05505	11.6
86.72533	8.9
91.05495	12.1
93.07069	32.4
98.71737	9.9
105.07032	70.5
119.08553	22.2
121.06503	14.4
123.08020	19.8
131.08563	14.0
133.06493	70.8
133.10176	22.4
137.09639	13.2
143.08559	19.6
145.10199	14.7
149.05954	21.4
149.09583	11.5
151.07339	10.7
155.08528	21.8
156.09395	12.1
159.08054	21.5
161.09625	20.1
169.10083	48.9
171.08064	15.4
179.08617	14.4
181.10161	43.7
182.10912	10.2
183.11702	42.7
185.09637	11.2
187.11145	12.1
193.10155	13.1
195.11702	42.9
197.13246	23.5
199.11156	14.1
207.11647	47.9
208.12454	19.5
209.09764	13.1
209.13289	22.1
210.10269	18.6
211.11119	21.2
213.09181	13.7
223.11243	40.7
223.14825	17.0
225.12793	50.5
227.10561	15.1
232.12611	22.3
233.13307	10.8
235.11099	11.3
236.11887	12.6
237.16324	21.3
239.14157	13.8
241.12196	19.9
247.14830	35.8
253.12257	50.5
265.15836	52.9
275.14374	18.4
283.16785	16.8
293.15363	96.5
311.16376	100.0
313.14163	13.4
329.17545	38.2
337.40292	10.8
353.17532	20.1
371.18484	72.1
377.64301	9.6
431.20618	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	551.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01086	4.0
54.47279	3.5
60.81045	4.3
67.96220	4.0
79.05519	6.2
81.07071	7.1
86.72701	4.0
91.05457	10.5
91.78472	4.2
93.07034	31.4
95.04975	17.1
95.08590	7.6
105.07019	47.0
107.08599	5.7
109.06480	17.7
119.08579	26.1
121.06474	21.0
123.04412	4.9
123.08038	8.1
129.07025	30.3
131.04907	4.4
131.08508	19.0
133.06482	39.4
135.08009	8.7
137.06013	6.4
143.08557	54.3
145.10098	62.5
148.98790	4.6
149.05971	29.1
151.03845	5.9
151.07498	8.5
155.08583	5.4
157.06375	6.1
157.10162	30.7
159.08047	8.8
161.09628	31.0
169.10114	20.9
171.08055	5.0
171.11700	36.1
173.09602	10.6
175.07469	4.8
181.10056	5.6
183.11621	9.1
192.07341	5.2
192.09213	4.6
193.10095	8.7
194.01945	4.7
195.11714	23.8
197.13235	9.9
199.11227	6.6
206.10931	24.9
207.11710	24.4
208.12416	6.1
209.13275	17.0
213.12787	5.4
217.10098	25.6
218.10855	5.2
219.11688	5.3
220.12448	10.0
221.13275	20.7
221.90010	4.4
223.11253	5.0
223.14841	5.9
225.12628	7.3
230.10950	5.6
232.12424	93.2
233.09598	4.9
233.13113	6.3
235.14731	33.7
237.12778	5.1
237.16389	8.1
245.09747	5.9
245.13225	34.4
247.11116	5.2
247.14783	100.0
251.14374	7.6
251.17996	4.4
257.13254	22.7
260.11929	39.3
263.14215	40.5
265.15887	59.1
269.15063	4.6
275.14258	77.9
289.70392	5.0
293.15332	87.8
311.16275	37.7
335.16562	5.3
353.17447	7.0
365.51117	4.9
371.18591	5.8
395.18570	27.4
413.19583	5.9
431.20428	9.5
551.25061	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	551.249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24982	3.6
63.01488	3.1
67.05507	7.2
67.61858	3.3
69.07043	4.1
70.72023	3.4
74.69408	3.0
79.05464	6.2
81.07051	5.9
90.19971	3.3
91.05469	14.7
93.07039	20.5
95.04961	19.7
95.08598	5.6
97.60892	3.7
105.07040	52.5
107.08575	8.9
115.05418	4.7
117.07051	5.2
119.04869	4.7
119.08573	20.6
121.06467	20.9
123.08016	8.9
129.06993	3.8
131.08554	24.6
133.06493	58.0
133.10100	8.2
135.08040	18.4
137.05975	100.0
141.07024	4.6
143.08578	19.8
145.06467	15.9
145.10112	22.4
147.08043	21.2
149.05962	9.7
149.09610	4.4
151.07520	6.0
151.71013	4.0
153.07021	5.1
154.07687	4.7
155.08569	35.6
157.10144	18.3
159.08064	20.6
161.05991	6.4
161.09602	35.3
163.07513	4.7
163.11119	6.0
165.06931	5.8
167.08572	9.6
169.10097	38.6
171.08044	8.2
171.11674	22.6
173.09622	18.2
175.07684	6.6
177.09033	8.3
179.08575	19.7
179.10294	3.9
180.09268	7.0
181.10092	39.5
182.07196	6.1
182.10901	9.1
183.08092	5.1
183.11667	40.2
185.09688	9.5
189.12700	5.4
192.09312	27.9
193.10112	17.8
194.10887	6.0
195.08070	7.1
195.11659	42.2
197.09615	28.5
197.13229	44.3
199.11179	29.3
207.11684	48.9
208.08871	4.3
208.12456	4.7
209.09537	20.9
209.13304	20.3
210.10367	18.6
211.11189	42.0
213.12773	17.9
215.10789	6.6
217.10155	13.6
218.10844	6.0
220.08943	5.5
221.13377	15.7
222.14024	6.6
223.11201	48.9
223.14798	16.0
225.12746	61.3
227.10690	16.7
232.12497	17.8
233.09604	4.9
233.13329	8.0
234.10304	4.2
235.11203	38.7
236.11990	4.6
237.09050	8.2
237.12788	6.1
237.16402	18.6
238.09828	7.6
239.10696	4.2
241.12175	17.9
243.56679	5.0
247.14810	26.9
250.13405	5.0
251.10635	18.3
251.14326	21.0
253.12225	67.5
260.12070	5.0
265.15875	44.1
269.11700	7.4
271.13287	14.7
275.14307	22.0
283.14050	4.2
283.16898	22.8
293.15317	75.3
306.05914	4.4
311.16422	95.4
313.14328	39.5
329.17694	3.8
353.17502	44.1
371.18594	47.9
373.16437	65.4
389.18781	4.9
413.19299	6.4
431.20560	22.6
551.24811	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	551.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56415	7.3
62.08891	6.8
62.90035	7.2
65.88553	7.8
69.03407	15.2
69.07070	8.1
69.21475	8.0
69.97824	7.2
79.05476	13.5
81.03410	17.9
83.08670	9.0
85.02895	21.4
91.05484	35.7
93.07037	21.2
95.08618	12.8
97.06551	13.2
102.50275	8.5
105.01922	9.6
105.07043	49.6
105.45145	8.9
107.04933	14.3
107.08592	21.3
109.02817	13.5
117.06972	11.4
119.08585	34.1
121.06497	37.5
121.10149	11.7
123.08066	8.1
127.03941	15.9
131.08557	41.1
133.06447	18.7
133.10056	11.5
135.11632	8.8
137.09593	16.1
143.08557	34.2
145.06512	9.6
145.10118	41.5
147.07979	15.6
149.06009	14.5
149.09647	9.0
151.07532	10.3
155.08554	35.9
157.10118	42.5
157.37743	10.3
159.08115	17.2
159.11624	17.7
161.09546	16.2
161.13185	10.3
163.11209	9.8
165.06773	9.1
167.08571	17.5
169.10132	33.7
171.07961	9.4
171.11673	19.8
173.13235	11.8
181.10094	43.0
183.11630	39.8
185.09592	10.6
185.13214	13.6
187.11188	11.1
189.12656	10.5
193.10146	12.7
195.11681	39.6
197.09641	17.5
197.13191	44.0
199.11256	19.8
201.12814	8.7
207.11726	17.7
209.09628	14.9
209.13168	10.5
211.11324	13.3
211.14766	8.5
213.12715	11.3
221.13109	11.0
223.11143	15.2
223.14755	17.5
225.12755	17.9
235.11360	9.9
236.11929	8.9
237.12668	11.5
237.16418	12.5
239.14340	12.7
241.12357	12.9
241.15948	14.4
251.14339	13.7
253.12100	16.6
258.24139	8.8
265.15894	34.8
267.13580	11.8
269.11594	9.9
275.14365	10.8
283.17004	14.1
285.22043	13.5
287.16257	74.1
293.15326	57.5
311.16293	100.0
329.17572	51.4
353.17328	15.5
371.18442	42.8
389.19525	54.0
390.25662	9.3
431.20767	14.7
445.71469	9.1
534.24927	12.5
551.24805	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	551.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.0
57.16550	6.3
62.05020	5.6
67.05511	9.5
69.07065	10.7
70.78051	6.0
79.05501	9.6
81.07043	25.4
81.81647	5.9
88.35014	6.3
91.05484	12.3
93.07033	28.0
95.04951	14.0
95.08575	8.7
101.79219	6.1
105.07027	55.0
107.08588	25.7
109.06510	13.2
117.06998	7.2
119.08592	37.1
121.06519	10.6
121.10105	10.0
123.04404	12.0
123.08062	24.6
129.06970	10.6
131.08571	14.9
133.06534	13.9
133.10114	14.9
135.08025	13.9
137.05966	9.6
137.09544	7.9
143.08566	38.7
145.06528	28.6
145.10107	29.9
147.08028	14.9
149.05977	31.0
149.09604	26.3
153.16449	6.2
155.08536	28.8
157.10144	27.0
159.08029	32.8
159.11694	7.7
161.09610	36.6
169.10114	39.3
171.08012	11.3
171.11699	15.3
173.09636	11.9
174.10013	7.4
179.08580	8.9
180.09236	7.5
181.10130	45.8
182.10742	11.3
183.11714	35.4
185.09558	12.3
185.13284	24.6
187.07483	8.5
189.12726	9.9
192.09341	14.6
193.10115	27.2
194.10724	12.3
195.07976	8.0
195.11603	47.1
196.12022	9.6
197.09521	28.0
197.13246	28.4
198.10141	8.0
199.11185	68.2
206.10944	12.5
207.11760	44.4
208.08832	6.9
208.12282	28.5
209.09590	32.8
209.13188	14.7
210.10251	8.6
211.11168	63.2
211.14870	8.0
212.11646	7.3
213.12787	27.0
217.10017	11.0
219.11749	7.3
221.13266	7.2
223.11234	43.7
223.14743	15.4
224.11787	10.1
225.12668	63.9
227.10709	50.5
232.12531	7.2
235.11143	23.3
236.12053	8.7
237.12703	10.3
237.16362	11.6
238.13237	8.2
239.14165	15.0
241.12141	11.2
247.14836	11.9
249.12680	9.5
250.13498	13.0
251.10660	13.4
251.14236	9.3
253.12189	53.8
253.15895	6.9
263.14087	7.9
265.15887	39.6
267.13861	7.5
269.11789	8.2
271.13379	26.5
275.14343	9.3
281.15335	8.4
283.17035	26.7
284.17276	7.8
293.15353	80.2
295.94305	7.3
311.16278	100.0
312.16843	23.2
313.14240	43.4
329.17438	23.9
353.17581	28.8
371.18555	42.5
373.16559	6.6
389.19733	11.9
431.20697	13.5
439.02502	6.6
473.32465	9.0
491.24414	28.3
546.42975	7.7
551.26251	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	551.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24406	4.2
51.29785	3.7
52.44117	4.4
53.21020	4.0
54.65054	3.8
66.54667	5.0
67.05489	8.6
70.26764	4.9
77.52438	4.1
78.33453	4.1
79.05486	24.2
81.07059	9.7
84.09158	4.6
91.05465	10.4
93.07023	25.4
95.08606	54.9
105.07020	38.5
107.04958	75.1
107.08582	23.5
109.10163	35.2
117.07000	7.8
119.08584	47.4
121.10124	29.6
131.08562	23.8
133.10083	40.3
135.11800	4.9
137.06793	4.8
143.08606	21.1
145.10136	36.3
155.08455	16.0
157.10147	32.2
159.11696	27.4
167.08562	6.5
169.10109	20.5
171.11682	27.7
173.13252	9.4
179.08498	6.8
181.10109	22.7
182.10942	7.5
183.11652	11.5
185.13266	11.5
195.11707	29.2
197.13289	25.0
207.11740	5.8
209.13237	48.3
213.12889	5.8
215.57364	5.6
223.14799	11.9
236.97784	5.0
237.16434	5.7
241.15895	6.7
250.17316	7.0
255.21140	6.3
265.19504	100.0
283.20547	32.0
301.21658	4.6
306.13409	5.5
308.86194	6.1
418.22867	5.2
463.48959	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	551.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47920	1.5
53.59442	1.4
55.05521	14.2
55.30493	1.4
57.07085	3.8
62.81342	1.7
67.05492	10.7
69.03422	2.5
69.07081	21.0
71.08614	3.2
79.05472	2.0
81.07051	10.7
83.08613	9.6
91.05470	2.3
93.07053	18.5
95.04976	26.6
95.08613	18.8
97.06518	8.0
97.10173	24.3
105.07035	8.4
107.08601	30.8
109.06529	8.2
109.10149	42.3
111.08071	8.7
119.08562	11.9
121.06500	8.5
121.10125	16.6
123.08071	9.1
123.11671	4.3
125.09616	11.1
127.11172	8.6
131.08582	8.1
133.10118	10.0
135.08151	3.2
135.11693	24.8
137.05956	3.8
137.13249	4.4
138.42444	1.7
143.08536	4.3
145.10130	21.1
147.08022	3.7
147.11700	6.6
149.09618	3.2
149.13274	4.3
153.12773	13.8
155.08539	1.9
157.10143	4.2
159.08107	2.1
159.11649	14.6
161.09610	11.0
161.13338	2.5
161.99716	2.3
163.11177	3.3
163.14786	3.8
169.10156	3.6
171.08087	3.6
171.11687	3.7
173.09705	16.8
173.13245	12.5
175.11169	4.2
175.14835	8.5
177.16452	2.0
183.31540	1.8
187.11176	11.2
187.14809	2.7
189.09045	6.8
191.10680	11.2
191.14270	4.2
193.15877	21.5
195.11549	2.0
197.13252	3.9
199.11221	3.0
201.12778	9.2
203.10693	2.1
205.12146	2.9
205.15921	2.6
207.11815	1.8
209.13391	2.3
213.14705	2.4
215.14336	9.7
217.12231	1.9
219.13824	9.0
223.11128	2.4
223.14810	3.8
225.12794	2.8
227.14279	2.8
228.09436	2.3
231.13797	3.1
233.15404	3.6
235.14902	2.6
237.16415	2.7
239.14352	2.3
243.13762	3.8
265.15897	4.4
271.17029	1.9
281.19006	1.9
283.16830	3.0
284.67834	1.8
285.18381	3.2
293.19128	2.2
299.16516	2.5
301.18103	8.1
303.19540	14.9
311.19946	7.0
329.21075	13.3
339.19476	2.0
347.22107	3.3
353.20935	6.7
357.16727	2.7
357.20526	17.6
371.22153	9.9
375.21481	4.2
419.29208	3.5
437.30316	21.6
455.31488	62.8
473.32596	100.0
497.32565	3.4
515.33777	14.0
533.34711	46.2
551.35815	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	552.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69952	0.6
56.31843	0.6
64.75768	0.8
66.03299	0.8
79.05483	5.9
83.42015	0.7
95.29432	0.9
105.06999	1.5
107.04953	100.0
119.08551	1.8
120.08085	8.6
120.11302	0.8
131.08620	0.8
143.08551	1.0
147.60397	0.8
149.05971	23.8
157.10153	0.9
163.07436	1.1
180.10185	74.7
194.11758	1.1
197.13278	1.3
211.14853	1.4
218.42799	0.9
225.16351	1.6
262.42892	0.9
492.27356	5.6
552.29510	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94165	0.6
66.79250	0.6
79.05501	7.9
81.07064	1.1
91.05466	3.1
92.18447	1.2
93.07071	0.9
103.54013	0.5
105.07021	3.3
107.04958	100.0
107.08607	1.2
112.42343	0.6
117.06959	0.7
118.45355	0.6
119.08572	3.9
120.08044	2.9
129.07043	0.9
131.08562	1.1
134.09671	3.4
141.06938	1.0
143.08569	3.8
149.05980	23.1
151.60533	0.6
155.08508	5.1
157.10191	1.4
159.87230	0.6
167.08525	0.8
169.10120	12.4
180.10220	13.8
181.10173	1.0
183.11710	12.1
193.10158	0.7
194.11765	56.8
195.11739	0.8
196.12544	2.7
206.10893	1.0
209.13278	1.0
211.14807	18.8
221.13229	1.4
224.11690	0.6
239.14302	3.3
302.48352	0.8
340.81668	0.6
406.16882	0.6
509.05054	0.8
528.63129	0.7
552.29547	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63721	3.5
60.07460	4.1
60.09074	4.1
64.86778	4.0
65.20008	3.8
67.88668	3.6
69.03429	5.1
69.07047	5.4
80.55424	4.2
81.07031	4.3
83.04996	5.0
91.05445	4.2
91.27264	3.9
95.43435	4.0
95.48614	4.5
99.80428	4.0
104.88771	5.0
105.03397	68.9
105.07021	8.8
106.03728	19.5
107.08581	8.5
109.06475	4.9
117.88954	4.1
119.04911	4.3
119.08611	6.4
123.08080	4.7
131.08603	6.2
133.06523	4.6
133.10123	4.8
135.08060	21.6
137.09621	100.0
143.08533	9.7
149.09624	16.6
155.08502	6.2
159.08110	6.2
160.08577	4.9
161.09593	23.3
169.10123	7.1
170.10820	3.7
171.11661	8.3
175.11156	4.4
179.10658	5.1
183.11650	7.1
187.11148	7.2
193.10117	24.4
195.11629	7.5
197.09595	5.2
199.11258	9.4
209.13298	6.4
211.11143	34.8
213.12880	5.6
220.12506	8.3
221.13359	4.5
222.61066	4.0
223.14893	4.1
225.12663	4.8
225.16434	22.8
235.14793	19.0
237.12698	8.6
238.13380	4.5
247.11006	4.1
250.13216	5.2
253.15898	85.3
254.16219	5.8
255.17461	4.8
261.63416	4.5
262.94501	4.2
264.14786	4.9
269.15222	5.9
271.16946	25.2
279.17310	18.6
282.15701	4.7
297.18469	49.2
309.14706	5.4
310.15234	9.3
315.19516	79.8
474.20108	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	552.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	27.2
79.05512	4.4
82.47789	2.0
83.04994	100.0
91.05429	3.2
93.07064	9.9
95.08591	4.0
105.07030	10.5
107.04940	9.7
107.08597	11.0
109.06551	3.2
109.10162	2.4
119.04964	4.1
119.08579	28.9
119.78660	2.3
121.10126	19.5
123.08046	3.9
127.70893	2.2
131.08502	4.0
132.99258	2.0
133.06531	4.4
133.10127	8.8
135.08054	75.6
137.09612	14.6
143.06998	8.0
143.08595	3.5
145.10138	10.1
147.08073	3.4
149.06003	2.6
149.09666	12.6
155.08565	3.0
157.10088	3.8
159.08034	3.7
159.11798	3.1
161.09688	24.4
163.11194	3.6
171.11671	2.7
177.09146	3.3
179.10687	11.0
181.09981	2.2
184.07320	2.9
185.09659	2.8
189.09183	3.5
194.11798	8.8
195.11720	3.4
211.11191	3.9
211.14862	4.0
229.15971	3.4
239.14394	5.0
245.18787	2.3
251.17912	2.9
253.15759	3.3
257.15356	14.9
269.19077	4.5
271.17166	2.3
275.16458	5.0
279.17566	9.0
297.18442	24.5
315.19537	50.6
333.20676	3.0
357.20731	9.7
397.23804	8.8
415.24866	5.0
433.25943	12.7
457.25717	13.2
458.11328	2.3
475.26926	32.8
521.67010	2.4
552.32849	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	552.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
55.32737	1.2
57.46999	1.2
58.72559	1.2
63.27573	1.2
67.05482	6.2
78.41751	1.3
79.05498	3.5
81.03420	3.2
81.07063	10.8
83.08648	1.9
91.05456	10.3
93.07044	25.2
95.04952	13.0
95.08601	14.4
105.07010	14.9
106.72607	1.6
107.08594	16.9
109.10151	13.0
111.08164	1.9
117.06998	8.0
117.91783	1.4
119.08575	43.9
121.06554	1.6
121.10141	11.1
130.07756	1.4
131.08609	10.0
133.10127	100.0
135.08073	12.2
135.11650	6.5
137.09608	3.3
143.08574	9.3
145.10118	56.4
145.10979	1.3
147.11707	12.5
149.09680	1.4
152.12920	1.4
157.10094	13.1
159.11774	10.6
161.09618	8.7
163.11197	16.2
167.08574	3.3
168.38768	1.6
169.10101	5.7
171.11662	13.1
173.13174	6.4
179.08751	1.7
181.10080	9.2
183.11671	5.9
185.13275	6.7
195.11736	11.7
197.13264	10.9
209.13232	24.5
223.14818	17.5
237.16434	2.1
237.71249	1.5
250.17288	2.3
265.19489	75.8
283.20554	14.8
325.21722	3.5
376.64450	1.7
385.23672	28.5
469.07333	1.4
545.30627	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	552.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10477	2.9
64.50781	2.5
79.05492	3.2
81.07047	11.2
83.04983	3.6
91.05497	4.5
93.07028	11.3
95.08598	10.9
105.07007	22.4
107.08565	10.7
109.10143	5.6
117.07030	5.2
119.08559	13.6
131.08562	11.4
133.10143	6.8
135.08057	5.9
137.09636	5.5
143.08553	11.2
145.10117	33.0
147.08131	2.9
147.11646	3.8
149.09628	21.5
155.08554	18.3
157.10136	17.4
159.11720	6.6
161.09668	5.5
163.68265	2.8
169.10129	16.5
171.11728	5.4
173.09662	2.6
181.10129	3.3
183.11693	18.2
185.13313	6.4
187.11209	11.3
193.10144	4.6
195.11737	5.1
197.13301	16.4
199.11174	6.3
207.11633	4.1
209.13319	3.3
210.24487	2.8
211.14862	16.8
221.13202	4.5
223.14807	5.0
225.12708	19.1
237.16151	3.2
239.14284	5.8
251.14285	13.0
253.19498	26.9
263.17944	14.8
266.16693	14.9
281.18997	100.0
299.20093	29.7
341.21057	14.4
379.75339	3.1
401.23181	4.4
552.31934	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	552.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94231	0.7
61.36405	0.7
66.04712	0.7
70.70892	0.7
77.36467	0.9
81.07057	1.7
95.08580	1.5
97.06528	3.5
105.06998	1.3
109.06522	1.0
109.10199	1.1
119.08572	1.8
121.06552	1.0
133.10139	4.3
134.87241	0.9
135.07990	1.3
140.30356	0.9
145.06477	100.0
145.10118	1.4
147.08002	6.3
147.11668	1.0
157.10179	1.4
159.11665	1.7
163.07520	20.2
165.09039	1.6
171.11658	1.7
173.09520	1.1
181.09998	0.8
183.11678	4.3
197.13269	3.4
199.11153	3.3
205.08585	15.5
207.11647	2.0
209.13168	0.9
211.11263	1.4
223.14810	1.5
225.12715	4.0
234.13873	1.2
239.14284	3.0
239.17892	6.7
249.16310	3.8
260.21310	0.9
267.17426	16.3
285.18481	9.5
293.13818	20.2
327.19501	20.1
345.20450	1.1
355.22745	3.3
374.01968	1.1
387.21573	6.1
415.24506	3.4
475.26871	4.4
552.31781	5.6
557.69702	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	552.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37653	2.0
64.68633	2.0
78.65273	2.0
79.32750	2.0
81.51067	1.9
82.62092	1.7
84.08080	1.9
91.05460	3.9
92.18488	1.9
119.08579	10.6
133.10120	2.4
145.06493	15.5
147.08017	20.1
155.08559	2.2
159.11653	4.5
165.09113	11.6
169.10086	2.9
171.11818	2.3
197.13181	3.1
205.08673	2.4
214.78726	2.1
239.18015	4.5
249.16415	2.2
267.17355	22.4
285.18518	3.6
292.66272	2.1
327.19550	8.1
387.21603	13.3
492.30286	2.6
552.31622	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	552.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46131	0.8
77.78395	0.7
79.05460	5.8
81.05893	0.8
91.05486	1.7
93.07053	1.6
94.65401	0.8
95.08594	1.2
97.13499	0.7
105.07020	1.8
107.04950	100.0
107.08579	1.2
108.55696	0.7
109.10188	0.8
119.08611	1.3
120.08049	0.8
121.10168	1.1
131.08539	1.5
133.10094	1.2
134.09668	10.0
143.08586	1.3
149.05968	25.7
149.07153	1.0
149.22964	1.0
155.21875	1.0
157.10104	1.2
166.41597	0.8
171.11613	1.1
183.11601	1.0
192.10187	1.1
194.11757	96.1
196.09669	1.2
197.13292	1.2
208.73500	0.8
219.80476	0.8
257.19040	1.1
281.18991	1.9
299.20166	3.5
328.35086	0.8
492.31113	13.1
552.33270	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63330	0.7
59.58131	0.7
60.57844	0.7
64.70284	0.8
68.66392	0.9
69.59298	0.8
79.05512	8.4
85.93580	0.8
91.05474	1.0
93.07048	1.0
94.35192	0.7
105.07072	1.0
107.04953	100.0
107.08604	3.4
107.64651	0.8
119.08545	1.9
133.06480	1.3
134.09631	5.6
135.08112	0.9
143.08549	1.5
145.10098	1.6
149.05968	24.5
161.09598	1.3
169.10194	0.8
173.13342	0.8
178.13480	1.0
189.12692	0.9
194.11760	89.7
251.10521	1.0
312.16708	1.5
406.23224	0.9
486.09692	0.9
552.33173	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14907	1.2
78.80288	0.9
79.05484	6.5
83.15200	1.1
91.05469	2.5
93.07030	1.4
95.08607	1.5
96.47900	1.0
105.07045	2.4
107.04951	100.0
107.08576	1.9
119.08556	4.3
120.08076	13.7
133.10127	2.5
143.08557	2.0
149.05975	23.1
157.10101	2.1
159.11644	1.7
169.10100	1.7
180.10187	78.5
182.10951	1.5
194.11748	4.7
197.13202	1.8
233.57014	1.2
239.17870	1.5
253.19615	1.3
281.18970	11.4
313.21725	2.5
341.20865	2.2
369.79852	1.2
492.30878	14.0
552.33221	13.3
578.00018	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	552.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40307	1.2
60.28530	1.1
62.04017	1.2
64.84829	1.4
69.65675	1.1
79.05478	6.7
81.07042	1.6
87.77039	1.2
93.07030	1.8
95.08602	2.0
96.92025	1.2
105.07040	2.2
107.04955	100.0
107.08588	2.0
119.08563	6.6
120.08107	14.5
121.38900	1.4
133.10149	6.1
149.05968	27.1
157.10109	2.6
159.11766	1.4
165.81468	1.3
180.10191	92.6
194.11810	2.0
197.13202	1.9
252.93985	1.4
253.19511	1.8
281.19064	10.4
460.28552	1.3
492.31088	19.3
552.33081	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	552.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82895	0.7
51.37384	0.8
52.12644	1.0
56.64561	0.9
59.81260	1.1
62.21642	0.9
69.81424	0.9
79.05485	4.9
92.18613	1.7
93.06994	1.4
95.08572	1.5
105.07048	2.1
107.04951	79.6
107.08572	1.7
119.08576	4.8
120.08099	13.0
133.10144	1.2
149.05981	18.0
157.10091	1.2
161.09630	1.3
169.69168	1.0
180.10178	100.0
183.11699	1.1
185.12979	1.0
197.13210	1.5
206.82368	1.0
221.13103	0.9
281.18921	13.5
311.69586	0.9
313.21661	1.8
336.29236	1.1
341.20926	3.8
460.28650	1.4
492.31122	27.7
520.96899	1.0
552.33215	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59702	1.1
78.36617	1.0
79.05496	5.0
92.18559	1.4
93.07043	1.8
95.08597	2.2
105.07045	2.4
107.04955	100.0
119.08560	7.7
120.08110	12.2
133.10126	3.8
145.10117	1.8
147.11575	1.1
149.05977	25.3
180.10184	73.6
183.11734	1.6
194.11734	1.4
197.13226	2.1
210.53735	1.1
211.14752	1.6
239.17979	2.3
253.19586	1.8
281.18936	12.3
313.21738	1.5
460.28275	2.3
492.31042	18.6
494.60916	1.1
552.33081	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	552.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08153	1.2
61.69350	1.3
67.23791	1.1
67.91745	1.2
79.05486	8.4
81.35877	1.6
89.39407	1.2
93.07015	1.4
95.08585	2.7
104.30532	1.3
105.01233	1.2
105.07038	4.7
107.04953	100.0
107.08638	1.4
119.08553	6.5
120.08096	17.0
121.10147	1.5
125.39163	1.3
133.10136	2.6
143.08519	1.4
149.05981	26.4
157.10176	1.3
159.11740	1.4
161.09636	1.4
166.64610	1.1
171.30316	1.3
180.10185	92.7
188.26462	1.4
194.11780	1.6
223.32280	1.5
239.17915	2.6
253.19621	1.7
281.19006	12.3
313.21432	2.5
334.90390	1.4
341.21002	1.8
382.66718	1.3
460.28329	2.4
492.31061	22.9
552.33362	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	552.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74981	1.4
57.07075	7.1
67.05496	6.4
69.07019	1.8
69.73336	1.7
79.05486	1.9
81.07050	6.3
83.08601	1.9
88.42397	1.8
93.07044	3.2
95.04948	2.6
95.08587	3.0
97.02872	2.0
97.06541	6.6
105.07043	7.5
107.04908	3.4
109.06524	48.0
109.10137	2.4
111.08032	2.5
119.08560	15.1
121.06498	3.1
121.10110	2.6
127.07536	2.1
129.07030	2.5
133.10133	27.0
135.08031	4.0
137.05988	30.8
137.09662	2.9
139.07549	8.3
145.06485	100.0
145.10162	8.4
147.08066	15.8
147.11726	3.9
155.08626	2.2
157.10091	8.6
159.11699	9.9
163.07533	20.0
165.09134	11.7
169.10144	4.4
171.11679	8.1
173.13263	11.6
183.10143	7.2
183.11699	11.8
185.09685	2.1
187.14903	3.0
195.11676	2.7
197.13277	7.8
199.14828	3.9
201.12836	16.5
205.08600	18.4
207.11674	3.0
209.13367	2.5
211.14731	1.9
225.12865	2.5
234.14070	2.4
239.17905	14.1
249.16415	3.8
257.19022	9.4
267.17410	20.9
285.18442	25.1
289.14423	2.8
307.15335	12.5
327.19470	16.1
345.20590	11.8
359.91980	1.8
387.21805	1.8
467.23065	1.9
507.29480	93.7
552.32172	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	553.1129
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
51.13376	0.3
57.69388	0.3
57.78149	0.4
62.06012	0.3
78.22173	0.4
85.62703	0.3
89.96199	0.3
97.04408	0.4
102.72153	0.4
121.02859	41.4
153.01846	2.5
283.06091	1.5
297.07581	2.6
309.49402	0.4
314.57117	0.4
321.07620	1.7
349.07159	0.6
359.09189	0.6
376.05789	1.5
401.10312	6.0
402.03537	1.5
403.04495	2.5
417.06058	4.5
418.06683	3.5
420.05237	0.4
435.07181	3.0
511.10321	1.6
521.08679	13.4
553.11267	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	553.113
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
92.18545	0.5
105.45042	0.3
107.04935	0.5
121.02870	3.9
125.48495	0.3
133.06493	1.6
134.57771	0.3
135.04411	7.0
147.18318	0.3
153.01796	2.7
156.38718	0.4
159.04459	0.7
159.68604	0.3
177.05492	0.7
180.10246	0.4
241.05042	0.5
251.03305	0.3
269.04443	1.5
275.42374	0.3
283.06033	2.5
284.06824	2.5
307.06049	1.6
311.05399	2.8
319.06076	0.4
335.05460	6.3
347.05466	2.3
358.03696	0.3
359.05383	1.4
359.09219	1.3
375.05048	1.2
376.05759	0.6
377.06534	13.6
377.11417	0.5
379.04617	0.5
401.10327	5.2
403.04453	20.4
403.24805	0.4
417.06088	0.5
418.06961	0.6
421.05533	3.5
467.11206	0.5
485.12531	0.5
496.07199	0.3
510.09793	0.4
511.10168	4.1
521.08722	3.9
538.09088	0.5
553.11298	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	553.1132
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
66.16479	0.3
76.37492	0.4
82.31119	0.3
90.64567	0.4
91.05463	0.4
91.07032	0.3
91.63840	0.3
105.03379	0.7
107.04954	0.7
119.04948	0.6
121.02844	1.6
153.01799	0.8
165.56181	0.4
181.78670	0.4
199.02533	0.5
204.13992	0.4
241.04958	0.5
254.05772	5.9
255.06549	5.2
257.04443	3.7
270.05283	1.4
271.06012	5.1
278.15970	0.4
282.05258	0.6
283.06091	2.6
284.06775	7.8
285.04007	1.8
286.04764	2.6
299.05518	4.2
347.47012	0.4
386.58408	0.4
401.10413	2.6
417.06094	0.7
419.20682	0.4
427.08707	0.4
469.22693	0.4
494.10110	0.5
511.10306	0.6
521.08704	4.9
537.08087	2.9
538.08728	4.0
553.11304	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	553.1131
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
52.20869	0.4
57.20178	0.4
85.55488	0.5
96.23682	0.5
100.92947	0.5
111.82200	0.5
121.02850	3.9
121.52477	0.4
163.03871	0.6
167.03358	6.4
274.50952	0.5
297.07709	2.2
321.07593	0.7
325.07047	2.8
325.78839	0.5
345.07700	1.1
349.07083	10.3
361.07062	2.4
373.06924	0.8
376.05432	0.6
387.08539	4.7
391.08078	18.8
393.05640	0.7
417.05997	21.7
432.08191	0.8
435.07245	1.1
509.12076	0.9
511.10336	3.6
553.11273	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	553.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
64.35815	1.2
77.03915	2.1
79.05461	1.6
81.03465	1.4
91.05453	1.4
93.07066	2.3
95.04967	10.1
105.03394	100.0
105.04523	6.3
105.07026	9.2
107.04959	3.2
115.50964	1.4
119.08604	1.8
121.06503	5.9
129.07030	1.7
133.06393	1.9
133.10098	1.9
141.07047	1.4
143.08524	5.6
145.10175	16.0
147.08034	11.7
149.05980	29.5
155.08505	5.3
157.10081	2.7
159.08043	1.9
161.09579	2.5
165.06976	2.3
169.10086	8.9
171.08040	2.4
171.11642	3.1
173.09593	3.2
179.08455	2.5
181.10100	7.8
183.11713	5.5
185.09625	2.1
187.11194	1.9
192.09529	1.6
193.10117	6.0
195.11699	12.2
197.09683	2.7
197.13235	2.5
199.11224	7.2
205.10065	1.7
207.11595	3.5
208.12590	2.3
209.09618	7.8
209.13164	2.6
211.11136	2.5
213.12784	2.1
221.13382	1.7
223.11156	2.0
225.12791	3.3
227.10667	2.5
235.11133	1.4
235.14838	1.6
237.12718	1.5
237.16321	2.9
239.14380	5.5
241.12154	2.3
247.14781	2.7
250.13480	1.8
251.14355	2.0
253.12166	2.5
265.15836	9.5
267.13739	2.4
275.14346	1.8
283.16986	5.9
293.15268	7.9
311.16397	14.2
329.17801	2.2
371.18527	8.4
416.72830	1.8
431.20584	2.9
491.53522	1.5
493.22314	5.9
509.21423	2.0
553.24084	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	553.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39263	0.5
51.02390	0.5
53.03943	3.1
53.25307	0.6
53.92864	0.5
63.83254	0.5
77.03941	2.4
79.05491	1.1
91.05453	0.7
92.70331	0.5
93.07011	1.1
95.04968	9.7
105.03397	100.0
105.04405	4.4
105.07015	4.2
107.04964	2.5
107.08585	1.1
119.08578	0.6
120.96754	0.6
121.06540	1.4
123.08031	0.7
133.06482	3.1
133.10107	0.9
143.08595	1.0
149.06027	0.7
149.09644	1.3
151.07503	0.9
153.94456	0.6
155.08540	0.9
157.10155	0.9
159.08081	1.0
159.11769	0.6
161.09616	1.1
169.10046	0.7
171.08028	0.6
171.11671	0.9
173.09625	0.7
177.09120	0.8
179.08548	0.9
181.10075	1.0
183.11592	0.6
185.13237	0.6
187.11049	0.7
194.11739	0.9
195.11839	2.5
199.11169	0.9
201.17906	0.6
207.11623	1.0
209.09413	0.7
211.11179	2.4
213.12885	0.9
223.11134	1.4
225.09004	0.8
225.12669	0.8
237.16307	0.8
241.12178	2.2
263.14230	0.6
265.15781	0.7
269.11749	0.9
269.15436	0.8
281.15298	1.4
283.16989	2.6
293.15363	3.2
311.16486	5.0
329.17569	3.3
352.31079	0.6
362.03946	0.7
371.18646	1.1
389.19626	2.2
451.21295	1.2
493.21777	0.8
553.22986	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	553.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88001	0.9
62.11066	1.0
62.14453	0.9
69.54053	0.9
75.52294	1.0
79.05515	1.6
79.53838	1.0
93.07038	1.5
95.04987	10.1
102.84930	1.2
105.03391	100.0
105.04485	3.3
105.07023	4.7
119.08559	1.3
121.06448	1.8
121.10143	1.6
133.06540	1.6
133.10159	1.3
143.08614	1.5
151.07520	1.9
155.08521	1.7
157.10127	2.2
159.07959	3.9
159.11671	1.2
161.09592	1.3
163.27020	1.3
165.06902	1.5
167.08543	1.7
169.10147	5.4
171.07999	1.1
171.11731	1.4
173.05888	1.2
180.09288	2.7
181.10129	7.2
185.09691	2.1
187.11147	1.3
192.09384	1.5
193.10109	2.7
195.08015	1.8
195.11691	12.6
197.09593	4.5
197.13249	1.7
199.11189	6.2
207.11713	5.8
209.09604	6.4
209.13298	2.2
211.11247	2.5
213.09258	1.4
213.12755	1.5
213.54750	1.3
220.08942	1.2
220.21637	1.2
220.96820	1.4
221.09665	2.2
221.13243	2.4
223.11186	10.0
223.14850	6.1
225.09082	1.3
225.12782	2.4
227.10558	1.8
232.12424	2.5
233.09560	6.8
233.13214	1.9
235.11188	6.1
236.12093	2.4
237.12923	1.6
237.16451	1.6
239.14124	1.8
241.12271	2.2
241.15930	1.2
247.14795	5.5
249.12752	1.3
250.13559	2.1
251.10606	2.5
251.14276	5.3
253.12296	2.4
260.11865	2.7
265.15829	11.1
275.14334	5.0
281.15616	1.3
283.16891	7.2
293.15250	12.6
311.16510	11.3
353.17621	1.3
371.18414	2.0
375.15921	1.6
433.20389	1.8
493.22308	1.3
553.24261	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	553.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
56.47947	1.4
58.77433	1.5
59.05009	2.0
67.05503	2.7
69.07049	1.6
81.07033	3.5
93.07034	2.5
95.04961	13.3
105.03393	100.0
105.04491	5.6
105.07018	8.5
107.04921	3.9
107.08562	2.5
108.91550	1.7
117.07010	2.1
119.08575	3.0
124.39949	1.8
131.08563	2.5
133.10136	2.2
135.08075	2.2
141.07001	2.8
141.73534	1.8
143.08510	12.5
155.08569	10.3
156.09259	2.9
157.10159	7.4
159.08058	6.9
165.06960	2.8
167.03354	2.6
167.08589	3.3
168.09407	1.8
169.10092	20.9
171.08058	11.5
171.11691	8.4
172.08971	2.3
173.05861	2.8
173.09608	2.5
179.08549	6.2
180.09329	3.9
181.10121	11.8
182.10918	4.1
183.08040	2.6
183.11711	20.2
185.09592	9.9
185.13181	2.3
187.11139	2.2
192.09508	2.2
193.10126	7.1
195.08028	2.2
195.11696	13.7
196.08928	2.5
196.70403	2.0
197.09662	10.8
197.13223	13.2
199.11169	18.2
207.11740	9.0
208.12485	2.8
209.09573	3.5
209.13281	3.0
210.10344	2.2
211.11171	18.9
213.12721	7.7
213.16263	2.1
221.13249	3.7
223.11125	8.7
225.09047	3.3
225.12666	16.1
227.10680	24.5
227.14275	2.3
232.12709	2.6
235.11189	2.8
237.16385	2.1
241.12167	4.2
247.14751	1.8
250.13576	2.1
251.14351	2.5
253.12242	10.0
253.15799	3.1
255.17519	2.6
265.15833	8.9
271.13199	3.2
283.16983	3.7
293.15405	9.5
311.16412	9.3
329.17493	2.6
332.97711	1.8
349.07138	1.7
353.17593	2.9
413.19522	2.7
417.06216	1.9
553.11163	42.4
553.24329	9.0
566.88593	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	553.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14826	1.6
88.07055	1.8
91.05442	3.2
93.07018	3.2
95.04967	13.8
97.06575	2.4
105.03396	100.0
105.04464	3.5
105.07023	9.1
107.05006	2.4
109.10168	4.1
119.08574	3.6
121.06506	2.3
121.10133	2.9
129.06990	2.3
131.08606	2.2
133.06480	3.3
133.10124	4.7
135.54419	2.3
137.09586	2.8
143.08591	4.2
145.06471	2.9
145.10120	4.4
147.07993	2.2
149.06012	8.1
155.08560	9.1
157.10173	3.4
159.07971	3.2
161.05934	2.4
161.09639	8.5
165.06903	2.5
167.08546	3.5
169.10123	13.4
171.08096	5.0
171.11673	3.8
173.09705	3.0
181.10095	8.9
182.10905	3.1
183.08208	2.5
183.11627	15.8
185.09737	3.0
187.11157	2.1
192.09335	2.4
193.10139	9.3
195.06511	2.8
195.11731	9.5
197.09653	13.1
197.13280	3.8
199.11217	13.1
207.11751	7.6
209.13248	2.9
211.11177	12.5
215.10709	3.0
223.11198	4.9
223.14836	3.4
225.12816	12.9
227.10674	15.6
237.12810	5.1
237.16341	3.9
239.10625	2.2
241.12021	3.2
251.14314	2.8
253.12157	11.2
263.14413	2.9
265.15826	8.0
270.63922	2.6
281.15369	2.5
283.16870	2.7
293.15387	13.4
301.56525	2.1
311.16406	21.2
329.17429	3.1
353.17441	4.0
371.18503	12.7
413.19482	4.2
431.20862	4.2
553.24487	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	553.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14826	1.6
88.07055	1.8
91.05442	3.2
93.07018	3.2
95.04967	13.8
97.06575	2.4
105.03396	100.0
105.04464	3.5
105.07023	9.1
107.05006	2.4
109.10168	4.1
119.08574	3.6
121.06506	2.3
121.10133	2.9
129.06990	2.3
131.08606	2.2
133.06480	3.3
133.10124	4.7
135.54419	2.3
137.09586	2.8
143.08591	4.2
145.06471	2.9
145.10120	4.4
147.07993	2.2
149.06012	8.1
155.08560	9.1
157.10173	3.4
159.07971	3.2
161.05934	2.4
161.09639	8.5
165.06903	2.5
167.08546	3.5
169.10123	13.4
171.08096	5.0
171.11673	3.8
173.09705	3.0
181.10095	8.9
182.10905	3.1
183.08208	2.5
183.11627	15.8
185.09737	3.0
187.11157	2.1
192.09335	2.4
193.10139	9.3
195.06511	2.8
195.11731	9.5
197.09653	13.1
197.13280	3.8
199.11217	13.1
207.11751	7.6
209.13248	2.9
211.11177	12.5
215.10709	3.0
223.11198	4.9
223.14836	3.4
225.12816	12.9
227.10674	15.6
237.12810	5.1
237.16341	3.9
239.10625	2.2
241.12021	3.2
251.14314	2.8
253.12157	11.2
263.14413	2.9
265.15826	8.0
270.63922	2.6
281.15369	2.5
283.16870	2.7
293.15387	13.4
301.56525	2.1
311.16406	21.2
329.17429	3.1
353.17441	4.0
371.18503	12.7
413.19482	4.2
431.20862	4.2
553.24487	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	553.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60386	6.7
67.78338	7.0
69.03424	8.8
72.21947	7.1
79.05522	10.2
81.07032	11.6
91.05482	20.7
93.07030	32.3
95.04940	42.8
95.08624	16.7
97.06492	8.1
105.03402	86.3
105.07033	54.9
107.04952	50.0
107.08578	32.8
116.51457	8.9
117.06968	10.2
119.08575	35.0
121.06493	36.9
121.10141	47.8
123.08044	30.8
129.07034	9.4
131.08565	20.5
133.06488	12.7
133.10104	46.1
135.08047	15.8
137.09651	13.6
143.08536	50.6
145.06422	11.9
145.10133	43.4
147.08044	35.0
149.05974	16.9
149.09631	33.6
155.08498	10.4
157.10182	29.8
159.08031	12.9
159.11649	32.7
161.09576	15.9
163.11191	32.5
166.07742	11.5
167.08514	11.3
171.11679	17.1
173.09619	16.3
175.11259	12.1
179.08488	12.2
181.10159	18.7
183.11739	41.4
185.13380	10.5
187.11078	10.6
192.09471	9.1
193.10088	20.6
194.10687	10.4
195.11771	19.5
197.09709	10.2
197.13254	38.1
199.11089	16.5
207.11668	45.7
208.12337	10.6
209.09726	10.5
209.13185	18.4
211.11201	13.7
220.12596	9.7
223.11067	11.8
225.12672	10.5
225.16441	9.7
233.13269	10.4
234.14017	12.5
249.16518	19.0
253.15768	8.5
267.17404	36.9
277.15927	16.4
285.18518	9.5
293.15347	9.3
295.16953	34.7
311.16397	14.0
313.17972	71.9
331.18890	10.7
373.20172	100.0
385.80731	11.1
433.22260	70.9
553.25555	48.9
553.33612	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	553.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	9.5
56.92037	5.7
60.01011	5.9
60.38202	5.8
63.17591	5.8
67.05502	16.7
69.07054	8.9
79.05464	15.5
81.07069	13.6
84.38219	6.2
87.77808	6.2
91.05476	11.7
92.68212	7.1
93.07025	13.5
94.64225	7.7
95.04957	13.9
95.08593	10.0
97.06536	10.4
105.03385	55.1
105.07031	53.1
107.04950	94.4
107.08578	44.4
108.05273	34.3
109.10150	9.7
113.86807	6.5
119.08591	41.4
121.06484	25.1
121.10127	36.6
125.50497	6.2
129.06967	14.2
131.08582	13.0
133.06465	12.8
133.10098	75.3
134.09657	8.1
135.08047	12.8
135.11670	12.7
143.08562	30.3
145.10104	41.8
147.08084	14.5
147.11726	16.7
149.05962	38.4
155.08542	33.0
157.10101	38.1
159.08037	10.5
159.11734	15.1
161.09583	11.7
162.30157	7.4
163.11197	7.7
167.07010	8.2
169.10130	36.2
171.08067	9.2
171.11655	17.0
173.09592	14.0
175.07512	9.0
175.11159	10.0
179.08597	13.8
181.10190	12.0
183.11650	33.9
184.07407	11.1
185.13190	16.3
192.09225	10.6
193.10143	27.0
194.11836	97.0
195.11951	68.6
197.09560	15.7
197.13322	16.6
199.11160	10.8
199.14838	7.8
207.11690	17.3
209.13213	33.0
211.11224	33.6
211.14821	7.9
215.10645	13.4
219.11664	14.8
220.12549	13.9
221.13214	10.5
223.11049	11.5
223.14696	23.0
225.12727	42.0
225.16345	8.4
234.14044	36.5
235.11247	8.6
235.14940	13.3
237.16345	8.9
239.10857	10.6
239.14101	7.4
239.17912	8.4
239.44044	6.7
241.16084	7.2
249.16364	37.1
250.73099	6.6
251.14368	10.3
253.15945	10.8
259.14825	8.4
267.17328	35.9
277.15897	49.9
295.16940	100.0
313.18073	47.5
355.19101	46.1
364.13968	6.8
373.20096	62.7
415.21057	10.9
431.68494	7.8
433.22205	12.4
493.31741	9.9
517.24329	10.0
535.25385	9.3
553.25574	10.3
553.33539	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76702	0.7
61.35674	0.8
74.87579	0.8
85.02901	4.1
89.61924	0.9
94.07775	0.8
97.02857	1.1
103.05488	1.6
107.04943	1.8
110.40698	0.8
121.06484	1.2
131.04919	39.2
137.05971	32.2
145.06500	1.6
147.04446	1.4
149.05949	1.2
151.03874	1.5
153.05458	100.0
163.07529	23.8
165.05441	6.5
167.07025	1.2
175.07526	1.8
179.07004	1.8
181.04898	1.5
181.08603	1.0
191.06998	1.0
193.05003	8.2
195.06442	6.2
205.08601	2.0
221.08162	1.5
223.09700	3.6
233.08151	5.8
233.75784	1.0
237.09949	1.1
238.92757	0.9
249.75464	0.9
261.09021	4.7
275.07166	1.0
279.10153	2.2
289.08554	4.4
293.11792	1.8
307.09604	7.3
317.10226	1.2
321.11172	4.4
339.12280	4.9
357.13275	16.4
375.14352	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77408	0.5
53.03949	0.5
55.49705	0.6
61.02916	1.2
69.03416	2.7
70.83095	0.5
81.03442	1.0
85.02898	14.9
85.06541	2.4
97.02902	4.4
97.06463	1.0
103.05462	3.4
107.04944	1.3
109.02863	0.8
109.77071	0.6
121.06499	1.3
121.10147	0.7
127.03923	1.5
129.07001	0.6
131.04921	39.1
135.04390	0.7
137.05972	54.2
139.37393	0.6
145.04970	1.4
147.04390	3.0
151.03899	3.5
151.07533	0.8
153.05457	89.7
157.06409	1.1
163.03889	0.7
163.07529	22.5
165.05446	3.4
167.07022	1.4
170.66943	0.6
173.06000	0.7
175.07462	4.3
179.07036	0.7
180.08759	0.9
181.04897	2.4
187.07544	0.8
189.09061	3.2
193.04971	7.8
195.06429	6.8
195.13699	0.9
205.08594	3.6
207.06506	1.0
213.14799	1.5
221.08131	2.3
223.09691	1.5
233.08067	5.9
247.07568	2.5
261.09003	4.3
265.08615	1.0
275.06857	1.4
279.10083	3.5
289.08621	5.5
293.11743	2.8
307.09631	7.1
311.12784	1.3
319.25745	0.7
321.11258	5.8
325.10574	0.7
329.13907	0.8
339.12219	6.1
357.13303	21.7
375.14355	100.0
451.18668	1.2
554.22211	4.2
576.33289	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	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28461	0.6
63.18198	0.6
69.03414	1.1
78.61044	0.6
81.03407	0.8
85.02901	10.6
93.06979	0.7
95.08596	0.8
97.02888	3.0
102.19718	0.6
122.03613	1.2
127.03910	2.4
129.06990	2.6
137.05965	93.2
143.04933	0.8
145.06454	0.8
157.06464	3.9
160.05170	1.2
173.05954	0.7
174.06734	6.5
175.07520	56.9
177.09077	3.1
177.16301	2.0
180.08675	1.0
187.07529	13.6
189.05501	0.9
189.09079	12.8
201.05424	0.9
205.08574	0.7
215.06993	7.5
233.08055	100.0
238.31955	0.6
247.07643	0.8
279.10144	0.8
311.12759	1.1
357.13159	10.5
554.22394	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	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48809	1.0
51.82725	0.9
53.48795	1.2
68.82887	0.9
71.99487	0.9
80.51044	1.0
85.02908	6.0
88.32301	1.1
97.02870	2.1
120.62006	1.0
126.79356	1.0
129.07004	1.5
137.05975	87.6
138.82146	1.2
157.06490	4.2
172.20811	1.0
174.06750	5.8
175.07544	62.3
177.09056	1.8
187.07530	10.3
189.09085	12.6
207.72743	1.2
215.07057	9.2
233.08080	100.0
290.12021	1.2
311.12863	1.3
343.83148	1.0
357.13281	9.5
444.61130	1.3
564.77985	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	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69707	0.9
69.03439	1.4
69.38850	0.9
79.05486	2.4
83.67929	0.9
85.02915	9.0
88.22812	1.1
97.02863	2.2
103.05475	2.7
105.07051	1.4
107.04951	52.9
114.09188	1.3
120.08121	2.6
121.38763	1.0
131.04918	51.6
137.04990	1.9
137.05969	34.8
147.04439	1.5
149.05952	17.1
151.03940	4.3
153.05457	100.0
161.09836	1.3
162.47635	1.2
163.07524	27.9
165.05486	4.4
167.03444	1.0
175.07562	2.5
177.09180	1.3
179.07019	1.7
180.10173	49.2
180.11708	2.2
181.04982	2.1
187.07521	1.6
189.09152	1.4
191.06987	1.2
193.04951	8.8
194.87434	1.1
195.06552	6.4
203.07170	1.4
205.08575	4.2
207.06517	1.6
221.08136	1.7
223.09598	1.4
233.08093	5.9
261.09116	6.1
275.07065	1.2
279.10162	5.2
289.08594	5.5
290.09290	1.6
293.11804	1.6
304.53619	1.1
307.09647	8.2
321.11218	6.2
325.10583	1.3
339.12317	5.0
357.13303	21.6
375.14362	91.1
554.21600	5.6
554.30988	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64661	0.3
61.02919	0.5
69.03415	1.9
79.87440	0.3
81.03377	1.3
84.90157	0.3
85.02905	8.3
92.18441	0.5
97.02873	2.2
99.04435	0.6
109.02823	0.6
109.06499	0.5
122.03645	1.5
127.03934	1.2
129.06990	1.8
131.04955	0.6
137.05971	100.0
143.04968	0.5
145.04964	0.8
145.67912	0.3
149.06000	0.5
157.06474	1.7
163.07529	1.3
165.05481	0.7
167.06996	0.4
174.06767	1.8
175.07523	4.5
187.07578	0.5
189.09123	4.2
191.07054	0.4
205.05510	0.3
205.08580	1.2
233.08078	3.3
251.10843	0.6
268.24844	0.3
273.98737	0.4
279.10236	1.7
290.57230	0.3
311.12607	2.7
328.58319	0.3
329.13828	4.6
339.12265	0.5
357.13321	6.9
375.14377	11.3
392.16806	0.5
467.41150	0.3
554.22290	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	554.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41271	2.2
62.90933	2.3
65.80111	2.9
69.68645	3.2
89.84534	2.5
90.24620	2.6
94.98254	2.6
100.11156	2.4
107.04928	12.9
119.08592	4.4
119.93251	3.1
131.04887	3.9
135.08047	3.7
137.05971	40.3
149.05954	3.4
159.23941	2.7
165.05473	4.4
167.08638	4.0
170.48090	2.8
180.10219	5.1
181.10150	12.7
183.08086	3.3
185.09663	2.9
193.10182	3.0
194.10806	2.9
195.11763	6.5
197.09555	3.8
204.09244	2.8
209.13295	16.1
211.11313	3.4
218.73639	3.0
219.11684	6.4
222.10364	14.4
227.14217	3.7
237.12701	54.3
255.13782	21.3
277.16141	4.5
281.18832	2.8
297.14926	2.8
305.26831	3.2
309.96448	3.0
313.17886	3.5
315.15918	100.0
373.19571	2.8
375.14188	6.7
415.21179	3.5
554.30896	5.0
582.74835	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	554.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24381	5.1
57.93908	5.0
64.79212	5.5
67.05481	7.6
72.02898	5.0
78.14749	5.5
81.07058	8.3
91.05448	24.2
93.07030	36.8
94.50926	5.2
95.04948	8.0
95.08604	9.1
101.63448	5.4
105.07026	29.9
107.08598	21.4
109.06544	6.7
109.10179	19.6
119.08554	54.5
121.10136	9.7
131.08548	12.0
133.06483	28.1
133.10124	34.9
135.08052	100.0
137.09575	24.2
143.08563	25.2
145.10158	12.9
147.08058	22.8
149.09589	48.2
155.08597	7.5
157.10088	21.0
159.08073	8.5
159.11713	7.8
161.09596	46.2
163.11121	9.6
165.07021	7.0
167.08618	7.5
169.10112	42.9
173.09537	6.9
175.11198	6.2
181.10048	18.2
183.11678	11.2
185.09607	9.1
185.13354	9.1
187.11150	25.1
195.11722	22.7
197.09639	23.2
199.11122	9.5
206.10904	7.6
209.13239	21.6
211.14825	42.3
213.09070	5.9
213.12726	8.3
221.13297	36.6
223.14774	6.5
224.11958	6.9
237.12622	11.7
239.14265	93.1
246.14067	7.4
249.12706	7.2
251.17918	26.0
257.15353	8.1
264.15097	10.7
269.19000	7.5
279.17361	62.3
297.18527	76.2
315.19611	5.7
339.19476	49.7
352.02487	6.5
357.20575	22.3
417.22827	12.4
477.24115	8.3
518.69812	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	554.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48531	1.6
60.91028	2.1
63.73973	2.0
81.07066	4.6
92.17748	2.4
93.07008	4.4
95.08608	2.3
96.25200	2.1
97.06520	9.8
104.04140	2.3
105.07013	10.1
107.08578	5.0
113.06040	2.4
117.07052	2.8
119.08577	15.5
121.06474	5.1
121.10097	9.0
129.07039	2.6
133.06371	2.3
133.10095	11.4
135.08066	36.7
137.05972	2.9
141.33826	2.2
143.08519	5.1
145.06485	100.0
145.10114	10.5
147.08012	19.0
147.11674	7.8
155.08588	7.5
156.09360	2.9
157.10118	11.3
159.11678	12.4
163.06148	3.0
163.07529	94.5
165.09111	10.1
169.10110	8.8
171.11671	15.8
173.13229	4.0
183.11726	17.1
195.11790	8.7
197.13272	13.9
199.11143	10.8
205.08675	18.2
207.11696	13.7
209.13316	9.1
211.11203	4.2
211.14803	4.5
213.13007	2.4
213.16344	2.1
223.14771	3.3
225.12805	9.3
225.16255	3.8
234.14047	3.3
239.14301	4.6
239.17876	41.9
249.16368	17.4
257.19025	4.7
267.17419	64.9
281.63651	2.0
285.18472	23.4
295.11841	19.1
327.19531	58.8
345.20673	2.2
357.20761	5.0
387.21710	16.0
447.23505	4.5
477.24802	26.5
554.29468	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	554.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62941	7.1
72.11380	6.8
73.99366	6.7
81.07042	15.3
83.08619	7.7
93.07030	11.5
95.04963	13.9
95.08601	14.9
105.03395	62.9
105.07030	11.1
106.03738	29.9
109.06528	8.2
119.08576	47.9
127.00848	9.0
130.03757	7.8
131.08531	15.0
133.10112	15.9
139.54012	7.5
143.08539	17.0
145.10118	16.7
147.08035	10.1
155.08568	8.3
169.10124	34.1
171.11678	12.1
181.10141	28.2
182.98274	7.4
183.11673	15.8
184.62051	8.2
185.09586	10.8
193.10162	18.6
195.11670	18.4
207.11655	14.6
209.13268	18.0
219.11746	27.7
221.13147	15.6
231.11644	17.0
233.13155	9.4
235.14827	12.4
246.14041	35.1
251.17979	12.5
261.16495	52.6
279.17371	100.0
297.18332	27.6
305.53250	8.4
333.91049	9.2
339.19354	54.7
417.23047	13.8
477.24850	17.5
519.25519	13.3
560.79095	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	554.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.5
59.47715	4.0
59.53325	3.8
63.73108	3.9
67.05500	6.8
75.33918	4.7
79.05511	4.5
81.03408	8.8
81.07047	24.4
83.04979	18.2
86.09704	9.8
91.05492	10.6
92.17941	6.2
93.07024	19.3
95.04971	19.7
95.08593	6.5
105.03407	41.1
105.07042	23.5
106.03706	6.9
106.17986	5.2
107.04952	55.4
107.08616	40.7
109.06529	5.3
109.10147	9.6
117.07058	5.3
117.93209	5.0
119.08572	35.9
121.06475	5.8
121.10152	19.3
123.11679	4.5
131.08568	10.1
133.06493	10.4
133.10141	64.0
135.08057	100.0
143.08582	23.7
145.06511	6.4
145.10114	35.6
147.08044	18.8
147.11725	8.4
149.05998	26.0
155.08554	18.7
157.10117	24.9
159.08087	7.2
159.11690	9.5
161.09654	10.9
163.11182	10.0
165.06990	4.8
167.08473	6.4
169.10167	10.7
170.10544	4.9
171.11674	8.8
173.13258	6.6
179.08496	6.3
181.10124	32.9
183.11807	14.7
184.07332	42.0
184.25203	4.8
185.13252	9.9
193.10100	10.7
194.11824	56.3
195.11681	43.9
196.12341	5.7
197.09569	5.8
197.13330	6.9
199.11253	4.8
201.12837	4.7
205.10283	6.9
206.16008	4.3
207.11670	16.8
208.12354	7.7
209.09441	4.9
209.13255	28.5
211.14832	7.8
219.11702	17.4
220.12523	7.8
221.13196	10.3
223.11282	7.5
223.14781	44.2
231.11652	34.8
234.14047	6.2
235.14690	22.2
237.12651	6.5
237.16458	18.2
241.15959	4.4
246.13989	49.3
249.16339	11.1
251.17899	19.8
261.16339	68.1
265.19525	28.3
269.18954	5.9
279.17429	55.9
281.19037	20.8
283.17252	5.9
283.20514	28.7
293.44409	4.9
296.17062	4.7
297.18378	5.1
339.19452	32.1
363.76855	5.2
515.06165	5.2
519.26141	7.0
554.33575	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56713	0.7
54.67897	0.7
56.32362	0.8
63.44602	0.8
73.85430	0.7
79.05486	6.5
92.18517	1.7
95.08624	1.2
105.07041	3.2
107.04950	100.0
107.08592	1.3
108.95182	0.9
111.25651	1.0
119.08610	1.2
120.08092	12.8
126.12764	1.0
149.05960	25.7
151.07567	0.9
180.10176	64.8
195.11569	1.0
219.97458	0.8
233.24232	1.1
241.04329	0.9
297.18344	1.5
311.61612	0.9
412.98184	0.9
494.28738	1.4
554.31061	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38023	1.1
59.26994	1.2
68.03719	1.3
79.05488	7.3
81.91978	1.4
92.17896	1.8
93.07027	1.8
102.74146	1.3
103.84103	1.4
105.07040	2.3
107.04950	97.5
107.44394	1.2
112.59929	1.4
119.08571	2.6
120.08112	14.8
133.10126	2.8
137.09627	1.9
140.03468	1.5
149.05975	27.0
180.10181	100.0
211.14897	1.9
230.73808	1.5
239.61301	1.5
297.18448	3.0
315.19409	2.3
329.19516	1.7
476.27878	1.8
494.28964	7.0
522.61951	1.3
554.31128	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80798	1.3
55.05510	2.2
57.62500	1.5
62.95115	1.8
67.05507	3.0
69.07071	3.0
73.81417	1.5
79.05476	6.3
81.07052	12.6
91.05477	21.6
93.07053	8.7
95.04974	7.2
95.08597	9.5
96.24976	1.7
97.06537	1.8
105.03388	4.1
105.07023	31.9
107.04945	19.7
107.08577	14.2
109.10132	11.5
117.07011	7.2
119.08560	24.2
120.04672	1.7
120.08123	3.4
121.06452	2.5
121.10159	13.0
123.08099	1.8
123.11674	3.5
125.09562	1.6
128.06226	6.1
129.06982	9.1
131.08563	100.0
133.06497	11.1
133.10132	45.5
135.08032	6.5
135.11711	6.9
141.07054	2.0
143.08575	26.4
145.10138	22.2
147.08078	2.7
147.11667	2.4
149.05968	3.6
149.09671	3.1
151.07512	1.8
155.08571	14.4
157.10117	17.2
159.11711	13.0
160.98763	1.5
161.09628	12.6
161.13135	1.8
163.11217	2.1
167.08586	2.0
169.10103	15.5
171.11685	11.2
173.13261	3.4
179.08537	2.6
180.10269	19.8
181.10057	9.4
183.11671	16.5
184.07338	1.7
185.09900	1.9
185.13196	3.1
192.09378	2.7
193.10114	6.7
195.11705	15.8
196.09773	2.8
197.13297	15.6
206.11035	2.4
207.11743	12.6
209.13220	10.6
211.14830	8.2
221.13173	12.2
223.14804	6.5
225.12717	3.2
225.16359	2.8
234.13922	1.7
237.16306	2.1
248.15543	2.7
251.17928	16.4
253.19548	14.1
263.17969	13.8
269.19080	8.7
281.18961	30.5
299.20148	15.0
317.84460	1.8
341.20984	6.9
359.22238	3.8
401.23276	6.6
477.28391	14.6
554.32489	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	554.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.5
79.05491	8.2
81.07047	15.7
86.09711	1.6
91.05466	9.1
92.18497	2.7
93.07037	17.3
95.04971	6.8
95.08599	16.9
95.57072	1.3
96.67834	1.3
105.07014	16.5
107.04935	16.5
107.08597	28.4
107.98962	1.5
109.06508	2.6
109.10150	13.3
117.07011	5.8
119.04929	6.0
119.08587	29.8
121.06498	1.4
121.10128	13.2
123.11676	6.9
131.08549	10.2
133.06483	5.6
133.10129	55.4
135.08049	100.0
135.09097	3.3
135.11687	5.2
137.09621	1.7
141.07043	1.4
143.08563	9.8
145.06511	5.8
145.10129	36.6
147.08058	2.5
147.11653	9.2
149.05943	2.5
155.08604	3.1
157.10123	13.0
159.06523	1.8
159.11716	9.2
161.09570	13.8
161.13292	1.8
163.11171	20.4
166.43608	1.5
167.08600	2.0
169.10118	7.6
171.11655	11.6
173.09642	2.1
173.13264	8.2
175.11234	2.3
176.06607	1.7
179.08505	1.5
179.10637	6.9
180.10248	2.6
181.10144	6.3
182.71211	1.4
183.11670	11.9
184.07347	7.0
185.09625	2.2
185.13261	5.5
187.11221	2.4
189.12686	2.2
194.11745	9.4
195.11685	13.8
197.13225	10.1
199.14827	3.0
201.12794	2.6
208.12447	2.0
209.13240	16.1
223.14818	17.4
227.14328	3.3
235.14850	1.5
237.16399	2.1
239.17955	2.9
241.15729	1.7
265.19504	39.6
283.20560	30.1
301.21484	2.6
325.21915	2.2
385.23666	13.4
477.28491	5.8
554.33411	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99524	2.7
58.58677	2.4
59.32310	2.8
62.70635	2.5
64.20212	2.5
64.89661	2.5
67.05484	5.0
69.07071	3.3
70.09991	3.2
74.20118	2.6
79.05482	16.6
81.07053	12.1
91.05450	22.5
91.34852	2.7
93.07037	15.1
95.04973	5.7
95.08591	17.1
105.03371	3.1
105.07019	29.7
107.04952	100.0
107.08608	32.1
109.06516	3.3
109.10167	9.6
117.07005	6.4
119.04907	3.7
119.08575	38.2
120.08094	49.3
121.10126	18.9
121.73000	3.6
131.08554	11.8
133.06462	4.0
133.10136	49.0
135.08051	81.7
135.11592	3.5
143.08578	13.9
145.10103	28.9
147.11678	6.9
149.05978	26.2
151.11211	3.2
155.08412	4.6
157.10114	22.2
159.08080	3.9
159.11688	4.7
161.09636	6.8
163.11162	18.7
169.10085	16.9
171.07970	3.3
171.11665	6.4
179.10742	5.0
180.10207	52.2
181.10123	10.5
183.11644	12.8
194.11708	16.6
195.11742	10.9
196.09686	14.3
197.13222	4.0
206.41820	3.0
207.11771	3.8
208.12399	3.9
209.13277	20.8
221.13181	3.3
223.14789	15.2
225.16208	4.4
235.14790	3.7
246.14021	4.8
251.17940	10.7
261.16373	12.8
265.19492	30.8
279.17557	13.5
283.20624	29.6
297.18408	13.1
357.20557	6.6
385.23862	5.2
536.30084	30.4
554.33087	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	554.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90047	3.7
55.05512	9.8
67.05505	15.8
69.03426	7.1
72.18404	3.6
79.05508	28.5
81.03419	7.6
81.07061	80.8
81.51951	3.6
83.04994	14.9
83.08620	4.8
85.06515	4.3
91.05489	33.5
93.07036	48.3
95.08596	40.8
101.05966	6.6
105.07034	70.1
107.04951	32.2
107.08595	56.9
109.06521	14.6
109.10124	31.6
117.07008	9.3
119.04911	4.6
119.08566	51.7
121.06467	15.6
121.10142	85.8
123.08077	8.8
123.11693	23.8
125.09586	4.9
129.07001	8.6
131.08551	54.5
133.06503	37.4
133.10133	94.3
135.08040	44.9
135.11685	8.5
137.09602	16.9
139.11194	24.9
143.08548	29.1
145.10118	59.7
147.08105	17.2
147.11681	25.4
149.06000	4.5
149.09601	40.8
151.07510	7.6
151.11163	8.8
155.08572	19.5
156.09373	7.2
157.10120	30.8
159.08054	6.0
159.11725	45.6
161.09584	49.0
163.11157	30.8
168.79039	3.8
169.10114	33.1
171.11693	29.4
173.09662	6.4
173.13245	9.4
175.11192	16.6
177.09123	8.8
177.12697	6.1
179.10678	7.3
181.10112	18.0
182.10788	5.6
183.11665	43.9
185.09692	8.3
185.13203	8.8
187.11211	5.0
189.12717	6.2
191.10567	6.2
192.09229	4.5
193.10152	6.9
194.11713	5.0
195.11816	28.7
197.09605	6.2
197.13301	27.3
201.12804	16.1
206.10938	5.0
207.11697	9.7
209.13351	7.2
211.11276	5.4
211.14799	17.1
213.12822	6.4
219.13771	9.6
221.13297	26.5
223.14801	16.5
225.12711	16.8
225.16391	4.7
233.13118	5.7
235.14777	5.4
237.16373	18.4
239.14351	7.7
239.18048	5.1
243.13733	6.1
248.15646	8.6
251.12567	4.8
251.17947	14.7
253.19528	29.9
263.18002	32.9
269.19092	19.4
271.20551	8.5
281.19006	89.6
299.20074	93.9
341.20963	8.9
359.22180	25.9
371.32928	3.7
417.26382	60.6
477.28821	5.9
554.33282	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	554.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76632	1.2
67.05499	3.0
69.07028	1.5
70.67951	1.4
79.05475	8.2
79.42161	1.4
81.03410	2.0
81.07059	12.4
83.04964	2.3
91.05453	12.7
91.16669	1.7
93.07049	18.4
95.04967	2.4
95.08613	15.0
104.25196	1.5
105.07043	15.6
107.04962	16.8
107.08605	32.3
109.06543	2.5
109.10166	25.7
117.07010	3.3
119.04970	7.0
119.08565	36.0
121.10117	12.9
121.21877	1.7
122.30485	1.5
123.08072	2.8
129.06999	3.2
131.08551	7.4
133.06491	9.2
133.10089	12.2
135.08047	100.0
135.11705	3.0
137.09625	8.1
141.07014	2.3
142.07823	1.8
143.08546	8.5
145.06444	2.8
145.10150	19.2
147.11717	6.6
149.05986	3.5
149.09674	1.9
155.08554	6.7
157.10129	11.6
159.11710	2.5
161.09625	15.2
163.11192	25.1
165.07057	1.9
168.09381	1.8
169.10155	13.1
171.11684	8.3
175.11134	2.8
179.08577	1.6
179.10657	14.1
180.10225	16.2
181.10089	7.7
183.11710	11.0
185.09631	12.1
185.13284	3.1
187.11174	2.1
192.09271	2.1
193.10098	3.3
195.11707	11.5
197.13213	11.2
199.11127	2.1
199.14737	2.1
201.12759	2.2
207.11673	8.5
209.13283	3.0
211.14801	6.7
213.12793	1.6
221.13339	3.2
223.14796	15.1
225.12793	3.4
237.16345	14.5
239.14337	3.3
239.17882	2.4
251.18057	1.7
253.19429	11.0
263.17990	7.4
269.19116	2.0
281.18997	40.2
289.80682	1.5
299.19955	20.9
306.35291	1.7
341.21115	3.8
435.27539	3.5
477.28525	11.0
554.32379	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	1.6
58.61781	1.6
69.07071	2.1
72.77161	1.6
74.50045	1.9
77.18636	1.8
79.05498	2.4
80.06242	1.7
81.07043	2.9
83.04972	1.9
91.05497	2.6
93.07034	8.5
95.08595	9.4
97.06537	2.4
105.07003	3.1
107.08578	15.6
109.07707	1.8
109.10147	4.7
111.08062	3.2
119.08558	8.9
120.91586	2.0
121.06509	3.8
121.10135	4.5
123.08073	2.3
125.09630	2.6
127.51284	1.7
129.06989	2.1
131.08507	2.2
133.10165	8.0
135.08073	16.5
135.11714	4.2
137.09613	100.0
143.08505	3.1
145.10126	11.6
149.09616	18.8
151.11185	3.1
155.08580	2.0
157.10181	3.3
159.08002	2.6
159.11688	2.7
163.11177	36.7
165.09129	4.5
169.10143	3.7
171.08099	2.5
171.11772	6.1
173.09712	2.2
173.13216	2.9
175.11205	2.7
179.10721	2.6
181.10269	2.8
181.12285	3.6
183.11682	9.7
185.13284	4.3
187.11169	3.8
195.11702	4.7
197.09633	2.3
197.13269	4.3
199.11198	20.0
201.12640	3.7
209.13324	2.1
211.11227	2.2
211.14828	8.1
213.12735	3.8
225.12816	7.9
237.16298	7.9
239.14314	12.0
239.18022	3.5
251.19803	2.0
253.15828	8.2
255.17426	19.9
257.15549	3.5
257.18933	2.1
271.16885	9.2
281.18954	17.4
299.16699	3.4
299.20071	87.1
317.17938	3.4
317.21194	43.2
359.22269	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	554.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
63.58480	0.6
65.48297	0.7
67.05498	2.5
78.44595	0.5
79.05482	3.4
80.64848	0.5
81.07054	4.1
83.04982	4.8
91.05464	3.6
93.07047	6.5
95.04952	1.5
95.08597	3.6
97.06531	0.6
105.03374	3.8
105.07034	8.0
106.03734	1.1
107.04964	1.1
107.08586	19.3
109.06503	1.1
109.10147	17.3
114.27859	0.6
117.07021	1.3
119.04911	5.0
119.08600	5.7
121.06486	0.9
121.10132	22.0
123.08041	3.3
131.08572	3.2
133.06506	3.0
133.10115	6.4
135.08044	100.0
137.09627	6.2
139.11200	1.0
143.08574	3.7
145.10129	3.2
147.08031	0.7
147.11661	0.9
149.09619	2.7
153.09062	0.8
155.08562	1.2
157.10120	2.8
159.11671	1.4
161.09605	7.9
163.11209	2.8
169.10068	2.3
171.11714	2.7
173.13187	1.0
179.10660	7.7
181.10146	1.3
183.07936	0.7
183.11633	2.3
184.07332	0.9
185.13260	1.1
195.11647	2.8
196.12137	0.7
197.13257	1.5
199.11122	1.1
201.12653	0.8
208.12445	0.7
209.09685	0.7
209.13330	1.2
213.12788	0.8
221.13181	1.0
223.14969	1.1
225.12755	0.9
237.16492	1.2
239.14336	0.8
241.15875	3.1
255.17520	1.3
259.16824	1.1
281.18997	3.2
299.20016	6.9
317.21106	10.3
391.83713	0.8
435.27362	2.6
477.28519	12.8
513.72803	0.7
554.33057	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	554.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	7.7
69.03419	12.2
69.07054	1.6
75.33096	1.6
79.05489	3.6
81.03426	37.9
81.07063	20.0
83.08595	2.2
91.05468	9.8
93.07038	45.3
95.04972	19.2
95.08606	17.6
101.03654	1.7
105.03375	3.6
105.07041	24.1
107.04942	3.9
107.08600	42.4
109.06514	8.8
109.10160	20.4
111.08034	5.4
117.06995	7.0
119.04932	9.3
119.08569	27.2
121.06512	6.8
121.10162	20.6
123.08083	2.4
131.08557	9.3
133.06483	9.2
133.10147	45.9
135.08055	100.0
135.11703	9.5
137.09666	7.6
143.08577	12.8
145.06453	12.2
145.10136	21.8
147.08015	2.3
147.11696	12.3
149.09604	2.5
149.13329	2.8
155.08551	4.0
157.10117	15.4
159.08034	7.3
159.11722	12.7
161.09616	100.0
161.13229	3.7
163.11160	17.9
169.10130	8.5
170.63556	1.7
171.11630	16.6
173.09567	6.5
173.13231	13.0
175.11214	7.4
181.10204	3.4
183.11722	9.5
185.09618	3.5
185.13219	9.6
187.11208	3.3
189.12752	2.5
193.10350	2.4
195.11739	7.5
197.13222	3.0
199.11104	3.2
199.14836	3.3
201.12729	8.8
209.13266	7.7
211.14806	6.5
211.36794	1.8
213.16354	1.8
215.14322	3.0
223.14824	10.0
225.16327	3.6
227.14322	9.2
227.17999	2.6
235.14987	2.1
240.15141	2.0
241.15881	6.5
253.15842	2.4
255.17313	2.7
255.21024	5.9
265.19528	9.4
269.19025	7.2
283.20566	62.3
297.18539	2.1
299.20087	3.2
301.21548	3.2
343.22668	48.3
417.22830	6.9
477.28314	9.0
554.29803	14.5
558.29254	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	554.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52177	4.7
72.91426	4.8
81.07050	28.3
83.08625	7.9
91.05452	7.4
93.07051	25.3
95.08591	26.5
97.06554	11.2
101.06046	7.2
105.03368	6.0
105.07038	39.7
107.08612	30.3
109.06515	7.7
109.10159	9.8
119.08589	95.2
121.06463	10.9
121.10126	25.8
131.08565	33.8
133.10121	22.8
134.21408	4.8
135.08063	10.0
137.09628	63.1
138.98949	6.7
143.08569	29.3
145.10101	49.6
147.08090	6.2
147.11629	9.3
149.09596	68.7
155.08578	30.5
157.10110	47.8
159.07922	5.4
159.11664	22.8
161.09579	8.0
163.11176	13.8
169.10104	25.3
171.11661	24.1
173.09605	6.3
175.11195	8.8
181.10147	10.9
183.11693	29.3
185.09621	5.7
185.13268	27.3
187.11151	7.5
195.11674	25.0
197.13303	22.1
199.11168	21.5
201.12717	8.1
208.12512	5.5
209.13167	6.9
211.14804	27.6
213.12758	10.0
215.14365	6.9
221.13214	7.1
221.78351	5.7
225.16299	7.7
227.17908	6.8
237.16377	11.1
239.14256	8.4
241.15869	7.1
253.19597	30.6
255.17445	63.3
257.18851	7.4
263.17966	6.3
271.20508	9.2
279.17484	6.2
281.18964	100.0
299.20010	91.3
315.19601	6.6
341.21176	8.1
359.22165	40.5
446.78665	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	554.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43188	0.9
55.78240	0.8
63.02114	0.8
67.05531	1.2
79.05492	8.0
81.07030	1.1
91.05483	2.2
93.07027	2.3
95.04890	1.1
95.08588	3.8
100.53962	0.9
103.56510	1.0
105.03402	1.2
105.07012	6.3
107.04953	95.6
107.08568	4.1
109.06467	1.3
109.10124	1.9
117.07048	1.0
119.08583	7.9
120.08096	13.4
121.06489	0.9
121.10141	4.5
123.08020	1.2
123.11720	1.0
131.08577	1.5
133.10124	6.0
135.08107	1.2
135.11691	5.7
137.09637	1.0
143.08566	4.0
145.10136	4.2
147.11694	2.1
149.05972	25.1
155.08574	1.4
157.10129	5.6
159.11707	1.7
167.08559	1.1
169.10124	1.9
171.11731	1.4
180.10216	19.2
181.10069	1.3
183.11687	4.7
194.11755	100.0
195.11691	1.9
197.13286	1.3
199.14799	4.2
207.54570	0.9
209.13248	1.6
223.14777	1.6
225.16302	1.7
265.19412	1.1
271.16794	1.3
292.04617	1.1
331.19083	1.2
357.20642	1.6
450.66544	1.2
536.30090	10.9
554.35284	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	554.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01366	0.8
74.32431	0.9
76.53172	1.2
79.05479	6.2
91.05450	5.0
103.05449	1.3
105.07000	1.8
107.04953	100.0
107.08589	1.4
109.39005	1.0
119.08575	2.0
120.08102	4.2
131.04939	14.4
132.05263	2.0
134.09656	2.0
137.05969	7.0
138.06357	1.8
149.05966	25.8
153.05409	1.3
157.10155	1.5
163.07509	2.5
163.11012	1.0
164.73680	1.0
171.11609	1.2
173.05920	1.2
180.10141	9.2
189.09138	1.0
194.11757	88.9
195.12189	1.1
196.09628	4.9
329.69946	1.0
519.29364	1.3
554.35187	25.9
556.53540	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	554.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10627	0.4
53.10884	0.4
55.05519	0.6
67.05520	0.5
68.60246	0.4
69.07077	0.7
79.05499	8.0
81.07044	1.0
83.08619	0.8
91.05453	1.3
93.07031	3.3
95.04951	0.6
95.08584	2.1
97.10208	0.6
105.07042	5.4
107.04953	82.7
107.08592	6.0
108.05280	1.0
109.06528	0.7
109.10162	2.1
117.06963	0.8
119.08584	6.1
120.08099	4.0
121.10175	3.9
123.08038	0.7
123.11667	2.1
131.08600	3.0
133.10123	3.5
134.09656	2.8
135.11710	4.5
137.09631	0.8
143.08548	1.2
145.10101	3.2
145.61197	0.6
147.08023	2.4
147.11684	2.8
149.05978	18.6
152.46924	0.5
155.08563	2.2
157.10095	3.2
159.11659	0.9
161.09674	0.5
165.09091	1.3
169.10129	1.2
171.11647	2.4
173.09660	0.8
180.10187	4.2
181.10062	0.5
183.11687	3.0
185.13232	2.9
189.12772	0.6
191.30504	0.5
194.11765	100.0
195.11824	1.1
197.13246	2.4
199.14915	0.8
205.12314	0.7
209.13289	1.2
223.14742	1.1
225.11205	0.6
225.16422	1.0
235.34364	0.6
236.12762	1.0
239.17769	0.8
253.19531	0.7
257.18921	0.7
265.19598	0.6
283.20590	2.1
301.21576	2.1
361.23520	0.9
536.29968	2.4
554.34985	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	555.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.5
76.64976	1.5
80.05070	1.7
84.96018	3.7
90.90226	1.6
98.97572	42.8
103.14053	1.5
110.97539	15.6
116.98584	12.1
128.98596	11.6
140.98595	7.1
143.00171	21.9
143.01913	2.3
146.99638	3.0
152.98592	6.2
158.99643	53.1
161.01242	17.4
168.98055	6.0
170.99638	69.1
173.01146	2.1
177.00691	25.6
182.99625	33.0
185.01266	2.1
186.99133	28.6
189.00717	31.1
190.77626	1.6
194.99600	3.7
195.01860	1.8
197.02908	1.8
201.00699	97.4
205.00166	22.5
213.00720	12.3
219.01765	88.2
229.00163	18.1
230.98120	17.3
231.01793	10.0
235.50438	1.5
237.02815	37.4
243.01756	52.3
245.05164	3.0
246.98904	1.6
247.01277	7.2
248.99225	21.5
250.51256	1.7
251.04413	4.0
253.07623	3.1
254.97900	2.7
261.02792	100.0
269.05521	2.6
272.99185	17.4
273.02603	2.4
279.03864	49.9
291.00436	3.8
291.03882	13.6
302.99860	1.9
321.04831	24.4
331.03296	3.5
333.01215	2.4
351.05942	6.0
375.02179	8.4
381.06793	12.9
393.03369	9.2
399.08118	10.1
493.08319	9.2
511.09650	8.4
537.07495	82.1
555.08118	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	555.1292
Annotation	2'',3''-Dihydroochnaflavone 7''-O-methyl ether
Peak:m/z	Relative Intensity
52.71417	0.6
55.05501	0.6
55.27691	0.5
61.72656	0.6
67.01868	9.7
67.05516	0.6
78.51151	0.6
78.59250	0.6
79.05494	0.6
84.92821	0.6
90.27759	0.7
91.71259	0.6
93.94977	0.6
99.04433	1.0
105.03409	0.8
107.04966	0.8
111.00692	0.6
121.02838	5.9
137.05899	0.7
141.05518	0.9
148.56654	0.6
153.01797	0.8
164.39883	0.7
167.03381	78.9
185.04459	20.7
187.03865	0.8
189.49445	0.7
193.04936	1.2
253.05008	1.5
270.05212	5.6
279.02722	1.1
297.03870	1.4
345.07840	0.7
375.08789	0.7
389.10144	75.8
415.08163	13.2
513.11212	0.7
555.12781	100.0
564.23254	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	555.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71467	1.4
62.13843	1.4
70.30298	1.4
85.02886	6.4
95.08553	2.0
97.02820	1.8
105.03387	100.0
109.02808	1.7
121.10123	3.1
130.42264	1.6
147.04431	1.8
177.16351	6.5
178.16760	7.1
189.01767	6.7
195.02852	7.6
201.01778	5.2
201.05440	2.0
207.02791	5.5
214.18877	3.3
215.03645	2.3
219.02853	16.3
229.05006	1.8
231.02931	10.0
243.03008	11.9
243.06596	2.2
249.03996	3.2
255.02831	6.8
255.06470	20.3
261.03946	7.5
267.06534	14.0
271.06161	1.6
273.03998	10.0
279.06445	14.9
281.04352	3.4
283.05957	3.8
285.03934	3.1
285.07425	3.4
293.08115	6.2
297.04053	3.1
297.07516	9.1
305.08026	2.0
309.04034	3.1
309.07556	18.8
309.46484	1.7
321.07675	23.3
333.07556	10.5
335.09091	2.5
339.05121	1.8
339.08722	8.7
345.07477	2.8
351.08765	15.4
357.05722	1.9
359.09146	2.5
363.08429	11.2
369.09753	2.3
375.08685	10.7
381.09708	7.3
387.10001	7.6
399.10489	9.4
405.09738	9.5
417.11826	16.5
423.10718	6.5
435.10828	2.0
441.11777	15.9
447.10971	2.7
453.11795	18.4
465.11777	3.5
483.12823	10.7
501.13959	10.1
508.25031	1.7
519.14807	2.6
526.37677	2.0
538.60156	1.8
555.27448	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	555.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38301	1.9
60.89357	1.5
67.05491	2.5
72.98637	1.6
79.05490	2.1
81.07047	2.5
81.25510	1.9
83.01080	2.8
91.05461	3.4
93.07040	7.1
95.04986	2.9
95.08597	4.3
105.07016	4.3
107.08587	4.1
109.10090	6.3
113.52020	1.7
117.06982	2.7
117.58669	1.7
119.07816	1.9
119.08547	14.7
121.10123	3.3
122.71001	2.0
126.26705	2.0
133.10126	27.6
143.08540	2.8
145.10136	21.2
147.11722	4.0
157.10106	3.3
159.11635	4.1
161.09457	2.0
181.10098	2.4
192.12807	1.8
209.13147	2.2
223.14893	2.2
265.19522	2.9
297.31799	1.9
312.40323	2.2
347.19818	2.7
393.24252	2.3
406.80533	1.9
435.25415	2.7
555.29248	100.0
555.37250	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	555.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	3.7
57.03440	4.3
57.07084	38.8
59.66505	2.0
64.26861	2.0
64.85705	1.8
67.05516	8.0
68.96292	1.8
69.07053	8.6
71.08636	30.3
81.07076	16.4
83.08619	4.2
85.10195	18.7
85.10647	2.2
95.08611	21.9
97.10193	2.7
97.58395	2.2
98.98466	68.4
109.02876	8.9
109.10152	12.9
111.11666	2.6
114.42811	2.1
155.01039	100.0
190.09631	2.1
200.84952	2.4
220.00955	2.2
239.23830	2.7
313.27368	73.0
317.06299	3.4
393.23975	12.1
401.29025	5.0
449.18106	2.7
537.27917	13.0
555.29205	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	555.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03426	6.4
57.07078	32.5
59.62839	1.1
67.05495	8.1
67.07445	1.2
69.07056	7.6
69.55865	1.1
71.08628	28.2
79.25601	1.1
81.03411	7.2
81.07045	13.7
83.08629	10.5
84.73376	1.2
85.10201	13.1
87.02628	1.4
95.08607	18.6
97.10140	4.4
98.98465	69.8
99.04453	1.7
109.02886	3.2
109.10172	11.5
123.11711	1.6
139.67923	1.4
146.73685	1.1
155.01030	100.0
217.39020	1.4
237.49791	1.3
239.23729	5.3
274.21524	1.3
313.27332	68.2
317.06332	7.6
393.23904	18.1
401.28989	7.6
506.74472	1.5
537.28119	13.2
555.29224	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	555.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32663	3.3
59.77053	3.0
62.49907	3.2
67.05492	17.1
69.03430	15.6
69.07072	14.7
79.05497	14.3
81.07059	100.0
83.04998	4.9
83.08626	14.0
83.61275	3.2
85.02890	17.0
85.06544	25.9
93.07027	53.6
95.08604	83.8
97.02899	4.9
97.06512	15.4
97.10150	3.9
98.37399	3.3
99.08070	5.5
99.14428	3.6
105.07029	16.7
107.08602	68.2
109.06533	4.3
109.10167	73.3
111.04436	3.8
111.08081	17.5
115.03932	21.8
119.08598	19.0
121.10137	48.6
123.08084	24.6
123.11700	72.9
125.05968	4.8
125.09631	16.0
129.05472	6.7
133.10146	15.9
135.11655	13.0
137.05995	7.5
137.09621	16.8
137.13260	17.0
141.09111	4.2
145.10098	7.1
147.11684	19.8
149.13246	58.0
161.13245	4.4
163.14815	6.0
165.09074	30.1
167.10625	4.2
173.13283	7.0
175.14809	27.2
185.11803	5.1
185.13344	6.8
191.14343	7.3
203.14346	20.6
221.15335	36.3
239.16391	31.6
257.17432	57.4
303.23239	6.3
309.24261	4.2
321.24255	20.7
327.25345	20.0
339.25241	74.9
342.17072	4.0
357.26273	86.7
375.27396	64.4
393.28552	13.8
403.22495	5.4
555.26984	30.7
555.34161	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	555.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.6
57.03439	4.7
64.03673	3.3
65.67233	3.5
67.05489	4.1
69.03429	5.4
69.07066	8.1
79.05502	4.8
81.07059	69.5
83.08617	4.9
85.02896	18.6
85.06539	46.1
91.05480	4.6
93.07037	40.2
95.08607	62.1
96.13352	3.1
97.02893	3.1
97.06507	19.5
97.10162	4.1
98.52238	3.1
99.08096	6.7
102.63988	3.3
105.07026	20.2
107.08600	39.5
109.06538	4.9
109.10145	37.7
111.08073	21.4
119.08584	22.6
121.10143	42.5
123.08064	6.2
123.11695	56.1
125.09624	18.6
129.09099	3.8
133.10126	23.6
135.11703	22.6
137.05959	48.4
137.09619	14.9
137.13257	13.3
138.06299	17.3
139.07564	7.9
139.11136	3.4
145.10133	13.2
147.11684	60.7
149.13292	37.1
151.11137	5.1
153.09120	12.7
157.08583	26.1
157.09874	4.0
159.11757	6.8
161.13234	21.5
165.09079	18.7
165.12737	18.4
167.10638	25.8
175.14798	31.6
177.16435	5.4
183.13824	13.1
185.11711	13.3
185.13298	4.4
189.16388	5.9
193.15779	12.1
203.14314	17.1
217.19582	13.0
221.15390	17.2
229.19455	7.3
239.16376	26.5
241.02910	2.8
247.20663	4.3
257.17374	32.8
262.97275	3.3
303.23151	7.2
304.48669	3.4
308.04056	4.0
309.24191	5.1
321.24139	16.8
327.25220	23.3
339.25278	74.0
357.26294	100.0
357.30371	5.4
375.27362	92.8
376.14841	4.3
393.28430	14.2
537.32928	5.7
555.33972	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65726	1.1
56.59325	1.0
57.29366	0.9
60.80809	1.0
61.27113	1.0
62.48035	1.2
62.78972	1.1
65.85268	1.0
70.19244	1.0
73.77974	1.0
82.75298	1.0
82.77010	1.2
85.02922	1.6
100.29787	1.0
107.04925	1.5
109.06535	1.2
119.69834	1.0
122.83022	1.2
125.05991	1.7
127.15025	1.3
129.06973	9.1
131.04916	14.2
137.05975	100.0
151.03928	1.5
153.05469	9.2
157.06483	24.5
160.05095	1.5
161.05927	2.5
163.07539	15.2
174.06779	5.4
175.07541	34.6
177.09084	1.1
187.07526	40.3
189.09094	42.4
199.00000	1.1
205.08600	4.7
207.10037	1.3
217.08569	9.2
231.07948	4.8
235.09758	1.6
247.07509	5.0
251.10750	4.1
259.24402	1.2
263.10715	5.9
270.08749	5.3
271.09656	1.7
276.07849	1.9
279.10153	8.8
283.09619	1.3
291.10110	14.1
296.10556	1.4
311.12643	14.5
323.12793	14.6
329.13785	6.1
341.13788	43.6
347.53244	1.3
359.14813	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	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82247	1.7
50.85252	1.9
66.12031	2.0
68.58822	2.1
78.81126	2.1
83.04993	2.1
102.78883	1.9
119.04925	2.3
124.02269	1.8
129.06973	9.5
131.04918	12.5
137.05966	100.0
141.78267	2.0
147.04378	3.2
153.05463	8.0
157.06505	28.2
160.05153	3.5
163.07509	12.6
174.06691	2.6
175.07526	35.8
183.75787	2.0
187.07538	30.9
189.09079	30.1
190.19801	1.9
205.08574	2.3
207.10107	3.3
217.08630	8.6
231.14850	2.3
247.07431	3.5
263.10562	3.0
279.10107	8.3
283.09631	2.5
291.10229	9.0
296.10248	2.6
311.12744	12.9
323.12686	10.4
329.13809	4.5
341.13834	38.2
359.14771	9.6
361.01910	2.4
424.21964	2.8
556.27759	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	556.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
77.82907	3.3
93.07047	4.9
105.07024	5.0
107.04955	23.0
107.08543	4.6
119.08578	4.0
127.70860	3.5
130.26917	4.2
133.10242	4.2
135.07986	4.7
140.56160	3.9
159.41504	3.8
167.08484	6.8
169.10039	4.5
171.08015	4.2
180.10187	16.5
181.10083	6.7
183.11745	4.8
193.10089	6.3
195.11673	17.3
198.75752	4.2
201.12607	4.6
209.13222	9.1
211.11186	7.6
218.55801	4.4
218.65118	3.8
227.42705	4.1
237.12686	43.6
255.13875	8.9
267.17377	5.8
277.16000	7.0
295.16956	20.1
313.17899	5.7
315.15851	100.0
373.19998	4.5
415.21164	6.1
433.22156	5.7
475.23242	3.9
556.31415	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	1.1
58.94790	1.0
59.94001	0.9
63.23864	1.0
79.05486	6.6
81.07034	1.1
86.81035	1.0
91.05487	5.0
93.07022	1.7
105.06986	2.7
107.04951	100.0
107.08582	1.3
113.61583	1.3
119.08614	2.1
120.08108	9.9
121.10139	1.3
136.86955	1.3
149.05968	29.6
157.10031	1.7
180.10187	84.5
182.08162	4.2
327.11978	1.5
368.16196	5.0
420.25223	6.9
496.31091	1.8
556.32825	53.1
577.52728	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	556.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32398	3.4
52.93019	3.8
57.07071	35.5
58.54639	3.4
71.08634	37.8
80.30540	4.1
85.10177	22.9
87.04482	6.2
89.06030	100.0
101.20724	4.3
111.11699	5.6
130.93594	4.4
133.08615	20.1
177.11200	8.2
257.24725	6.8
539.41699	60.0
556.44025	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56065	0.8
51.99739	0.8
56.64758	0.9
63.22245	1.1
75.01517	0.9
98.97578	10.6
116.98605	5.8
134.99692	1.2
216.83249	1.0
247.63422	1.1
255.93100	0.9
256.96411	28.3
274.97495	100.0
292.98557	34.6
297.98984	1.1
314.95386	1.5
398.97461	1.0
414.95215	10.0
416.98929	1.5
432.96414	8.1
433.96640	0.9
514.92883	1.0
556.96509	35.5
562.37683	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	557.12
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13038	1.4
73.52918	1.4
85.51579	1.4
93.98592	1.5
101.00881	2.0
103.30083	1.5
119.01906	6.8
119.11899	1.9
127.02402	2.2
143.01891	26.2
145.03436	13.9
146.56503	1.5
155.01851	18.5
157.03477	2.4
159.04974	10.9
161.02937	20.5
167.01918	11.8
168.71541	1.9
169.03445	44.4
171.01347	6.6
171.05000	11.0
173.02940	16.4
181.03455	14.1
185.02928	30.7
187.04500	56.5
189.02414	10.7
195.05005	1.6
197.02960	12.0
199.04517	16.1
203.03973	11.3
211.04581	14.1
213.02370	12.8
215.00534	1.7
215.03938	9.9
223.28865	1.8
225.02380	6.6
227.03981	9.7
229.05473	2.7
231.03506	21.7
233.01352	2.1
243.03500	3.2
245.05035	64.0
251.02341	1.9
257.01312	10.5
257.05130	2.4
263.06049	9.8
267.03342	2.2
271.06619	3.8
275.02490	56.7
287.02344	10.6
292.70593	1.5
293.03549	3.1
297.04544	2.0
305.03647	3.4
305.06885	2.3
315.05344	2.0
335.04495	7.0
341.17258	1.8
342.72037	1.6
359.04404	2.9
365.08841	2.7
365.33331	1.8
377.05603	25.9
378.49783	1.6
383.60239	1.9
395.06564	42.3
539.10638	10.2
557.11908	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	557.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24695	1.5
54.55068	1.6
64.58768	1.8
64.71296	1.7
82.99815	1.6
85.02882	1.7
86.47601	1.6
93.40871	2.1
101.00882	2.7
119.01890	7.2
131.01878	2.0
143.01035	1.9
143.01929	29.9
145.03441	11.8
155.01862	16.5
157.03458	2.8
159.05025	9.0
161.02965	25.9
167.01859	11.5
169.03453	52.5
171.01337	9.3
171.04965	7.7
173.02962	18.2
179.01843	2.3
181.03358	9.5
185.02937	44.7
187.04533	53.6
189.02458	16.2
189.06143	1.8
193.03581	2.8
195.01355	1.8
197.02887	15.5
197.06593	1.9
199.04543	14.5
203.04007	11.7
211.04559	16.9
213.02499	17.6
213.06102	3.9
215.03935	13.0
221.04912	2.3
223.04587	6.6
225.02414	4.1
227.04021	13.0
228.69803	1.7
229.05685	2.2
231.03436	24.0
233.01321	2.2
243.03476	4.0
245.05052	88.4
257.01370	13.8
263.06073	11.3
271.06509	9.5
275.02420	50.8
275.05896	11.7
287.02386	9.0
293.03537	3.4
293.07074	2.7
305.03494	3.1
315.05515	2.3
335.04504	3.2
351.11298	2.8
359.04568	10.1
365.09274	3.9
377.05679	28.2
395.06683	44.4
514.23816	1.8
539.10974	7.6
545.10706	2.5
557.11920	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	557.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20413	2.1
67.05482	2.2
69.83459	2.3
70.39076	2.0
81.07037	4.1
95.08592	3.0
133.10078	2.6
135.04416	100.0
167.03369	12.7
215.07048	4.7
311.09048	12.8
335.09134	4.3
335.81696	2.4
430.12610	2.5
513.15540	51.3
557.14355	26.0
557.45416	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	557.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32235	1.0
50.56625	1.0
55.01639	1.9
55.01882	37.1
59.75347	1.1
74.79257	1.1
79.05479	4.8
83.04967	1.9
91.05447	2.7
93.03393	2.3
93.07036	1.8
95.04970	7.8
103.05462	14.9
105.07030	2.4
107.04959	15.5
111.04475	10.1
117.07057	2.2
119.04955	2.5
119.08718	1.1
121.06543	9.3
121.10091	1.6
123.04452	15.9
125.05979	6.5
131.04926	71.3
133.06467	2.6
135.04379	2.0
135.08095	1.5
137.05984	100.0
145.06430	1.6
147.04509	1.5
149.05963	8.7
151.03899	23.1
151.05019	1.9
151.07542	7.2
153.05473	8.8
161.05968	8.4
161.09601	2.3
163.03842	2.4
163.07530	31.8
165.05455	1.6
165.09093	2.7
167.07089	4.9
175.07553	5.8
177.05403	11.4
177.09189	1.4
178.06218	9.9
179.07036	2.1
179.46130	1.1
180.10152	6.1
181.08585	2.8
187.07527	1.6
189.09102	5.0
195.06512	46.1
197.05885	1.4
201.09212	1.7
205.08578	1.5
207.10219	1.8
213.09288	2.4
215.70926	1.3
219.10228	5.4
223.09694	2.5
225.09108	1.5
241.08679	2.3
253.08490	5.2
255.10193	2.1
285.11313	2.8
297.11356	1.7
309.11279	1.7
343.11838	1.3
345.13245	2.5
357.13126	1.6
377.15851	1.7
497.30405	1.7
525.21021	2.8
557.29700	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	557.2509
Annotation	Iryantherin H
Peak:m/z	Relative Intensity
69.77547	0.9
99.37653	1.2
110.57753	1.0
115.85256	1.0
145.32153	1.1
148.11043	1.0
239.15881	1.0
327.68140	1.0
389.48569	1.2
557.25055	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	557.2724
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
50.49017	1.3
52.70209	1.3
67.05487	1.3
79.05485	2.0
81.07051	5.9
90.44047	1.5
91.05464	2.2
93.07052	3.0
95.04977	6.1
95.08631	2.4
96.14841	1.3
105.07037	5.5
107.08581	7.1
108.94776	1.4
111.28658	1.5
113.02124	11.7
117.07008	2.9
118.91261	1.5
119.08601	11.8
121.10136	2.6
131.08548	2.9
133.10110	19.8
135.08034	2.2
143.08507	1.9
145.10115	15.8
147.11667	5.9
159.11664	2.8
171.11720	1.7
173.13338	1.3
181.10190	2.0
209.13329	2.2
223.14886	2.8
232.21895	1.5
265.19366	2.0
272.40790	1.5
288.53583	1.7
347.19653	2.0
384.82437	1.5
427.89172	1.5
496.58887	1.7
497.25125	1.6
557.27240	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	557.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65965	0.5
81.07043	0.9
95.04947	0.8
95.08584	0.7
105.03378	5.1
105.07036	2.8
107.08601	1.0
111.08112	0.8
119.08572	1.4
132.89687	0.6
133.10115	2.7
135.08064	1.4
137.09610	11.2
141.05257	6.2
143.08511	1.0
149.09590	1.4
155.08562	5.0
157.10115	0.9
161.09637	2.3
169.06509	2.3
169.10103	3.6
171.11696	0.9
181.10130	1.1
182.10938	2.7
183.11693	1.3
192.09279	1.2
193.10196	3.9
195.11705	3.8
197.09549	1.1
197.13287	5.6
207.11745	1.5
209.09705	1.0
211.11124	5.3
213.12802	0.8
220.12508	1.6
225.12759	4.8
225.16383	3.4
235.14824	3.3
253.12260	2.9
253.15866	8.5
255.17479	1.5
271.17105	1.3
279.17325	1.2
297.18442	1.5
319.16730	4.8
340.76758	0.7
379.18802	17.3
439.20828	19.2
557.27209	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	557.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17998	1.9
73.70377	2.0
79.05471	2.0
79.96056	1.9
88.72169	1.8
95.08597	2.3
117.06962	2.8
119.08591	3.1
129.42288	2.1
131.08508	3.1
145.10097	11.5
149.09657	3.4
157.10196	2.4
192.01695	2.1
223.88574	2.1
239.14247	2.3
260.36725	2.0
266.16669	4.3
363.19293	3.6
385.84229	2.1
423.21530	3.8
557.27264	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91627	1.1
55.05508	12.9
55.41079	1.4
55.57327	1.4
57.03428	3.4
57.07067	1.8
60.43118	1.3
63.61027	1.3
65.67110	1.5
67.05505	25.8
69.07073	13.1
71.04996	1.6
73.60292	1.5
79.05495	20.5
81.03410	2.0
81.07056	29.0
83.04966	2.1
83.08602	10.0
84.47466	1.4
85.06525	2.0
91.05482	17.8
92.17748	2.5
92.18370	10.4
93.07050	27.9
95.04939	2.0
95.08598	24.1
97.06506	2.1
97.10133	1.5
105.07031	19.4
107.04948	2.6
107.08596	10.9
109.10155	12.0
117.06985	9.2
119.08565	26.5
121.10098	10.4
123.08041	2.5
123.11649	1.5
125.09600	2.6
128.49927	1.4
129.07002	7.8
131.08572	19.4
133.10118	17.0
135.11678	8.5
136.46294	1.5
141.06993	2.3
143.08511	11.4
145.10120	18.3
147.11690	21.4
149.13243	2.8
149.40811	1.4
155.08556	9.4
157.10103	11.7
159.11674	14.6
159.92918	1.5
161.13235	10.3
163.11230	2.1
169.10092	12.6
171.11665	17.5
173.13246	10.4
175.11273	1.7
175.14806	7.1
177.12708	1.7
181.10101	8.2
183.11726	10.2
185.13203	10.7
187.14865	2.2
195.11731	10.7
197.13188	14.3
199.14824	7.7
207.11671	3.1
209.13210	6.8
211.14818	8.9
213.16354	6.1
221.13260	2.1
223.14857	5.9
225.16304	1.9
232.75568	1.4
235.14728	1.8
237.16391	3.6
241.19649	3.6
245.42873	1.6
247.14784	1.8
259.20502	11.8
267.20752	2.1
275.17929	1.5
281.17490	3.3
283.20660	2.7
309.72845	1.5
321.22125	2.0
333.24179	2.3
335.23566	3.5
419.33032	2.9
429.31677	1.7
437.34125	3.4
447.32733	11.3
465.33884	11.8
483.34546	7.3
521.36420	5.2
529.38586	3.6
539.37268	100.0
544.82135	1.4
557.38336	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.1
57.03435	8.3
57.07068	1.5
59.97258	1.4
62.62265	2.0
67.05506	28.1
69.07069	12.0
79.05487	21.9
81.07063	27.7
83.04966	2.0
83.08606	8.3
85.06554	2.4
91.05463	18.7
93.07037	27.1
95.04957	3.1
95.08611	22.7
97.10155	2.7
97.26310	1.6
105.07026	20.2
107.04935	2.6
107.08585	15.8
109.10161	8.9
110.18176	1.7
117.06993	8.3
119.08575	23.0
121.10136	9.6
123.11705	1.6
129.06989	9.2
131.08572	15.6
133.10130	17.9
135.11711	6.4
143.08571	14.3
145.10104	19.0
147.11668	17.3
149.09683	2.0
149.13258	3.4
155.08551	6.6
157.10161	8.9
159.11644	14.6
161.13225	13.8
167.08578	2.5
169.10114	9.6
171.11644	20.5
173.13226	12.5
175.14771	3.0
178.88826	1.5
181.10083	3.5
183.11668	15.3
185.13272	12.3
187.14807	6.9
189.12747	1.7
195.11725	9.2
197.13293	9.3
199.14865	6.6
201.16278	2.0
202.26578	1.8
207.11832	1.8
207.13791	1.7
209.13268	9.5
211.14798	7.4
213.16335	7.1
221.13254	2.0
223.14786	7.6
225.16542	2.3
235.14769	2.3
237.16481	1.7
241.19537	6.9
245.87750	1.6
246.82349	1.6
259.20505	14.6
279.15976	2.2
281.17398	12.3
311.70749	1.7
314.30661	2.1
435.33041	1.8
447.32437	11.2
465.33878	11.0
483.34674	5.8
509.36340	2.0
521.36011	3.3
529.39093	3.7
539.37286	100.0
557.38354	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82855	1.3
55.05505	8.8
57.03445	3.6
61.37820	1.3
67.05512	20.6
69.07058	8.6
70.74287	1.5
70.74677	1.6
70.87818	1.5
71.04970	2.1
74.65763	1.5
79.05514	18.8
81.07061	28.4
83.08622	7.7
91.05470	21.5
92.18530	2.4
93.07044	29.6
95.04945	3.1
95.08613	20.1
97.06525	2.4
97.10140	5.6
99.08097	1.9
105.07038	21.8
107.04911	1.8
107.08596	15.5
107.43246	1.5
109.10165	7.6
111.08080	2.1
117.06982	6.1
119.08589	22.1
121.10106	11.3
123.08080	2.1
123.11726	2.5
129.07008	9.3
131.08531	18.7
133.10069	12.4
135.08031	2.6
135.11681	7.5
141.06975	2.7
143.08548	9.1
145.10139	22.0
147.08101	2.0
147.11674	19.2
149.13269	2.4
155.08600	5.6
157.10091	11.8
159.11673	18.6
161.13286	8.9
169.10162	13.8
171.11679	18.3
173.13223	13.2
175.14746	5.4
181.10045	5.3
183.11708	12.5
185.13266	9.5
187.14854	2.9
195.11665	8.6
197.13290	7.9
199.14804	6.4
207.13814	2.3
209.13255	8.7
211.14845	7.8
213.16302	3.6
215.17934	3.0
220.31036	1.6
223.14771	7.8
225.16449	2.4
237.16386	3.1
241.19521	7.6
259.20587	14.1
279.15945	7.2
281.17609	8.7
323.23706	1.7
333.23969	2.0
335.23633	2.7
429.31342	1.8
437.34384	2.7
447.32269	11.7
465.33609	10.7
483.34818	7.0
512.27820	1.7
521.36273	7.8
527.37347	1.7
529.38989	2.0
539.37317	100.0
557.38336	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62635	3.2
50.93836	3.2
55.05515	6.0
57.03429	3.6
61.71497	3.8
65.53709	3.8
67.05511	33.0
69.07050	9.2
79.05484	30.9
81.07072	36.8
83.08646	4.5
91.05481	17.3
93.07042	34.0
93.10863	3.8
95.08602	36.9
97.10191	4.5
105.07032	22.6
107.08592	15.5
109.10143	18.0
117.07035	6.1
119.08568	21.9
121.10139	16.1
123.08109	4.3
128.36212	3.6
129.07002	5.7
131.08577	15.7
133.10104	18.1
135.11694	15.0
143.08540	15.2
145.10153	29.3
147.11691	19.4
149.13226	5.0
152.36649	3.8
155.08528	9.0
157.10109	6.6
159.11736	18.6
161.13237	5.8
169.10101	17.4
171.11691	21.2
173.13217	4.6
175.14703	4.0
183.11609	14.4
185.13202	15.9
187.14851	4.3
197.13239	6.7
199.14885	7.3
209.13232	5.5
211.14812	5.6
216.60507	3.6
241.19684	5.0
259.20602	19.6
278.55209	3.8
281.17496	7.5
283.13022	3.6
333.23889	5.6
357.83136	4.0
400.54398	3.7
437.34079	4.7
437.55481	3.8
447.32623	14.1
454.96988	4.2
465.33627	7.5
483.34341	8.0
521.35919	5.1
539.37244	100.0
557.38495	67.5
578.99609	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71809	1.2
53.38561	1.4
55.05524	13.8
55.29759	1.6
57.03438	2.3
63.66804	1.4
67.05507	26.2
69.07079	13.1
70.88672	1.6
71.04999	1.9
76.41582	1.7
77.83276	1.7
79.05492	20.2
81.03419	2.9
81.07068	31.0
83.04968	3.3
83.08619	7.7
85.09224	1.8
91.05467	17.7
93.07040	28.1
95.04982	2.4
95.08597	20.0
97.06509	2.5
97.10160	4.2
105.07034	20.3
107.04923	2.1
107.08604	13.1
109.06527	2.2
109.10162	10.7
113.09906	1.5
117.07029	9.3
119.08589	20.5
121.10110	12.5
123.08073	2.1
125.09588	2.0
125.99600	1.7
129.07018	9.3
131.08537	16.9
133.10098	19.2
135.11676	9.1
139.67813	1.6
141.06949	2.5
143.08549	9.9
145.10147	15.6
147.11696	15.0
155.08594	8.0
157.10130	12.8
159.11676	14.7
161.13287	11.0
167.08534	1.6
169.10077	13.4
171.11647	15.6
173.13312	8.0
175.14804	2.3
181.10143	3.9
183.11768	11.6
185.13260	12.7
187.14848	3.3
195.11714	7.2
197.13322	9.8
199.14861	7.3
209.13322	4.2
211.14867	6.8
213.16489	3.8
223.14871	3.1
225.16483	2.6
239.18030	1.7
241.19530	2.8
259.20587	14.9
263.48792	1.7
281.17627	8.5
300.08344	1.9
333.24347	4.2
429.31458	1.9
437.34283	2.5
447.32565	12.0
465.33694	11.6
483.35040	5.8
521.35895	2.8
529.38721	3.9
539.37317	100.0
557.38403	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80991	2.7
56.10865	2.8
57.03438	3.7
69.03432	8.1
85.02910	26.4
91.05448	5.8
92.18491	3.1
92.76824	3.4
93.46066	4.0
105.07020	6.6
107.04951	8.0
119.04938	7.0
121.06517	5.5
127.03912	5.6
131.04900	5.8
133.02826	14.2
133.06490	27.2
135.08015	4.4
137.05981	94.6
147.04385	24.8
149.05975	24.0
151.07568	42.3
161.05974	66.4
161.09599	21.3
162.06810	13.5
163.07515	100.0
165.05426	5.8
165.09088	6.9
175.07593	14.1
177.05510	7.2
179.07033	25.7
181.08586	7.8
187.07622	3.5
189.09094	80.8
191.07042	13.8
203.07080	4.1
207.10170	71.0
219.10086	4.2
220.69238	3.6
227.10686	6.9
229.08701	4.3
255.10175	5.6
273.11160	6.5
284.15826	3.7
285.11255	12.9
287.12756	4.0
291.12335	23.7
309.13712	9.3
313.14081	5.2
331.15399	67.0
343.15610	25.0
398.93164	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	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43380	5.0
53.95190	4.1
70.99387	4.4
74.65053	4.2
85.02908	9.2
107.04946	24.9
109.78273	5.1
119.04960	19.0
121.11622	5.4
131.04897	20.9
135.07970	7.7
137.05991	100.0
147.04439	11.2
149.05980	11.4
151.07544	51.3
157.06491	5.9
161.05956	75.9
161.09587	5.9
163.07533	80.3
175.07532	10.4
177.08990	9.8
179.07036	7.3
181.08566	9.2
189.09119	84.7
190.27306	5.3
207.10184	63.3
219.10098	8.1
227.10649	10.2
287.12689	10.4
311.12793	33.8
313.14368	11.6
331.15359	95.3
343.15424	8.6
374.81485	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71951	1.3
52.49237	1.7
66.57465	1.4
67.05494	3.1
77.91953	1.4
78.57412	1.6
79.05479	1.7
81.07068	2.3
85.02895	1.5
88.53890	1.4
95.04956	3.8
97.06505	2.5
101.46552	1.5
105.35729	1.8
107.04935	2.1
109.06506	15.2
113.05961	2.9
121.06462	2.0
121.10181	1.8
123.04420	3.4
124.03926	3.9
125.05986	6.9
130.08272	1.6
131.08565	2.5
135.08052	2.7
137.05997	2.8
143.08556	3.4
147.08054	3.1
151.07474	4.0
157.10219	2.1
159.08066	6.2
163.07533	3.5
169.10149	2.5
171.11746	2.7
173.09590	3.2
175.07474	2.8
179.08553	1.9
183.07970	2.3
183.11725	2.0
185.09566	3.2
187.07475	3.1
189.09032	3.6
193.08643	1.6
195.11687	3.0
197.09576	3.0
197.13348	1.7
199.11198	6.1
201.09071	3.8
204.98145	1.7
209.09586	2.1
209.13206	2.6
211.11200	3.9
213.12636	1.8
215.06831	1.7
215.10716	3.1
219.11836	2.2
223.11125	6.8
225.12692	3.7
227.10773	3.5
227.14246	3.4
229.08598	2.5
231.10063	1.7
237.08948	1.5
237.12723	7.4
239.10654	6.8
241.12379	4.7
243.13757	2.4
251.10678	1.9
251.14395	6.2
253.12148	3.4
255.13835	6.5
257.11652	6.4
261.12726	2.5
265.12204	3.4
267.14240	1.6
268.08029	2.1
269.11792	1.9
269.15283	3.2
271.13287	6.4
279.13678	9.1
280.26566	1.7
281.11710	6.7
281.15430	1.8
283.13251	12.6
297.14825	22.2
299.12827	3.8
301.14236	2.0
307.13263	3.7
315.16037	11.1
325.14355	26.0
343.15347	38.9
361.16327	13.3
385.16489	11.7
403.17523	9.6
421.18829	2.2
428.65625	1.7
445.18689	8.3
463.19476	12.8
486.25220	2.1
505.20609	2.2
517.31207	2.2
523.21771	3.4
558.25409	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
53.20290	0.6
55.05515	0.6
56.98197	0.5
57.09966	0.5
62.62577	0.5
68.97604	0.6
69.03428	10.7
69.06715	1.0
69.07068	12.1
71.04977	0.8
78.03468	4.8
81.03413	20.6
85.02896	10.0
88.17242	0.7
97.02891	6.4
99.04446	4.4
103.27871	0.7
106.02911	64.8
107.04967	2.9
109.02870	20.2
124.03941	100.0
127.03895	9.0
141.28500	0.7
164.36562	0.7
180.10182	1.6
196.63765	0.8
250.07051	20.2
268.08118	36.0
268.10907	1.4
286.09222	3.3
381.64417	0.8
406.06204	1.6
411.27771	0.7
412.12308	3.1
430.13422	38.5
448.14301	1.2
540.24200	2.9
558.11200	2.8
558.25250	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07737	1.8
63.58332	1.8
65.82681	2.0
69.48714	1.9
83.45394	2.5
85.02890	4.6
91.05453	4.3
96.02508	2.2
103.05479	2.8
105.07050	2.7
107.04955	11.7
119.04929	10.6
131.04942	21.3
133.02867	3.2
133.06482	4.3
135.08058	4.6
137.05977	81.8
145.06593	2.5
147.04373	11.7
149.05983	15.0
151.07536	52.3
157.06497	3.5
161.05954	70.9
161.09613	15.3
162.06696	3.8
163.07538	56.5
165.09186	3.3
174.06725	3.6
175.07556	11.8
179.07097	3.1
181.08603	9.2
187.07022	2.5
189.09087	81.8
207.10141	63.0
219.10066	5.0
227.10617	13.3
253.08554	5.3
253.12216	4.8
255.10237	16.2
265.12189	2.2
281.11505	2.7
285.11276	12.7
287.12738	19.5
297.11197	2.5
311.12759	15.0
313.14456	14.7
331.15387	100.0
343.15414	9.4
361.16452	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	558.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90284	0.4
55.17733	0.5
56.38421	0.4
61.02905	0.4
75.56134	0.5
85.02904	3.8
97.02878	0.6
128.06262	0.7
129.06952	0.7
141.06944	0.6
142.07767	0.8
143.08553	32.8
155.08531	1.1
156.09328	8.7
157.10114	13.0
171.11653	2.9
182.05441	0.5
198.27852	0.6
199.14804	100.0
218.77115	0.5
341.82724	0.5
558.28833	0.6
569.93207	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	558.306
Annotation	Hemsine A
Peak:m/z	Relative Intensity
53.20115	0.6
55.05506	0.5
56.21044	0.6
74.70502	0.7
79.05475	0.8
81.07066	3.1
91.05478	59.9
93.07032	2.7
95.08640	1.2
101.09619	0.6
103.05497	0.8
105.07019	4.2
107.08566	1.6
109.06541	1.1
109.97598	0.6
111.08084	1.1
119.04927	11.4
119.08553	1.6
121.06506	2.6
121.09354	0.7
121.10121	5.6
126.76189	0.8
129.06902	0.8
131.04915	1.0
131.08539	1.1
134.09654	15.5
135.08084	2.8
137.09616	2.8
145.10120	1.1
149.09599	1.5
151.11119	0.9
159.11624	0.8
160.83760	0.7
161.09579	0.8
163.07521	1.0
164.10602	0.8
171.11734	0.9
183.11816	0.8
197.13196	1.0
210.11240	100.0
213.83252	0.6
227.39551	0.6
276.01685	0.6
540.29254	1.1
558.30609	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45857	1.4
59.04982	7.1
69.03386	1.6
69.07055	2.9
69.76501	1.7
79.05499	2.0
81.03411	2.7
81.07062	3.7
85.02914	17.2
93.07027	7.4
95.08578	6.4
97.02899	4.1
105.07015	9.1
107.08585	9.5
109.02872	1.9
109.10135	18.5
111.08101	2.0
119.08583	10.3
121.10124	13.4
127.03877	4.1
129.06996	2.8
129.82867	1.8
131.04871	2.1
131.08542	6.6
133.10114	13.6
135.11671	2.3
137.06003	13.8
137.09592	13.3
141.06964	6.5
143.08556	17.3
145.10153	13.8
147.11682	10.9
149.09618	8.1
151.07588	2.8
151.11176	18.2
155.08533	10.6
157.10123	35.5
159.11688	11.4
163.07535	11.6
163.11125	3.1
165.12732	2.2
169.10104	12.2
171.11601	12.3
173.13232	7.5
175.11134	3.0
175.14778	2.1
181.10188	2.9
183.11684	33.7
185.13245	28.9
187.14873	3.1
189.12770	1.8
195.11786	2.7
197.13263	11.5
199.11211	1.8
199.14853	10.1
201.12732	9.8
203.14305	3.1
209.13234	12.2
211.14795	3.7
213.13020	1.9
213.16348	11.1
223.14787	8.8
225.16417	15.9
227.14310	32.2
227.17899	2.9
229.19516	11.0
237.16385	4.0
239.17877	13.4
240.18623	2.1
241.15875	3.3
255.17380	10.0
255.21185	3.8
257.18958	62.3
265.19461	13.8
271.20541	3.7
273.21979	2.2
283.20544	100.0
297.77225	1.8
301.21600	48.7
305.15332	1.8
319.22357	3.2
361.23672	3.7
379.24899	2.2
444.51260	1.8
493.22180	3.2
511.23050	2.1
546.48212	2.1
558.32703	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	558.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90619	22.0
56.80435	22.1
67.05515	26.1
67.83781	20.3
70.50893	22.4
76.26609	19.3
81.07091	35.8
82.84554	20.1
89.63225	23.5
123.67776	25.6
135.11720	31.3
183.28758	21.9
261.22272	25.7
353.26794	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	558.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27914	7.2
51.88887	7.1
60.05027	6.2
67.05502	98.3
69.07053	13.7
70.36444	6.6
75.89400	6.5
79.05483	45.2
79.55809	7.7
81.07061	100.0
81.46391	7.8
83.08590	6.7
91.05462	30.4
93.07030	56.0
95.08607	78.0
105.07012	16.3
107.08602	34.4
109.10126	41.1
119.08570	36.4
121.10126	47.7
123.11707	41.7
129.07018	8.5
131.08591	15.7
133.10141	41.0
135.11697	46.5
145.10121	18.4
147.11705	16.0
149.09622	8.5
149.13263	11.8
151.56082	7.4
159.11603	11.7
159.50475	8.4
187.14856	9.5
203.17899	9.0
269.22681	30.9
287.23697	15.4
379.28247	31.6
540.37817	17.5
549.67371	8.3
558.37280	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	559.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47518	0.9
51.13000	1.0
52.32661	0.7
60.51982	0.9
92.18420	2.0
119.01909	1.9
127.00658	1.1
143.01915	6.9
145.01675	1.2
145.03537	1.2
155.01874	4.6
157.01648	1.3
157.03479	1.0
161.02974	4.6
167.01897	5.4
169.03452	1.3
171.03285	4.5
173.01402	1.6
173.02963	5.6
179.01938	1.2
185.02934	12.5
187.02838	1.2
187.04512	3.8
189.04294	4.5
191.02356	1.2
197.02994	4.1
199.02722	1.4
215.04088	1.9
219.05176	1.2
223.06610	1.3
227.03929	5.5
229.03889	1.4
233.03331	1.5
235.06630	4.6
245.05072	34.3
247.04858	8.2
251.04231	1.5
253.07639	1.8
259.06546	1.0
263.06131	3.9
269.05676	1.4
270.43994	0.9
270.71075	1.0
275.06290	1.6
276.02774	1.1
277.02463	5.4
277.07697	100.0
289.07678	6.0
295.08755	21.4
301.07840	1.9
303.09439	1.7
305.07294	4.5
307.08923	2.2
337.09784	16.5
347.15756	1.1
364.11108	1.5
365.08798	8.3
367.10736	5.0
379.05881	1.4
397.06512	4.5
397.11765	1.3
559.11450	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	559.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47518	0.9
51.13000	1.0
52.32661	0.7
60.51982	0.9
92.18420	2.0
119.01909	1.9
127.00658	1.1
143.01915	6.9
145.01675	1.2
145.03537	1.2
155.01874	4.6
157.01648	1.3
157.03479	1.0
161.02974	4.6
167.01897	5.4
169.03452	1.3
171.03285	4.5
173.01402	1.6
173.02963	5.6
179.01938	1.2
185.02934	12.5
187.02838	1.2
187.04512	3.8
189.04294	4.5
191.02356	1.2
197.02994	4.1
199.02722	1.4
215.04088	1.9
219.05176	1.2
223.06610	1.3
227.03929	5.5
229.03889	1.4
233.03331	1.5
235.06630	4.6
245.05072	34.3
247.04858	8.2
251.04231	1.5
253.07639	1.8
259.06546	1.0
263.06131	3.9
269.05676	1.4
270.43994	0.9
270.71075	1.0
275.06290	1.6
276.02774	1.1
277.02463	5.4
277.07697	100.0
289.07678	6.0
295.08755	21.4
301.07840	1.9
303.09439	1.7
305.07294	4.5
307.08923	2.2
337.09784	16.5
347.15756	1.1
364.11108	1.5
365.08798	8.3
367.10736	5.0
379.05881	1.4
397.06512	4.5
397.11765	1.3
559.11450	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	559.2152
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
54.26831	0.5
60.99461	0.6
69.35669	0.5
79.01603	3.0
86.76767	0.6
92.17913	0.9
95.01093	1.5
107.04950	5.5
119.04958	2.5
123.04404	3.7
137.06013	0.9
141.05254	5.3
147.04422	1.5
151.03879	0.7
153.97797	0.7
159.04170	2.7
163.03888	0.9
165.05530	1.2
173.22157	0.6
178.84991	0.7
185.04196	1.3
191.86017	0.8
204.07626	4.4
206.63745	0.7
214.05920	1.0
231.06544	1.4
237.17934	0.6
245.08072	3.7
273.07703	0.9
275.08884	3.5
285.07492	3.8
292.94400	0.6
303.08386	16.3
321.09390	1.2
358.36859	0.7
361.12494	2.2
377.11053	1.4
423.10931	1.1
559.21497	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	559.2515
Annotation	Kadangustin F
Peak:m/z	Relative Intensity
52.20230	0.7
53.47444	0.7
53.56698	0.7
60.47381	0.8
62.69391	0.7
66.22558	0.6
79.05501	0.8
83.79312	0.9
91.05470	1.7
93.07025	3.1
95.08626	2.0
100.52763	0.8
105.07029	2.9
106.03912	0.8
107.08584	3.1
117.07014	1.6
119.08565	5.5
121.10101	1.8
131.08546	2.0
133.06554	1.1
133.10153	0.9
135.08109	1.4
140.95302	0.8
143.08568	1.8
145.10106	3.4
147.08031	1.1
155.08487	1.5
157.10092	4.2
159.08023	1.3
161.09659	1.0
167.08568	1.5
169.10103	3.5
170.08846	0.9
171.11630	1.5
173.09587	0.9
173.13258	1.1
180.09174	0.8
181.10115	4.4
183.11649	1.0
193.10147	1.2
195.11700	4.2
201.12694	1.2
207.11629	1.8
209.13254	1.6
213.12772	0.8
221.13306	1.3
235.14793	1.3
246.14047	1.8
253.15826	0.9
261.16339	3.2
279.17517	1.8
294.39764	0.9
297.18506	1.9
379.18652	7.5
397.20200	4.1
439.20804	18.7
457.22006	0.9
499.23111	11.1
559.25031	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	559.252
Annotation	Kadangustin F
Peak:m/z	Relative Intensity
51.11499	1.1
79.05484	1.8
81.07043	1.6
91.32295	1.5
93.07014	2.4
95.08596	2.0
105.07030	3.5
107.04934	2.9
107.08575	3.1
119.04937	2.5
119.08579	2.7
123.04507	1.6
131.08569	2.8
133.06491	1.7
133.10146	3.3
137.09645	2.4
143.08514	1.9
145.10188	1.7
147.08081	2.3
149.09622	2.2
157.04710	37.9
157.10127	2.7
159.08009	3.0
161.09596	2.9
171.11639	1.9
173.09511	1.5
183.11626	3.3
195.11653	2.0
209.13216	3.3
379.18896	6.8
439.20319	2.4
499.23331	8.3
559.26050	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	559.2879
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
51.21232	0.7
57.34393	0.7
62.34156	0.7
65.32019	0.7
65.61848	0.9
67.05506	0.9
79.05504	1.3
81.07050	1.3
83.01126	1.3
91.05524	0.8
93.07060	0.8
95.04955	1.0
95.08621	1.4
105.07021	4.2
107.04948	0.9
107.08635	2.6
109.10151	3.0
119.08598	3.0
119.68459	0.8
121.10212	1.2
123.04375	1.2
124.72481	0.8
131.08604	1.8
133.10136	3.4
135.08043	1.1
137.09631	1.5
141.05255	1.5
143.08545	3.5
145.10085	2.6
147.08038	1.8
155.08646	1.0
157.04713	50.8
157.10143	1.2
159.11674	1.4
161.09584	3.4
165.87695	0.8
169.10298	1.3
171.11728	1.3
180.09389	0.9
181.10153	1.3
183.11687	1.1
185.09593	0.9
195.11720	1.1
197.13252	1.0
207.11769	0.8
209.13225	1.1
245.07939	0.9
248.76250	0.9
251.18001	0.9
305.18671	3.2
365.20966	7.5
379.18619	0.9
383.21863	1.1
406.83551	0.9
439.24792	1.9
457.25763	1.7
499.22437	1.6
499.26981	1.1
505.26126	0.9
559.29303	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	559.2882
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
53.87879	0.5
57.07060	0.5
64.60219	0.6
81.07059	0.7
83.04929	0.6
91.05460	2.4
93.07048	1.6
95.04977	0.8
95.08625	0.8
105.07031	1.4
107.04948	3.4
107.08586	3.3
119.04931	1.0
119.08624	1.4
119.70981	0.7
121.06496	0.7
121.10194	1.0
123.04380	1.0
125.09663	2.2
131.08542	2.5
133.10109	1.2
141.05228	3.9
143.08527	0.8
145.10104	0.9
147.11671	1.4
149.09593	1.0
157.10178	0.8
159.08133	0.9
159.11659	1.0
165.05573	0.7
171.11784	0.8
183.11754	0.9
195.11690	0.9
245.08139	0.9
339.19220	3.5
381.20441	11.8
399.21246	6.2
423.10992	0.8
439.24390	3.4
499.26682	24.7
559.28796	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	559.288
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
63.94355	0.8
67.05522	0.8
71.05018	0.9
78.99700	0.7
91.05504	2.1
92.18512	1.7
93.07082	5.4
95.04966	7.0
95.08633	1.8
105.07047	1.9
107.08584	8.6
109.10214	3.6
117.07051	1.1
119.05027	0.9
119.08585	8.4
121.10220	3.9
123.04499	1.0
133.10123	22.9
135.08064	9.1
135.11736	1.6
145.10202	5.1
147.11627	6.0
157.04712	40.8
159.11780	1.0
163.11250	1.5
169.10007	0.9
173.13310	1.0
365.20920	1.3
439.21118	5.2
508.20972	1.1
559.29022	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	559.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52614	0.6
57.87595	0.5
62.71935	0.5
64.44990	0.5
65.46073	0.5
67.05500	1.2
73.85555	0.5
81.07068	2.2
90.44547	0.5
91.05482	1.0
91.16072	0.6
94.84844	0.5
95.08604	2.4
103.86063	0.6
105.07004	0.7
111.00806	0.5
117.06974	0.6
117.53137	0.5
121.10135	0.6
123.04422	100.0
135.04352	0.6
139.03900	72.1
147.04361	3.5
151.03876	9.3
163.03989	1.4
190.67668	0.6
251.19958	1.3
273.04599	0.8
273.07553	22.7
297.42484	0.6
499.22992	0.7
529.28040	2.8
541.27856	1.2
559.28906	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	559.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27332	0.3
58.32359	0.4
66.62292	0.4
67.05502	1.1
81.07068	0.6
87.41179	0.5
93.07058	0.6
95.08589	1.0
107.08570	0.5
109.10139	0.9
111.04435	0.8
121.10118	0.5
123.04423	100.0
139.03900	68.0
139.05017	1.0
147.04416	3.1
151.03922	7.6
163.03954	0.9
163.07518	0.5
189.05522	1.0
219.98787	0.4
251.20090	0.8
255.06644	0.5
273.07559	20.9
374.18594	0.8
390.21866	0.7
392.19806	1.1
495.16360	0.6
529.28027	3.9
541.27557	0.9
559.29114	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	559.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55877	0.9
60.89321	0.9
61.66883	1.0
63.25172	1.0
64.04707	1.0
67.05500	1.2
69.07034	1.3
69.87910	0.9
78.64863	1.1
80.22974	1.1
81.07051	1.1
105.07020	1.3
107.07838	1.0
107.08562	1.2
109.10149	8.3
119.08546	8.6
127.11169	5.2
133.10133	1.7
145.10121	1.6
153.30817	1.0
157.02887	1.1
161.13258	1.3
173.13193	2.2
187.13271	2.0
191.49379	1.1
217.15814	1.8
218.16591	2.1
236.17754	1.2
237.09085	1.9
240.07747	1.2
255.10176	1.5
263.53595	1.0
265.08719	2.1
267.10291	1.5
267.13675	1.4
268.07602	1.1
268.11200	1.5
279.13715	1.7
281.08035	2.6
282.08914	5.9
282.12268	1.6
283.09686	6.4
295.13358	5.0
296.10437	23.6
296.13565	2.1
307.13275	6.7
309.11243	12.9
323.12811	2.2
324.13556	42.7
325.14331	100.0
390.19006	1.3
451.71335	1.2
489.98895	1.1
559.30579	41.0
588.05682	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	559.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90868	1.4
55.05523	1.7
56.05566	1.4
61.05731	1.4
67.05508	26.1
69.07070	3.2
74.89841	1.5
77.13491	1.3
79.05464	2.5
81.07059	12.1
83.04946	2.6
83.08617	2.7
91.05470	6.5
92.18501	1.4
93.07043	3.5
105.07020	6.3
107.08589	18.8
109.06548	1.6
109.10150	100.0
118.27795	1.5
123.11662	5.6
127.11189	57.1
133.10132	26.9
136.02994	1.5
142.17163	1.4
151.11168	17.0
167.80754	1.6
169.12204	16.6
187.13312	23.9
221.62540	1.6
337.23468	2.3
355.25006	2.2
413.42371	1.5
461.89896	1.9
501.55582	1.5
559.38727	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24302	1.7
53.03948	2.1
55.01880	2.2
55.05519	16.7
57.03437	14.2
67.05178	2.8
67.05508	67.6
69.07067	16.4
74.55046	1.8
79.05494	71.2
81.03390	2.7
81.07059	72.3
83.04972	11.1
83.08600	11.9
85.06542	1.9
91.05471	49.8
92.17863	3.4
92.18415	4.1
93.07039	82.7
93.69122	1.9
95.04970	15.1
95.08592	48.8
97.06501	2.5
97.10160	2.8
105.07026	34.9
107.04967	2.5
107.08600	32.6
109.06535	4.7
109.10165	18.5
111.08028	2.1
117.06997	12.2
119.08568	28.0
121.06523	2.1
121.10127	17.9
123.08085	2.8
123.11647	3.2
129.06985	16.4
131.08528	10.3
133.10112	16.7
135.11684	14.5
143.08556	10.2
145.10130	15.1
147.11667	30.9
149.13251	8.0
157.10159	2.3
159.11697	8.2
161.13234	13.0
163.11186	2.3
169.10115	2.7
171.11603	18.6
173.13252	3.7
175.18066	1.9
185.13237	1.9
186.92339	2.1
187.14760	2.8
189.12759	3.6
207.13824	10.5
243.21274	2.2
256.43704	1.9
261.22101	7.5
279.16235	2.2
281.17438	72.6
335.25812	25.8
449.34113	2.7
541.38916	100.0
559.39862	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	2.9
54.73722	1.9
55.05523	16.1
57.03439	5.7
63.01641	1.9
67.05515	55.0
68.01617	2.1
69.07066	18.2
73.02531	2.4
74.07013	2.4
79.05043	3.7
79.05492	76.1
81.03423	3.0
81.07056	56.0
83.04964	11.1
83.08616	5.0
89.32690	2.5
91.05481	32.1
93.07046	80.2
95.04948	13.3
95.08609	40.2
97.06516	4.2
97.10195	2.8
105.07043	28.3
107.04896	2.7
107.08593	29.3
109.10129	15.9
117.06998	5.7
119.08592	26.4
121.10129	15.8
129.07008	11.8
131.08585	11.8
133.10114	11.2
133.61301	2.3
135.11707	10.6
137.09628	2.7
137.13275	3.4
143.08571	4.3
145.10133	10.9
147.11699	28.3
149.13214	3.4
159.11671	3.1
161.13254	9.2
171.11679	15.0
173.13208	2.6
189.12790	3.4
207.13753	18.3
261.22092	5.0
281.17526	43.6
335.25836	38.3
541.38806	100.0
559.39996	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.0
57.03441	6.2
58.65498	5.5
65.37051	6.6
67.05494	58.5
69.07071	10.0
73.10658	6.3
79.05501	52.6
81.07050	45.4
91.05483	25.7
93.07024	63.8
95.04919	9.2
95.08591	45.5
95.78103	6.0
103.64778	7.3
105.07010	38.0
107.08591	27.6
109.10135	11.2
112.38539	7.0
119.08562	26.1
121.10133	9.9
121.11538	6.4
129.06960	9.3
131.08612	7.0
133.10117	13.1
135.11649	7.8
145.10158	10.2
147.11658	14.1
149.13272	7.0
161.13237	9.0
183.47447	6.8
187.16086	7.5
206.81960	7.5
281.17422	48.1
335.25745	7.0
541.38751	100.0
559.24677	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	27.6
57.07077	8.8
67.05493	26.0
69.07068	59.5
75.25845	3.4
79.05492	7.1
81.07067	56.2
83.08624	42.7
86.08646	4.4
89.09888	4.3
91.05440	5.6
93.07072	13.0
95.08598	45.3
97.06489	7.0
97.10168	48.6
99.08096	7.5
105.07020	14.9
107.08563	21.5
109.10161	34.4
111.11696	26.5
119.08569	16.4
121.10140	32.9
123.11700	15.2
125.13301	4.5
133.10129	21.4
135.11726	32.2
139.11217	7.2
147.11681	19.2
149.13290	4.0
151.11159	16.4
153.12752	5.6
161.13202	18.1
175.14780	6.3
179.14330	6.8
206.55432	4.3
217.19499	31.5
235.20596	33.1
253.08215	4.1
253.21545	97.7
265.54651	4.2
271.22626	100.0
289.23746	4.8
302.74448	4.2
541.44574	4.2
559.36578	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	560.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75468	2.1
67.05490	5.1
69.03421	3.7
71.01363	2.9
79.05487	10.1
91.05465	18.5
93.07034	25.8
95.04948	16.9
95.08614	5.6
105.03371	3.7
105.07033	16.9
107.04958	18.0
107.08569	4.0
109.06524	4.3
109.10155	4.1
111.08132	2.3
117.06994	2.8
119.04927	3.6
119.08575	75.8
120.72944	2.4
121.06515	43.8
121.10147	26.9
123.04412	18.5
123.08016	3.3
125.05943	4.0
131.08542	4.3
132.09383	2.5
133.06471	42.2
133.10121	4.5
135.08080	2.4
137.05956	4.7
137.09634	13.2
143.08554	3.5
145.10124	3.5
147.04404	2.9
147.08044	100.0
148.08813	16.3
149.05974	49.0
149.09592	20.6
151.03932	4.3
151.07591	5.0
157.10159	2.9
159.08035	15.6
161.09656	3.6
163.07507	3.5
165.05443	3.1
165.09096	21.9
167.06999	9.8
175.07559	4.3
177.05466	19.2
177.09105	13.3
181.10179	3.0
185.09650	5.2
193.08577	8.8
193.10159	4.6
199.11244	3.0
203.10663	4.0
205.04726	3.6
209.13223	4.7
213.09160	3.0
225.12715	3.3
227.10838	4.7
235.10989	2.9
236.11949	3.2
237.12836	3.5
239.10753	4.0
251.14371	4.7
253.12224	4.9
267.10016	3.0
269.15387	5.4
279.13596	4.7
288.05920	3.0
295.09708	14.8
297.14789	16.4
299.12653	2.5
307.13330	4.8
310.12097	4.8
315.15958	5.2
325.14285	64.5
343.15350	57.3
357.42661	2.8
361.16519	4.9
385.16299	29.2
403.17511	13.5
421.18555	11.9
438.20966	2.9
440.10413	4.7
543.22675	3.0
560.24640	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.0
57.07079	12.8
65.64116	4.6
67.05511	60.0
69.07058	21.6
71.08607	6.2
79.05486	23.0
81.07061	70.1
83.08618	12.7
85.06529	6.5
91.03971	6.5
91.05463	23.8
93.07043	40.5
95.08594	80.0
97.06524	8.7
97.10179	10.3
105.07024	22.2
107.08587	29.4
108.02884	6.4
109.10146	29.1
119.08564	28.8
121.10140	63.3
123.11651	10.8
131.08556	35.3
133.10117	30.3
135.11688	36.2
145.10069	35.4
147.11676	8.0
149.13310	7.1
159.11714	12.4
161.13240	12.3
163.14859	6.8
173.13235	28.5
175.14861	8.5
187.14888	21.2
189.16498	5.2
191.17871	8.9
205.19435	10.0
271.24216	86.8
278.24670	6.0
289.25223	100.0
363.28958	31.0
381.29965	22.7
467.59720	7.2
525.33887	7.1
560.30737	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	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85997	12.5
53.80122	11.9
53.82074	11.3
59.61065	15.4
80.82449	15.0
81.07065	17.3
93.07030	15.6
95.08598	20.5
102.06904	14.9
126.20526	18.2
206.67050	17.9
238.52544	14.6
242.36496	17.7
261.22110	20.6
294.07095	19.7
335.25851	20.1
347.17526	16.9
353.26855	57.2
407.22775	15.8
560.37488	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	21.5
81.07061	33.9
83.08616	17.3
95.08607	27.1
99.84512	15.7
100.11237	19.4
109.10149	19.1
110.80761	14.1
131.60443	16.2
190.18311	13.8
198.08922	26.7
225.66699	15.5
245.22667	61.1
263.23709	100.0
308.51160	17.8
337.27444	69.4
337.31116	15.2
355.28427	18.3
489.96243	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	561.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.3
57.21115	0.6
58.97325	0.6
61.14180	0.6
62.19058	0.6
67.17323	0.6
70.89079	0.6
88.29282	0.6
98.97577	1.3
100.99126	2.4
105.65693	0.7
110.97581	2.5
128.98592	1.3
146.99631	1.4
158.99597	1.4
161.01286	0.7
163.25388	0.8
172.97610	3.4
173.01132	1.1
190.98654	3.9
201.00719	1.6
208.99710	1.6
233.03242	14.5
233.05241	0.9
243.01845	0.8
251.04364	100.0
253.07806	1.0
261.02866	0.9
269.05423	98.7
279.03873	0.9
287.06500	8.6
293.05408	0.8
305.05490	8.4
311.06384	3.0
323.06403	10.4
349.04391	17.1
349.08337	1.2
367.05447	80.4
367.09595	2.7
385.06500	20.9
527.99664	0.7
532.33612	0.7
543.11462	0.8
561.14545	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	561.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47996	2.2
73.76759	2.2
107.04953	100.0
119.04932	75.5
123.04415	43.0
125.02304	4.7
135.04416	5.7
139.03928	12.1
141.05476	11.0
145.06502	3.7
147.04408	86.6
148.47258	2.5
149.05927	3.7
151.03908	15.4
153.05447	4.2
161.05916	5.9
163.03899	75.9
165.05431	12.0
171.04393	3.2
179.03387	19.1
181.04962	28.7
181.06392	4.8
187.03912	3.3
189.05540	3.8
191.03404	6.0
201.05444	3.6
203.03407	10.9
205.05035	17.3
208.29039	2.3
213.09091	5.5
219.06502	2.6
219.56435	2.4
227.07091	6.1
229.04984	4.4
229.08699	2.9
231.06567	5.8
233.04430	3.2
239.06993	3.2
241.05025	2.4
241.08582	23.7
243.06392	10.0
245.04317	4.6
245.08130	29.0
247.05974	51.6
255.06493	9.6
257.04425	3.6
257.08118	6.0
259.05939	17.8
259.09589	4.5
263.77078	2.6
267.06561	15.1
269.04538	3.9
269.08090	20.1
271.05930	32.3
273.07632	3.7
283.06033	13.6
285.07523	19.6
287.05627	12.9
287.09067	72.5
289.07056	15.7
295.06195	2.5
299.05481	4.0
301.07117	28.0
313.07166	4.3
322.11426	2.7
407.11307	19.4
409.09207	25.2
411.10669	12.5
421.13116	3.4
425.12274	26.5
460.02655	2.5
561.13123	35.6
561.31982	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	561.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
58.57404	1.4
67.05511	2.1
69.03421	2.9
69.44337	1.5
69.76828	1.6
79.05478	2.4
81.07081	2.6
83.04926	2.0
85.02908	1.9
87.60114	1.7
91.05479	2.8
93.07021	7.7
94.84663	1.6
95.04951	11.4
95.08606	8.3
105.03396	100.0
105.04490	5.8
105.07049	14.0
107.04980	16.2
107.08588	9.8
109.06534	15.3
111.08073	3.1
117.07076	2.5
119.04886	2.6
119.08587	6.3
121.06510	6.8
121.10128	3.3
123.04391	2.5
123.08040	19.1
125.09621	2.3
131.08554	3.3
133.06491	8.5
133.10181	2.7
135.04387	2.4
135.08044	9.3
137.05954	3.6
137.09639	3.1
139.03931	3.0
139.43697	1.6
143.08536	2.2
145.06454	2.7
147.04420	6.9
147.08060	3.7
149.05992	7.2
149.09627	10.1
151.07535	19.4
153.09091	2.0
157.10150	2.8
159.07980	3.4
161.06032	2.3
161.09557	2.8
163.07603	3.0
169.10141	2.1
173.05986	2.6
175.07600	2.2
183.11664	2.0
184.91035	1.6
185.09579	3.7
189.09091	2.8
191.10634	1.8
193.10255	1.9
194.10832	1.7
195.11664	2.3
209.09721	2.4
209.11725	7.7
213.09241	2.7
218.10970	1.8
223.14668	2.2
239.10600	1.8
241.15863	2.9
251.14378	2.2
253.12234	2.2
269.15308	3.6
271.05771	2.0
275.08090	2.1
279.13721	4.0
287.09082	2.0
297.14859	7.4
301.07144	2.4
301.10510	2.1
315.15884	6.3
325.14166	6.1
343.15335	13.0
355.14539	2.5
361.16452	3.9
373.15271	7.5
403.17224	1.9
407.11322	3.3
465.19128	3.0
561.23602	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	561.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.9
81.07046	3.2
91.05463	1.9
92.18509	1.6
109.06506	1.9
119.04994	2.0
119.08478	2.1
129.07109	2.4
131.08521	3.2
133.10094	2.6
142.16623	1.7
143.08551	1.9
145.10149	2.1
147.08058	2.0
165.06950	2.1
169.10147	1.9
175.11221	1.7
179.08577	3.9
183.08067	2.4
187.55948	1.5
192.09286	3.6
193.10127	8.3
193.76782	1.7
195.11699	7.7
196.12447	1.7
206.10841	9.2
211.14740	2.1
221.13206	27.6
239.14348	16.3
271.57788	1.8
321.14606	100.0
379.18805	2.2
381.16733	35.9
439.20901	3.8
443.18417	2.0
503.20377	25.8
561.24377	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69489	1.3
79.05492	3.1
79.33495	1.6
81.07058	2.2
90.74492	1.5
91.05484	7.8
95.08620	1.7
105.07005	3.2
107.04954	2.1
107.08569	3.3
109.10162	2.6
111.04424	2.8
119.04939	36.5
133.06493	7.4
133.10150	2.3
137.09659	2.4
147.04410	100.0
149.09618	2.5
153.05449	1.8
159.15410	1.6
189.05449	35.9
199.11163	2.0
224.59590	1.9
226.01065	1.8
267.17728	1.8
295.17157	1.8
313.17902	3.0
355.18890	3.8
373.20126	2.0
501.23819	2.0
561.24860	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	561.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55601	1.4
53.03965	1.7
59.30321	1.3
60.09075	1.5
61.64727	1.2
67.05491	2.9
71.65482	1.4
79.05502	20.0
80.44637	1.5
81.07044	1.6
83.08609	2.1
83.40062	1.6
89.52929	1.5
91.05488	14.5
92.17930	1.7
93.07030	7.2
95.04981	3.3
95.08590	8.7
105.07024	38.3
107.04961	8.8
107.08601	3.8
109.06487	2.1
109.10210	2.4
111.04433	6.9
117.07018	2.0
119.04942	42.9
119.08585	3.8
121.06551	3.1
121.10149	3.5
123.08061	3.6
131.08575	2.5
133.06487	80.7
133.10139	3.2
135.04390	2.1
135.08078	5.6
137.09593	3.5
143.08577	6.8
145.10080	5.4
147.04407	100.0
147.08035	3.3
149.09605	8.8
151.11171	3.0
153.05457	12.0
155.08533	3.5
155.29109	1.8
157.10123	2.9
159.07971	2.1
159.11699	3.4
160.61273	1.4
161.09583	2.7
163.11185	1.7
169.10164	2.5
171.08047	3.1
171.11598	2.5
173.09633	3.3
173.13306	1.6
183.11627	2.3
187.11116	2.4
189.03757	3.5
189.05464	97.6
189.12740	1.7
193.10085	2.1
197.13283	3.4
199.11226	2.2
201.58327	1.5
207.11655	2.5
208.08749	1.6
211.11174	2.6
214.85916	1.4
223.11201	1.6
249.16396	1.5
262.13483	1.6
267.17459	6.5
277.15915	1.7
295.16876	8.5
313.17944	28.4
327.42868	1.6
331.18826	2.6
331.90604	1.5
355.19034	32.6
367.18768	2.3
373.20111	9.0
501.22427	8.7
561.25006	23.8
561.33704	2.4
561.36566	1.9
586.85449	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	561.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32682	1.9
62.44138	2.1
64.49881	1.7
69.03428	7.9
72.24876	1.9
81.03400	13.3
81.07060	16.0
85.02925	2.3
97.02837	2.8
105.07035	7.3
109.02865	20.0
109.06532	30.9
119.08576	7.5
121.06546	2.6
127.03893	3.1
133.06477	33.3
133.10123	3.4
133.62027	1.8
147.08080	9.7
147.11632	16.9
159.11629	2.2
161.05965	94.8
161.13289	11.5
171.11658	11.5
174.10452	3.4
175.11162	45.0
189.12727	48.9
199.11128	2.7
202.09894	7.9
205.68462	2.0
217.12221	100.0
235.13361	19.9
361.16287	14.6
378.18039	2.1
379.17508	48.1
422.17004	8.0
543.25568	2.2
556.85699	2.0
561.27313	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	561.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13130	1.3
69.03419	7.5
79.05503	1.5
79.18246	1.5
81.03406	13.9
81.07042	11.4
83.04969	3.7
85.02860	3.4
87.67295	1.8
97.02893	2.4
105.07020	11.3
107.04951	3.8
109.02872	17.0
109.06513	24.3
109.10071	1.6
114.56853	1.7
119.08567	6.5
119.78250	1.8
123.04426	8.1
123.43311	1.9
133.06499	26.5
133.10124	2.9
135.08099	1.9
138.38303	1.7
147.04465	1.9
147.08017	3.2
147.11670	16.5
157.10057	2.1
161.05971	76.7
161.09593	4.3
161.13269	12.8
171.11702	12.1
174.10396	3.9
175.07596	2.1
175.11174	29.4
189.12730	37.1
199.11150	3.0
202.09833	6.9
207.93813	1.7
213.79688	1.7
217.12228	100.0
217.14351	3.4
235.13345	8.9
361.16422	11.6
379.17526	39.7
561.29364	2.0
569.02551	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	561.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21766	3.1
60.37954	3.0
79.05473	4.4
91.05470	3.6
93.07079	4.4
95.08620	5.8
105.07026	14.2
107.08569	8.7
109.06548	7.4
117.06966	5.4
119.08573	20.4
121.10155	5.4
131.08553	13.7
133.10107	21.4
143.08537	19.4
144.15646	3.7
145.10132	15.1
155.08549	17.6
157.10094	8.9
159.08025	4.2
159.11665	4.9
163.11198	3.7
167.08542	4.6
169.10117	21.7
171.11629	3.8
173.09648	4.4
173.13211	4.1
179.08600	5.3
181.10136	28.5
183.11699	16.8
187.11150	5.9
192.09332	5.1
193.10201	14.7
194.10994	6.2
195.11719	32.3
197.09666	5.1
197.13185	7.0
199.11252	5.7
199.57391	4.4
204.09280	4.3
205.10205	8.2
206.10960	13.3
207.11653	16.9
208.12407	6.6
209.09631	7.1
209.13234	27.1
211.14845	5.3
219.11665	24.6
220.12473	14.2
221.13196	27.2
222.14072	5.4
223.11095	5.3
231.11664	41.9
232.12460	4.1
233.13197	7.4
235.14771	17.5
236.15619	6.8
237.12730	15.5
237.16272	10.8
246.14026	69.0
249.16364	4.1
251.17943	23.1
261.16376	100.0
264.15125	5.6
279.17438	69.6
297.18478	22.0
321.18604	14.3
339.19528	15.3
357.20630	6.3
364.16525	4.1
399.21567	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	561.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	7.4
69.61227	6.2
79.05492	8.6
81.07076	10.9
91.05470	7.3
93.07044	11.6
95.04958	8.3
95.08622	12.1
105.07020	28.2
107.08604	24.4
109.10125	13.2
119.08561	22.8
121.10130	26.8
123.08119	7.4
131.08560	11.6
133.06508	7.2
133.10092	52.8
135.08051	36.8
143.08545	10.1
144.76326	5.9
145.10091	15.3
147.11719	10.9
155.08479	8.8
157.10107	27.9
157.80661	6.1
159.08012	9.4
161.09608	9.0
169.10152	21.8
171.11751	8.5
173.09718	7.2
179.08585	6.7
181.10020	6.9
183.11647	7.4
185.13206	7.8
193.10147	12.5
195.11778	43.4
197.09610	9.2
197.13206	11.3
199.11293	9.1
204.09361	9.3
206.10870	7.2
207.11765	27.6
209.13229	45.7
219.11591	11.9
220.12447	9.5
221.13287	31.2
222.14030	8.8
223.11266	8.8
223.14873	8.0
231.11713	44.6
233.13284	9.5
235.14903	26.9
236.15501	8.5
237.12689	24.5
237.16319	53.8
245.50783	7.2
246.13983	75.7
251.14546	6.1
251.18033	28.5
261.16360	91.8
264.14963	6.1
279.17456	100.0
281.19037	32.3
297.18549	33.9
321.18427	31.5
332.95078	7.0
339.19495	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	561.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05487	7.0
93.07018	8.6
95.04980	7.0
95.08591	6.2
95.63441	6.2
97.06519	10.1
105.07031	23.3
107.08610	8.8
109.10146	7.7
119.08559	33.7
121.10121	12.1
122.84562	6.5
131.08606	13.7
133.10121	13.3
135.08101	7.3
137.09619	6.9
139.03963	11.4
143.08560	37.4
155.08574	9.3
157.10185	10.9
159.08035	8.5
169.10109	13.2
171.11674	9.8
181.10104	15.3
183.11696	13.8
193.10165	7.5
194.10834	7.5
195.11639	41.0
205.10147	8.2
206.10815	10.3
207.11687	15.0
209.13277	32.0
219.11729	24.0
220.12372	14.2
221.13237	38.4
222.10364	6.5
231.11627	42.8
235.14807	22.2
236.15521	9.4
237.12746	6.6
237.16212	21.7
246.14047	37.8
251.18004	11.5
261.16379	74.1
264.15137	9.0
279.17410	100.0
297.18384	33.1
321.18567	11.9
326.06931	6.7
339.19592	10.8
357.20660	11.1
374.69455	6.7
398.73529	6.5
399.21439	8.4
459.63913	6.5
469.18872	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	561.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32846	0.3
67.05491	0.5
68.03901	0.4
69.07060	0.4
69.26190	0.4
91.84494	0.4
111.04484	0.5
123.04425	100.0
137.14958	0.5
137.95616	0.5
139.03900	75.5
147.04370	3.8
151.03903	7.3
163.03966	1.7
163.07550	0.6
165.05452	0.7
189.05534	0.6
245.72377	0.4
253.21649	0.8
255.06664	0.7
271.22726	0.6
273.07571	15.8
282.68842	0.4
291.08618	1.7
543.29498	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	561.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66787	3.3
52.67362	3.0
53.29473	2.8
56.06199	2.8
57.07051	3.2
62.96771	4.1
63.41831	3.6
67.05509	8.3
71.11271	3.2
73.92008	3.1
79.05489	13.1
81.03400	23.0
81.07059	15.5
83.08614	4.3
83.24134	3.2
88.28633	3.5
90.56313	3.0
91.05467	7.9
93.07033	38.0
95.04962	26.5
95.08600	7.1
105.07037	32.4
107.08591	42.3
109.10169	13.8
117.07015	5.1
117.21439	3.4
119.04916	6.5
119.08572	40.8
121.06502	3.3
121.10121	42.8
130.85913	3.6
131.08565	5.0
133.06459	19.8
133.10110	74.8
135.08070	100.0
135.11700	4.5
137.59123	4.2
143.08575	23.0
145.10117	20.2
147.11653	7.1
149.09653	4.9
157.10132	14.4
159.08051	5.6
159.11679	16.7
161.09592	56.0
163.11200	8.4
169.10132	15.5
171.11676	8.3
173.09555	5.3
173.13188	24.1
181.10182	5.4
183.11670	19.6
184.00325	3.4
185.09615	7.7
185.13202	4.3
187.11066	4.7
187.14914	5.8
195.11742	3.7
197.09555	6.2
197.13284	15.1
199.11197	15.9
199.14850	7.4
209.13225	4.8
211.11148	7.9
221.13251	7.5
223.14761	6.5
225.12630	13.0
239.14241	16.6
253.19316	7.1
263.17969	15.7
281.18994	89.0
299.20044	17.6
341.21051	5.6
512.31476	4.4
561.29993	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	561.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75658	3.1
55.05517	4.1
61.90220	2.9
67.05499	8.3
68.98404	3.0
69.02441	3.5
69.03420	5.8
79.05504	5.1
81.03407	21.9
81.07050	18.1
81.49117	3.8
83.08606	4.7
91.05473	6.7
93.07043	47.7
93.77707	4.3
95.04953	18.2
95.08612	25.9
105.06989	27.0
107.08580	32.8
108.04073	3.2
109.10137	16.3
117.07054	5.6
119.08579	42.1
121.10135	17.5
129.06985	6.1
131.08556	26.1
133.06454	6.4
133.10124	66.3
135.08066	52.0
135.11613	6.9
137.26901	3.4
141.07048	3.4
143.08521	21.7
145.06479	7.0
145.10130	50.6
147.11682	13.0
155.08493	5.2
157.10112	19.5
159.08035	4.4
159.11635	18.6
161.09607	64.5
161.13251	6.7
163.11150	14.9
167.08685	3.5
169.10112	6.6
171.11676	24.6
173.13260	7.7
181.10097	17.8
183.11725	7.9
185.13202	15.0
194.10907	5.7
195.11690	15.2
197.13264	6.6
199.14833	8.0
203.14546	4.2
208.12468	5.7
209.13275	26.5
221.13156	4.2
223.14790	31.3
227.14209	3.9
235.14871	6.1
237.16519	4.5
250.17043	4.9
265.19455	100.0
283.20532	47.5
324.13461	4.5
325.21680	44.0
343.22742	35.0
385.23471	8.0
403.24615	22.7
561.31903	3.6
563.51495	4.4
577.99896	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	562.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.7
58.70479	2.8
59.05003	3.2
61.37437	3.2
69.03423	41.2
81.03402	3.9
81.07037	5.2
85.02889	32.3
85.06542	64.9
87.04462	40.1
87.93972	3.1
95.08585	6.6
97.02895	73.0
99.04443	5.3
105.07025	5.3
109.02863	4.8
115.03923	54.9
119.08585	35.4
121.10188	4.0
127.07522	5.3
133.04948	30.4
133.06499	4.6
133.10132	28.6
137.05983	14.5
138.05476	4.5
145.05000	4.4
145.08536	4.3
145.10156	5.9
147.11670	4.4
150.07623	5.7
162.01283	4.0
165.09221	3.5
173.13194	6.0
187.14795	24.9
189.16374	17.9
204.08716	4.8
205.15855	23.3
215.14235	6.1
233.15410	17.5
251.16400	100.0
274.07764	3.5
289.12799	5.1
295.10175	5.1
350.45953	4.4
413.21902	4.5
472.78549	3.6
562.28851	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	562.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42642	5.5
58.17297	5.7
62.64768	5.9
101.65554	6.4
109.06504	7.0
124.19001	5.4
147.08072	10.7
159.08043	8.4
161.09634	7.4
169.10101	9.3
173.09624	8.2
185.09683	6.7
195.11794	8.3
199.11110	24.7
207.53438	5.9
209.09538	7.9
209.13286	6.9
211.11212	29.2
225.12743	37.8
237.12665	9.5
241.12213	24.4
244.81583	7.0
247.14864	7.7
253.12318	7.1
265.15933	10.8
271.13434	14.9
283.17059	6.4
289.14301	6.4
293.15369	11.2
311.16528	28.5
329.17441	40.3
349.16351	100.0
389.19412	49.4
407.80078	6.7
434.42136	6.7
441.43600	7.0
449.21698	27.2
509.23734	13.2
558.84253	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	562.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47097	14.4
53.40892	12.3
55.05512	16.2
55.86871	13.3
57.57951	17.1
62.86720	13.4
64.80470	15.0
67.05502	28.2
69.03424	24.5
75.68330	16.9
75.83018	13.9
79.05482	28.1
81.03432	26.4
81.07059	100.0
91.05486	17.6
93.07035	40.7
95.08588	69.9
105.07008	65.7
107.08583	27.5
109.10134	18.1
119.08604	65.8
121.10162	22.6
131.08598	17.6
133.10112	33.5
150.32480	16.0
159.11787	17.9
173.13229	19.5
188.12769	16.6
379.97971	21.0
387.25388	19.4
562.41455	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.155
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
51.53423	1.6
51.88683	1.7
55.92002	2.4
56.52661	1.8
68.99805	3.7
94.59496	2.3
107.04955	100.0
119.04930	54.2
121.02824	4.7
123.04424	60.5
127.03934	3.3
133.06447	3.0
139.03915	44.9
145.06509	12.8
147.04402	70.0
149.02361	5.3
151.03903	26.2
155.49141	2.4
161.05980	4.6
163.03926	9.6
165.05449	5.1
167.03413	16.3
171.04411	14.0
179.03401	24.2
181.96063	2.1
183.01807	2.4
185.05978	3.7
187.07532	2.5
189.05472	11.9
191.03415	22.5
191.69182	2.7
203.03368	18.1
205.04913	3.0
207.06616	2.8
213.05493	3.0
224.15862	2.7
227.07042	5.1
228.28183	2.5
229.04904	3.2
231.06514	53.4
233.04381	20.8
239.06996	3.3
243.06564	13.8
245.04471	26.5
245.08028	3.3
255.06474	16.7
257.04477	33.5
257.07022	3.1
257.08249	4.1
259.05847	2.6
267.06552	19.8
269.04352	4.8
273.07547	40.3
275.05533	22.3
285.07507	19.9
287.05515	49.3
291.08685	27.8
299.05630	3.9
393.09689	28.2
395.11349	2.9
409.09210	16.3
411.10712	24.6
427.10355	4.6
437.12524	3.7
542.79181	3.2
563.15314	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	563.1551
Annotation	Epiafzelechin-(4beta->8)-epicatechin
Peak:m/z	Relative Intensity
51.29882	2.1
57.61342	2.3
63.33977	2.3
63.39423	2.1
92.18534	6.1
107.04957	100.0
119.04945	55.2
120.91335	2.5
123.04416	53.0
127.03904	21.5
135.04398	4.1
139.03905	59.0
145.06459	13.4
147.04390	64.5
149.02341	5.8
151.03841	21.1
161.05959	13.4
163.03891	12.2
165.05524	3.0
167.03363	18.0
169.04636	2.4
171.04417	17.2
179.03384	19.1
185.06001	13.2
187.07562	5.6
189.05452	20.4
191.03416	17.8
199.07582	4.2
203.03404	10.9
207.06613	3.2
213.05554	3.4
214.28590	2.9
227.07013	6.0
229.04868	3.1
231.06464	40.1
233.04416	11.9
243.06551	6.2
245.04379	14.9
245.08028	4.9
255.06528	15.3
257.04471	24.5
259.05930	3.8
267.06543	12.2
269.04321	5.5
273.07495	60.8
275.05469	12.8
285.07605	16.1
287.05420	36.4
290.65479	2.6
291.08600	37.0
299.05469	4.4
333.09897	3.1
392.40701	2.5
393.09726	17.8
409.09229	11.4
411.10730	29.4
427.10007	14.3
563.15033	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	563.155
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
50.05144	1.4
61.28389	1.2
68.99808	1.9
81.68383	1.7
107.04956	100.0
110.05713	1.4
114.55029	1.6
119.04939	54.6
120.10310	1.4
121.02856	2.5
123.04427	21.5
127.03918	8.0
133.06465	3.1
139.03891	36.3
145.06474	13.2
147.04411	53.7
149.02341	6.9
151.03912	14.7
161.05975	6.2
163.03949	7.1
165.05458	3.1
167.03400	18.8
171.04417	9.6
177.05434	2.7
179.03407	10.1
185.06029	6.1
187.07536	3.1
189.05446	16.6
191.03326	11.4
203.03444	7.8
213.05501	2.9
227.07037	7.5
231.06499	19.3
233.04405	10.2
239.07027	1.8
243.06590	6.9
245.04390	10.2
245.07985	2.1
255.06546	12.9
257.04453	16.4
259.06104	1.7
267.06595	3.8
269.04532	7.2
273.07574	46.6
275.05579	10.9
281.08154	2.1
285.07507	12.4
287.05508	30.5
291.08609	23.9
299.05692	3.2
303.08649	1.9
393.09705	21.3
395.10938	2.4
409.09235	8.1
411.10858	14.1
419.11032	2.3
427.10251	8.4
433.99329	2.2
563.15515	10.1
563.23254	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	563.155
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
85.02864	2.3
107.04953	100.0
109.02957	1.9
111.00806	2.8
119.04943	58.6
121.02845	4.7
123.04416	41.8
127.03926	3.4
139.03923	38.4
145.06506	14.9
147.03282	4.2
147.04407	82.2
149.02327	9.5
151.03893	29.8
158.99747	2.1
161.06003	3.0
163.03889	8.4
165.05412	7.9
167.03387	19.4
171.04388	13.2
179.03397	23.2
185.05927	3.6
187.07526	4.4
189.05475	14.5
191.03375	26.3
194.15022	2.2
203.03355	16.7
207.06578	3.3
213.05441	8.1
215.07016	3.7
227.07082	3.4
229.04900	4.1
231.06532	50.0
233.04419	17.0
243.06540	17.5
245.04378	23.9
245.08165	3.2
251.05396	2.1
255.06502	17.4
257.04465	31.8
259.06088	4.1
267.06616	17.8
269.04523	3.9
271.06183	3.5
273.07626	39.3
275.05521	16.3
285.07565	27.4
287.05515	48.6
291.08585	25.0
299.05469	10.2
303.08774	4.1
311.55054	1.9
348.51160	2.1
393.09647	32.3
393.14807	9.7
395.11411	2.5
409.09229	14.8
411.10803	30.4
421.13181	3.2
423.10583	2.9
427.10263	11.1
437.12225	2.3
563.15179	13.1
563.23035	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1548
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
52.27644	0.7
54.86888	0.8
55.01872	1.3
61.61755	0.9
68.99779	1.4
80.35241	1.0
82.08920	0.9
91.05499	1.6
95.04960	1.3
107.04952	100.0
111.00801	1.5
119.04064	2.0
119.04935	59.6
121.02844	4.5
123.04426	25.9
127.03938	6.7
133.06494	4.4
135.04411	1.0
139.03908	38.1
145.06483	16.7
147.04401	65.2
149.02351	8.3
149.03418	1.1
151.03914	17.2
157.06544	1.7
161.05963	7.4
163.03914	5.9
165.05475	5.2
167.03383	27.0
167.04771	1.5
171.04341	12.6
177.05409	1.5
179.03389	12.1
180.01178	1.0
185.05966	5.4
187.03923	1.2
187.07562	5.8
188.35553	0.9
189.05455	14.7
191.03391	17.7
193.04898	1.5
199.07545	4.9
203.03375	11.0
205.05058	1.0
207.06482	2.0
213.05473	6.1
215.07042	1.2
226.03261	0.9
227.06940	10.2
229.04904	3.4
231.06525	24.7
233.04420	12.9
239.07050	3.6
243.06560	13.0
245.04462	12.1
245.08093	2.1
251.05377	2.3
255.06517	14.0
257.04449	20.6
257.07422	1.1
257.08191	1.1
259.05914	1.8
267.06561	10.8
269.04446	4.5
271.06012	1.8
273.07578	35.9
275.05502	11.9
285.07550	10.5
287.05481	27.2
291.08621	18.6
299.05484	4.3
303.08676	1.5
391.07858	1.1
393.09637	21.6
395.11185	1.7
409.09268	5.2
411.10623	14.0
411.43253	1.2
427.10147	7.7
563.15582	8.3
563.23126	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	563.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91472	0.6
87.40661	0.6
107.04942	0.9
112.41433	0.6
127.03874	0.7
139.03857	1.3
159.04164	1.5
163.10995	0.7
185.04216	1.6
201.03758	1.1
204.07578	0.8
233.29565	0.7
252.73340	0.8
273.07825	0.9
283.76920	0.6
315.85562	0.6
337.12564	1.2
351.10367	0.8
365.11929	1.5
366.12808	4.8
508.08734	0.8
563.20917	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	563.2103
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
66.30586	0.6
68.94275	0.5
87.36088	0.7
118.71819	0.5
124.29137	0.6
147.04422	0.6
159.04152	4.4
189.05441	0.5
201.03680	0.7
233.07942	0.7
240.69878	0.8
306.09979	0.7
337.12634	3.0
351.10672	2.4
365.12070	2.8
366.12857	4.9
379.13617	0.7
505.16510	0.7
563.20978	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	563.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03283	0.8
75.49674	0.8
101.07005	1.1
101.28725	0.9
185.04355	1.0
198.30154	0.9
203.05302	2.1
231.55496	0.9
563.31885	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	563.3372
Annotation	12,34-Oxamanzamine E
Peak:m/z	Relative Intensity
54.56773	2.2
56.61414	2.1
61.29433	2.2
67.67507	2.2
69.55273	2.4
71.23061	2.3
79.76218	2.2
81.07057	5.5
83.08633	2.9
95.08592	3.5
105.07011	5.1
106.44590	2.8
107.08573	3.0
109.10151	16.8
113.29220	2.5
116.63372	2.3
119.08584	3.6
131.08572	12.9
135.08154	3.6
137.09615	5.9
143.08429	2.6
145.06487	3.8
145.10123	10.2
149.05986	4.5
151.11160	13.6
163.07495	22.0
179.07016	29.9
179.10608	13.5
187.14822	9.7
205.08412	3.2
215.14369	6.1
219.10135	3.1
233.15424	5.5
253.12299	3.3
289.14258	14.2
313.17975	3.8
331.19009	100.0
393.20752	3.8
527.51215	2.7
545.32532	37.0
560.79224	2.7
563.33582	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46832	1.3
51.14198	1.3
51.53738	1.2
55.05517	1.5
57.07067	2.6
58.06354	1.5
58.06609	32.8
59.06133	26.4
59.06914	2.1
60.59224	1.4
69.07066	2.4
79.05482	2.3
81.07051	12.5
83.08615	2.4
91.05489	3.2
93.07034	2.4
95.08607	17.9
97.10161	3.1
105.07043	11.8
107.08586	8.6
109.06512	7.6
109.10188	13.0
119.08566	9.1
121.06609	1.5
121.10069	4.6
123.08056	11.2
123.11726	2.8
131.08560	9.6
133.10115	11.6
135.08017	7.7
145.06487	3.4
145.10083	11.1
147.11684	10.1
149.09552	2.4
151.07597	1.9
151.11162	2.9
159.08069	2.9
159.11717	7.9
161.05989	3.8
161.09613	3.3
161.13234	2.8
163.07506	2.3
163.11147	2.2
173.09637	2.4
173.13281	2.3
177.09077	2.7
177.16444	6.3
179.07033	8.1
179.10670	3.9
183.11684	2.2
187.11183	2.1
187.14847	20.9
197.13206	3.6
205.15843	24.7
211.11191	1.8
215.14296	11.8
217.15846	1.9
233.15318	20.4
237.86017	1.6
243.13908	1.8
263.18030	1.9
281.19037	12.8
289.14526	2.8
313.18130	3.4
329.17340	2.2
331.19025	34.1
341.17575	9.1
411.21774	2.8
545.32172	11.0
563.33679	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	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.04724	1.4
59.05003	32.9
59.49686	0.6
63.96964	0.5
69.03411	1.6
77.24189	0.8
78.53807	0.6
81.03396	1.5
85.02882	3.7
92.17896	0.8
97.02878	1.6
101.06023	16.6
105.07001	2.7
108.13068	0.8
108.50765	0.7
109.02863	4.2
112.79316	0.7
115.03925	6.1
127.03902	3.0
129.05464	100.0
133.06477	14.7
137.04980	1.0
137.05978	21.4
139.03836	0.7
147.06511	8.9
157.49254	0.7
163.07512	1.1
165.09113	11.4
171.18820	0.6
176.07602	0.8
183.10153	3.4
196.54926	0.7
203.10736	0.9
257.13791	28.5
273.09683	4.9
285.26550	0.8
291.10715	18.5
347.14920	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	564.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19800	0.4
54.56345	0.4
55.96009	0.5
65.03587	0.4
65.03934	0.5
67.05499	1.0
67.48718	0.5
69.07069	0.6
69.66838	0.4
79.05493	3.3
81.07050	1.0
91.05478	20.7
93.07034	2.4
95.04946	2.2
95.08588	1.9
97.06522	0.6
105.07024	7.2
106.57836	0.5
107.04940	2.9
107.08581	2.8
109.06525	0.9
109.10167	0.7
117.07006	2.3
119.04913	4.3
119.08562	6.2
121.06482	1.0
121.10095	1.9
123.08083	0.6
124.88403	0.5
128.06248	0.6
129.07005	0.8
131.08559	3.7
133.06543	0.8
133.10104	4.8
134.09647	100.0
135.08040	2.3
141.61064	0.5
143.08562	2.7
145.06497	0.6
145.10092	3.4
147.04472	0.6
147.08084	1.1
155.08566	0.9
156.09341	0.6
157.10147	3.2
159.08035	3.4
159.11688	1.2
161.09669	0.9
163.07713	0.6
165.06958	0.8
166.07837	0.7
167.08537	0.9
169.10161	1.1
171.11720	1.9
172.08784	0.7
173.09496	0.5
179.08554	1.1
180.09337	0.7
181.10115	2.0
183.11755	2.2
185.09590	2.0
187.11147	2.1
188.40762	0.5
192.09381	0.6
193.10222	2.0
194.10933	0.7
195.11702	2.4
195.61406	0.5
197.09641	0.6
197.13300	1.9
199.11269	2.0
202.98769	0.6
205.10095	0.5
207.11749	2.4
208.09727	0.5
209.13235	1.0
210.11259	13.6
211.11261	0.7
213.12842	0.6
215.10774	0.5
219.11717	0.8
220.12517	0.6
223.11201	0.7
223.14673	0.6
229.10310	0.6
234.14066	0.8
235.11154	0.5
237.16412	0.9
247.11165	0.6
249.16379	0.8
265.15970	2.0
267.17484	0.6
277.15869	0.6
295.17017	3.0
313.18011	1.2
355.19183	1.0
504.27356	0.9
564.29712	41.6
565.47705	0.6
583.65924	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	564.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68003	0.4
55.05505	0.8
63.89477	0.5
67.05497	1.0
69.07071	2.0
72.04510	6.8
79.05477	2.2
81.07055	5.0
81.92262	0.5
83.08607	1.2
91.05475	24.9
93.07034	4.8
95.08595	3.0
97.06502	0.5
98.31580	0.5
101.28753	0.6
103.05461	0.6
105.07027	11.6
107.04984	0.6
107.08578	7.7
109.06499	2.5
109.10155	2.6
111.08057	2.5
117.07004	2.1
119.04931	9.2
119.08578	8.2
121.06508	2.4
121.10139	7.5
128.06190	0.6
129.07013	3.5
131.08557	20.4
133.08862	2.9
133.10115	6.4
134.09645	39.9
135.08044	3.8
135.11708	0.6
137.09592	2.1
139.75854	0.6
142.07761	0.7
143.08542	5.1
144.09352	0.5
145.06482	2.4
145.10109	4.4
147.04417	2.1
147.08046	3.8
147.11679	1.2
148.11232	7.6
149.09619	0.8
155.08546	4.9
156.09352	0.8
157.10115	5.9
158.07225	1.1
159.08012	0.8
159.11674	13.9
161.09584	1.0
164.10693	1.1
165.06902	0.8
167.08510	1.0
169.10103	4.1
171.08061	2.9
171.11652	4.6
173.09694	0.7
175.11191	2.6
179.08641	0.9
180.09351	0.9
181.10092	4.0
182.10921	0.9
183.11674	8.5
185.09639	2.4
185.13277	0.9
187.11180	2.7
192.09398	3.1
192.10204	2.5
193.10104	3.4
194.10913	0.8
195.11693	4.5
196.12389	0.7
197.13235	7.4
199.11174	2.7
206.10918	2.3
207.11682	6.7
208.12485	0.7
209.09636	2.1
209.13298	3.8
210.11276	15.7
210.13380	0.9
210.14043	0.8
211.11165	2.4
211.14809	3.1
213.12819	1.1
219.11577	0.7
220.12502	1.1
221.13277	2.9
223.11319	0.9
223.14844	3.4
224.15526	0.8
225.12779	3.0
234.14043	3.5
235.14896	0.9
237.12639	6.6
238.17154	0.8
239.14264	2.0
239.17903	12.8
249.16351	9.6
252.12471	0.9
252.15099	4.7
253.15921	2.2
267.17380	15.6
269.19040	1.0
277.16016	1.0
295.16928	17.5
328.53714	0.5
355.18909	4.3
400.24884	0.6
486.26370	0.8
504.27408	20.7
564.29547	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	564.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17230	4.3
53.82365	3.9
55.05511	4.7
55.84229	4.6
57.07074	5.8
57.36473	4.7
69.07066	7.7
76.61895	4.1
78.75998	4.4
79.05495	5.5
81.07033	5.0
83.08615	11.6
83.68207	3.9
92.18578	13.3
93.07043	10.9
95.08578	7.7
95.53974	4.4
97.06522	4.7
105.05463	5.4
105.07016	22.2
107.04957	26.2
107.08588	10.5
109.06483	9.8
109.10125	6.2
119.08572	78.7
121.10119	8.3
128.06120	4.8
129.06961	8.4
131.08562	29.1
133.06491	10.1
133.10094	6.6
143.08524	38.0
145.10118	38.3
155.08575	19.4
157.10094	33.8
159.11588	5.9
161.09627	5.4
163.11153	6.1
169.10077	41.1
171.11726	19.8
173.09622	9.5
173.13216	7.1
180.10161	21.9
181.02098	5.2
181.10185	6.7
183.11676	62.5
185.13275	40.4
187.11162	5.4
187.14787	9.2
193.10138	5.6
195.11714	7.6
197.13319	8.7
207.11557	16.6
209.13208	8.6
221.13283	11.6
223.14798	8.2
237.16446	7.7
239.17830	8.2
253.19334	7.8
263.17914	25.0
281.18964	100.0
281.92029	5.5
299.19928	50.5
341.21149	36.5
359.22012	9.8
401.23416	44.0
461.25229	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62029	0.4
57.50607	0.6
61.46764	0.5
67.05481	0.6
74.06075	1.2
79.05492	6.8
91.05468	0.6
92.17816	1.0
95.08623	0.7
105.07012	2.2
107.04959	100.0
107.08637	0.9
109.10204	0.9
118.23869	0.6
119.08613	0.5
120.08098	11.9
121.05350	0.5
121.10168	0.7
123.11721	0.5
131.08575	0.6
133.10158	0.8
143.08554	0.9
145.10139	1.0
149.04852	1.1
149.05989	17.8
157.10156	1.0
159.11693	0.7
169.10101	1.1
171.11725	1.0
173.13147	0.6
180.10196	76.1
181.10184	0.7
195.11685	1.1
208.12602	0.6
209.13213	1.2
223.14836	2.4
235.18300	0.5
265.19562	1.2
429.51956	0.6
564.33142	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	564.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42878	0.5
60.60970	0.4
69.11853	0.5
70.72243	0.5
73.78346	0.5
74.06079	2.1
79.05501	6.5
91.05460	0.7
93.07022	0.7
95.08619	1.2
105.07021	3.3
107.04951	100.0
107.08579	0.6
109.10143	0.8
119.08562	2.2
120.08101	11.8
121.10091	0.8
131.08583	0.6
133.10144	2.4
143.08559	0.9
145.10101	1.3
149.05971	15.8
155.08522	1.1
157.10027	1.0
159.11711	2.1
162.81396	0.5
171.11667	1.2
180.10184	77.1
181.10106	0.9
183.11766	0.7
185.13280	0.5
195.11742	0.8
202.19197	0.6
209.13290	1.2
223.14815	0.7
232.43562	0.6
265.19507	2.9
283.20364	0.8
286.30603	0.6
444.29254	0.7
562.16254	0.7
564.33234	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	564.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87868	1.8
66.05155	1.9
67.05500	3.9
79.05475	5.2
81.07059	4.9
91.05505	4.8
92.72086	2.0
93.07034	13.2
95.04358	2.1
95.04949	7.1
95.08607	13.9
105.07054	15.1
107.08577	11.3
109.10170	7.2
117.06995	9.0
117.50084	2.0
119.08578	47.4
121.10131	11.0
130.07764	3.6
131.08485	3.6
133.10127	100.0
135.08049	7.8
135.11656	3.5
137.09631	3.7
142.68968	2.4
143.08556	3.9
145.10124	64.3
147.11716	10.3
155.08508	4.1
157.10110	12.2
159.11674	11.5
163.11177	13.8
166.23282	2.1
167.08577	2.7
167.90340	2.0
168.01927	2.1
169.10146	9.5
171.11691	16.4
173.13312	4.9
181.10081	8.8
183.11674	10.0
185.13303	4.1
194.11069	2.2
195.11725	13.6
197.13310	8.3
205.98936	2.4
208.12552	3.9
209.13283	26.0
221.00229	2.6
223.14804	18.2
235.14737	4.0
237.16449	2.3
265.19519	73.2
325.21869	3.7
385.23730	24.1
406.67545	2.5
487.65665	2.2
564.35248	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07076	7.5
91.05449	7.3
93.07057	6.9
95.04989	8.0
105.07019	11.5
107.04979	44.5
107.08566	11.4
119.08573	31.3
121.10146	11.9
127.26523	5.8
133.10136	73.6
135.08060	36.4
143.08559	6.8
145.10091	57.5
149.05940	9.4
157.10135	12.1
159.11592	5.7
163.11174	11.3
171.11726	9.3
180.10234	24.4
185.07242	5.7
185.76842	6.6
195.11667	7.8
209.13235	25.5
223.14929	7.3
265.19528	100.0
283.20477	22.0
385.23795	23.6
546.55762	5.7
564.34967	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	564.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.5
57.51141	6.4
62.06089	17.1
65.01205	7.8
65.41987	6.1
67.05508	6.5
67.56391	8.1
81.07048	12.1
83.04980	30.6
91.05463	11.5
93.07018	16.8
95.08597	52.3
97.40514	8.1
101.75208	7.2
107.08566	25.6
109.10172	9.0
119.08573	49.3
121.10104	8.5
131.08595	8.2
133.10144	100.0
135.08083	7.5
145.06433	9.7
145.10109	54.6
147.11656	13.4
157.10110	12.4
159.11662	13.5
163.11118	16.2
167.08574	8.1
168.09209	8.3
169.10092	14.2
171.11642	11.9
176.48898	6.9
181.10138	9.5
183.11694	11.4
195.11678	18.9
197.13385	12.0
209.13167	41.0
223.14832	38.6
265.19626	59.3
283.20532	72.7
349.69144	7.1
351.76007	8.2
401.26758	7.7
443.27682	14.4
493.63831	9.2
505.05118	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	564.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47130	3.1
53.32615	3.2
63.43019	3.4
67.05504	3.8
81.07044	6.7
93.07021	19.6
95.04929	7.5
95.08584	5.9
105.07019	8.2
107.08552	7.1
109.10118	4.7
117.06978	5.8
119.08572	47.3
121.10161	8.1
130.07744	3.4
131.08546	5.8
133.10112	100.0
135.08047	5.1
145.10112	66.1
147.11650	17.2
155.08640	3.9
157.10097	4.6
159.11710	7.9
163.11159	16.7
169.10083	13.9
171.11661	16.3
183.11687	7.0
185.13251	3.9
195.11665	18.8
197.13115	4.6
209.13275	32.1
223.14796	23.8
265.19498	83.7
283.20450	5.8
300.95844	3.4
385.23724	27.8
404.12079	4.2
408.15323	3.7
549.79706	3.7
564.35400	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	4.5
69.07056	2.0
70.39966	2.1
79.05483	4.8
81.03413	3.6
81.07059	4.4
85.30500	2.4
87.04413	1.8
87.92413	2.0
90.21725	1.9
91.05463	11.8
93.07029	22.3
95.04961	11.4
95.08593	18.4
96.44247	1.9
105.07011	17.0
107.08584	26.4
109.10152	9.4
117.06991	3.5
119.08572	48.9
121.10142	13.8
130.07758	3.2
131.08553	13.7
133.10118	100.0
135.08076	15.7
135.11664	3.5
137.09596	3.7
143.08562	9.8
144.56470	2.4
145.10115	55.7
145.11195	3.3
147.11656	10.6
155.08505	3.9
156.09424	2.8
157.10144	16.6
159.11632	17.0
161.09601	17.2
163.11203	14.7
167.08588	3.5
167.92287	2.5
169.10214	7.4
171.11653	16.1
173.13193	3.0
179.14566	2.5
180.33307	2.3
181.10123	9.9
183.11707	11.1
185.13319	5.2
193.10078	2.5
195.11710	22.3
197.13257	10.6
206.21382	2.1
208.12489	2.2
209.13237	27.6
211.14885	2.5
221.54863	2.3
223.14815	25.9
227.14418	2.3
237.16489	4.1
250.17171	3.2
255.26436	2.3
265.19473	80.4
283.20523	10.2
325.21814	3.9
385.23758	28.2
409.87244	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	565.1342
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.03903	0.5
61.40010	0.4
65.12550	0.4
66.73449	0.4
68.99785	0.6
70.33587	0.4
82.23628	0.4
82.38313	0.5
85.02879	0.6
86.82891	0.5
88.51919	0.5
96.04785	0.5
111.04443	1.0
119.08554	0.7
123.04418	1.9
127.03915	0.7
137.05989	0.9
139.03897	100.0
149.07405	2.7
151.03897	6.4
153.05498	0.8
163.03883	9.0
181.04944	0.5
185.05933	0.5
187.07567	0.7
203.06975	0.6
205.04936	0.6
208.01237	0.5
210.17018	0.4
213.05489	1.2
217.04929	2.6
225.05518	0.5
229.04944	1.0
231.06557	2.6
237.05399	0.7
241.04945	0.8
243.06458	1.0
253.05029	0.9
255.06467	2.4
259.05920	3.9
261.12772	0.8
271.06042	4.1
277.07031	0.9
281.19037	0.7
283.05978	0.8
287.09055	2.7
289.07028	2.3
299.20074	2.4
317.21097	2.4
379.08337	0.6
409.09167	2.0
421.08823	0.7
427.10269	9.7
435.16061	1.0
505.27628	0.6
561.24493	0.5
565.13440	10.6
565.21826	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	565.2044
Annotation	Kadsuphilol B
Peak:m/z	Relative Intensity
52.09180	0.8
57.07351	0.8
57.50274	0.8
64.24725	0.9
75.00963	0.8
90.50185	0.8
125.53181	0.9
139.03900	21.9
151.03859	0.9
210.30399	1.0
251.87578	1.0
260.85913	1.0
427.10263	1.7
452.19217	1.0
454.87418	1.0
565.20483	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	565.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29390	4.3
55.01864	5.5
66.87589	4.5
67.05513	4.8
69.03416	7.3
73.74310	5.1
85.02908	4.7
91.05453	9.6
93.07076	8.0
95.04946	29.1
97.06551	8.8
102.63908	5.9
105.03397	56.5
105.07034	29.1
109.06506	29.5
113.05991	20.9
117.07018	32.5
119.04940	19.6
121.06503	8.5
123.04424	33.7
125.05997	8.7
127.07462	4.6
129.07033	11.2
131.08537	8.5
133.06490	11.7
141.06982	19.2
143.08620	16.9
145.06473	33.9
147.08057	9.9
155.08560	25.4
157.06505	9.7
157.10095	11.2
159.08028	10.5
161.05905	9.8
163.07518	8.1
165.06871	10.0
166.07761	19.5
167.08546	24.2
169.06511	6.3
169.10124	12.3
171.08023	7.9
173.09579	8.1
175.07544	6.1
179.08513	27.0
180.09343	11.2
181.10069	38.6
183.08073	22.0
183.11696	9.2
185.09619	8.0
187.07532	9.3
190.07790	5.9
191.08588	6.8
192.09383	7.3
193.10222	38.7
194.10936	9.3
195.08031	8.9
195.11636	40.7
197.09674	20.9
197.13223	7.9
199.11104	6.3
204.09325	18.2
205.10074	11.6
207.11719	28.5
208.08958	6.7
209.09598	20.0
209.13242	26.4
211.11201	19.8
213.09084	5.7
213.12845	7.9
217.10060	6.0
219.11705	31.7
220.08769	5.5
221.09630	21.0
222.10464	12.3
223.11232	39.6
225.12805	24.3
231.11664	6.7
233.13205	6.8
235.11049	36.4
236.12035	9.5
237.12819	38.0
239.10759	7.2
241.12241	37.5
246.10416	5.5
249.12659	9.5
251.10565	6.6
253.12257	37.7
261.12717	7.3
265.12222	47.8
277.12140	7.7
279.13779	8.2
283.13266	21.6
295.13229	41.9
297.14798	9.7
307.13199	11.1
313.14236	30.6
325.14349	100.0
343.15439	29.1
355.15311	9.6
367.15356	7.2
385.16299	36.2
403.17645	9.2
445.18307	18.9
487.19824	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	565.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09731	6.2
52.91627	6.2
57.93780	5.9
58.58316	7.7
69.03444	9.2
76.22235	7.3
85.67222	7.4
91.05470	10.4
91.17496	7.0
95.04972	17.3
103.05414	6.6
105.07005	34.1
107.04962	13.5
109.06539	56.6
111.08033	8.0
113.05981	15.2
115.05476	11.7
117.07004	40.2
119.08592	15.3
119.44557	6.7
121.06518	13.1
123.04440	34.6
123.85490	6.4
125.05963	13.9
129.07033	36.7
130.62350	6.9
131.04918	10.2
131.08577	10.7
133.06461	28.0
135.08041	16.0
137.05986	38.0
141.06987	11.3
143.08548	38.2
145.06491	35.5
145.10168	10.8
147.08055	10.4
151.07492	8.2
155.08563	11.2
157.06419	14.7
157.10092	12.2
159.07921	8.5
161.06030	30.6
161.09534	9.7
163.03908	8.3
163.07539	29.1
164.26459	7.1
165.07016	15.3
165.92482	8.2
166.07852	8.0
167.08577	38.5
169.10159	12.0
171.08040	31.9
171.11710	8.8
179.08598	14.5
181.10153	47.8
183.08022	31.5
183.11674	27.8
185.09607	8.2
189.09142	12.1
191.08559	8.0
193.10147	35.1
194.10999	9.6
195.07994	15.9
195.11690	42.2
197.09567	15.5
199.11125	12.0
201.09216	8.5
205.10100	9.5
206.10838	11.2
207.11732	13.0
208.08853	8.5
209.09592	45.0
209.13269	38.1
211.11205	44.8
218.10910	8.8
219.08147	8.3
219.11708	36.0
221.09630	28.5
221.13385	11.1
222.10361	10.7
223.11198	38.8
225.12907	9.2
232.08719	7.4
233.13295	12.1
234.10393	11.0
235.11183	15.8
236.11888	12.2
237.12740	54.1
239.10706	32.0
241.12241	16.1
246.10471	8.6
249.12773	14.1
251.14297	9.9
253.12297	36.8
261.12729	32.8
265.12259	47.2
277.12274	7.8
279.13895	34.9
281.63406	7.4
283.13354	8.4
295.13315	58.3
297.14856	33.6
307.13315	24.1
313.14352	17.3
315.15958	8.3
325.14377	100.0
343.15378	39.4
355.15305	14.7
367.15671	12.4
385.16531	28.4
403.17627	11.4
445.18561	15.4
487.19449	13.0
505.20285	11.1
565.22308	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	565.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71191	2.1
56.34933	2.4
57.07072	2.8
67.05496	12.4
69.03418	10.0
69.07085	3.0
70.03577	2.7
71.19807	3.0
79.05476	3.6
81.07050	14.1
85.02901	23.0
91.05506	4.7
93.07045	18.4
95.08604	47.7
97.02890	11.1
97.26603	3.2
105.07050	21.0
107.08591	13.6
109.02864	5.2
109.10152	34.8
117.06998	5.1
119.08582	27.2
121.10142	15.6
123.11694	2.8
127.03922	14.8
129.06970	5.5
131.08571	17.6
133.10130	30.0
135.11670	6.3
143.08566	15.6
145.05003	4.2
145.10098	31.5
147.11703	3.1
155.08553	12.7
157.10092	25.4
159.11655	21.6
167.08496	6.3
169.10101	11.5
171.11708	28.7
173.13261	6.4
180.09285	3.4
181.10104	19.2
183.11711	19.5
184.10957	2.6
185.13263	16.3
194.10977	11.9
195.11682	26.9
197.13181	24.5
205.07071	4.1
208.12453	5.4
209.13246	25.0
211.14787	4.7
221.13403	4.8
223.14781	25.0
235.14778	2.9
237.16287	4.7
241.15775	4.2
250.17134	3.5
265.19498	100.0
283.20517	31.2
301.21707	5.8
325.21906	4.0
332.44608	2.9
565.20898	3.7
565.30090	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	565.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30577	5.1
55.05505	4.6
59.66460	5.2
66.72246	5.2
69.07070	6.5
69.78657	5.6
70.04927	5.0
70.07326	5.5
78.02126	5.2
81.07061	13.2
83.04983	59.7
84.90413	4.8
91.05423	5.6
93.07089	9.0
95.08586	7.0
97.06466	8.2
100.04504	5.3
105.07027	9.4
107.08588	8.7
109.06509	60.9
109.10162	6.5
111.08081	11.0
119.08559	22.7
121.06528	9.1
121.10113	11.9
131.08521	10.8
133.10107	45.6
135.08051	73.5
137.05984	48.3
139.07579	12.9
145.06467	69.5
145.10126	20.6
147.08028	11.4
147.11673	10.9
157.10098	11.3
159.11668	13.1
163.07516	100.0
165.09102	28.1
169.10103	11.7
171.11656	25.5
173.09633	7.6
173.13304	21.1
183.10184	19.2
183.11708	20.9
185.13246	5.3
195.11783	5.5
197.13243	13.0
199.11136	20.5
201.12709	22.1
205.08559	11.3
207.11673	7.4
209.13319	6.4
225.12877	10.3
239.14249	6.3
239.17932	48.3
249.16316	20.5
257.18994	10.6
265.06680	6.9
267.17389	87.8
285.18463	66.5
289.14389	6.6
327.19513	87.7
345.20560	29.0
365.16211	6.6
445.25772	5.6
505.27280	9.0
565.30206	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	565.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08709	3.9
52.77559	3.7
57.07063	17.5
62.58638	3.6
67.05525	4.9
71.01365	5.2
73.94057	3.9
75.82759	3.6
77.08035	5.1
81.07057	18.4
81.47892	4.6
91.05463	9.1
93.07043	8.6
95.04982	5.1
95.08611	4.3
101.17506	4.3
105.07050	5.7
107.08599	10.1
109.06512	100.0
109.10111	5.7
111.00462	4.2
117.06998	5.5
119.08572	17.5
121.06453	6.7
121.10149	5.2
123.08041	6.3
133.10112	75.8
133.17603	5.1
135.08086	19.2
137.05959	58.2
143.08514	7.6
145.06471	69.1
145.10135	15.8
147.08060	6.4
147.11665	9.2
157.10112	31.7
159.11699	7.6
163.07556	28.1
163.11176	4.5
170.10895	5.3
171.11650	42.5
173.13182	8.5
181.10196	7.8
183.11778	9.0
185.13234	24.8
195.11716	26.2
197.13290	19.8
199.11227	17.0
207.11687	6.1
208.12404	5.3
209.13213	10.0
211.14789	7.1
213.12717	6.8
213.16368	15.8
222.14049	10.0
223.11157	15.7
223.14902	7.2
227.17871	5.8
232.12354	7.2
237.16353	32.1
241.15883	6.7
247.14622	5.6
255.17442	29.5
265.15839	36.6
283.16888	81.0
301.18015	9.8
325.17892	6.9
343.19003	16.5
403.20990	15.8
444.75046	4.6
445.22009	23.9
565.29956	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3526
Annotation	manzamine Y
Peak:m/z	Relative Intensity
56.28228	0.6
67.86447	0.7
69.07081	1.4
73.58234	0.7
81.07049	1.7
93.07070	0.7
95.08613	4.8
97.06541	1.1
98.01434	0.7
105.07031	3.8
107.08591	3.6
109.10169	5.2
115.65587	0.7
119.08577	14.0
121.10163	1.2
123.11708	1.6
133.10120	8.7
137.09634	2.9
145.10168	1.1
147.08009	0.8
147.11716	4.3
149.09589	0.8
151.11201	4.1
157.10249	0.9
161.13275	1.3
163.07532	1.6
173.13287	4.9
179.07057	8.6
179.10703	4.4
183.62755	0.8
189.16405	7.9
207.17560	1.0
210.76987	0.7
217.15889	4.9
235.16948	4.9
236.51961	0.8
243.13847	1.1
245.11671	0.9
248.58675	0.8
282.84653	0.8
289.14334	4.9
331.19061	18.7
341.17532	3.5
359.18588	3.3
395.22211	0.9
436.98370	0.8
565.34387	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	565.3526
Annotation	manzamine Y
Peak:m/z	Relative Intensity
69.07046	6.9
70.57649	7.0
81.07040	9.4
107.08590	9.6
119.08575	36.2
153.06580	7.1
170.72678	8.1
179.07013	12.2
189.16396	18.7
331.19043	55.8
562.08368	9.8
565.35309	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	565.3528
Annotation	manzamine Y
Peak:m/z	Relative Intensity
55.05502	1.0
56.79266	0.9
62.23045	0.8
67.05503	1.5
67.79719	0.9
69.07068	4.2
73.15043	0.7
79.04504	0.8
79.05505	1.3
80.00307	0.9
81.07050	5.4
83.08603	1.2
89.63499	0.9
90.93240	0.9
91.05481	1.2
93.07032	3.8
95.04966	1.4
95.08596	8.8
97.06546	1.3
105.07019	9.1
105.81158	0.8
107.04918	1.0
107.08610	5.6
109.10140	11.7
119.08569	31.2
121.06463	0.8
121.10132	3.3
123.08038	1.2
123.11738	1.4
131.08574	6.5
133.10104	12.4
135.11687	1.8
137.09610	6.1
137.27051	0.8
143.08566	1.3
145.10124	6.1
147.08026	2.2
147.11690	4.7
149.50484	0.8
151.11198	8.9
157.10143	3.4
158.10930	1.5
159.11667	1.7
161.09618	1.2
161.13249	5.5
163.07526	4.2
165.09128	1.3
171.11687	2.2
173.13226	17.2
179.07030	17.5
179.10629	6.7
185.56996	0.9
187.14891	1.8
189.16438	7.2
199.14864	1.7
205.15938	4.9
215.10638	1.1
217.15913	15.4
218.16750	2.0
219.10156	1.6
229.11928	1.2
233.11737	1.5
233.15366	1.3
237.66823	0.9
245.11745	1.5
253.12387	1.7
266.19644	1.1
289.14340	9.2
312.46371	1.0
313.17920	1.7
324.79034	0.9
331.19006	51.7
333.20398	6.2
341.17343	9.6
355.46191	0.8
547.33899	3.9
565.35193	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	565.4045
Annotation	28380-31-6
Peak:m/z	Relative Intensity
55.05499	3.9
66.97133	3.5
67.05508	6.2
69.07053	7.0
81.07050	12.5
91.05475	4.9
93.07036	20.9
95.08591	14.1
105.07064	25.6
107.08581	15.0
109.10169	5.7
119.08597	31.2
121.10175	25.9
123.08064	4.9
125.06041	3.0
131.08586	13.3
133.10139	17.0
135.11737	5.2
143.08534	6.0
145.10101	15.0
147.08002	3.4
147.11703	4.9
151.07503	4.0
155.08615	5.0
157.10100	22.7
159.11708	5.2
165.09131	6.7
169.10104	5.9
170.97377	3.7
171.11705	13.3
173.13254	13.3
183.11670	12.2
193.10155	4.5
194.10925	3.9
195.11687	7.8
197.13281	7.1
199.14861	3.6
207.11652	5.8
209.13205	7.4
221.13321	5.5
221.15346	7.4
223.14810	4.0
235.15169	3.7
247.14598	4.2
261.16235	4.6
354.49832	4.2
473.34070	6.5
547.39709	3.7
565.40582	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	4.2
58.72480	4.0
60.57170	3.8
64.88984	4.2
67.05492	5.1
69.07079	4.7
79.05482	6.0
80.76991	4.3
81.07045	17.2
84.00757	3.8
91.05455	9.7
93.07039	30.7
95.08607	25.3
105.07039	18.3
105.41839	4.2
107.08633	13.0
109.10146	15.7
119.08558	28.8
120.89241	4.5
121.10138	26.1
123.08063	5.7
123.11727	4.9
131.08586	8.7
133.10136	25.5
142.07716	6.0
143.08548	15.7
145.10074	9.0
147.08067	5.6
151.07527	5.4
157.10091	24.7
159.11670	9.3
161.13249	5.4
165.09068	9.1
171.11705	7.1
173.13237	9.9
183.11739	16.5
185.13326	7.6
193.10181	4.1
195.11694	6.0
197.13312	5.2
199.14769	5.9
209.13295	8.1
217.15848	7.6
221.13214	6.5
221.15321	15.8
223.14749	6.9
235.14775	6.0
331.24307	4.2
441.29276	4.0
473.34384	7.3
500.27997	4.3
535.78998	4.4
547.38989	5.9
565.41669	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	566.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34976	0.8
60.74816	0.8
72.04496	1.1
79.05486	1.9
86.70540	0.9
90.41379	0.8
91.05478	84.8
103.05459	1.7
119.04927	14.5
129.19307	1.0
134.09647	41.4
143.08575	1.2
148.11191	1.9
153.06950	1.0
155.08543	5.4
157.10074	1.2
164.10710	1.1
165.06969	9.8
166.07726	1.9
166.87279	0.9
167.08546	21.7
169.10138	2.0
177.65359	1.0
178.07707	2.0
179.08536	22.4
180.09329	12.5
181.10115	17.6
183.11768	1.1
193.10077	7.5
194.10890	25.4
195.07991	1.3
195.11681	3.6
197.13264	1.2
204.09378	1.3
205.10040	0.9
207.11684	3.3
208.09673	1.5
208.12476	5.0
209.13239	55.3
210.11244	75.5
211.11139	12.5
219.11697	4.8
221.13297	1.2
222.10376	8.0
225.12720	1.9
227.14395	2.0
237.12677	18.9
239.14308	1.9
253.12170	6.9
255.13828	2.0
297.14828	4.2
299.16489	1.4
443.70978	1.0
478.25467	7.0
506.25290	19.3
566.27423	100.0
584.59735	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	566.275
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00212	0.8
62.13182	1.0
65.56033	1.0
72.04538	0.9
74.15907	1.1
77.78910	0.9
79.05475	1.4
90.02827	0.9
91.05479	100.0
93.07011	1.0
103.05475	2.2
107.04996	1.3
107.47948	0.9
119.04929	24.6
121.06487	1.5
129.07028	1.9
130.07715	1.3
133.08859	1.4
134.09653	45.5
143.08574	1.8
148.11147	3.7
153.07048	1.1
155.08588	2.3
157.10107	1.2
165.06990	10.5
166.07751	1.9
167.08559	19.3
168.09302	1.6
169.10077	1.9
178.07774	1.4
179.08543	26.9
180.09343	17.7
181.10110	22.4
192.10107	1.2
193.10223	7.3
194.10849	29.2
195.08084	3.9
195.11699	6.5
196.08818	1.5
197.13306	1.3
198.25635	1.0
203.08585	1.7
204.09370	5.1
207.11653	7.6
208.09595	1.5
208.12469	5.2
209.13251	58.2
210.11249	87.2
211.11162	13.6
211.14613	1.3
219.11694	6.3
222.10341	10.9
225.12715	5.9
227.14168	3.5
237.12752	18.8
239.14215	4.1
253.12212	7.5
255.13809	2.4
282.37500	1.1
297.14774	4.1
428.35373	1.1
470.21869	1.2
478.25809	8.0
506.25418	18.3
566.27429	84.4
589.20551	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	566.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52241	0.5
51.87402	0.5
52.14723	0.5
57.91140	0.6
61.06559	0.6
67.05504	1.0
79.05485	1.1
91.05476	100.0
93.07043	1.2
103.05462	3.5
105.07040	9.6
107.04947	0.8
112.95547	0.7
116.63694	0.7
117.06995	2.6
119.04942	24.7
121.06485	1.4
129.06975	2.8
131.08601	1.7
133.06439	2.7
134.09653	34.4
141.06985	1.2
143.08521	2.7
145.06474	1.2
147.04404	6.6
152.06114	0.7
153.07002	1.4
155.08516	5.6
165.07002	7.9
166.07736	1.6
167.08557	10.4
169.10098	3.5
171.54123	0.7
178.07739	5.6
179.08540	14.8
180.09296	8.7
181.10107	9.8
183.11592	0.8
189.06952	1.3
191.08574	3.3
192.09352	3.8
193.10104	10.4
194.10921	13.3
195.08011	1.0
195.11679	7.7
197.09605	2.7
203.08598	5.8
204.09344	18.0
206.10912	1.7
207.11687	5.2
209.13261	14.6
210.11241	78.3
211.11215	1.8
219.11676	19.5
221.13254	4.5
222.10353	8.3
226.24590	0.8
235.11121	0.9
237.12740	23.8
252.12364	4.3
255.13831	3.8
279.13791	1.2
297.14966	9.2
473.97531	0.8
506.25403	7.5
539.87000	0.9
548.27069	2.6
566.27448	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.1
56.75545	3.3
57.03394	3.9
59.89424	3.6
61.38045	3.6
83.04981	15.0
85.86095	3.8
86.53969	4.0
95.08610	5.4
97.06544	6.4
101.06008	23.7
107.04922	5.1
119.08605	6.9
120.08147	7.1
124.33086	4.1
129.06963	5.6
131.04932	8.1
131.08601	5.8
133.10179	5.0
135.08113	7.3
137.09561	6.5
140.37074	4.2
143.08577	18.8
145.10136	5.4
147.08064	5.5
149.09592	9.4
157.10150	24.0
159.08023	8.2
161.09616	8.1
163.07497	8.7
163.11197	5.5
169.10152	4.8
171.08041	6.9
171.11610	7.5
173.09590	6.1
181.10117	8.6
183.11725	7.5
185.09634	25.6
185.13312	6.3
186.87514	5.1
187.11154	4.7
195.11697	16.5
197.09560	7.9
197.13300	9.5
199.11166	17.6
199.14853	6.6
201.09055	7.4
201.12805	4.6
203.10631	4.3
207.11560	5.1
209.09509	4.6
209.13246	5.5
211.14836	28.3
213.12654	7.1
213.16420	6.5
217.12184	4.7
223.11136	5.6
223.14783	24.1
225.09109	19.6
237.16319	7.5
239.14284	23.4
241.12233	8.7
241.15834	92.9
243.17354	6.9
251.14272	26.0
255.17545	32.7
259.16983	26.7
265.15909	27.1
269.15427	43.1
283.16876	76.2
287.16342	8.5
293.15259	18.2
301.18018	41.5
311.16434	63.6
329.17419	70.3
343.19122	70.2
353.17426	7.7
371.18552	100.0
389.19574	34.2
403.21259	33.2
431.20508	48.4
489.24759	77.4
549.27008	24.7
566.29956	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	566.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73998	0.6
57.85096	0.7
67.05488	2.0
69.07061	1.1
72.04504	3.4
72.55476	0.8
77.61262	1.0
79.05504	4.2
81.07059	8.3
91.05479	12.9
93.07044	8.7
95.04951	1.0
95.08612	4.3
105.07027	14.4
107.04957	56.2
107.08604	7.1
109.06531	1.9
109.10157	5.0
115.05451	1.1
117.07020	11.8
119.04929	4.3
119.08562	13.1
121.06469	3.2
121.10147	9.0
123.11721	10.7
131.04939	9.6
131.08578	4.2
133.06514	1.0
133.10104	10.2
134.09660	10.7
135.08057	9.3
137.09650	4.7
143.08540	1.6
145.10156	3.7
147.04454	1.2
147.08057	2.1
147.11813	1.2
149.05974	15.9
151.11166	14.1
155.08629	1.6
157.10172	3.6
159.11707	3.1
161.06105	0.9
165.07065	1.0
167.08504	1.2
169.10161	1.4
171.07994	0.8
171.11723	2.1
179.08685	1.1
179.10640	0.9
181.10101	1.2
183.11700	7.2
193.10173	1.2
194.11775	100.0
195.11784	1.1
197.13251	4.3
207.11760	1.2
209.11040	0.8
209.13277	1.9
210.11252	13.8
225.12962	1.2
234.14363	1.2
239.17989	4.6
249.16376	1.2
267.17484	2.0
285.18652	3.2
313.17883	3.3
485.92197	0.9
566.31219	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.7
67.05512	7.6
69.07050	7.2
79.38538	3.8
81.07032	9.3
87.45936	3.5
91.05506	5.8
93.07044	22.5
94.47938	4.1
94.91230	3.5
95.08630	16.2
103.05473	5.2
105.07003	41.5
107.08585	22.8
109.10153	9.5
119.08545	63.0
121.10180	6.7
129.06982	6.7
131.04926	43.1
131.08556	15.8
133.10101	24.7
141.06920	4.1
142.07779	6.3
143.08568	32.5
145.04268	3.7
145.10123	44.8
147.11693	4.1
149.48561	4.0
155.08566	31.7
156.09352	6.4
157.10120	55.2
159.11659	9.4
167.08484	4.6
169.10153	30.4
171.11673	25.8
179.08585	7.4
181.10103	17.1
182.10854	5.5
182.45207	4.2
183.11710	27.9
192.09367	8.3
193.10143	34.4
194.10933	4.7
195.11667	24.6
197.13289	24.5
205.10036	4.1
206.10912	8.3
207.11703	42.0
208.12444	7.7
209.13287	17.0
211.11206	5.1
211.14920	5.3
219.11658	6.8
221.13245	43.4
223.14781	8.2
225.12741	5.3
233.13280	18.6
234.13977	5.2
235.14691	5.9
248.15553	14.5
253.19402	8.8
263.17969	100.0
281.19043	64.3
299.20041	15.3
341.21106	15.3
509.04633	4.9
531.27417	15.8
585.33282	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	566.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46052	5.2
53.91914	6.0
60.60566	5.5
61.63015	5.8
65.92365	6.0
70.59551	5.6
73.70114	5.8
74.80151	7.8
92.23293	7.0
94.87955	6.5
95.08561	9.3
101.84638	6.8
102.10900	6.8
105.06998	11.8
107.08532	10.7
109.97799	6.6
119.08558	46.6
121.10130	6.9
123.08049	6.6
128.82027	6.3
131.08554	8.5
132.95862	7.8
133.06532	6.3
133.10162	22.9
135.08046	7.7
143.08551	31.6
145.10120	27.8
155.08540	7.3
157.10104	16.4
169.10097	16.4
171.11629	22.0
171.83783	6.0
173.09627	6.8
173.13165	8.9
175.11102	7.0
182.00464	6.3
183.11696	34.1
185.13197	10.6
187.14815	8.0
191.00468	6.4
191.21114	6.9
195.11719	8.4
207.11662	10.7
211.14787	7.1
221.13214	25.7
239.14285	11.7
240.63538	5.9
253.19537	8.5
263.18036	50.7
281.18982	100.0
299.20056	10.6
341.21201	60.8
345.83450	7.0
359.22186	11.1
401.23175	13.1
426.25113	7.6
461.25900	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	566.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35162	1.9
51.66416	2.2
67.05474	2.5
70.45985	2.5
70.46408	2.0
73.42931	2.4
79.05471	2.2
80.63415	2.3
81.03448	3.1
81.07062	9.5
88.67310	2.1
91.05479	11.2
93.07050	21.1
95.04974	10.4
95.08627	16.6
105.07032	16.0
106.52109	2.3
107.08581	17.7
109.10159	12.3
117.07011	5.3
119.08570	47.9
121.10145	9.7
124.53435	2.4
127.68932	2.2
131.08594	4.1
133.10136	100.0
133.11142	3.3
135.08044	12.9
135.11740	4.2
137.09616	4.5
143.08617	5.1
145.10124	50.2
147.11723	13.2
155.08580	2.8
157.10115	10.1
159.11678	14.0
161.09625	10.6
163.10054	2.3
163.11140	20.4
165.32944	2.2
169.10143	5.2
171.11693	16.8
181.10112	8.8
183.11688	10.8
185.13298	4.6
194.10924	3.9
195.11774	12.4
197.13255	11.3
205.59198	2.5
209.13225	26.3
211.15001	3.1
223.14886	17.4
250.17331	3.6
265.19510	88.0
283.20557	19.9
325.21664	5.6
329.09848	2.5
343.22598	8.6
385.23788	43.4
566.32971	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	566.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47291	2.0
55.05493	2.6
55.23673	2.0
61.62023	2.1
67.05502	9.5
69.03406	2.1
79.05499	3.2
81.03420	9.7
81.07057	16.7
91.05470	13.2
92.08262	2.9
93.07054	35.1
95.04980	21.1
95.08610	25.0
97.10865	2.2
105.07048	17.9
107.08585	28.1
109.10153	22.8
111.07997	3.2
117.06980	11.4
119.04935	2.6
119.08573	49.7
121.10149	14.5
123.46457	2.2
125.73329	2.0
130.07806	3.5
131.08540	8.8
133.10121	100.0
135.08044	30.0
135.11729	5.3
137.09625	4.6
141.06929	2.3
143.08568	11.5
145.06509	3.1
145.10133	72.0
147.11656	20.5
149.13312	2.6
155.08458	5.6
157.10104	19.8
159.11693	16.1
161.09593	35.1
163.11165	20.3
169.10158	11.1
171.11661	22.1
173.13295	4.1
181.10126	11.5
183.11655	16.0
184.77846	2.8
185.13228	4.7
189.12791	3.5
194.10783	3.2
195.11679	22.6
197.13269	13.0
199.14772	2.8
200.46925	2.4
201.12807	3.5
208.12460	3.7
209.13255	35.6
211.14769	2.9
223.14798	23.7
227.14389	3.2
237.16469	2.7
250.17200	2.8
265.19482	91.7
283.20618	25.9
325.21506	8.0
343.22589	4.8
385.23636	41.4
447.26935	2.6
504.33643	2.4
517.06244	2.6
566.33325	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	566.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06643	0.8
63.14888	1.0
68.41430	0.8
72.04504	1.1
79.05488	8.4
93.07037	1.2
105.07059	1.4
107.04953	100.0
109.10159	1.1
109.43211	0.9
119.08563	4.1
133.10225	1.3
134.09648	29.5
137.46887	1.1
143.08601	1.2
145.10136	1.1
149.05972	20.2
159.11687	1.0
192.10178	1.4
194.11760	91.3
197.13312	2.2
202.53934	0.9
239.17957	1.3
253.19368	1.1
253.53276	0.9
281.18939	2.2
319.12033	1.0
449.82193	1.0
474.29929	6.1
506.32660	34.3
524.53906	1.0
566.34711	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	566.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89822	0.8
60.53545	0.9
66.45874	1.0
67.69624	0.9
72.04475	0.9
79.05471	4.0
81.07050	1.4
89.03800	0.9
107.04950	92.3
119.08578	4.8
121.10137	1.4
124.29538	1.0
132.87358	1.0
133.10127	2.2
134.09642	26.5
149.05980	20.7
159.11732	1.2
192.10210	4.1
194.11757	100.0
197.13242	2.0
234.19026	1.1
239.17906	1.8
281.18887	2.2
347.29294	1.0
354.08084	1.0
474.30087	9.9
506.32562	34.3
566.34778	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	566.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11728	0.9
50.91182	0.9
51.29352	1.0
51.41444	0.8
59.80028	1.0
64.79766	0.9
65.12487	1.0
68.36591	1.2
79.05482	6.2
80.52567	1.2
92.17883	2.8
95.08587	1.6
105.07041	2.3
107.04960	100.0
119.08569	2.5
120.25296	1.1
133.10071	1.6
134.09656	32.8
141.01920	1.3
145.10135	1.5
146.14532	1.3
149.05981	24.2
192.10222	1.6
194.11765	96.4
197.13274	1.3
222.17085	1.3
281.19040	2.6
474.30203	4.5
506.25778	1.9
506.32666	37.0
566.34808	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	566.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80896	5.6
62.06082	13.4
71.08595	7.1
71.41035	6.6
79.24403	6.9
81.03413	36.2
81.07030	9.6
93.07040	31.9
95.04926	13.1
95.08606	16.4
105.07066	8.9
107.08591	39.1
109.06558	7.4
109.10133	14.8
119.08566	12.0
121.10145	13.3
122.55528	7.4
132.75435	7.2
133.10104	51.2
135.08038	100.0
145.06569	8.5
145.10165	38.3
147.08118	11.8
147.11691	9.0
156.32741	7.8
159.11662	12.6
161.09601	93.4
163.11160	18.0
183.11699	8.7
238.75652	7.0
241.15932	7.9
255.20988	8.8
283.20599	48.6
343.22641	41.5
365.71454	7.5
436.65448	7.1
445.29239	50.8
461.90350	7.3
468.83194	7.9
504.77029	7.9
519.75031	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	566.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
62.07990	2.8
67.05493	14.6
69.03420	5.6
73.07020	3.2
79.05486	11.2
81.03416	22.5
81.07047	12.7
91.05484	7.5
93.07028	38.9
95.04954	24.3
95.08591	18.0
105.06298	2.7
105.07018	16.7
107.04916	5.3
107.08595	38.7
107.75049	2.9
109.10148	54.9
111.08099	3.2
117.07013	6.2
119.08577	55.1
120.39250	4.0
121.10123	21.7
123.11691	4.9
130.07745	3.1
133.06552	3.9
133.10126	100.0
135.08035	63.1
137.09674	4.5
145.10107	41.8
147.11658	16.9
157.10139	4.9
159.11671	6.1
161.09613	79.1
163.11171	35.8
169.10147	5.6
171.11710	13.8
173.13255	6.8
178.28542	3.3
181.10275	3.2
183.11760	4.7
185.13264	3.2
189.12573	3.5
195.11713	4.4
197.13110	3.3
209.13307	4.8
225.16322	4.0
227.14261	3.3
241.15799	5.0
265.19559	29.4
281.24313	3.5
283.20596	59.8
301.21234	3.3
312.39957	3.6
343.22705	50.9
396.64078	3.7
461.28845	20.6
566.36932	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	5.3
69.72124	0.7
73.87902	0.7
79.05476	1.3
96.08122	28.5
97.06500	1.0
113.10773	15.9
114.09163	90.0
115.07561	1.6
132.10188	3.8
164.73309	0.8
208.18179	0.7
209.16484	45.6
226.19115	14.6
227.17552	9.0
228.15918	22.2
228.18001	1.1
245.18689	1.6
321.26630	1.7
322.24902	14.6
339.27643	3.2
340.25955	3.0
341.24487	3.9
432.29233	0.9
435.33362	3.8
453.34262	5.6
548.41699	2.5
566.42743	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	566.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33494	0.6
50.50340	0.6
57.10873	0.7
57.15042	0.6
62.06115	1.0
69.07066	1.5
78.11083	0.8
84.10712	0.7
86.09703	100.0
110.29076	0.9
133.10156	1.0
135.08020	1.2
138.09019	0.6
145.10077	1.1
147.11725	0.7
154.15898	7.6
161.09653	1.3
181.10005	0.8
193.32535	0.7
199.18044	71.8
227.17520	54.4
245.12155	0.8
265.19617	3.7
267.24332	9.7
295.23758	5.4
325.21786	1.3
340.25858	14.4
343.22467	1.1
403.24722	0.9
408.32608	0.9
413.19989	0.8
425.34723	6.5
453.34317	31.7
521.40625	1.5
538.43286	8.7
566.42792	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	0.2
55.05519	0.4
56.05340	0.2
69.07067	2.9
79.05482	0.5
82.02704	0.2
94.57632	0.2
96.08127	16.4
97.06532	0.4
105.46367	0.2
105.58531	0.2
113.10765	10.3
114.09165	69.3
115.07572	1.4
120.75008	0.2
132.10194	1.6
177.49345	0.2
191.15366	0.4
192.13821	0.3
195.81725	0.2
208.18091	2.9
209.16486	43.3
210.14886	2.3
226.19139	17.4
227.17523	7.5
228.15939	22.5
245.18553	1.8
264.30103	0.2
311.19662	0.2
321.26410	3.2
322.24875	25.2
323.23499	0.9
339.27530	8.8
340.25885	2.5
341.24316	5.5
358.27377	0.3
413.01617	0.2
434.35016	1.4
435.33310	9.1
452.36026	2.8
453.34235	3.9
548.41663	8.0
566.42773	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	566.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71788	0.3
55.05525	0.4
62.94912	0.4
68.15442	0.4
69.07066	6.3
71.08640	0.4
79.05496	1.5
83.65178	0.4
96.08125	26.7
97.06551	0.9
103.69215	0.5
113.10758	14.1
114.09164	87.3
115.07563	1.8
122.46031	0.5
132.10220	3.7
139.03900	0.5
145.97331	0.4
192.13870	0.7
208.18080	2.5
209.16479	44.5
210.14931	0.9
226.19135	12.7
227.17511	10.8
227.19598	0.5
228.15927	22.3
245.18683	2.1
288.43045	0.4
288.46661	0.5
307.01065	0.4
321.26343	1.7
322.24890	14.0
323.23392	0.5
339.27521	3.6
340.26050	3.4
341.24185	3.2
434.34549	0.5
435.33395	3.9
453.34164	4.6
548.41162	3.4
566.42761	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	567.1289
Annotation	Ginkgetin
Peak:m/z	Relative Intensity
62.74357	0.4
82.28092	0.4
84.53639	0.4
117.20333	0.4
117.96520	0.4
121.02859	24.1
154.67845	0.4
167.03410	3.8
230.69518	0.4
283.06061	1.8
298.24429	0.5
311.08997	2.1
335.09357	1.0
339.08789	0.6
359.09164	0.7
390.07367	0.8
401.10126	4.2
403.08142	0.5
416.05557	1.0
417.06140	3.3
431.07520	4.1
432.08066	3.8
449.08530	1.9
507.10748	0.5
510.09210	0.6
525.12201	0.6
535.10162	13.5
552.10602	0.6
567.12836	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	567.2224
Annotation	Pterocellin E
Peak:m/z	Relative Intensity
53.03941	1.4
59.38431	0.7
67.91891	0.9
82.79877	0.9
95.04954	6.8
105.03393	100.0
105.04527	4.3
108.68239	1.0
121.02835	0.9
135.04369	0.8
135.08055	1.5
157.06444	1.2
207.11739	1.2
239.10690	1.0
249.09076	1.8
251.14279	1.3
253.12234	1.6
255.14084	1.0
264.11511	1.3
266.09439	1.0
267.10074	1.5
269.15274	1.2
279.13849	4.6
281.11737	10.5
295.13248	2.3
297.14822	1.6
307.13190	8.2
325.14374	5.5
475.19287	1.2
567.12714	24.6
567.22119	44.4
567.30542	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	567.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61752	3.2
57.79619	2.5
59.84686	2.7
72.15516	2.6
85.98342	3.3
92.17897	9.3
92.18494	5.6
145.45627	3.1
168.26201	3.0
225.59595	2.9
443.85455	3.1
567.12927	18.9
567.32782	100.0
567.41870	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	568.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.4
80.89563	0.8
81.03393	1.1
85.02908	7.7
85.81448	0.8
92.17822	2.5
97.02865	1.7
103.05442	1.6
104.24276	0.8
107.04929	7.0
107.08592	1.2
109.02885	1.3
111.28806	0.8
127.03985	1.1
131.04922	40.4
137.04980	1.8
137.05980	35.9
138.28717	0.9
149.05969	1.8
151.03885	3.6
163.07538	22.1
165.05519	1.4
166.48558	1.0
167.07028	94.8
175.07509	4.9
179.07135	0.9
187.07478	1.2
193.08549	1.3
194.11729	2.2
195.06531	1.4
205.56392	0.8
207.06487	6.3
209.08121	6.1
221.08145	0.9
232.26981	1.0
235.09691	3.7
236.04730	0.8
247.09630	4.2
261.08954	6.1
289.08603	4.2
293.11911	6.1
321.11099	8.6
332.68756	1.0
353.13800	2.0
371.14890	15.6
389.15921	100.0
510.48419	0.8
568.28650	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	568.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.76945	0.4
54.57060	0.5
64.57156	0.6
79.05498	6.7
91.05463	0.7
105.07001	2.5
107.04955	100.0
116.50729	0.5
119.08563	2.3
120.08109	6.7
121.10101	0.8
123.07933	0.8
125.70860	0.7
133.10106	0.8
134.09608	2.4
145.10060	0.6
149.04861	1.1
149.05978	22.6
157.10033	1.5
167.94531	0.6
171.11563	0.8
180.10194	48.6
181.10036	0.7
183.11592	0.6
194.11772	18.1
194.85112	0.6
207.11588	0.6
209.13251	1.4
227.14391	0.7
237.12663	0.8
241.15800	0.7
283.17047	1.1
326.50204	0.6
397.13864	0.6
525.93610	0.7
568.28894	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
76.91959	1.0
79.05481	7.8
90.62190	1.2
91.05466	8.4
91.78996	1.2
93.07013	2.7
105.07008	5.3
107.04953	100.0
119.08561	2.6
131.04874	1.5
131.08548	1.7
133.06444	1.7
134.09677	15.1
143.08521	1.6
145.06476	5.2
149.05971	16.4
152.25044	1.1
154.35959	1.1
155.08546	1.5
163.34021	1.3
167.08522	1.3
169.10219	1.7
179.08488	2.2
181.10167	1.4
192.09303	1.1
194.11774	69.9
207.11681	1.5
209.13222	4.9
210.11198	5.2
211.11421	1.7
214.13214	1.3
225.12714	12.6
237.12741	1.8
255.13739	1.8
297.18643	1.3
338.69012	1.4
375.18246	2.5
490.25934	2.5
508.30161	1.9
568.28375	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	568.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08242	0.5
59.84299	0.5
65.66748	0.5
67.50642	0.6
79.05499	5.4
80.68573	0.5
86.06550	0.6
91.05472	2.4
93.07030	0.7
98.74284	0.6
105.07003	1.3
107.04955	100.0
107.08562	1.0
109.10139	0.9
119.08583	2.6
120.08095	8.8
130.48561	0.7
133.10078	1.1
134.09624	2.6
135.07988	0.9
135.11694	0.8
145.10063	0.8
149.05971	23.6
157.10066	0.7
161.54729	0.6
173.68504	0.8
180.10188	55.6
185.09627	0.6
185.11351	0.6
185.13113	0.7
191.07056	0.8
194.11761	13.2
209.13275	1.1
210.11247	0.9
240.15720	0.7
283.16867	0.8
568.28967	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08242	0.5
59.84299	0.5
65.66748	0.5
67.50642	0.6
79.05499	5.4
80.68573	0.5
86.06550	0.6
91.05472	2.4
93.07030	0.7
98.74284	0.6
105.07003	1.3
107.04955	100.0
107.08562	1.0
109.10139	0.9
119.08583	2.6
120.08095	8.8
130.48561	0.7
133.10078	1.1
134.09624	2.6
135.07988	0.9
135.11694	0.8
145.10063	0.8
149.05971	23.6
157.10066	0.7
161.54729	0.6
173.68504	0.8
180.10188	55.6
185.09627	0.6
185.11351	0.6
185.13113	0.7
191.07056	0.8
194.11761	13.2
209.13275	1.1
210.11247	0.9
240.15720	0.7
283.16867	0.8
568.28967	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07277	1.3
59.17933	1.5
64.34067	1.6
68.96651	1.6
83.04968	3.1
83.08646	1.6
83.26041	1.7
89.82935	1.9
95.08597	2.1
97.06490	2.5
97.37952	1.6
101.06035	1.6
105.06958	1.6
107.08585	15.5
111.08096	2.4
116.95441	1.6
119.08602	2.6
131.08575	7.4
135.08073	17.2
137.09608	85.6
145.10176	1.9
149.09618	16.6
155.08585	3.0
157.10124	2.6
159.08035	2.1
169.10075	8.2
173.09589	2.4
177.09093	9.7
179.10712	2.5
183.11661	9.0
193.10168	6.0
195.10114	3.5
195.11737	2.4
197.09584	7.7
199.11235	7.9
207.11725	3.0
209.13216	4.1
211.11154	13.1
211.14793	7.4
220.12543	7.6
225.12755	3.6
225.16414	11.4
232.89479	1.7
234.13927	1.7
235.14796	22.0
243.17468	2.4
249.16379	7.3
251.14200	2.6
253.13185	3.1
253.15842	82.3
253.18393	3.5
261.93552	1.7
267.17435	33.9
269.15573	2.4
271.16907	50.9
277.15955	6.0
285.18475	10.9
288.41193	1.8
295.16949	40.9
313.17960	100.0
315.19693	2.8
331.18976	85.7
348.74429	1.8
373.20349	2.0
561.28046	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	568.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91104	1.7
69.07070	3.5
81.07039	3.3
84.70191	2.1
91.05487	5.2
92.17970	2.6
93.07034	9.0
95.04948	3.4
95.08598	2.1
97.06524	4.2
105.07032	9.1
107.08598	10.7
109.06483	5.2
119.08582	14.1
121.06512	4.4
129.45262	2.3
133.10153	15.8
135.08063	41.6
137.05974	3.5
137.09659	2.1
143.08569	4.4
145.05440	3.8
145.06490	63.4
145.10118	3.9
147.08041	9.0
147.11711	4.9
155.08557	3.8
157.10089	4.7
159.11696	8.4
161.09695	3.9
163.07530	100.0
165.09122	4.5
169.10092	3.1
171.11702	14.0
173.13332	2.2
181.10188	3.4
183.11714	13.3
185.13216	2.9
193.10092	3.0
195.11636	4.7
197.13278	14.2
199.11188	9.7
199.14787	3.5
205.08623	14.5
207.11728	12.8
209.13306	4.9
211.11214	3.3
211.14894	2.7
225.12759	10.6
225.16278	3.7
239.14311	5.3
239.17882	19.4
249.16325	9.1
267.17413	47.9
267.58511	2.3
285.18472	20.8
309.13284	22.8
327.19537	50.5
345.20605	3.9
355.92438	2.3
371.22330	4.1
387.21652	10.4
420.05359	2.4
491.26706	10.0
543.41095	2.1
551.28186	2.6
568.31097	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	568.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
62.31480	1.2
65.75795	1.0
67.05503	1.2
69.07067	1.5
74.69389	1.1
79.05513	1.3
81.07059	3.0
88.35428	1.1
91.05479	2.7
93.07043	5.5
95.08594	4.8
97.02885	1.3
97.06557	8.7
105.03391	1.4
105.07020	5.3
106.20614	1.1
107.04925	1.9
107.08570	5.4
109.06510	7.9
109.10126	1.6
110.19150	1.1
111.08055	2.0
119.08586	12.5
121.02850	13.6
121.06484	3.0
121.10117	6.7
123.04398	1.4
123.08092	2.7
128.55559	1.1
129.06984	2.2
130.03105	1.3
131.08577	2.6
133.06487	2.5
133.10123	17.1
135.08054	34.3
137.06003	4.2
137.09622	5.4
143.08554	2.9
145.06485	59.1
145.10094	10.7
147.08031	19.8
147.11656	2.5
155.08565	6.1
155.94977	1.4
157.10123	7.7
159.08089	2.2
159.11665	14.1
161.09531	1.5
163.07529	100.0
165.09100	9.9
167.03340	1.5
169.10098	7.5
171.11661	14.4
173.13234	5.4
181.10098	1.7
183.10182	2.2
183.11655	16.9
185.13321	2.9
193.10150	6.3
195.11678	3.1
197.09573	1.7
197.13239	17.2
199.11208	9.2
199.14792	2.7
201.12709	1.7
205.08600	15.9
207.11752	12.0
209.13252	7.0
210.14110	1.6
211.11192	4.7
211.14821	5.2
220.12413	1.4
223.14793	5.2
225.12764	9.9
225.16411	1.8
234.14059	6.4
239.14284	7.0
239.17928	33.9
241.15874	1.7
243.13789	1.6
249.16370	18.6
252.14952	1.6
257.19064	8.1
267.17435	70.1
285.18463	30.1
309.13300	18.2
309.18607	1.5
327.19525	59.6
345.20569	6.6
371.22131	6.4
387.21725	16.7
431.24142	2.0
432.08124	2.5
447.23639	5.3
491.26401	18.6
536.10596	7.1
568.13171	74.7
568.31146	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	568.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76034	0.6
61.93643	0.6
70.00866	0.6
78.62821	0.6
79.05494	6.7
91.05493	0.9
93.07027	1.3
95.08611	1.3
105.07010	2.4
107.04956	100.0
107.08573	2.5
109.06564	0.8
119.08549	4.7
120.08094	11.9
131.08620	0.7
133.10170	2.3
135.08029	2.3
145.10127	0.9
147.07996	0.8
149.05978	24.6
157.10123	1.2
169.10152	0.8
173.09627	0.8
175.07477	1.3
177.09116	1.5
180.10188	81.4
181.10075	0.7
193.66077	0.8
195.11752	1.5
199.11189	0.9
204.46883	0.6
207.10149	1.5
209.13225	0.7
251.17870	0.8
258.50998	0.7
261.98959	0.7
279.17331	1.3
297.18555	3.7
329.21057	0.7
339.19592	4.6
389.89545	0.7
442.42087	0.7
476.28024	1.2
508.30518	5.9
568.32666	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65176	0.9
68.00299	0.9
79.05496	6.1
93.07014	2.1
95.08595	1.7
105.07032	1.9
107.04956	100.0
107.08599	2.4
119.08589	5.0
120.08112	12.8
131.04962	1.1
133.10065	1.2
139.68130	1.0
145.10179	1.2
147.08173	1.2
149.05969	24.2
157.10100	2.4
159.08110	1.1
161.09631	1.2
175.07483	1.4
180.10191	78.6
194.11781	8.8
197.13307	1.2
207.10138	1.3
297.18494	2.2
315.19592	1.2
339.19632	2.0
357.20233	1.1
371.18729	1.3
431.10696	1.1
449.29236	1.3
508.30621	12.3
512.38147	1.2
568.32697	58.6
595.48206	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	568.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34973	1.0
61.60180	0.9
67.51847	1.0
74.10229	1.3
79.05484	6.0
91.05461	2.2
105.07021	2.1
107.04952	96.9
119.08588	1.8
123.05244	1.2
133.10173	1.6
134.09637	19.3
149.05965	21.8
159.08002	1.5
191.45137	1.2
194.11754	100.0
297.18411	2.2
317.11975	1.3
508.30444	7.2
568.32739	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78097	0.8
58.46796	0.7
70.49736	0.9
72.10685	0.9
76.62543	0.9
79.05503	6.9
87.21419	0.9
88.54980	0.9
91.05466	5.4
93.07025	1.3
95.04948	1.5
95.08638	1.0
105.07014	1.8
107.04952	100.0
107.08620	1.7
109.10154	2.3
119.08595	4.8
120.08073	1.0
121.02871	2.3
121.10117	1.0
123.08067	1.2
123.11736	1.1
132.70123	1.0
134.09654	16.7
137.09613	1.3
143.08524	1.9
149.05963	19.3
157.10101	1.1
158.64677	1.0
180.10176	2.1
194.11755	65.4
210.11253	4.5
214.59081	1.0
260.66998	1.0
323.02798	1.0
325.99963	1.0
333.44385	1.0
381.21957	1.1
433.09265	1.1
536.10925	1.3
550.31390	4.8
568.13196	13.1
568.32727	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	568.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26424	0.7
52.96415	0.8
64.64073	0.8
70.75109	0.8
72.04526	1.1
76.96563	0.9
79.05489	6.2
89.09664	1.0
105.07008	1.9
107.04955	87.5
134.09642	14.8
149.05998	19.6
159.11652	1.4
161.25511	1.1
169.10095	1.1
185.59966	0.9
191.88068	1.0
194.11763	100.0
211.14905	1.3
256.10544	1.0
285.38181	1.0
297.18491	1.9
464.28201	1.5
508.30490	12.3
568.32733	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39947	2.9
57.07089	5.7
70.98710	2.8
71.17004	3.7
79.05502	5.3
81.07053	19.5
91.05473	14.7
93.07052	34.7
95.04971	25.3
95.08592	15.0
97.06525	3.7
97.45441	3.1
105.07044	40.9
107.08584	35.2
109.10180	14.5
117.06997	12.4
119.08569	69.6
120.09367	5.3
121.10129	21.1
123.08063	7.8
129.06912	3.5
131.08549	28.3
132.09357	7.0
133.10147	38.9
135.08040	4.6
135.11708	12.3
142.07806	5.2
143.08539	30.2
144.09372	4.8
145.10107	56.4
146.10869	3.5
147.11674	7.3
151.11203	3.6
155.08527	5.5
156.09402	5.9
157.10123	38.5
158.11023	3.6
159.11658	32.5
161.09616	4.6
166.01299	3.2
169.10126	13.9
170.10849	3.7
171.11646	26.3
173.13239	20.8
175.11224	4.2
177.32367	3.0
180.09264	3.5
181.10138	7.2
182.10921	3.6
183.11647	25.1
185.13205	16.5
187.14890	5.3
193.09915	3.7
195.11703	13.8
196.12558	4.6
197.13242	20.0
198.14015	3.7
199.14777	6.6
207.11705	3.7
209.13248	19.3
211.14799	6.7
213.16357	3.2
237.16371	4.3
338.26135	33.8
356.01889	3.7
430.32513	4.9
476.36395	35.7
550.41614	4.0
568.42804	100.0
568.57135	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	569.1078
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
55.41051	0.4
59.27703	0.4
63.68621	0.4
75.07722	0.4
79.05510	0.4
89.09708	0.4
105.03386	1.8
107.04951	6.5
107.08580	0.4
108.05254	0.8
112.31190	0.4
135.04424	0.7
137.02373	3.6
149.05972	0.8
150.03326	0.4
167.03377	9.9
179.03300	0.5
194.11758	5.9
194.50670	0.4
195.12154	2.7
269.04483	1.9
284.06689	0.6
286.04785	2.0
297.07571	1.5
298.08511	0.5
321.07492	0.8
325.06992	2.6
349.07031	8.7
361.07056	4.1
373.06839	0.6
389.06512	0.5
391.08054	17.8
403.08163	7.3
417.06024	19.6
432.08575	0.5
433.09473	0.7
435.07297	3.2
513.11652	0.9
527.09760	4.3
569.10748	100.0
569.32977	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	569.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.43801	0.4
54.70951	0.3
62.68933	0.4
65.75482	0.4
69.03432	4.6
70.27206	0.4
71.04942	0.4
77.03944	0.5
79.05459	1.7
81.03421	11.0
85.02924	3.5
90.89510	0.4
95.04970	3.2
96.23129	0.4
97.02885	5.5
99.04446	1.0
105.03393	58.5
108.38583	0.4
109.02866	7.0
117.41403	0.4
123.04414	4.4
127.03920	4.3
128.76169	0.4
145.04967	1.0
153.01915	0.5
165.01796	0.4
167.49437	0.4
227.20341	0.4
229.05035	0.5
243.48694	0.5
249.07559	12.5
267.08459	4.0
303.04974	100.0
386.27048	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	569.1443
Annotation	2,3-Dihydro-7,7''-dimethoxyamentoflavone
Peak:m/z	Relative Intensity
50.78080	0.9
59.13881	0.9
63.75558	0.9
67.01856	7.1
68.99795	1.1
91.05449	1.7
91.80975	1.2
92.17909	1.4
95.04939	1.2
105.03394	22.8
105.07034	4.3
107.08539	1.3
110.89378	1.0
119.08568	1.5
121.02855	15.7
121.06482	2.0
121.10136	1.3
123.08104	1.7
129.25513	1.1
133.06499	5.7
135.04398	4.2
137.09546	1.0
147.08083	1.8
151.07533	1.4
161.09654	1.6
167.03391	73.3
180.04355	1.0
183.11743	1.6
185.04436	10.8
195.11806	1.1
225.09050	1.1
263.14355	1.2
268.07352	5.5
275.32169	1.1
281.15457	1.7
309.14648	1.8
311.05579	4.1
327.15958	5.2
345.17239	1.2
387.08737	1.6
387.18054	2.3
403.11761	70.4
403.17148	2.3
429.09528	9.3
537.10962	1.2
569.14301	100.0
569.23151	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	569.1446
Annotation	2,3-Dihydro-7,7''-dimethoxyamentoflavone
Peak:m/z	Relative Intensity
52.11990	0.6
57.55578	0.4
67.01873	6.6
67.05530	0.5
68.99783	0.5
76.48491	0.5
89.57893	0.5
99.04420	0.6
111.04454	1.2
127.80307	0.6
135.04396	7.3
137.00687	0.5
141.05383	0.5
167.03383	69.5
177.05458	0.8
185.04436	16.7
210.38708	0.6
253.04958	0.9
255.02814	1.0
271.05933	0.8
277.94534	0.7
279.03036	1.1
284.06824	4.1
297.03967	3.4
332.74069	0.6
361.10788	0.8
377.10269	0.9
387.08859	0.7
403.11725	81.1
419.06772	0.8
429.09579	10.8
484.97903	0.6
569.14307	100.0
584.33087	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	569.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37052	0.5
92.18436	1.1
113.19346	0.7
123.04175	0.6
124.04946	5.5
131.95932	0.7
141.05208	5.9
156.03885	3.9
169.04736	4.0
171.70964	0.5
176.76672	0.6
177.02371	0.5
185.04189	3.0
204.07556	1.2
241.89227	0.6
285.09470	3.4
295.07809	5.0
312.28076	0.6
313.08890	20.3
329.08496	2.9
331.09927	2.8
353.08139	0.6
371.13077	2.4
387.12408	2.1
407.07468	5.6
437.19333	0.6
569.21967	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	569.2366
Annotation	1beta,2beta-diacetoxy-9alpha-benzoyloxy-6alpha-(3-furoyloxy)-dihydro-beta-agarofuran
Peak:m/z	Relative Intensity
53.74478	1.5
67.05496	1.9
77.03911	1.4
81.70969	1.4
91.05496	2.4
91.74216	1.5
93.07053	3.6
95.04948	3.5
95.08603	1.6
100.01616	1.6
105.03391	33.3
105.07021	9.3
107.04998	1.6
107.08566	1.7
119.08547	2.9
121.06503	6.4
121.10107	1.8
123.08044	1.8
133.06462	6.9
145.06441	1.6
147.08067	2.7
149.05991	3.1
149.09610	3.2
151.07590	2.0
157.10159	2.4
161.09653	3.0
162.67183	1.6
175.07529	2.7
193.10101	2.3
195.11674	3.0
200.36998	1.7
207.11887	1.6
221.13187	1.7
223.11099	1.6
263.14261	2.8
281.11835	1.4
281.15250	2.6
309.14902	6.6
311.12579	2.4
315.09412	1.8
327.15982	6.2
328.12930	1.5
345.16428	1.7
387.18008	5.6
509.21594	2.4
569.23553	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	569.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.44981	1.6
56.60310	1.7
62.79209	1.6
63.50433	2.1
69.03442	2.8
72.90253	1.6
77.03223	1.6
78.79095	1.8
79.05508	7.7
81.03426	2.5
81.07057	3.1
83.04956	2.5
91.05479	9.4
93.07024	10.8
95.04973	18.3
95.08598	8.3
95.20513	1.8
105.03400	100.0
105.04494	4.2
105.07038	26.4
107.04958	7.3
107.08614	13.7
109.06535	7.1
117.07032	3.6
119.08566	9.3
121.06515	14.0
121.10137	12.8
123.08086	13.3
128.93568	1.9
131.08553	8.7
133.06500	22.5
133.10146	7.6
135.08055	9.7
137.09615	3.7
145.06500	3.9
145.10141	8.0
147.08012	13.3
149.05989	9.9
149.09634	11.5
151.07547	9.4
153.00951	1.9
155.08559	2.3
157.10077	2.3
159.08057	8.1
159.11766	2.1
161.06000	2.5
161.09628	9.7
163.07578	2.7
169.10124	3.3
171.08025	2.4
173.09619	3.8
175.07565	3.6
177.09143	4.4
181.10130	3.6
183.08156	2.1
183.11696	3.3
185.09543	2.4
187.11209	2.2
189.09109	2.3
193.10161	4.3
195.11815	7.9
197.09679	7.6
199.11113	2.1
205.10168	3.3
206.11035	2.5
207.11732	2.7
209.09578	3.5
209.13243	4.5
210.10260	2.1
211.11172	10.0
220.12474	3.2
221.13255	4.5
223.11151	6.5
225.12715	3.6
235.14932	3.4
237.12762	3.8
239.10562	3.0
239.14333	2.8
241.12097	2.9
245.13321	2.4
248.11867	2.9
253.15782	3.1
255.13925	2.4
263.14319	10.7
267.13849	2.0
281.15417	11.7
291.13742	7.6
299.16348	3.4
309.14886	15.4
327.15771	18.4
345.17014	7.6
387.18018	9.7
435.60275	2.0
509.21558	7.7
537.19910	2.3
545.02429	2.4
569.24115	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	569.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
58.12725	1.1
59.04495	1.1
69.03426	1.6
69.07063	1.3
71.62709	1.1
71.80584	1.1
73.99013	1.4
77.03937	1.9
79.05483	7.7
81.07073	1.7
91.05456	8.9
93.07040	12.4
95.04973	13.6
95.08598	5.0
105.03394	100.0
105.07018	23.2
107.04940	5.2
107.08620	11.5
109.06525	6.0
109.10175	1.9
117.06992	2.8
119.08580	10.5
121.06490	12.2
121.10140	10.1
123.08027	9.3
131.08551	3.1
133.06497	20.3
133.10112	9.9
135.08086	9.0
137.09590	2.1
140.10493	1.6
143.08563	5.1
145.06500	5.3
145.10182	4.2
147.08069	9.8
149.06010	10.5
149.09641	11.8
151.07530	9.3
155.08574	2.2
157.10143	2.0
158.07088	1.5
159.08047	7.8
161.06006	2.6
161.09656	12.6
167.08501	1.6
169.10091	6.1
171.08057	2.5
171.11749	3.0
173.09552	2.8
175.07532	7.6
175.11150	1.8
177.05478	1.5
177.09145	3.2
178.07816	1.7
179.08540	3.2
181.10150	2.0
183.11691	5.5
185.09662	2.9
187.11198	2.2
189.09155	2.6
193.10161	6.0
195.08093	1.7
195.11740	5.4
196.12436	1.3
197.09631	6.1
197.13275	3.0
198.10402	1.5
199.11188	5.3
206.10837	5.1
207.11797	2.6
208.08887	1.4
209.09634	5.1
209.13199	3.0
211.11198	6.9
211.14752	2.7
213.09276	1.6
219.11668	2.3
220.12505	5.3
221.13249	5.7
222.10481	1.5
223.11147	5.9
223.14841	1.5
224.11974	1.9
225.09129	2.0
225.12794	5.4
227.10770	1.6
227.14229	1.5
233.09615	2.0
235.11060	1.4
235.14882	5.3
237.12787	5.3
239.10658	2.8
239.14296	6.4
241.12225	2.0
248.12032	2.0
249.12605	1.7
251.10599	1.9
251.14569	1.4
253.15897	5.4
255.13618	1.6
263.14307	7.1
267.13800	2.8
271.16733	1.3
281.15399	9.7
291.13934	4.4
299.16528	6.2
309.14737	11.9
327.15945	21.3
345.16953	5.5
369.16882	2.6
387.18011	9.5
509.21695	9.1
569.23981	20.1
586.26166	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	569.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29662	0.9
53.03946	2.8
54.03234	1.0
64.67467	1.3
67.05496	1.8
69.03404	1.3
77.03928	1.9
79.05478	5.8
81.03395	2.7
81.07042	5.3
81.91668	1.2
83.04969	1.5
91.05481	8.5
93.07042	11.3
95.04974	13.7
95.08584	7.6
99.04408	1.4
105.03389	100.0
105.04518	6.7
105.07027	22.7
107.04950	9.4
107.08587	12.3
109.06515	5.0
109.10139	4.8
117.06993	2.5
119.08577	16.4
121.06504	15.8
121.10114	6.2
123.04391	1.6
123.08071	8.3
124.03902	5.3
129.06984	2.3
131.08563	6.5
133.06485	23.3
133.07423	2.3
133.10139	9.5
135.04399	2.9
135.08034	7.3
135.11650	1.1
137.05956	2.0
137.09615	2.2
143.08553	5.9
145.06480	2.7
145.10117	7.0
147.08020	10.8
149.05943	9.1
149.09647	8.9
151.07497	9.4
155.08546	2.8
157.06415	1.3
157.10126	4.7
159.08029	6.5
161.05988	2.2
161.09604	7.4
163.11183	1.3
165.05434	1.5
167.08415	1.4
169.10039	4.4
171.11678	2.8
173.05920	1.5
173.09636	1.3
175.07564	6.8
177.05490	1.9
177.09154	1.8
179.08508	2.1
181.10120	5.3
183.11699	7.4
185.09613	1.3
187.07567	1.7
187.11259	2.9
189.08978	1.8
193.10202	4.4
194.12057	8.6
195.11806	8.3
196.08847	1.4
197.09671	4.6
197.13260	2.2
199.11143	1.7
206.10869	2.3
207.11761	2.7
209.09576	2.3
209.13243	2.9
211.11232	6.9
211.14848	2.1
213.12665	2.0
219.11862	1.6
220.12437	6.2
221.13284	4.7
223.11162	6.1
224.11746	2.1
225.12785	1.8
230.10957	1.8
235.11061	1.7
235.14850	4.8
237.16479	1.5
239.10695	2.4
239.14235	5.0
245.13171	1.6
247.14781	1.6
248.11894	2.2
249.12752	1.9
251.10620	1.6
253.15901	5.1
263.14346	9.2
265.12518	1.4
267.13788	2.1
281.15347	10.4
285.14777	2.0
291.13831	5.6
299.16504	2.6
309.14838	14.7
327.15793	17.7
345.17099	4.6
369.16846	5.5
387.17795	12.5
408.09149	1.3
509.21854	8.9
569.23877	27.2
569.32593	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	569.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.3
59.17778	2.1
59.94545	2.3
64.25111	2.3
67.05495	4.6
73.74017	2.2
79.05481	10.6
81.07066	3.3
91.05494	3.5
93.07023	12.2
95.04955	14.7
95.08598	6.1
105.03396	100.0
105.04459	3.4
105.07041	21.9
107.08590	10.5
109.06509	2.4
109.10130	2.8
119.08563	10.6
121.06492	13.7
121.10144	5.8
123.08073	5.7
129.06970	3.5
131.08594	3.5
133.06499	17.3
133.10133	4.2
135.08057	5.6
137.05988	2.7
143.08508	4.3
145.06488	4.0
145.10121	4.8
147.08051	15.3
149.05954	4.4
149.09610	12.3
151.07553	3.2
156.33112	2.8
157.10081	5.0
161.09602	4.8
167.08368	2.9
169.10117	5.6
173.09665	3.5
175.07542	4.9
177.09041	2.9
179.08592	3.2
181.10240	2.7
183.11783	3.8
193.10158	4.8
195.11624	6.2
197.13152	3.2
199.11130	3.1
207.11777	2.6
211.11163	6.0
220.12592	4.3
221.13199	3.6
222.10286	3.1
223.11304	3.8
224.11961	3.0
225.12770	3.0
235.14720	4.9
239.14272	3.4
251.14247	3.0
263.14255	10.5
265.12030	2.8
267.13763	2.8
281.15375	11.9
291.13721	3.4
299.16287	3.9
309.14893	14.4
326.26398	2.9
327.15900	25.5
345.16882	10.4
387.17871	10.6
452.12228	3.2
509.21689	6.0
569.13977	6.9
569.23553	17.9
569.36725	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	569.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
69.03429	2.8
79.05479	2.8
81.03432	2.8
91.05487	4.4
93.07039	9.3
95.04959	12.4
95.08620	7.0
98.69881	1.8
105.03392	100.0
105.04458	3.4
105.07027	24.3
107.08609	8.1
109.06509	4.3
109.10147	3.2
119.08566	10.3
121.06498	14.0
121.10146	6.5
123.08045	9.4
129.07021	2.1
131.08516	3.7
133.06519	16.5
133.10138	3.8
135.08037	6.6
143.08542	3.5
145.06491	2.3
145.10107	2.5
147.08034	11.9
149.05959	7.5
149.09613	10.0
151.07504	4.0
155.08519	3.4
157.10104	3.5
159.08057	8.2
161.09604	6.8
169.10139	3.3
171.08063	2.8
173.09596	3.0
175.07585	8.0
177.05525	1.8
180.09253	2.4
183.11691	4.0
185.09663	2.4
185.13315	2.0
187.07623	2.1
187.11240	2.5
189.09064	2.1
193.10214	4.3
195.08127	2.0
195.11707	7.2
197.09564	7.4
199.11217	2.6
201.09242	1.9
206.10931	3.6
207.11623	2.5
209.09671	3.2
211.11154	6.7
212.00018	1.8
213.12657	2.1
220.12520	4.1
221.13092	6.1
223.11142	4.1
225.09120	2.6
225.12624	2.0
235.15120	2.0
237.12822	4.2
239.10707	3.4
239.14368	3.3
241.12421	2.3
248.11998	2.8
249.12560	2.3
251.10463	2.1
253.15747	3.6
254.04697	2.0
263.14337	7.6
267.13626	2.7
281.15274	10.3
291.13678	3.5
299.16373	3.0
309.14847	9.9
327.15771	19.1
345.17007	2.8
369.16748	2.4
387.17899	8.3
455.08096	2.2
509.21472	7.1
513.15411	1.9
569.23633	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	569.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.05508	1.3
62.44060	1.3
67.05480	1.7
69.03420	2.6
77.03976	2.0
79.05485	3.5
81.07051	1.8
81.11075	1.6
85.02897	1.9
91.05487	3.7
93.07037	11.3
95.04980	13.7
95.08604	6.6
105.03401	100.0
105.04464	2.6
105.07027	22.3
107.08586	10.3
109.06535	6.7
109.10146	6.8
117.85799	1.6
119.04915	2.1
119.08576	12.6
121.06511	13.8
121.10139	7.1
123.04423	2.0
123.08117	11.9
131.08557	4.1
133.06477	23.1
133.10107	8.9
135.04391	1.9
135.08049	9.1
137.09596	3.0
143.08557	3.5
145.10139	3.5
147.04480	1.8
147.08034	9.7
149.05978	7.2
149.09627	8.7
151.07529	8.6
155.08485	2.5
157.10135	3.0
159.08064	8.8
159.11644	3.2
161.05930	1.9
161.09566	8.4
163.03841	2.6
169.10158	2.3
171.08046	2.3
173.09651	2.0
175.07567	6.9
177.09114	3.9
181.10114	7.0
183.11679	3.6
187.07545	3.4
187.11238	2.3
195.11697	2.9
196.12471	2.0
197.09657	2.4
197.13268	2.9
201.13005	1.9
205.10277	2.3
206.10858	3.8
207.11594	2.8
208.08870	1.9
209.09642	3.3
209.13292	3.5
211.11165	8.3
211.14859	2.1
220.12480	3.7
221.13277	2.6
223.11253	8.4
225.09132	2.5
233.09602	2.1
234.10339	2.3
235.14781	3.0
237.12724	3.1
239.14325	3.0
248.12073	2.6
253.15883	7.5
263.14304	9.1
267.13715	3.3
281.15393	10.1
291.13779	8.5
299.16382	2.1
309.14795	15.7
327.15952	23.6
387.18054	8.2
509.21710	10.3
569.23499	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
69.03437	2.4
69.12985	1.4
70.19999	1.7
70.20410	1.6
79.05470	4.0
81.07050	2.3
91.05483	8.5
93.07034	10.4
95.04951	14.0
95.08593	8.0
105.03396	100.0
105.04474	3.4
105.07072	16.7
107.08599	4.4
109.06488	4.1
109.10141	2.3
117.07052	2.5
119.08573	10.7
119.53471	1.8
120.44395	2.0
121.06509	11.7
121.10130	7.5
123.08070	7.7
124.56100	1.6
125.67860	1.7
131.08571	7.4
133.06482	19.5
133.10104	7.3
135.08070	3.5
137.09654	2.0
143.08591	3.5
145.06529	2.4
145.10129	3.6
147.04379	1.9
147.08081	9.9
149.05994	4.2
149.09616	12.0
151.07602	4.2
155.08566	3.7
157.10136	6.8
159.08058	7.8
161.09596	7.8
163.07544	2.2
165.06827	2.6
169.10184	3.0
173.09760	3.3
175.07544	4.0
177.09174	2.1
178.07561	2.0
179.08553	2.7
181.10248	1.8
187.07611	2.1
193.10173	2.4
194.10910	2.7
195.11646	3.0
197.09619	2.1
197.13248	2.3
209.13124	4.0
211.11334	2.7
217.10422	1.9
220.12486	7.5
223.11224	7.8
223.79327	2.0
225.09102	2.3
230.10840	2.0
233.09644	2.4
235.14810	2.8
248.12045	2.6
251.10677	2.2
253.16000	3.1
263.14328	8.6
267.13843	2.1
279.13531	2.9
281.15363	9.9
291.13770	3.3
299.16409	3.1
309.14883	16.8
327.15802	22.1
343.01123	1.7
345.16940	4.3
378.12717	2.1
387.17847	8.2
398.55334	2.1
439.20123	2.0
490.24481	2.0
509.21567	11.1
569.23761	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
63.99433	1.5
67.05502	2.8
69.03410	2.6
77.03911	2.5
79.05476	3.3
81.03364	2.2
81.07071	3.3
81.66476	1.7
83.97654	1.8
86.09705	3.6
91.05479	9.8
93.07049	10.2
95.04961	10.1
95.08622	3.3
98.06078	2.0
105.03398	100.0
105.04523	6.8
105.07024	15.4
107.04985	2.5
107.08571	8.6
108.89372	1.7
109.06496	6.5
119.08576	9.7
121.06512	10.5
121.10142	7.5
123.08054	7.3
131.08568	8.8
133.06511	18.5
133.10129	8.6
135.08063	7.1
143.08594	3.4
145.06473	3.6
145.10176	3.8
147.08025	6.7
149.05994	6.8
149.09605	8.2
151.07529	8.6
155.08571	2.6
157.10112	3.6
159.08032	7.3
161.05933	2.4
161.09645	6.4
163.07567	4.1
167.08482	2.5
169.10155	3.9
173.09550	2.7
174.95181	1.7
175.07562	7.1
177.09085	3.3
179.07083	2.2
179.08565	1.9
181.10094	2.8
183.11774	4.9
187.07576	2.2
187.11234	2.0
193.10202	2.5
195.11658	7.3
197.13219	2.4
206.10907	2.1
207.11679	3.0
209.13246	3.2
211.11185	3.3
211.14789	2.0
213.12436	1.9
220.12460	2.3
221.13278	2.5
223.11240	3.2
225.09033	1.8
230.10909	2.1
235.14754	4.1
237.12767	2.6
239.14368	2.4
248.11903	2.6
252.11465	2.0
253.16095	2.2
263.14316	3.0
265.12347	2.1
269.11642	1.8
281.15466	10.1
291.13898	3.2
299.16150	2.1
309.14993	16.1
327.15857	17.0
345.17010	4.1
361.14020	1.8
369.16962	3.3
387.18124	6.5
509.21677	8.3
554.71716	1.9
569.23688	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.2
81.07057	4.0
83.04967	2.8
91.05469	5.8
93.07008	10.2
95.04955	13.3
95.08592	11.9
105.03392	100.0
105.04456	4.3
105.07040	22.4
107.08540	10.7
109.06525	2.8
111.90159	2.8
112.01003	3.1
119.08604	12.3
121.06478	7.0
123.08075	4.6
129.06978	3.9
131.08525	4.2
133.06459	15.9
133.10110	18.9
135.08049	6.6
137.05901	3.3
143.08519	5.5
145.06482	5.3
145.10060	2.8
147.41403	3.0
149.06049	5.2
149.09587	6.3
155.08614	3.0
157.10048	3.3
159.07939	3.1
161.05869	3.2
161.09630	13.8
169.10152	4.4
171.11749	4.6
175.11359	3.4
179.08586	3.4
181.10075	4.0
183.11736	4.2
185.09637	3.4
193.10187	4.7
195.11705	10.8
197.09554	3.3
199.11122	5.3
205.10068	3.1
207.11826	4.4
209.09688	4.9
209.13309	4.7
211.11171	13.5
213.09079	4.5
213.12825	3.3
220.12541	4.5
221.09604	3.0
221.13165	3.6
222.10286	3.5
223.11156	5.3
223.14629	3.3
224.11923	4.7
225.09027	3.7
225.12694	4.1
225.16292	3.7
230.01823	2.9
235.14822	9.8
237.12726	5.0
239.10748	3.6
239.14264	4.5
251.14470	4.0
253.15875	11.2
255.13795	3.5
263.14246	11.9
265.12177	5.0
267.13748	3.9
269.11862	3.8
281.15302	15.3
291.13782	11.5
299.16446	3.5
309.14926	21.6
309.65155	3.7
327.15802	26.4
369.17007	11.5
387.18027	12.3
509.21585	20.8
515.08453	3.6
569.24695	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	569.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.97792	1.2
69.03420	2.5
73.68793	1.2
79.05471	3.5
81.03417	13.1
85.02900	2.6
85.83926	1.4
91.02874	1.6
91.05456	8.1
93.07024	8.0
95.04974	3.4
95.08575	1.7
97.02879	6.1
105.03389	62.4
105.04462	2.4
105.07011	12.3
107.04947	22.1
107.08566	6.4
108.05297	6.6
109.02891	5.7
116.25718	1.3
117.06986	2.6
119.04893	2.9
119.08563	8.9
121.06470	2.6
121.10118	2.1
123.04393	9.0
127.03899	6.4
131.08559	6.9
133.06497	6.4
133.10139	12.1
134.09642	1.9
135.08051	1.7
143.08556	6.7
145.04947	1.6
145.06502	6.2
145.10104	31.0
147.04315	2.3
147.08020	3.2
149.05963	26.7
150.36584	1.5
157.10092	3.5
161.09595	8.9
162.81880	1.7
163.11185	6.7
165.09041	1.7
169.10109	5.5
171.11662	2.3
173.09624	2.3
181.10156	3.4
193.10188	1.9
194.11787	18.6
195.11841	15.8
196.09587	1.6
197.09784	2.7
205.12180	2.1
209.09729	2.0
209.13297	1.9
217.10085	3.0
219.11679	2.6
221.13185	2.2
223.11122	1.6
223.14690	1.8
227.10591	1.8
232.12454	7.4
237.09138	1.8
237.16374	6.0
247.14766	6.3
249.07507	14.4
249.12617	2.3
250.13708	1.6
260.11835	2.5
265.15808	10.9
275.14343	7.4
278.12845	1.9
283.16870	3.5
293.15231	16.1
303.04944	100.0
311.16467	12.0
326.55353	1.6
344.51645	1.4
353.17438	12.9
371.18417	3.1
378.94110	1.6
403.98315	1.8
413.19568	8.3
431.20514	2.3
453.34079	1.6
509.31168	1.9
569.24664	2.2
569.32574	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	569.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.5
55.05507	4.5
57.03412	6.5
57.60162	4.4
57.63824	4.3
58.70741	4.5
62.76365	4.7
64.46684	5.4
67.05497	13.3
69.03415	20.3
69.07057	9.8
73.60712	4.9
79.05489	19.8
80.22708	4.7
81.03407	6.6
81.07053	21.4
90.93100	5.4
91.05473	31.9
93.07032	57.5
95.04937	23.1
95.08595	28.7
97.02878	11.3
103.54092	5.2
105.07012	86.9
107.04948	25.9
107.08581	55.8
108.42831	5.0
109.06493	28.6
109.10140	12.1
117.07002	10.6
119.08563	37.9
121.06503	61.4
121.10132	49.4
123.04484	7.0
123.08044	39.8
129.06963	9.3
131.08533	41.8
133.06509	61.9
133.10115	78.6
134.12662	5.3
135.04414	12.0
135.08043	45.5
135.11647	9.1
137.05962	13.4
137.09599	12.0
143.08539	45.1
145.06421	18.7
145.10121	65.8
147.08020	36.3
147.11688	6.8
149.05981	32.3
149.09631	31.1
151.07530	22.8
151.11240	9.5
155.08543	27.4
157.06342	8.9
157.10098	36.8
159.08047	31.5
159.11729	12.5
161.09621	46.5
163.11209	26.5
167.08498	8.6
169.10136	10.9
171.08035	10.1
171.11661	34.5
173.06117	6.3
173.09601	25.2
173.13200	7.3
175.07465	8.9
175.11156	6.0
177.09135	8.6
179.08492	11.6
181.10081	29.1
183.11633	19.3
185.09608	11.8
185.13182	11.0
187.11256	6.6
189.09036	6.2
189.12671	10.7
192.09288	7.1
193.10135	32.1
194.10890	6.2
195.11691	45.3
195.52307	6.8
197.09569	21.1
197.13260	22.5
199.11145	28.7
201.12717	7.0
206.10925	8.9
207.11720	35.2
208.08784	8.1
208.12454	20.1
209.09607	24.1
209.13223	24.9
211.11166	26.9
211.14952	8.7
213.12782	11.0
217.10043	13.0
219.11688	10.1
221.13202	22.4
222.13954	6.4
223.11212	29.2
223.14774	23.0
225.12718	23.7
227.10646	6.6
227.14330	8.7
229.12402	7.4
231.11760	7.7
232.12442	35.9
233.13303	10.1
235.11139	12.1
237.12685	9.3
237.16400	25.9
239.14317	13.5
241.15916	8.8
247.14767	38.6
249.12598	22.2
251.14301	8.8
253.12035	7.7
255.17465	6.7
260.12009	11.0
265.15790	46.9
269.15399	13.3
277.26135	6.6
281.15253	7.5
283.16934	33.9
285.14774	6.7
287.16394	48.3
293.15347	51.2
311.16403	100.0
329.17407	68.9
347.18591	6.4
371.18399	23.7
382.80377	7.1
389.19470	35.1
449.21570	28.2
569.25549	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3088
Annotation	5-Oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
50.40688	0.4
57.01453	0.5
67.05508	2.5
79.05492	2.6
81.07047	2.3
83.01090	3.2
91.05452	3.7
92.17895	0.9
92.97581	0.6
93.07032	7.5
95.04953	3.4
95.08598	3.4
105.07020	5.5
107.04960	0.7
107.08593	4.0
109.10155	2.5
117.07004	4.2
118.88273	0.5
119.08572	11.8
121.10138	3.3
125.05701	0.8
129.07021	0.6
130.07770	1.0
131.08586	3.9
133.10124	22.5
135.08069	3.2
135.11656	0.8
135.99208	0.5
137.09578	0.8
143.08514	3.7
145.10115	16.7
147.11633	5.8
155.08411	0.5
157.10123	4.5
159.11678	2.8
163.11160	3.0
169.10159	2.1
171.11678	5.6
173.13283	1.0
181.10136	1.1
183.11693	2.7
185.13213	2.1
194.10870	0.7
195.11703	2.6
197.13428	0.7
209.13254	3.6
215.91106	0.6
223.14778	3.9
227.14493	0.5
235.14799	0.7
237.16345	0.8
239.31726	0.5
250.17188	0.7
265.19568	2.5
318.85239	0.5
318.96570	0.5
347.19907	1.0
389.24606	2.5
407.25797	1.1
449.26556	1.2
509.28470	2.2
569.30817	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	569.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.6
67.05493	43.1
68.16489	10.2
69.07067	100.0
70.87087	11.3
75.85199	9.6
79.05493	18.2
81.07056	63.2
83.08622	58.2
92.17898	37.3
93.82550	11.2
95.08603	73.0
97.06516	10.2
97.10152	89.9
105.06990	16.4
105.25701	10.6
107.08575	11.5
109.10141	40.2
111.11729	15.4
119.08588	13.5
121.10103	21.8
123.11647	15.0
133.10104	22.3
135.11674	19.1
147.11690	13.7
149.13258	11.0
151.11136	10.7
217.19443	18.3
218.52184	10.7
235.20622	43.0
253.21593	77.7
254.33565	11.5
271.22653	20.0
272.79980	11.1
281.24817	48.8
299.25766	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	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.8
81.03397	0.5
85.02901	2.9
94.04163	0.4
97.02868	0.8
106.02885	0.7
108.99104	0.6
109.02847	0.4
119.08549	0.8
122.03651	1.0
123.04465	0.8
124.03960	0.5
127.03905	0.5
137.05975	100.0
153.05461	2.2
165.05475	0.8
171.16524	0.5
173.06018	2.1
179.10808	0.5
187.07454	1.0
191.07056	3.9
203.06972	0.6
231.06657	0.6
244.34523	0.4
247.04094	0.4
249.07549	9.7
249.75519	0.4
253.08591	0.8
295.09552	0.5
345.64536	0.5
355.11731	1.6
373.12799	14.5
409.54828	0.5
418.07455	0.6
540.18060	0.7
570.20557	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	570.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
58.99573	4.5
67.05520	5.5
76.02232	9.3
79.05508	8.3
81.03415	5.4
81.07030	5.8
82.10913	4.0
85.08757	4.7
88.45522	4.6
91.05481	9.0
91.69062	4.7
92.18480	7.3
93.07027	10.4
95.04961	18.9
95.08592	17.4
105.07021	27.0
107.04962	50.0
107.08612	8.3
109.02881	10.4
109.06499	6.1
109.10135	7.1
117.06992	4.5
119.08562	17.6
121.06504	5.9
121.10114	9.1
122.02728	92.0
123.04411	5.0
123.08076	7.0
129.06987	7.4
131.08556	10.4
133.06464	6.1
133.10170	16.1
135.04427	7.4
135.08047	7.4
137.09650	5.1
143.08559	20.2
145.06416	6.3
145.10141	10.5
147.08012	4.5
149.05998	8.0
149.09663	4.1
157.10143	9.7
159.07991	6.7
159.11603	7.3
161.09593	7.4
167.08525	5.7
171.08092	5.9
173.05800	5.1
173.09671	5.1
175.07556	6.0
180.10176	24.6
181.10114	10.6
183.08138	4.4
183.11566	8.2
185.09532	5.6
185.13203	6.8
193.10101	8.9
195.08147	7.3
195.11755	9.0
197.09564	7.5
197.13252	5.9
199.11174	8.4
207.11639	6.9
209.09605	4.8
211.11290	4.4
213.12802	5.3
220.69534	4.5
223.11148	5.4
230.04858	8.0
265.15775	5.5
267.30466	4.5
268.54114	5.0
275.14331	5.3
282.41321	5.1
293.15503	20.4
311.16342	29.8
343.13632	26.6
361.14804	17.8
364.42343	4.6
414.17438	7.4
432.18390	100.0
450.19476	81.6
492.20358	17.8
510.21411	55.4
570.28839	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	570.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89466	2.3
55.05517	3.3
58.69720	1.8
67.05482	2.8
68.17768	2.2
79.05508	17.2
81.07079	5.1
83.01337	5.0
83.04972	12.1
91.05467	15.3
92.25496	2.5
93.07024	5.8
95.04957	11.1
95.08582	11.1
97.02867	5.3
97.06526	2.5
97.43723	2.3
99.04456	3.1
102.19328	2.1
105.07027	17.8
107.04952	100.0
107.08597	18.9
109.06501	5.1
111.04465	21.7
111.05100	2.4
117.07054	3.1
119.08576	20.6
121.06506	15.5
121.10142	18.5
123.08068	3.0
123.11697	3.1
124.03761	2.4
129.07097	3.0
131.08577	4.3
133.06500	9.4
133.10107	20.1
134.09654	10.9
135.04417	4.0
135.08047	10.7
135.11662	10.4
137.05966	3.2
137.09587	4.7
143.08568	9.1
143.17206	2.5
145.06491	3.9
145.10112	11.8
147.08026	16.4
147.11694	2.9
149.05983	27.5
149.09634	11.9
151.01591	2.4
151.11162	3.4
153.05453	9.7
157.10129	14.4
159.07970	4.1
159.11681	15.7
161.06071	2.6
161.09575	5.1
163.07494	5.0
163.11177	2.6
169.10178	3.6
171.08020	2.4
171.11674	11.7
173.09579	4.7
173.13269	9.8
175.11143	4.1
177.09070	4.3
177.12794	3.1
181.10240	2.5
182.10973	2.5
183.11703	9.3
183.84236	2.3
185.09689	4.4
185.13260	8.7
187.11182	10.7
187.14888	3.3
189.12823	4.1
193.10158	5.3
194.11766	92.5
195.11739	10.6
197.09729	3.3
197.13255	16.9
199.11115	2.9
201.12772	11.3
205.12209	11.0
207.11732	2.7
209.13205	3.1
211.11137	5.1
211.14819	4.0
213.12688	4.5
215.14267	5.2
217.12300	3.8
217.15977	2.5
223.14684	3.2
225.09048	2.4
225.12741	5.8
231.13702	9.5
267.17438	5.3
277.15866	2.8
285.18668	3.8
295.16910	18.8
313.17975	55.7
331.19080	5.7
355.18842	17.7
373.20065	44.9
415.21121	15.3
433.22131	32.1
451.23059	4.6
510.32288	22.5
570.34241	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	570.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51384	1.4
58.85675	1.8
91.05452	1.9
105.07046	3.3
107.04945	2.5
120.99529	1.6
121.00977	1.9
121.06510	3.9
133.06430	2.8
135.08051	1.7
136.37303	1.8
145.06384	2.1
149.05983	1.9
149.09686	2.3
155.08549	2.1
157.10030	1.8
159.08017	6.6
161.09590	2.8
169.10063	2.7
171.08020	2.6
173.09583	4.3
181.10089	3.3
183.11627	3.9
185.09572	2.3
195.11668	3.0
197.09610	3.9
199.11166	9.8
209.09651	2.2
210.10396	4.2
211.11174	9.2
213.12671	2.6
223.11095	13.5
225.12767	13.3
227.10548	6.3
241.12245	7.4
251.14465	2.2
253.12189	3.6
265.15799	3.5
271.13220	3.3
293.15247	2.8
306.54156	1.9
311.16364	6.9
313.79791	1.8
329.17447	3.0
331.15363	100.0
371.18341	2.9
389.19516	2.5
449.21536	17.3
491.22778	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	570.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	5.8
83.01331	5.3
86.09693	29.7
91.05468	10.1
93.07046	9.5
95.05010	8.4
97.06502	6.3
99.59279	6.0
104.10744	65.8
105.07028	27.0
107.04949	11.3
107.08581	9.9
107.90471	5.5
109.06509	9.1
109.10153	6.0
111.04405	10.6
119.08560	11.1
119.53940	5.8
121.06498	7.9
121.10103	30.6
123.11720	8.1
125.00014	6.7
127.84716	5.8
133.06474	7.4
133.10101	26.8
135.08018	14.6
137.05951	14.2
143.08606	8.8
145.10089	8.3
147.08066	11.8
159.08089	6.6
159.11632	8.9
161.09441	6.9
165.12628	5.8
171.11620	21.3
173.09605	8.0
173.13277	12.4
181.10229	7.7
183.11740	9.6
184.07317	100.0
187.11092	6.9
195.11726	8.0
197.13298	8.5
199.11081	7.3
211.11276	9.2
211.14845	6.4
212.24881	6.7
214.62260	6.2
217.12180	8.8
229.76779	5.9
257.15253	7.3
267.17361	10.2
285.18466	24.7
295.16925	37.4
313.17953	86.5
331.19186	12.3
355.19031	50.4
369.86917	6.9
373.20062	36.1
391.21005	11.4
415.21155	9.9
433.22412	22.6
445.68701	6.7
475.23264	7.3
570.33826	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60233	2.9
55.05497	4.5
62.86587	3.0
64.88733	3.8
69.03422	4.5
79.02021	3.2
79.05477	16.0
80.85637	3.8
81.07045	13.9
83.01342	12.7
83.04973	18.9
88.14289	3.1
91.05466	17.3
91.66006	3.7
93.07019	15.0
95.04935	15.7
95.08597	4.7
97.02889	13.1
99.04448	3.7
103.80397	3.8
105.07014	23.5
107.04955	100.0
107.08580	21.5
109.06525	7.0
109.10148	6.5
111.04427	25.5
119.08576	22.4
121.06469	16.1
121.10126	19.5
123.08047	7.8
123.11636	4.5
126.09696	3.5
131.08559	6.3
133.10110	33.7
134.09639	6.7
135.04408	4.8
135.08054	13.5
135.11667	12.9
137.09634	7.6
143.08582	12.8
145.10127	14.8
147.08064	18.5
147.11674	7.9
149.05960	30.1
149.09608	18.4
149.80937	3.5
151.07573	4.1
153.05432	6.6
155.08578	6.0
157.10120	22.2
159.08014	5.7
159.11711	19.7
161.09578	18.2
163.07513	14.4
169.23888	3.7
171.11652	14.9
173.09563	6.0
173.13234	16.1
175.07535	5.0
175.11250	5.0
177.09021	5.0
183.11671	16.5
187.11171	6.7
189.09048	4.7
194.11760	95.8
195.11656	5.4
197.09665	3.5
197.13283	20.1
199.11075	4.4
199.14970	4.2
199.16826	4.3
201.12711	7.0
203.14172	3.5
205.12260	21.8
207.11696	5.9
211.11139	6.0
211.14813	4.5
212.94482	3.6
213.12677	5.5
215.10637	6.7
215.14276	5.2
217.15758	4.0
235.43001	3.5
239.17891	4.6
247.43924	3.5
267.17490	5.2
277.18610	3.9
285.18530	14.1
295.17014	26.7
313.17963	70.7
331.19006	18.3
355.18973	34.0
373.20020	61.5
415.21231	15.2
433.22287	42.2
451.23364	7.2
510.32574	23.7
570.34680	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	570.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13345	3.9
60.35411	4.3
60.82770	4.9
67.05495	5.9
69.03421	7.5
79.05479	20.3
81.07055	11.4
83.01346	8.2
83.04993	19.0
85.68736	5.2
90.69829	4.9
91.05441	24.8
93.07034	11.9
95.04986	7.9
95.08604	8.0
105.07020	26.9
107.04957	86.3
107.08567	22.6
108.05239	21.6
111.04421	40.9
119.08561	20.6
121.06452	11.8
121.10143	25.6
123.08021	9.2
123.11710	6.5
129.06949	6.6
131.08543	18.6
133.06461	7.5
133.10156	38.9
134.09705	8.2
135.08028	22.7
135.11671	11.4
137.05991	7.3
137.09616	20.8
143.08549	9.9
145.10149	22.0
147.08070	8.1
149.05988	20.6
149.09621	28.3
150.06468	6.7
157.10104	10.8
159.08023	20.4
159.11725	11.3
161.05910	6.6
161.09631	18.5
163.07527	10.6
169.10118	7.2
171.08011	5.2
171.11633	17.8
173.13261	8.6
173.78159	5.1
177.09180	7.7
177.12799	8.8
180.10181	23.4
181.10475	22.0
182.10886	7.9
183.11673	12.1
185.13329	6.4
187.11165	22.6
187.14783	5.9
189.12752	5.5
191.06955	5.7
193.10266	5.4
194.11809	20.4
195.11736	10.2
197.09583	9.6
197.13283	23.2
199.11166	7.4
201.12679	10.7
205.12283	11.5
207.11705	5.6
210.11205	11.7
211.11076	6.4
213.12746	8.1
215.10767	8.9
221.18375	4.8
235.14961	5.6
267.17416	8.7
295.16910	26.8
313.17920	100.0
331.18994	69.8
331.22464	6.7
355.18912	25.3
373.20218	35.1
391.21005	12.0
433.22119	38.7
451.23035	26.1
510.31372	9.2
570.10938	9.1
570.34058	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	570.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55141	1.0
62.55485	1.3
69.51064	1.3
71.17879	1.2
76.96492	1.1
79.05493	6.7
83.96626	1.2
85.30858	1.1
107.04951	100.0
120.08080	9.1
135.08047	2.1
137.05991	6.9
139.19685	1.1
149.05952	28.7
165.05482	7.2
180.10182	99.9
203.07082	1.9
216.59344	1.5
264.87701	1.3
292.11865	6.3
368.69092	1.5
549.64301	1.6
570.30896	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	570.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86671	0.6
65.92045	0.6
67.05519	0.6
69.03422	0.7
69.07059	0.6
81.07058	1.0
91.05477	100.0
93.07029	2.5
95.08595	3.3
103.05441	1.4
105.07023	3.2
105.23904	0.6
107.04935	3.7
107.08597	4.3
109.10146	0.7
111.08035	0.7
119.04936	17.1
119.08564	5.3
120.08097	46.8
121.10111	1.2
131.08580	1.2
133.10141	2.4
135.04411	2.5
135.08072	4.7
135.11678	3.1
137.09648	0.7
139.04721	0.6
143.08548	1.5
145.10127	2.4
147.08028	1.0
149.09644	0.9
151.07561	1.1
157.10107	1.4
159.11659	0.8
161.09648	1.3
163.11153	1.0
165.05467	1.1
171.11717	1.2
180.10210	1.2
183.11674	0.9
193.08528	1.0
195.11739	0.8
196.09682	94.0
197.13248	0.9
207.11728	1.4
209.13246	1.1
211.14876	0.8
221.13217	0.9
253.15849	0.8
297.18448	3.0
339.19501	1.5
365.74033	0.7
408.07864	3.6
465.72147	1.0
492.27292	3.1
510.28519	2.9
519.30219	0.7
570.30615	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68085	1.2
76.89244	1.3
79.05479	6.2
79.34719	1.3
88.44317	1.3
92.18459	1.6
93.07046	1.6
105.07041	2.4
106.02932	2.5
107.04950	100.0
119.08548	3.2
120.08121	12.1
124.03939	7.4
131.08574	1.7
148.39989	1.5
149.05991	30.1
159.08029	14.3
175.07660	1.4
180.10173	93.4
181.33412	1.4
206.62860	1.6
206.64651	1.4
238.15277	1.5
268.08182	2.9
303.04813	11.6
331.19016	1.8
492.27463	6.1
510.28525	7.1
552.29395	8.9
570.30542	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	570.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83425	1.3
58.86967	1.4
79.18232	1.3
81.07056	1.7
91.05475	100.0
95.08591	1.7
105.07012	5.5
107.04979	1.4
107.08589	2.6
119.04935	17.0
119.08569	7.5
120.07230	1.6
120.08092	47.0
129.81445	1.4
133.10110	2.8
135.04445	6.0
135.50935	1.7
157.10138	2.9
165.05594	1.5
177.09123	1.7
185.13228	1.6
196.09691	90.4
260.63824	1.6
297.18671	2.3
366.38565	1.5
398.31870	1.5
421.83618	1.4
492.27524	2.7
510.28473	3.0
570.30627	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86301	0.5
67.78065	0.5
73.21983	0.6
79.05495	0.8
81.07056	1.2
91.05482	85.9
93.07050	3.3
95.08592	3.1
103.05465	1.3
105.07045	4.6
107.04954	2.4
107.08576	3.1
109.06491	0.7
109.10161	1.0
112.47046	0.6
118.29822	0.7
119.04938	12.5
119.08584	5.3
120.08103	41.4
121.06470	1.1
121.10131	1.4
129.07002	0.6
131.08559	3.6
131.09476	0.5
133.10172	4.4
135.08023	0.7
137.05927	0.8
137.09654	1.3
143.08542	1.2
145.10114	3.2
147.08063	1.3
155.85103	0.6
157.10132	3.0
159.08089	0.8
159.11664	2.4
161.09778	0.7
169.10046	2.3
171.11775	1.0
173.09656	0.9
173.13091	0.6
180.10207	0.8
183.11710	1.2
185.13248	0.9
194.11040	0.6
195.11702	1.2
196.09692	100.0
197.13322	0.9
209.13226	1.0
211.14806	2.7
221.13396	0.6
223.14925	0.6
269.18994	1.0
297.18445	5.7
315.19550	2.4
492.27686	2.4
510.28485	10.1
570.30542	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17787	0.7
55.93733	0.8
74.40569	0.7
75.47565	0.7
81.07059	1.5
87.93613	0.7
91.05479	100.0
91.53844	0.7
93.07039	1.9
95.08590	1.3
103.05487	1.5
105.07025	3.9
107.04980	1.8
107.08559	3.0
115.57056	0.8
119.04941	16.9
119.08578	6.7
120.08098	42.9
121.06478	1.1
121.10083	1.2
123.08031	0.9
131.08614	0.8
133.10143	1.4
135.04398	1.4
135.08032	1.8
135.11685	3.2
143.08525	1.1
145.10188	1.2
147.08058	1.0
149.09583	0.8
157.10229	1.1
161.09668	1.1
169.10118	1.3
171.11708	1.1
180.10265	1.1
183.11697	1.2
193.10141	0.9
194.87236	0.8
196.09686	82.0
197.13412	1.0
211.14810	0.9
243.16937	0.8
251.17836	1.2
256.14612	1.0
274.04745	0.9
386.61890	0.8
408.07892	1.1
440.02179	0.9
510.28516	3.5
562.72583	0.9
570.30615	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05504	0.6
81.07072	1.2
81.51190	0.5
83.68941	0.5
91.05479	87.4
93.07056	4.8
95.08602	2.6
103.05491	1.9
105.07005	3.1
107.04947	2.3
107.08589	3.1
109.10147	1.3
109.71915	0.6
117.07035	1.0
119.04942	13.3
119.08566	6.3
119.46147	0.5
120.08100	39.1
121.06498	0.9
121.10126	3.2
131.08560	3.3
133.06551	0.7
133.10117	5.7
135.08025	1.3
135.11722	0.7
143.08575	1.0
145.10098	3.0
155.08624	1.0
157.10130	3.5
159.11655	1.1
161.09624	1.1
163.11275	0.6
165.09137	0.8
169.10121	3.6
171.11714	2.2
173.09521	0.8
177.09143	0.8
180.10197	0.6
183.11685	2.3
185.13258	0.9
187.11223	0.8
195.11726	1.4
196.09686	100.0
197.13306	0.9
209.13297	1.3
211.14809	2.5
237.13011	0.7
239.14288	0.8
269.18973	0.8
293.33972	0.6
297.18515	5.2
315.19391	0.9
316.22839	0.5
327.65265	0.6
492.27350	1.2
510.28412	9.8
570.30652	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79142	3.0
69.07048	3.4
73.61965	3.3
78.65527	3.1
79.05481	3.7
81.07070	5.8
83.04956	4.2
91.04914	3.1
91.05447	23.7
93.07034	8.0
95.04978	4.3
95.08609	13.1
99.04454	6.7
105.07040	21.6
107.08582	23.6
107.45004	3.5
109.06524	15.1
109.10143	7.5
111.08073	17.3
112.10892	3.4
114.56544	3.1
119.04935	3.8
119.08582	40.5
121.06503	5.2
121.10159	27.1
123.08048	18.5
125.09657	4.9
133.10104	28.6
135.08072	6.2
135.11679	7.3
137.09648	7.5
139.07549	8.2
143.08545	8.3
145.10123	22.4
147.08029	4.3
147.11751	4.4
149.09595	4.2
153.16435	3.3
157.10129	21.4
159.11716	16.0
161.09573	13.4
163.11211	12.2
169.10109	16.9
171.11636	8.1
173.09547	4.5
181.10207	3.9
181.12234	6.6
183.11710	7.5
185.09625	3.7
185.13235	37.0
187.11069	4.4
197.13307	6.7
199.11230	4.4
209.13194	7.0
210.11267	28.6
211.14893	24.3
215.14406	3.9
221.13278	15.3
225.16373	8.1
227.14374	4.8
229.15871	15.3
239.14278	13.0
255.17499	4.8
257.15332	18.8
269.19019	15.2
271.16998	4.3
287.19965	6.9
297.18530	21.2
315.19531	100.0
317.17316	3.6
333.20621	20.4
375.21561	22.9
521.88312	4.1
570.33899	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	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10199	1.2
65.78178	1.5
73.97732	1.3
76.41324	1.3
79.05501	1.6
91.05482	63.9
93.07019	1.7
94.53470	1.4
95.08595	2.0
96.06441	1.2
100.62855	1.3
105.07018	5.5
105.44142	1.3
107.04947	9.0
107.08594	5.6
109.10114	1.8
119.04939	11.2
119.08575	6.8
121.10135	2.0
124.39799	1.3
133.10117	2.7
134.09639	13.2
135.08047	1.5
135.11739	2.4
139.44897	1.6
143.08534	1.6
145.10112	2.6
147.11655	2.2
149.05986	2.2
155.08551	1.7
167.03355	1.9
167.08818	1.4
169.10065	1.9
171.11708	2.0
183.11728	2.2
194.11829	10.3
197.13458	1.8
201.16557	1.4
210.11243	100.0
223.14778	1.6
257.18845	2.1
265.19669	2.0
283.20709	1.4
404.12033	1.7
570.14380	6.2
570.34308	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	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94281	0.8
55.91898	0.8
56.78242	0.9
58.59441	0.8
67.05495	3.7
68.59560	0.9
69.03416	0.9
69.07069	1.2
79.05502	9.1
81.07045	5.0
83.01356	1.2
83.04979	1.2
91.05478	5.7
93.07047	7.3
95.04957	4.8
95.08598	6.6
97.06512	1.3
105.07034	9.5
107.04946	77.4
107.08590	8.6
109.06527	7.5
109.10155	5.2
111.04405	1.9
111.08044	1.0
117.06998	2.0
119.04943	1.0
119.08571	8.1
121.06507	3.7
121.10097	7.0
123.08065	4.2
123.11659	1.4
129.07018	1.1
131.08519	4.1
133.06470	1.4
133.10118	8.4
134.09671	1.8
135.08049	4.6
135.11697	4.9
137.05951	1.5
137.09599	2.1
143.08563	4.9
145.06427	1.5
145.10086	7.1
147.08080	3.5
147.11671	1.9
149.05981	17.6
149.09642	4.3
151.07478	1.5
151.11143	1.1
155.08542	4.2
157.10121	5.5
159.08031	1.9
159.11697	8.1
161.09616	4.7
161.13277	1.4
163.07484	1.7
163.93942	0.9
169.10094	5.5
171.11682	5.2
173.09532	1.7
173.13252	3.6
175.07532	1.7
175.11096	1.4
177.12761	1.2
179.10814	1.0
181.10159	1.8
183.11688	5.1
185.13246	3.4
187.11189	2.1
189.09056	1.5
189.12762	1.1
193.08536	1.3
193.10152	1.4
194.11755	100.0
195.11961	4.5
196.12349	1.3
197.13309	4.2
199.11206	3.4
201.12704	1.3
207.11650	1.5
209.13217	1.6
210.11273	1.4
211.11115	1.9
211.14806	3.8
211.67795	1.1
213.12814	1.9
215.10788	1.6
217.12244	1.2
221.13165	2.0
225.12679	1.9
227.14319	1.3
241.15964	1.2
253.12134	1.2
255.17485	4.6
267.17398	2.1
273.18454	5.1
277.15869	1.5
281.18756	1.4
285.18506	5.8
295.16901	11.4
299.20270	1.3
313.17984	23.9
313.21503	1.9
331.19052	3.7
355.18970	11.5
373.19885	6.5
391.20731	1.3
415.21051	3.5
415.38235	1.0
433.22125	6.0
475.23062	1.8
536.52057	1.1
570.34290	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04388	1.0
67.05485	1.3
79.05490	5.6
81.07064	2.4
82.45303	1.0
91.05479	12.6
93.07029	2.4
95.08614	2.1
105.03386	2.3
105.07021	7.0
107.04959	72.2
107.05698	2.3
107.08584	4.6
109.06508	6.0
109.10199	2.4
111.87081	1.3
119.04948	2.4
119.08560	5.3
120.08109	1.6
121.06508	2.4
121.10130	4.6
123.08098	1.7
133.06441	1.6
133.10097	1.8
134.09602	6.5
135.11690	1.4
137.06013	1.6
143.08591	1.8
145.10132	1.9
146.62581	1.3
149.05972	18.3
151.07608	1.5
155.08539	1.4
157.10149	2.7
159.07977	1.1
161.09657	1.1
169.10149	2.5
171.11702	1.8
175.11023	1.2
183.11717	2.1
185.13205	1.6
194.11758	100.0
196.09639	4.9
197.13260	2.3
207.11565	1.3
209.13362	1.7
210.11200	9.5
211.14890	1.7
255.17227	1.1
273.18427	5.3
295.16953	1.5
313.18121	1.8
317.21176	1.2
346.05389	1.3
404.33704	1.3
570.34564	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63913	0.8
55.05521	1.3
65.69547	1.0
67.38262	0.9
68.22266	0.9
74.28096	0.9
81.07042	1.3
91.05473	69.1
92.86266	0.9
93.07024	2.1
105.07037	1.4
107.04965	6.8
107.08595	4.8
109.10165	1.7
116.01598	1.0
119.04942	11.0
119.08565	7.0
121.10119	1.6
123.11681	1.9
130.97000	0.9
131.08514	1.7
133.10104	4.3
134.09654	14.2
135.08145	1.1
135.11676	5.2
143.08498	1.1
145.10089	1.4
147.08051	1.4
147.11652	2.1
157.10139	1.5
169.10130	1.9
171.11691	1.6
185.13303	1.2
194.11726	5.0
197.13226	1.5
209.13257	1.6
210.11232	100.0
223.14584	1.1
265.19504	1.1
283.20441	1.6
301.21536	1.1
307.48611	1.0
570.34283	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	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.7
67.05474	0.7
74.60264	0.6
78.77660	0.7
79.05509	0.8
81.07075	1.1
91.05476	64.7
93.07043	2.8
95.08607	1.4
101.64407	0.6
103.05464	3.2
105.07043	3.3
107.04955	10.4
107.08602	6.0
109.06520	0.7
109.10139	3.3
119.04936	12.8
119.08566	5.5
121.06460	0.7
121.10130	2.7
123.11702	0.6
130.42708	0.6
131.04936	8.3
131.08569	2.4
133.10107	3.6
134.09651	14.4
135.11681	3.7
137.05983	6.7
137.13228	1.0
138.49405	0.6
141.07053	0.6
143.08505	0.9
145.10107	1.3
147.04318	0.7
147.08049	1.5
147.11678	3.6
149.05963	2.5
153.86780	0.6
157.10109	3.2
159.08012	0.8
159.11700	1.4
161.09732	1.1
163.07538	7.1
165.09140	2.5
169.10051	1.3
171.11690	2.8
173.13197	1.0
177.05464	1.2
181.10304	0.9
183.11751	2.9
185.13292	1.1
194.11777	11.6
195.11757	0.7
197.13255	1.1
199.14676	0.8
205.12250	0.7
209.13257	1.2
210.11241	100.0
213.12788	0.7
223.14796	0.8
253.19479	0.8
265.19363	0.9
283.20609	3.2
301.21625	3.2
570.34192	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	0.7
59.05013	2.7
59.96652	0.6
64.87141	0.6
69.07041	0.7
79.05485	6.3
91.05480	1.6
95.87524	0.9
97.96554	0.7
101.14240	0.9
101.56619	0.7
103.65432	0.8
105.07018	1.4
107.04954	100.0
107.08587	1.7
108.05268	1.9
119.08588	0.8
120.08092	0.8
133.10104	1.2
134.09653	10.0
149.05966	27.2
149.07037	1.3
155.08665	1.0
164.56369	0.8
167.46552	0.8
171.11684	0.9
180.10185	3.9
181.10239	1.8
185.13341	0.8
194.11760	99.4
195.11882	1.3
210.58310	0.8
243.13768	1.0
265.92184	0.8
299.19919	0.9
391.01071	0.8
391.77438	0.7
426.97165	0.9
434.26904	35.8
452.28146	10.1
510.32169	23.2
570.34741	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	570.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34064	0.4
53.47081	0.4
53.74107	0.4
57.31505	0.4
65.39996	0.5
67.05504	0.8
69.07083	0.5
69.86242	0.5
79.05479	4.1
80.74772	0.5
81.07050	2.2
83.31604	0.5
87.11285	0.5
91.05468	2.8
93.07028	2.1
95.04929	1.0
95.08614	5.6
105.07040	3.2
107.04956	72.2
107.08609	5.0
109.10178	2.6
119.08560	3.9
121.10106	1.2
123.08033	4.6
123.11735	1.0
131.08553	1.2
133.10118	2.6
134.09677	3.0
135.08080	0.9
135.11714	1.0
140.22478	0.5
145.10092	2.4
147.11670	0.7
149.05974	18.2
157.10153	2.6
159.11711	1.0
161.09492	0.6
171.11650	0.8
173.13167	0.6
183.11707	0.8
185.13356	0.8
194.11763	100.0
195.11681	1.0
197.13318	1.2
236.12770	0.7
269.19128	0.9
275.34238	0.6
281.18860	1.1
510.32449	0.9
570.34265	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72747	0.8
55.96384	0.8
57.91487	0.9
59.31734	0.9
65.51644	0.9
67.05501	1.2
70.06977	1.0
79.05473	5.9
81.07046	3.9
90.44706	0.9
91.05497	6.9
93.07024	4.2
95.08581	3.9
100.60078	1.0
105.03382	1.9
105.07034	5.2
107.04950	81.5
107.08578	5.1
113.67418	0.9
113.90141	1.3
119.08583	5.1
121.06462	1.7
121.10138	1.8
123.08035	6.9
123.11691	1.7
131.08490	1.1
133.06441	1.9
133.10114	4.1
134.09654	1.8
136.86250	1.0
145.10127	1.7
149.05989	18.4
149.09639	1.4
151.01067	1.0
151.07542	1.1
157.10130	2.0
159.11679	1.6
171.11711	1.8
183.11742	1.4
185.13223	1.3
193.10072	1.3
194.11749	100.0
195.11835	1.3
196.12315	1.3
210.11238	1.2
216.02917	1.1
223.14717	1.2
281.18753	1.3
331.18759	1.5
363.27350	1.2
400.81970	1.1
570.34314	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22612	1.4
67.54796	1.2
79.05481	2.0
91.05478	64.8
93.07055	1.8
95.04969	2.3
95.08605	3.0
103.05466	2.1
103.94745	1.5
105.03379	5.3
105.07022	5.6
107.04942	11.4
107.08596	6.8
109.10126	1.8
119.04933	11.8
119.08572	5.5
121.10175	2.6
123.08112	1.9
129.06924	1.5
131.08530	2.1
133.10146	6.6
134.09648	13.7
135.08043	2.1
135.11667	2.5
143.08601	1.8
145.10118	2.1
147.08069	2.0
147.11690	3.1
149.05969	2.9
155.08519	2.5
157.10083	2.1
183.11699	2.8
185.13310	2.6
193.10168	1.5
194.11763	19.1
197.13252	1.7
209.13138	1.9
210.11249	100.0
223.14957	2.2
225.16400	1.4
283.20511	1.8
317.36765	1.4
386.97815	1.4
570.25336	2.3
570.34015	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22955	0.9
53.09483	0.8
57.07075	1.0
58.17477	0.8
79.05502	1.0
81.07053	2.0
91.05479	65.6
93.07030	4.1
96.28905	0.9
103.05472	3.8
105.07021	1.9
107.04955	10.7
107.08586	5.9
109.10179	3.3
119.04920	12.6
119.08578	5.8
121.10142	4.0
131.08586	2.3
133.10141	4.0
134.09624	13.0
135.11685	4.3
143.08537	1.6
147.08029	1.2
149.05954	1.3
157.10124	4.1
169.10107	1.9
173.13272	1.4
183.11702	2.4
194.11784	12.3
210.11240	100.0
211.14978	1.3
222.14142	1.0
265.19397	1.8
283.20514	1.4
301.21622	2.4
405.92435	1.3
570.11670	2.3
570.34277	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10199	1.2
65.78178	1.5
73.97732	1.3
76.41324	1.3
79.05501	1.6
91.05482	63.9
93.07019	1.7
94.53470	1.4
95.08595	2.0
96.06441	1.2
100.62855	1.3
105.07018	5.5
105.44142	1.3
107.04947	9.0
107.08594	5.6
109.10114	1.8
119.04939	11.2
119.08575	6.8
121.10135	2.0
124.39799	1.3
133.10117	2.7
134.09639	13.2
135.08047	1.5
135.11739	2.4
139.44897	1.6
143.08534	1.6
145.10112	2.6
147.11655	2.2
149.05986	2.2
155.08551	1.7
167.03355	1.9
167.08818	1.4
169.10065	1.9
171.11708	2.0
183.11728	2.2
194.11829	10.3
197.13458	1.8
201.16557	1.4
210.11243	100.0
223.14778	1.6
257.18845	2.1
265.19669	2.0
283.20709	1.4
404.12033	1.7
570.14380	6.2
570.34308	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	571.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45839	0.7
54.42939	0.6
63.38568	0.6
65.03930	1.2
76.74514	0.7
82.82380	0.8
105.03449	1.0
105.07032	0.9
111.04389	1.1
121.02862	100.0
121.03824	3.2
122.59669	0.7
123.04393	1.2
147.08003	0.7
167.03395	4.0
180.70776	0.8
311.05539	3.0
339.08740	1.7
381.09717	1.3
391.07974	6.1
419.07465	0.8
423.10715	1.8
449.08829	6.6
451.10214	97.7
465.11926	0.8
571.12329	41.0
571.25873	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	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57734	1.2
61.95451	1.1
63.28734	1.3
63.67664	1.2
71.38865	1.4
96.82456	1.3
101.00894	2.4
104.01178	1.5
113.00826	2.0
119.01931	3.4
131.01872	3.3
131.05780	1.4
143.01880	19.1
155.01897	22.8
159.90501	1.3
161.02945	7.4
167.01982	1.8
169.03522	2.9
173.02942	18.1
185.02957	7.5
187.04529	8.7
195.01401	2.2
197.02980	3.4
199.04584	1.8
201.00768	2.0
207.01466	1.9
213.02446	51.2
217.05637	2.7
221.05037	8.7
225.02446	17.4
231.03510	35.8
235.06598	10.7
239.00417	19.2
239.06133	2.2
243.03409	10.0
251.00357	7.9
251.04135	1.6
253.07677	17.3
257.01404	81.0
257.05246	2.9
269.01379	9.5
269.05295	3.1
275.02457	31.5
275.05960	5.9
277.07666	45.1
287.02441	8.5
287.05396	1.6
289.07623	5.8
295.08704	6.2
301.07681	5.8
307.08917	2.0
317.03589	3.0
319.08893	2.4
329.07220	7.6
337.09790	3.3
347.08249	11.2
359.04575	28.7
367.10733	1.8
377.05591	100.0
384.75732	1.5
391.07138	9.8
395.06677	1.9
482.08545	1.8
509.11618	1.7
520.56281	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	571.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99371	0.5
76.51833	0.5
83.17173	0.5
84.04478	2.1
90.64879	0.5
93.63046	0.5
98.41010	0.5
101.06152	0.5
123.04430	14.7
124.87900	0.6
130.05011	5.0
135.04416	2.3
138.08913	0.5
139.03926	0.7
139.97267	0.6
147.04430	8.0
147.07680	3.8
149.05984	1.0
151.03888	3.8
163.03894	38.2
165.05446	3.3
174.52533	0.6
203.07039	5.9
227.07018	1.9
255.06645	2.2
273.07568	100.0
278.59848	0.6
347.96286	0.5
385.92145	0.5
386.73352	0.5
425.12357	11.7
571.17426	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	571.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
62.13011	0.9
69.07053	1.0
77.03915	1.7
79.05486	1.0
83.04991	1.4
91.05462	1.4
92.17870	2.9
93.07014	1.9
95.04955	7.0
103.05435	1.2
105.03395	66.4
105.04485	3.4
105.07037	13.2
108.29674	1.0
109.06509	4.4
109.10119	1.8
111.04446	1.4
119.08576	1.1
121.06522	1.2
123.08081	2.4
123.76045	1.1
125.26300	1.0
131.08553	1.5
133.06491	100.0
137.09666	1.0
143.08575	3.8
145.10083	1.4
155.08479	2.1
157.06442	1.0
157.10144	2.5
161.09579	1.7
167.08554	1.4
169.10088	2.2
178.92844	1.1
179.08557	1.0
179.10641	4.1
185.13380	1.7
193.10083	1.4
197.13243	1.5
207.11853	1.4
208.12523	1.1
213.12689	2.3
224.46709	0.9
235.11128	1.2
237.16096	1.0
247.15839	0.9
253.12180	1.4
265.15771	1.3
269.15424	1.9
293.15204	2.1
311.16354	6.0
329.17413	5.6
371.18451	1.6
396.52835	1.1
571.25598	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	571.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01876	1.6
55.08800	1.5
57.61147	1.3
60.55068	1.1
67.05501	2.7
69.03438	3.1
69.07072	2.8
79.05489	2.1
81.03419	2.4
81.07038	5.2
83.04968	5.6
83.98187	1.4
84.11062	1.1
91.05467	7.7
93.07030	8.4
95.04971	15.0
95.08561	2.7
97.02872	2.8
97.06544	1.8
105.03393	100.0
105.04486	4.0
105.07024	23.6
106.03704	5.4
107.04929	5.0
107.08592	5.4
108.23994	1.3
109.06511	5.8
109.10198	1.8
117.07008	1.3
119.08556	10.6
121.06495	8.7
121.10122	5.2
123.04425	4.6
123.08079	12.1
125.05965	1.3
129.06992	1.6
131.08560	5.7
133.06496	5.9
133.10127	9.0
135.08066	6.2
137.05942	9.5
137.09644	7.9
138.10173	1.4
139.07585	1.3
143.08583	5.7
145.00302	1.4
145.06503	1.9
145.10091	9.7
147.08052	5.1
147.11691	1.4
149.05977	5.3
149.09642	5.2
151.07567	7.0
151.11192	10.6
155.08548	2.9
157.10091	10.3
159.08026	2.8
159.11725	3.1
161.09595	11.3
163.07605	1.5
163.11183	1.9
169.10104	7.5
171.11668	7.4
173.09627	7.4
175.07550	3.2
177.09068	2.8
179.10629	9.6
181.10091	5.8
182.10901	2.0
183.11665	9.3
185.09601	5.5
185.13191	2.6
187.07420	1.9
187.11221	5.0
189.09132	1.5
192.09264	1.6
193.10045	2.2
195.11729	7.0
197.08026	1.7
197.09758	5.9
197.13245	6.2
199.11189	5.7
201.09085	2.0
201.12740	2.1
206.10857	1.9
207.11713	6.0
208.12437	3.0
209.09586	4.9
209.13301	6.4
211.11154	6.4
211.14896	5.3
213.12749	7.0
215.10631	2.0
215.14345	6.1
217.10165	1.3
221.13211	2.0
222.13959	1.7
223.11169	4.9
223.14856	3.1
225.12726	7.5
227.10739	2.7
227.14330	2.4
232.12390	5.0
235.11282	1.5
236.11940	1.8
237.12827	2.5
237.16284	3.1
239.10606	1.5
239.14279	9.5
241.12244	5.0
241.15909	3.1
247.15024	2.5
249.12804	2.2
250.13423	3.2
251.14293	3.1
253.12254	3.2
255.17430	1.7
260.11948	1.6
265.15836	10.4
267.13745	6.4
269.15234	2.2
275.14255	2.2
283.16916	6.6
289.90961	1.7
293.15323	15.2
303.05096	2.9
304.05328	7.6
305.05573	5.5
311.16336	23.0
314.18216	2.1
329.17337	14.5
347.18610	16.2
359.55783	1.6
371.18689	11.5
389.19583	20.0
407.20541	9.3
443.22620	1.4
564.01929	1.6
571.25867	6.0
599.21326	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	571.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63194	2.2
59.64975	2.4
65.85115	2.4
77.87194	2.3
79.05482	10.8
81.07056	5.3
83.04922	2.7
85.26970	2.4
91.05497	3.8
93.07034	6.6
95.04965	5.3
95.08619	9.8
95.10825	3.2
105.03388	100.0
105.07014	15.9
107.04934	22.3
107.85582	2.7
109.06521	4.3
109.43993	2.7
117.07045	4.2
119.08595	6.0
121.06493	12.0
121.10128	4.7
123.08041	6.4
127.12598	2.5
131.08586	3.2
133.06459	4.4
133.10063	9.9
135.08049	4.7
137.09639	2.9
143.08557	13.2
145.10124	6.9
147.07970	3.2
149.05995	5.0
155.08568	6.4
159.08037	11.7
161.09602	20.3
163.07661	2.7
163.11296	3.4
165.06900	3.1
169.10135	11.3
171.07993	2.9
173.09624	16.9
181.10121	11.7
181.61296	3.6
182.10861	3.5
183.11700	4.4
185.09601	4.7
185.13237	3.0
192.09380	4.1
193.10132	4.1
194.11725	14.6
195.11876	16.8
197.09627	4.4
197.13193	10.6
199.11182	21.7
207.11720	12.1
208.12396	3.7
209.09578	6.0
209.13177	3.3
211.11206	4.9
213.12685	10.3
223.11230	5.0
223.14693	3.2
225.12738	18.8
227.10701	21.0
235.11227	3.8
239.14250	3.8
241.12146	2.8
241.15953	3.2
250.13254	3.4
251.14299	3.8
253.12263	11.2
255.17557	3.1
265.15875	13.4
267.13736	3.8
271.13232	29.7
283.16806	5.4
293.15387	13.2
311.16489	28.2
329.17432	17.4
331.15463	3.9
370.40625	2.9
571.34216	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	571.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.1
54.99281	2.7
56.32430	3.0
56.46589	2.4
59.42895	2.8
66.75814	2.8
69.07057	3.5
70.26870	2.9
77.11939	2.8
79.05486	4.1
81.07071	4.0
81.86842	2.5
83.08624	3.4
90.04288	3.2
91.05483	7.0
92.18478	6.0
93.07041	6.9
95.04964	17.3
95.08602	14.1
105.03393	100.0
105.04476	4.1
105.07028	21.4
107.08576	14.0
108.99682	3.0
109.06508	21.4
109.10164	3.8
117.07004	4.1
119.04987	3.4
119.08575	12.9
121.06511	12.2
121.10137	6.3
123.08056	4.9
129.06963	5.6
131.08543	5.3
133.06519	31.3
133.10133	16.1
135.04460	3.5
135.08011	5.3
135.11647	3.4
137.09644	6.6
143.08562	16.1
144.74435	3.2
145.10143	16.7
147.08067	11.4
147.11548	3.3
149.06052	4.1
149.09663	4.4
151.11308	4.5
155.08566	6.1
157.10106	6.1
159.08017	4.6
159.11729	3.1
161.09616	14.1
163.11182	6.0
165.07036	3.1
169.10083	5.8
171.08078	4.6
171.11653	18.5
173.09612	6.9
179.06963	2.8
179.08527	4.7
181.10139	19.9
182.10931	3.9
183.08052	3.6
183.11671	13.8
185.09589	6.0
189.12781	4.4
192.09358	3.2
193.10139	5.2
195.11702	20.4
197.13301	14.9
199.11223	11.4
207.11688	15.5
208.08940	4.0
208.12456	3.9
209.09703	5.9
209.13176	4.8
210.10313	5.5
211.11339	14.2
213.12715	5.2
215.14331	4.0
217.10184	5.0
221.13167	3.4
223.11253	4.0
225.12770	13.1
227.10710	4.7
232.12363	3.3
235.11131	6.1
237.16454	4.3
241.12248	4.0
241.15849	6.2
247.14677	5.4
250.13522	4.3
251.14322	3.8
253.12198	13.7
255.17426	4.5
260.12222	3.5
265.15881	17.4
267.13828	3.0
269.15323	4.5
271.13275	6.2
283.16946	21.6
293.15277	21.7
311.16425	40.8
326.68460	3.5
329.17444	66.6
338.51813	2.8
339.37592	3.5
347.18356	5.8
371.18607	14.2
389.19257	20.8
500.15359	3.4
571.25525	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	571.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23083	3.5
67.05522	3.5
76.26396	3.3
91.05482	3.8
93.07025	7.8
95.04960	18.2
105.02692	4.7
105.03390	100.0
105.07020	20.8
121.06483	6.3
128.69678	3.5
131.04944	3.8
133.06506	19.1
141.06947	4.5
143.08615	6.0
145.10059	4.3
147.04427	5.9
147.08047	5.9
149.06015	6.7
155.08571	18.0
157.10094	7.1
159.08072	4.8
161.09727	4.2
167.08626	5.8
169.10115	25.7
171.07957	5.1
171.11768	7.2
173.09610	5.6
181.10123	22.5
182.10934	4.7
183.11711	15.7
185.09566	8.2
192.09372	8.1
193.10077	4.8
195.11684	16.7
197.09628	3.8
197.13232	21.5
199.11201	18.7
207.11633	22.3
209.09781	4.7
211.07602	4.5
211.11183	8.3
213.12839	4.1
223.11189	13.4
225.12724	19.5
227.10699	4.4
233.13300	3.8
235.11139	12.3
237.16293	5.8
240.91489	3.8
253.12196	22.6
255.17558	3.7
263.26517	4.9
265.15933	14.9
271.13263	7.9
283.16995	18.4
293.15350	21.4
311.16428	28.5
313.14331	7.1
317.95840	3.6
368.56775	4.2
371.18356	7.8
472.05655	4.4
493.22021	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	571.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05492	2.2
57.39962	1.7
69.03449	2.0
69.07075	2.6
77.03927	3.6
79.05505	2.6
81.07066	2.0
86.68179	2.0
86.78352	2.0
88.36426	1.9
91.05445	3.0
92.17838	2.8
93.07027	3.6
95.04972	13.8
105.03392	100.0
105.04465	3.3
105.07031	9.8
107.04956	2.4
107.08585	4.2
109.06532	2.3
119.08536	7.5
121.06503	3.1
121.10122	2.8
123.04422	2.1
123.08009	3.2
131.08562	3.7
133.06505	2.1
133.10115	4.3
135.08022	2.6
143.08562	11.3
145.10138	4.9
147.08044	3.3
147.11661	2.3
149.05992	2.5
149.09656	3.7
157.10143	7.9
159.11685	3.3
161.09569	3.2
161.13353	2.1
161.88966	2.1
169.10152	10.7
171.11699	8.6
173.09589	3.8
179.08531	2.1
181.10085	4.7
183.11716	7.6
185.13226	3.2
191.10678	3.3
193.10149	3.3
195.11784	11.0
197.09494	4.1
197.13263	7.4
203.14241	2.7
207.11852	3.9
208.12434	4.1
209.09518	3.1
209.13116	2.7
211.11259	8.6
213.12772	9.3
221.13118	2.9
223.11195	10.1
223.14752	7.6
225.12723	3.4
227.10756	3.0
237.12825	2.5
237.16229	2.0
241.15781	4.5
251.14449	3.5
253.12202	2.8
265.15851	8.0
267.13669	4.3
269.15421	8.2
271.13284	2.2
283.16907	9.8
287.16428	76.5
293.15378	10.9
301.17917	2.8
311.16394	33.9
329.17773	16.2
365.56683	2.1
371.18680	8.6
389.19647	35.4
571.25690	22.7
571.33380	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	571.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
62.90790	1.6
67.05495	2.2
69.03409	3.1
69.07055	2.4
77.03918	1.9
79.05498	6.7
81.07053	2.8
83.04990	3.7
86.95746	1.9
87.25634	1.6
91.05472	8.8
92.68869	1.8
93.07034	13.3
95.04954	15.4
95.08606	3.7
100.49664	1.8
105.02669	3.2
105.03390	100.0
105.04065	3.5
105.04473	3.3
105.07045	21.2
107.04935	4.3
107.08582	10.1
109.06521	4.5
109.10114	2.1
119.08578	9.2
121.06511	9.9
121.10116	4.6
123.04392	3.8
123.08035	7.5
129.06985	2.0
130.53000	1.7
131.08560	7.8
133.06462	9.9
133.10107	12.8
135.04424	2.2
135.08063	10.2
135.11630	1.9
137.09528	3.0
142.07736	1.9
143.08559	9.4
145.10117	11.0
146.07350	2.1
147.08029	9.5
149.05960	8.3
149.09612	4.1
151.07445	3.5
155.08519	9.8
157.06535	2.2
157.10146	9.6
159.08069	13.8
159.11736	2.6
161.06007	2.5
161.09587	27.3
163.11113	2.2
167.08598	2.9
169.10123	12.6
169.17804	2.0
171.08032	8.5
171.11714	4.1
173.09616	12.0
175.11194	1.8
179.08548	4.3
181.10141	14.2
182.10822	2.4
183.08044	2.8
183.11562	13.6
185.09619	8.9
185.13409	2.9
187.11156	3.6
189.12685	2.6
191.10674	2.0
192.09261	3.5
193.10153	8.6
195.07993	3.2
195.11633	17.1
196.12392	2.1
197.09589	10.9
197.13269	13.2
199.11182	21.4
199.14926	2.0
201.12726	3.2
206.10913	2.7
207.11662	11.3
208.12495	3.2
209.09648	9.4
209.13200	10.4
210.10374	3.4
211.11180	13.2
211.14737	2.9
213.09052	2.0
213.12685	12.8
215.10669	3.5
217.10065	2.7
219.11787	2.3
221.13324	3.4
223.11189	10.8
223.14827	10.8
224.11955	2.8
225.09213	3.1
225.12732	15.3
227.10677	9.7
232.12457	2.6
234.10413	2.1
235.11180	4.3
236.11951	3.2
237.12834	3.1
237.16368	4.5
239.10535	2.0
239.14226	8.0
241.12230	3.6
241.15910	3.6
243.13914	2.8
243.82529	1.8
244.77425	1.9
247.14891	3.8
249.12688	2.4
251.14323	8.6
253.12225	10.3
255.17401	3.0
265.15781	19.1
267.13763	7.9
268.27252	1.8
269.11780	3.1
269.15204	2.8
271.13266	22.0
275.14334	2.7
283.16986	13.4
293.15344	24.6
296.59909	2.1
311.16333	47.3
329.17435	22.4
331.15359	4.1
371.18457	17.9
389.19440	3.6
456.66541	1.9
493.22388	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	571.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.05534	2.7
58.03767	2.2
65.36884	2.1
67.05516	3.3
69.03419	2.2
79.05482	10.6
81.07050	2.5
91.05466	10.1
93.07069	3.1
95.04960	13.7
95.08575	3.3
105.03391	100.0
105.04487	4.2
105.07008	12.2
107.04948	59.3
107.08582	3.0
108.05283	29.5
109.05687	2.8
119.08590	10.6
120.08122	4.0
121.06481	9.3
123.08069	12.2
129.07019	2.2
131.08539	5.1
133.06497	9.9
135.08092	3.6
141.07004	2.3
143.08545	5.2
145.06450	2.3
145.10130	3.3
146.07124	2.5
147.07950	3.4
149.05977	14.3
149.09599	2.4
150.06317	4.6
151.07558	4.9
155.08572	4.6
157.10141	3.4
159.08063	10.4
161.09604	4.7
167.08488	4.1
169.10106	11.2
171.08055	4.8
173.09587	8.6
180.10172	21.3
181.10454	20.1
182.10869	17.3
183.11624	12.5
185.09616	2.6
193.10127	2.8
195.11725	9.4
197.09636	4.8
197.13292	4.8
199.11151	12.3
207.11752	9.7
209.09595	8.6
210.11014	3.8
211.09543	2.6
211.11327	13.3
213.12717	8.8
223.11212	12.9
223.14743	5.0
225.12689	16.7
227.10654	5.2
235.11101	2.9
237.16316	2.8
238.16649	2.2
241.12195	9.2
243.13701	3.0
251.14275	4.6
253.12256	8.8
253.15987	2.7
265.15781	4.2
271.13232	4.3
293.15399	3.8
311.16385	9.8
313.81592	2.9
329.17444	4.3
331.15381	83.5
371.18387	4.5
489.46371	2.7
571.33734	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	7.2
91.05488	5.5
93.07039	6.4
95.04962	8.3
105.03399	100.0
105.07026	24.5
107.04935	8.1
107.08588	15.0
109.06542	4.9
115.65092	3.9
119.08560	17.7
121.06503	23.6
121.10154	32.3
123.08035	8.9
131.08575	4.4
131.87469	4.3
133.06514	19.4
133.10123	25.1
135.08051	16.1
136.49747	3.9
145.06494	15.2
145.10123	17.7
147.08066	15.5
149.05974	16.8
149.09598	4.7
157.10083	4.8
159.08032	6.0
161.05896	4.8
161.09610	19.8
163.07562	6.3
163.11238	7.8
169.10191	5.9
173.05962	4.4
173.09578	5.7
179.08499	4.0
179.10699	4.5
181.10065	4.7
187.11179	4.4
194.11946	4.5
195.11687	15.8
197.13367	6.2
199.11234	6.9
211.11192	8.1
213.12810	4.0
223.11131	8.7
223.14815	7.2
225.12656	6.6
227.10966	4.1
235.11308	4.4
235.22076	3.7
239.14362	17.4
247.14871	9.3
250.13489	5.3
251.14085	5.7
253.12129	4.8
265.15860	20.1
267.13953	5.3
283.16852	4.9
293.15396	38.4
311.16415	61.7
313.14630	3.9
329.17554	5.6
353.17477	5.1
363.90332	3.3
371.18646	19.6
386.31949	4.4
410.26779	3.5
431.20667	9.1
449.21344	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01876	1.6
55.08800	1.5
57.61147	1.3
60.55068	1.1
67.05501	2.7
69.03438	3.1
69.07072	2.8
79.05489	2.1
81.03419	2.4
81.07038	5.2
83.04968	5.6
83.98187	1.4
84.11062	1.1
91.05467	7.7
93.07030	8.4
95.04971	15.0
95.08561	2.7
97.02872	2.8
97.06544	1.8
105.03393	100.0
105.04486	4.0
105.07024	23.6
106.03704	5.4
107.04929	5.0
107.08592	5.4
108.23994	1.3
109.06511	5.8
109.10198	1.8
117.07008	1.3
119.08556	10.6
121.06495	8.7
121.10122	5.2
123.04425	4.6
123.08079	12.1
125.05965	1.3
129.06992	1.6
131.08560	5.7
133.06496	5.9
133.10127	9.0
135.08066	6.2
137.05942	9.5
137.09644	7.9
138.10173	1.4
139.07585	1.3
143.08583	5.7
145.00302	1.4
145.06503	1.9
145.10091	9.7
147.08052	5.1
147.11691	1.4
149.05977	5.3
149.09642	5.2
151.07567	7.0
151.11192	10.6
155.08548	2.9
157.10091	10.3
159.08026	2.8
159.11725	3.1
161.09595	11.3
163.07605	1.5
163.11183	1.9
169.10104	7.5
171.11668	7.4
173.09627	7.4
175.07550	3.2
177.09068	2.8
179.10629	9.6
181.10091	5.8
182.10901	2.0
183.11665	9.3
185.09601	5.5
185.13191	2.6
187.07420	1.9
187.11221	5.0
189.09132	1.5
192.09264	1.6
193.10045	2.2
195.11729	7.0
197.08026	1.7
197.09758	5.9
197.13245	6.2
199.11189	5.7
201.09085	2.0
201.12740	2.1
206.10857	1.9
207.11713	6.0
208.12437	3.0
209.09586	4.9
209.13301	6.4
211.11154	6.4
211.14896	5.3
213.12749	7.0
215.10631	2.0
215.14345	6.1
217.10165	1.3
221.13211	2.0
222.13959	1.7
223.11169	4.9
223.14856	3.1
225.12726	7.5
227.10739	2.7
227.14330	2.4
232.12390	5.0
235.11282	1.5
236.11940	1.8
237.12827	2.5
237.16284	3.1
239.10606	1.5
239.14279	9.5
241.12244	5.0
241.15909	3.1
247.15024	2.5
249.12804	2.2
250.13423	3.2
251.14293	3.1
253.12254	3.2
255.17430	1.7
260.11948	1.6
265.15836	10.4
267.13745	6.4
269.15234	2.2
275.14255	2.2
283.16916	6.6
289.90961	1.7
293.15323	15.2
303.05096	2.9
304.05328	7.6
305.05573	5.5
311.16336	23.0
314.18216	2.1
329.17337	14.5
347.18610	16.2
359.55783	1.6
371.18689	11.5
389.19583	20.0
407.20541	9.3
443.22620	1.4
564.01929	1.6
571.25867	6.0
599.21326	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	571.2667
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
51.73574	0.5
52.63990	0.5
55.05492	0.7
55.64900	0.6
55.82072	0.6
80.42155	0.7
81.07048	1.1
93.07037	1.2
95.08588	1.1
105.07024	1.1
119.08593	2.5
121.10137	1.0
131.04968	1.0
133.10118	4.4
143.08586	1.5
145.10136	1.6
147.11673	0.9
155.08580	1.0
157.10109	1.2
169.10251	0.7
181.10056	0.7
183.11707	1.6
195.11621	0.9
219.47076	0.8
223.14638	0.8
340.16711	0.7
423.21475	1.0
563.11884	0.8
571.26660	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	571.2667
Annotation	artoindonesianin A
Peak:m/z	Relative Intensity
50.72279	7.6
122.96951	9.4
145.10197	14.7
166.09813	9.0
202.09236	9.4
206.34985	8.9
248.92233	8.3
263.41891	10.1
295.98694	8.2
382.46982	9.4
442.41571	10.3
571.26489	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	571.2876
Annotation	Ardisiaquinone C
Peak:m/z	Relative Intensity
55.95650	0.8
57.07072	1.1
73.79666	0.7
81.07050	1.2
83.01115	1.0
88.19852	0.8
91.05476	1.5
93.07028	5.0
95.08588	3.3
97.06496	0.9
105.07034	1.1
109.06531	1.3
114.76102	0.8
114.78500	0.8
119.08554	8.2
121.06454	1.0
121.10102	1.1
123.08070	1.4
131.08508	0.9
133.10129	5.0
137.09619	1.6
143.08548	1.1
145.06445	1.1
145.10199	0.9
147.08022	6.8
147.11739	1.2
157.10152	1.6
159.11693	4.5
165.09143	4.5
166.29736	0.7
169.10109	1.3
171.11673	3.6
193.10156	1.0
196.12537	0.9
197.13359	1.4
199.14946	0.9
211.14815	1.8
221.13063	0.7
223.14648	1.0
225.86671	0.9
234.14127	1.3
239.14119	0.9
239.17926	2.8
249.16380	1.7
267.17426	6.6
320.60959	0.8
344.81839	0.8
349.17719	4.9
358.82858	0.7
359.31763	0.8
367.18991	0.8
409.20041	4.4
451.24530	6.6
511.26471	7.6
571.28699	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	571.2882
Annotation	Ardisiaquinone C
Peak:m/z	Relative Intensity
62.21729	2.6
66.82207	2.0
67.62463	2.5
69.07072	2.9
81.07057	4.5
93.07033	4.1
95.04974	10.0
95.08589	5.1
105.07048	2.9
107.08576	5.8
119.08574	10.8
127.03671	16.7
131.08568	3.8
133.10135	18.6
135.07973	2.9
145.10132	15.0
147.11752	2.4
157.10098	3.3
163.11160	4.1
171.11736	4.3
209.13260	5.4
215.86127	2.5
223.14738	3.0
265.05115	2.5
284.10953	2.5
473.93021	2.6
499.08646	2.8
511.26822	4.2
571.28796	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	571.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87319	1.0
55.05507	1.1
56.82315	1.1
60.08384	1.0
65.73574	1.0
67.05515	2.3
69.07056	1.3
79.05459	1.5
81.03182	1.5
81.07048	2.1
83.01096	1.2
91.05482	2.0
93.07040	2.8
95.04972	5.0
95.08591	1.9
105.07034	5.6
107.08598	6.8
109.10177	2.2
117.07005	1.3
119.08578	9.6
121.10177	2.8
123.04418	60.5
123.46223	1.2
127.03658	13.4
131.08575	1.4
133.10118	26.0
135.04454	2.8
135.08032	2.5
139.03891	51.7
139.04903	2.4
143.08580	2.5
145.06523	5.9
145.09131	1.3
145.10052	12.1
147.11710	6.6
150.86974	1.2
151.03925	2.7
151.32813	1.2
157.10132	2.3
159.11783	1.3
169.10065	1.7
171.11848	1.5
181.09995	1.7
195.11792	1.4
201.05548	5.0
209.13231	2.7
229.05023	5.0
265.19785	1.4
267.06818	1.4
273.07584	9.5
325.06949	8.7
347.19785	1.7
495.10458	2.1
527.13062	12.1
571.14063	2.5
571.28729	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	571.2893
Annotation	Ardisiaquinone C
Peak:m/z	Relative Intensity
50.09771	0.6
50.81103	0.5
64.41575	0.7
68.99055	0.6
74.84372	0.8
79.05470	0.8
81.07046	1.2
87.14841	0.7
91.05441	0.7
93.07043	1.4
95.08586	1.1
95.51939	0.6
105.07018	3.4
107.08604	1.1
117.07028	0.9
119.08566	3.6
121.10122	1.2
130.07758	1.0
131.08511	0.7
133.10109	1.5
135.08049	1.3
137.09543	1.2
143.08551	1.5
145.10100	10.0
149.09573	5.2
155.08545	0.9
157.10158	1.5
159.11659	1.3
169.10130	1.2
171.11661	1.2
173.09567	0.9
175.11272	1.1
181.09999	0.8
183.11697	1.1
187.11200	1.5
197.13246	3.1
211.11145	1.0
211.14838	1.4
225.12769	3.2
239.14345	0.9
251.14253	4.8
253.19545	3.3
263.17990	1.2
266.16647	5.2
281.19052	3.8
363.19226	4.9
423.21289	6.0
448.17932	0.6
511.26456	2.9
571.28735	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	571.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43822	2.7
73.33293	3.1
78.92246	2.7
80.21600	2.7
81.07059	3.6
84.54458	2.5
91.05473	3.0
92.62109	2.9
93.07011	3.1
95.05032	2.9
105.07009	5.0
107.08604	6.0
109.06532	2.8
119.08579	4.6
129.26627	3.3
131.08557	3.9
133.10133	24.1
135.08047	3.4
143.08521	3.6
145.10138	3.9
157.06143	2.9
159.11707	3.7
161.09633	2.7
268.46527	2.8
288.81564	3.2
358.26236	2.8
451.24384	14.2
475.66422	3.0
507.68201	3.4
511.26364	3.1
537.46454	2.9
571.28729	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	572.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19917	0.4
68.77472	0.4
74.13447	0.4
75.21275	0.4
75.72503	0.3
78.43011	0.5
93.03420	0.4
97.89030	0.4
101.80797	0.5
119.04906	0.9
123.04421	14.7
125.02358	0.6
130.05006	0.7
135.04417	4.2
147.04404	7.3
151.03867	4.0
161.05956	0.4
163.03902	43.4
164.04190	3.0
165.05463	4.5
175.03853	0.6
175.07481	0.7
185.05995	0.7
199.07483	0.5
203.03343	0.6
203.07005	6.0
227.06982	3.5
231.06566	0.6
237.05444	0.5
245.07942	0.5
255.06577	2.1
257.08078	1.8
273.07562	100.0
274.07870	11.6
285.07648	0.7
425.12335	12.5
426.12460	2.1
472.74463	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	572.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93728	1.0
57.82711	1.0
60.48202	1.2
63.57181	1.4
73.63114	1.2
79.05498	1.8
83.12955	1.1
85.01856	1.3
87.24471	1.3
91.05466	3.2
95.04930	1.6
103.05495	1.4
105.03395	1.8
105.07011	6.5
107.04951	22.9
108.05292	6.3
109.06541	1.4
114.09157	1.8
114.49626	1.5
119.04941	1.6
119.08579	1.6
121.06470	2.4
121.07637	1.2
125.05965	1.2
131.04944	17.5
134.09587	2.4
134.95544	1.2
137.05972	100.0
143.02504	1.4
147.04407	5.5
149.05975	9.0
150.06480	1.4
150.20699	1.7
151.07571	6.3
153.05511	2.8
161.05956	29.7
162.06790	2.7
163.07501	11.4
165.05450	1.7
175.07538	13.8
187.07497	13.2
194.11772	14.1
195.12100	11.4
196.12415	5.0
199.07497	1.4
201.09120	1.9
203.41196	1.4
205.85167	1.5
215.06920	1.6
221.05760	1.9
225.09250	1.7
229.08661	1.8
241.08632	1.5
247.09636	1.6
253.08575	5.7
265.08578	1.8
285.11148	12.7
297.11197	3.4
315.10065	2.0
337.14273	2.0
355.15253	6.1
365.13791	8.9
383.14905	47.5
453.77380	1.3
460.72803	1.3
489.18933	1.8
507.20135	34.0
512.32751	9.5
519.19965	2.2
572.34741	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	572.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36366	0.3
59.94287	0.3
63.61675	0.4
64.55122	0.4
64.93840	0.3
69.07056	0.3
74.14964	0.3
81.07082	0.4
91.05497	0.4
93.07043	0.7
94.29519	0.3
103.05450	2.6
107.04974	3.0
107.08585	0.4
109.06557	0.4
109.10154	0.6
115.07570	2.3
117.51175	0.4
120.08099	100.0
121.10110	2.3
123.11745	0.5
131.04916	3.1
139.11131	0.3
147.11705	0.5
149.05972	4.1
149.09552	0.4
151.99574	0.3
155.04404	0.3
165.12756	1.3
166.08624	49.5
168.82187	0.3
173.41121	0.4
191.14377	0.5
209.15373	5.9
227.16331	0.5
235.15189	0.3
498.50543	0.4
572.18958	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	572.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77925	0.7
72.74673	0.7
78.11807	0.7
79.05487	4.9
79.94918	0.8
81.07047	1.6
93.07051	3.2
95.04952	1.1
95.08578	1.7
105.07021	3.2
107.04955	65.9
107.08597	4.6
109.06541	0.9
109.10120	4.2
109.80900	0.8
119.08584	4.6
121.06487	0.7
121.10133	4.1
123.11676	1.1
131.08504	2.7
133.10132	1.6
134.09657	1.9
135.08130	1.0
145.10141	3.2
147.07983	1.1
147.11662	3.0
149.05965	18.2
157.10133	3.3
159.11716	1.0
161.13145	0.8
165.09193	0.8
165.91525	0.8
169.10123	1.1
171.11708	1.8
173.13300	1.3
183.11705	1.5
194.11755	100.0
197.13219	1.1
209.13174	1.1
222.11348	0.8
223.14911	1.2
225.16475	1.2
283.20435	1.4
572.35852	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63377	0.5
64.29234	0.6
67.05500	0.6
70.56747	0.7
79.00653	0.6
79.05508	5.1
81.07048	1.4
87.54681	0.6
91.05495	2.5
92.17877	0.9
93.07061	1.5
95.04994	0.7
95.08604	4.0
105.07038	3.7
106.51936	0.6
106.77391	0.6
107.04954	72.1
107.08578	5.2
109.06527	1.0
109.10161	2.5
114.36261	0.7
119.08600	5.1
121.06525	1.0
121.10130	3.1
123.11748	1.5
131.08578	1.2
133.10149	4.7
134.09619	2.3
135.08047	0.8
135.11708	3.0
137.05995	1.3
143.08582	2.4
145.10143	4.0
147.08070	1.2
147.11691	2.7
149.05981	19.1
149.09686	0.8
155.08627	0.9
157.10152	2.5
159.11668	2.8
161.13248	0.8
163.11215	0.8
169.10109	1.5
171.11700	2.7
173.13318	0.9
181.10155	0.9
183.11749	2.5
185.13272	1.2
194.11760	100.0
196.12486	0.8
197.13348	1.3
236.12889	0.9
253.19370	0.8
265.19568	0.6
271.20477	0.6
299.10239	0.8
301.21588	1.2
319.22900	1.1
323.54160	0.7
379.67142	0.7
572.35919	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	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28656	1.3
52.49033	1.2
55.05515	2.9
61.21465	1.4
67.05508	38.3
69.07072	6.6
69.90114	1.3
79.05498	11.4
81.07063	51.3
83.08619	12.6
91.05477	8.7
93.07038	15.6
93.83908	1.9
95.04983	2.0
95.08614	58.7
96.05296	1.4
97.06535	7.0
97.10152	8.0
105.07027	5.8
107.08607	18.3
109.10158	36.8
111.08083	7.7
119.08578	10.3
121.10149	29.3
123.11723	14.8
131.08545	3.0
133.10129	29.5
135.11700	20.3
137.09612	9.2
145.10115	3.3
147.11678	6.8
149.13251	12.7
151.11171	7.5
155.10695	1.8
159.11699	6.1
160.44644	1.6
173.13234	3.0
177.12654	1.9
215.17970	21.1
233.19019	15.2
251.20053	100.0
269.21112	42.2
537.42059	2.8
557.52057	1.8
572.37103	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	572.9431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66417	0.7
87.05789	0.8
98.97570	10.4
109.32932	0.8
114.72231	0.8
116.75580	1.0
116.98619	5.6
121.40035	0.7
137.35146	0.7
214.95477	1.6
216.05499	1.3
226.01927	0.8
232.96381	3.0
256.96426	31.8
274.97491	100.0
292.98553	31.7
297.99088	1.0
300.35529	0.9
377.15686	0.8
379.02408	0.9
414.95401	11.0
424.07489	0.8
432.96445	9.1
446.90976	1.2
453.05820	0.9
572.94342	34.4
590.94781	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	573.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
73.06976	1.3
89.48669	1.5
91.05480	6.3
94.04203	1.8
95.04984	17.6
101.00496	2.0
107.04956	86.3
119.04936	83.1
121.02851	7.9
123.04420	47.8
125.02343	12.9
133.06476	2.6
135.04382	1.7
137.05957	19.1
139.03920	2.5
141.05453	2.6
147.04408	37.5
153.05444	20.4
161.05978	7.8
163.03883	31.1
164.04601	2.5
165.05466	44.0
171.04448	2.3
177.05495	9.2
181.04938	11.4
181.06386	1.8
185.05920	2.8
189.05476	2.8
193.04958	2.2
198.13501	1.4
199.07538	3.1
202.06339	2.1
205.04961	7.6
217.04930	5.7
217.08438	12.1
227.07028	6.2
229.08600	19.5
241.08618	5.6
245.08078	100.0
255.06531	1.9
256.07358	2.2
257.08047	20.0
258.08713	2.5
259.06046	2.6
259.09662	17.0
264.36502	1.4
269.08087	11.9
271.06021	2.3
271.09628	7.3
273.07593	3.7
283.06125	2.2
285.07672	3.3
287.05841	2.8
287.09116	72.2
297.07544	1.7
299.05676	2.2
299.09091	5.6
311.09094	8.4
315.08691	3.4
327.08688	1.9
329.10187	3.1
359.09387	2.1
363.12216	3.0
376.09372	10.0
386.02676	1.9
391.11755	49.3
391.16797	1.7
400.47897	1.7
400.52902	1.5
419.11240	13.5
437.12399	38.0
479.13016	2.0
555.16071	2.1
573.17664	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	573.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34599	1.6
77.80936	1.4
78.01430	1.8
79.05496	1.9
82.73083	1.5
91.05474	7.9
91.21136	1.4
91.25272	1.4
95.04964	17.5
107.04950	76.2
119.04937	80.9
121.02872	7.9
123.04425	40.7
124.02084	1.6
125.02353	13.0
131.04900	7.3
132.05211	3.0
133.06516	3.3
135.04398	2.6
137.04933	2.3
137.05962	65.5
138.06305	17.5
141.05516	2.3
147.04396	36.3
149.05939	2.8
150.06320	1.8
151.03912	4.2
151.07521	1.8
153.05472	18.3
157.06516	1.9
159.04539	1.8
161.05928	15.4
162.06326	3.0
163.03876	24.6
163.07407	2.4
165.05447	40.8
175.07552	4.1
177.05440	12.0
181.05008	11.7
182.43747	1.8
185.05939	4.1
187.03986	1.9
187.07530	7.8
188.07852	3.9
189.05367	2.0
193.04878	3.6
194.11705	3.1
195.12097	3.4
199.07536	2.8
202.06207	2.0
213.09100	2.5
217.04930	6.7
217.08600	15.9
227.07016	7.4
229.08594	17.4
241.08571	8.5
245.08060	100.0
253.08415	2.7
255.06503	2.4
257.07999	15.6
258.05341	2.4
259.06119	2.0
259.09625	10.0
269.08136	13.5
271.06091	2.7
271.09558	6.2
273.07687	8.4
285.07434	3.0
286.11215	2.5
287.09122	55.4
297.07788	3.4
299.05737	3.7
299.09283	7.7
303.08618	2.8
310.78400	1.8
311.09094	7.8
315.08453	5.9
315.13391	2.8
329.10373	2.6
337.10547	1.8
363.12463	3.4
366.14081	3.6
376.09439	7.4
382.21069	7.5
383.14951	10.8
384.15207	23.9
391.11676	46.2
405.09668	2.5
419.11273	10.4
437.12296	27.8
449.12463	2.0
479.13040	2.6
497.14639	2.0
508.20343	15.5
573.15656	7.9
573.26331	2.6
573.35144	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	573.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72094	0.9
63.24379	1.0
91.05487	2.0
92.17887	1.1
95.04970	15.4
102.07571	1.0
103.07895	1.0
107.04950	74.9
109.06542	1.1
119.04936	61.5
121.02863	6.4
123.04427	37.9
125.02385	9.9
137.05971	11.0
141.05443	1.9
142.50999	1.1
147.04407	31.5
151.03914	1.5
153.05428	14.7
154.76949	1.0
157.06551	1.8
161.05957	2.5
163.03883	17.8
165.05455	32.6
171.04416	1.5
172.46086	1.1
175.03862	1.3
177.05472	8.9
181.04948	10.1
181.06480	2.4
184.05196	1.6
185.05949	5.8
187.03874	1.4
189.05440	1.5
189.09148	1.2
193.04974	5.5
199.07568	4.9
202.06212	2.0
205.04933	7.4
207.06480	1.4
213.05550	2.1
213.09282	1.2
217.04973	5.6
217.08633	16.4
227.07027	2.6
229.05045	1.7
229.08522	13.7
235.06041	4.6
239.07089	1.3
241.08586	5.6
242.05669	2.1
243.06660	1.4
245.08070	100.0
253.08502	2.3
255.06404	1.2
256.07465	1.2
257.08066	15.6
258.09039	1.5
259.05881	1.6
259.09613	8.0
269.08044	12.1
271.06070	4.9
271.09680	5.4
272.06775	1.8
273.07672	7.3
281.08313	1.3
283.05984	2.3
283.09354	1.1
285.07587	4.8
287.04337	1.4
287.09146	43.8
299.09103	6.1
300.46417	1.1
303.08563	1.9
311.09171	7.2
311.50607	1.2
315.08691	4.6
329.10184	5.7
343.08215	1.4
359.08844	1.8
363.12241	2.6
376.09454	10.5
391.11719	49.0
419.11270	10.3
437.12308	32.1
449.12234	1.8
479.13428	5.9
555.16595	2.3
573.17596	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	573.246
Annotation	Pulcherrimin C
Peak:m/z	Relative Intensity
54.19596	0.9
56.39738	0.9
64.40844	1.1
64.97058	1.1
67.75830	1.0
71.20083	0.9
72.14994	1.1
110.68805	1.0
341.15131	1.2
573.24512	100.0
573.48773	1.8
585.65668	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	573.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
56.87144	0.5
58.86504	0.5
67.05502	0.9
79.05489	0.6
81.07041	1.3
83.01083	0.5
91.05477	1.2
92.17858	0.7
93.07041	3.5
95.04961	0.7
95.08589	1.2
105.07022	2.5
109.06513	1.0
112.06721	0.5
119.08553	5.1
121.06490	2.1
121.10114	0.9
123.04398	0.7
123.08098	2.3
127.03720	1.0
129.07040	1.1
131.08601	0.5
133.10129	5.4
137.09560	0.7
143.08502	0.6
145.10106	1.4
147.08044	6.6
147.11652	0.6
157.10135	2.7
159.11707	3.7
163.07594	0.8
165.09146	4.7
169.10147	0.9
171.11649	2.2
173.13188	0.7
183.11711	3.0
191.06827	0.8
197.13235	2.6
199.14873	0.6
207.11711	0.8
209.13339	0.7
211.14816	1.1
221.13258	0.7
223.14780	2.2
225.12688	1.1
225.16498	1.1
234.14029	1.2
239.17931	2.6
249.16423	2.2
267.17365	6.1
284.61417	0.6
349.17743	9.5
367.18958	2.6
409.19882	8.0
453.22498	2.8
513.24664	6.6
561.23260	0.9
573.26709	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	573.285
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76136	1.4
92.17885	2.1
92.86156	1.6
106.06056	1.6
193.09419	1.6
237.09076	2.7
250.06126	1.7
255.10143	3.7
265.08643	7.9
267.10297	2.2
277.43719	2.2
281.08075	8.2
282.08887	12.0
282.12354	2.5
283.09598	11.9
296.10416	67.9
296.13458	2.9
297.14816	1.9
307.13293	15.7
309.11133	31.9
310.11951	2.3
317.08472	2.1
321.48935	1.9
324.13538	67.3
325.14331	100.0
332.90073	1.6
370.18994	1.9
573.28461	99.6
573.48163	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	573.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
58.85515	1.3
62.69400	1.1
67.05502	1.4
69.07047	1.8
74.23077	1.4
79.05489	8.1
81.07062	2.7
82.63622	1.4
91.05481	3.3
93.07035	27.7
95.04971	2.2
95.08610	12.7
100.33598	1.3
105.07030	12.5
107.04948	7.0
107.08563	6.8
108.05243	1.6
109.10145	3.1
119.08598	13.1
121.06449	1.7
121.10135	100.0
123.04423	18.7
131.08563	2.5
133.10146	8.4
135.11710	3.4
139.03893	8.9
145.10098	8.7
147.04408	8.3
147.11646	3.2
151.03900	21.5
153.05472	9.2
159.11755	1.4
161.06030	1.8
161.09627	1.4
163.03917	5.0
163.11189	5.3
165.05492	10.1
171.11601	5.1
173.13217	6.1
177.05466	5.9
179.07024	1.8
180.10187	2.6
183.11766	1.6
185.13193	1.9
187.14981	1.8
189.05455	31.7
191.06999	14.3
205.15858	2.8
217.08582	10.3
219.06499	5.0
229.08572	35.7
231.10146	5.8
243.10127	3.3
257.11682	2.2
259.13412	2.5
271.20572	1.4
283.20700	2.0
285.07550	2.4
301.14313	12.6
303.08670	7.3
313.11890	6.8
314.12518	2.1
341.10175	32.0
381.13199	5.5
403.22714	6.1
421.23749	32.0
453.18811	1.4
479.26303	2.5
490.03180	1.5
573.27783	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06842	3.2
69.43227	3.7
79.05453	4.4
92.17810	3.7
93.07042	6.2
105.07038	8.3
107.04947	18.1
107.08577	4.5
119.04942	5.0
121.10129	21.7
131.04959	4.7
137.05968	100.0
147.04408	6.0
149.05983	4.6
151.03899	6.3
151.07573	36.7
157.06560	4.7
161.05949	77.7
161.09625	16.2
163.07497	39.9
175.07549	15.4
189.09097	63.5
203.07031	9.8
204.07825	18.9
207.10129	50.3
217.08495	6.0
219.08110	5.6
219.10181	18.0
227.10678	5.6
229.08485	4.2
230.09006	6.0
237.09189	8.0
244.22345	4.1
246.87190	4.1
253.08684	6.5
261.09235	5.8
265.08591	34.5
267.09671	4.3
268.13589	3.9
276.49512	3.5
277.08652	17.5
279.10199	19.5
285.11255	4.8
291.10144	7.0
295.09903	6.5
296.10663	4.8
297.11264	19.4
307.09558	5.8
309.11133	8.0
310.12064	5.1
311.12860	5.4
321.11221	20.7
327.12109	6.9
329.13971	7.2
339.12448	6.4
340.12973	19.6
341.13995	8.7
355.15128	12.1
479.20740	25.0
491.20514	6.1
509.21515	20.4
521.21729	8.0
539.22479	25.6
574.28253	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	574.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06842	3.2
69.43227	3.7
79.05453	4.4
92.17810	3.7
93.07042	6.2
105.07038	8.3
107.04947	18.1
107.08577	4.5
119.04942	5.0
121.10129	21.7
131.04959	4.7
137.05968	100.0
147.04408	6.0
149.05983	4.6
151.03899	6.3
151.07573	36.7
157.06560	4.7
161.05949	77.7
161.09625	16.2
163.07497	39.9
175.07549	15.4
189.09097	63.5
203.07031	9.8
204.07825	18.9
207.10129	50.3
217.08495	6.0
219.08110	5.6
219.10181	18.0
227.10678	5.6
229.08485	4.2
230.09006	6.0
237.09189	8.0
244.22345	4.1
246.87190	4.1
253.08684	6.5
261.09235	5.8
265.08591	34.5
267.09671	4.3
268.13589	3.9
276.49512	3.5
277.08652	17.5
279.10199	19.5
285.11255	4.8
291.10144	7.0
295.09903	6.5
296.10663	4.8
297.11264	19.4
307.09558	5.8
309.11133	8.0
310.12064	5.1
311.12860	5.4
321.11221	20.7
327.12109	6.9
329.13971	7.2
339.12448	6.4
340.12973	19.6
341.13995	8.7
355.15128	12.1
479.20740	25.0
491.20514	6.1
509.21515	20.4
521.21729	8.0
539.22479	25.6
574.28253	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	574.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05019	1.5
62.43394	1.1
62.45729	1.1
69.07072	1.1
71.04176	1.0
78.03463	7.9
79.05506	1.9
80.05046	2.1
81.03445	1.2
81.07085	1.4
91.05511	2.9
93.07027	2.9
95.04980	1.6
95.08627	1.5
105.07040	7.3
106.02913	47.9
107.08593	2.2
109.06539	1.5
109.10198	1.1
119.04900	1.2
119.08582	5.3
121.06491	2.1
121.10150	2.5
124.03938	100.0
129.06982	2.7
131.08508	4.1
133.06523	1.4
135.08061	5.6
136.26479	1.2
141.06982	1.4
143.08592	6.0
145.06511	2.3
145.10185	2.6
147.08063	4.9
149.05957	2.0
149.09604	1.5
155.08559	6.0
157.10135	2.8
159.08076	4.9
161.09608	1.7
165.06966	9.0
166.07841	2.0
167.08554	15.0
169.10065	10.4
175.11243	1.4
179.08534	17.0
180.09294	15.6
181.10074	14.7
183.08092	1.4
183.11729	7.3
185.09628	2.8
192.09402	1.7
193.10199	11.5
194.10916	18.0
195.07980	1.9
195.11674	45.1
197.09622	1.6
197.13330	1.9
199.11230	2.0
199.14842	1.6
204.09297	4.5
207.11723	6.8
208.12541	2.3
209.09805	2.0
209.13242	38.8
211.11259	8.5
213.12738	2.2
219.11717	13.3
221.09656	1.8
222.10469	7.9
225.12657	1.7
227.14375	6.2
233.90527	1.3
237.12761	28.9
238.39424	1.5
255.13750	17.8
267.17487	2.1
277.15991	2.4
283.95486	1.2
295.16974	2.4
297.14954	12.5
313.17981	1.5
315.15887	15.2
397.16177	4.1
418.19824	1.8
420.18045	6.3
435.43741	1.3
438.19162	7.5
478.22534	2.2
480.20142	1.7
574.26245	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	574.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90525	1.7
67.58179	2.0
74.06083	35.5
81.07076	3.0
82.47575	2.1
91.05469	26.3
105.07021	3.5
107.08572	2.2
109.23982	2.1
111.73720	2.1
119.04935	31.9
119.08558	8.3
123.53527	2.5
125.29991	2.1
131.08511	3.6
132.08092	49.5
141.07007	3.0
143.08551	4.3
145.10057	2.0
147.04405	3.2
150.09137	85.1
150.10268	3.4
171.11748	2.7
178.08687	2.9
181.10114	3.3
192.10210	100.0
193.10178	4.2
199.11089	5.2
219.11693	3.4
220.09694	80.4
221.09706	2.7
234.13911	2.4
249.16391	2.6
277.15863	4.7
289.06693	2.6
295.16971	11.9
337.18011	16.9
428.21512	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	574.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
57.03423	0.5
65.39382	0.4
66.43192	0.5
69.03430	6.2
69.07055	2.7
77.03943	0.6
79.05486	2.2
80.47698	0.4
81.03419	13.0
83.47340	0.4
85.02901	9.2
86.08470	0.5
95.04964	3.3
97.02885	9.5
99.04482	1.0
100.65019	0.5
102.81936	0.5
105.03389	100.0
109.02877	12.3
123.04408	12.3
123.41013	0.5
127.03918	8.4
145.04941	1.1
145.52760	0.4
190.02194	0.5
231.06538	1.1
249.07547	25.3
267.08597	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76806	3.9
68.19799	4.2
77.21526	3.6
88.74176	4.9
88.89456	3.9
93.07046	17.5
98.02660	5.0
105.07016	9.1
109.06501	8.8
111.87492	4.1
119.08566	27.3
133.10133	8.5
143.08510	7.9
145.06511	6.7
147.08092	7.9
155.08449	6.3
157.10098	24.2
159.08046	8.9
161.09656	22.4
167.08525	5.5
169.10143	10.1
171.11649	8.1
173.09657	7.1
179.08575	10.6
183.11708	9.6
187.11139	18.3
193.10248	5.2
195.11703	27.5
197.09686	8.4
197.13298	7.0
199.11351	6.8
199.36295	5.3
206.10898	10.9
209.13277	17.6
211.11206	9.3
211.14799	31.8
213.12791	7.8
221.13388	36.2
223.11133	8.7
223.15054	4.8
224.11964	5.2
235.14738	5.0
237.12700	7.9
237.16432	18.7
239.14252	56.3
241.15936	6.1
255.17372	8.2
256.14853	4.6
257.15390	9.0
269.18802	5.8
279.17441	60.6
297.18481	55.5
299.16373	11.3
315.19571	19.8
317.17511	100.0
339.19513	17.5
357.20657	27.5
375.21841	7.5
417.22678	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	575.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49075	1.0
67.05513	1.5
91.05457	1.9
95.04944	2.0
101.73350	1.2
105.07034	1.4
107.04955	27.4
119.04932	30.0
119.08551	5.6
121.02828	1.7
125.02401	1.2
133.06558	1.5
133.10126	3.0
137.05919	2.4
141.05473	2.6
145.10095	1.5
147.04401	27.1
147.07947	1.8
152.91541	1.5
153.05504	5.0
163.03868	6.5
165.05466	7.5
171.11671	2.3
177.01299	1.7
181.04938	9.6
205.04936	5.2
213.09026	2.1
223.05658	1.9
227.07025	3.2
241.08574	8.4
245.08142	13.5
257.08026	1.6
259.09692	1.8
267.09875	25.5
269.08090	6.7
271.05991	2.6
271.10703	1.8
285.07419	2.7
287.09094	30.5
303.05554	1.3
303.08527	9.7
315.08600	5.9
319.06683	1.6
320.13724	1.5
335.16083	6.3
353.17239	1.3
382.21176	9.9
395.18185	5.9
408.19165	13.8
421.12817	1.7
438.20306	3.0
439.13867	6.4
455.20349	100.0
515.22565	17.7
575.24207	26.0
575.50885	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	575.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87420	1.3
54.33311	1.4
59.08889	1.5
67.05509	1.8
79.05482	3.7
81.07051	2.5
83.29839	2.0
85.75185	1.6
92.18523	2.3
95.04973	2.4
95.08582	3.7
97.02859	2.5
105.07018	7.0
107.08574	2.2
108.33419	1.6
109.10188	1.7
117.29713	1.5
119.08559	10.6
119.42542	1.6
120.01821	6.6
121.06503	2.3
121.10168	6.2
123.04364	7.1
131.08643	1.9
133.10130	3.4
135.08049	2.8
137.05951	18.6
138.02859	8.6
139.03766	2.1
143.08563	8.1
145.10072	5.5
147.04448	3.7
147.08005	5.4
147.11697	1.8
151.03822	2.5
155.08565	6.8
156.09314	3.1
157.10121	8.8
165.05496	3.5
169.10046	6.0
171.11659	7.8
173.13199	2.6
181.10120	2.9
182.10907	8.2
183.11685	17.8
191.07011	9.6
197.13268	15.6
198.14075	3.7
199.11212	3.6
199.14798	6.7
209.13327	2.6
217.08525	1.9
221.13210	2.5
235.14862	1.8
261.92999	1.8
265.12152	2.2
303.08496	3.5
315.13388	11.0
335.16129	7.1
343.11646	8.2
353.17163	22.9
369.13452	2.2
395.18298	36.7
413.19296	29.3
423.25281	3.4
455.20346	100.0
473.21860	2.5
491.21820	1.8
515.22467	63.3
575.23853	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	575.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74219	0.9
95.04976	1.4
105.07060	1.0
105.51219	1.2
107.04976	1.7
107.08570	1.6
119.08525	1.6
123.11689	1.0
135.08095	1.8
137.09618	1.4
145.10139	1.6
158.82831	1.0
159.11809	1.3
173.09686	1.9
183.11536	1.3
193.10196	1.7
194.14185	1.0
217.12177	1.3
261.07635	1.5
271.10788	29.4
366.02588	1.0
379.15390	7.2
391.16467	7.9
395.18152	8.9
407.18277	2.3
408.19174	100.0
413.19452	12.6
436.18555	4.9
438.20251	12.4
455.20267	17.6
473.21478	7.8
515.22552	14.9
545.27356	2.0
575.29407	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	575.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58432	6.5
69.03443	7.1
69.79127	5.7
81.07066	6.9
83.53860	6.0
93.07031	12.7
105.07040	41.5
107.08582	14.9
109.06506	12.2
119.08630	9.8
121.06501	38.1
121.10176	6.5
131.08525	11.3
133.06479	32.4
133.10178	8.5
135.08038	10.6
137.05956	11.6
143.08517	9.0
145.10153	9.5
147.41895	7.1
155.08598	9.7
157.10123	10.8
159.08067	10.1
161.09613	31.3
169.10110	9.0
173.09589	11.0
177.09126	14.5
181.10078	14.6
183.11670	8.3
185.09573	10.1
193.10060	8.4
194.25441	7.1
195.11690	31.7
206.10921	6.8
207.11938	8.1
209.09601	14.9
209.13179	9.5
210.10451	7.2
211.11156	14.1
213.12650	10.0
217.10123	10.0
223.11249	24.8
223.14787	25.8
225.12709	13.2
227.10684	10.7
232.12425	24.7
237.12677	6.7
237.16507	8.7
241.12201	25.4
241.15967	7.4
247.14807	28.1
249.12854	8.8
250.13451	11.7
251.10565	8.1
251.14388	8.4
253.12303	6.9
260.11972	15.7
265.15891	38.2
269.11655	12.7
275.14346	34.2
283.16928	13.4
293.15225	72.9
303.05078	7.7
311.12982	7.7
311.16492	48.2
311.19724	7.3
329.17770	9.0
335.16394	11.0
353.17419	36.3
365.17560	11.8
371.18475	33.3
382.56784	7.7
395.18503	8.3
413.19672	32.6
431.20621	26.2
455.20496	46.5
473.21793	26.6
491.22778	100.0
515.22528	14.2
575.24805	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76417	0.6
58.11586	0.6
74.13689	0.6
85.54025	0.7
89.33186	0.6
89.71900	0.7
109.38177	0.7
119.08556	0.7
123.04462	2.4
147.04410	0.6
191.07074	0.9
209.16861	0.6
271.10782	27.4
271.13684	1.1
303.08575	0.6
343.11722	1.1
364.13269	1.1
364.20145	0.9
379.15262	6.5
382.21124	1.4
391.16522	10.4
407.18427	4.3
408.19168	100.0
423.25375	0.7
438.20206	11.2
475.18442	0.8
510.00558	0.7
545.27655	3.7
556.46051	0.8
575.28717	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78085	0.4
75.25143	0.5
75.38383	0.4
87.47648	0.6
93.65958	0.5
103.47266	0.6
105.62943	0.4
134.14798	0.5
155.74539	0.5
164.10645	0.7
271.07928	1.0
271.10748	26.2
315.13260	3.5
364.12878	2.1
364.20062	0.7
379.15244	7.4
380.19565	0.8
382.21179	0.7
390.18069	0.6
391.16422	8.1
393.16721	0.5
407.18280	4.3
408.19144	100.0
436.18652	2.6
438.20218	10.0
545.27753	1.1
575.28650	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11990	0.2
54.32521	0.2
59.34595	0.2
69.79768	0.2
103.78836	0.3
120.08007	0.3
122.05965	0.4
138.09094	0.6
140.06993	1.4
148.07474	1.4
168.06532	3.5
227.11740	0.6
255.11256	6.6
269.12778	2.0
287.13828	1.2
297.12314	6.7
299.13797	1.2
315.13354	100.0
316.14105	3.7
341.52789	0.4
382.21378	0.4
412.22311	0.5
431.92798	0.4
455.20441	1.8
462.34326	0.4
575.28729	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	575.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04038	0.4
67.37930	0.4
83.07700	0.5
95.42313	0.5
96.57059	0.5
119.04868	0.6
122.05948	0.7
138.09151	1.7
147.04391	0.8
148.07605	0.5
150.36130	0.5
173.49057	0.5
188.31693	0.5
209.76382	0.5
241.66206	0.5
245.08414	0.6
271.07919	1.1
271.10757	29.7
306.73459	0.5
315.13318	3.0
351.13956	0.5
363.16443	0.9
364.12766	2.0
379.15155	5.4
380.19672	1.2
382.21228	0.8
391.16483	7.3
392.15762	0.5
393.16971	0.6
406.17355	1.2
407.18213	3.1
408.19138	100.0
438.20163	9.1
545.27466	3.1
575.28607	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19366	0.3
53.74428	0.3
63.45453	0.3
63.64310	0.3
67.02003	0.3
85.33376	0.3
85.62392	0.3
107.04868	0.7
119.04938	0.3
121.79058	0.3
123.04433	0.4
137.05902	0.3
138.09116	0.7
140.06998	1.6
141.89398	0.3
148.07591	2.4
151.03836	0.4
153.35030	0.3
168.06610	3.3
193.47089	0.4
201.56149	0.3
213.54440	0.3
217.12347	0.5
219.10179	0.3
225.10239	0.6
227.11755	1.6
243.11169	0.4
245.12825	2.8
255.11278	6.3
269.12808	2.2
287.09180	0.4
287.13922	3.0
297.12323	5.2
298.10394	0.3
299.13928	0.5
315.13364	100.0
316.14139	5.8
326.70380	0.3
365.31439	0.3
382.21204	12.8
408.19138	2.2
412.22235	1.9
438.20010	1.4
455.19992	0.5
545.27521	0.6
575.28638	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76049	1.3
53.07795	1.3
53.26605	1.7
54.07685	1.4
58.69537	1.3
67.05495	10.6
69.07069	2.1
71.89291	1.4
81.07053	3.0
83.04971	3.4
83.08630	1.7
91.05453	2.3
93.07040	2.9
95.04951	24.3
95.08591	16.7
105.03383	2.7
105.07030	6.0
107.08601	7.0
109.10158	11.1
114.09100	1.7
119.04918	2.6
119.08579	19.6
121.10128	11.0
123.04411	44.9
123.11767	1.9
125.02323	2.4
133.10097	12.3
135.04382	3.5
135.08099	1.9
135.11702	3.8
137.05981	2.2
139.03864	11.9
145.10095	3.7
147.04433	24.8
147.11707	4.0
151.03902	56.0
151.05052	3.0
153.05455	24.8
157.09975	1.7
159.11659	3.1
161.13226	3.2
163.03841	13.3
163.07526	10.4
165.05440	25.0
171.11655	1.8
173.05991	2.2
173.13258	3.6
175.14813	26.7
177.05463	6.4
179.07013	8.6
181.04947	6.7
187.07487	2.0
189.05437	20.6
189.16373	2.8
191.07027	100.0
193.04953	2.9
193.08598	8.8
203.06964	3.4
205.08591	31.5
207.06548	2.3
213.16393	1.9
215.17650	1.8
217.08571	2.9
219.06503	3.4
221.08076	3.3
233.08006	5.6
233.18988	1.8
235.09647	2.6
285.07474	11.6
285.22064	20.6
303.08578	28.7
341.09991	17.2
343.11728	78.5
357.13477	3.4
395.18478	2.4
405.24246	3.2
413.19699	2.9
423.25247	15.5
455.20172	3.3
515.23022	2.1
557.28986	7.0
575.23242	5.0
575.29865	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	576.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41879	1.8
55.52529	2.1
56.05043	2.6
70.83837	2.2
74.06084	27.3
91.05461	5.1
107.04939	3.3
112.45521	1.9
119.04935	20.4
122.69819	3.0
132.08092	5.4
147.04422	12.0
150.09122	3.0
165.06982	8.7
167.08543	15.2
169.10158	2.9
178.08678	5.0
179.08601	18.0
180.09317	13.3
181.10085	11.4
189.14531	2.3
192.10202	12.0
193.10120	2.9
194.10858	26.1
195.08066	4.4
195.11691	48.9
204.09348	4.7
209.09671	4.9
209.13243	45.5
211.11183	10.8
219.11705	11.9
220.09639	38.9
222.10349	21.9
237.12720	100.0
238.10814	2.8
255.13788	27.8
273.87637	2.3
278.24350	2.1
280.11853	5.3
297.14893	27.9
313.74109	2.2
384.68301	3.5
576.31433	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	576.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16650	1.3
65.76083	1.2
67.05482	2.8
69.03419	5.1
69.07092	1.3
71.05016	1.9
75.72567	1.2
81.03442	2.3
85.02904	2.5
91.05474	2.7
93.07037	8.0
95.08602	44.7
97.02892	5.8
99.04453	6.0
109.02867	6.3
109.09532	1.8
109.10169	25.0
113.06001	2.7
119.08577	23.4
127.03894	8.5
137.05991	9.3
137.09615	100.0
141.05386	1.8
151.03906	2.0
155.10666	20.6
157.83270	1.4
165.09102	30.0
183.10146	16.1
190.28113	1.5
199.14764	1.6
201.11206	33.1
203.11072	1.7
246.66136	1.5
257.08054	1.8
291.12213	2.6
309.13324	46.1
317.01364	1.5
327.14413	5.4
345.15411	14.1
433.64847	1.4
493.21603	1.8
576.21356	2.6
576.30475	1.8
601.13696	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	576.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45499	1.0
59.76567	1.1
65.82706	1.3
70.86810	1.1
83.49329	1.2
91.05446	2.2
95.36357	1.3
103.05466	2.6
105.07051	1.8
107.04965	1.2
119.04915	2.9
131.04924	10.5
133.06496	5.9
137.05971	100.0
137.09639	2.6
147.04387	2.7
151.07576	15.0
157.12166	1.5
159.07851	1.7
161.05974	7.4
163.07513	18.5
165.09099	3.0
171.07996	1.7
175.07536	11.4
177.09148	2.7
179.03563	1.2
187.07573	2.7
189.09123	6.6
201.09096	1.5
213.09126	2.0
215.20190	1.4
225.09186	1.8
227.10641	6.6
233.09586	2.1
261.08945	2.9
265.08414	1.7
267.10181	1.5
285.11322	2.2
287.12778	5.8
293.11737	2.7
297.11130	1.4
309.13293	1.5
311.12781	2.2
325.14227	1.3
329.13760	4.7
351.15967	5.9
369.16864	6.8
381.16800	8.4
409.19470	1.7
475.21173	8.9
487.20734	2.0
493.22183	16.8
505.21738	2.1
546.26776	1.3
561.10468	1.4
576.29047	1.5
578.68909	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	577.1342
Annotation	Proanthocyanidin A2
Peak:m/z	Relative Intensity
51.07203	0.7
53.09523	0.7
56.23281	0.9
69.07092	0.9
78.90266	0.9
80.29476	0.8
98.36118	0.8
103.18293	1.0
107.04967	2.1
113.09651	1.1
119.04942	2.2
123.04417	46.4
127.03902	1.0
135.04413	4.9
139.03885	10.0
147.04416	9.8
151.03899	69.1
153.05447	8.0
163.03873	12.0
165.05444	6.3
169.56239	0.9
181.04942	34.7
189.05525	1.9
190.10867	0.9
199.03992	1.3
205.05104	1.1
213.05490	1.1
215.03400	2.2
217.04947	12.3
227.03366	5.1
229.05009	1.9
241.04768	1.1
241.87920	0.9
243.06462	0.9
245.04420	100.0
257.04453	5.7
257.92505	0.9
263.42581	1.0
265.15619	1.0
269.04541	1.1
287.05392	1.2
301.07013	1.0
351.08630	1.1
361.06995	4.3
379.07974	2.1
397.09012	8.4
407.07611	1.4
425.08551	19.0
559.31128	1.9
577.13379	83.4
577.31549	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	577.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97942	2.8
54.50218	2.5
61.13301	3.0
63.44631	3.1
87.49157	3.4
88.90560	2.9
107.04954	88.4
111.00750	11.7
111.04456	11.0
114.75724	2.9
119.04939	64.4
119.81422	3.0
121.02866	13.6
123.04430	89.3
127.03940	13.1
133.06514	5.0
135.04424	38.8
137.02348	4.0
139.03899	39.9
145.06471	20.3
147.04390	65.2
149.02357	13.2
151.03874	23.7
153.05464	100.0
157.06583	3.6
161.05978	6.0
163.03932	35.2
165.05466	40.6
167.03371	22.0
171.04436	11.8
177.05467	5.6
185.05951	5.1
189.05502	21.1
195.06537	12.9
203.03423	6.6
205.04915	43.9
212.43066	2.9
213.05482	4.2
217.04961	4.1
227.06960	3.6
229.04921	7.6
231.06538	92.7
243.06355	3.7
245.04482	13.5
245.08058	4.2
247.06012	47.9
255.06589	14.0
257.04367	28.1
257.08124	5.2
259.06015	14.5
271.05984	31.4
273.07611	23.9
283.05823	3.8
287.05545	51.4
289.07050	80.8
301.07068	60.5
305.10120	57.8
313.06967	5.3
317.10818	4.0
379.08038	12.8
409.09000	12.0
423.10651	12.7
425.07629	6.6
425.13022	30.4
441.11810	6.4
451.10672	3.8
556.18463	3.0
577.13464	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	577.1707
Annotation	Fisetinidol-(4alpha->8)-6-C-methylcatechin
Peak:m/z	Relative Intensity
55.26439	2.9
60.77611	3.2
93.03387	3.6
107.04962	77.8
111.04430	7.4
119.04942	59.7
121.02889	7.9
123.04429	89.6
127.03922	15.1
135.04420	49.2
139.03902	40.9
141.05524	3.4
145.06476	16.1
147.04408	86.7
147.05388	3.4
149.02390	3.3
151.03905	36.5
153.05473	100.0
161.05986	8.0
163.03929	38.8
163.86345	4.0
165.05467	42.0
167.03365	21.8
168.17018	3.6
171.04436	12.6
177.05479	4.3
179.03427	5.9
185.05981	5.1
189.05467	17.5
195.06572	7.4
198.10269	3.1
201.08797	3.7
203.03400	4.9
203.07144	3.9
205.04961	32.1
227.07118	6.3
231.06531	59.9
235.86749	3.6
239.07080	4.0
241.04910	4.5
245.04395	15.5
245.08174	5.3
247.06050	47.4
255.06499	15.0
257.04507	20.3
257.08096	6.2
258.05136	3.7
259.06027	5.0
269.04587	3.6
269.88382	3.5
271.06073	26.2
273.07550	36.9
274.27719	3.6
287.05362	24.8
289.07068	57.7
301.07101	43.1
305.10178	89.8
318.57996	4.3
379.08282	14.1
389.63678	3.3
407.07474	4.6
409.09082	18.6
423.10577	5.2
425.07861	7.3
425.13327	23.3
451.10367	4.4
577.13068	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	577.1705
Annotation	Fisetinidol-(4alpha->8)-6-C-methylcatechin
Peak:m/z	Relative Intensity
53.60774	1.4
55.01873	1.9
56.59561	1.5
61.32690	1.8
71.41764	1.7
73.48440	1.5
77.90252	1.9
81.96864	1.6
84.67927	1.8
92.61359	1.8
107.04946	100.0
111.00823	2.3
111.04420	7.0
119.04930	60.0
121.02836	7.0
123.04416	69.4
127.03881	7.9
133.06512	3.0
135.04393	13.1
137.05966	3.6
139.03897	19.3
141.05498	4.4
145.06448	13.3
147.04391	82.8
149.02316	3.7
149.65326	2.1
151.03889	28.9
153.05450	50.0
161.05980	7.2
163.03876	23.2
164.58862	2.0
165.05449	29.4
167.03339	12.3
171.04396	6.9
177.05354	2.4
179.03319	6.5
181.04994	14.3
181.06302	2.1
185.06010	2.4
185.84663	1.8
187.07513	2.0
189.05418	13.4
193.04980	2.5
195.06445	3.2
203.03372	8.1
203.06940	3.5
205.04933	18.0
207.06432	1.9
213.05310	2.4
217.04921	11.0
227.07021	7.9
231.06535	35.2
241.08591	3.9
243.06508	2.1
245.04433	37.4
245.08081	12.0
247.05997	14.7
255.06468	10.0
257.04413	40.3
257.07391	3.1
257.07965	2.9
259.05975	4.2
267.06528	3.9
269.04401	9.9
269.08066	3.2
271.05927	29.3
273.07458	22.3
283.05710	2.2
285.07642	8.6
287.05496	15.2
287.09079	17.3
289.07062	30.2
301.07022	64.8
301.10239	3.4
305.10150	38.5
313.06979	4.1
344.41394	2.2
407.11371	16.3
409.08865	24.9
423.10611	12.0
425.12994	15.7
437.11960	2.5
441.11829	20.2
453.11569	2.4
559.16144	3.3
577.13739	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	577.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84954	1.4
69.25056	1.6
84.86423	1.5
87.22325	1.5
89.15821	1.5
89.60473	1.4
91.05516	2.2
91.46461	1.4
92.17941	3.0
101.85960	2.0
107.04955	87.7
107.05695	3.1
111.04453	2.0
119.04945	99.5
121.02857	8.1
123.04427	30.0
125.02344	10.5
133.06477	3.2
134.55418	1.7
135.04393	2.1
137.05968	2.8
139.03944	8.6
141.05490	15.2
145.06497	3.5
147.04410	98.1
147.05586	3.6
151.03932	6.8
153.05461	14.0
161.06009	7.1
163.03876	24.3
165.05466	18.0
171.04378	6.9
179.03416	14.4
181.04961	48.0
181.06451	4.7
189.05510	3.7
191.03429	6.0
191.06912	1.9
200.02385	1.8
203.03386	4.0
205.05061	6.8
209.06046	2.9
213.05357	2.6
213.09146	10.8
219.06458	3.4
225.41444	1.6
227.07074	12.4
229.08658	2.0
231.06432	3.8
239.06990	2.7
241.08607	32.3
243.06628	8.0
245.08075	31.7
247.06030	20.8
255.06500	2.1
257.04355	1.8
257.08081	12.2
259.05963	4.0
259.09662	11.1
267.06561	12.8
269.08066	22.7
271.05923	22.8
273.07629	3.6
285.07602	16.9
287.09119	100.0
289.07166	12.9
301.07022	28.7
305.10321	3.6
313.07217	3.2
407.11279	10.7
408.19202	2.2
409.19336	3.1
410.19836	3.9
423.10712	10.3
425.12610	14.7
441.11816	11.8
577.17346	14.8
577.28699	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	577.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96746	1.9
59.21412	2.4
61.59497	2.2
62.10000	1.8
68.06519	2.0
95.04962	3.1
100.01610	2.8
107.04964	100.0
111.04446	3.2
119.04942	53.7
121.02878	4.4
123.04430	58.8
127.03922	11.5
133.06491	5.2
135.04416	17.6
137.05920	5.4
139.03902	21.3
141.05475	3.1
143.28596	2.2
145.06506	11.7
147.04413	66.9
149.02318	8.8
151.03934	19.9
153.05466	88.9
153.50224	2.3
161.05998	8.8
163.03876	19.2
165.05441	24.7
167.03413	21.7
171.04408	11.6
177.05518	4.7
179.03369	4.3
179.06989	3.5
183.06615	3.1
185.05977	3.4
187.07582	8.4
189.05453	14.4
193.04968	3.2
195.06516	2.6
199.07518	3.4
201.05501	3.1
203.03333	3.2
205.04951	29.8
213.05431	4.1
217.04964	3.7
227.07066	9.6
231.06514	61.5
245.04442	9.3
245.08055	3.7
247.05981	23.2
253.93359	2.6
255.06531	10.7
257.04425	12.6
257.08124	4.5
258.05154	2.5
259.05945	4.0
271.06064	25.5
273.07590	32.5
275.05270	2.2
287.05539	15.6
287.09158	2.2
289.07080	44.7
301.07007	42.8
305.10220	67.2
313.06754	3.9
379.07983	4.1
407.11365	11.2
409.08661	2.6
419.15045	2.5
423.10693	7.4
425.12631	23.3
441.11670	5.1
515.31451	2.8
577.17371	13.1
577.32446	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	577.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31037	3.4
69.07089	4.0
79.05475	7.7
81.07048	6.1
85.90505	3.5
93.07027	15.4
95.04974	8.1
95.08610	5.4
103.90349	3.9
105.07035	8.5
107.04974	5.3
107.08573	6.1
111.04430	8.3
119.08568	15.7
121.06476	7.0
121.10145	17.4
123.08078	5.7
129.07002	4.2
133.10141	5.1
135.08049	8.2
137.09612	6.3
143.08560	7.0
145.10130	24.3
147.08089	9.3
149.09532	12.0
155.08543	5.9
157.10126	4.8
159.08061	6.4
159.11693	5.7
161.09625	16.9
169.10141	7.7
171.11664	5.9
173.09547	7.3
174.07886	4.1
177.09248	4.1
179.08533	6.1
183.11803	8.0
187.11292	6.9
195.11739	5.8
197.13243	8.9
199.11130	4.6
205.12297	6.1
207.11714	8.5
209.09593	4.1
209.13342	6.4
211.11285	6.3
213.12997	5.1
215.78044	4.6
219.11697	6.5
223.11162	4.3
225.12787	5.1
229.12343	4.6
233.13100	4.3
234.13998	4.1
236.15755	4.0
236.25931	5.1
241.12225	3.9
249.16367	6.1
255.37302	3.8
267.17413	9.4
277.15848	5.1
289.39975	3.9
295.16843	35.2
313.17957	100.0
331.19272	5.4
355.19046	45.8
373.20114	21.9
396.90250	5.2
415.21442	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	577.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00799	3.6
58.87587	3.9
58.97477	4.4
67.05510	4.6
69.07045	5.5
71.64568	3.9
79.05494	4.8
79.08504	3.9
81.03376	4.1
83.04985	4.5
84.44317	4.2
91.05437	8.0
93.07020	8.0
95.04913	6.3
95.08588	6.6
97.06526	7.5
105.07027	28.7
107.08595	18.5
109.06553	5.7
109.10129	5.3
119.08578	20.9
119.84969	4.3
121.06528	5.5
121.10114	7.8
129.06958	10.8
131.08545	24.8
133.06480	22.7
133.10095	57.9
133.35147	5.2
135.08028	7.2
137.09572	8.9
143.08563	37.0
147.08052	11.2
149.09616	8.1
155.08574	21.3
157.10086	22.4
159.07979	21.6
159.11665	9.0
161.09695	6.9
163.11214	5.3
168.09325	5.1
169.10136	38.5
169.11386	6.2
171.08008	6.6
171.11728	18.4
173.09529	6.0
179.08496	9.8
181.10146	21.0
182.10986	4.7
183.08000	6.5
183.11681	32.2
185.09535	6.2
187.11053	6.3
188.48007	4.4
192.09344	18.4
193.10095	33.0
194.10884	8.3
195.11708	9.5
197.09616	23.0
197.13275	8.5
199.11028	8.3
204.09377	9.6
206.10922	7.8
207.11667	51.6
208.12439	8.5
209.09679	7.9
209.13269	28.7
211.11186	20.3
213.12718	7.3
217.10040	6.4
219.11667	25.6
220.12396	37.7
221.09566	5.1
221.13246	20.6
223.11302	5.8
223.14871	10.7
225.12689	11.2
225.16258	6.1
229.10062	7.5
233.13206	8.4
234.13995	55.9
235.11041	20.1
235.14754	33.4
237.12709	5.9
239.14253	8.0
239.17896	6.0
244.12460	29.4
247.11108	20.7
247.14702	11.2
248.12048	5.5
249.16370	72.2
259.14758	18.9
262.13501	34.2
265.15839	5.4
267.17404	30.6
277.15845	99.8
285.18579	5.3
295.16928	100.0
313.17990	22.6
337.18039	27.1
355.19012	50.7
397.19775	6.9
415.21118	25.1
577.25922	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32357	6.2
53.98110	8.1
91.05477	9.7
93.07056	11.9
95.08596	9.0
105.07033	39.1
107.04967	9.4
107.08578	10.6
119.08567	18.9
121.10111	11.7
129.07060	12.2
131.08551	18.0
133.10164	11.9
137.09656	9.8
137.94054	8.9
141.07024	9.1
143.08612	15.5
147.08051	20.3
149.09625	17.4
155.08510	18.1
157.10164	33.3
159.08061	17.2
167.08528	14.6
169.10127	36.4
178.04189	8.8
179.08553	8.5
181.10098	14.3
183.11610	18.4
193.10118	15.7
195.11717	41.1
197.09662	18.0
197.13280	12.3
206.10970	9.7
207.11710	34.4
209.13283	15.4
211.11153	11.9
219.11716	33.7
220.12491	15.9
221.13231	15.8
225.12842	9.7
226.13496	8.4
234.14005	59.5
235.14816	13.3
237.12639	17.8
239.14418	11.3
247.11324	12.4
249.16368	64.7
251.14268	12.2
262.13559	36.9
267.17447	20.8
277.15900	82.1
293.09476	9.4
295.16956	100.0
313.17957	12.1
313.49527	10.4
322.92078	10.5
337.18140	11.9
355.18961	13.1
373.20007	10.1
438.57220	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	577.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.1
81.07033	8.3
86.39167	5.0
91.05485	6.5
92.18453	9.0
97.06509	7.7
103.63476	4.7
105.07031	31.3
107.08600	12.3
109.06554	5.6
109.10156	6.7
119.08555	25.6
121.10104	8.5
123.08021	7.6
129.06969	8.8
131.08559	6.8
133.06514	10.0
133.10132	55.2
135.08026	9.4
143.08585	24.2
145.06496	8.4
145.10162	8.8
147.08017	8.3
149.09590	5.8
155.08601	11.0
157.10150	21.1
159.08055	9.0
167.08510	6.6
169.10127	22.6
171.11668	8.3
173.09569	7.3
179.08620	20.7
181.10144	21.8
183.08124	8.9
183.11678	37.7
187.11235	7.8
192.09344	11.5
193.10126	26.6
195.11755	20.9
197.09631	25.2
197.13231	21.8
205.10107	10.1
207.11697	50.2
208.12456	7.8
209.09612	7.6
209.13245	24.2
211.11189	20.1
211.14667	6.4
219.11734	26.6
220.12549	40.2
221.13258	23.1
223.11151	6.0
225.12775	11.9
232.12447	8.3
234.13956	35.1
235.11290	9.9
235.14799	31.6
237.12769	18.7
239.14351	6.8
244.12474	23.0
247.11159	9.8
249.16354	54.3
251.14320	11.8
253.12070	8.0
253.16000	7.2
259.14874	18.8
262.13541	30.7
265.15839	9.6
267.17343	22.2
277.15842	100.0
295.16873	82.6
313.17908	26.0
337.17929	12.0
355.18893	45.5
373.19998	7.6
415.21158	6.2
577.26654	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	577.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14227	4.1
67.05485	7.9
68.08027	4.1
68.85874	4.4
69.03382	5.7
69.07063	20.1
74.77124	4.5
77.40037	4.2
79.05489	5.6
81.07043	9.6
83.04987	6.8
83.08627	5.5
91.05463	10.2
93.07030	12.1
95.04955	20.4
95.08591	8.6
97.06516	8.2
105.07014	26.4
105.08065	4.8
107.08599	10.2
109.06489	19.7
109.10148	9.8
118.77260	5.3
119.08582	11.6
121.06510	8.9
121.10167	7.9
123.08084	9.6
125.21101	4.6
128.06209	5.2
129.06990	7.3
131.08571	25.0
133.06467	11.1
133.10085	10.0
135.08047	11.6
137.09581	21.8
141.07010	12.0
142.07735	5.8
143.08572	50.4
145.06398	8.3
145.10110	24.5
149.09615	9.2
154.07822	5.0
155.08594	35.3
157.10100	24.6
159.08043	31.3
159.11617	21.8
161.09671	19.7
163.11273	5.1
167.08569	22.4
169.10098	58.0
171.08008	45.6
171.11678	29.9
171.84172	5.7
173.09639	28.1
173.13283	6.4
175.11180	12.0
177.09122	6.0
179.08586	6.5
181.10126	23.0
182.11057	5.6
183.08044	8.1
183.11707	36.7
185.09692	9.9
185.13307	7.8
187.11156	22.7
193.10170	32.1
194.10876	5.7
195.11652	34.4
197.09570	41.9
197.13347	12.0
199.11224	27.5
201.12764	24.4
207.11707	30.4
208.12480	7.8
209.09735	6.4
209.13213	23.9
210.10260	6.3
211.11162	27.4
211.14755	9.9
215.10669	23.3
215.14261	6.1
216.44833	6.3
219.11809	8.6
220.12331	9.4
221.13252	23.5
223.11240	18.8
223.14801	12.0
225.12704	39.4
225.16360	6.7
227.10648	7.3
227.14233	10.9
234.14079	21.1
235.11229	10.4
235.14757	7.2
237.12753	23.3
239.17947	9.3
247.11150	6.3
249.16313	41.8
251.14290	10.9
253.12198	8.0
253.15833	24.5
262.13565	9.1
265.15839	10.8
267.17450	35.8
269.15408	20.3
277.15866	31.4
283.17010	7.8
295.16949	100.0
313.17960	80.3
355.19037	41.2
373.20203	34.5
378.53632	6.4
415.21140	29.0
475.23184	47.1
577.26056	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	577.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70333	4.7
55.05516	4.5
61.96591	4.6
67.27503	3.8
74.32347	4.5
74.56564	3.8
76.62075	4.5
79.05495	18.3
81.07063	8.6
83.04987	37.9
91.05453	8.7
92.17967	5.2
92.23109	4.7
95.04945	7.4
95.08603	5.1
105.07037	20.0
107.04954	17.5
107.08597	17.1
109.10097	5.5
111.04446	26.0
117.06974	8.6
119.08566	24.3
121.06506	10.6
123.08047	19.1
131.08539	10.3
133.10110	8.4
135.04411	20.4
135.08052	20.0
135.11688	6.6
135.24907	4.9
137.09633	26.6
143.08572	9.2
145.06488	5.8
145.10107	18.0
145.98462	4.6
147.08031	8.3
147.11655	7.5
149.09608	30.4
151.11145	6.9
153.05446	18.6
155.08554	7.5
157.10103	10.0
159.08089	18.4
159.11693	17.7
161.09647	8.1
163.07458	5.3
167.08551	4.4
169.10097	17.5
171.08006	6.0
171.11729	9.9
175.11122	9.9
177.09102	9.4
177.12784	7.4
179.08490	6.4
181.10092	11.2
183.11655	7.0
185.09584	7.0
185.13306	5.8
187.11131	10.6
189.12741	11.0
193.10168	22.4
195.11668	9.2
197.09605	18.1
197.13239	8.5
199.11223	22.0
203.10690	8.0
205.12260	33.2
206.10930	7.3
207.11676	19.9
209.09593	6.9
211.11293	17.9
211.14713	7.4
213.12708	9.2
215.73442	4.5
217.04016	4.8
217.12209	34.6
219.11642	10.0
222.10359	5.9
223.11194	8.5
225.12753	9.2
229.12079	6.1
234.13992	7.0
235.14880	11.0
239.10623	7.6
241.12192	9.6
242.51346	5.1
249.16470	9.4
251.14290	8.3
257.08453	4.7
267.17435	25.6
277.15820	28.2
295.16922	100.0
311.16394	4.9
313.17935	93.5
331.18973	8.3
337.18036	18.6
351.14008	4.7
355.19128	90.2
361.63297	5.9
373.20099	61.6
397.20081	7.8
409.81882	4.8
415.21033	63.6
449.22144	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	577.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76476	6.4
69.07041	7.9
77.01495	6.6
78.52300	6.4
91.05468	9.4
92.40740	6.8
93.07014	7.6
95.08576	13.4
105.07024	12.9
107.08565	8.4
110.08777	9.1
117.07033	10.6
119.08558	14.7
121.10171	10.6
123.79719	8.0
131.08627	12.1
133.10046	23.7
139.98703	6.6
143.08566	14.0
145.10173	9.3
147.08099	13.4
149.09677	7.1
155.08495	8.4
159.08031	12.2
161.09518	7.6
167.08592	7.8
168.02499	7.9
169.10124	45.0
170.10803	6.9
171.08096	13.5
171.11665	29.9
179.08476	16.2
181.10081	10.1
183.08080	9.5
183.11691	14.8
187.11122	8.8
193.10092	28.6
195.11713	12.0
197.09633	56.6
197.13174	12.5
207.11693	37.3
209.13268	9.6
211.11189	8.5
213.12698	11.1
219.11662	27.0
220.12408	11.8
221.09648	8.5
221.13429	12.1
223.14911	32.9
225.12711	16.3
234.14056	33.7
235.11147	11.3
235.14740	12.1
237.12740	8.8
239.10703	9.7
247.11229	10.2
249.16342	40.8
251.14311	13.6
253.12277	7.8
254.68929	6.9
259.15012	13.3
262.13495	14.8
265.15936	30.7
267.17465	33.8
277.15872	59.9
295.16916	100.0
304.44360	7.6
313.18021	31.8
355.18945	34.3
373.20175	7.6
415.21170	32.1
475.23431	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	577.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77372	0.8
80.90251	0.8
83.68582	0.7
119.00092	0.7
124.07574	1.2
215.18851	0.8
216.03273	0.9
271.10706	9.8
272.11066	1.2
317.32507	0.9
322.19196	1.1
364.20236	8.3
365.18689	3.3
379.15204	1.0
380.19922	3.7
380.31808	0.8
382.21243	9.3
391.16565	3.8
407.18753	1.0
408.19144	100.0
409.19507	3.9
410.19775	5.0
420.19516	1.1
438.20319	3.8
547.29059	12.2
555.03070	0.8
577.30145	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26976	0.4
74.23772	0.4
111.55251	0.5
124.07523	1.1
129.11566	0.6
161.81964	0.6
197.02318	0.6
252.22411	0.5
271.10718	8.7
273.79440	0.5
305.22409	0.5
347.17606	0.7
348.17215	0.8
352.20132	0.6
364.20203	9.0
365.18503	2.3
379.15253	1.9
380.19720	4.2
382.21219	8.2
391.16522	4.3
393.16852	0.5
407.18280	2.3
408.19153	100.0
409.19205	0.6
410.19711	1.1
420.19342	1.1
424.21982	0.7
438.20349	2.5
487.27704	0.7
547.29114	15.1
577.30194	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.0
67.05499	6.6
69.07059	1.3
79.05479	2.6
81.03427	1.9
81.07050	10.3
91.05463	2.9
93.07047	21.0
95.04945	9.4
95.08617	11.8
97.10147	1.6
105.07034	11.2
107.04967	2.6
107.08587	16.2
109.10159	12.0
111.08067	1.6
117.07021	5.6
119.08577	39.7
121.10182	10.0
129.06998	1.4
130.07779	2.0
131.08549	6.9
133.10123	100.0
135.08032	12.6
135.11705	2.8
135.75433	1.6
137.09541	5.0
141.29326	1.2
143.08585	9.3
145.10121	53.1
147.11687	11.4
157.10097	11.1
159.11690	16.6
161.09634	9.8
163.11186	17.2
167.08528	5.7
169.10106	8.8
171.11681	14.8
173.13216	9.6
175.11281	1.5
179.08553	1.4
181.10156	6.7
183.11717	10.1
185.13261	9.5
194.10889	2.3
195.11674	13.4
197.13293	10.3
208.12428	3.3
209.13226	23.9
223.14828	17.3
235.14853	2.2
237.16367	4.8
239.17947	2.0
250.17142	2.4
265.19485	73.9
283.20523	16.1
294.41388	1.6
325.21454	9.5
343.22693	5.7
385.23685	27.3
450.59003	1.6
459.27173	2.3
578.33136	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	578.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90090	0.8
52.98974	0.8
55.71332	0.7
55.72337	1.1
57.07083	20.3
57.94772	0.8
60.37806	0.7
62.38484	0.8
67.05503	0.9
70.93494	0.9
77.23188	0.8
79.05513	1.2
81.07059	1.9
85.48760	0.9
93.07034	5.1
95.04961	1.2
95.08585	3.9
105.07020	2.1
107.08618	6.8
109.06493	1.6
109.10198	1.4
117.06992	0.9
119.08568	9.7
121.06511	1.4
121.10130	4.5
131.08560	2.4
133.10117	5.1
135.08038	16.7
135.11691	1.3
142.52596	1.0
143.08601	2.2
145.06511	1.3
145.10091	5.3
147.07997	3.4
149.08585	0.9
149.09554	7.3
151.07574	1.8
155.08524	1.4
157.10144	2.1
159.08029	1.3
159.11723	1.7
161.09648	8.1
163.11134	4.1
164.84285	1.0
165.09164	1.4
169.10172	1.5
171.11708	1.7
173.09615	4.4
175.11243	1.9
179.10756	1.2
181.10156	1.5
182.54387	0.9
183.11693	1.7
185.13254	1.6
186.15628	1.0
187.11159	2.4
189.12759	1.1
195.11705	5.4
197.09731	1.8
197.13370	1.8
201.12810	1.5
209.13214	1.6
211.14882	4.3
213.12701	3.9
223.11118	2.1
229.15950	7.9
233.74680	1.0
239.14308	9.0
241.12263	1.5
251.17982	4.0
256.14606	1.7
257.15338	100.0
267.13660	1.3
269.19003	8.3
279.17395	14.9
282.16162	1.7
295.20322	2.3
297.18484	39.4
299.16431	5.0
323.20078	4.6
339.19601	5.8
341.21164	14.0
357.16605	1.1
357.20599	9.1
381.23978	1.5
399.21506	4.9
401.23196	42.6
441.25909	1.1
459.27356	1.9
501.28284	5.9
511.92776	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	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61314	0.4
72.04510	1.0
73.89184	0.4
79.05497	6.6
88.07619	2.0
89.21510	0.4
91.05488	1.0
93.07025	0.6
95.04946	0.4
95.08593	1.0
105.07040	2.2
107.04956	100.0
109.10177	0.7
119.08578	1.8
121.10120	0.6
128.59125	0.5
133.10135	1.0
134.09659	29.5
143.08571	1.0
145.10146	1.1
149.05981	16.4
152.15021	0.4
155.08557	0.7
157.10170	2.1
159.11678	0.8
161.13274	0.5
169.10117	1.1
171.11742	1.1
181.10127	0.8
183.11777	0.7
184.05562	0.5
185.13298	0.8
192.10181	11.6
194.11766	78.0
196.83646	0.6
197.13382	0.6
209.13295	0.7
252.57097	0.5
265.19714	1.0
270.47501	0.5
283.20395	0.5
351.27850	0.5
458.30716	2.0
578.34723	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	578.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84852	0.4
56.51168	0.4
60.61150	0.4
66.50568	0.4
67.05511	0.7
72.04519	1.9
79.05095	0.6
79.05495	8.0
88.07631	0.9
92.17883	0.6
93.07012	0.6
95.04941	0.6
95.08604	0.8
104.74478	0.5
105.07028	2.0
107.04950	100.0
107.08576	0.8
109.10181	0.6
117.90652	0.5
119.08562	2.4
120.92717	0.6
121.10134	0.9
123.11663	0.6
131.08566	0.9
133.10124	2.1
134.09650	29.0
135.11635	0.5
143.08600	0.8
149.05960	16.3
155.08582	1.0
157.10103	1.0
160.32753	0.5
169.10176	0.8
170.90617	0.5
171.11650	0.7
181.10150	0.9
183.11678	0.8
192.10170	11.1
194.11760	75.1
209.13380	0.5
211.14825	0.7
223.14807	1.2
265.19614	0.7
267.21115	1.0
409.72363	0.5
578.34717	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	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65598	0.7
67.05498	0.7
72.04520	2.6
78.47284	0.5
79.05502	6.3
91.05445	0.6
91.77401	0.6
95.08614	1.2
105.07000	1.3
107.04958	100.0
107.08607	0.9
109.10131	0.6
115.47879	0.6
119.08598	1.3
121.10127	1.0
129.06969	0.7
133.10141	0.9
134.09656	29.4
143.08539	0.8
145.10110	0.9
149.05974	16.3
150.82031	0.6
155.08543	0.6
157.10072	1.1
159.11639	0.8
161.13057	0.6
169.10172	1.0
171.11615	0.7
183.11716	0.9
192.10226	13.0
194.11769	83.4
195.11652	0.7
197.13272	0.7
209.13280	0.8
243.11800	0.6
265.19632	0.7
267.20987	0.7
349.17593	0.7
454.22311	0.6
458.30569	2.6
537.28723	0.6
578.34808	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	578.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42412	13.4
81.07036	17.4
82.47173	15.8
85.05802	14.4
93.07020	22.6
95.08597	29.3
100.75887	16.0
105.07061	20.9
119.08567	61.2
121.56281	15.2
123.86936	14.6
133.10107	89.2
145.10106	65.3
147.11691	17.2
163.11194	26.6
168.72195	16.0
209.13206	30.0
223.14891	23.3
249.33551	16.7
265.19553	100.0
357.48306	17.6
385.23895	20.0
533.28113	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25637	3.0
66.83558	3.5
67.05494	3.5
71.64396	2.9
79.05501	3.3
81.07027	6.9
92.18641	3.6
92.61775	3.3
93.07034	13.9
95.04979	7.8
95.08587	4.1
101.62710	3.5
105.07012	7.2
107.08579	7.5
109.10134	5.9
117.07000	6.7
119.08593	44.1
121.10129	4.4
121.13676	3.3
130.07819	4.1
131.08566	4.9
133.10126	100.0
137.09604	3.9
143.08516	4.4
145.10115	70.4
147.11681	6.6
155.08582	4.1
157.10078	15.7
159.11673	15.3
163.11201	19.3
169.10184	5.1
171.11690	22.6
181.10181	5.8
183.11760	8.1
185.13301	4.2
195.11710	6.5
197.13260	15.7
208.12523	4.3
209.13260	30.5
223.14813	23.2
252.63007	3.8
262.37476	3.4
265.19485	77.3
283.20578	4.6
325.21524	6.2
385.23578	26.6
412.92172	3.7
489.42197	4.0
518.34845	6.3
578.36774	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87251	8.5
55.61364	7.3
77.19643	8.8
91.05482	12.9
91.11880	9.5
92.18451	21.1
93.07033	13.6
95.08641	23.1
107.08619	10.3
119.08577	54.2
119.65981	8.1
133.10127	100.0
135.08089	15.9
145.10130	98.4
146.80406	9.4
147.11679	18.3
159.11693	21.1
161.09666	19.8
171.11707	21.1
183.07158	9.7
183.11606	11.0
197.13342	10.3
209.13293	37.1
223.14772	12.5
265.19516	85.3
362.11856	9.3
552.79614	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	579.15
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
62.32657	1.2
68.92538	1.2
72.53136	1.2
80.07729	1.3
87.18830	1.3
92.17826	1.5
111.00806	2.7
120.59126	1.2
123.04425	65.5
127.03909	100.0
135.04422	27.7
137.02354	6.9
138.86566	1.3
139.03897	72.8
147.04414	8.3
149.02322	3.4
150.62949	1.4
151.03905	18.8
159.04332	1.6
161.06030	3.0
163.03893	51.4
165.05450	6.2
167.03378	6.4
173.06001	2.1
177.05449	6.4
179.03378	5.6
181.04950	1.6
187.03909	6.5
191.03377	22.6
193.04907	2.6
201.05464	7.1
203.03432	13.3
203.06976	1.7
205.04953	2.3
215.07054	2.3
217.04959	1.6
229.05026	7.3
231.06557	2.1
233.04359	14.1
237.05707	1.6
241.04906	2.0
243.06567	8.5
245.04414	20.9
247.06027	28.0
251.05515	2.7
255.06583	3.2
257.04419	28.0
259.06085	15.6
269.04440	7.6
271.06030	16.1
271.21265	1.4
271.24310	1.4
273.07657	2.9
275.05530	13.5
283.05997	14.4
287.05466	35.5
289.07028	22.4
291.08636	24.2
299.05569	8.0
301.07013	18.7
303.08643	5.4
333.09543	1.7
409.09192	32.1
411.10654	2.8
421.09509	1.9
424.89532	1.4
427.10202	38.0
439.10223	5.5
453.11819	5.7
561.13690	1.9
579.15161	11.2
580.28723	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	579.1499
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
59.81251	1.4
70.70601	1.3
91.68159	1.5
95.04958	1.6
123.04418	55.0
123.51344	1.8
127.03909	100.0
135.04411	22.8
137.02322	6.4
139.03891	64.1
147.04437	9.0
151.03917	12.9
163.03874	45.3
165.05406	5.6
167.03448	2.4
177.05492	3.3
179.03401	6.6
187.03920	5.8
189.05394	1.5
191.03407	19.4
193.05090	1.8
197.06042	1.8
201.05504	5.3
203.03345	15.5
205.05064	3.9
207.06538	2.4
229.05020	6.9
233.04439	16.8
243.06430	6.6
245.04382	15.4
247.06006	29.1
251.05479	2.4
255.06427	2.9
257.04459	20.0
259.06003	11.3
269.04471	6.6
271.05859	21.9
273.19510	1.7
275.05508	13.6
283.05795	11.5
287.05460	31.4
289.07074	24.3
291.08655	20.1
301.07013	13.9
303.08698	2.2
409.09247	35.2
411.10687	2.1
427.10172	35.4
439.10196	3.3
453.11557	3.3
579.15234	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	579.1499
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
53.34082	1.1
56.69302	1.2
68.99780	1.7
102.49018	1.5
107.04930	2.1
109.02854	2.5
109.55473	1.6
116.07699	1.6
119.04896	1.9
123.04420	100.0
124.03983	3.5
127.03909	94.1
134.41789	1.4
135.04398	27.1
137.02336	2.1
139.03894	45.3
145.86040	1.6
147.04370	13.0
149.02412	2.1
151.03900	9.0
153.05449	2.6
159.04393	1.7
161.05951	3.5
162.20941	1.5
163.03894	46.6
165.05467	6.7
167.03369	6.0
179.03418	3.3
183.87326	1.6
187.03938	5.8
189.05415	2.0
191.03426	13.1
192.16675	1.5
193.04967	3.0
197.06120	2.2
201.05495	6.5
203.03409	10.9
203.07060	1.7
205.04910	2.1
207.06447	2.8
217.04878	2.8
225.05568	1.6
229.04964	6.2
231.06482	2.1
233.04417	7.0
243.06487	7.6
245.04422	19.8
247.05956	19.8
255.06421	2.7
257.04419	22.6
259.06091	5.4
268.08167	1.9
269.04413	5.5
271.05975	18.9
275.05478	12.5
283.05972	8.0
287.05469	45.2
289.07071	18.0
291.08652	19.7
299.05463	8.4
301.07025	9.3
303.08701	2.4
333.09695	2.3
341.10181	1.6
409.09131	44.9
411.10791	2.7
427.10236	17.5
435.10907	2.5
439.10309	3.2
453.11639	8.0
561.14581	2.3
579.14777	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	579.1502
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
50.37051	0.6
63.11755	0.6
68.99770	1.1
70.48197	0.7
109.02882	1.5
111.04391	1.5
123.04417	34.7
127.03915	100.0
135.04419	21.0
137.02299	1.6
139.03908	41.3
147.04402	3.8
149.02338	1.7
149.05962	0.9
151.03864	8.2
159.04410	1.4
161.05975	3.7
163.03893	32.4
165.05457	2.9
167.03343	5.8
173.05884	1.2
177.05447	4.2
179.03313	1.6
187.03886	6.2
189.05429	1.0
191.03365	10.8
193.04919	1.6
197.06001	2.8
201.05481	5.1
203.03372	7.2
203.07088	1.3
205.05019	4.3
207.06577	1.5
215.06955	1.3
225.50558	0.8
229.04904	6.5
231.06516	1.4
233.04451	8.2
241.04846	1.1
243.06557	7.4
245.04468	8.6
247.05975	15.1
251.05423	3.0
253.04909	1.1
257.04422	14.1
259.05975	9.1
269.04434	1.4
271.05969	15.1
275.05527	7.8
283.05899	6.5
287.05530	18.9
289.07019	15.5
291.08603	14.9
299.05515	4.0
301.06927	6.7
303.08551	0.9
409.09137	18.0
411.10617	2.9
427.10352	16.5
439.09863	1.4
467.76413	0.9
502.70004	0.8
561.12567	0.9
579.14758	8.7
594.07648	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	579.15
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
50.73970	0.9
55.01899	1.1
63.97115	1.1
66.69268	1.1
68.99780	1.3
71.87148	1.0
98.15912	1.2
105.29437	1.1
111.00822	1.9
123.04422	61.4
127.03913	100.0
135.04414	24.6
137.02383	5.1
139.03903	84.9
139.05006	2.1
147.04396	7.1
149.02336	6.4
151.03899	18.8
159.04430	2.1
161.05963	6.2
163.03877	47.7
165.05443	8.4
167.03395	5.5
175.03902	1.1
177.05457	2.0
179.03429	5.5
187.03923	6.2
189.05486	1.3
191.03381	17.1
192.52831	1.2
193.79019	1.0
197.05971	1.2
201.05450	6.4
203.03362	10.5
203.07120	4.3
205.04977	5.7
207.06445	2.0
213.05333	1.5
215.07056	4.3
229.04959	10.8
231.06488	1.5
233.04456	15.5
241.04912	2.6
243.06471	5.9
245.04488	15.1
247.06000	30.9
251.05521	1.9
255.06358	2.7
257.04446	25.5
259.06009	15.0
269.04489	5.9
271.05984	23.0
273.07559	1.8
275.05447	17.2
283.06033	9.7
287.05460	31.3
289.07040	31.9
291.08664	21.1
299.05399	5.8
301.07050	22.5
303.08539	2.1
380.13919	1.2
409.09149	39.9
411.10608	1.6
421.09036	1.4
427.10233	37.1
439.10150	5.5
453.11850	1.9
579.14764	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	579.15
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
51.49873	0.8
53.41188	0.9
54.11025	1.0
68.14739	1.2
68.32801	0.9
68.99786	1.5
87.30576	1.0
92.24033	1.0
94.49696	1.1
103.29277	1.1
109.50095	1.1
111.00835	1.5
123.04425	42.2
127.03919	100.0
135.04413	21.8
137.02359	2.4
139.03900	56.7
147.04379	8.4
149.02309	2.3
151.03908	11.4
161.06007	2.3
163.03893	42.7
165.05466	7.0
167.03355	2.3
167.28621	1.3
177.05490	2.1
179.03300	2.2
187.03900	6.2
191.03392	10.0
197.05988	1.7
201.05548	4.8
203.03406	7.5
203.07066	1.5
205.04991	5.1
207.06526	2.3
211.08318	1.1
215.06985	1.9
229.04927	6.0
233.04384	12.5
235.09108	1.1
243.06595	8.7
245.04517	7.4
247.06029	16.3
251.05595	1.2
255.06383	1.7
257.04410	15.1
259.06039	7.0
269.04437	1.6
271.05981	19.7
273.07654	1.3
275.05502	12.6
283.06091	2.7
287.05499	20.8
289.07062	34.5
289.10104	1.7
291.08609	34.2
299.05447	1.4
301.06961	10.1
303.08658	1.6
409.09140	17.9
411.10663	1.4
427.10321	22.6
435.10287	1.3
453.11633	1.3
579.15436	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	579.1837
Annotation	Kadsulignan E
Peak:m/z	Relative Intensity
52.89450	0.9
54.73331	0.8
59.82363	0.7
123.04412	1.4
127.03906	1.7
127.53904	0.9
135.04404	1.2
143.37440	1.0
218.00871	1.0
447.09360	1.7
525.13428	0.9
579.18359	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	579.2199
Annotation	ES-242-4
Peak:m/z	Relative Intensity
63.24242	0.9
63.34017	0.8
76.10652	1.0
81.03026	1.0
82.51210	1.0
95.04934	1.3
98.82917	0.9
123.04406	23.2
127.03906	35.8
135.04404	8.2
139.03882	19.4
147.04399	2.0
149.02370	1.0
151.03899	5.0
159.04187	1.1
163.03873	15.3
165.05508	2.1
183.80373	1.0
189.05249	1.6
191.03401	6.4
201.05389	2.1
203.03345	5.2
204.07561	8.1
215.06810	4.5
229.04993	4.3
231.06310	1.4
233.04399	1.8
243.06529	1.7
245.04430	7.5
247.05978	8.3
257.04364	7.0
259.05991	1.9
267.06503	1.5
271.06055	6.0
275.05521	5.2
278.80676	1.2
283.05829	1.3
287.05542	9.6
289.07098	8.7
291.08551	8.7
297.07681	1.7
301.07181	1.5
409.09113	8.5
427.10251	8.8
515.85437	1.1
579.21997	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	579.2207
Annotation	ES-242-4
Peak:m/z	Relative Intensity
55.01900	0.4
62.02833	0.5
64.70099	0.5
78.85046	0.5
93.07025	0.7
95.08604	0.6
109.10155	0.7
121.86582	0.5
123.04412	2.3
123.29496	0.5
127.03916	3.4
135.04417	0.7
137.06000	0.8
139.03918	2.1
151.43834	0.6
182.56705	0.5
189.05234	1.2
204.07567	10.6
215.06802	3.0
227.06935	0.6
231.06383	0.7
245.07893	0.7
247.05826	0.7
271.06046	1.1
287.05548	0.6
381.13025	0.8
415.53491	0.5
525.54523	0.5
579.21991	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	579.2567
Annotation	Netupitant
Peak:m/z	Relative Intensity
52.98216	1.1
63.28432	1.3
64.65387	1.2
73.53354	1.4
78.06588	1.4
81.07040	1.7
87.11596	1.3
92.18519	2.9
93.07072	1.5
97.68134	1.4
105.07018	1.9
109.06528	1.7
119.08579	1.4
123.08046	1.7
143.08598	3.4
147.08055	1.9
169.10161	3.5
170.53796	1.3
213.12782	1.6
221.13283	2.2
239.14270	6.4
257.15201	1.7
279.17615	1.8
297.18552	2.0
339.15759	23.3
353.17316	7.7
397.19824	29.7
457.21918	66.4
579.25610	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	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
56.86601	2.0
58.08526	1.9
62.88745	2.0
69.07060	13.0
76.84270	1.8
81.03426	3.5
81.07087	3.0
91.05470	3.0
92.18539	3.1
95.04956	13.5
97.06538	29.0
105.03397	100.0
105.04489	3.9
105.07014	9.8
108.67287	2.3
123.08106	3.4
131.08556	5.5
141.07028	4.3
143.08557	15.1
145.10106	4.1
155.08534	13.6
157.06451	3.6
157.10117	2.8
159.08047	3.8
169.10158	16.2
171.08057	19.4
171.11768	2.9
173.09596	11.2
181.10161	8.7
183.07912	2.5
183.11639	5.2
185.09650	4.1
187.11203	8.4
192.09357	2.6
193.10139	9.8
195.11691	10.5
197.09634	20.1
197.13293	3.9
199.11220	4.0
206.10924	3.7
207.11723	11.2
209.09608	11.2
209.13283	4.3
210.10307	3.6
211.11157	10.4
213.12790	3.7
215.10657	8.1
219.11655	3.9
221.13225	4.5
223.11261	4.2
223.14813	4.8
225.12755	14.1
233.13380	2.3
234.14159	4.7
235.14832	2.9
237.12737	2.8
238.13516	4.0
239.10562	3.5
247.11081	3.5
249.16330	4.0
250.13445	3.4
251.14189	8.0
253.12242	4.6
253.15730	4.4
262.13556	4.6
265.15933	4.6
267.17416	13.3
269.15350	10.5
277.15970	10.9
283.16919	3.9
295.16867	45.2
311.16458	12.5
313.17944	13.8
355.19003	10.2
373.20096	2.7
415.21219	18.1
477.22702	10.6
579.25537	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	579.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93636	3.7
56.05035	4.3
57.07048	5.2
61.98614	5.0
65.57893	4.6
67.05489	6.4
69.07069	7.1
70.17770	4.9
79.05482	10.3
81.07048	8.2
82.60037	4.5
86.44657	4.2
91.05475	5.6
93.07064	11.5
95.04945	5.9
95.08618	17.7
98.99128	4.5
100.36671	4.8
104.68294	4.8
105.03400	100.0
105.07018	26.6
107.08588	23.2
109.10155	8.9
119.08562	19.8
122.19582	4.2
123.04408	7.2
123.08062	10.2
124.07481	4.6
127.03850	9.9
129.07040	8.1
131.08545	6.4
133.10139	21.6
135.08043	19.8
143.08562	29.2
145.06409	5.3
147.04420	4.5
147.08012	10.0
149.09634	5.7
151.07584	6.4
155.08556	21.4
157.10175	21.5
159.08067	6.6
159.11661	11.3
161.09666	8.3
167.08487	5.2
169.10136	19.8
171.11562	10.8
173.09674	6.3
175.11223	5.6
179.08534	8.0
181.10120	23.1
183.11671	25.7
183.36139	5.3
192.09253	7.0
193.10124	24.8
194.10870	8.7
195.11700	25.5
197.13248	12.0
199.11118	8.2
201.12648	5.8
204.09404	5.7
206.10988	10.4
207.11659	38.0
209.13219	36.7
211.14818	11.9
219.11707	20.8
220.12421	9.3
221.13242	20.7
231.11774	18.1
235.14838	9.6
236.15573	6.1
237.12756	11.3
239.14352	6.4
246.14046	29.5
249.16364	32.2
251.17857	24.5
261.16287	34.0
267.17487	10.7
277.15936	5.2
279.17438	78.6
295.17108	6.3
297.18542	43.1
339.19476	24.3
357.20529	10.8
399.21964	8.2
417.22421	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	579.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75710	4.4
60.37901	4.4
71.71993	4.4
81.07047	5.5
93.07027	6.0
95.08628	8.8
104.64770	4.6
105.07021	20.8
107.04963	12.4
107.08595	27.7
113.02487	5.4
117.07005	5.9
119.08527	12.2
121.10129	8.9
123.04469	6.3
131.08537	10.5
133.06517	23.9
133.10115	12.9
133.19250	5.8
135.08032	7.0
143.08533	6.8
145.10164	24.0
147.62727	6.6
151.11200	6.3
155.08501	7.9
157.10110	27.0
159.11702	10.5
161.09608	9.2
167.08569	5.7
169.10121	24.8
170.94058	5.9
173.13208	6.0
183.11592	13.0
193.10063	6.7
195.11746	8.9
197.13309	11.1
207.11719	6.5
211.14775	9.4
214.31586	5.4
221.13295	7.6
225.12808	6.4
239.14320	6.9
241.55873	5.2
246.13792	5.4
253.19499	31.3
263.17911	21.6
269.69037	5.1
281.18973	100.0
299.20123	39.0
341.20920	13.0
527.66321	6.0
548.38068	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	579.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00161	3.3
67.05497	5.6
67.09950	3.3
79.05479	4.8
81.07055	29.3
83.08565	3.4
91.05474	20.4
93.07014	22.5
95.04934	4.6
95.08581	5.0
105.07063	37.8
107.08592	31.2
109.10122	6.1
117.07000	6.1
119.08562	36.4
121.10125	15.4
123.04427	6.4
131.08524	26.8
133.06487	15.5
133.10112	61.6
135.08112	9.2
135.11722	4.5
139.03883	5.3
143.08566	17.8
145.10097	25.3
147.07925	5.3
147.11676	20.5
155.08546	16.9
156.09441	4.5
157.10150	25.7
159.11697	29.6
161.09639	27.3
165.15205	3.8
169.10176	15.4
171.11659	14.9
173.13258	5.3
175.11160	6.9
183.07886	3.8
183.11688	22.2
185.09641	5.0
185.66927	3.8
193.10106	9.0
195.11676	15.4
197.09607	4.3
197.13284	25.9
199.14822	4.6
201.12776	3.7
207.11693	16.5
209.13272	18.9
211.14806	5.3
219.89154	3.4
221.13129	28.3
223.14693	5.8
225.12875	5.5
233.13229	5.6
237.16405	5.1
248.15619	8.1
251.18013	8.3
253.19537	16.9
263.17941	42.4
271.20593	3.8
281.18948	100.0
299.20056	40.7
341.21191	27.0
401.22922	5.3
408.85983	3.8
459.27377	18.1
519.71649	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	579.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04883	3.4
57.08818	3.4
67.05494	5.5
79.05486	7.6
81.03436	5.0
81.07044	28.8
83.05003	5.5
83.08576	4.3
91.05438	5.5
93.07074	14.6
95.08598	8.1
101.38267	4.8
105.07032	23.3
107.04942	9.0
107.08620	29.9
109.06511	4.3
109.10164	4.3
112.34576	4.4
119.08572	23.0
119.13291	3.9
121.10114	21.8
123.08064	4.3
131.08566	19.2
133.06493	9.1
133.10091	40.6
135.08015	6.8
139.11134	3.9
143.08534	18.0
145.10152	18.7
147.11653	7.5
149.09668	5.6
155.08580	6.8
157.10196	10.2
159.11696	21.9
161.09575	17.5
161.13139	5.0
169.10138	17.0
171.11696	22.6
173.13232	6.9
181.10170	8.9
183.11659	14.0
185.13293	5.2
192.09290	5.0
193.10127	7.6
194.11862	5.1
195.11761	15.8
197.13148	18.6
201.12784	8.1
206.10965	6.6
207.11685	9.5
209.13361	17.9
211.14772	6.5
221.13274	19.1
233.13045	5.0
237.16464	4.5
239.14334	6.1
248.15517	5.8
251.17940	7.8
253.19469	25.3
263.17920	26.7
271.20490	5.1
281.19043	100.0
299.20056	21.1
341.21231	21.9
369.66489	4.9
459.27286	19.3
553.35907	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	580.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37361	1.4
59.33867	1.2
75.33583	1.4
83.04993	1.9
88.13070	1.6
95.04967	2.3
105.07049	2.3
110.85264	1.6
121.06519	1.6
133.06458	2.0
147.08040	1.9
159.08002	2.8
159.11555	1.5
161.03738	2.1
161.09589	3.6
173.09627	2.9
185.09572	2.9
187.11249	2.9
195.11694	3.2
197.09625	2.1
197.13274	6.7
199.11154	14.4
207.05759	1.9
207.11723	1.9
211.11145	8.0
212.12009	6.1
213.12724	2.2
223.11128	3.3
225.12840	2.8
233.13426	2.2
235.11203	2.5
237.12698	2.4
237.81134	1.7
239.14368	3.0
240.11400	2.1
253.12256	2.3
261.10452	3.3
262.13446	1.7
265.15826	2.0
289.10007	7.2
293.15381	3.0
301.13571	2.9
307.10983	11.4
319.14468	2.4
324.31598	1.8
329.13022	6.6
347.14066	9.2
365.15161	8.7
367.13040	100.0
389.14743	1.6
407.16168	3.7
411.38815	1.6
425.17111	1.8
467.18314	3.2
483.91913	1.8
527.20410	6.5
580.22589	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	580.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01490	5.9
55.05526	9.4
55.87626	6.6
59.89069	5.8
62.81748	5.3
67.82304	6.6
74.47829	5.9
79.05513	7.8
83.08637	21.8
89.20164	6.6
91.05511	7.4
92.17937	13.2
93.07047	15.7
95.08624	11.8
97.06524	6.9
105.07035	14.8
109.06477	6.9
109.10180	6.2
119.08569	100.0
123.08070	8.4
125.09589	13.3
129.07047	9.2
131.08563	34.9
133.10152	29.1
141.06927	6.9
143.08557	51.5
145.10080	49.7
147.11671	7.1
149.09645	8.0
155.08592	15.6
157.10130	39.8
161.09550	12.3
169.10152	37.8
171.11670	30.3
173.09692	7.0
173.13235	14.1
181.10265	7.0
183.11678	74.1
185.13260	49.0
187.11154	7.9
187.14815	12.1
193.10310	10.9
195.11693	10.2
197.13333	15.7
207.11644	30.2
209.13390	6.9
211.11205	6.7
221.13368	11.5
223.14847	16.1
237.16345	10.7
239.17937	7.0
248.15602	7.0
253.19437	11.3
263.17899	46.0
281.19000	95.5
299.20096	42.1
320.74457	7.7
341.21014	55.8
383.22275	14.2
401.23236	75.5
544.54773	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	580.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	3.6
79.05510	3.2
91.05468	19.1
93.07037	13.8
95.04951	14.5
95.08614	3.5
105.07048	36.3
107.08575	4.8
109.10105	4.0
117.07013	7.2
119.08582	31.5
121.10130	6.3
125.46038	3.5
126.19202	3.5
128.06195	18.1
129.06961	5.0
129.89679	2.9
131.08540	56.9
133.10118	100.0
135.08026	6.1
143.08566	59.3
145.10136	35.1
147.11690	7.5
156.09428	3.7
157.10095	12.8
159.11617	15.7
161.09615	15.6
163.11136	7.0
169.10136	4.5
171.11691	15.3
181.10088	4.4
182.10796	3.6
183.11694	7.8
185.13251	3.6
195.11757	6.7
206.10941	7.5
207.11685	22.0
209.13333	15.0
220.12509	5.1
221.13251	6.5
223.14819	6.4
233.13342	3.5
247.47833	3.7
248.15634	3.5
263.17914	43.5
265.19409	21.9
281.19000	7.2
323.20023	3.9
341.21060	11.0
385.23807	12.8
443.24319	5.7
580.34961	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	580.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
62.49680	0.6
66.68793	0.7
67.05505	1.5
67.89928	0.9
69.07039	1.1
70.99464	0.8
74.06041	0.8
77.35186	0.6
78.48946	0.7
81.07062	1.7
91.05476	1.5
93.07025	3.8
95.04967	1.3
95.08614	1.8
97.06495	5.5
104.26818	0.7
105.07018	4.3
107.04945	3.1
107.08594	3.5
109.06542	1.7
109.10131	1.4
111.08080	1.0
117.06998	1.0
119.08588	7.4
121.06525	1.6
121.10167	1.8
123.08099	1.1
129.06999	1.7
131.08568	1.5
133.10176	6.4
135.08043	4.7
135.11700	1.4
137.05965	1.2
137.09546	1.0
139.07489	1.5
143.08548	3.0
145.06487	100.0
145.10114	4.7
147.08052	12.6
147.11745	1.4
155.08553	3.9
156.09386	1.4
157.10063	5.6
159.11697	6.2
161.09578	0.8
163.07541	22.6
165.07210	0.8
165.07893	0.8
165.09052	7.3
169.10118	4.7
171.11676	8.3
181.10161	1.5
183.11670	9.5
187.11147	1.1
192.09325	1.0
193.10172	1.5
195.11737	1.6
197.09680	1.3
197.13274	7.8
199.11208	4.6
199.14938	1.6
205.08624	11.8
207.11752	8.0
209.13216	5.2
211.11212	3.4
211.14790	3.0
221.13300	3.1
223.14807	3.5
224.15611	1.1
225.12782	4.9
225.16330	1.6
234.14006	4.3
239.14290	4.4
239.17918	22.5
249.16365	12.2
252.15216	2.7
257.19073	3.0
267.17429	37.6
285.18503	14.1
303.19492	0.8
321.13373	14.3
327.19540	41.7
345.20792	1.1
383.22165	1.5
387.21555	13.4
443.24347	1.8
447.23663	1.0
503.26328	18.2
580.31329	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	580.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96641	2.0
67.05492	4.5
69.03424	5.6
69.07063	2.2
69.63743	2.6
79.05484	2.3
81.03397	24.5
81.07040	8.9
83.08620	2.7
91.05463	9.4
93.07039	35.8
95.04956	22.0
95.08597	11.5
99.06156	2.4
102.06347	2.5
105.07037	33.0
105.83367	2.3
107.08572	18.4
109.06520	3.4
109.10143	3.0
115.05413	2.6
117.06940	3.0
119.08563	33.7
121.10124	14.8
123.32944	2.3
127.03777	2.2
131.08549	14.3
133.06488	5.0
133.10117	100.0
135.08055	21.3
135.11697	2.6
137.09642	2.5
141.07085	2.7
142.07738	2.9
143.08563	24.9
145.10164	20.7
147.08037	3.0
147.11684	10.2
148.87206	2.4
149.09576	4.2
155.08519	3.8
157.10117	22.6
159.11688	12.9
161.09615	46.5
163.11217	3.2
169.10086	16.6
171.11723	16.4
173.13217	21.7
175.11182	4.3
179.08603	3.0
181.10107	4.0
183.11723	11.3
185.13249	4.4
187.14726	3.9
192.09377	4.1
193.10110	5.8
197.13249	10.1
199.14911	12.2
203.26529	2.8
206.11046	4.1
207.11685	25.8
208.12500	4.9
209.13243	4.9
211.14828	3.4
219.11789	2.9
220.12488	4.6
221.13232	27.6
222.13899	3.0
225.12614	4.2
233.13228	9.8
234.14061	9.2
235.14813	9.0
237.16298	3.9
239.14388	5.8
248.15622	21.6
253.19464	9.5
263.17932	64.5
268.14157	3.2
281.18958	59.5
323.19888	20.8
341.21112	5.6
353.30420	2.4
383.22168	34.2
443.24448	22.9
461.25214	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	580.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70656	0.7
72.81395	0.7
79.05487	6.7
81.07037	0.7
92.17860	1.6
92.20506	0.9
92.98121	0.7
93.07001	0.7
95.08585	1.4
105.07027	4.0
107.04953	100.0
107.08569	1.4
109.10162	0.9
110.06019	0.7
119.08592	3.9
120.08103	9.9
121.10130	3.2
127.03923	0.8
131.08597	3.1
133.10147	4.9
136.37471	0.8
143.08571	2.8
147.08063	0.9
149.05971	22.3
155.08624	1.7
157.10150	3.4
159.11671	1.0
161.09639	0.8
162.41650	0.9
169.10135	2.9
171.11690	3.6
173.09682	1.0
180.10185	68.9
181.10172	0.9
183.11703	3.3
185.13184	1.0
195.11739	1.7
197.13208	1.3
207.11667	1.0
209.13248	0.9
221.13255	1.0
223.14827	1.3
225.12701	0.9
253.19536	1.1
263.18008	0.9
270.40152	0.7
281.18945	1.5
284.29572	0.8
299.20245	1.7
415.84155	0.8
432.71909	0.9
542.50006	0.8
580.32660	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
59.67424	0.7
67.05515	1.5
69.07061	1.6
79.05489	8.8
81.07060	1.8
83.57986	0.8
91.05459	3.9
93.07037	3.7
95.08598	5.1
96.67185	0.8
105.07030	8.8
107.04955	100.0
107.08588	4.6
108.20781	0.9
109.06516	1.1
109.10180	5.8
117.06989	1.0
118.02200	0.8
119.08553	8.4
120.08086	10.4
121.10150	6.2
123.11705	1.1
128.01982	0.7
129.06978	1.2
131.08562	6.3
133.06445	1.5
133.10117	14.3
135.11705	1.4
143.08592	5.8
145.06502	1.1
145.10085	3.8
147.08075	3.7
147.11690	1.7
149.05968	20.1
155.08563	5.4
157.10129	5.1
159.11710	3.5
161.09627	3.1
167.08595	1.1
169.10132	7.1
171.11699	5.7
173.13245	1.1
179.08594	1.4
180.10191	70.1
181.10143	2.0
183.11720	5.1
185.09659	1.3
193.10063	1.1
195.11703	2.0
197.09616	1.9
197.13287	5.0
198.35243	0.9
206.10870	1.2
207.11671	1.9
211.11139	1.2
211.14848	3.5
221.13200	3.8
223.14816	1.4
225.12845	1.3
237.16393	1.1
239.14276	1.4
239.17902	1.8
253.19553	4.2
263.18015	4.1
281.19104	8.5
295.16873	1.0
299.20065	4.2
341.21179	3.8
401.23166	5.4
415.21262	0.9
520.30554	1.8
580.32642	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56085	0.5
67.05505	0.7
67.08635	0.4
70.64104	0.5
72.34344	0.4
75.77385	0.5
79.05486	7.0
81.00527	0.5
81.07049	1.0
89.66499	0.4
91.05463	0.5
93.07038	2.3
95.04971	0.6
95.08607	2.9
96.13155	0.5
105.07045	7.4
107.04956	100.0
107.08602	1.2
107.20634	0.5
108.09721	0.4
109.06534	0.6
109.10158	3.0
115.05394	0.6
119.08578	8.4
120.08106	9.4
121.10155	3.3
123.08063	0.6
129.07039	0.8
131.04942	0.8
131.08578	2.1
133.10098	6.5
135.04495	0.5
135.08055	1.0
135.11661	0.6
143.08569	3.1
145.10123	4.8
147.08104	0.9
147.11723	1.9
149.05969	20.8
152.51776	0.6
155.08546	3.4
157.10164	3.9
159.08011	0.6
159.11665	0.9
161.09657	0.5
163.03862	0.6
163.11232	0.6
169.10129	3.9
170.94389	0.5
171.11702	2.2
173.13248	0.9
175.11069	0.9
179.08577	0.5
180.10190	71.6
181.10059	1.6
182.10846	0.7
183.11702	4.4
185.13216	0.7
195.11697	3.0
197.09578	0.7
197.13235	3.8
207.11707	0.7
208.12527	1.1
209.13226	0.9
211.11134	1.1
211.14803	2.2
215.87540	0.6
221.13155	0.7
222.11360	0.6
223.14891	1.0
237.16380	0.8
239.14250	0.8
239.18073	0.7
253.19536	2.9
263.17996	2.0
271.20657	0.6
281.18973	6.8
299.20102	3.2
320.10602	0.6
341.21014	2.7
401.23651	0.7
489.90784	0.5
580.32678	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16375	0.8
56.46749	0.9
66.09823	0.9
67.05489	1.4
73.25217	0.8
78.54946	0.7
79.05489	4.8
93.07013	2.9
95.08583	1.5
105.07023	6.8
107.04951	100.0
107.08617	1.8
109.10146	2.0
111.82063	1.1
119.08591	6.4
120.08095	9.4
121.10137	1.8
128.77066	0.9
131.08600	1.8
133.10110	10.6
143.08578	5.1
147.08086	1.3
147.11707	1.2
149.05968	22.7
155.08502	1.6
157.10130	4.6
159.08086	1.2
159.11653	1.6
161.09564	4.3
169.10117	5.5
171.11691	1.3
180.10190	68.1
181.10121	1.4
183.11713	2.1
185.13332	1.1
195.11707	1.8
197.13335	3.5
207.11690	1.0
209.13205	1.2
211.14915	1.1
221.13228	1.1
223.14851	1.3
225.12758	1.5
232.07895	1.0
237.16241	1.0
253.05905	0.8
253.19458	2.1
263.18015	1.2
281.19049	5.1
299.20309	1.2
401.23328	1.5
447.53143	1.0
580.32715	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	1.1
77.60783	1.0
79.05486	6.6
84.76270	1.1
91.05491	1.6
93.07020	1.7
95.08604	3.9
105.07021	6.5
107.04961	100.0
107.08594	2.0
109.10143	3.7
119.08579	7.3
120.08109	9.9
121.10179	3.7
131.08534	1.5
133.10115	4.9
135.11652	1.3
143.08542	5.1
145.10110	5.1
147.11703	1.0
147.73325	0.9
149.05975	24.5
155.08542	1.5
157.10101	3.8
159.08035	1.5
159.11705	1.8
161.09647	1.3
169.10123	4.5
171.11644	1.1
180.10191	76.9
181.10138	2.1
183.11742	4.2
184.07286	1.3
197.13264	3.7
211.14827	1.9
221.13275	1.3
225.12550	1.1
253.19485	1.9
263.18027	2.3
281.18982	5.5
299.19952	1.9
341.21240	1.7
362.49387	1.4
401.23291	2.3
405.64706	1.2
458.87708	1.0
580.32605	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51620	0.7
54.74811	0.7
67.97091	1.0
69.02051	0.8
79.05500	8.9
93.07030	3.4
95.08600	3.4
97.72845	0.8
105.07024	4.5
107.04949	100.0
107.08585	1.5
109.10114	1.7
111.54794	0.8
119.08558	5.2
120.08106	7.4
121.10139	4.5
129.06987	1.5
133.10107	8.3
143.08536	6.0
145.10094	3.4
147.11639	1.2
149.05962	22.5
155.08563	4.1
157.10141	4.9
159.11699	1.3
161.09671	1.4
167.08560	1.0
169.10078	6.0
171.11674	4.4
180.10184	69.5
181.10123	2.0
183.11684	6.1
184.07376	1.5
185.13298	1.7
190.69824	1.0
193.10146	1.4
195.11716	5.0
197.09526	1.3
197.13217	6.4
207.11734	1.0
209.17325	0.8
211.11206	5.1
211.14804	1.6
221.13297	1.7
223.14877	3.8
225.12679	1.5
237.16350	1.6
239.18080	1.5
252.75591	1.0
253.19571	3.6
263.17926	3.0
281.18997	9.9
299.20062	3.5
341.21014	6.3
401.23361	3.6
580.32654	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32225	0.6
57.07085	0.7
59.62580	0.6
61.64637	0.8
67.05506	0.9
67.30949	0.6
74.24542	0.6
79.05484	7.5
81.07029	0.9
83.08656	0.8
85.54053	1.0
91.05452	1.1
91.17789	0.9
93.07046	1.7
95.04946	0.8
95.08590	2.9
105.07036	6.1
106.01122	0.7
107.04958	100.0
107.08587	2.9
109.10153	2.9
119.08585	6.0
120.08109	9.9
121.10148	4.0
131.08583	3.1
133.10129	7.2
143.08566	4.9
147.11652	0.9
149.05978	21.5
155.08574	3.2
157.10150	4.9
159.11671	1.6
161.09595	1.3
165.22816	0.8
169.10147	5.8
171.11662	3.7
175.11221	1.0
180.10196	73.4
181.10173	3.1
182.11053	1.1
183.11710	5.9
185.13208	0.8
193.10109	1.1
194.10928	0.8
195.11719	3.3
197.09633	1.0
197.13274	6.7
198.57961	0.8
207.11659	1.8
209.13242	1.1
211.11235	4.7
211.14821	2.9
221.13272	1.5
223.14854	3.1
224.15404	1.2
225.12778	1.2
225.16426	0.8
239.14394	1.2
239.17874	1.7
248.15160	0.8
253.19527	4.9
263.17960	3.3
281.19052	9.9
289.20465	0.7
299.20151	2.9
341.21082	7.2
401.23331	1.6
441.03506	0.9
565.62378	0.9
580.32684	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08746	3.0
54.53199	2.5
57.48553	2.9
69.07042	3.5
79.05462	6.2
81.07052	14.0
91.05489	4.3
93.07034	13.3
95.08574	26.6
101.06040	3.9
105.07014	30.1
107.04949	45.8
107.08587	23.0
108.05276	17.3
109.10170	15.9
110.37491	3.1
117.06966	3.1
119.08562	61.7
121.10132	13.1
125.09592	4.1
127.05535	3.9
128.30266	3.3
129.07083	4.6
131.08548	7.8
133.10120	14.9
134.09622	11.8
135.08047	15.4
135.10042	4.1
137.09610	11.7
141.07095	4.0
143.08586	24.0
145.10114	20.1
147.11691	4.9
149.05974	4.8
149.09512	9.7
155.08577	19.0
157.10112	32.5
159.11655	14.9
161.09660	3.5
163.05469	4.0
167.08698	3.5
169.10117	22.0
171.11714	6.2
173.13319	4.5
175.09261	13.5
177.07112	4.0
179.08647	7.2
181.10172	13.9
183.11687	16.9
189.11008	3.5
191.08725	5.6
193.10275	6.5
194.11913	22.7
195.11990	34.7
196.12395	5.4
197.13193	22.1
205.10387	7.2
207.11667	27.3
208.12393	4.0
209.13197	6.1
211.14810	17.5
213.07188	3.8
217.10384	5.5
219.11876	7.4
221.13206	20.3
223.14813	32.9
225.16321	6.2
231.11908	3.8
248.15367	4.0
253.19542	21.1
263.17950	28.2
269.13446	20.4
273.33450	3.3
281.19034	17.4
283.14786	4.5
299.20096	6.4
315.21112	4.7
324.19958	3.8
325.19699	100.0
343.20798	33.9
385.21875	37.9
445.23914	5.9
536.97430	3.8
580.34271	12.7
600.85492	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	580.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81452	1.4
58.66053	1.6
67.05489	8.0
69.03415	7.3
69.07066	2.5
79.05491	6.9
81.03421	32.4
81.07046	16.4
83.08635	3.4
91.05476	9.8
92.18488	2.3
93.07043	41.3
95.04977	27.1
95.08599	20.3
105.07032	24.8
107.08591	30.8
109.06512	4.1
109.10141	10.0
111.08064	2.4
117.07013	8.0
119.08576	44.1
121.10149	16.5
123.08081	1.9
123.11650	2.9
123.43870	1.8
131.08589	12.3
133.06493	8.1
133.10127	100.0
135.08047	55.6
135.11703	3.6
137.09628	3.4
143.08568	18.1
145.06401	3.4
145.10127	43.8
147.11682	10.9
149.09554	2.5
155.08569	8.8
157.10097	23.2
159.11673	20.6
161.09610	69.1
163.11150	17.8
169.10112	12.5
171.11626	17.4
173.13263	9.9
175.11214	4.4
179.08553	2.3
181.10129	9.6
183.11684	13.9
185.13225	4.6
185.74794	1.8
187.14902	2.2
189.12738	3.8
193.10127	3.6
194.10979	2.9
195.11743	14.1
197.13284	8.8
199.11087	2.6
199.14842	2.7
201.12714	2.2
207.11673	10.6
208.12442	2.4
209.13261	15.4
211.14795	8.2
213.12674	2.7
221.13245	15.2
222.13922	2.6
223.14781	14.8
224.11998	7.2
225.12526	4.6
227.14192	2.7
233.13254	3.2
235.14787	2.3
237.16446	7.8
239.14365	8.2
240.14716	2.9
248.15579	8.9
253.19511	8.8
263.17999	26.1
265.19470	46.1
267.13818	4.0
268.14175	3.9
281.18964	22.3
283.20520	33.6
323.20038	9.8
325.21600	3.1
341.21246	3.7
343.22632	26.9
346.23718	2.1
383.22336	14.1
385.23798	20.1
412.20422	2.3
443.24332	4.2
580.34485	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	580.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24507	1.4
67.05498	7.8
69.03424	3.4
69.07043	1.7
79.05480	7.8
81.03434	11.8
81.07047	14.6
91.05477	11.9
93.07035	31.2
95.04955	11.1
95.08592	17.9
103.72504	1.5
105.07009	20.7
107.04922	2.8
107.08571	21.2
109.10130	10.5
111.08034	2.5
117.06996	7.8
119.08563	43.3
120.35178	1.7
121.10133	15.7
130.07758	6.2
131.08534	7.8
133.06512	2.0
133.10121	100.0
135.08028	31.9
135.11656	3.7
137.09612	2.9
141.06969	2.4
143.08575	11.6
145.06450	3.2
145.10112	55.2
145.11188	2.9
147.11662	9.5
155.08539	3.9
157.10115	17.4
159.11711	14.3
161.09593	34.9
163.11090	18.3
167.08543	2.8
169.10062	13.2
171.11696	19.0
173.13211	6.7
179.08542	1.8
180.09198	1.9
181.10075	10.5
183.11658	12.3
185.13251	10.4
193.10059	2.6
194.10950	2.3
195.11703	18.9
197.13243	13.4
199.11182	1.7
208.12396	3.2
209.13199	31.9
223.14758	18.1
227.14342	3.6
237.16292	2.8
239.18053	2.0
241.15796	2.9
250.17313	1.9
255.21214	2.0
265.19492	83.4
283.20480	25.6
325.21768	11.8
343.22528	14.5
385.23679	31.8
461.28979	2.4
480.91876	2.0
537.02081	2.1
580.34503	9.3
586.34076	1.7
587.83698	1.9
598.65295	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	580.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.5
69.03419	2.4
79.05474	4.1
81.03408	13.4
81.07051	13.1
83.04958	2.8
83.08621	3.0
91.05481	9.5
92.18419	3.5
93.07047	26.7
95.04945	13.5
95.08590	21.3
98.83362	2.2
105.07040	18.9
107.08601	21.9
107.99609	2.3
109.10139	11.9
117.07011	10.5
119.08580	42.9
119.09331	3.9
121.10125	15.5
123.11731	3.4
131.08572	5.9
131.55463	2.5
133.10110	77.0
135.08066	40.1
135.11658	3.3
137.09627	3.3
143.08563	11.2
145.06465	2.7
145.10097	45.6
147.11671	11.1
155.08511	3.2
157.10153	18.0
159.11678	16.6
161.09573	43.2
163.11172	21.3
169.10085	5.3
171.11673	16.8
173.13179	9.5
181.10132	12.7
183.11676	12.3
185.13153	4.6
194.10916	5.1
195.11652	15.0
197.13191	9.7
209.13258	27.3
220.23831	2.3
223.14871	22.5
225.16223	4.1
227.14330	9.1
231.60049	2.9
255.21123	2.8
264.61462	2.7
265.19522	100.0
283.20554	33.6
325.21640	10.9
329.18210	2.4
343.22690	24.2
385.23755	37.8
517.34015	2.8
524.13586	3.1
531.95477	2.5
580.34772	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	580.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23349	1.5
55.05505	2.7
79.05504	4.1
81.03409	8.7
81.07043	12.2
91.05470	10.6
91.07260	1.9
93.07034	21.3
95.04971	9.1
95.08604	14.5
105.07029	13.3
107.08591	23.6
109.10143	16.2
117.06996	12.1
119.08568	46.2
121.10156	11.6
130.07782	2.4
131.08554	8.2
133.10115	100.0
135.08051	11.6
135.11697	3.9
137.09615	2.9
143.08513	11.8
145.10117	49.9
147.11707	14.1
157.10123	12.1
159.11685	13.0
161.09616	16.0
163.11156	14.9
167.08510	2.3
169.10109	9.2
171.11678	10.4
173.13268	8.6
181.10114	9.5
183.11696	7.8
185.13275	4.7
194.10896	8.0
195.11642	16.7
197.13235	4.4
208.12427	2.3
209.13213	28.4
210.14084	2.3
223.14755	20.1
237.16261	2.9
265.19501	79.5
274.16858	2.1
283.20435	12.4
325.21594	2.8
343.22601	2.3
385.23575	22.9
471.55765	2.1
580.34845	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	580.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62472	2.6
55.05515	3.6
66.14737	3.1
67.05505	5.1
69.07093	5.2
70.42502	3.1
79.05508	4.2
79.72786	3.3
81.03409	25.9
81.07066	19.1
84.16489	3.6
91.05484	13.5
93.07042	44.6
95.04978	18.3
95.08607	29.9
105.03400	22.0
105.07022	30.6
107.08588	35.1
109.10176	16.0
117.07022	7.9
119.08559	63.6
121.10158	17.4
123.11733	4.9
130.07765	5.3
131.08600	14.0
133.06520	7.1
133.10120	100.0
135.08035	76.5
135.11711	4.5
137.09677	6.7
143.08534	24.2
145.06570	4.6
145.10117	89.5
145.11166	4.0
147.11662	12.5
155.01027	4.4
155.08618	5.9
157.10118	25.5
159.08044	4.1
159.11719	21.8
161.09590	71.0
161.10791	5.3
163.11119	25.2
167.27434	3.9
169.10144	15.9
171.11658	27.1
173.13261	13.3
175.95895	3.1
176.26326	3.7
181.10086	15.0
183.11739	20.9
185.13206	4.6
193.10020	4.2
195.11717	17.4
197.09630	3.4
197.13353	14.1
201.12724	4.0
207.11812	4.7
208.12515	6.6
209.13300	32.2
211.14859	5.1
221.13332	4.9
223.14777	28.3
227.14310	5.1
235.14890	4.7
241.15889	5.6
250.17122	3.8
255.21014	5.2
263.17975	4.4
265.19479	83.5
281.19116	14.6
283.20529	37.5
296.17319	6.0
325.21689	5.1
343.22855	23.6
385.23715	28.9
580.34698	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	581.1442
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
59.75306	0.3
77.74740	0.4
81.07047	0.4
104.81672	0.4
121.02861	2.1
133.06476	0.7
135.04416	32.2
162.44290	0.4
167.03365	3.9
283.06137	2.3
311.09085	1.6
335.09235	0.8
363.08716	0.4
373.10776	0.5
415.11740	4.8
417.05765	0.4
425.26645	0.6
431.07635	4.5
449.08643	2.5
508.12021	0.5
535.10193	2.6
537.11932	0.7
549.11786	12.7
565.11194	4.5
566.11902	2.2
581.14410	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	581.1442
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
51.59856	0.3
51.71437	0.3
54.92478	0.2
59.51462	0.2
84.25134	0.3
104.36767	0.4
121.02842	0.7
133.06487	0.5
135.04416	31.7
167.03371	2.8
212.64888	0.4
240.32117	0.3
240.55084	0.3
244.00209	0.3
270.19540	0.3
283.06024	2.4
311.08969	1.4
339.08755	0.5
415.11868	4.4
416.05441	0.4
417.05978	0.7
431.07516	4.0
449.08508	3.0
481.78568	0.4
519.09943	0.4
535.10492	2.4
537.11267	1.1
547.10370	0.4
549.11786	11.1
565.11243	3.6
566.12207	1.5
581.14417	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	581.1504
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.89487	0.5
55.01865	0.4
55.96577	0.4
57.03439	1.1
61.02919	1.0
62.51143	0.4
69.03419	2.0
73.02921	7.9
83.35002	0.4
85.02919	6.2
97.02879	3.3
108.08546	0.5
115.03924	0.9
127.03892	1.0
133.04947	1.0
145.04980	0.9
150.90515	0.4
287.05481	100.0
416.73325	0.5
449.10724	2.3
468.42773	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	581.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49280	0.4
60.79191	0.4
64.30003	0.5
65.58397	0.6
78.02846	0.5
163.03877	1.1
190.93390	0.6
193.04855	0.7
237.07303	1.0
238.06871	0.6
241.09169	2.1
247.09409	0.8
280.80899	0.5
283.10028	0.6
367.13840	0.7
552.13684	0.6
581.22064	100.0
593.49585	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	581.2359
Annotation	His Phe Tyr Asp
Peak:m/z	Relative Intensity
51.25950	0.5
51.49342	0.5
51.52683	0.5
52.86565	0.5
63.99348	0.5
78.76963	0.7
111.04198	2.7
129.73724	0.7
137.05972	1.3
138.24280	0.6
159.04187	20.4
184.12216	0.9
198.09978	0.7
199.11183	0.7
202.20103	0.6
281.68643	0.7
307.11096	1.0
348.14505	0.6
367.13174	4.4
368.13446	12.3
384.15277	1.3
549.04071	0.7
581.23517	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	581.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.0
57.07082	28.1
59.48898	0.3
65.03911	1.9
65.39632	0.3
69.07042	0.5
83.04983	40.9
91.05474	6.2
92.18498	0.6
92.60247	0.3
98.98434	1.5
105.07035	2.4
110.34370	0.3
115.05468	0.5
119.08549	1.6
121.10169	0.3
129.06999	0.6
131.08549	0.6
132.09381	0.3
133.10091	1.8
135.04376	2.5
141.06995	7.2
147.07997	0.6
147.11685	30.6
151.01576	3.7
159.08035	5.4
161.13263	2.2
163.01512	5.0
169.07611	4.1
175.01555	7.3
181.02588	1.9
187.01534	0.6
197.13353	0.3
211.05194	0.3
221.03601	1.4
227.04671	7.0
239.04654	11.9
254.98161	0.7
257.05664	0.6
260.99203	0.6
283.10916	1.3
295.10825	0.6
302.62869	0.3
307.01324	0.6
337.02341	60.8
393.08606	9.4
395.80569	0.3
413.05508	2.6
469.11801	7.1
525.18060	16.4
581.14685	6.4
581.24188	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	581.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28605	0.5
50.89566	0.5
53.18943	0.5
60.79111	0.6
67.05492	1.1
69.03426	0.6
69.07031	0.9
77.07001	0.5
79.05481	5.7
81.03408	3.1
81.07060	11.4
83.07203	0.5
85.02900	1.1
91.05476	2.9
91.42188	0.6
92.18510	1.2
93.07031	4.9
95.04965	2.3
95.08602	8.5
101.06026	0.6
105.07031	7.4
107.04943	0.8
107.08592	22.0
109.06531	1.0
109.10170	4.6
117.06988	3.2
119.04962	4.4
119.08575	6.3
121.10123	3.1
123.11702	2.6
131.08554	2.6
133.06482	7.5
133.10112	9.3
135.08051	100.0
135.11665	1.3
137.09676	0.7
143.08557	2.7
145.06496	7.7
145.10129	3.6
147.08026	0.7
147.11693	3.9
149.13281	0.6
152.35854	0.6
155.08508	0.8
157.10080	2.3
159.08119	1.9
159.11719	2.3
160.04308	0.5
161.09593	7.4
161.13239	1.2
163.11153	11.2
171.11632	2.0
173.13379	0.6
175.11064	0.8
179.10663	0.7
181.10030	0.7
183.11618	1.1
185.13266	0.9
187.11168	1.0
189.12787	0.9
195.11670	1.1
197.13263	1.0
199.11142	0.7
199.14743	1.2
201.12787	1.1
203.14319	0.8
209.13255	1.0
213.12749	1.0
213.16579	0.7
215.14314	3.0
223.14906	0.9
225.16151	0.6
227.14381	0.8
237.16360	0.7
239.17955	0.7
241.15842	0.8
255.21112	1.1
265.19467	2.4
283.20566	23.7
285.22269	1.1
301.21686	2.4
352.21759	0.7
434.92932	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	581.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98745	0.7
55.05519	6.0
57.03432	1.9
58.73463	0.7
67.05215	0.9
67.05510	13.5
69.07060	8.0
71.05010	0.7
79.05490	7.3
81.07056	16.6
83.08636	6.1
85.06562	1.0
85.65878	0.8
91.05470	6.5
93.07044	9.3
95.04970	1.5
95.08604	13.4
97.06530	3.2
97.10162	3.1
105.07032	7.7
106.52881	0.8
107.08584	8.7
109.10150	7.1
112.56046	0.7
117.07020	4.5
119.08580	8.9
121.10146	9.0
123.11731	1.2
129.06996	1.8
131.08578	6.7
133.10120	7.9
135.04402	7.3
135.11691	5.2
141.07024	1.3
143.08569	7.6
145.10110	7.5
147.11716	6.7
149.13309	1.0
151.39272	0.8
155.08572	3.6
157.10085	9.2
159.11699	6.9
161.13208	1.8
167.08594	1.8
169.10115	8.8
171.11697	8.4
173.13271	4.8
181.10161	4.9
183.11700	8.5
185.13173	7.0
187.14839	3.6
195.11661	6.2
197.13280	9.5
199.14867	4.8
207.11671	3.6
209.13344	5.9
211.14865	6.3
213.16443	3.8
219.11606	1.1
221.13257	2.9
223.14920	4.2
225.16452	3.5
227.17995	1.1
235.14929	1.3
237.16368	3.7
237.51033	0.9
239.18063	1.5
249.16531	1.2
251.17955	1.9
263.18164	1.1
289.19687	1.3
323.23956	0.8
433.30545	0.9
489.37375	5.9
507.38129	1.7
549.11688	1.7
563.40961	9.0
581.14581	17.7
581.41986	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	582.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92792	1.0
58.01603	0.9
60.35802	0.9
67.05519	1.6
70.18912	0.8
79.05479	1.8
81.07061	7.0
84.61118	0.9
86.07435	0.9
91.05478	58.9
93.07038	8.6
94.65421	1.1
95.08586	5.5
103.05536	1.2
105.07028	6.0
107.08578	5.0
107.33180	1.2
109.10160	2.1
109.99025	1.0
115.05431	2.4
117.06293	1.1
117.06994	10.8
119.04939	9.3
119.08577	14.3
121.10126	4.1
123.11696	9.1
129.07013	1.3
131.08621	1.0
133.10121	12.0
134.09647	22.3
135.08029	12.6
137.09619	1.7
147.07990	1.4
149.09634	1.2
151.11179	14.8
157.10083	2.1
159.11694	1.6
183.11659	1.5
186.35640	1.1
187.11168	5.0
210.11240	100.0
213.12575	1.2
262.13489	1.2
267.17361	1.8
422.39059	1.1
518.84424	1.2
582.30579	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20915	0.7
51.88429	0.7
58.06598	1.1
58.37643	0.7
67.05482	1.4
69.03419	1.0
70.59099	0.8
72.04508	13.4
76.04786	0.7
78.31480	0.8
79.05480	2.0
81.07049	3.9
83.84286	0.8
88.43214	0.8
91.04903	1.7
91.05476	40.2
93.07039	10.2
94.40065	0.8
95.08604	7.7
105.07043	7.9
107.08604	6.7
109.06497	1.4
109.10154	4.7
117.07028	1.2
119.04925	13.3
119.08564	9.1
121.06538	1.6
121.10159	11.4
123.08042	1.2
131.08586	3.8
133.08893	1.8
133.10121	4.6
134.09653	61.6
135.08064	3.8
135.11638	1.3
137.09601	11.1
138.39673	0.9
142.50848	0.8
143.08556	3.5
145.10141	3.6
147.08057	1.8
148.11174	6.8
149.09608	3.9
155.08562	3.1
157.10132	4.9
159.11703	5.0
161.09682	1.7
164.10692	32.7
169.10074	3.2
171.11658	3.4
173.13226	1.3
175.11241	1.5
177.12781	1.5
181.10135	0.9
183.11714	8.6
185.13239	1.7
187.11244	1.0
192.10196	5.8
193.10094	1.7
195.11679	1.3
197.09764	1.2
197.13303	3.5
199.11278	1.6
201.12770	1.3
207.11548	1.2
210.11261	49.5
211.11349	0.9
211.14915	1.2
225.12955	1.2
239.17955	3.6
249.16331	3.4
257.18997	1.0
267.17465	7.1
285.18719	1.5
313.17978	1.1
522.28705	1.7
569.64459	1.0
582.30676	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	582.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72417	1.0
67.05494	1.7
75.28442	0.9
79.05478	2.2
81.07056	7.8
91.05476	63.2
93.07044	8.5
95.04948	1.0
95.08580	6.4
105.07022	6.8
107.08581	7.2
109.10173	3.7
115.05470	1.7
117.07017	15.1
119.04941	13.9
119.08585	17.3
121.10123	5.9
123.11703	15.9
133.10117	10.7
134.09647	19.9
135.08043	26.7
136.08389	6.7
137.09621	4.0
142.68053	1.0
145.10127	1.2
147.08061	2.2
149.09508	1.3
151.11176	17.5
159.11690	2.2
161.09760	1.7
173.09604	1.2
181.08569	1.5
183.11725	1.6
185.13293	1.1
187.11243	1.4
210.11250	100.0
284.20856	1.2
296.32053	1.0
330.52963	1.0
530.23547	1.1
582.30560	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09660	0.9
57.17673	1.0
67.05496	1.2
72.04510	10.0
79.05504	1.2
81.07037	3.8
91.05482	41.8
92.17896	1.1
92.20818	0.9
93.07036	11.5
95.04951	0.9
95.08603	5.4
105.07020	6.8
107.04958	1.3
107.08596	6.0
109.06512	2.0
109.10151	4.7
112.55168	1.0
117.07055	1.3
119.04917	16.4
119.08554	12.4
121.06516	2.1
121.10132	11.1
123.08021	1.2
129.06982	1.0
131.08566	6.0
133.08885	1.1
133.10103	5.2
134.09651	65.0
135.04497	0.9
135.08054	4.0
135.11720	1.1
137.09619	10.9
142.07794	1.1
143.08562	2.2
145.10132	2.2
147.11667	1.1
148.11182	9.8
148.12222	0.9
149.09601	2.4
155.08592	2.0
157.10106	5.3
159.11688	3.8
161.09601	1.3
163.11124	1.6
164.10706	36.1
169.10127	1.9
173.09503	1.0
173.13278	1.9
175.11166	1.0
181.10126	2.4
183.11670	13.1
185.09610	1.1
185.13205	1.7
192.10194	5.7
195.11650	1.6
197.13350	4.9
199.11259	1.6
201.12740	1.1
205.36311	1.0
207.11650	1.3
209.13219	1.4
210.11241	47.8
210.13232	1.9
211.11084	1.3
211.14752	2.1
230.88747	1.1
239.17894	4.7
249.16364	4.0
257.19101	2.4
267.17563	4.6
272.18646	1.0
285.18466	4.2
295.16977	1.2
313.18063	1.5
315.49139	1.1
402.82968	0.9
450.56082	1.1
522.28619	4.6
582.30615	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	582.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37272	0.8
52.65775	0.7
54.24361	0.7
54.36868	0.8
60.80816	0.7
64.73531	0.8
67.05491	1.8
67.38999	0.8
67.54472	0.7
69.07050	3.4
70.66322	0.8
72.04497	2.0
75.94130	0.9
78.46030	0.9
79.05473	1.3
81.07046	8.3
85.82189	0.8
90.08424	0.8
91.05478	51.4
92.18491	1.6
93.07037	11.3
95.04976	1.2
95.08597	5.9
105.07036	21.0
107.08577	8.6
109.06499	2.1
109.10161	6.3
115.05407	1.0
117.07024	6.6
119.04939	11.7
119.08568	12.8
121.06472	2.1
121.10132	13.5
123.08073	1.1
123.11713	15.9
129.07025	1.3
131.08557	5.3
133.10083	10.4
134.08626	1.5
134.09647	43.8
135.08063	9.4
135.11691	1.3
137.09625	2.1
143.08536	3.6
145.10124	6.4
147.11713	1.6
148.11176	4.1
149.09584	2.1
151.11177	12.9
157.10139	6.9
159.11699	2.0
161.09604	1.9
164.10626	6.8
169.10052	0.9
171.11601	3.1
173.09608	1.0
173.13255	1.2
175.11163	1.3
179.10590	0.9
181.10117	1.1
183.11667	9.8
192.10249	1.1
195.11705	1.7
197.13234	3.8
199.11151	1.5
207.11668	1.5
209.13356	1.7
210.11229	64.9
211.11198	1.8
211.14847	1.6
225.12790	1.9
234.14247	1.2
239.17947	4.0
249.16336	2.0
257.15393	1.0
267.17426	6.8
285.18491	5.0
313.18201	1.8
582.30579	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	582.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60086	4.2
55.05504	7.0
57.70882	5.3
64.34576	5.5
67.05509	11.8
79.05499	11.9
79.60984	4.7
81.07059	22.4
84.77080	5.3
91.05486	10.6
93.07049	29.0
95.04992	13.9
95.08604	81.3
96.76395	6.4
97.72112	6.0
98.98516	7.1
103.05479	8.9
105.07036	54.7
107.08614	54.7
109.06529	7.3
109.10193	10.9
110.15093	6.1
115.11282	5.4
119.08594	72.9
121.10123	25.5
123.08115	45.4
123.11675	6.7
131.04912	76.0
131.08578	23.9
133.10135	35.4
135.08070	24.1
135.11644	50.6
137.09587	6.9
143.08553	22.3
145.10138	36.5
147.08047	24.2
147.11642	8.1
149.09612	11.0
155.08549	22.4
157.10088	43.5
159.08118	7.9
159.11650	24.1
163.11208	28.1
169.10123	28.2
171.11679	24.8
173.09486	20.1
175.11139	7.3
181.12204	12.2
183.11742	26.0
185.13193	9.7
194.10797	6.5
195.11710	45.5
197.13287	8.0
199.11223	10.7
201.12808	7.5
209.13293	42.3
213.12784	10.4
221.13379	7.7
246.13989	6.1
251.17964	37.5
251.41039	6.2
254.00706	6.4
269.19043	34.2
271.16928	100.0
279.17538	22.7
297.18549	82.3
315.19464	9.6
357.20569	34.0
373.83032	6.0
565.74982	6.7
582.14838	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	582.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58590	2.1
66.54778	2.6
67.05495	9.8
69.72317	2.2
79.05035	2.3
79.05479	6.1
81.03417	18.1
81.07050	13.4
91.05473	12.2
93.07035	35.6
95.04975	16.6
95.08599	18.9
105.07057	21.7
107.04964	3.0
107.08598	26.3
109.10175	18.3
117.07010	11.1
119.08580	50.5
121.10112	10.4
130.07829	2.8
131.08557	10.4
133.10127	100.0
135.08051	38.1
135.11684	5.3
137.09668	3.4
143.08578	16.4
145.06526	4.0
145.10123	68.1
147.11696	16.1
155.08511	4.1
157.10123	14.5
159.11694	16.5
161.09615	32.1
163.11159	24.9
167.08585	5.8
169.10138	14.0
171.11700	24.4
173.13281	4.1
181.10133	15.3
183.11745	10.8
185.13252	5.8
187.11069	2.8
193.10123	3.4
194.10957	5.0
195.11665	21.6
197.13229	12.0
208.12584	2.9
209.13268	35.8
210.14140	2.5
221.13200	4.3
223.14819	21.2
235.14696	3.1
237.16382	10.3
246.14041	2.8
261.16339	3.9
265.19507	94.0
279.17465	10.2
283.20520	27.6
325.21671	10.6
343.22757	11.0
384.61423	2.7
385.23715	46.4
477.25290	2.6
582.32556	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02008	0.9
53.03955	0.7
55.05508	0.8
56.07198	0.8
61.95162	0.7
67.05520	5.8
67.05825	0.8
69.07079	1.2
79.05483	6.1
81.03409	6.8
81.07066	8.0
85.55484	0.7
91.05482	8.8
93.07040	21.3
95.04967	13.6
95.08596	13.3
105.07052	11.9
107.04934	3.8
107.08588	13.9
109.06535	1.8
109.10166	9.8
111.08093	4.0
112.53777	0.8
117.06999	7.9
118.38808	0.9
119.08572	38.4
121.06502	1.5
121.10190	8.0
130.07813	3.9
131.08545	6.2
133.10129	100.0
135.08081	15.3
135.11687	5.1
137.09612	5.9
141.07004	1.1
143.08565	8.9
145.06464	1.3
145.08946	1.6
145.10123	48.8
147.08083	1.0
147.11691	12.6
151.89433	0.9
155.08525	4.3
156.09280	1.3
157.10158	11.1
159.11697	11.8
161.09607	11.3
161.13254	1.0
163.11172	16.3
167.08533	4.0
169.10132	5.9
171.11700	12.6
173.13240	9.4
179.08566	1.5
181.10139	6.1
183.11696	7.2
185.13280	5.1
193.10214	1.3
194.10948	4.5
195.11678	12.7
197.13235	9.4
199.14798	1.5
208.12523	3.1
209.13258	22.2
210.14046	1.0
211.14825	1.8
222.14157	2.9
223.14841	16.4
225.16374	1.0
227.14346	1.4
235.14755	1.4
237.16365	1.8
250.17200	3.8
254.51109	1.0
265.19489	59.6
283.20566	14.6
325.21640	6.8
343.22687	3.4
385.23721	25.0
582.32568	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	582.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30064	1.7
55.61469	2.0
57.07068	2.2
67.05508	2.1
69.07068	4.7
81.07060	2.3
83.04977	2.9
83.68891	2.1
85.08775	1.8
91.05443	3.2
93.07053	8.2
95.08613	2.8
97.02913	2.5
97.06532	11.0
105.07030	3.5
107.08606	8.0
109.06516	12.7
109.26779	2.1
110.81287	1.8
113.05979	3.3
119.08585	11.5
121.06538	4.1
121.10117	4.3
123.03534	1.9
123.04407	4.0
131.08562	4.1
133.06555	2.2
133.10139	14.5
135.08061	45.4
137.05960	4.7
137.09610	2.4
143.08548	4.2
145.06491	46.9
145.10164	8.4
147.08069	17.5
147.11723	3.5
155.08653	2.5
156.09259	2.4
157.10135	7.7
158.06047	1.8
159.11714	13.0
161.09564	4.0
163.07532	100.0
163.14809	2.2
165.05475	4.0
165.09087	8.2
168.09380	2.2
169.10150	4.9
171.11693	15.4
175.11086	2.8
183.10208	2.9
183.11694	18.8
185.09595	2.7
185.13258	2.9
187.11197	2.3
195.11726	2.3
197.09641	2.5
197.13255	13.6
199.11176	4.7
201.12753	3.6
205.08629	12.9
207.11618	14.1
209.13255	8.3
211.11285	3.9
211.14651	2.4
221.13210	4.0
223.09647	4.7
223.14848	4.5
224.15817	2.7
225.12787	14.4
229.12274	2.5
234.14105	3.7
239.14252	9.4
239.17932	34.4
249.16331	18.8
257.19061	4.0
267.17435	71.6
285.18518	33.4
323.14896	33.8
327.19568	70.9
339.52420	2.0
345.20642	20.7
351.57278	2.2
385.23688	4.0
387.21729	17.5
445.25934	7.8
447.23642	4.2
505.28140	8.6
565.30078	13.8
582.32788	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	582.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	15.1
67.05502	4.1
69.07064	3.4
71.18943	2.6
81.07056	18.1
83.24042	2.6
85.06578	4.8
91.05471	12.6
93.07045	46.8
95.04983	5.4
105.06998	6.9
107.08597	7.3
109.06523	6.5
111.08074	3.7
117.07031	4.1
119.08568	18.0
121.10164	10.8
131.08597	4.5
133.06555	4.2
133.10130	25.1
143.08583	13.3
145.10098	17.1
147.11681	5.9
155.08589	16.8
157.10129	27.2
159.11691	33.6
161.05952	5.6
169.10066	27.4
171.11679	17.4
173.13100	3.3
175.07512	4.0
181.10127	18.7
183.11697	5.3
185.09595	3.8
185.13191	7.3
187.11163	3.9
187.14824	14.6
195.11679	46.4
197.09682	3.1
197.13290	16.1
199.11180	4.0
199.14809	7.0
203.10683	6.6
209.13248	12.4
211.14781	46.3
213.12755	6.8
213.16342	3.7
227.10716	6.7
227.17929	3.7
237.16374	32.0
239.17896	3.8
241.12207	3.8
255.17430	30.3
263.12906	6.0
273.18512	4.8
283.16965	67.4
290.62241	3.3
301.17938	100.0
301.21136	5.3
343.18887	36.7
361.20059	4.3
372.96252	3.5
379.98947	3.7
385.23871	3.9
403.21088	16.6
490.67896	3.0
505.27896	5.8
547.34106	11.4
582.33234	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	582.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54846	0.8
59.79188	1.0
60.08154	1.0
60.10722	0.9
70.34227	0.9
79.05486	6.1
91.05455	1.1
95.04967	1.1
105.07020	1.2
107.04950	84.6
107.08598	1.3
111.16867	1.0
119.08563	2.3
121.10105	1.4
131.41049	1.1
133.10115	1.8
134.09653	14.8
149.05948	20.4
149.70206	1.1
189.95438	0.9
194.11758	100.0
209.13220	1.0
214.84315	1.2
244.47101	1.0
269.18814	1.1
297.18579	1.8
522.32233	9.2
582.34381	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
74.86023	1.1
79.05485	8.5
81.07035	1.4
91.05455	2.0
93.07027	2.5
95.08598	2.1
105.03382	5.4
105.07019	6.2
107.04951	100.0
116.00598	1.5
119.08603	4.6
120.08099	17.8
121.10125	2.2
131.08574	2.3
133.10139	4.7
133.88286	1.2
134.09653	7.1
137.09570	1.5
143.08504	4.0
145.10123	1.6
149.05968	20.8
155.08559	1.6
157.10205	1.3
158.83034	1.5
159.11783	2.2
169.10069	1.3
171.11685	1.7
180.10185	64.1
183.11668	2.2
194.11771	38.4
194.13547	1.5
206.10945	5.7
221.13219	6.6
225.16455	1.4
265.19553	2.5
283.20523	5.7
310.79395	1.3
343.49231	1.2
434.39645	1.4
462.29828	2.8
522.32227	10.3
582.33429	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	582.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78288	1.1
58.63885	1.0
58.72836	1.1
68.64708	1.3
69.07008	1.0
74.38216	1.1
75.73515	1.0
79.05492	7.8
90.17442	1.1
93.07024	1.3
95.08593	2.3
105.06999	5.1
107.04950	100.0
107.08592	1.6
119.08562	5.1
120.08083	13.2
121.10100	2.0
131.08572	1.7
133.10120	4.2
135.38499	1.0
145.10004	1.5
147.11682	1.5
149.05983	18.4
151.99858	1.3
157.10129	2.6
159.11592	1.4
159.33502	1.1
171.11644	1.3
180.10173	92.7
185.13103	1.2
185.67368	1.1
199.80386	1.0
206.21349	1.1
223.14745	1.2
265.19461	1.6
283.20572	2.7
506.57819	1.1
522.31989	16.9
553.32251	1.1
582.34546	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	582.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48260	1.2
57.04607	1.0
64.79551	1.1
69.53876	1.1
79.05492	7.8
79.93532	1.2
91.05486	1.8
103.05465	1.5
105.07047	1.9
107.04953	100.0
108.05279	2.9
108.66077	1.2
119.08562	6.0
131.04918	6.6
133.10127	1.8
134.09621	13.6
143.08566	1.4
145.10022	1.6
149.05960	21.5
149.09644	1.3
150.06300	2.1
157.10126	1.5
159.07988	1.3
159.11693	2.1
179.21918	1.4
180.10210	10.2
181.10497	6.5
185.13277	1.7
194.11752	88.8
197.13313	1.9
213.12726	1.9
297.18518	6.9
303.34494	1.2
349.23486	1.5
522.32031	7.8
565.28058	2.1
582.33905	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	582.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51135	1.4
63.68016	1.6
79.05486	7.9
83.24463	1.5
89.22841	1.5
97.10228	1.3
100.63702	1.4
105.07027	6.8
107.04961	100.0
107.05685	3.7
109.68013	1.5
119.08602	2.2
120.08112	10.1
121.10131	2.3
121.63268	1.4
121.69806	1.9
131.48604	1.6
148.32759	1.6
149.05975	20.0
180.10194	96.0
191.88423	1.8
225.16571	1.9
250.78700	1.6
255.21046	1.8
265.19107	1.5
393.62784	1.5
428.76077	1.6
522.32123	18.1
582.34149	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91245	1.1
76.36623	1.3
79.05493	9.3
81.07051	1.9
87.95298	1.2
91.05458	1.4
93.07040	2.9
95.08559	2.7
105.07029	10.4
107.04950	100.0
107.08584	3.2
119.08565	6.8
120.08092	26.4
121.10117	5.8
131.08539	2.7
133.10110	5.9
137.09647	4.5
143.08504	4.2
145.10081	2.5
147.11655	2.1
149.05984	22.6
157.10092	6.4
159.11662	2.2
171.11670	3.0
180.10185	94.3
181.10358	1.7
183.11667	2.4
185.13196	2.0
193.87430	1.5
194.11748	5.6
197.13309	1.6
204.96306	1.5
209.13268	2.5
265.19574	2.4
283.20551	11.9
286.04111	1.4
312.24237	1.6
362.30008	1.7
462.29843	8.8
522.32141	11.5
582.34070	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	582.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40528	0.8
73.13710	1.0
73.14160	0.9
79.05483	5.5
93.07011	1.0
93.31913	0.9
95.08605	1.0
105.07020	1.9
107.04951	88.5
109.10110	1.2
119.08556	2.1
120.08097	13.8
121.10141	1.5
133.10138	4.1
145.10036	1.3
149.05981	23.7
157.10141	1.3
171.11536	1.2
180.10187	100.0
181.10518	1.6
265.19394	1.5
267.49478	1.0
272.63019	1.0
283.20505	4.6
365.09540	1.2
522.32031	18.5
582.34094	13.9
596.81818	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	582.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02026	0.7
72.04503	1.3
72.18004	0.7
79.05490	5.5
81.07067	1.7
89.56606	0.8
91.05470	5.7
93.07027	1.8
105.07043	0.9
107.04956	86.2
107.08582	1.1
109.10164	1.1
116.89489	0.8
119.08611	3.4
125.10823	0.9
131.08492	1.2
133.10135	1.3
134.09659	18.5
137.09576	1.0
143.08597	1.8
145.10048	1.0
147.08012	0.9
149.05974	18.6
149.09711	0.9
157.10179	3.1
169.10020	0.9
171.08011	0.8
194.11763	100.0
195.53699	0.8
197.13306	1.0
210.11169	6.3
211.14865	1.2
223.36172	0.8
297.18427	1.7
315.19394	1.3
317.66138	0.8
373.96860	1.0
522.32147	9.1
582.34485	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17978	1.0
57.44037	1.0
58.45182	0.9
74.80289	1.2
79.05489	8.7
91.05457	1.2
92.17810	2.4
92.71945	1.0
105.07037	2.8
107.04954	100.0
107.08622	1.3
119.08556	2.1
120.08124	10.3
127.75215	1.1
134.09628	1.7
144.11264	1.3
149.05975	20.3
150.24245	1.1
169.10124	1.3
180.10191	99.3
265.19409	1.9
483.16501	1.4
564.33191	2.2
582.34399	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	582.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34898	1.2
64.87449	1.1
78.36864	1.3
79.05488	9.1
81.07085	2.0
88.38963	1.1
91.05471	1.1
93.07053	1.4
95.08620	4.1
100.12197	1.0
105.07015	7.1
107.04947	100.0
107.05678	3.3
107.08594	2.7
119.08569	6.3
120.08094	20.7
131.04893	1.5
131.08546	1.6
135.08032	1.2
143.08527	2.8
145.10178	2.6
149.05969	22.7
149.09584	2.1
157.10126	2.8
159.11592	1.6
163.11185	1.7
169.10143	2.2
171.11597	1.5
175.52583	1.1
175.99431	1.3
176.07079	2.2
180.10182	81.3
181.10103	2.0
183.11719	1.6
195.11642	10.4
197.13278	6.4
200.00772	1.1
206.89777	1.1
209.13271	5.3
211.14838	2.1
222.14038	1.6
234.45244	1.1
235.14761	2.5
237.16386	27.2
251.17918	2.2
269.18985	5.7
279.17426	2.2
283.20480	1.3
311.19980	11.8
329.21091	1.4
343.22665	14.1
379.60770	1.1
421.79510	1.3
462.29846	5.1
490.29520	2.2
522.32074	11.3
543.02698	1.2
582.34583	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	582.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03615	1.1
56.30280	1.4
66.66376	1.2
79.05495	6.4
81.07031	1.5
90.88425	1.3
91.05477	1.6
93.07056	2.3
95.08611	2.2
105.07028	10.2
107.04959	84.1
107.08600	2.5
109.10200	2.3
114.05715	1.5
119.08588	7.3
120.08102	22.1
121.10143	8.4
121.10949	1.4
123.11709	1.9
126.16647	1.4
131.08559	2.2
132.52472	1.6
133.10147	3.4
137.09622	2.8
143.08582	2.5
145.10095	3.1
149.05971	19.3
157.10094	2.1
159.11662	2.2
162.09158	2.5
169.10098	2.5
180.10193	100.0
183.11667	2.0
194.11824	2.7
209.13202	1.9
213.12799	1.4
225.16411	3.0
265.19461	5.4
283.20602	11.2
283.78055	1.6
462.30066	11.2
508.49683	1.5
519.89954	1.3
522.32117	10.7
582.33862	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	582.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10570	0.8
52.70338	0.7
58.65871	0.7
62.47978	1.0
67.54746	0.8
71.41074	1.1
72.49734	0.8
79.05492	7.7
88.32904	0.9
105.07015	1.6
107.04951	100.0
120.08102	10.6
121.86600	0.9
131.08524	1.1
133.10170	1.5
145.10156	1.4
149.05954	21.6
157.10162	1.0
171.11826	0.9
171.19852	0.9
180.10181	90.9
213.63628	1.0
283.20599	1.8
335.13208	1.1
522.32062	1.6
564.33130	4.0
582.34088	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	582.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14671	1.2
56.72390	1.0
59.05031	2.3
79.05515	2.8
81.07065	1.6
85.19257	1.1
93.07022	1.5
95.08617	2.0
98.75383	1.1
105.07034	7.2
105.17142	1.2
107.04951	100.0
107.08628	4.7
119.08624	5.4
120.08098	24.0
120.08898	1.5
124.61530	1.2
131.08572	2.9
135.08075	1.3
137.09650	1.2
143.08548	1.8
145.10126	2.4
146.22557	1.5
149.05995	22.8
149.09650	1.8
155.08562	1.9
157.10094	3.3
163.11127	1.7
169.10152	2.1
180.10185	80.3
181.10139	2.3
183.11798	2.0
195.11705	6.6
197.13293	6.6
209.13289	5.0
211.14853	1.7
222.14073	2.3
235.14816	2.5
237.16345	27.0
251.18004	5.7
269.18988	4.4
279.17471	2.6
311.19962	15.2
343.22705	11.6
416.78873	1.5
462.30252	2.7
522.32318	13.7
582.34387	13.3
582.42395	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	582.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42446	0.9
51.86481	0.8
61.41241	0.9
76.04773	1.0
76.53269	1.1
78.63699	1.0
79.05485	7.4
86.84142	1.1
91.05454	1.3
92.17786	1.4
93.07027	1.7
95.08617	1.7
96.49439	1.0
105.07034	5.5
105.34364	1.0
107.04951	98.7
114.42213	1.0
119.08562	4.2
120.08091	14.2
133.10179	2.3
143.08543	2.0
147.11665	1.4
147.77219	1.0
149.05960	23.0
159.11728	1.5
180.10178	100.0
185.13315	1.4
283.20374	1.6
301.31274	1.1
495.69214	1.5
502.23834	1.1
522.32129	15.1
582.34039	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47365	0.8
55.27226	0.8
57.51643	0.8
65.42234	0.9
79.05499	8.0
83.86852	0.9
84.28795	0.8
92.79376	1.0
105.07021	1.9
107.04955	100.0
114.88207	0.9
120.08096	7.5
123.37507	0.9
149.05975	21.1
149.32660	0.9
171.11617	1.3
180.10179	83.1
265.19424	1.3
283.20709	1.3
479.29495	1.0
522.32538	2.1
531.87115	1.0
564.32996	3.8
582.34113	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	582.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02026	0.7
72.04503	1.3
72.18004	0.7
79.05490	5.5
81.07067	1.7
89.56606	0.8
91.05470	5.7
93.07027	1.8
105.07043	0.9
107.04956	86.2
107.08582	1.1
109.10164	1.1
116.89489	0.8
119.08611	3.4
125.10823	0.9
131.08492	1.2
133.10135	1.3
134.09659	18.5
137.09576	1.0
143.08597	1.8
145.10048	1.0
147.08012	0.9
149.05974	18.6
149.09711	0.9
157.10179	3.1
169.10020	0.9
171.08011	0.8
194.11763	100.0
195.53699	0.8
197.13306	1.0
210.11169	6.3
211.14865	1.2
223.36172	0.8
297.18427	1.7
315.19394	1.3
317.66138	0.8
373.96860	1.0
522.32147	9.1
582.34485	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10477	1.1
60.76054	1.3
64.65990	1.1
67.22679	1.0
79.05492	7.0
93.07059	1.9
95.04948	1.3
95.08617	1.6
105.07036	4.8
107.04955	100.0
109.10155	1.7
117.88374	1.2
119.08563	2.3
120.08103	13.3
133.10132	2.0
143.08588	1.9
149.05988	20.4
155.80984	1.5
160.92340	1.2
171.11720	1.6
180.10182	90.0
203.06537	1.2
216.09547	1.3
283.20560	4.6
288.74954	1.4
404.76050	1.6
522.32123	14.7
582.34277	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	582.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63909	1.4
52.00146	1.4
62.06082	3.4
67.05497	2.0
79.05458	2.7
79.41842	1.8
81.03416	2.5
81.07049	8.1
91.69329	1.7
92.17924	2.6
92.82986	1.8
93.07021	3.8
95.04998	1.6
95.08600	6.5
96.34884	1.6
105.07009	8.8
107.04952	13.7
107.08585	16.2
109.10156	1.9
119.08563	10.9
120.74616	1.9
121.10136	3.6
123.11673	3.6
131.08601	1.9
133.06442	2.7
133.10080	8.1
135.08047	100.0
135.11575	1.9
143.08525	2.0
145.06487	3.0
145.10065	3.9
159.11673	2.1
161.09648	9.7
163.11166	8.4
169.09995	2.0
171.11671	2.9
174.39825	1.8
179.10786	5.6
180.10202	8.4
181.10295	2.0
185.13258	1.9
194.25732	1.6
195.11736	2.9
197.13177	2.7
209.13309	2.3
223.14825	2.8
265.19516	8.9
283.20462	21.8
285.28391	1.8
301.21622	1.7
461.28976	14.1
478.49966	1.7
538.33746	2.3
582.34521	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	582.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.9
56.37492	2.6
67.05505	68.2
69.07072	22.9
71.04959	2.9
72.79249	2.9
73.14866	2.8
74.65710	2.7
79.05495	24.4
81.07062	100.0
83.08614	19.9
85.06504	3.0
85.98820	2.7
90.64468	2.7
90.72356	2.6
91.05453	12.6
93.07044	36.8
95.08602	95.1
97.06548	13.5
97.10174	14.8
105.07023	14.8
107.08588	40.8
109.10156	47.8
111.08059	14.4
119.08563	19.2
121.10149	56.0
123.11694	18.8
131.08556	16.1
133.10114	34.6
135.11693	39.4
137.09645	5.0
137.13246	3.7
145.10112	15.1
147.11688	17.8
148.62521	3.1
149.13213	11.8
151.11154	6.0
159.11728	12.0
161.13229	11.5
173.13249	5.6
215.17921	12.0
233.18982	6.8
243.21094	4.2
251.20010	27.2
261.22165	13.4
279.23242	18.8
297.24332	23.8
312.81577	3.0
407.42032	2.9
511.41263	12.4
529.42438	77.8
547.43536	61.0
565.44672	10.8
582.47321	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	583.1234
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
58.25315	0.3
65.90876	0.3
92.17777	0.5
94.03098	0.3
121.02864	0.4
133.49196	0.3
135.04413	0.4
137.02348	14.4
137.03413	0.7
160.23486	0.3
167.03391	6.4
194.14392	0.3
212.76956	0.4
265.04861	0.3
274.22815	0.3
283.06061	2.8
307.03201	0.3
311.09183	1.8
335.09341	0.6
339.08762	0.6
390.07550	0.6
417.05716	2.7
417.10541	5.7
431.07538	3.8
432.08432	5.4
432.13666	0.5
449.08640	3.5
489.62088	0.3
511.09589	0.4
527.13458	1.4
529.54321	0.3
537.08276	0.7
547.89630	0.3
551.09741	10.7
555.12805	0.7
583.12354	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	583.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31531	0.3
57.58269	0.4
58.89388	0.3
61.63905	0.4
66.65432	0.4
107.04961	5.0
108.05281	0.8
111.04499	0.4
120.08083	0.8
121.55396	0.3
131.05037	0.4
137.02333	5.8
144.71651	0.4
149.05943	0.6
151.03899	1.9
167.03384	5.3
180.10187	3.0
181.10529	2.0
238.16699	0.7
269.04294	0.6
287.51056	0.4
297.07599	0.9
300.06387	0.9
303.44995	0.4
321.07544	0.6
325.06885	0.6
348.06436	0.6
349.07016	3.6
351.05109	0.4
361.07272	0.8
373.07147	0.4
389.06732	0.5
390.07321	1.8
391.08066	8.6
402.07230	0.5
403.77991	0.4
407.33612	0.4
417.05801	11.5
431.07678	11.3
432.08423	3.7
435.07010	0.8
505.09024	0.4
523.32770	0.8
525.70209	0.4
526.08765	0.6
538.09412	0.5
539.09991	0.7
541.11353	0.9
551.01184	0.9
551.09723	23.3
567.09161	4.2
568.09973	8.3
583.12323	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	583.1234
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
50.49036	0.7
60.81435	0.7
65.51698	0.8
67.08223	0.8
70.99388	0.7
71.67671	0.8
73.03906	0.7
74.69283	0.7
87.65050	0.8
110.11173	0.8
121.02848	31.6
135.04399	1.3
137.02332	0.9
142.80571	0.7
151.03883	4.0
184.07446	0.8
271.06009	4.9
298.04480	0.9
359.77277	0.9
403.15497	3.2
407.07574	1.8
407.76944	0.9
431.15567	6.0
431.20062	0.9
433.05444	4.3
435.06769	1.2
447.07199	6.2
448.07944	2.9
522.09479	1.2
528.26392	0.9
537.07880	6.2
539.09497	1.4
550.09351	1.3
551.09656	17.4
553.07452	0.9
567.09387	5.3
568.09918	5.4
583.12256	100.0
585.17535	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	583.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05146	1.1
66.30299	0.9
74.06960	1.1
121.02840	13.2
162.69441	1.0
183.02834	2.5
206.72508	1.0
237.27679	1.0
401.10266	2.2
403.15305	6.4
431.14835	10.8
447.06708	1.8
448.07675	1.5
465.08374	1.7
525.07141	1.1
533.08679	1.4
537.08105	42.2
550.09180	2.3
551.09692	5.6
568.09741	4.8
583.12219	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	583.1601
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
51.68930	0.6
55.14704	0.5
57.44100	0.7
58.02314	0.5
67.01859	3.8
67.17649	0.6
68.99783	0.6
69.98575	0.6
73.49699	0.5
75.93427	0.6
88.59952	0.6
134.79413	0.6
135.04417	23.9
145.01382	0.7
167.03387	51.1
185.04416	8.4
187.01181	0.7
225.37268	0.6
260.17804	0.7
285.07544	1.2
311.05533	2.4
382.97086	0.7
385.10901	1.3
391.11853	1.0
401.10510	1.5
402.10947	1.0
417.13315	55.1
443.11063	6.7
537.11017	0.7
551.12732	1.1
583.15808	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	583.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
75.08178	1.6
80.73042	1.3
97.02868	1.2
97.27045	1.1
108.73676	1.6
121.34064	1.3
133.13687	1.3
179.56569	1.4
224.30180	1.3
281.11639	1.9
282.12094	5.2
423.66916	1.4
430.72363	1.5
443.16925	6.8
461.17667	1.5
583.21521	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	583.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45848	0.5
72.00101	0.6
79.05510	0.8
81.07059	0.9
83.01088	2.7
91.05482	3.7
93.07034	3.9
94.23299	0.6
95.04944	3.0
95.08604	2.5
105.07027	4.1
107.04921	0.9
107.08591	3.9
109.06517	1.2
109.10152	2.7
115.80328	0.7
117.06984	1.3
119.08606	6.8
121.10144	1.2
130.07825	0.8
131.08571	2.7
133.10126	20.3
135.08047	3.6
135.11703	0.7
139.03667	17.3
143.08580	3.4
145.10115	9.5
147.11691	3.9
157.10097	3.2
159.11650	3.2
163.11217	1.3
169.10017	0.6
171.11728	2.8
173.13252	0.9
181.10135	1.0
183.09897	0.7
183.11665	1.3
194.10869	0.7
195.11661	1.4
197.13191	0.9
208.12439	1.3
209.13232	4.3
223.14844	2.6
265.19583	1.1
347.19867	2.9
363.73303	0.7
403.22235	0.9
471.74390	0.7
523.26721	2.7
573.88440	0.7
583.28790	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	583.2879
Annotation	Euphoscopin B
Peak:m/z	Relative Intensity
50.67018	0.5
55.30071	0.6
57.07064	4.4
71.36027	0.7
72.73060	0.7
77.23492	0.7
88.06954	0.6
90.11906	0.7
92.18522	1.1
93.07032	1.2
95.04986	0.7
95.08591	0.9
105.06997	1.4
107.08576	1.1
119.08562	1.5
119.95618	0.7
121.10134	1.0
130.73511	0.7
133.10158	0.8
135.08057	1.4
135.11748	0.8
143.08554	1.5
145.10139	1.0
157.10149	1.0
251.17914	0.7
267.54565	0.7
279.17511	0.9
281.24429	0.7
403.22501	3.9
463.24542	3.4
481.25684	1.1
523.26715	11.5
583.28760	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	583.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89737	1.7
57.07034	1.8
57.10317	1.9
64.50396	1.9
65.34256	1.9
67.05486	2.1
75.70724	2.2
79.05487	2.1
81.07075	13.5
93.07015	8.5
95.08591	9.9
105.07008	2.6
107.08598	3.6
109.10176	10.5
119.08553	4.0
121.10148	8.1
123.11726	7.3
133.10164	4.1
133.34547	1.9
135.11713	4.4
147.11705	8.8
148.23466	2.2
149.13254	4.7
161.13165	2.1
189.16373	2.6
203.89320	1.9
207.17368	3.3
213.09154	2.1
216.97110	2.2
221.13338	2.3
224.12036	2.1
225.09103	2.9
239.14204	3.0
252.11581	2.2
253.08591	3.1
267.13712	27.5
295.13281	100.0
361.17929	3.4
369.37463	2.0
375.19458	3.9
398.56317	2.6
443.25583	3.3
553.36377	19.4
565.36707	17.5
583.14606	8.7
583.37799	52.5
604.56995	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.4
57.07076	9.3
58.46619	6.7
61.45986	6.4
79.05509	8.4
81.07064	16.2
91.05515	8.3
93.07029	41.2
105.07064	16.9
105.33123	8.9
107.08591	15.8
119.08564	40.4
121.10167	31.8
131.08583	10.0
133.10123	16.8
143.08566	30.7
145.10109	13.4
151.07590	7.3
157.10078	27.2
159.11726	13.3
165.09108	12.8
171.11667	10.3
173.13245	8.3
183.11794	8.9
189.01016	6.9
197.13226	8.8
217.15784	8.1
221.15308	8.2
225.94489	7.7
371.78354	7.8
565.40155	8.7
583.41492	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84407	1.5
55.05519	7.0
57.07075	3.8
58.90572	1.5
61.38494	1.6
63.16465	1.5
67.05495	9.6
69.03436	2.8
69.07052	9.3
71.70841	1.5
74.09146	1.5
75.77489	1.7
79.05487	10.4
80.18130	1.7
81.07060	18.9
81.50665	1.9
83.08611	3.7
91.05476	11.0
93.07050	21.2
95.04958	2.1
95.08591	18.6
105.07038	28.7
107.08585	24.7
109.10149	8.4
117.06995	3.9
119.08582	39.5
121.10149	26.4
123.08067	9.3
123.11671	2.8
125.06023	2.3
127.52202	1.9
129.06998	4.0
131.08543	20.3
133.10141	22.5
135.08055	3.1
135.11681	6.2
137.09630	4.3
142.07846	3.3
143.08525	18.3
144.09369	2.8
145.10152	25.4
147.08084	12.0
147.11725	9.0
149.09714	2.4
149.13348	2.0
151.07529	8.8
156.09303	7.4
157.10136	38.0
158.10951	3.5
159.11691	15.8
161.13257	2.9
165.09100	19.5
167.08603	2.7
167.10713	2.1
168.09357	1.8
169.10190	14.9
170.10921	7.1
171.11661	22.4
173.13324	14.2
175.14861	7.3
179.08502	2.5
181.10138	6.9
182.10832	2.9
183.11752	17.4
185.13297	9.7
187.14908	2.4
191.14461	2.3
193.10172	7.3
194.10907	3.9
195.06027	1.8
195.11697	13.1
196.12515	3.1
197.13297	10.3
199.14885	4.4
203.14250	6.4
206.10837	2.4
207.11723	10.5
208.12532	3.1
209.13242	17.8
211.14836	8.6
217.15993	2.3
219.11710	2.7
219.69453	1.9
220.12491	2.6
221.13268	7.8
221.15393	25.9
222.14192	2.7
223.14864	8.2
225.16406	2.5
233.13249	3.5
235.14899	7.1
241.71571	1.8
246.14084	2.5
247.14819	3.8
249.16356	4.1
251.17865	2.8
259.14883	2.2
261.16425	3.3
265.19586	2.1
269.18997	3.0
275.18079	6.6
283.20493	9.3
289.19781	2.2
306.20062	1.8
349.25278	2.8
375.27029	2.2
484.89697	1.8
565.40283	13.4
583.41479	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48594	3.6
51.87231	4.4
54.43080	3.8
54.78020	4.1
55.05513	4.6
57.07073	4.2
61.62585	4.7
67.05511	10.7
69.03409	5.2
69.07061	9.7
81.07069	8.9
83.82310	4.6
85.20331	4.4
91.05484	6.6
93.07047	19.0
95.08589	22.9
105.07032	28.5
107.08590	32.0
117.07068	4.9
119.08592	36.8
121.10129	26.0
123.08057	6.9
131.08571	22.1
133.10124	28.6
137.09653	5.7
142.07816	4.7
143.08525	24.1
145.10150	34.3
147.08015	8.7
147.11720	5.5
151.07509	7.4
157.10106	43.7
159.11714	9.0
161.13191	6.5
165.09062	19.0
169.10143	18.5
171.11668	19.8
173.13286	6.6
183.11732	9.0
185.13235	8.1
194.10881	7.9
197.13257	22.9
199.14835	5.7
203.14304	6.4
207.11748	5.0
209.13295	9.2
221.13458	5.1
221.15425	25.4
223.14876	6.8
235.14905	5.7
283.20590	8.2
339.41327	6.5
496.00150	4.7
565.40692	5.3
583.41443	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	583.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	9.5
56.67708	1.5
57.03428	5.8
58.64464	1.0
67.05509	29.3
69.07083	9.4
70.98973	1.2
71.05004	1.2
71.51977	1.2
79.05495	27.9
81.07063	31.4
83.08608	8.3
91.05483	19.3
93.07041	32.0
95.04917	2.4
95.08600	27.0
97.06506	2.1
97.10185	1.6
99.04581	1.6
104.23370	1.4
105.07031	23.3
107.08608	17.7
109.10146	14.3
117.06988	3.3
119.08577	21.7
121.10132	21.6
123.11649	2.4
129.07025	5.4
131.08594	13.2
133.10130	20.4
135.08015	1.6
135.11690	12.0
143.08583	6.3
145.10159	13.3
147.11673	17.3
149.13275	6.3
155.08507	2.0
157.10144	3.3
159.11661	13.4
161.13232	14.3
169.10135	3.3
171.11633	9.3
173.13266	8.9
175.14867	5.8
183.11743	3.0
185.13258	7.9
187.14793	5.3
189.12848	1.9
197.13263	3.0
199.14857	6.7
209.13264	2.7
211.14854	5.4
213.16406	2.5
225.16553	1.6
231.17517	2.0
241.19547	5.9
257.18985	1.4
259.20505	13.2
307.22650	12.8
333.24442	9.7
335.25684	1.4
491.38998	5.8
565.42572	7.8
583.43579	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	583.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92405	1.5
55.05510	8.1
57.03437	2.0
57.07055	3.0
66.91686	1.4
67.05173	2.1
67.05508	39.5
69.07069	19.4
71.05002	1.7
79.05508	14.8
81.07059	80.7
83.04966	2.3
83.08624	14.1
85.06519	7.9
90.83244	1.5
91.05483	6.1
93.07032	20.9
95.08602	84.3
95.09216	2.7
97.06532	9.8
97.10183	11.5
105.07035	9.0
107.08601	21.9
109.10152	48.6
111.08086	2.4
111.11703	2.2
117.07038	2.5
117.22099	1.8
119.08578	14.9
121.10140	31.5
123.08049	2.2
123.11687	21.5
131.08548	8.3
133.10126	16.8
135.08160	2.0
135.11671	28.3
137.09641	2.6
137.13269	12.8
139.11217	3.0
145.10085	11.4
147.11665	16.6
149.09673	1.9
149.13232	13.1
151.11264	3.3
153.12729	2.3
159.11673	8.7
160.07120	1.8
160.92404	1.6
161.13252	13.2
163.11246	2.2
163.14836	6.3
173.11830	1.5
173.13260	6.4
175.14853	2.3
177.12811	2.2
177.16325	2.8
179.14259	2.2
187.14786	6.2
187.81425	1.8
191.14240	1.7
223.16910	1.8
243.21143	11.2
251.20184	2.0
261.22104	28.3
279.23163	67.0
295.22714	3.0
297.24243	100.0
315.25284	54.9
421.19211	1.7
421.33099	1.8
547.43518	6.2
565.44403	6.4
583.40802	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	584.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85260	1.2
69.03413	2.0
79.05506	3.4
81.07065	1.6
82.36056	1.3
83.05019	1.5
91.05482	100.0
93.07030	6.8
95.04964	5.6
95.08601	1.5
97.06516	2.8
105.07035	14.5
107.04970	14.3
107.08596	5.9
109.06510	15.5
109.10194	1.7
113.06008	3.0
119.04940	18.9
119.08559	11.7
120.07318	2.4
120.08104	37.7
121.06499	3.6
121.10123	1.5
123.04383	3.2
123.08067	3.5
125.05998	19.1
129.07040	2.0
131.08572	7.5
133.06488	8.0
133.10115	2.7
135.08090	3.3
137.05954	2.3
137.09583	1.7
139.07487	2.8
143.08569	15.2
145.06554	5.1
145.10106	5.9
145.81595	1.5
147.08060	5.8
149.06009	3.5
151.07539	3.0
157.10136	7.0
159.08095	6.4
161.09627	9.6
163.07597	1.6
167.08543	3.5
168.47664	1.7
169.10161	5.8
171.11696	2.4
173.06013	1.5
173.09581	7.6
175.07573	15.8
177.09042	2.1
179.08585	2.1
181.08635	4.6
181.10123	6.2
183.08078	1.6
183.11707	6.1
185.09648	6.0
187.11134	2.2
189.09087	2.7
193.10162	3.3
194.11787	6.9
195.11678	2.8
196.09698	85.2
197.08055	3.1
197.09642	5.5
197.13159	6.7
199.11143	2.5
201.12735	1.5
206.10886	6.3
207.09941	2.5
207.11765	10.1
209.09685	2.0
209.13306	8.3
211.11201	6.9
211.14851	2.2
213.09027	2.1
213.12830	1.6
219.11644	2.4
221.13252	13.3
223.11148	7.5
223.14548	1.6
225.12767	9.4
235.14798	3.1
237.12759	6.7
239.14331	6.6
241.12126	2.8
248.11983	2.1
249.12746	11.3
253.15956	2.8
263.14328	6.1
267.13800	8.9
269.15421	1.7
279.13715	1.7
281.15363	11.6
285.14890	3.0
291.13840	6.1
297.18536	2.5
299.16263	2.1
309.14899	25.7
327.15863	22.5
339.19467	2.8
341.17493	1.5
345.16852	3.2
369.16959	13.8
387.17996	8.1
429.19138	6.8
429.58420	1.6
489.21176	14.3
496.97510	1.4
524.30371	2.6
549.23157	8.0
584.25952	28.4
584.32416	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2856
Annotation	Dihydroergotamine
Peak:m/z	Relative Intensity
65.96028	1.1
69.03420	1.7
69.16294	1.1
71.06985	1.1
74.91909	1.1
79.05472	6.8
91.05495	9.1
97.02946	1.2
105.06989	2.1
107.04954	100.0
107.08552	1.0
126.33669	1.2
134.09637	14.9
135.08022	4.3
135.10049	1.3
137.06004	2.0
138.08740	1.2
143.08559	1.7
149.05981	16.0
155.08484	5.9
157.06494	4.8
160.21825	1.2
167.97385	1.1
169.10088	6.9
173.09610	5.8
181.10056	1.2
183.11685	15.7
185.09566	2.5
187.19984	1.2
190.24007	1.1
192.09357	1.9
194.11758	81.1
197.09619	4.5
197.13206	9.3
201.12653	1.3
207.11716	5.9
210.11281	8.8
211.11224	4.4
215.10698	1.2
224.11926	1.7
225.12706	16.2
235.11113	1.8
243.13725	8.4
253.12184	6.5
271.13251	2.2
331.15350	1.5
584.28418	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64439	4.5
52.22841	4.2
52.75344	5.7
53.53198	4.1
55.05528	45.7
66.83054	6.1
69.07065	6.8
79.77447	5.3
82.86291	6.6
83.04981	100.0
86.96589	5.4
90.37425	6.3
91.05495	41.9
93.06997	9.4
105.07042	9.4
107.04986	10.2
107.08595	9.8
109.10113	7.7
119.08586	8.9
121.06543	12.8
131.08571	6.9
133.06471	7.3
134.09691	12.3
135.08038	7.3
138.31342	5.4
141.83798	5.7
145.10143	10.6
147.08080	11.2
155.08583	7.5
157.10083	7.6
159.08055	33.4
161.09576	11.5
161.14784	6.7
169.10185	10.4
171.08003	5.5
173.09634	26.8
177.09084	8.6
181.10097	13.0
185.09583	7.8
195.11716	9.1
197.09575	11.3
197.13240	10.4
199.11076	60.5
209.09621	10.3
210.11229	30.2
211.11191	23.0
213.12857	6.7
223.11252	7.9
225.12776	28.8
227.10666	39.5
239.14259	11.8
241.12210	7.5
253.12230	27.4
271.13242	48.6
283.17065	10.4
311.16287	23.0
329.17517	29.6
331.15356	82.4
371.18427	7.2
373.10229	44.2
422.13174	43.2
471.23907	27.1
472.84201	6.9
489.25034	9.1
531.25940	14.0
584.31793	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96415	0.7
56.55273	0.7
60.22631	0.8
60.43821	0.7
67.05505	1.2
72.96855	0.7
74.30833	0.7
74.56001	0.8
81.07042	3.5
91.05478	76.9
93.07054	1.1
95.04922	1.0
95.08595	9.1
103.05473	1.1
105.07029	4.0
107.08587	6.2
109.06521	5.8
109.10136	1.4
113.38000	0.8
119.04935	16.1
119.08587	4.0
121.06476	1.1
121.10140	4.3
123.08065	8.4
123.11749	1.1
128.54776	0.9
131.08554	1.6
133.10130	1.9
134.09657	18.7
135.08038	1.1
135.11652	0.8
143.08553	1.4
145.10127	1.8
147.08034	1.9
147.11652	1.2
155.08473	0.9
157.10146	1.8
159.11682	1.2
169.10106	1.8
171.11707	1.0
209.13231	1.3
210.11241	100.0
253.15863	1.2
271.16977	7.0
297.18604	1.0
359.02246	0.9
386.54675	0.9
584.32166	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72320	1.0
67.05508	1.5
69.07072	1.3
70.92532	1.0
72.54314	1.0
73.79118	1.1
79.05487	2.0
81.07040	6.5
87.32535	1.1
91.05476	69.4
93.07021	5.8
95.04949	1.7
95.08607	20.6
103.05450	2.3
104.08924	1.2
105.07026	10.6
107.04922	5.5
107.08587	14.4
109.06516	6.3
109.10158	1.9
111.72595	1.2
119.04930	16.2
119.08563	10.7
121.06506	1.7
121.10114	5.7
123.08044	14.4
123.11652	1.8
131.08556	2.4
133.10132	5.9
134.09651	19.4
135.08051	2.2
135.11710	4.6
143.08543	1.7
145.10130	5.3
151.11230	1.4
157.10095	1.9
159.11687	2.7
163.11192	8.4
171.11636	1.8
185.09547	1.4
194.11819	1.5
195.11700	5.2
209.13277	2.7
210.11247	100.0
213.12805	1.2
221.80661	1.2
246.97557	1.3
271.16846	8.6
307.65863	1.3
315.19519	5.4
395.52896	1.3
449.90964	1.3
529.58496	1.8
584.32153	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95584	1.0
59.82063	1.0
71.85779	1.1
81.07060	6.2
91.05478	83.9
93.07034	1.9
95.04934	1.6
95.08598	9.2
105.07030	5.5
107.04988	1.4
107.08601	6.5
109.06519	4.3
109.10123	1.5
119.04952	13.1
119.08593	4.9
121.06533	1.8
121.10147	4.5
123.08086	7.6
123.11719	1.2
134.09659	20.1
145.10060	1.6
147.08012	1.1
151.11263	1.3
157.10144	1.9
159.11659	1.3
161.09639	1.4
169.10159	1.2
171.11673	1.5
185.13263	1.1
210.11247	100.0
271.17020	7.6
291.33871	1.1
297.18463	1.2
338.26553	1.1
347.83902	1.0
566.98804	1.1
584.32251	63.6
599.41388	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	584.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14665	1.5
65.39125	1.3
70.66537	1.3
84.80025	1.5
91.04901	3.4
91.05475	100.0
93.07036	1.8
95.04942	2.1
95.08595	3.1
105.07020	8.4
105.90754	1.6
107.04951	11.3
107.08591	2.3
109.06513	7.6
113.06011	2.5
119.04941	19.3
119.08550	9.8
120.08093	43.7
121.06516	2.5
123.04418	3.1
123.08078	3.2
125.05990	7.8
129.07027	2.5
131.08565	2.2
133.06480	3.9
133.10144	2.7
135.08054	2.7
143.08559	8.4
145.06528	1.9
145.10156	6.4
147.08026	3.2
149.05978	1.8
150.75720	1.5
151.07582	3.1
159.08014	2.7
159.13478	1.6
161.09642	2.7
163.07489	2.6
167.08603	2.3
169.10194	2.8
173.09625	2.9
175.07489	12.5
177.09175	2.1
181.08487	2.4
181.10051	2.6
183.11679	2.5
185.09633	6.5
185.13313	1.9
190.30299	1.6
193.10115	2.9
194.11751	1.8
195.08041	1.9
195.11749	6.8
196.09686	82.5
205.10193	2.2
207.10098	1.9
207.11829	2.0
209.13271	3.2
211.11137	2.3
211.14798	2.8
213.09186	2.0
221.13301	3.9
223.11143	3.6
225.12628	2.1
235.14682	2.9
239.14211	3.7
249.12697	6.4
253.15735	1.9
263.14224	2.9
267.13797	3.3
281.15396	6.3
291.13885	3.3
297.18430	2.3
299.16541	2.4
309.14865	12.8
327.15811	14.2
345.17206	2.1
369.17065	8.1
387.17822	3.1
429.18973	2.3
486.07138	1.9
489.21127	8.0
492.27606	2.3
524.29840	7.0
549.23346	7.0
584.24847	6.4
584.33441	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43435	0.9
55.95788	0.9
68.59824	1.0
75.40488	0.9
76.16074	1.0
79.05495	1.2
81.07038	1.9
91.05477	100.0
93.07048	2.5
95.08595	2.3
99.32230	1.0
103.05456	4.4
105.07028	6.9
107.08588	9.3
109.06484	1.9
109.10174	2.6
112.64085	1.1
119.04943	19.8
119.08562	10.8
121.06498	1.2
121.10147	1.9
123.08052	2.2
123.11692	2.6
133.10106	1.9
134.09650	28.5
143.08534	1.5
145.10083	1.8
151.11252	1.4
157.10115	1.6
161.09624	1.1
183.11752	1.5
185.13162	1.6
191.10652	1.3
196.09760	2.1
210.11235	97.7
213.12782	1.2
279.17438	1.2
298.81128	1.1
584.32184	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79807	1.3
79.05470	2.8
84.46703	1.6
91.05478	100.0
93.07028	6.2
95.08601	2.9
105.07050	6.5
107.04954	23.3
107.08607	5.5
109.06477	2.5
119.04935	18.0
119.08575	9.9
120.08100	33.0
121.10146	2.8
129.07007	1.4
133.06448	1.5
133.10054	1.7
134.09645	6.4
143.08559	2.7
145.10175	2.0
149.05975	6.8
155.08490	1.9
157.10054	1.9
166.08641	8.4
169.10143	3.6
173.09581	2.8
175.07568	3.4
175.11159	2.0
177.09186	3.1
183.11646	1.5
195.11649	1.8
196.09688	66.9
209.13223	1.9
210.11252	21.9
297.18573	3.6
363.27005	1.8
524.29944	3.0
549.23224	2.3
584.32422	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94321	1.1
52.24089	0.9
69.41932	1.2
71.34080	1.1
82.27525	1.1
91.05476	100.0
92.75336	1.3
95.08580	1.5
105.07019	1.3
107.08570	1.6
110.15974	1.6
119.04922	18.8
119.08575	2.5
123.08057	1.8
125.37031	1.4
131.08540	1.5
133.10179	1.2
134.09650	43.9
134.10629	2.2
157.10205	1.3
171.43315	1.5
210.11249	78.4
227.98601	1.7
309.76825	1.4
347.01373	1.4
566.31042	12.8
584.32184	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28000	0.7
55.77022	0.6
67.05499	1.4
79.05476	1.6
81.07040	3.7
91.05480	67.9
93.07051	3.1
95.04979	1.3
95.08615	8.7
101.14032	0.8
103.05466	1.9
105.07030	3.8
107.04971	2.9
107.08604	4.3
109.06499	6.1
109.10162	1.7
115.61568	0.7
119.04934	14.5
119.08566	1.3
121.06489	1.4
121.10170	3.7
123.08047	6.8
123.11664	1.2
131.08565	1.5
133.10133	1.0
134.09648	17.2
135.08020	1.3
145.10109	2.0
147.08017	0.8
149.09543	1.3
157.10219	1.1
159.11647	0.9
163.11165	1.4
175.11192	0.9
195.51981	0.8
210.11240	100.0
225.16203	0.8
271.16943	7.2
297.18796	1.5
454.81195	0.9
557.56506	1.0
584.32184	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.94287	0.7
73.53217	0.7
79.05125	0.9
79.05489	7.4
89.84382	0.9
91.05482	6.9
95.08608	0.8
105.07064	1.8
107.04952	100.0
107.08628	1.3
107.59696	0.8
111.08077	1.1
119.04922	0.8
119.08585	3.2
120.08145	3.2
121.10207	0.9
123.08084	1.0
133.10181	1.7
134.09683	7.4
135.08073	3.0
137.09709	1.1
143.08604	0.9
145.10173	1.2
149.05969	27.5
149.09645	0.8
155.08655	1.6
157.10146	1.3
165.09128	1.0
180.10188	26.7
180.11632	1.1
183.11746	1.9
193.32411	0.9
194.11761	84.8
203.05345	0.8
207.11809	1.0
210.11304	4.5
211.11182	1.0
211.22231	0.8
225.12885	1.7
241.15707	0.8
421.09357	4.2
422.09628	8.1
584.32440	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	584.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61057	1.1
91.05474	100.0
93.06995	1.6
103.05465	2.0
105.07046	1.2
110.17544	1.1
116.46074	1.0
119.04928	23.1
119.08575	2.6
121.02843	1.7
133.10191	1.3
134.08650	1.5
134.09653	43.4
171.72989	1.2
185.13289	1.2
210.11224	78.4
398.26263	1.3
438.00803	1.1
494.32465	1.4
566.30804	9.9
584.12830	21.7
584.22467	2.5
584.32104	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04512	0.9
79.05503	6.3
85.87645	0.9
91.05479	6.7
93.07006	0.9
99.64361	0.8
105.07021	2.0
107.04952	100.0
107.08611	1.4
111.08091	1.2
119.08622	3.3
120.08089	3.4
121.10068	1.2
131.08568	1.1
134.09650	5.7
135.08052	2.1
140.26396	0.8
145.10097	1.2
147.07988	1.1
149.05971	21.9
169.10080	1.6
180.10184	34.5
180.11723	1.8
183.11700	4.7
194.11758	74.6
195.11710	1.0
197.09598	1.2
197.13242	1.7
198.36966	0.9
207.11528	0.9
210.11176	5.6
211.11229	1.3
225.12737	6.0
229.12077	1.0
271.13452	1.0
302.53714	1.0
355.19037	2.1
521.27600	0.9
584.32520	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76595	1.1
67.05489	1.2
72.04509	11.7
79.05482	2.7
81.07069	1.4
91.05482	18.6
92.17879	3.2
93.07025	5.2
95.08593	2.2
105.07018	9.7
107.04951	69.2
107.08619	7.7
109.06538	2.5
109.10151	1.5
111.08073	1.9
119.04936	1.9
119.08571	5.3
121.06506	2.6
121.10168	5.9
123.08063	1.7
131.08566	6.3
133.06384	1.3
133.10117	4.8
134.09636	44.2
135.08073	2.1
137.09621	1.5
143.08533	1.3
145.10118	2.4
149.05971	19.3
157.10109	2.7
159.11676	1.7
169.10062	1.4
171.11700	1.9
176.10675	1.9
183.11768	4.5
194.11763	100.0
210.11241	23.3
211.11371	1.6
249.16373	1.7
267.17505	2.3
285.18445	1.4
511.94299	1.2
584.32086	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
60.54635	0.2
67.05473	0.2
70.65485	0.2
72.55356	0.2
79.05479	0.5
90.96995	0.3
92.02623	1.3
95.04974	1.9
95.43272	0.2
97.61918	0.3
105.04536	1.2
107.04932	0.3
110.20161	0.2
119.08607	0.3
125.06001	2.4
126.61916	0.2
135.04419	100.0
165.50725	0.2
260.01755	0.3
263.07489	0.2
391.08295	0.4
449.08969	0.8
464.05551	0.3
585.13940	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	585.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61530	1.0
82.59174	1.0
86.31078	1.3
92.18583	1.0
94.87832	1.1
98.91311	1.0
101.00874	2.5
118.73793	1.2
119.01947	4.8
119.59049	1.3
120.35253	1.1
145.03491	1.4
156.02774	1.4
157.03450	6.5
166.01151	1.4
181.03455	4.8
183.04988	2.0
184.02182	4.6
185.02939	2.1
187.04538	1.8
199.04541	14.6
201.06107	1.4
211.04440	1.6
217.05550	15.8
219.63132	1.2
227.04013	2.2
235.06613	70.3
253.07664	96.6
271.08823	1.5
281.04877	1.6
285.08170	1.8
301.07663	33.5
303.09256	6.2
311.06070	2.5
319.08823	14.7
321.09973	1.6
329.07150	46.0
347.08209	55.1
355.08981	1.5
365.09186	9.1
373.05908	18.1
391.07104	100.0
409.07516	15.5
409.12723	2.6
411.13486	6.9
567.14417	4.7
585.14886	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15385	0.3
54.27811	0.4
57.73065	0.5
70.95309	0.4
72.63895	0.5
118.06506	2.6
121.92767	0.5
132.08070	2.7
133.05402	0.4
144.08069	6.6
146.06000	35.2
159.09172	5.2
170.05923	1.1
188.07056	100.0
205.09709	32.6
307.73495	0.5
410.87323	0.6
496.59674	0.5
585.20728	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	585.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71491	4.2
55.35501	4.0
79.05485	8.4
81.03413	20.0
91.05476	51.5
92.05795	5.8
93.07028	10.8
95.04947	18.0
105.03393	100.0
105.07052	7.4
107.04976	35.3
107.08617	7.0
108.05321	4.6
109.06513	6.0
109.10130	6.1
119.04950	9.3
119.08559	8.2
121.06444	5.1
121.10117	7.2
123.04402	6.0
123.08090	5.7
133.10138	21.5
137.05931	6.2
145.06517	4.9
147.04387	7.6
147.08057	8.9
149.05997	6.6
149.09605	7.6
155.08533	6.6
157.10141	5.4
159.08060	9.2
161.09641	31.9
163.03923	4.9
163.11150	5.0
165.05551	4.7
166.08659	5.0
169.10176	8.8
171.08005	5.4
177.09184	5.0
178.07869	5.4
180.10042	5.8
181.10103	10.2
183.11763	8.0
185.09634	10.2
187.07458	7.0
192.09383	5.0
193.10130	9.3
195.08112	7.5
195.11705	20.5
197.09743	18.1
199.11168	7.9
203.08644	5.3
206.11011	6.1
209.09622	7.1
209.13309	5.9
209.29181	4.6
210.11285	43.4
211.11418	35.6
218.10878	8.7
220.08913	5.2
223.11055	5.2
225.12741	8.2
233.13286	18.7
235.11070	17.1
237.09270	4.5
237.12672	8.4
239.10619	5.9
246.10571	7.8
249.12701	5.1
251.14359	9.9
253.12173	19.3
261.12820	10.4
264.11673	5.2
267.13712	7.6
277.12286	7.9
279.13818	19.9
281.11768	7.7
295.13327	17.1
297.14694	11.4
307.13287	20.1
325.14130	33.4
343.15344	34.3
345.82870	4.5
385.16473	30.6
403.17493	27.8
447.17886	9.1
507.20468	5.7
518.97961	5.2
525.21198	17.2
585.23438	19.7
585.32318	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29436	0.8
53.03952	2.4
56.12974	0.9
62.82413	0.9
69.03454	1.2
77.03927	1.9
79.66349	1.0
81.07044	0.9
85.02916	1.2
88.54275	1.0
91.05472	4.4
93.07039	7.1
95.04973	9.7
95.08569	1.6
105.03392	100.0
105.04525	5.2
105.07030	5.9
109.06524	7.7
109.10181	1.3
111.08094	8.5
117.07031	1.5
119.04939	1.4
121.06488	5.0
121.10114	4.3
123.04406	2.1
123.08066	6.1
133.06494	14.3
133.10143	1.5
135.08035	10.5
137.06029	1.3
137.09625	8.0
137.10561	1.3
139.07552	4.5
147.08008	1.6
149.05962	4.4
149.09563	4.9
151.07581	2.7
159.06239	1.1
159.08035	2.0
161.05975	4.7
163.07555	2.5
165.09116	5.8
169.10225	1.1
171.11617	1.1
175.07542	1.3
179.07060	1.6
199.11186	1.2
202.75562	1.2
222.10504	1.4
236.11993	1.6
237.12682	2.5
241.12276	1.4
251.14301	4.0
253.12267	2.4
263.52542	1.2
269.15329	1.3
279.13943	2.3
297.14908	4.6
299.12686	1.5
307.13571	1.5
315.15738	1.5
325.14337	9.0
343.15408	14.7
385.16461	2.7
403.17612	21.1
585.21588	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	585.2672
Annotation	kirkinine D
Peak:m/z	Relative Intensity
64.65334	2.0
69.07061	3.7
79.05481	3.5
83.08654	2.4
91.05485	4.7
93.07048	13.9
95.08601	2.9
96.63849	2.3
105.07009	19.8
107.08634	7.7
109.10139	8.9
117.07020	2.4
119.08568	27.4
121.10120	5.4
129.06967	2.6
131.08595	7.4
133.10103	16.7
143.08568	20.2
145.10130	9.3
147.11765	2.7
155.08578	13.9
157.10106	20.7
159.11655	3.0
161.09613	3.1
161.52229	2.4
169.10110	17.9
171.11685	13.2
175.11226	2.3
179.08586	3.8
181.10168	3.0
183.11618	15.2
185.13263	5.1
187.11237	2.7
192.09349	5.0
193.10143	11.8
195.11647	4.0
197.13289	11.0
199.11169	2.4
201.12740	3.5
206.11009	8.9
207.11700	21.1
208.12453	3.2
209.13216	3.4
211.14786	4.5
219.11890	2.8
220.12544	4.3
221.13271	26.8
223.14900	2.9
225.12852	3.6
233.13257	8.7
234.14113	3.4
235.14789	2.9
237.16269	3.3
239.17975	4.0
248.15544	10.8
253.19641	4.5
263.17905	36.6
281.18991	16.9
299.20105	3.3
405.20468	3.2
465.22577	19.4
525.24567	100.0
585.26678	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	585.2672
Annotation	kirkinine D
Peak:m/z	Relative Intensity
51.75279	0.7
55.05511	0.9
66.13974	0.8
67.05502	1.8
69.07073	0.9
69.39149	0.8
77.79965	0.8
78.06821	0.8
79.05486	1.8
81.03444	1.0
81.07049	1.7
83.01089	1.1
87.91265	0.8
91.05488	6.0
92.18467	1.2
93.07031	9.1
95.04975	7.3
95.08598	3.9
105.07039	10.8
107.08564	8.4
109.06499	0.9
117.07019	1.5
119.08573	11.6
121.10124	3.4
125.57307	0.8
129.07010	1.4
131.08560	7.1
133.10123	26.9
135.08044	5.6
135.11703	1.0
141.05223	9.2
141.06946	1.0
142.07825	1.0
143.08519	8.2
145.10124	10.3
147.11699	4.3
155.08553	4.3
157.10130	7.8
159.11656	6.1
161.09642	3.9
163.11113	3.2
164.15987	0.9
169.10104	4.3
171.11670	4.1
173.13298	3.4
175.11121	1.3
179.08575	1.8
181.10127	3.5
183.11687	5.0
185.13309	0.9
192.09395	1.8
193.10106	5.9
194.10994	1.4
195.11716	3.7
197.13242	3.8
204.39139	0.9
206.10777	1.3
207.11655	7.4
208.12579	1.0
209.13213	1.3
220.12469	1.7
221.13176	7.6
223.14948	3.0
233.13235	2.0
234.13940	1.9
235.14828	1.1
237.16380	1.4
239.14246	1.1
248.15588	4.4
263.17993	6.5
281.18927	4.4
322.48358	1.1
347.19913	0.9
363.19257	1.3
405.24353	1.3
508.68536	0.9
525.24158	9.8
585.26392	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	585.2673
Annotation	kirkinine D
Peak:m/z	Relative Intensity
51.39730	0.6
54.71615	0.6
81.07055	1.0
88.29663	0.6
89.31822	0.6
91.05475	1.3
93.07020	3.2
95.08579	1.0
97.06534	1.3
105.07034	1.5
109.06458	1.6
111.08062	0.8
119.08552	5.9
121.06475	1.0
123.08086	1.4
133.10117	4.0
137.09605	1.2
143.08513	1.4
145.06465	2.8
145.10101	2.7
147.08070	6.6
157.10124	1.4
159.11687	3.4
163.07471	0.7
165.09074	5.4
169.10168	0.9
171.11678	1.5
183.11525	0.9
191.06802	1.6
192.72404	0.8
195.38217	0.9
197.13234	1.4
207.11687	2.6
209.13333	0.9
211.11101	1.0
211.14780	1.3
221.13385	0.9
223.14915	1.4
225.12692	1.2
225.16400	0.8
234.14009	0.9
239.17908	4.1
249.16365	1.7
267.17368	5.5
349.17767	9.5
409.19788	6.7
465.22504	1.5
525.24976	5.1
585.26685	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	585.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71910	0.7
55.09462	0.6
65.17664	0.6
65.49432	0.6
121.33323	0.7
132.00288	0.8
133.10153	1.6
145.10135	1.0
154.29443	0.6
222.13873	0.7
223.32294	0.7
498.70459	0.7
506.21350	0.7
513.73785	0.7
584.84912	0.7
585.28223	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	585.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90129	0.4
58.33911	0.5
67.05508	0.5
73.43195	0.4
79.05475	1.1
80.48376	0.5
81.07053	1.1
83.01105	1.2
91.05456	2.0
93.07024	3.9
95.04971	2.1
95.08591	2.6
105.07013	4.1
107.08603	3.7
109.10139	1.8
117.07010	2.6
119.08565	7.7
121.10123	3.3
125.15942	0.5
128.22849	0.5
131.08571	2.0
133.10127	14.3
133.11038	1.0
135.08043	2.4
135.11652	0.6
137.09631	0.9
141.05226	13.4
143.08574	2.7
145.10135	10.4
147.11678	2.9
155.08537	0.8
157.10098	1.2
159.11732	1.1
163.11169	0.7
165.06999	0.6
169.10114	1.1
171.11700	2.3
173.13286	0.8
181.10123	1.1
183.11717	0.7
185.13248	0.9
195.11618	1.1
208.12555	0.6
209.13225	2.7
223.14784	2.1
265.19580	0.9
283.51071	0.5
347.19852	2.4
380.09186	0.5
405.23947	3.0
437.67667	0.5
465.26312	1.0
525.28094	2.3
585.30316	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	585.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61784	0.9
65.90130	0.8
68.12875	0.9
75.45756	0.9
79.05473	2.0
83.01098	1.7
91.05479	3.9
91.28326	1.0
93.07018	4.6
95.04940	2.1
95.08598	2.0
95.61368	1.1
101.93508	1.1
103.59682	1.0
105.07037	4.9
107.08576	6.5
109.10199	1.6
117.07018	2.3
119.08580	12.0
121.10203	1.8
122.21098	0.9
131.08609	3.7
131.74937	0.9
133.10120	23.1
135.08061	3.8
137.54707	0.9
141.05252	8.4
143.08595	2.0
145.10124	13.2
146.98486	1.0
147.11682	4.7
157.10103	2.1
159.11626	2.0
163.11159	1.4
165.63893	1.1
167.08594	1.5
169.10100	1.5
171.11714	1.7
173.13274	1.0
181.10063	1.2
183.11758	1.2
195.11673	2.4
209.13194	3.8
223.14784	4.3
265.19510	1.5
338.44232	1.0
347.19946	1.7
354.62152	1.0
585.30304	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	585.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70471	0.7
53.93005	0.8
55.05495	1.3
57.65684	0.8
66.29733	0.9
67.05482	1.2
69.03416	1.0
69.07022	1.1
71.90905	0.9
79.05452	4.0
79.31882	0.9
81.03348	1.6
81.07004	5.3
83.01069	3.7
91.05495	6.8
92.17797	0.9
93.07040	12.7
95.04910	5.6
95.08528	5.2
105.07059	9.1
107.08594	10.9
108.30121	0.8
109.10098	3.8
112.21215	0.9
114.32960	0.9
117.07003	2.4
119.08588	13.8
121.10036	4.9
123.35050	0.9
129.06985	1.1
131.08559	8.6
133.10136	33.0
135.07928	5.1
135.11662	1.3
137.09535	1.8
141.05232	10.1
143.08549	11.9
145.10124	18.2
147.11592	5.3
155.08434	4.5
156.06790	1.2
156.09250	1.1
157.10110	9.1
159.11584	6.0
161.09479	5.0
163.11090	3.9
166.07629	1.0
166.80252	1.1
167.08435	1.3
169.10123	7.7
171.11639	6.9
173.13101	5.6
179.08424	4.0
181.09985	5.4
183.11560	4.9
185.13152	1.5
192.09311	1.3
193.10020	5.5
194.10767	1.3
195.11501	4.1
197.13144	2.3
206.10742	5.1
207.11635	8.2
208.12398	1.5
209.13101	4.1
220.12331	1.2
221.13298	9.1
223.14705	1.7
224.78630	0.9
233.13115	1.7
234.13895	2.3
248.15404	2.3
263.17712	6.1
265.19339	1.4
281.18866	3.5
321.02072	1.1
405.23654	4.8
525.24261	10.8
585.26971	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	585.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.9
57.06762	4.5
57.07054	5.9
63.66659	4.1
67.05495	49.6
69.07062	29.2
76.52705	4.3
79.05463	5.7
81.07058	77.1
83.08610	22.3
90.04509	5.3
91.05452	5.6
93.07036	19.8
95.08603	100.0
96.53360	4.9
97.06534	6.4
97.10161	19.1
105.07040	4.5
107.08614	10.9
109.06495	5.7
109.10149	47.5
121.10134	27.6
123.11705	28.3
125.09616	4.6
133.10190	10.3
135.11678	28.4
145.10229	5.1
147.11653	9.2
149.13231	6.9
159.11647	6.5
161.13254	6.9
261.22202	20.9
279.23160	57.1
297.24271	69.0
301.08432	4.4
315.25235	37.6
316.10526	4.7
350.22656	4.8
520.26001	4.5
567.46063	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67245	5.4
57.62324	4.7
65.82516	5.4
69.07056	21.2
79.05484	8.7
81.07053	14.2
83.04944	6.7
91.05476	70.5
93.07027	10.6
95.04961	9.6
95.08597	23.2
97.06507	25.0
105.07059	50.1
107.04963	29.5
107.08591	39.6
109.06495	24.7
110.10109	5.7
117.06990	11.2
119.04938	23.0
119.08596	40.3
120.12126	5.9
121.06483	36.5
121.10128	8.1
123.04427	7.2
123.08061	25.4
129.06973	7.1
131.08568	37.3
133.06491	22.2
133.10094	32.1
134.09616	26.1
135.08044	32.6
135.11690	5.9
137.09673	13.7
143.08530	29.5
145.06487	11.8
145.10139	24.8
147.08044	27.8
149.06006	10.9
149.09595	13.2
151.07495	7.2
155.08553	29.9
157.10143	36.0
159.08054	32.6
159.11650	13.7
161.05911	6.2
161.09637	24.2
165.07051	8.2
167.08577	13.5
168.09311	6.2
169.10135	50.0
171.08171	18.6
171.11734	12.5
171.20961	5.8
173.09674	13.6
175.07513	9.7
177.09096	11.5
179.08728	9.0
180.09378	9.1
181.10147	30.3
183.11609	44.6
185.09566	22.7
185.13240	29.0
187.07527	8.6
187.11180	13.8
189.09105	7.5
193.10098	26.5
194.11740	9.3
195.11659	47.5
197.09593	27.3
197.13257	27.4
198.10562	5.7
199.07549	7.6
199.11172	28.2
201.12776	9.3
203.10638	6.1
207.11641	29.9
208.12611	7.0
209.09644	29.1
209.13260	12.9
210.11320	85.5
211.11183	50.8
213.12796	28.4
215.14246	7.6
221.13234	10.0
223.11200	31.0
223.14847	27.2
225.12642	44.7
227.10733	11.8
227.14244	12.2
232.12579	8.5
235.11169	22.3
239.14278	13.7
241.12173	19.8
241.16019	8.5
247.14835	12.0
249.12764	7.0
251.14282	26.6
253.12192	33.6
253.16060	6.9
255.17430	11.7
257.15402	7.1
265.15860	48.6
269.15320	12.4
271.13275	25.3
275.14294	8.0
281.15494	13.3
282.04889	6.3
283.16965	31.1
293.15219	46.2
311.16345	100.0
313.14413	8.9
322.83102	5.9
329.17520	34.9
331.15448	50.4
353.17493	14.2
371.18640	61.2
389.19464	11.5
413.19604	9.8
431.20557	25.4
432.31833	6.5
449.21707	11.2
491.22748	94.1
507.87878	5.8
586.34015	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.286
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99042	4.6
66.68349	5.0
68.27827	5.2
69.03435	10.5
75.71259	5.1
81.03389	5.1
81.07085	10.0
83.05003	8.1
91.05495	26.8
93.07031	33.1
95.04971	10.2
95.08587	13.3
97.06507	23.4
105.07054	38.9
107.08583	9.8
109.06516	5.2
119.08568	11.4
121.06484	22.3
121.10095	7.2
123.08099	20.0
124.99982	4.9
131.08583	11.6
133.06480	24.8
133.10129	11.0
135.08055	6.4
141.06999	6.2
143.08511	27.4
145.06485	7.6
145.10124	23.4
146.07285	6.3
147.08061	12.3
149.05956	10.0
151.07536	7.1
154.80220	6.3
155.08531	28.6
157.10126	29.0
159.08060	27.7
159.11656	7.9
161.09628	30.6
165.06946	9.1
167.08470	7.9
169.10146	41.1
170.75154	5.1
171.08061	8.6
171.11671	13.0
173.09639	41.4
175.11226	5.5
177.09094	5.2
179.08592	11.9
181.10103	54.6
182.10915	6.5
183.08055	9.6
183.11717	40.3
185.09599	20.8
185.13269	7.5
192.09508	6.9
192.18889	5.2
193.10121	22.3
195.08125	5.7
195.10149	5.8
195.11659	40.8
197.09642	12.7
197.13237	42.9
199.11154	83.8
201.09169	6.7
207.11714	52.6
208.12483	5.5
209.09683	30.9
210.10524	9.2
211.11200	49.6
211.14777	12.3
213.09128	10.0
213.12732	24.8
215.10645	6.8
221.13240	10.7
222.13918	6.7
223.11169	33.3
223.14844	20.6
225.09236	8.3
225.12741	78.0
227.10568	63.1
229.12329	6.6
232.12524	8.7
235.11119	24.5
235.14801	7.9
236.11804	8.2
237.12793	11.5
237.16406	6.8
239.14313	11.6
241.12157	9.6
243.13860	6.3
247.14838	7.6
250.13445	7.9
251.14301	9.3
253.12228	95.2
253.14786	7.2
253.15875	7.5
255.17253	8.6
257.15408	6.9
260.11932	6.3
265.15854	37.6
267.13550	5.8
269.15295	6.8
271.13281	83.7
275.14252	8.1
281.15393	8.4
283.16763	12.6
293.15256	41.9
311.16428	81.1
313.14337	10.9
329.17471	57.3
331.15463	100.0
353.17245	7.2
371.18442	47.3
389.19342	9.0
391.17355	7.2
429.52383	6.0
431.20584	31.6
449.21686	11.8
491.22586	27.5
551.23755	6.8
569.26239	8.2
586.33398	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	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23336	1.4
68.14301	1.7
81.03372	2.2
92.48097	1.6
93.07015	2.0
99.64179	1.8
105.07045	3.7
107.04907	2.1
121.06452	2.6
132.87254	1.9
133.06465	7.2
145.06497	3.1
155.08578	4.2
163.18694	1.8
167.08649	3.0
167.76927	1.7
169.10123	3.1
171.08052	2.8
172.86809	1.7
173.09616	4.0
177.09042	1.9
179.08539	2.5
181.10068	3.4
183.11787	2.2
185.09595	2.6
193.10182	3.0
195.11708	10.9
197.09615	9.9
197.13292	6.8
199.11212	11.6
200.62260	1.9
205.91156	2.1
207.11755	7.4
209.09659	4.3
209.29143	1.7
210.10381	3.0
211.11191	19.2
213.12799	3.0
223.11163	16.8
225.09138	2.4
225.12805	19.7
227.10675	8.9
235.11174	3.2
239.14110	1.8
241.12222	9.1
243.05811	1.8
247.14893	2.1
249.12535	2.0
251.14272	2.6
253.12187	15.0
260.12045	1.9
265.15930	8.0
271.13202	3.3
272.43802	1.7
281.15527	3.3
283.16855	3.1
293.15338	9.4
311.16486	10.9
329.17422	3.3
347.09177	2.3
353.17581	3.8
371.18817	3.0
373.16455	100.0
431.20767	2.9
465.01556	1.6
491.23029	16.1
533.23956	3.6
551.09601	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	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08229	1.6
73.43065	1.5
83.05003	1.8
91.05469	2.7
92.18434	3.9
93.07033	3.8
93.60976	1.9
95.04947	2.7
95.08612	2.7
105.07050	3.8
107.08607	2.5
119.08563	3.5
121.06516	4.0
123.08031	2.7
130.31799	1.8
131.08559	4.3
133.06500	4.4
133.10124	2.9
137.09473	2.2
143.08566	9.1
145.06471	4.2
147.08026	4.2
149.05936	2.3
149.09625	2.0
155.08531	4.2
157.10069	3.1
159.08022	7.9
161.09602	8.4
167.08574	2.7
169.10098	7.9
171.08031	3.6
171.11636	3.4
173.09563	7.6
177.09122	3.8
179.08585	3.0
181.10152	12.2
183.08066	2.6
183.11710	7.5
185.09619	9.4
187.11208	2.1
192.09230	2.5
193.10136	3.9
195.11618	14.3
197.09654	8.7
197.13275	8.8
199.11217	18.2
199.50958	1.9
205.10170	2.2
207.11722	16.5
208.12430	2.1
209.09610	9.1
210.10437	8.5
211.11148	15.7
213.09026	3.2
213.12721	9.0
221.13211	2.7
222.14226	1.9
223.11145	12.2
223.14790	3.8
224.11963	2.0
225.12718	20.6
227.10657	11.0
232.12433	2.9
235.11121	8.1
235.14767	2.4
237.12669	2.4
237.16562	2.0
239.10661	3.5
239.14207	3.1
241.12273	11.4
243.13802	2.2
247.14838	2.3
249.12788	3.0
251.14362	2.7
253.12195	15.3
253.15852	2.2
263.14294	2.3
265.15829	3.9
271.13293	9.8
281.15164	3.3
283.12930	2.3
283.16840	3.2
293.15305	7.8
299.16382	3.4
311.16437	14.1
313.14526	2.3
329.17578	7.9
331.15356	100.0
355.15408	2.6
371.18530	8.0
373.16574	3.9
389.19724	2.0
449.21573	33.5
491.22787	12.0
586.28534	8.1
601.33936	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	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59848	1.4
59.23471	1.4
59.65938	1.4
69.03431	2.9
79.05450	1.8
79.15160	1.7
91.05472	13.9
93.07031	2.9
95.04942	2.3
99.04465	1.9
105.07031	9.9
109.06538	3.0
119.08585	2.3
121.06519	8.8
123.08092	2.8
131.08588	4.1
133.06479	10.7
133.10144	2.2
135.08060	8.5
143.08588	7.4
147.08090	3.2
151.07570	7.2
155.08578	2.3
157.10068	2.8
159.08032	10.4
161.09634	16.5
161.10791	1.8
169.10094	7.3
171.08067	10.8
173.05960	2.6
173.09499	5.7
177.09120	3.6
179.08588	2.9
181.10112	12.3
183.08072	2.0
183.11707	3.8
185.09644	4.2
187.11313	3.1
191.10770	2.0
193.10226	3.1
194.07271	1.9
195.11720	8.8
197.09587	30.5
197.13245	4.4
198.10402	11.1
199.11180	96.9
207.11723	10.3
209.09610	11.5
209.13225	2.2
210.11198	9.0
211.11174	87.9
213.12839	2.6
221.13309	3.2
223.11168	18.9
223.14745	7.6
225.12755	48.5
227.10657	77.7
232.12389	2.3
235.11179	7.6
237.12674	3.1
237.16626	2.5
239.14307	3.9
241.12247	9.4
247.14767	2.5
251.14308	6.8
253.12180	27.2
253.15910	2.2
260.11856	2.8
263.14240	8.1
265.15808	16.3
271.13202	13.1
275.14142	3.3
281.15314	4.3
283.16916	3.9
293.15305	13.1
311.16306	14.5
313.14334	100.0
329.17459	3.9
353.17682	6.4
371.18607	7.9
373.16434	72.3
384.15244	1.9
390.26315	1.8
431.20566	7.4
449.48715	1.8
473.21567	13.2
586.33630	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	586.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07056	3.0
84.17229	0.7
91.05478	69.8
92.17888	1.6
93.07043	1.6
95.08645	5.7
100.17904	0.8
103.05477	3.2
105.06996	1.8
107.08612	7.5
117.06970	0.9
119.04942	13.2
119.08584	3.2
121.06474	1.0
121.10124	1.9
123.08099	3.9
123.11727	1.7
133.10103	1.4
134.09642	13.5
143.08566	1.1
145.10085	2.9
155.08517	1.0
157.10158	1.3
159.11646	1.2
161.09581	1.0
170.45558	0.8
195.11833	1.0
197.09602	1.0
199.11194	6.5
209.13277	1.4
210.11244	100.0
211.11205	5.6
225.12666	2.5
227.10666	4.4
233.06705	0.8
237.16489	0.9
253.12273	1.2
261.36670	0.9
271.13519	0.9
313.14426	6.8
373.16537	1.6
400.71411	0.9
586.33728	33.4
601.28339	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	586.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06960	0.7
67.18945	0.7
69.03407	1.0
69.07031	0.8
81.07057	1.3
90.76671	0.8
91.05476	64.0
92.17872	1.0
93.07022	3.2
95.08593	4.7
103.05459	1.7
105.07027	3.2
107.04928	1.3
107.08606	5.4
109.10127	1.2
119.04926	10.6
119.08556	3.5
121.10122	3.0
123.08038	5.5
132.39569	0.8
133.10123	3.0
134.09644	13.3
135.08064	0.7
143.08568	0.8
145.10107	3.5
147.08026	0.9
149.09561	1.0
151.11163	1.5
157.10075	1.0
159.11691	1.3
164.97615	0.8
169.10088	0.9
173.13271	0.8
185.13329	1.0
194.11800	1.0
195.11784	1.4
197.13229	1.6
199.11122	3.0
210.11230	100.0
225.12810	1.1
227.10674	1.5
228.85210	0.8
251.17868	0.8
253.19606	0.8
281.19110	1.0
293.75940	0.8
299.19949	1.1
313.14288	3.9
318.86841	0.8
334.70013	0.8
366.72412	0.8
373.16241	1.3
507.92441	0.8
586.33691	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	586.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24627	0.7
52.46658	0.8
62.90466	0.8
71.31087	0.9
72.10973	0.7
73.42183	0.8
76.50281	0.7
76.85612	0.7
81.07065	1.9
91.05474	69.9
93.07013	1.9
95.08601	5.7
103.05472	1.4
105.07039	2.0
107.08584	6.4
109.06489	1.0
109.10141	1.7
119.04921	16.2
119.08546	3.8
121.10117	3.5
123.08018	4.5
123.11684	1.6
131.08534	1.9
133.10133	4.0
134.09641	13.2
145.10109	1.6
149.09613	1.4
154.02112	1.0
157.10138	1.1
159.11606	1.4
161.09570	1.1
165.12706	0.9
183.11697	1.1
210.11235	100.0
269.19034	1.3
281.19016	0.9
586.33722	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21230	0.8
61.08918	0.9
69.07063	1.0
79.05475	1.9
81.07060	5.9
91.05473	70.1
92.17839	1.1
92.42424	1.2
93.07050	5.6
95.08622	2.3
97.06621	1.0
103.05465	1.4
105.07054	6.0
107.04958	16.5
107.08610	5.3
109.05818	1.2
109.06506	4.0
109.10175	2.3
112.16508	0.9
113.60838	1.0
119.04935	11.3
119.08593	5.4
121.10159	5.3
123.08028	1.6
127.68642	1.1
131.08556	2.5
133.10150	4.2
134.09651	16.0
135.08052	1.5
135.11702	2.4
143.08551	2.1
145.10168	2.3
147.11658	1.2
149.05984	2.3
149.09674	1.1
155.08585	1.8
157.10146	2.4
159.11766	1.3
165.12733	1.7
169.10182	4.6
171.11765	2.2
181.10222	1.2
182.10991	1.0
183.11731	1.5
185.09737	1.1
185.13336	2.0
194.11771	15.6
195.11871	2.3
197.13353	5.8
209.13347	1.2
210.11230	100.0
243.17551	1.2
255.17526	1.1
273.18317	7.4
299.20172	1.8
317.21240	1.1
332.42871	1.0
586.33905	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64318	0.6
67.05494	0.8
77.41954	0.8
81.07061	1.3
84.92339	0.6
91.05479	68.5
93.07038	3.0
95.08610	6.8
103.05463	1.3
104.46826	0.7
105.07037	1.2
107.08594	7.3
109.06592	0.9
109.10165	1.4
114.51746	0.8
118.39156	0.9
119.04954	14.9
119.08566	4.7
121.06476	1.3
121.10109	1.5
123.08037	4.7
123.11703	1.3
131.08577	0.8
133.10121	3.4
134.09633	16.4
135.11655	1.2
145.10112	1.4
147.11684	1.6
149.09460	0.8
157.10178	2.7
159.11691	1.5
169.10080	1.7
171.11644	1.4
183.11736	1.2
192.88510	0.7
195.11575	1.1
197.13147	1.0
207.11745	1.0
209.13249	1.7
210.11247	100.0
211.11574	1.1
211.14819	1.1
213.12823	0.9
223.14876	1.1
225.12543	0.7
230.83455	0.7
257.15720	0.8
262.71100	0.8
269.19061	1.4
299.41138	0.8
388.54883	0.9
578.25543	0.9
586.33783	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12305	0.7
79.05477	1.3
81.07060	1.9
83.05011	0.8
89.46950	0.8
90.50487	0.8
91.05467	1.9
93.07050	1.9
100.58643	0.9
105.07024	1.0
107.08591	1.6
121.06487	1.7
121.10149	0.9
123.04406	1.8
133.06413	2.8
133.10075	1.0
137.02139	1.5
137.05998	0.9
139.03935	1.1
141.64294	0.8
145.10191	1.2
147.08008	1.0
149.05983	0.8
151.03896	4.7
157.10051	1.1
161.09596	0.9
165.05547	1.3
169.10078	1.2
189.05540	1.1
193.08653	3.4
195.11728	1.4
197.13216	1.5
198.09969	1.1
199.11227	0.8
207.11728	1.5
208.12151	0.8
209.13112	1.2
211.11179	2.0
217.08614	3.2
217.24174	0.8
225.12579	2.9
226.13097	1.0
233.07333	0.7
236.08528	0.9
241.04785	0.9
253.12213	3.5
254.12671	0.8
258.04996	1.4
265.15775	1.8
266.16110	0.9
272.13431	0.9
273.14944	10.1
294.15530	1.2
301.06882	6.2
311.16245	1.1
312.16727	1.6
330.17804	1.2
332.15863	3.5
351.25488	0.9
372.18991	1.7
373.16571	0.9
386.34546	0.8
405.18726	1.5
425.19632	1.6
431.12939	1.9
432.21194	1.0
465.20932	3.7
475.17554	1.9
587.24609	100.0
598.41351	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	587.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98978	0.6
54.57779	0.6
55.11854	0.7
56.98104	0.7
79.17719	0.8
84.99699	0.7
85.90592	0.8
91.20661	0.8
94.00241	0.8
104.75771	0.8
106.79917	0.7
107.04935	0.8
116.34389	0.7
143.08685	0.8
146.51808	0.7
197.04213	4.9
214.61699	0.7
224.60817	0.8
231.09879	1.0
239.08905	1.8
297.09406	1.2
329.13553	1.0
343.14798	0.8
364.52740	0.8
371.14606	4.1
389.15524	3.1
407.16772	5.2
447.20044	3.6
465.21027	11.7
587.24603	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	587.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64487	0.9
59.21189	0.8
87.93911	1.1
101.96841	0.9
105.10618	0.9
105.45638	0.9
107.04906	1.2
107.08543	1.2
122.72842	1.1
137.02254	1.3
171.67799	1.1
197.04179	2.1
205.28935	1.0
205.89368	1.0
231.09944	9.2
240.18591	1.0
245.51360	1.1
273.15192	1.3
277.48099	1.0
291.30588	1.2
315.12219	1.2
371.14661	6.7
389.15527	1.5
405.18588	1.1
407.16736	1.8
447.20142	4.0
465.20880	13.5
572.14716	1.1
587.24652	100.0
609.32251	1.2
613.38568	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	587.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36985	3.5
64.89257	3.3
79.05491	9.1
81.07053	7.1
83.04974	6.8
91.05475	24.2
93.07045	100.0
95.04961	15.8
95.08595	9.1
103.05471	5.2
105.03398	15.5
105.07038	67.8
107.08578	16.6
109.06543	35.2
119.04946	7.3
119.08585	14.6
121.06506	59.4
121.10127	20.6
123.04413	6.4
123.08035	6.5
123.11725	4.5
129.06996	5.9
131.08554	6.6
133.06514	50.0
133.10135	85.1
135.04480	4.7
135.08057	4.4
137.05997	6.0
142.01961	3.3
143.08594	14.9
145.06451	8.2
145.10143	6.2
147.04443	9.0
149.05974	40.6
149.09584	27.3
151.07481	6.7
151.11278	3.6
155.08633	3.9
157.10130	7.2
159.08058	29.7
161.09619	59.5
163.03806	5.6
165.05490	4.8
167.07040	7.4
169.10147	6.3
173.09587	4.4
177.05452	5.8
177.09084	14.6
179.08566	3.6
179.10626	8.2
183.11597	7.0
187.11177	8.3
189.09129	4.5
193.10144	16.0
195.06479	16.7
195.11691	7.6
197.09628	7.5
207.11787	5.6
209.09489	5.1
209.13260	4.9
211.11305	5.9
213.12819	5.0
215.10652	4.4
220.12520	8.3
221.13402	4.0
222.10339	3.9
223.11301	6.8
225.12785	4.7
235.14754	8.1
237.12816	5.5
239.14323	5.1
241.12180	7.6
243.10188	5.9
249.03300	4.4
253.15913	7.8
263.14377	8.4
265.12201	4.1
281.15329	14.4
291.13809	9.0
299.16388	7.2
309.14865	26.1
327.15958	58.2
345.17072	37.7
387.18045	56.6
408.17996	3.7
580.27258	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	587.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18755	2.3
53.03938	2.9
54.10295	2.2
56.69382	2.2
63.64875	2.3
67.05489	3.9
77.03928	5.9
77.06871	2.7
79.05490	6.8
81.07030	4.0
81.76642	2.7
83.08555	3.0
85.02872	3.5
85.19071	2.8
91.05495	3.8
92.17776	4.8
93.07037	18.8
95.04961	21.9
95.08575	6.9
97.06565	3.1
105.03397	100.0
105.04462	4.7
105.07016	27.6
107.08571	5.5
109.06504	13.2
109.10120	3.1
111.08072	5.7
119.04934	3.6
119.08559	6.3
120.85135	2.7
121.06496	16.6
121.10110	5.7
123.04446	5.9
123.08069	17.3
125.06014	3.1
131.08562	6.9
133.06503	52.1
133.07483	4.5
133.10123	19.0
135.08028	3.8
137.05927	5.1
137.09633	4.5
143.08591	4.4
145.06416	3.0
147.08040	4.4
149.05969	6.4
149.09624	11.6
151.07573	5.8
151.11217	3.6
155.08513	4.8
157.10117	4.3
159.08083	18.1
161.09601	17.8
163.07529	3.1
169.10103	5.6
171.08075	3.6
171.11716	4.4
177.09138	4.8
179.10663	13.2
183.08096	3.1
187.07654	4.5
187.11145	3.5
195.06491	3.8
197.09584	3.3
201.08945	3.2
207.10168	10.3
207.11850	4.5
209.09599	3.2
210.14163	2.8
211.11340	5.3
211.14743	4.6
215.10699	3.6
223.11131	4.2
225.09129	3.2
235.14949	3.6
237.12634	3.2
239.10866	3.9
239.14334	5.5
241.12244	3.8
248.12164	3.8
263.14261	5.3
281.15356	11.2
291.13748	4.7
299.16574	5.7
309.14807	18.8
327.15811	37.3
345.17026	26.3
387.17911	4.0
405.19302	21.0
434.98956	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	587.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72172	1.5
54.64892	1.5
56.03382	1.9
60.25521	1.7
62.75660	1.7
70.09023	2.0
119.00974	1.8
119.08623	3.2
133.10205	2.9
134.10475	2.3
141.05176	2.4
142.05490	1.9
145.10158	3.8
150.51003	1.9
156.94489	1.8
389.26175	2.0
468.63950	1.9
587.24945	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	587.262
Annotation	Unknow
Peak:m/z	Relative Intensity
72.39750	1.0
75.53929	1.0
105.07022	1.2
124.49609	1.0
133.10147	1.7
135.08044	1.3
144.51726	1.0
190.64919	0.9
221.74963	1.0
245.36938	1.2
390.81845	1.1
587.26172	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	587.2825
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
51.70505	0.6
52.19616	0.6
55.01872	0.8
57.08587	0.7
79.94702	0.7
83.99544	0.8
91.05467	1.4
93.07027	4.4
105.07014	0.9
109.06565	1.1
111.08047	1.0
119.08587	7.3
121.06563	0.8
121.10114	1.1
123.08068	2.8
129.07034	1.1
133.10146	5.0
141.05191	1.2
143.08540	1.6
145.10054	0.7
147.08040	8.5
147.11768	1.3
151.54095	0.9
157.10101	1.3
159.11681	3.9
161.09669	0.8
163.07526	1.0
165.09106	4.3
171.11691	3.6
183.11705	1.8
191.06950	1.0
197.13289	1.4
207.11687	1.6
211.14827	1.5
223.14784	1.4
225.12756	0.9
234.14067	0.9
239.14272	0.9
239.17940	3.4
249.16479	3.5
267.17371	5.9
285.18448	1.2
349.17764	8.0
367.18796	1.1
409.19974	5.9
467.23816	6.5
490.19073	1.0
527.26221	6.6
587.28253	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	587.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60226	0.5
55.04374	0.6
59.42368	0.6
63.52756	0.7
67.05486	0.8
69.49117	0.6
72.90792	0.7
73.28133	0.7
79.05505	1.0
81.07035	0.9
83.01090	1.4
84.80486	0.6
91.05481	1.4
93.07030	4.3
95.04955	2.5
95.08621	1.2
105.07011	3.1
107.08602	4.0
109.10168	1.0
117.06993	1.0
119.08595	7.6
121.10147	1.3
129.07039	0.9
131.08614	0.8
133.10141	15.7
135.08083	2.8
143.03169	16.5
143.08563	1.3
145.10115	9.1
147.11670	3.5
157.10075	1.0
159.11662	1.2
163.11189	1.3
169.10080	1.0
171.11685	2.9
183.11722	1.5
194.11140	0.8
195.11665	1.6
195.79919	0.7
206.07684	0.7
209.13277	3.3
211.14961	0.7
223.14862	2.8
265.19482	1.0
300.25665	0.7
310.51971	0.7
347.19781	3.2
407.21994	1.2
467.23645	0.9
489.00174	0.7
527.25732	1.5
587.28247	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	588.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
72.65386	0.6
80.05032	1.0
88.49745	0.5
91.05475	0.8
95.04960	0.6
96.04486	1.0
97.21099	0.6
103.97289	0.5
107.04981	1.1
107.10943	0.6
112.90874	0.5
115.09369	0.6
119.04980	0.6
121.06500	0.5
122.03651	1.1
124.03953	100.0
131.05037	0.5
133.02864	2.8
137.05981	62.9
145.02861	0.7
147.04425	2.0
149.06042	1.0
151.07527	0.8
159.08076	0.7
161.05869	0.6
162.06796	0.7
165.05461	0.7
166.76595	0.5
167.06990	0.9
175.07526	1.1
177.05492	3.5
179.07053	2.1
180.07445	0.9
199.07477	2.2
211.07608	0.7
233.08022	0.8
257.08121	3.6
267.19568	0.6
277.08575	0.9
287.09134	2.8
291.10141	0.7
323.09091	1.2
335.09171	3.3
367.11844	4.6
381.13394	3.9
387.18011	0.6
393.13452	1.2
411.14233	2.6
505.18127	0.7
517.18591	1.2
588.24548	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	588.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85225	2.0
60.06877	1.8
69.07065	2.2
79.05512	2.5
79.72829	2.1
81.07069	3.3
92.17912	3.6
105.07044	11.7
107.08576	4.1
109.06506	3.6
109.26799	2.5
117.07099	2.3
119.08620	3.2
123.08102	3.6
133.06564	2.6
133.10002	2.4
135.08044	9.2
143.08649	4.2
145.06476	4.2
147.08043	3.8
151.07454	3.2
156.89090	2.3
159.08049	10.2
161.09633	9.3
169.10147	4.9
173.09596	2.9
179.08505	3.7
181.10109	11.3
183.11720	4.8
185.09665	11.2
187.11209	3.0
193.10129	8.6
195.11707	13.5
197.09572	4.1
197.13275	9.6
199.11156	9.9
207.11731	8.8
209.09590	3.0
209.13208	15.2
211.11189	14.7
213.09065	3.4
219.11618	4.4
221.09912	2.5
222.10353	4.9
223.11163	3.7
225.12744	25.7
227.14334	9.4
234.14050	2.6
235.11121	2.9
237.12726	24.8
237.16348	3.6
239.10602	3.3
249.16379	9.1
253.12291	4.3
253.15881	4.3
255.13806	26.9
265.15842	2.7
267.17499	9.9
273.14801	3.5
277.15927	4.7
283.16885	5.5
285.18433	3.1
295.16833	25.2
313.17963	9.6
315.15826	3.5
340.76086	2.3
355.19064	13.3
373.19974	4.6
375.13232	3.5
375.17999	100.0
415.21112	13.8
433.22308	9.6
475.23135	10.2
535.25330	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	588.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26900	1.0
57.07079	1.3
58.91541	1.2
81.27158	1.2
91.05479	64.4
93.07021	2.0
95.08608	2.8
105.07039	1.7
107.08578	4.6
109.10163	2.5
119.04938	16.4
119.08575	2.8
121.06488	1.5
121.10115	2.1
128.24147	1.3
129.89828	1.3
133.10118	1.9
134.09648	14.4
137.05968	2.6
145.10147	2.1
147.11629	2.0
157.10101	3.0
159.11664	1.8
179.12022	1.3
183.11752	1.7
185.13225	1.4
194.11656	1.9
197.13257	2.2
206.45201	1.3
210.11244	100.0
211.11624	2.3
231.04454	1.5
241.37346	1.2
308.70630	1.2
588.26538	1.2
588.35333	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88162	0.7
60.71858	0.7
65.80604	0.7
67.05512	0.8
69.45049	0.7
71.97462	0.7
79.05476	1.2
81.07023	1.4
91.05479	66.3
93.07026	4.6
95.08604	1.6
103.05485	1.5
105.07040	4.2
107.04949	0.9
107.08595	4.1
109.10165	1.9
119.04929	13.4
119.08584	4.8
121.10142	4.5
123.11759	1.2
129.45338	0.8
131.08542	1.2
133.10121	4.1
134.09653	13.2
135.11679	3.0
137.05931	1.0
143.08553	1.3
145.10162	1.4
155.08421	0.8
157.10120	1.8
159.11755	3.2
165.12798	1.0
169.10155	1.9
171.11783	2.7
175.11253	0.8
183.11731	1.6
195.11861	1.0
197.13264	3.4
208.29910	0.8
209.13138	1.6
210.11250	100.0
211.14813	1.2
215.18272	1.0
223.14781	1.0
256.84225	0.9
283.20410	1.2
286.56708	0.8
301.21194	1.3
356.04788	0.8
372.31375	0.9
375.18127	1.0
570.34302	1.6
588.26166	1.5
588.35272	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02047	0.9
54.15792	0.8
77.55169	0.7
77.55680	0.7
79.05481	1.0
81.07072	1.2
91.05480	69.3
93.07019	4.0
95.08616	3.2
103.05466	1.8
105.07017	3.7
107.04970	1.2
107.08598	4.2
109.10146	3.4
115.12419	0.8
119.04932	13.3
119.08582	4.9
120.57128	0.9
121.10178	5.8
123.07961	0.9
123.11700	1.3
131.08530	1.8
133.10129	2.0
134.09663	14.4
135.11685	3.6
137.05937	1.0
137.09598	1.0
137.13211	0.9
145.10046	1.0
147.08060	1.0
147.11678	2.0
155.08614	0.9
157.10112	1.8
165.05423	1.0
165.09059	1.0
169.10129	1.8
171.11649	1.6
173.13290	1.1
183.11729	1.7
185.13289	2.0
193.10007	0.9
210.11247	100.0
225.16426	0.8
236.64616	0.8
253.19438	1.1
265.19421	1.2
283.20602	1.9
439.47049	0.9
484.26678	1.1
588.35388	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43480	0.6
55.05510	0.6
69.07059	1.0
75.13085	0.7
81.07051	2.9
91.05476	59.9
93.07013	1.5
94.76414	0.8
95.08590	1.2
103.05487	1.5
103.66911	0.7
105.07022	3.5
107.08592	6.4
109.06506	0.7
109.10172	3.2
117.06951	0.7
119.04939	12.2
119.08562	3.2
121.10130	5.0
131.08566	1.3
132.83562	0.7
133.10083	5.0
134.09644	12.0
135.11728	1.7
137.09647	1.0
143.08533	1.0
145.10088	2.8
147.11673	1.3
155.08557	1.0
157.10133	3.7
159.11699	1.5
165.12764	0.7
169.10152	2.9
171.11656	3.1
173.13176	1.1
181.10080	1.5
184.12373	0.9
185.13263	3.1
197.13232	2.9
199.14752	0.9
209.13226	0.8
210.11240	100.0
211.11443	0.8
211.14810	1.5
213.16086	1.0
253.19566	1.3
271.20627	1.3
301.21634	1.3
374.45581	0.8
512.25586	0.9
515.58789	0.8
588.26941	1.1
588.35266	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32476	0.2
52.97475	0.3
53.79817	0.2
54.11013	0.2
79.58266	0.3
83.95919	0.3
84.22272	0.3
89.38770	0.3
93.07020	0.7
105.07043	0.5
119.08575	0.5
133.10143	0.7
135.08029	1.4
149.66786	0.5
156.75475	0.3
161.09613	0.3
164.06825	0.4
190.20103	0.3
265.19421	0.6
334.24753	3.5
344.23145	0.4
361.25632	0.7
362.24097	0.4
379.26843	0.7
395.54947	0.4
447.33054	8.4
457.31732	0.4
474.34094	1.8
560.41418	11.4
588.40955	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	589.1339
Annotation	Kolaflavanone
Peak:m/z	Relative Intensity
54.73809	0.5
61.61948	0.6
91.05484	0.7
95.04959	2.3
107.04947	36.6
108.66011	0.5
111.04476	0.5
119.04940	16.7
120.80898	0.5
121.02857	3.0
123.04427	3.9
127.03870	1.0
133.06491	1.0
137.02327	4.8
139.03894	7.0
145.06432	2.1
147.04416	10.7
149.02347	3.8
151.03937	4.6
157.06439	0.7
161.05972	2.3
167.03372	7.0
171.04396	2.9
179.03410	0.7
185.05962	1.3
189.05467	1.3
203.07158	0.7
213.05424	0.7
215.06929	0.7
221.25528	0.6
227.06987	2.1
231.06480	17.9
236.90573	0.5
255.06465	1.0
271.06021	2.2
273.07785	1.1
285.03925	8.8
299.05453	10.2
303.04971	5.9
315.04990	18.7
316.05765	0.8
317.06528	55.0
329.06473	7.0
355.08322	0.8
357.06064	2.3
359.07736	5.2
369.06171	1.4
406.17084	0.7
411.06870	0.9
421.04944	8.4
453.08115	8.0
458.87738	0.7
465.08383	0.8
589.13373	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	589.2258
Annotation	2,3-di-O-Acetylanthothecanolide
Peak:m/z	Relative Intensity
54.48183	0.7
55.11632	0.6
71.01508	0.6
72.89893	0.6
80.21808	0.7
91.05456	1.1
93.07014	0.8
95.04963	1.3
95.08609	0.8
96.37786	0.7
105.03385	12.8
105.07006	1.6
107.04974	0.9
107.08608	1.5
119.08561	1.1
121.06486	0.7
123.08042	1.1
133.06584	1.2
143.08591	1.3
157.10172	0.8
159.08015	1.1
167.08696	0.7
173.09615	0.9
183.11810	0.9
187.11147	1.0
197.13303	1.0
199.11211	1.3
210.10403	1.0
211.11189	0.8
221.13223	0.7
223.11212	2.5
225.12656	1.4
239.14412	0.9
241.12492	0.7
265.15836	2.5
270.28882	0.8
271.13239	0.8
293.15332	1.0
311.16492	2.7
329.17233	0.7
331.15610	7.0
349.14230	0.9
409.16351	1.7
469.18402	4.4
480.22375	0.7
529.20367	7.7
589.22491	100.0
591.64691	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	589.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10034	0.8
58.22901	0.7
114.12943	0.7
124.37904	0.9
158.58614	0.9
197.09697	1.8
209.09576	1.2
210.10188	1.2
211.07494	6.4
211.14806	1.4
221.13194	1.1
223.11205	1.4
223.98985	0.8
224.08365	1.6
224.11977	6.5
225.09108	5.5
225.12779	1.6
233.63757	0.9
235.07693	1.1
237.09203	1.0
238.13486	3.2
239.14279	16.1
244.34059	0.9
249.12796	3.2
251.10701	1.8
252.07735	2.0
252.11411	11.3
253.08568	4.9
253.12245	4.8
265.08759	0.9
266.13065	5.1
267.13785	32.1
277.12256	3.3
280.07568	1.2
280.10989	1.1
281.08191	1.5
281.11795	3.4
295.13272	42.7
323.12683	9.8
589.25836	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	589.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69306	0.4
59.31168	0.5
81.40849	0.5
81.60476	0.4
91.15849	0.4
145.06487	2.5
183.07906	0.5
185.09599	0.6
197.09648	2.1
209.09685	2.1
209.13252	0.7
210.14343	0.5
211.07515	2.1
211.14798	0.6
221.13132	1.6
223.11246	1.2
224.11925	2.6
225.09143	6.9
234.10506	0.6
235.07568	1.0
237.05550	0.7
237.09084	1.6
237.12752	0.8
238.13510	2.1
239.07002	0.8
239.14276	11.3
249.12709	2.0
251.10443	1.6
252.07831	3.1
252.11418	9.2
253.08578	7.7
253.12100	3.4
263.06903	0.5
265.08691	0.6
265.12219	2.3
266.13120	1.0
267.10681	1.2
267.13782	32.2
277.12384	2.4
280.07355	1.9
280.10919	2.4
281.08148	2.5
281.11600	1.0
295.13287	51.0
305.11826	0.7
308.10385	0.9
323.12726	12.8
557.24280	0.6
589.25836	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	589.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81849	4.1
54.95166	4.0
57.57104	3.7
77.86987	4.9
79.05486	5.3
81.03410	4.9
81.07057	5.7
93.07045	10.8
95.04934	6.5
97.06546	5.9
105.03390	100.0
105.07036	21.5
107.04955	5.5
117.06985	5.9
119.08551	6.5
121.06500	8.6
121.10143	9.3
123.04393	8.5
133.06511	15.2
133.10109	18.2
137.05977	8.1
139.03958	6.6
143.08566	6.8
145.10072	8.7
147.04422	6.2
147.07994	6.0
149.09618	6.9
155.08554	18.6
157.10095	7.9
161.09586	10.3
165.05385	4.6
167.07117	5.3
167.08447	6.3
169.10109	7.0
171.11699	9.5
181.10080	8.0
182.10828	7.2
183.08127	6.6
183.11668	10.7
185.09581	6.2
191.06870	5.6
192.09338	10.5
193.10086	8.2
195.11673	24.8
197.09622	9.2
197.13243	28.7
199.11064	6.8
207.11725	26.7
209.09624	22.4
209.13113	5.0
211.11142	9.9
220.08832	5.4
223.11182	5.3
225.12762	24.1
235.11087	19.3
247.14691	5.9
250.13667	5.2
251.14240	5.6
253.12115	33.7
260.12189	5.1
265.15887	20.7
271.13226	25.4
283.16986	7.7
293.15396	10.6
311.13266	4.9
311.16306	38.2
329.17535	17.2
437.23578	4.9
589.27649	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	589.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26942	4.6
59.05001	5.9
60.12403	4.7
61.69348	5.4
63.17271	5.0
64.68356	5.0
64.92632	5.9
71.66465	5.1
83.05013	6.1
91.05484	7.8
93.07028	25.5
95.04980	11.0
95.08611	6.9
105.03403	100.0
105.04495	6.7
105.07031	43.2
107.04927	6.9
109.06515	8.1
119.08557	7.5
121.06508	29.6
121.10143	12.0
128.16579	6.0
131.08578	7.2
133.06509	37.6
133.10124	26.0
135.08055	8.6
135.70555	5.6
138.77846	8.4
143.08574	28.8
145.10100	53.0
147.08086	6.4
149.05980	12.9
151.07521	5.9
154.07828	5.6
155.08563	24.8
157.10112	30.5
159.08022	23.6
161.09596	26.5
163.11165	11.7
165.07103	8.3
167.08589	8.1
169.10091	24.1
171.08043	12.4
171.11728	9.5
173.09613	25.7
177.09108	6.0
179.08678	7.7
180.09274	7.3
181.10152	44.0
182.10860	8.9
183.11697	34.3
185.09639	11.7
187.11163	5.8
191.10651	7.0
192.09320	37.1
193.10193	11.5
194.10899	6.2
195.11705	31.3
197.09686	9.6
197.13277	25.6
199.11180	35.9
207.11682	69.5
208.12485	8.3
209.09698	30.7
209.13197	9.5
210.10402	9.7
211.11217	26.8
213.12766	9.9
221.13277	12.9
223.11220	13.0
223.14792	11.1
225.12718	44.0
227.10733	22.2
232.12405	5.9
235.11133	32.2
237.16420	12.1
239.14310	8.2
251.14381	23.3
253.12241	79.1
265.15826	25.8
267.13687	12.7
271.13208	57.6
275.14206	7.3
283.16977	29.5
293.15417	22.6
311.16537	51.0
313.14359	24.7
329.17352	54.0
389.19620	9.5
407.20383	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	589.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.6
56.00762	2.1
67.05498	4.3
69.07046	2.4
77.03918	3.4
79.05479	5.3
79.36427	2.4
81.07051	4.4
91.05476	10.6
93.07040	24.1
95.04961	17.7
95.08589	5.4
97.06486	3.7
100.08664	2.2
105.03397	100.0
105.04481	4.4
105.07020	29.0
107.08611	18.9
109.06514	11.8
109.10167	5.7
111.08046	3.1
117.04046	3.1
119.08624	19.4
119.09323	2.7
121.06512	18.3
121.10135	10.1
123.08080	14.5
125.09627	3.4
129.07002	5.2
131.08566	10.3
133.06485	38.1
133.10085	18.7
135.04410	5.3
135.08063	11.9
135.11697	2.6
137.09633	4.9
143.08540	12.6
145.06482	4.7
145.10098	15.2
147.08026	4.8
149.06009	4.4
149.09625	11.5
151.07564	4.5
153.09145	2.8
155.08574	3.9
157.10121	11.3
159.08037	11.0
161.09592	9.7
163.07547	4.0
163.35414	2.8
167.08519	2.9
169.10085	4.6
171.08113	3.9
171.11650	12.2
173.09683	2.7
175.07640	3.8
179.10629	2.7
181.10080	6.0
183.11690	5.3
185.09694	4.1
185.67860	2.5
189.12677	4.6
193.10193	5.7
195.11638	17.3
197.09616	4.4
197.13358	5.4
199.11179	11.4
207.11726	5.4
208.12444	3.0
209.09615	3.2
209.13240	4.6
211.11232	3.5
211.14798	3.3
213.12820	4.1
217.10190	2.7
221.13249	3.2
222.10303	4.1
223.11234	6.1
223.14906	5.1
225.12727	5.9
227.10934	2.6
232.12361	3.8
235.11243	3.7
239.14226	3.6
241.15868	5.1
247.14961	5.3
249.12715	4.0
251.14330	5.3
253.12198	3.8
260.11996	2.7
265.15933	13.1
266.80292	2.9
269.15347	6.0
271.13232	3.2
283.16895	11.7
287.16513	4.4
293.15387	13.1
311.16367	24.1
329.17374	27.5
336.53131	2.9
347.18616	3.4
407.20731	25.3
459.72357	3.1
589.26294	11.2
590.73199	2.7
601.36688	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	589.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05478	4.1
81.07046	5.8
88.80096	2.9
91.85923	3.0
93.07072	4.2
95.04964	5.1
95.08596	6.1
100.12952	3.0
105.03394	28.0
105.06993	5.6
106.62360	3.5
107.04937	16.2
108.13223	3.4
116.67041	3.9
117.06981	4.2
119.04966	4.0
119.08567	4.5
121.02896	3.7
121.10121	3.6
122.52710	3.3
123.04421	8.4
124.90603	3.4
133.06456	4.8
133.10121	12.8
143.08517	4.5
145.10095	5.0
147.04445	5.2
147.08017	4.0
151.07455	5.3
155.08565	8.4
158.15814	3.5
161.09671	3.6
165.05492	5.0
167.24927	3.2
169.10107	5.9
180.72412	3.3
181.10152	5.7
183.11691	7.0
192.09346	4.2
195.11694	4.5
196.12495	3.7
197.09636	4.1
197.13287	19.7
199.11197	7.0
207.11688	7.5
209.09602	7.9
211.11125	8.5
221.13283	4.1
223.11221	8.5
225.12756	14.1
225.95847	3.4
235.11122	4.5
237.12729	3.9
238.73831	3.7
253.12254	24.1
265.15759	4.8
271.13300	14.5
275.16544	11.4
293.15350	7.2
311.16492	25.4
315.05090	5.7
317.06549	7.9
321.75122	4.2
329.17490	6.6
371.18472	4.9
380.19742	45.3
426.20215	100.0
427.21475	4.0
589.13452	20.8
589.26617	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14195	4.8
67.27670	5.6
74.66821	5.6
77.35953	5.4
79.05479	9.0
81.07053	5.9
85.64223	6.2
91.05476	13.8
93.07036	14.3
95.04961	13.7
105.03401	100.0
105.07023	30.8
107.08564	22.3
114.76542	5.8
119.08523	7.5
121.06485	11.1
131.08641	8.5
133.06503	24.8
133.10075	12.0
135.04422	7.6
142.57149	6.7
143.08574	11.1
145.10117	29.4
147.08017	6.6
155.08531	25.3
157.10098	25.5
159.07954	5.9
161.09557	12.2
169.10152	14.0
169.58525	5.9
171.11629	24.9
180.09384	7.4
181.10130	11.7
183.11823	9.6
185.09555	9.6
192.09358	39.4
193.10094	23.8
195.11705	34.9
197.13297	23.6
199.11159	28.2
207.11655	51.6
209.09610	23.0
209.13290	7.3
211.11189	23.3
213.12743	9.4
217.10255	9.1
220.08879	28.2
223.11244	13.5
223.14758	8.4
225.12750	24.5
231.89026	5.9
232.12398	6.7
233.09538	8.9
235.11166	54.4
237.16243	7.9
247.14836	11.2
250.13612	7.0
253.12222	37.0
255.17490	8.9
260.11923	25.0
265.15857	34.8
271.13159	9.1
275.14276	11.3
283.16928	30.3
293.15344	30.3
311.16266	58.9
329.17468	24.5
371.18494	10.6
380.19659	27.0
406.17319	12.8
410.20563	14.2
472.65652	6.5
589.26166	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77171	0.4
67.54569	0.5
78.61694	0.4
82.96186	0.4
107.04898	1.1
109.51717	0.6
119.04805	0.6
136.72050	0.6
211.11354	0.5
231.92564	0.6
256.67361	0.5
261.08606	0.6
268.46432	0.5
285.12213	1.1
297.91895	0.6
301.11789	2.8
317.06305	0.6
362.18582	2.2
378.17953	2.1
380.19495	1.0
392.16290	0.5
406.17578	100.0
408.19312	2.4
419.14865	1.8
426.20255	3.5
434.17059	1.0
452.18130	71.6
589.26563	76.0
610.95587	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	589.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58152	6.0
60.33301	6.8
67.05509	12.1
75.80811	6.0
81.03411	42.2
81.07052	27.2
91.05464	11.0
92.90526	7.2
93.07048	49.2
95.04958	27.3
95.08580	33.5
97.55320	6.8
105.07027	14.8
107.08587	36.8
109.10104	6.9
119.08568	41.3
121.10139	15.0
123.11718	8.1
131.08624	11.5
133.10126	71.2
135.08067	71.3
143.08607	24.2
145.10130	40.2
147.11644	12.0
157.10153	15.1
159.11659	15.2
161.09602	100.0
163.11153	11.4
169.10149	9.9
171.11636	9.2
173.13240	9.2
181.10098	13.9
183.11740	10.2
185.13211	11.4
189.12558	6.9
192.43631	7.0
194.10912	9.1
195.11676	12.6
197.13280	9.9
201.12788	8.7
209.13284	15.1
223.14862	31.4
239.69035	9.5
255.20979	6.9
265.19504	86.6
283.20514	67.7
325.21600	42.5
343.22763	46.3
431.28070	29.2
488.11115	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	589.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
55.05514	12.8
57.03439	24.3
65.03944	2.7
67.05175	2.9
67.05508	58.2
69.07057	12.4
79.05495	39.1
80.35480	2.1
81.03429	3.0
81.07063	40.6
83.04964	4.4
83.08626	4.7
85.06547	19.9
91.05469	40.4
92.49375	2.0
93.07044	48.4
95.04967	75.0
95.08592	28.6
97.06524	4.7
97.10174	3.4
105.07032	33.1
107.04956	11.3
107.08595	24.5
109.06520	67.3
109.10141	4.3
111.08072	2.9
113.05996	60.5
113.41188	1.9
117.07024	16.1
119.08559	21.9
119.81530	1.8
121.06508	4.6
121.10110	8.4
123.08067	4.1
129.06976	15.4
131.08575	21.9
133.06461	2.4
133.10129	12.4
135.08047	56.8
135.11659	11.3
143.08565	11.1
145.10114	16.8
147.08057	9.8
147.11653	19.4
149.09604	4.7
149.13275	2.4
157.10187	5.0
159.11639	7.8
161.09613	13.3
161.13164	3.1
163.11157	2.4
171.11685	11.7
173.13258	3.1
175.11200	4.3
177.12704	2.1
183.11635	2.1
189.12784	2.6
199.14838	4.0
207.13708	3.1
217.15898	12.4
273.18460	29.0
281.17468	39.9
281.20279	3.3
291.19507	65.2
347.22012	8.2
365.23303	17.1
553.34833	25.4
571.36310	100.0
589.33124	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	590.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	2.0
81.03404	8.8
81.94923	1.5
91.05477	11.2
92.35440	1.6
119.04088	2.1
119.04936	59.5
125.48322	1.8
127.12225	1.5
134.09648	100.0
143.08514	2.2
147.04411	80.5
165.05505	2.7
165.06949	2.3
167.08594	6.4
169.10094	15.7
178.07713	3.6
179.08562	20.1
180.09354	2.2
181.10129	13.0
189.05478	5.8
189.07079	5.7
191.08601	8.2
192.09424	7.2
193.10127	19.1
194.10895	13.0
195.08037	2.7
195.11647	12.3
202.07663	2.3
203.08514	21.9
204.09340	55.6
206.10902	16.7
207.11708	2.7
208.12361	2.5
209.13261	15.5
217.10091	2.3
219.11664	67.5
220.12437	1.6
221.09703	2.2
221.13251	25.3
222.10298	11.3
237.12733	34.1
239.14348	3.7
250.10652	2.6
251.14258	3.7
252.12279	42.9
254.06526	1.6
279.13889	10.4
281.15283	7.4
297.14914	5.7
339.15878	8.5
493.18411	1.8
521.95435	2.1
530.25348	20.4
590.27435	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
53.68798	2.5
54.21674	2.5
57.03426	3.3
59.23428	2.9
69.30011	2.9
72.11834	2.7
78.92201	3.1
79.05465	3.8
81.03395	4.3
81.07034	3.5
89.08649	2.7
91.05446	5.0
93.07079	5.5
95.04957	14.0
105.03394	93.7
105.07026	16.2
107.08610	6.0
109.05047	3.7
109.06477	6.5
112.34411	3.0
119.04939	3.3
119.08574	12.5
119.46987	3.3
121.06481	7.5
123.08094	3.3
123.32711	2.8
131.08545	6.1
133.06491	11.7
133.10121	13.1
134.09669	4.9
135.08043	14.3
139.22682	2.9
143.08572	14.9
145.06522	3.5
145.10121	6.6
147.08052	12.7
149.07217	3.1
149.09645	4.6
155.08481	6.7
156.09227	3.3
157.10110	16.2
159.08037	13.1
161.09595	13.1
165.06866	3.4
167.08549	15.5
169.10126	25.2
171.08008	5.3
171.11649	13.3
173.09616	19.8
173.13239	3.5
175.07457	3.4
177.09105	4.5
179.08586	19.5
180.09279	5.2
181.10129	22.0
183.11664	26.5
185.09682	4.5
185.13319	4.3
193.10120	19.6
194.10921	16.5
195.11726	13.7
196.08589	3.1
197.09596	6.5
197.13239	5.9
198.10310	3.3
199.11179	14.6
204.09256	3.1
207.11638	14.2
209.09644	4.8
209.13182	30.0
210.10208	6.6
211.11218	27.3
211.14758	3.2
212.11700	3.2
213.12750	15.0
219.11710	5.5
221.13106	3.1
222.10376	5.6
225.12704	16.0
227.10715	6.5
227.14340	18.6
229.12231	7.0
234.13722	3.7
237.12738	37.0
239.18120	3.5
249.16339	5.0
253.12245	7.4
253.15831	3.6
255.13821	50.6
261.94034	3.4
267.17542	6.9
271.13388	4.4
271.21774	3.0
273.14819	100.0
277.15848	4.7
285.18622	4.3
295.16867	29.3
313.17957	19.0
315.16022	16.2
331.18887	5.3
332.76385	3.0
342.99429	4.1
373.20041	20.1
375.18048	4.1
377.17435	38.5
391.20938	3.4
415.21091	4.2
500.75299	4.1
590.29919	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	590.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62135	1.6
53.03954	2.2
58.22141	1.7
61.06113	2.0
64.09705	1.6
65.82161	1.6
83.04973	3.7
93.06969	2.4
105.03384	45.1
105.07014	7.3
121.06460	1.8
141.07048	1.8
143.08459	1.9
145.06464	3.5
154.53024	2.2
157.10155	2.3
159.08034	2.9
167.08551	7.6
168.09247	2.3
169.10106	3.4
171.07947	2.4
179.08521	2.3
181.10143	12.9
185.09590	2.4
193.10103	2.2
194.10979	2.9
195.11713	2.9
199.11143	2.2
204.09367	4.3
207.11615	2.5
209.13248	9.5
210.58199	2.2
211.11163	7.9
219.11684	12.7
222.10359	9.5
225.12671	3.6
227.10678	3.9
227.14322	3.3
237.12729	61.3
255.13802	22.1
295.16977	4.2
315.15875	100.0
382.81259	2.1
383.82419	2.0
497.47034	1.9
590.27979	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	590.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78471	0.2
61.13981	0.2
67.05493	0.6
69.07066	0.3
79.05483	1.7
83.73153	0.2
91.05473	3.4
93.07037	0.6
95.04971	0.5
103.05447	1.3
105.07038	2.7
107.04946	12.2
107.08599	3.0
107.45108	0.3
109.06545	0.3
115.05427	0.3
117.06985	1.4
119.08575	2.9
121.06503	0.3
121.10169	0.6
129.06990	1.8
131.04924	5.5
131.08539	2.2
133.10167	1.2
134.09648	100.0
135.08038	2.2
141.06958	0.6
143.08551	2.1
145.10110	1.1
147.08037	1.1
149.05981	2.5
155.08543	0.7
156.09325	0.5
157.10115	2.1
159.08002	1.2
159.11694	1.1
161.09605	0.6
163.07535	0.5
165.07018	0.4
167.08516	0.6
169.10123	1.3
171.11667	1.6
172.08757	0.4
173.09619	0.5
175.07558	0.4
179.08598	1.0
180.09300	0.4
181.10138	2.2
183.11714	1.1
185.09625	0.5
187.11125	1.0
192.09270	1.1
193.10149	1.7
194.11790	7.9
195.11621	1.1
197.13434	0.4
198.10301	0.3
199.11150	3.5
205.10139	0.4
206.10869	0.5
207.11702	2.5
209.09676	0.3
209.13263	0.6
213.12727	1.0
219.11649	1.4
220.12460	0.4
221.09810	0.4
221.13365	0.4
223.11223	0.5
229.10027	0.4
233.09641	0.4
233.13228	0.6
234.14056	1.7
235.11177	0.6
244.12556	0.7
247.11195	1.3
249.16406	0.5
259.14810	0.5
262.13501	1.0
267.17490	0.4
273.45596	0.3
277.15836	2.0
288.95724	0.3
295.16852	2.4
297.18466	0.6
337.18039	1.5
339.19510	0.3
397.20139	1.7
471.60846	0.3
590.31134	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86400	0.8
68.99792	2.1
83.54971	1.0
85.02903	3.9
95.04993	0.9
97.02863	0.9
109.02844	1.4
111.00811	2.3
111.04426	5.5
120.12317	1.0
123.04420	25.3
127.03909	100.0
128.58879	0.9
131.04922	0.9
135.04408	31.2
137.02318	3.9
139.03903	25.0
141.05467	26.5
143.46204	0.9
149.02374	1.2
151.03886	9.6
153.05472	8.4
159.04457	1.9
161.05959	3.6
163.03896	44.1
167.03365	4.1
177.05432	1.7
179.03355	1.8
187.03883	4.2
191.06985	2.2
193.04967	8.9
197.06097	1.1
201.05458	5.0
203.06961	1.7
205.04918	5.9
215.07088	1.4
229.04924	8.0
231.06531	1.3
233.04350	1.1
235.05885	1.4
243.06604	8.0
245.04337	1.5
247.05998	31.2
257.04398	1.2
259.05951	13.5
261.07504	8.8
271.02405	8.9
271.06021	20.1
277.07150	8.4
285.03937	13.0
285.07211	2.5
289.03552	6.4
289.07022	46.7
301.06992	4.8
303.04926	14.4
315.05069	2.3
345.06088	6.2
411.10825	4.4
429.11658	18.6
451.06628	1.6
573.10144	1.6
591.11230	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91919	1.8
75.67196	1.9
80.97921	1.9
91.05484	2.4
107.04350	1.8
107.04953	85.8
119.04940	100.0
121.02850	11.4
123.04394	8.3
125.02322	3.7
126.46067	2.4
135.04379	3.3
137.05977	8.9
141.05460	9.5
141.80232	2.1
145.06487	2.5
147.04408	91.5
153.05508	19.9
153.06560	2.0
160.78658	2.2
161.05945	3.6
163.03886	24.7
165.05493	36.9
177.10907	2.6
181.04956	50.7
181.06458	4.9
182.07256	2.6
189.23169	2.4
191.60345	2.1
195.06567	3.5
199.07587	2.8
205.04956	36.0
209.05894	2.4
213.09163	12.1
217.04912	4.1
219.11208	3.9
227.07040	10.6
228.73897	2.5
237.05542	2.9
241.08554	28.8
245.08070	72.6
257.08090	11.0
259.09604	16.4
269.08118	21.5
271.05954	16.7
272.06845	2.4
273.07434	2.2
285.07529	14.0
287.09134	93.5
289.11871	10.4
291.13409	9.6
303.08636	49.7
315.08649	24.1
406.17743	10.6
421.12573	2.7
428.21783	40.3
436.18411	5.0
437.12305	3.5
439.13943	28.7
451.40839	2.2
455.13339	3.9
525.24847	3.8
591.18402	22.2
591.28137	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48160	1.1
82.81606	1.2
89.62811	1.7
91.05474	1.8
101.52139	1.3
107.04270	2.6
107.04958	64.8
111.04435	1.5
119.04937	90.3
121.02840	2.4
123.04422	2.4
125.02332	6.3
133.06400	1.5
137.05948	5.5
141.05475	7.5
145.06467	2.6
147.04413	79.5
153.05470	15.0
161.06000	3.1
163.03905	22.3
165.05467	20.6
171.04369	2.5
181.04959	40.4
181.06468	5.2
183.08136	1.5
187.03944	1.3
189.05415	1.6
199.07639	1.6
205.04959	22.4
209.06082	1.9
210.06804	1.9
213.09074	6.3
217.08646	1.3
227.07094	10.8
229.08656	1.4
237.05594	2.6
237.18903	1.2
241.08559	26.5
244.33002	1.3
245.08043	43.3
249.54488	1.2
257.08109	7.2
259.09720	12.4
269.08032	22.5
271.06015	7.8
272.06863	1.5
273.07370	1.7
285.07608	12.6
287.09131	100.0
303.08646	31.6
315.08575	14.1
410.11813	1.3
421.12787	1.7
437.12308	2.4
439.13861	17.9
454.19684	1.5
455.13242	6.4
591.18213	10.8
591.27515	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	591.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76843	0.5
53.46189	0.5
55.01879	0.6
62.77662	0.5
69.07056	0.5
72.46922	0.5
78.87978	0.5
80.23270	0.5
81.04477	0.5
91.05484	2.1
92.18613	0.9
107.04953	31.9
111.04427	0.7
117.14412	0.5
119.04939	36.2
121.02868	0.9
123.04404	4.0
124.03953	1.0
125.02302	0.9
133.06487	0.6
135.04465	1.4
136.34818	0.5
137.05960	3.5
139.03899	0.6
140.07051	0.9
141.05472	4.2
145.06415	0.9
147.04402	35.0
148.07591	2.5
151.03951	1.0
153.05469	12.4
154.08574	1.0
161.05959	1.0
163.03888	10.2
165.05466	11.8
168.06583	3.8
171.04420	1.1
181.04959	18.2
181.06458	2.4
183.08054	0.6
189.05521	1.3
195.06540	0.9
195.08212	0.6
198.00781	0.6
205.04956	10.9
209.06055	0.6
213.09096	4.1
217.04956	0.9
226.06337	0.7
227.07005	4.0
229.13403	2.4
241.08537	9.7
245.08041	18.5
255.11208	7.1
257.08093	2.4
257.12808	4.4
259.06531	0.6
259.09564	5.0
269.08121	7.2
271.06030	4.4
271.09836	0.8
272.06735	1.1
273.07501	0.6
275.13876	2.2
285.07550	5.8
287.09109	42.1
287.14038	1.2
297.12289	6.3
299.09122	0.9
303.08594	13.3
315.08786	8.7
315.13358	100.0
316.14276	0.6
372.83896	0.6
408.19244	1.0
409.12762	1.2
421.12900	2.2
437.12350	3.3
439.13995	7.7
451.14102	0.7
455.13412	2.8
591.18329	8.8
591.27899	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	591.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70949	1.3
55.88895	1.5
63.94985	1.3
64.55777	1.4
69.17272	1.6
76.13377	1.6
78.74272	1.5
82.37272	1.5
83.99171	1.6
91.05453	1.6
99.04475	2.0
107.04263	2.8
107.04961	75.8
119.04933	84.3
121.10112	2.8
123.04413	16.0
124.03966	6.1
125.02350	7.4
126.54593	1.6
131.04933	2.1
137.05975	8.6
139.03906	8.1
141.05460	11.6
145.06500	3.9
147.04402	84.7
151.03900	11.1
153.05460	28.6
163.03891	23.9
165.05429	28.3
169.05031	1.8
171.04448	2.2
175.07460	1.7
178.06218	1.7
181.04967	39.1
181.06482	3.1
189.05515	6.2
191.07007	2.3
205.04962	53.2
209.05954	2.2
213.09206	6.9
217.04955	8.4
227.07037	10.1
241.08595	23.6
245.04457	2.4
245.08099	29.9
257.08047	16.8
259.09732	12.4
269.08005	22.6
271.05875	18.3
271.09097	1.6
272.06805	6.9
285.07495	27.0
287.09109	100.0
299.08948	2.9
303.08630	77.0
315.08539	34.3
333.59140	1.9
409.12698	8.5
421.12924	6.4
437.12369	11.6
439.13895	30.4
439.24445	2.0
455.13705	13.2
517.04456	1.9
573.28802	2.3
591.16943	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	591.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46742	1.4
73.67950	1.3
79.05485	1.4
87.20237	1.7
88.23832	1.8
91.05458	2.3
94.57842	1.7
107.04951	93.1
108.05271	2.6
108.46494	1.8
111.04425	2.1
119.04936	93.8
121.02873	11.2
123.04428	13.5
125.02354	9.1
133.06458	2.6
137.05974	6.4
139.03888	2.3
140.04518	1.5
141.05450	13.5
145.06483	2.4
147.04402	92.4
151.03873	5.8
153.05458	22.6
161.05981	3.3
163.03899	18.6
165.05455	36.6
171.04359	6.3
181.04930	49.4
181.06413	4.1
183.08109	2.1
185.05945	2.2
198.06641	1.7
205.04962	41.3
213.09096	9.6
217.04968	2.4
222.65195	1.8
227.07063	9.4
229.08511	2.2
237.05360	2.3
241.08556	32.4
245.08070	84.6
257.07996	12.0
259.09616	9.6
269.08078	24.6
271.06012	15.4
272.06686	6.3
273.07523	2.0
285.04703	1.8
285.07629	18.1
287.09109	100.0
299.09238	1.8
300.06116	2.3
303.05231	4.1
303.08572	56.8
315.05215	3.4
315.08627	26.1
315.13126	6.0
317.06387	8.9
318.06851	8.3
319.07166	9.9
327.08884	2.0
382.21313	3.4
421.12842	3.8
422.05630	2.3
426.20490	2.0
437.12268	2.0
439.13907	29.1
455.13327	7.5
591.13000	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91893	1.0
91.05459	4.6
92.17735	1.6
95.23254	1.1
107.04948	77.1
111.04433	1.7
119.04935	81.4
121.02845	6.1
123.04402	20.8
125.02332	2.4
133.06485	2.7
135.04416	2.1
137.05978	8.0
141.05464	12.8
145.06509	2.4
147.04402	90.6
151.03853	1.3
152.17551	1.3
153.05463	17.6
161.05994	2.4
163.03888	21.8
165.05458	31.6
169.05240	1.1
171.04378	4.9
181.04959	42.8
181.06432	5.4
182.07263	1.9
183.08139	1.2
189.05489	2.2
193.04939	2.4
199.07498	1.3
205.04959	29.0
209.06061	1.5
210.06644	1.6
213.09027	8.9
217.04892	7.9
226.06154	1.5
227.06879	8.5
229.08627	1.4
237.05392	2.4
241.08531	28.5
245.08061	24.5
255.06438	1.6
257.08069	7.4
259.06064	6.8
259.09659	11.9
269.08066	27.2
271.05963	23.2
272.06674	1.5
283.06049	4.7
285.07535	21.2
287.09122	100.0
299.09018	2.7
301.07040	6.7
303.08560	23.8
305.10272	1.6
315.08627	30.6
315.13361	39.2
317.10242	2.6
321.43369	1.2
327.08731	2.4
347.11172	1.2
389.83704	1.5
409.12906	2.7
421.12759	10.6
423.10825	14.6
437.12564	8.2
439.13898	7.2
455.13306	24.8
467.13376	1.6
471.17575	5.0
531.20227	2.0
591.19464	12.9
591.28479	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	591.22
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63126	1.0
72.20090	1.1
91.05502	2.3
107.04949	67.4
119.04935	72.0
121.02876	5.5
123.04405	17.2
125.02306	2.7
133.06364	2.1
135.04361	1.9
137.05954	5.6
139.03966	1.3
141.05453	11.1
145.06516	5.5
147.04396	75.9
148.33437	1.2
151.03798	1.7
153.05458	16.8
161.05841	1.7
163.03879	23.8
165.05446	25.2
168.06549	2.2
171.04420	5.8
177.05579	1.4
181.04955	41.5
181.06488	2.9
183.08020	1.6
189.05466	1.6
205.04964	23.5
205.35776	1.4
209.06013	2.0
213.09119	8.4
217.04977	5.4
227.06888	9.0
229.08556	1.7
241.08545	24.7
245.08049	26.9
255.06551	1.8
255.11246	2.7
257.08008	4.9
259.06033	5.9
259.09674	9.0
269.08090	22.1
271.05978	19.4
283.06070	4.7
285.07559	17.8
287.09116	100.0
297.12357	2.4
299.09009	1.7
301.07199	5.2
303.08627	17.9
315.08643	27.6
315.13370	53.8
317.10416	1.9
327.08621	2.0
409.12863	2.8
411.15646	5.5
421.12558	6.2
423.10767	12.0
437.11954	8.8
439.13824	6.9
455.13251	16.9
471.17688	17.0
531.19940	11.8
591.19623	11.9
591.29614	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
58.24982	0.7
61.01146	0.7
67.32792	0.8
78.03784	4.5
81.03419	0.9
85.02885	0.8
102.03768	9.0
120.04771	1.3
124.55929	0.8
124.67980	0.8
131.06372	9.5
132.04776	5.0
149.07434	69.7
151.03896	100.0
159.05882	0.9
169.25949	0.7
184.09828	1.2
198.00337	0.9
242.69116	0.9
243.11659	1.0
261.12689	22.9
279.13702	1.3
299.10580	31.1
364.39056	0.8
380.94312	0.9
411.15909	6.4
429.16852	1.9
461.15741	13.2
573.21039	6.6
591.25549	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	591.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03986	1.3
70.42785	1.4
78.86207	1.7
83.62792	1.5
91.05461	3.9
92.18586	3.3
93.07082	2.2
95.04933	2.4
95.08617	1.6
105.07018	1.7
105.91718	1.6
107.04263	3.2
107.04960	75.9
107.08590	2.1
109.06493	2.1
111.04452	2.0
112.63564	2.0
119.04941	94.6
119.08592	2.0
121.02851	3.4
123.04424	8.2
125.02360	3.3
129.36845	1.8
130.96654	1.5
131.16122	1.6
133.06424	5.0
133.10144	1.9
135.04384	1.9
137.05980	6.7
141.05496	11.8
145.06471	7.5
145.10173	2.2
147.04408	97.7
147.08105	1.9
153.05472	20.3
157.06519	2.5
157.10173	3.0
161.06006	3.0
163.03868	19.2
165.05478	27.8
167.08517	1.9
169.10130	3.2
171.04448	2.3
175.07468	1.5
181.04988	42.5
181.06435	4.8
183.11664	3.2
189.05484	3.1
195.11684	2.8
197.13321	2.9
205.04933	27.2
207.11806	2.3
210.06940	1.9
213.09090	8.2
225.12675	2.3
226.68666	1.8
227.07042	10.9
241.08588	28.8
245.08055	43.3
257.07993	3.8
259.09634	9.4
269.08102	21.5
271.06027	10.6
272.06726	2.3
273.07565	1.9
285.07611	17.2
287.09137	100.0
301.06964	2.4
303.08633	32.2
313.11942	7.0
315.08636	18.3
315.13354	15.9
331.12955	1.9
352.66281	1.5
406.17563	6.7
410.06415	2.1
437.12021	2.9
439.13742	15.0
451.13351	1.8
455.13251	7.3
471.19864	52.3
531.22101	14.6
591.24615	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	591.2413
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
57.32944	0.5
60.33885	0.5
60.59525	0.6
76.54656	0.6
91.05476	0.7
91.74764	0.6
93.06992	0.8
100.03348	0.6
105.07030	2.4
106.15777	0.8
107.04933	1.0
109.06409	0.7
109.10158	0.7
120.79490	0.6
121.06476	0.9
121.10120	1.1
123.04404	2.5
133.06425	0.9
133.10059	0.7
136.62160	0.8
139.03899	0.9
147.04384	1.4
147.07996	0.8
151.03902	1.1
153.05472	0.7
157.10054	0.8
159.11652	0.7
160.72713	0.7
163.03810	0.9
169.09990	1.0
171.21532	0.6
177.05490	0.7
181.04990	0.7
182.10791	0.7
183.11636	1.1
189.05348	0.6
192.09384	0.7
195.11696	3.8
197.09770	0.8
197.13216	1.1
199.11218	0.9
207.11757	1.2
211.11208	1.0
225.12717	1.3
245.08011	0.9
265.81415	0.6
287.09039	1.1
303.08401	1.0
353.13867	0.9
406.17474	1.0
411.17715	0.8
413.15536	2.5
452.18057	0.7
471.19678	2.6
531.22321	1.0
573.28613	0.7
591.23938	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	591.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
55.67580	1.5
56.97982	1.5
83.44549	1.3
91.05479	2.0
105.07004	1.6
107.04961	21.8
107.08628	1.8
119.04925	21.2
123.04470	2.6
137.02371	2.7
138.09108	1.6
142.07896	1.6
145.06473	1.7
147.04416	13.8
153.05478	2.6
163.03865	3.3
165.05437	7.7
167.98239	1.4
169.10030	1.3
171.11668	1.6
181.04987	9.5
195.11746	1.8
206.35159	1.4
211.11096	2.2
241.08585	7.6
245.08151	6.0
253.12079	1.7
259.09610	2.0
267.19568	1.6
269.07910	2.3
287.09085	14.4
303.08496	2.9
306.08759	1.6
315.09491	3.9
315.13339	40.2
323.12579	2.0
380.19592	5.8
406.17679	22.4
408.19107	2.1
411.17673	2.2
439.14066	1.7
452.18256	16.7
454.19846	2.0
471.19971	21.4
531.22168	8.5
591.23480	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	591.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99382	3.1
56.77167	3.4
68.90681	3.2
69.49839	3.3
71.04959	3.3
79.05457	7.9
81.07057	7.2
83.04953	7.0
91.05473	20.5
93.07033	43.3
95.04943	15.4
95.08603	8.8
105.07020	24.5
107.08566	25.8
117.07020	13.7
119.04900	3.5
119.07867	3.4
119.08562	31.1
121.10098	5.5
129.06992	6.0
131.08585	30.0
133.06485	21.8
133.10103	8.0
135.08028	31.0
135.11758	4.0
143.08549	17.8
145.10092	5.9
147.08020	4.0
149.09610	6.6
153.06857	4.2
155.08531	23.5
157.10139	15.9
159.08032	4.8
161.08067	3.2
161.09602	17.2
165.06956	4.7
166.07828	5.2
167.08543	16.4
169.10114	18.0
175.05023	3.8
175.07538	6.9
175.11058	4.2
179.07191	3.6
179.08534	25.4
180.09476	5.1
181.04950	4.1
181.10115	37.5
183.11635	4.3
185.09596	5.1
187.07521	6.2
191.08496	4.5
192.09361	15.6
193.10107	33.8
195.08099	3.7
195.11678	14.5
197.09598	6.3
201.08815	4.3
205.10124	23.0
206.10880	16.5
207.11627	45.3
209.09691	7.2
209.13345	4.1
217.10136	7.2
218.10771	5.3
219.11725	18.3
220.12463	8.6
221.13196	28.7
223.11171	14.3
223.14857	6.7
225.09106	7.0
232.12454	18.6
234.14026	7.3
235.11041	36.1
237.09047	6.3
237.16495	5.4
247.14754	31.3
249.12675	6.3
249.16434	41.2
251.10690	4.7
251.14285	14.2
253.12233	8.6
265.15823	36.7
275.14175	32.1
281.19284	3.7
283.16977	7.8
293.15356	100.0
295.13303	6.5
311.16403	67.1
329.17291	4.5
335.16278	4.5
353.17313	8.7
371.18365	6.0
496.66269	3.8
531.25848	6.8
591.27692	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2812
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
57.63743	0.6
59.38121	0.6
64.05670	0.6
91.05441	0.7
92.17919	1.1
107.04940	1.5
119.04919	3.3
124.07584	0.7
127.18592	0.7
140.53352	0.7
147.04414	3.6
160.85696	0.8
163.03925	1.1
181.04961	1.1
188.99490	0.7
193.78139	0.7
205.05006	1.2
245.08092	1.3
285.12311	3.1
287.09244	3.7
303.05142	1.0
303.08368	0.9
362.18509	6.1
378.18002	1.3
380.19678	8.4
406.17584	75.4
408.19211	3.8
422.20834	2.7
426.20297	7.8
452.18134	80.5
545.27734	1.0
591.28180	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	591.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07974	0.8
68.26923	0.8
70.08501	0.8
70.49319	1.0
78.89876	1.2
92.18509	2.7
105.03402	0.9
107.04943	9.4
118.42429	0.8
119.04959	10.4
122.09614	0.9
123.04427	1.0
128.93819	0.8
147.04398	8.9
153.05440	1.6
163.03905	1.7
165.05431	2.0
176.40703	0.9
181.04965	4.7
205.05043	2.1
237.06569	1.0
241.08574	3.9
245.08148	7.1
247.90569	1.0
269.08145	1.8
271.06015	1.4
285.07568	3.5
287.09103	11.3
303.08737	4.9
315.08658	2.1
336.13474	14.0
350.15012	5.6
351.15842	4.4
362.18768	1.2
364.16644	0.9
377.13712	3.5
378.18063	15.6
380.19687	8.6
392.19742	13.1
406.17578	100.0
408.19339	3.9
410.20816	5.5
423.17975	1.0
428.21912	1.4
436.18628	54.6
439.13998	1.9
454.19934	6.7
525.24854	1.0
543.25751	3.6
573.27167	18.1
591.20197	3.6
591.28125	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62799	0.2
55.94876	0.2
58.70531	0.2
59.60357	0.2
65.84496	0.2
66.24472	0.2
140.07054	1.8
148.07565	1.8
168.06537	3.7
173.25043	0.3
225.10152	1.0
227.11794	0.5
243.11290	0.6
255.11264	8.8
269.12875	2.3
277.15622	0.4
278.34933	0.2
287.13843	1.0
297.12280	7.3
298.10934	0.3
313.89899	0.2
315.13348	100.0
316.14139	1.4
468.99561	0.2
579.43500	0.3
591.28119	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	591.2817
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.27432	0.3
63.76446	0.2
115.26178	0.3
136.07550	0.4
138.38719	0.3
140.07050	1.4
148.07541	1.9
168.06531	3.6
179.42305	0.3
213.57974	0.3
225.10216	0.5
227.11865	0.3
245.12961	0.4
255.11266	7.1
255.13683	0.6
269.12796	1.9
282.85693	0.3
287.13907	0.4
297.12302	5.9
315.13364	100.0
316.14017	0.7
352.14093	0.3
382.21164	2.4
402.74399	0.3
423.31348	0.3
424.64792	0.3
428.20343	0.3
591.28192	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	591.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62992	0.3
51.78135	0.3
52.85685	0.3
54.81207	0.4
60.54301	0.3
78.03940	0.3
78.58378	0.3
91.05463	0.6
92.17928	0.4
104.56870	0.3
107.04958	6.6
119.04921	8.1
121.02861	1.4
123.04417	0.7
127.56257	0.4
140.07042	1.6
141.05481	1.3
141.43871	0.4
147.04404	9.2
148.07549	1.6
153.05458	1.5
154.08691	0.4
163.03888	2.3
165.05450	3.2
168.06519	3.7
171.04356	0.4
181.04971	3.7
181.06403	0.6
188.43152	0.4
203.06779	0.3
205.04965	3.8
213.09048	0.6
217.04811	0.6
227.06801	0.7
234.65070	0.3
241.08612	2.1
245.08078	6.7
255.11266	5.2
257.07919	0.6
259.09622	0.6
269.07990	2.0
269.12802	0.8
269.32480	0.4
269.35419	0.4
271.05945	1.6
272.06912	0.4
285.07556	1.8
287.09125	8.5
287.13913	0.5
297.12338	6.2
303.08505	4.6
315.13367	100.0
406.17746	0.4
437.11951	0.5
439.14148	2.7
452.18118	0.5
531.21881	0.5
591.13538	1.5
591.18793	0.7
591.27881	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	591.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88645	7.1
60.34525	7.1
71.27554	7.0
77.52048	8.2
93.07037	15.0
95.08546	9.8
103.05503	10.3
105.07036	21.0
107.08597	10.3
119.08569	33.9
131.04910	57.6
133.10121	21.6
143.08539	16.2
155.08563	11.5
169.10153	11.5
183.11610	9.6
192.09250	12.0
206.10905	17.5
207.11639	13.7
220.12477	9.9
221.13377	11.5
223.14674	9.7
233.13286	17.2
244.61601	9.6
248.15596	37.5
263.17905	100.0
281.18988	20.8
336.88058	9.6
496.05652	9.0
591.27551	10.3
617.38739	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	591.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63427	1.4
55.05521	2.1
67.05508	2.8
69.07047	2.8
79.05476	3.3
81.07056	3.1
83.08611	7.5
91.05467	10.1
93.07040	22.4
95.04950	2.3
95.08589	8.6
103.05441	19.3
103.87851	1.9
105.07042	21.3
107.08619	13.1
109.06495	3.0
109.10140	12.7
119.08575	35.5
121.10133	8.5
123.08054	3.7
126.20673	1.8
128.06212	2.9
129.06984	7.4
131.04915	66.8
131.08540	14.6
133.10110	24.4
134.19656	1.7
135.11734	3.5
141.07019	2.6
142.07814	3.0
143.08582	27.1
145.10109	11.2
146.26804	1.6
147.08061	2.1
147.11652	2.6
155.08556	16.6
156.09268	2.4
156.83174	1.5
157.10107	28.7
159.08066	9.2
159.11679	2.9
160.42531	1.7
161.09605	9.0
164.47485	1.8
167.08502	3.6
169.10109	21.7
170.10880	7.4
171.11658	17.5
173.09558	2.6
173.13226	2.2
175.11169	3.5
179.08560	6.9
181.10118	7.7
183.11670	29.0
185.09605	3.6
185.13211	8.5
187.11136	2.8
189.12785	2.1
192.09412	3.9
193.10097	12.5
195.11665	10.7
197.09578	2.1
197.13278	10.0
199.11174	2.2
201.12772	3.5
205.10213	2.1
206.10938	16.6
207.11661	25.4
208.12395	4.1
209.13264	9.5
211.11130	2.8
219.11617	6.9
220.12498	10.1
221.13229	21.5
223.14815	3.7
233.13255	13.9
234.14073	9.5
235.14824	7.4
237.16310	3.4
239.18074	2.9
248.15570	25.4
253.19347	4.9
263.17929	100.0
277.36462	1.7
281.18973	37.5
299.20074	10.2
301.21860	1.8
323.19937	3.7
329.98431	1.8
341.20969	3.5
383.22552	2.7
401.23608	2.2
462.67151	2.2
471.25183	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	592.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.6
56.05025	3.7
59.28637	1.8
65.57376	1.9
74.06080	100.0
83.04975	3.9
86.98583	1.9
91.05475	34.4
93.07081	2.7
105.07027	3.7
107.04922	2.3
119.04951	16.4
119.08559	9.3
121.06474	2.3
124.67084	2.2
129.06995	2.7
131.08623	2.6
132.08063	20.9
133.10112	3.8
140.52122	1.9
143.08530	3.3
145.10086	2.8
147.08018	2.8
150.09103	23.5
150.44360	2.2
150.99152	2.5
156.09297	2.1
157.10197	2.1
159.08076	2.3
159.11699	3.7
166.07788	2.1
169.10104	3.1
171.11670	4.1
178.08632	4.5
181.10085	5.0
192.10204	27.2
193.10146	2.3
199.11159	3.9
211.11238	3.0
220.09671	56.5
225.16486	2.4
238.10733	32.3
266.42346	2.2
267.17374	4.7
277.15933	4.4
295.16824	20.4
355.19211	3.4
360.21680	2.0
494.02759	2.3
550.97253	2.1
592.29071	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	592.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38193	0.8
53.03950	0.7
53.75110	0.7
56.05022	0.9
61.75048	0.9
65.03973	0.8
66.50793	1.1
69.61422	0.9
74.06080	52.5
79.05516	1.3
81.03430	7.1
86.11340	1.1
87.85451	0.9
91.05471	15.5
92.38488	0.9
95.04407	1.6
95.04971	22.4
105.07040	6.9
107.04987	1.0
107.08523	1.4
109.06499	1.5
115.02121	0.9
117.07021	1.2
119.04916	4.1
119.08574	7.8
121.10071	1.0
122.18915	0.9
129.06995	1.6
132.08067	5.0
133.06488	2.0
133.10124	100.0
133.74239	1.1
135.08054	1.7
136.75987	1.0
145.06520	1.1
147.08034	5.8
147.59941	1.1
150.09146	7.7
156.09285	1.7
157.10075	2.2
159.11668	4.5
161.05962	3.3
161.09650	0.9
170.10820	1.1
171.11682	8.4
173.13242	1.8
175.07539	1.1
183.11754	1.2
185.13225	2.3
186.10477	1.1
187.11182	1.5
189.40685	0.9
192.10182	9.3
199.11166	1.5
201.12720	3.9
213.12688	2.1
220.09653	4.9
221.13190	1.3
234.14102	1.7
237.12503	1.1
238.10718	25.4
247.11130	1.0
249.16519	1.2
259.14728	1.5
271.45175	1.0
277.15643	2.8
295.16946	21.8
386.99310	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	592.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90702	2.8
52.36326	2.9
56.29829	3.6
67.05505	6.3
76.00130	3.3
79.05498	6.8
81.07050	4.0
91.05456	7.0
92.18491	7.8
93.07040	19.3
95.04938	6.9
95.08600	18.3
95.56364	3.8
99.04459	4.4
101.86118	4.0
105.07053	7.0
107.08576	16.1
108.38255	3.7
109.10186	7.8
117.06985	7.5
119.08561	51.2
121.10171	8.3
131.08540	5.7
133.10121	100.0
135.08015	8.6
137.09590	5.0
143.08586	7.0
145.10123	58.3
147.11700	14.9
149.09679	4.8
155.08525	5.7
157.10094	6.7
159.11693	18.2
161.09496	4.7
163.11191	9.2
171.11652	18.1
173.13300	12.0
181.10094	18.0
183.11679	7.3
195.11717	16.5
197.13223	6.1
200.40791	3.5
208.12437	4.2
209.13271	28.7
223.14786	20.6
232.48384	4.2
242.72522	4.4
257.15356	49.2
265.19501	79.5
280.56927	3.9
283.20602	5.1
297.18488	25.6
385.23752	22.0
468.53448	4.1
485.05829	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	592.348
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86899	3.4
67.05495	5.6
79.05473	4.2
81.07067	8.3
91.05483	6.0
91.73650	3.3
93.07037	30.8
95.04955	14.9
95.08593	16.2
102.18060	3.2
105.07023	15.5
107.08591	23.3
109.10185	13.1
117.07010	7.0
118.98853	3.8
119.08570	46.2
121.10046	12.0
130.07756	4.5
131.08551	6.5
133.09203	4.4
133.10132	92.2
135.08054	4.7
135.11665	3.7
137.09608	5.6
140.39603	3.4
143.08510	5.0
145.10133	68.0
147.11664	13.9
157.10114	19.9
159.11682	17.0
163.11166	15.6
167.08609	5.2
169.10158	13.5
171.11664	18.1
173.13309	4.6
181.10092	13.5
183.11621	7.1
189.00560	4.3
195.11632	7.5
197.13239	14.8
208.12489	3.6
209.13254	34.0
223.14754	26.7
265.19489	100.0
283.20490	7.2
311.38254	3.4
325.21408	4.9
381.36777	3.5
385.23599	33.7
592.34399	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	592.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22252	2.0
55.05502	2.3
55.05743	2.2
59.79204	1.8
61.64733	2.1
67.05506	3.2
67.33064	2.3
79.05460	4.7
81.07047	4.3
87.02872	2.1
91.02521	2.1
91.05478	8.9
93.07033	14.3
93.74796	2.0
95.04943	4.4
95.08580	11.1
95.52825	1.9
102.70469	1.9
105.07034	13.7
107.08615	16.6
109.10152	11.0
115.62783	2.2
117.07009	4.3
119.08577	49.9
120.31817	2.4
121.01633	2.3
121.10157	9.5
123.11658	2.1
130.07800	3.4
131.08545	8.9
133.10130	100.0
135.08063	9.2
135.11713	8.7
137.09554	2.6
143.08563	4.9
145.10112	74.6
146.04381	2.4
147.11688	13.5
157.10158	15.3
159.11624	17.0
163.11169	19.8
167.08551	4.4
169.10118	8.9
171.11694	12.6
173.13275	4.1
181.10066	7.4
183.11696	13.3
185.13231	3.7
194.10876	2.9
195.11729	15.2
197.13264	9.8
208.12569	5.4
209.13245	31.3
223.14856	22.8
237.16470	4.3
250.17236	4.5
265.19504	88.9
277.13614	2.6
283.20480	5.0
325.21613	4.8
385.23715	25.0
532.35840	2.8
592.38483	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	593.1655
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
54.36501	0.5
54.36775	0.5
54.39126	0.5
74.29739	0.6
92.17902	0.7
105.17062	0.6
107.04961	1.4
109.02881	1.1
111.04468	0.7
119.04945	1.0
123.04423	49.2
126.15976	0.6
127.03884	2.7
129.52928	0.7
133.77731	0.5
135.04382	4.9
139.03899	89.0
141.05437	2.6
147.04402	11.4
150.20973	0.6
151.03896	100.0
153.05441	3.7
161.06009	0.7
163.03897	10.7
165.05452	10.3
169.04945	1.5
173.05920	0.8
181.04980	2.9
189.05499	0.9
193.04942	7.9
207.06540	4.9
211.07588	0.7
215.07101	1.4
217.08482	0.7
233.16487	0.6
239.07080	1.3
243.06593	1.3
271.05991	1.0
273.07571	2.4
285.07477	5.9
287.05621	1.2
289.07056	23.5
291.08569	9.3
301.07071	7.8
303.05124	1.3
303.08588	27.1
423.10620	3.1
441.11765	50.9
453.11670	3.7
582.33673	0.6
593.16699	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	593.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29783	5.2
59.77892	5.3
61.45344	5.1
62.48426	5.5
69.03403	5.7
70.57233	6.1
93.07025	13.4
102.78397	7.3
105.03394	14.7
105.07032	30.8
109.06545	7.7
119.08537	12.1
121.06480	13.7
131.08578	7.5
133.06467	36.0
135.08043	9.1
145.10107	8.6
149.06015	9.2
149.35109	7.1
151.07513	8.5
158.21176	6.1
161.09534	14.3
166.90689	6.1
169.10098	10.8
171.08041	8.1
173.09583	9.7
178.14873	6.9
181.10083	25.2
183.11642	6.1
185.09599	6.8
185.13234	5.8
191.06966	7.4
192.09361	6.9
195.11697	35.7
197.09662	12.4
197.13223	10.5
199.11168	27.2
207.11694	34.9
209.09601	14.0
210.10323	7.5
211.11168	24.4
213.12634	8.9
217.10191	11.7
219.11699	8.0
220.08734	10.6
221.13347	6.7
223.11168	48.8
225.12704	54.2
227.10667	11.9
232.12469	26.1
235.11174	36.5
237.16304	7.2
239.14281	9.3
241.12221	11.5
247.14850	11.4
249.12909	8.4
251.14330	8.2
253.12195	45.2
260.11920	11.4
263.14395	7.6
265.15881	33.5
267.13757	12.0
269.11710	10.3
275.14218	13.3
283.16904	11.3
293.15353	48.2
311.16385	50.1
313.14261	13.7
336.34769	7.5
352.39355	6.6
353.17377	26.2
371.18469	26.5
373.16382	100.0
413.19373	26.9
419.20615	6.3
427.57532	6.2
431.20911	12.0
447.19843	10.1
451.29160	7.3
473.21570	8.2
491.22720	55.7
533.23615	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62258	4.9
57.58965	6.2
67.05496	7.1
73.36546	5.9
79.05502	13.9
80.04375	5.4
80.32510	5.7
81.52728	6.4
83.05003	8.1
91.05466	27.2
92.84496	6.9
93.07062	9.9
93.91694	6.9
95.08626	6.2
97.06538	11.6
105.07027	41.8
107.08598	13.1
119.08563	9.1
123.08043	9.5
130.10387	5.9
131.08583	11.8
133.06487	96.0
133.10114	14.5
135.08066	15.6
141.07014	8.0
143.08548	10.2
145.06485	10.0
145.10162	9.7
147.08072	25.9
149.06029	10.0
151.07431	7.2
155.08548	26.3
157.10112	10.6
159.08008	24.2
161.09544	8.4
165.06993	7.4
167.08473	11.4
169.10107	33.2
171.08009	12.6
171.11679	26.8
173.05980	7.1
173.09622	11.0
179.08568	7.1
181.10127	26.4
182.74982	5.9
183.08167	7.8
183.11659	34.5
185.09639	35.0
186.14302	7.0
193.10118	14.8
194.10822	7.1
195.11737	48.2
197.09550	15.4
197.13272	24.3
199.11191	48.8
201.12880	9.2
206.10892	6.8
207.11705	14.6
208.12500	10.3
209.09641	30.5
209.13271	25.2
210.10353	6.4
210.22229	6.3
211.11234	51.6
213.09120	10.2
213.12755	31.0
217.10168	7.5
221.13185	6.8
223.11165	37.5
223.14804	15.2
225.12799	32.6
227.10631	47.7
232.12469	10.1
235.11092	11.4
236.12071	8.6
237.16476	10.4
239.14355	13.6
241.12187	10.4
241.15808	8.7
247.14783	12.7
250.13531	15.4
251.14310	10.4
253.12224	38.2
260.12076	7.0
263.14310	7.1
265.15836	46.2
267.13724	8.8
269.11835	8.9
269.15472	11.0
271.13190	13.0
273.29221	6.4
275.14291	26.1
281.15353	10.4
283.16907	25.8
293.15417	58.3
311.16431	100.0
323.16510	6.6
329.17383	15.1
353.17520	33.1
371.18613	47.6
413.19656	10.8
424.16348	6.8
431.20816	29.6
491.22458	23.4
544.25311	7.3
574.52271	6.9
577.05634	6.6
593.25769	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36277	8.2
72.42348	9.0
91.05485	15.1
92.17970	11.6
93.07043	12.3
95.08591	16.5
105.07023	35.0
107.08649	9.4
121.06477	14.9
121.10131	16.1
123.08041	13.4
126.26225	9.6
131.08560	18.2
133.06470	19.2
133.10088	15.2
135.08112	11.0
137.09618	11.4
143.08534	12.1
145.06503	13.3
147.08044	11.8
149.06117	10.6
155.08519	11.9
159.08040	20.8
161.09592	10.4
167.08556	18.1
169.10167	13.8
173.09648	8.9
179.08537	12.5
181.10213	30.3
183.08083	8.4
183.11678	13.0
185.13145	10.5
193.10121	36.6
195.11693	41.2
197.09610	13.7
197.13327	14.2
199.11064	15.3
207.11682	39.2
209.13216	13.2
210.10344	10.3
211.11331	18.0
213.12700	14.4
223.11113	16.8
223.14815	16.7
225.12679	13.0
232.12372	14.5
235.11223	14.9
237.16385	10.4
247.14925	14.4
251.14322	14.0
253.12300	37.1
265.15839	35.3
275.14233	19.3
283.16919	16.3
293.15421	85.9
311.16312	100.0
353.17682	15.5
371.18481	45.1
373.16461	15.2
406.38434	9.0
413.19604	37.4
431.20886	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	593.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20152	8.5
55.14505	8.7
62.59481	10.0
67.97672	10.0
79.05490	12.5
81.07040	11.7
82.44804	9.2
91.05472	15.1
93.07063	14.5
95.04925	10.2
95.08620	18.8
97.06533	19.5
105.07032	53.0
107.04902	15.6
107.08600	25.3
113.85350	11.3
119.08567	45.0
121.06520	17.2
123.08090	13.4
129.06998	10.3
131.08546	46.4
133.06482	25.1
135.08017	20.3
143.08487	25.6
145.10114	14.1
147.08147	13.0
149.09587	14.6
151.07504	13.7
155.08525	21.8
157.10127	45.3
159.08055	21.8
161.09561	21.8
165.07043	12.0
167.08505	16.9
169.10124	22.5
171.07977	15.1
171.11699	16.0
177.08958	12.1
179.08575	10.8
181.10155	20.1
183.11676	18.6
185.09668	17.8
193.10139	48.5
195.11719	70.3
197.09604	16.6
197.13210	17.3
205.10068	17.7
207.11693	57.5
208.12465	15.3
209.09602	19.5
211.11198	47.1
213.12759	20.5
217.10049	22.2
221.13225	23.1
222.13966	14.8
223.11142	25.1
223.14781	23.5
225.12741	51.5
226.87206	12.5
227.10712	14.6
230.10532	12.3
235.11220	16.9
237.16298	18.6
247.14674	25.7
249.12582	16.8
250.13509	20.6
251.14290	18.0
253.12166	52.2
263.14255	14.6
265.15802	55.3
275.14255	27.0
281.15305	17.9
283.17032	20.8
293.15332	100.0
295.53915	12.7
297.12430	11.2
311.16406	75.4
313.14322	18.9
335.16522	13.8
338.80273	10.9
353.17438	18.3
371.18469	27.6
373.16504	25.7
392.04733	11.4
413.19501	19.1
431.20486	22.8
491.22534	18.7
593.29529	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	6.7
55.34923	6.2
56.50021	6.5
57.18981	7.3
68.38451	6.4
81.07057	9.0
83.04974	8.8
91.05486	30.1
92.17951	11.1
93.07055	17.4
95.04954	10.9
105.07017	53.6
107.04965	7.3
107.08592	16.4
109.06574	16.4
114.70334	7.9
117.07001	14.1
119.08564	29.3
121.06484	38.1
123.04429	17.0
129.07021	11.1
131.08545	35.8
132.21812	6.8
133.06482	33.7
133.10126	14.4
135.08067	31.8
137.09599	14.3
143.08589	28.7
145.06384	12.6
145.10132	54.8
147.08069	31.8
149.06009	9.4
149.09595	15.6
151.07599	7.4
153.05600	7.8
157.10136	28.6
159.08058	27.9
159.11653	8.9
161.09613	16.9
169.10101	10.6
171.08017	12.9
171.11662	9.2
175.07574	9.7
181.10133	26.6
183.11606	7.1
185.09598	14.3
189.12714	9.8
193.10130	35.1
195.11688	53.2
199.11150	13.8
205.10065	10.4
206.10753	10.2
207.11705	41.6
208.12541	9.4
209.09641	36.2
209.13306	12.9
211.11159	15.5
213.12823	8.8
217.10048	27.8
218.10991	7.7
221.13324	39.0
222.13960	10.3
223.11157	47.1
223.14760	15.0
225.12845	11.0
227.10635	12.2
230.10893	11.8
232.12476	34.7
235.11111	13.6
237.12762	11.3
237.16402	10.8
239.14293	9.4
241.15997	7.5
241.74675	7.5
247.14825	64.5
249.12758	32.8
250.13574	16.9
251.14253	9.3
253.15797	7.4
255.13768	7.6
260.11899	13.0
263.14371	12.9
265.15796	60.0
269.15640	8.4
275.14255	16.6
281.15372	14.0
283.17038	32.7
293.12384	10.8
293.15329	100.0
311.16397	84.4
329.17389	16.9
353.17368	56.7
371.18692	38.6
413.19394	12.9
431.20450	15.0
508.49652	7.9
563.10364	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	593.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62258	4.9
57.58965	6.2
67.05496	7.1
73.36546	5.9
79.05502	13.9
80.04375	5.4
80.32510	5.7
81.52728	6.4
83.05003	8.1
91.05466	27.2
92.84496	6.9
93.07062	9.9
93.91694	6.9
95.08626	6.2
97.06538	11.6
105.07027	41.8
107.08598	13.1
119.08563	9.1
123.08043	9.5
130.10387	5.9
131.08583	11.8
133.06487	96.0
133.10114	14.5
135.08066	15.6
141.07014	8.0
143.08548	10.2
145.06485	10.0
145.10162	9.7
147.08072	25.9
149.06029	10.0
151.07431	7.2
155.08548	26.3
157.10112	10.6
159.08008	24.2
161.09544	8.4
165.06993	7.4
167.08473	11.4
169.10107	33.2
171.08009	12.6
171.11679	26.8
173.05980	7.1
173.09622	11.0
179.08568	7.1
181.10127	26.4
182.74982	5.9
183.08167	7.8
183.11659	34.5
185.09639	35.0
186.14302	7.0
193.10118	14.8
194.10822	7.1
195.11737	48.2
197.09550	15.4
197.13272	24.3
199.11191	48.8
201.12880	9.2
206.10892	6.8
207.11705	14.6
208.12500	10.3
209.09641	30.5
209.13271	25.2
210.10353	6.4
210.22229	6.3
211.11234	51.6
213.09120	10.2
213.12755	31.0
217.10168	7.5
221.13185	6.8
223.11165	37.5
223.14804	15.2
225.12799	32.6
227.10631	47.7
232.12469	10.1
235.11092	11.4
236.12071	8.6
237.16476	10.4
239.14355	13.6
241.12187	10.4
241.15808	8.7
247.14783	12.7
250.13531	15.4
251.14310	10.4
253.12224	38.2
260.12076	7.0
263.14310	7.1
265.15836	46.2
267.13724	8.8
269.11835	8.9
269.15472	11.0
271.13190	13.0
273.29221	6.4
275.14291	26.1
281.15353	10.4
283.16907	25.8
293.15417	58.3
311.16431	100.0
323.16510	6.6
329.17383	15.1
353.17520	33.1
371.18613	47.6
413.19656	10.8
424.16348	6.8
431.20816	29.6
491.22458	23.4
544.25311	7.3
574.52271	6.9
577.05634	6.6
593.25769	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67379	0.6
55.77969	0.6
77.23311	0.7
79.29327	0.7
81.20853	0.7
83.10646	0.6
107.04952	2.9
119.04935	3.0
123.04419	0.9
125.85922	0.7
138.05476	3.6
139.03889	1.6
143.40645	0.6
147.04424	2.9
153.05452	1.2
181.05003	0.8
196.44162	0.7
205.04932	1.0
205.59865	0.8
224.14079	0.8
231.06480	1.0
259.14398	34.6
285.12369	4.0
288.09174	1.0
380.19638	5.7
382.21213	100.0
406.17468	0.8
408.19232	3.9
425.19638	4.4
426.20190	34.7
446.23782	0.8
452.18024	0.9
456.21265	12.6
482.18921	1.2
563.24896	1.6
593.26074	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83775	1.2
57.16334	1.4
70.96257	1.6
117.02756	1.7
138.05476	2.9
147.04347	2.4
153.05449	3.0
165.05484	2.1
169.16519	1.5
197.33911	1.9
256.54138	1.7
258.13519	1.9
259.14407	34.8
285.12241	3.1
380.19598	3.3
382.21246	100.0
400.17505	2.3
426.20221	37.2
456.21173	16.3
593.17407	4.3
593.26007	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29712	1.9
63.63866	1.5
65.76482	1.8
69.36181	1.8
86.44838	1.8
91.11664	1.9
95.04927	1.7
101.93832	1.9
103.05448	28.5
107.08569	2.1
131.04930	100.0
131.08571	2.5
133.10101	4.3
160.12894	2.1
195.11673	2.3
197.13101	1.9
223.11226	2.2
224.90494	1.9
232.12508	2.2
237.16417	2.3
248.04929	1.8
265.15799	14.6
283.17053	3.9
379.34573	2.1
477.22116	2.0
560.91559	1.9
593.24872	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.37256	1.0
64.88680	1.0
68.69647	1.1
96.14043	1.0
124.50068	1.2
137.77478	1.1
149.99118	1.1
206.91837	1.3
316.80331	1.2
431.18768	2.4
433.24075	2.5
445.20206	1.9
446.21243	2.1
447.21835	5.5
459.21603	5.1
460.22476	17.3
461.23193	12.1
491.24631	2.0
492.25006	1.8
496.47476	1.2
505.21661	9.0
533.25464	42.1
542.09045	1.3
565.28845	1.2
593.27570	100.0
593.36426	3.3
620.47241	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	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52515	0.4
51.16466	0.4
55.74694	0.4
62.77776	0.5
63.14693	0.5
65.55222	0.6
66.38035	0.4
69.87888	0.4
73.47778	0.4
75.73260	0.4
90.81874	0.5
112.63327	0.5
120.98308	0.5
166.03111	0.5
218.60809	0.6
224.79057	0.5
431.18890	2.5
433.24304	3.5
445.19925	0.9
446.20914	1.2
447.21786	2.5
459.21609	1.1
460.16080	0.6
460.22433	13.3
461.23135	12.3
473.23492	1.2
476.25482	0.9
487.25110	0.9
492.25006	0.6
505.21783	4.7
533.25464	45.8
593.27557	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	593.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87904	1.0
54.40617	0.9
61.18811	1.0
73.71413	1.1
124.07594	2.1
133.06509	1.4
138.09120	1.6
162.02299	1.0
313.14587	1.1
336.13464	5.5
348.20892	1.3
350.14944	2.5
351.15985	1.1
352.20517	1.4
362.18576	18.5
378.18030	8.2
379.18958	2.2
380.19635	19.3
390.17886	7.4
390.55423	1.2
392.19827	9.8
406.17557	87.2
407.18030	1.4
408.18713	2.5
410.20639	5.9
436.18637	32.1
454.19556	3.9
475.23587	4.2
527.26318	4.9
545.27551	35.6
575.28650	28.7
586.56287	1.4
593.29645	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	593.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72264	1.2
70.96444	1.1
73.69404	1.2
78.91759	1.2
98.59500	1.1
124.07611	2.5
155.95477	1.1
179.46381	1.1
213.32628	1.1
233.09354	1.2
336.13452	5.7
350.15070	5.4
361.17825	2.2
362.18500	20.0
378.18124	13.3
379.18973	5.9
380.19638	26.7
390.18149	11.5
392.19733	7.2
406.17535	100.0
408.18686	4.5
410.20682	5.8
436.18591	36.9
475.23608	5.9
527.26501	8.1
545.27545	34.7
575.28601	59.5
593.29645	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86425	0.8
79.05510	8.7
91.05478	4.5
93.07032	3.5
105.07056	3.6
107.04953	90.1
119.08577	4.6
120.08042	0.9
131.08557	1.7
134.09648	8.0
141.07024	1.2
143.08557	5.0
149.05997	13.6
154.42860	1.0
155.08551	6.5
157.10013	0.9
169.10138	10.0
179.08449	1.1
181.10077	1.4
183.11681	16.6
194.11772	71.3
196.12482	1.5
205.40712	0.9
206.10896	4.2
211.14806	24.3
215.07208	1.0
221.13219	9.8
239.14317	5.9
299.16650	1.1
362.18768	1.3
363.18802	1.6
379.12964	1.0
379.18204	1.7
380.19684	4.4
381.19943	3.6
391.18347	2.0
393.20047	1.3
406.17612	7.6
407.17929	17.7
411.20779	1.2
436.18781	1.8
437.19211	7.3
476.23965	1.2
508.48816	1.0
534.28784	3.2
546.28168	7.9
576.28955	6.8
594.30353	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	594.3059
Annotation	Integerrine
Peak:m/z	Relative Intensity
50.44908	0.4
53.26411	0.4
69.81306	0.4
72.28487	0.5
73.87342	0.5
79.05496	7.2
81.07048	0.9
81.62921	0.5
83.67579	0.5
90.94141	0.5
91.05486	5.1
93.07038	1.1
95.08601	0.7
98.53261	0.4
102.91344	0.5
105.07019	3.5
107.04951	100.0
107.08562	0.8
117.07033	0.6
119.08578	4.6
129.07014	1.9
131.04897	0.5
131.08554	1.1
134.09648	6.6
135.08107	0.5
141.07040	2.4
143.08569	4.3
149.05974	18.5
155.07431	0.6
155.08539	5.3
157.10135	1.1
167.08574	1.1
169.10101	10.1
178.07802	0.7
178.61171	0.5
179.08551	4.0
180.09192	0.6
181.10165	0.8
183.11678	18.8
191.08539	1.9
192.09396	0.7
193.10161	2.0
194.11758	69.4
195.11769	2.2
196.12518	2.8
197.13379	0.5
206.10857	4.9
209.13362	1.7
211.14806	28.7
221.13289	7.5
239.14252	4.9
299.16388	0.6
474.26248	0.9
534.28363	3.5
594.30591	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14412	2.1
55.05523	21.4
66.28601	2.0
71.34638	1.9
72.18130	2.1
73.41519	2.0
83.04503	4.2
83.04984	100.0
85.79991	2.2
88.45599	2.4
92.52997	2.5
93.07052	9.6
95.08598	4.0
105.07033	3.9
107.08584	9.2
119.08566	15.8
121.06467	2.5
121.10139	4.0
128.49101	2.2
131.08562	3.2
133.10136	4.4
135.08064	9.0
136.03603	2.2
144.75113	2.8
145.10120	4.5
147.08008	2.5
149.09637	10.3
157.10132	3.0
161.09637	3.4
171.11636	3.4
176.34964	2.5
185.13219	4.9
203.10655	4.4
209.13339	4.2
212.96579	2.7
213.12706	3.6
251.17876	11.3
257.15369	2.9
269.18976	22.7
279.17450	15.9
282.16006	4.9
297.18491	57.5
315.19537	4.1
347.00900	2.4
392.37177	2.8
397.23645	11.5
457.25931	18.3
517.27637	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	594.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.18484	0.6
56.60927	0.7
63.24639	0.8
67.05494	1.3
69.07056	1.4
71.91730	0.7
79.05495	8.7
81.07053	1.4
83.73459	0.8
88.92725	0.8
91.05461	1.8
93.07046	1.2
95.08625	1.6
105.07034	5.3
107.04951	100.0
107.08593	4.2
109.10149	1.4
114.15850	0.9
116.99715	0.9
119.08537	6.9
121.10137	1.9
129.07072	0.9
131.08543	2.0
133.10150	5.3
134.09624	7.5
143.08546	1.5
145.10104	1.7
147.11693	1.6
149.05962	16.7
155.08597	3.9
157.10155	5.0
159.11726	1.5
167.08536	0.9
169.10150	4.8
171.11700	3.3
173.09592	1.1
180.10239	1.1
183.11685	3.7
185.13277	1.6
194.11755	76.4
195.11707	1.3
197.13322	3.8
199.11255	0.9
207.11685	1.0
209.13155	1.0
211.15012	1.0
221.13451	1.0
223.14861	1.5
253.19440	1.2
281.19061	3.8
594.34308	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70808	0.6
55.05518	0.7
58.56818	0.6
79.05502	7.5
81.07057	1.3
91.05471	1.3
92.51972	0.7
93.07034	3.2
95.05009	0.9
95.08588	2.8
105.07032	8.5
107.04955	100.0
107.08595	3.0
109.06526	0.6
109.10170	3.1
115.63101	0.7
117.06976	0.7
119.08578	8.5
121.10136	5.1
123.11708	0.8
131.08578	4.8
133.10135	7.1
134.09673	8.1
135.11688	1.3
143.08580	4.5
145.06548	0.9
145.10121	3.1
147.11697	1.4
148.07648	0.9
149.05971	17.4
152.35382	0.8
155.08556	4.9
157.10088	6.0
161.09607	1.2
168.54286	0.7
169.10066	5.2
171.11662	1.5
175.11284	1.0
181.10155	1.5
183.11707	4.8
185.13206	1.4
193.10146	1.0
194.11768	81.2
195.11720	1.5
197.09758	0.8
197.13272	3.4
209.13441	0.8
211.14877	1.3
221.13222	1.6
223.14975	1.0
225.12650	0.9
225.16365	0.8
236.77780	0.7
239.18086	1.3
253.19487	1.8
260.66464	0.9
263.18024	1.0
281.18979	5.3
299.20117	3.2
341.21191	3.0
401.56216	0.8
475.63846	0.9
594.34265	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23657	1.1
60.50431	1.2
66.63496	1.3
76.28496	1.2
79.05482	8.4
90.68175	1.2
93.07011	1.7
95.08586	2.2
103.76886	1.7
105.07018	4.8
107.04951	100.0
109.10162	3.1
119.08594	3.2
121.10102	2.6
127.30444	1.6
131.08600	1.4
133.10115	8.3
134.09695	2.2
143.08534	1.7
145.10101	6.2
149.05960	18.2
155.08585	3.2
157.10162	6.4
159.11694	1.8
161.09601	1.7
167.08530	1.5
169.10124	7.2
171.11717	3.2
175.77980	1.3
181.10168	6.0
183.11681	5.5
194.11771	72.8
197.13245	8.0
207.11716	1.9
209.66214	1.5
211.11127	2.1
211.14832	1.8
223.14890	5.0
225.12608	1.4
248.15604	1.6
253.19366	3.1
263.17911	2.6
274.02286	1.6
281.18967	9.0
281.27441	1.5
299.20056	5.5
341.21106	5.7
401.23273	2.1
542.12012	1.6
594.34210	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06406	2.8
54.80185	2.5
62.42327	3.3
81.07061	4.3
95.36373	3.3
101.62939	2.9
102.87952	2.7
104.81998	3.6
105.07015	12.8
107.04955	100.0
109.10194	3.4
119.08566	4.4
133.10118	4.8
133.51648	3.4
134.09651	4.2
145.10114	4.3
149.05986	15.8
157.10121	4.3
164.04718	3.4
169.10110	13.2
181.02585	13.2
181.10329	3.6
194.11783	85.8
197.13196	4.9
253.19588	3.7
255.17546	3.3
267.03973	3.1
281.19205	4.5
452.16571	3.5
516.90173	4.0
594.25830	5.6
594.34253	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	594.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44596	0.6
67.05480	1.0
69.07072	0.8
79.05489	8.8
81.07047	3.0
83.08624	0.8
91.05475	2.9
93.07031	2.8
95.08590	3.3
97.10187	0.8
105.07029	7.8
107.04950	100.0
107.08601	3.1
109.10148	4.9
117.06975	0.7
119.08566	10.0
120.08093	4.7
121.06541	0.8
121.10106	4.9
123.11716	1.4
129.07004	1.3
129.24988	0.7
131.08540	5.1
133.06471	0.9
133.10129	11.3
134.09637	4.8
135.11726	1.6
143.08540	6.4
145.10133	4.6
147.08043	1.6
147.11665	0.9
149.05966	18.9
155.08578	4.4
157.10123	7.7
159.08067	2.8
159.11699	4.8
161.09645	3.7
165.98268	0.8
169.10117	5.7
171.11667	3.8
172.59039	0.7
179.08484	1.0
181.10199	1.2
183.11679	6.9
185.09560	1.0
185.13252	1.1
194.11757	86.1
195.11729	3.8
197.09630	1.4
197.13269	4.9
206.10939	0.8
207.11685	1.7
209.13351	1.3
211.11325	1.4
211.14886	1.1
221.13286	3.0
223.14804	1.3
225.12784	1.7
237.16368	0.9
239.14200	0.8
239.17943	1.3
253.19313	2.4
263.18030	3.0
281.18985	7.6
299.20132	4.1
341.21146	2.9
377.12280	0.7
401.23138	6.3
594.34271	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	594.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.83262	0.5
67.05505	1.1
79.05495	7.5
81.07050	2.6
83.08615	1.1
88.55643	0.6
91.05474	2.6
92.18492	0.8
93.07052	1.1
95.08600	4.1
97.10169	0.6
105.07017	8.0
107.04953	100.0
107.08603	1.6
109.10151	3.5
114.56932	0.8
117.07019	0.8
119.08570	9.2
120.08096	5.9
121.10152	4.4
123.11695	0.8
129.06999	1.5
131.08582	3.7
133.06517	0.9
133.10118	13.6
134.09666	3.9
135.07985	0.9
135.11678	1.1
141.07050	0.7
143.08559	6.7
145.10184	4.5
147.08051	1.3
149.05968	20.3
155.08557	4.6
157.10135	5.8
159.08073	1.5
159.11682	1.2
161.09596	4.6
169.10114	7.0
171.11682	1.4
173.09627	1.1
173.13226	1.1
175.11188	0.6
181.10118	2.9
183.11656	5.7
185.13304	1.5
187.11180	0.8
193.10228	0.7
194.11758	90.7
195.11720	3.8
197.13211	5.2
199.11174	0.7
206.11008	1.4
207.11729	2.6
209.13281	1.3
211.11234	1.5
211.14870	0.9
221.13219	3.3
225.12805	1.0
237.16570	0.8
239.14355	1.2
239.18011	1.3
243.13676	0.9
253.19557	3.9
263.17874	3.1
281.18890	5.6
299.20157	2.6
341.21136	2.5
401.23230	5.2
506.33063	0.7
593.57056	0.7
594.34290	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03872	9.5
60.86241	9.3
63.47331	8.3
68.17973	8.7
93.07004	16.0
97.44798	9.0
105.07047	12.1
117.01418	11.4
118.66953	9.7
119.08575	15.2
143.08630	10.4
157.10144	12.5
169.10127	12.1
207.11737	14.9
263.17676	14.5
281.19128	17.4
407.89874	11.4
436.24588	12.3
594.34430	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	594.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05499	5.2
86.48979	3.9
92.18420	3.8
93.07040	5.6
105.03387	6.0
105.07047	15.3
107.04950	92.4
119.08525	8.4
121.06493	4.2
126.62218	3.9
128.55017	3.8
135.11702	4.6
147.11650	5.2
149.06020	20.3
152.94389	3.9
163.25462	3.5
169.10088	4.0
176.12325	3.3
187.67406	4.0
194.11765	100.0
197.13193	5.9
263.17847	4.1
281.18985	5.7
303.32422	3.6
378.46619	3.4
463.04279	4.4
594.34320	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3634
Annotation	Glaucacyclopeptide A
Peak:m/z	Relative Intensity
53.57030	2.0
57.39246	2.1
67.05497	3.1
79.05466	4.7
81.03421	4.4
81.07057	11.4
83.15341	2.1
91.05473	9.0
93.07012	13.3
95.04955	3.7
95.08581	13.8
105.07024	18.7
107.08623	17.9
109.10153	14.6
117.07003	10.2
119.08580	55.2
121.10132	13.3
129.06880	3.0
131.08505	2.6
133.10114	100.0
135.08051	11.4
135.11699	3.7
137.09602	5.7
143.08537	5.5
145.10112	62.8
147.11662	11.8
157.10086	15.5
159.11687	15.9
161.09605	9.6
163.11168	23.0
167.08456	3.2
169.10097	10.4
171.11668	17.5
173.13254	9.1
181.10139	9.0
183.11726	10.2
185.13226	4.5
195.11697	16.8
197.13220	10.0
209.13232	24.7
223.14807	27.6
237.16243	3.9
250.17166	2.6
265.19467	82.5
283.20517	5.4
325.21613	5.2
379.62125	2.4
385.23657	24.1
455.02206	2.7
594.36285	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3644
Annotation	Glaucacyclopeptide A
Peak:m/z	Relative Intensity
51.37258	10.0
53.48128	11.0
66.39063	10.2
79.74946	12.1
93.07027	13.9
105.07013	11.5
133.10115	13.4
137.87735	11.4
143.08606	13.3
145.10114	17.9
149.02365	11.0
155.48814	10.4
169.10089	12.1
171.11560	10.4
178.85114	11.3
263.17938	16.2
281.18954	48.5
299.20135	13.9
432.98383	11.3
462.51337	11.3
553.06360	12.4
594.36670	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	594.3636
Annotation	Glaucacyclopeptide A
Peak:m/z	Relative Intensity
61.35750	9.8
118.09781	9.8
119.08594	14.6
133.10112	19.3
147.08014	12.4
196.66275	10.9
267.17538	10.3
291.37680	11.1
331.71698	11.1
525.50800	10.1
594.36377	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	594.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88276	5.0
67.05500	9.0
69.03414	8.3
79.05527	7.8
81.03406	31.9
81.07039	9.9
93.07035	46.5
95.04959	13.8
95.08593	30.7
105.07027	12.3
105.12601	8.7
107.08603	29.1
109.10198	7.4
119.08572	39.0
121.10156	9.9
131.08565	7.9
133.10100	61.2
135.08112	53.4
135.11678	9.9
143.08536	8.8
145.10100	45.8
147.11696	22.9
155.08572	6.3
159.11638	8.9
161.09575	100.0
163.11163	9.4
167.55321	5.9
169.10080	6.7
169.50752	6.1
171.11777	21.4
173.13322	6.1
181.10126	11.1
183.11789	8.0
183.25229	6.9
195.11658	25.3
197.13266	8.4
209.13185	10.4
223.14801	27.5
227.14397	7.5
250.17401	5.9
264.84714	5.8
265.19592	81.3
283.20514	84.9
325.21591	49.7
343.22739	72.0
385.23724	33.7
431.28094	45.8
472.50183	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	594.3643
Annotation	Glaucacyclopeptide A
Peak:m/z	Relative Intensity
59.66088	4.8
81.07048	8.7
82.03588	5.1
89.03871	4.3
91.05518	6.2
91.70765	4.9
93.07054	10.6
105.07098	13.8
107.04960	7.7
107.08599	6.5
109.10137	8.9
119.08593	41.1
121.10170	9.4
132.01645	5.2
133.10120	100.0
135.08061	32.2
136.49117	4.9
140.02797	4.6
143.08571	5.9
145.10141	48.3
157.10156	5.8
159.11700	6.7
163.11124	9.5
169.10129	7.2
171.11653	10.5
181.10057	5.0
183.11758	7.3
195.11722	6.8
209.13248	22.1
223.14771	9.2
223.72359	5.3
265.19553	61.5
385.23776	22.5
547.17462	5.7
548.24963	9.5
594.36768	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28986	1.6
52.22909	1.8
58.09702	1.7
59.06105	2.1
60.08154	2.3
67.05492	10.0
69.03420	3.9
69.07076	2.3
69.49495	1.8
79.05472	7.9
81.03419	18.6
81.07070	20.1
91.05466	8.7
93.07037	38.5
95.04952	12.3
95.08603	22.2
98.36230	2.1
104.47621	2.0
105.07034	21.3
107.04950	3.3
107.08592	26.0
109.06514	4.0
109.10143	12.9
112.50520	2.2
117.07028	8.8
119.08582	45.1
121.06514	3.8
121.10166	19.8
123.11716	3.6
129.06990	2.3
130.07787	2.7
131.04958	3.6
131.08568	13.3
133.06514	4.6
133.10133	100.0
135.08057	45.4
135.11609	3.3
137.09633	8.1
143.08563	9.2
145.06467	4.6
145.10121	63.8
147.11670	11.1
153.62772	2.4
155.08546	4.4
157.10095	17.6
159.11633	14.7
161.09604	45.6
163.11137	16.7
167.08531	7.6
169.10146	8.5
171.11671	23.5
173.13239	8.2
179.08521	2.4
181.10132	8.6
183.11664	14.0
185.13269	9.3
187.14906	2.1
194.10855	7.3
195.11693	15.4
197.13243	8.2
199.14911	3.0
201.12775	3.4
208.12485	3.1
209.13181	22.9
223.14822	19.2
227.14288	4.4
237.16362	3.5
241.15955	2.1
250.17009	3.9
265.19485	85.8
282.19409	2.1
283.20547	36.6
316.33444	2.4
325.21637	2.9
339.22964	2.8
343.22720	24.5
385.23737	3.6
399.25320	21.5
420.49582	2.1
594.36194	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	594.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89162	4.0
59.24554	3.2
59.28440	3.4
67.05486	6.5
69.03400	4.7
69.07057	3.6
72.63376	3.6
75.47307	3.2
79.05480	4.6
81.03412	22.2
81.07056	19.0
91.05457	15.2
93.07040	37.0
95.04950	16.9
95.08598	26.2
104.10754	8.3
105.07022	21.7
107.08577	31.8
109.10166	17.1
119.04940	3.9
119.08572	49.7
121.10120	25.5
131.08629	3.8
133.10127	87.3
135.08063	51.6
137.09618	5.9
139.65392	4.0
143.08559	18.3
145.10121	63.8
147.11667	7.9
155.08611	6.4
157.10139	18.1
159.11687	24.4
161.09607	53.3
163.11206	17.5
167.08652	4.2
169.10056	7.3
171.11653	23.0
173.13245	7.9
181.10083	7.3
183.11708	20.3
185.13240	7.0
189.12723	4.4
195.11697	23.6
197.13289	18.8
208.12431	4.9
209.13275	33.7
223.14827	26.0
241.15842	4.4
250.16951	4.0
265.19522	100.0
283.20502	37.1
325.21582	8.0
357.24173	16.0
385.23584	31.6
470.36502	4.2
594.36456	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14964	0.4
81.07059	0.6
93.07010	0.5
100.02593	0.4
109.75355	0.4
121.02804	0.7
127.03968	0.5
145.67424	0.4
149.02333	25.2
164.04665	0.5
167.03416	6.4
196.81868	0.4
258.46548	0.4
260.27255	0.4
283.05997	2.2
287.05319	0.4
311.09085	1.6
363.08728	0.6
390.07532	0.7
416.05093	0.7
417.05655	0.6
429.09671	5.1
431.07513	6.0
449.08606	5.0
535.10516	0.7
553.11377	0.6
563.09760	10.3
565.11292	0.5
567.12964	2.5
595.12305	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	595.1661
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03949	0.4
54.87683	0.5
57.03424	0.5
71.04998	8.9
81.03423	0.6
85.02901	12.2
97.02889	0.9
127.03909	0.9
129.05424	0.7
170.95390	0.6
175.68393	0.6
178.24684	0.6
287.05484	100.0
449.10867	2.9
456.98956	0.6
576.85907	0.6
582.57367	0.6
591.70105	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	595.252
Annotation	Salasol B
Peak:m/z	Relative Intensity
53.66108	0.4
60.74376	0.5
63.76403	0.6
64.02845	0.5
88.77802	0.5
95.04987	1.0
96.47475	0.6
96.48219	0.6
102.33560	0.5
104.16602	0.5
105.03395	11.7
107.04958	1.3
107.08569	0.5
128.26184	0.6
142.10356	0.8
144.55135	0.6
149.09529	0.6
157.10033	0.9
159.11667	0.6
167.08554	0.5
169.10135	0.9
179.08467	1.0
181.10114	0.7
183.11700	2.6
185.05748	1.2
185.09747	0.8
193.10161	1.0
195.11682	1.3
197.09763	0.6
207.11719	1.1
209.13286	6.0
211.11195	2.5
219.11703	0.8
225.12778	2.2
226.13474	0.7
229.12224	0.6
237.12762	3.6
254.13216	0.8
266.57196	0.7
277.12100	1.1
294.12192	1.1
295.13046	2.6
295.16672	0.7
337.14169	1.0
353.17120	4.3
354.14304	0.8
355.15250	2.2
413.19217	4.0
475.21048	1.0
476.17871	2.4
535.22998	1.3
595.25122	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	595.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
74.02035	1.0
77.03924	2.4
79.05480	5.5
91.05489	1.8
93.07014	2.4
95.04954	11.6
95.08614	1.4
100.80490	1.0
105.03392	100.0
105.04494	4.1
105.07037	12.5
107.04947	41.7
107.08579	1.8
108.05281	10.0
109.06493	1.8
109.10116	1.1
119.08562	6.1
120.08891	1.1
121.06490	2.5
123.08066	1.8
131.08537	2.2
133.06494	5.1
133.10109	4.3
135.08044	2.1
143.08530	5.7
145.06441	1.1
145.10130	1.2
147.08072	1.7
147.11555	1.2
149.05960	10.2
149.09615	2.0
150.06300	2.3
151.07498	1.9
155.08551	2.3
157.10114	5.5
159.08025	1.7
161.09595	7.1
165.07040	1.2
167.08563	1.7
169.10104	2.6
173.09520	1.9
179.08577	2.5
180.09206	1.4
181.10139	5.7
183.11623	1.7
193.10146	2.4
194.11797	28.6
195.11983	17.4
197.13371	1.5
199.11234	1.6
201.08955	1.2
206.10870	2.6
207.11748	4.5
208.12305	1.2
209.09636	2.3
209.13235	2.3
211.11156	2.3
213.12607	1.1
219.11713	1.7
221.13245	4.5
223.11205	6.7
223.14722	1.8
225.12758	1.7
227.14330	1.3
232.12604	1.3
234.10162	1.3
235.11111	1.7
235.14742	1.3
236.11958	2.0
237.16299	2.0
239.14377	2.1
247.14796	1.4
249.12740	4.8
250.13550	1.9
251.10588	1.6
251.14290	5.1
260.11945	1.9
263.14279	3.9
265.15839	10.4
275.14365	4.6
281.15424	4.0
283.17032	1.3
293.15286	11.5
311.16345	10.7
348.70697	1.0
371.18463	1.8
410.96881	1.1
415.18948	2.5
456.99069	1.1
467.77655	1.1
493.22202	4.8
535.23627	1.5
595.34515	50.8
605.36469	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	595.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70496	1.1
62.77967	1.1
64.25014	1.1
65.20255	1.1
69.74115	1.1
74.79708	1.2
77.03915	1.6
78.36294	1.3
81.07090	1.4
91.05483	2.1
93.07039	3.2
95.04955	8.9
103.08681	1.2
105.03395	100.0
105.04521	6.2
105.07012	9.7
105.17658	1.3
109.06494	1.6
119.08624	2.2
121.06541	2.5
121.10146	1.4
123.08117	2.0
131.08601	2.6
132.61356	1.4
133.06496	6.2
133.10175	4.9
135.08063	3.1
138.43239	1.2
143.08566	5.1
149.09601	2.6
151.07484	1.9
157.10049	1.9
159.08044	2.3
161.09575	9.8
169.10103	1.8
173.09761	1.6
181.10181	6.8
183.11832	1.6
187.07607	1.5
192.09430	1.8
193.10133	2.6
195.11670	6.8
199.11261	1.5
207.11743	3.0
209.09589	2.3
209.13342	1.6
211.11227	1.4
217.10095	2.1
219.11510	1.4
221.13251	2.5
223.11281	5.0
223.14868	5.4
225.12668	2.7
232.12560	2.6
235.11223	3.2
247.14813	2.6
249.12836	3.0
250.13852	2.1
251.14241	2.1
260.11929	2.6
263.14392	3.1
265.15909	6.9
275.14349	5.7
281.15457	1.5
283.17056	1.7
293.15289	11.4
311.16293	9.6
348.50726	1.7
371.18454	2.6
415.19183	4.8
433.20386	2.2
460.50201	1.3
475.21133	1.3
493.22278	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	595.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
58.27050	2.5
66.68240	2.4
69.03393	3.4
69.07059	5.9
69.70251	2.7
70.28901	3.1
72.93891	3.0
79.05470	3.8
81.07030	3.5
81.11150	2.5
81.80023	3.0
83.04977	2.8
84.73306	2.8
91.05452	3.4
93.07045	4.2
95.04962	3.8
95.08604	4.0
97.06522	13.4
105.03397	100.0
105.04469	4.6
105.07000	4.0
107.08669	4.0
108.29697	2.6
119.08581	3.7
121.06474	3.9
123.08038	4.0
127.03973	4.0
133.10135	3.4
139.03923	4.1
143.08559	11.5
155.08554	4.5
159.08080	7.1
161.09583	5.7
166.07866	3.9
167.08527	3.4
169.10100	5.8
171.08072	16.1
173.09631	6.6
175.07446	3.3
179.08510	5.7
181.10074	23.5
183.11728	6.2
185.09612	18.5
191.10669	11.5
193.10117	13.8
195.11682	15.1
196.08725	4.2
197.09576	29.1
197.13306	5.1
198.10457	5.9
199.11150	78.5
207.11687	16.2
209.09630	16.5
209.86676	3.2
210.10426	4.1
211.11194	88.9
212.08449	3.6
213.12791	4.8
223.11153	16.9
225.12709	44.9
227.10596	50.6
227.14195	4.9
235.11232	6.5
237.16389	5.1
239.14319	6.7
241.12061	3.7
241.15894	4.0
247.14925	5.2
250.13553	4.7
251.14265	4.4
253.12250	59.1
260.12000	3.4
260.21606	3.3
263.14236	4.8
265.15955	18.2
269.11679	25.4
269.15109	3.9
271.13254	27.9
275.14297	4.9
278.12967	3.4
283.16919	5.2
287.05496	6.1
293.15359	37.4
299.97327	3.2
311.16489	28.0
313.14389	37.7
329.17499	3.6
353.17459	6.2
371.18604	16.2
433.20383	3.3
434.66223	3.4
595.31775	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	595.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14501	1.4
56.99868	1.5
66.53646	1.5
67.34521	1.4
69.07082	3.1
92.18480	5.9
93.07063	2.5
95.04993	9.6
95.08594	2.7
97.06532	7.0
105.03393	100.0
110.31753	2.0
111.00809	1.6
121.06552	2.2
123.08062	3.9
127.03922	2.2
133.06593	2.6
135.27733	1.8
135.87361	1.7
143.08598	4.2
146.95164	1.8
147.08076	2.1
149.02408	2.5
157.10226	2.3
159.08090	3.6
166.07831	2.2
169.10097	2.4
171.08080	7.2
171.11761	2.2
179.08754	1.9
181.10188	10.7
182.10568	1.8
183.08099	3.0
183.11736	3.6
185.09717	2.8
187.07330	1.7
189.21906	1.8
191.10703	3.0
193.10165	2.8
195.11685	4.0
197.09663	7.7
197.13316	3.0
198.10457	2.9
199.11169	27.0
205.76115	1.9
207.11751	8.2
209.09685	6.6
210.10396	4.2
211.11159	33.9
215.10585	2.0
223.11237	8.8
223.14778	3.2
225.12730	17.7
227.10629	26.0
232.12639	2.3
235.11206	6.9
241.12244	3.2
247.14810	3.2
251.14442	3.0
253.12201	23.0
265.15872	3.5
269.11755	9.0
271.13333	8.3
275.14371	2.0
283.17004	2.8
293.15256	15.8
298.89471	1.9
311.16397	14.9
313.14383	9.6
353.17633	2.4
368.20615	1.7
371.18484	4.0
595.12750	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	595.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32737	2.6
53.03945	3.1
61.74354	2.7
66.33225	3.4
67.05498	4.5
79.05479	5.1
83.04962	3.9
87.43809	3.3
91.05479	7.2
92.69579	3.4
93.07028	7.6
95.04963	13.5
95.08611	5.2
96.60608	3.3
105.03392	100.0
105.07032	25.5
107.04951	21.9
107.08597	14.5
109.06534	4.3
109.10149	17.1
116.14443	3.1
117.07014	3.8
119.08567	22.1
121.06510	4.9
121.10147	13.3
123.08023	4.0
129.07013	6.1
131.08556	7.7
133.06483	20.3
133.10146	25.0
134.58778	3.2
135.08064	12.8
143.08585	13.0
145.10074	7.1
147.08055	15.2
147.11734	4.4
149.05986	6.9
149.09624	6.9
150.51353	3.2
153.51920	3.0
155.08521	6.1
157.10124	13.9
159.08096	13.7
159.11649	5.0
161.09639	16.3
163.11151	3.9
165.06961	3.3
167.08546	3.3
169.10123	6.1
171.08063	4.3
171.11685	5.6
175.07608	14.5
177.09102	3.3
181.10124	15.9
183.11653	13.4
193.10172	15.8
194.11763	7.6
195.08022	4.4
195.11819	20.5
197.09660	6.0
197.13268	5.4
206.10884	6.2
207.11772	25.0
209.13290	12.6
211.11177	6.0
219.11798	4.5
220.12498	6.9
221.13219	8.1
223.11313	5.2
223.14838	5.6
225.12691	6.7
232.12486	6.2
233.13164	4.1
234.14044	19.5
235.11166	5.9
235.14804	12.4
237.12616	6.6
237.16379	4.5
244.12401	3.8
247.14865	6.5
249.12669	4.2
249.16437	18.8
251.14232	7.7
262.13519	13.1
265.15839	21.3
267.17252	24.7
277.15906	50.7
285.18347	6.2
293.05618	4.8
293.15417	13.0
295.16949	38.1
311.16464	18.2
313.18060	13.8
337.17987	7.5
348.26221	3.3
355.19012	15.5
373.20386	5.2
415.20996	7.3
595.34418	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	596.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.7
76.03990	1.8
84.04515	19.0
92.17864	5.0
112.03966	25.0
114.13506	1.6
123.04424	6.8
127.03926	17.6
128.04251	3.1
129.06589	20.1
130.05005	100.0
131.33005	1.7
135.02603	3.0
139.03908	61.6
140.04234	3.9
151.03970	7.4
155.01630	18.5
163.02306	1.7
163.03900	18.9
179.01711	16.5
179.03162	3.6
183.01118	59.6
191.01598	11.5
191.03209	1.8
196.04308	2.7
203.01672	3.0
203.03395	2.4
208.04201	3.0
209.02647	25.5
226.05338	8.1
242.05736	2.6
246.04858	2.8
258.04678	2.7
260.06207	2.6
270.04883	2.1
281.06274	2.1
282.04373	4.4
287.05414	3.5
288.05930	8.1
303.03250	23.2
306.07068	2.1
312.05157	6.3
329.04623	3.6
329.08017	33.5
383.09021	3.4
426.09256	2.6
429.40646	1.9
440.11542	2.7
444.10504	2.7
449.10126	3.6
458.12311	43.2
467.11139	9.0
521.11609	6.7
552.79388	2.1
596.15405	70.5
606.97565	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	596.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.1
63.30914	2.2
67.03597	1.9
74.73449	2.1
84.04504	21.0
112.03964	22.3
127.03870	16.2
129.06525	15.7
130.04991	100.0
139.03911	64.2
151.03946	5.0
155.01595	22.1
163.02151	3.3
163.03889	21.8
179.01616	17.9
181.03217	3.2
183.01106	45.1
191.01630	14.0
191.03252	2.7
196.04271	2.6
203.01682	4.3
207.01204	3.2
208.04306	4.1
209.02654	24.1
218.02786	2.5
218.33878	2.0
226.05264	5.0
242.05708	3.1
282.04346	4.4
288.05499	2.5
303.03250	23.5
311.06885	2.8
312.05240	2.9
329.04593	4.3
329.07993	39.1
383.09079	5.5
449.09891	8.0
458.12213	56.0
467.10712	4.9
521.12347	4.5
596.15393	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21895	3.1
69.07045	4.9
75.00392	3.7
79.05511	6.7
81.03426	4.6
81.07042	13.8
83.05003	3.9
91.05475	16.0
92.17924	6.6
93.07025	21.2
95.04955	4.0
95.08571	7.2
105.07021	57.2
107.04949	22.0
107.08591	25.9
109.06544	8.6
109.10172	5.6
117.07017	6.8
119.08584	54.8
121.10147	8.2
123.08114	6.0
125.31567	3.3
128.06189	6.6
129.06985	5.1
131.08559	18.0
133.06497	6.6
133.10129	100.0
133.11069	4.8
135.08020	36.7
137.09633	6.6
142.07843	3.3
143.08539	47.2
145.10138	18.9
147.08090	8.3
147.11652	41.1
149.09616	5.8
153.57654	4.2
155.08551	15.6
157.10114	25.1
159.08092	4.2
159.11659	15.8
161.09650	45.7
167.08527	4.8
168.09418	6.2
169.10141	22.1
171.11639	25.2
173.13211	8.4
175.11188	5.8
181.10056	24.1
183.11726	18.3
185.13287	7.0
187.11259	4.7
192.16125	3.6
193.10112	6.1
194.11835	7.6
195.11711	30.8
197.09517	4.2
197.13261	21.0
199.11105	4.2
199.14726	4.3
206.10918	5.3
207.11703	20.2
208.12448	8.4
209.13222	26.3
211.14815	4.7
219.11685	8.5
220.12419	6.3
221.13258	27.5
222.13918	5.4
223.10994	4.7
223.14877	14.0
225.12773	6.3
227.14189	5.2
233.13258	7.4
235.14857	8.4
236.72923	3.9
237.12679	4.4
237.16315	15.4
239.14276	8.9
246.14027	14.6
248.15709	8.3
251.17984	15.7
253.19505	6.2
261.16418	17.8
263.17902	35.7
279.17484	66.8
281.18997	40.8
297.18497	25.3
299.20013	8.8
321.18423	4.4
339.19510	19.3
341.21094	24.0
357.20639	6.5
387.47070	3.9
388.44879	4.0
399.21628	7.5
401.23282	70.0
417.22739	6.7
501.24661	7.9
596.35352	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	596.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25639	2.6
51.20242	2.7
55.05521	27.9
57.56342	3.8
69.03402	3.9
71.57269	3.0
71.58590	3.0
79.05498	3.8
81.03415	6.0
81.07077	6.7
83.04982	100.0
86.29050	3.1
91.05464	23.7
93.07039	16.5
95.04966	7.5
95.08618	20.1
97.06554	26.3
105.07051	40.5
107.04958	25.5
107.08605	32.8
109.06509	14.0
111.04433	13.7
111.08080	5.0
117.06985	6.9
119.04961	4.9
119.06056	3.6
119.08594	34.3
119.51504	3.3
119.78266	3.5
121.06517	21.2
121.10127	15.2
123.08072	23.0
131.08563	12.9
133.06493	15.1
133.10127	95.5
135.08047	62.0
137.06003	6.2
137.09596	17.7
143.08563	26.4
145.06488	15.4
145.10150	29.7
147.08028	14.1
147.11725	15.4
149.05896	4.1
149.09579	14.4
152.68744	3.3
155.08530	7.4
157.10144	26.1
159.08060	6.7
159.11687	21.3
161.09604	68.2
163.07466	25.4
163.11168	4.8
165.06926	4.3
165.09143	6.1
169.10078	25.2
171.11685	18.0
173.09647	8.3
173.13290	20.9
175.11221	14.8
179.10638	8.0
181.10121	5.7
183.11674	25.6
185.09622	13.2
185.13300	8.6
187.11200	6.6
193.10129	13.7
194.11792	7.5
195.11684	15.1
197.13312	22.1
198.13971	4.9
199.11136	7.8
199.14856	6.8
201.09248	5.4
201.12650	4.4
203.10677	5.3
206.10832	6.8
207.11732	7.7
209.13283	15.7
211.11186	7.5
211.14807	21.0
213.12744	14.9
215.10742	4.5
221.13327	16.1
223.11275	5.3
223.14850	14.9
225.16409	7.0
227.14345	4.8
235.14838	14.3
237.16315	6.9
239.14307	13.8
239.17961	5.5
243.17490	13.6
248.15486	6.2
251.14441	3.8
251.17798	4.8
253.15828	39.8
255.13834	5.1
263.14383	13.5
263.17868	22.4
271.16928	26.1
279.17410	8.2
281.15326	43.2
281.18576	46.4
297.18512	14.0
299.16470	74.6
299.20078	18.4
301.07953	3.9
339.19580	4.5
341.17279	11.8
341.21115	43.1
359.18491	38.0
359.22250	4.8
401.23349	49.0
419.20483	13.8
459.23584	7.0
479.22372	27.4
519.25458	38.8
579.27740	33.1
596.34839	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	596.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48205	1.8
51.68316	1.2
64.72892	1.3
66.90884	1.6
67.05500	2.4
69.07042	1.6
72.04503	2.4
79.05498	10.5
79.71495	1.4
81.07056	2.9
91.05479	3.2
93.07027	6.8
95.04948	1.7
95.08626	13.2
105.07030	11.8
107.04953	100.0
107.08584	6.5
108.05300	3.5
108.33220	1.4
109.06509	1.7
109.10179	3.0
119.08595	11.9
119.90852	1.4
120.08110	3.3
121.10152	7.3
123.08075	13.7
131.08566	3.0
133.10138	3.7
134.09650	33.4
135.11736	1.7
143.08571	6.6
145.10101	8.6
147.08066	2.3
149.06004	20.9
150.06306	1.7
156.54301	1.5
157.10124	3.2
161.09668	1.6
163.11162	2.4
169.10141	3.2
169.19844	1.5
171.11665	2.0
173.09586	2.4
180.10208	40.0
183.11615	1.5
194.11775	53.8
195.11916	7.3
196.12462	2.0
197.13206	2.3
207.11769	2.0
209.13281	7.1
213.12721	1.8
223.14775	2.2
251.17993	3.4
269.18988	1.9
271.16940	9.1
428.41422	1.5
444.28436	2.2
476.31937	3.7
536.33655	3.3
596.32257	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48205	1.8
51.68316	1.2
64.72892	1.3
66.90884	1.6
67.05500	2.4
69.07042	1.6
72.04503	2.4
79.05498	10.5
79.71495	1.4
81.07056	2.9
91.05479	3.2
93.07027	6.8
95.04948	1.7
95.08626	13.2
105.07030	11.8
107.04953	100.0
107.08584	6.5
108.05300	3.5
108.33220	1.4
109.06509	1.7
109.10179	3.0
119.08595	11.9
119.90852	1.4
120.08110	3.3
121.10152	7.3
123.08075	13.7
131.08566	3.0
133.10138	3.7
134.09650	33.4
135.11736	1.7
143.08571	6.6
145.10101	8.6
147.08066	2.3
149.06004	20.9
150.06306	1.7
156.54301	1.5
157.10124	3.2
161.09668	1.6
163.11162	2.4
169.10141	3.2
169.19844	1.5
171.11665	2.0
173.09586	2.4
180.10208	40.0
183.11615	1.5
194.11775	53.8
195.11916	7.3
196.12462	2.0
197.13206	2.3
207.11769	2.0
209.13281	7.1
213.12721	1.8
223.14775	2.2
251.17993	3.4
269.18988	1.9
271.16940	9.1
428.41422	1.5
444.28436	2.2
476.31937	3.7
536.33655	3.3
596.32257	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45127	3.8
62.05941	3.8
67.05499	18.0
69.03416	5.5
69.07057	14.2
78.35715	3.5
79.05485	15.3
81.07065	31.6
83.04913	3.5
85.02895	59.5
91.05453	17.2
92.17889	7.7
93.07050	43.6
95.08597	48.4
97.02890	20.0
97.06472	5.1
97.30161	4.3
105.07030	46.9
107.08586	56.1
109.10156	72.4
117.07009	15.3
119.08563	39.5
121.10175	24.6
123.11676	5.2
125.09624	7.8
125.31994	3.5
127.03900	7.5
130.97949	3.4
131.08560	29.6
133.10121	33.3
135.11665	34.1
145.04935	12.7
145.10130	74.6
147.11697	7.6
149.13289	4.2
159.11691	63.0
161.13235	24.1
163.11133	8.4
173.13260	16.5
174.91737	4.0
191.17863	4.3
199.14825	4.1
201.16362	100.0
219.17451	67.0
237.18437	17.0
288.05487	3.3
363.21701	4.3
381.22455	4.1
396.32855	3.4
417.37244	4.4
430.42303	3.6
475.48740	3.6
591.50684	3.5
596.25366	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	596.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42645	1.4
60.72274	1.3
63.03292	1.4
73.98308	1.7
75.13669	1.3
78.71144	1.2
79.05511	9.6
81.07033	2.9
88.34772	1.4
91.05464	5.2
93.07020	6.2
93.94365	1.4
95.08571	3.2
95.12672	1.3
103.22866	1.7
105.07038	15.3
107.04954	94.2
107.05688	3.1
107.08599	8.6
108.05273	1.5
109.06468	2.4
109.10101	1.8
111.04440	1.5
119.04913	1.4
119.08578	11.1
119.09378	1.3
121.10152	5.1
123.08100	5.6
131.08540	2.8
133.06490	6.9
133.10117	23.8
134.09654	1.9
135.08058	14.9
137.09552	1.5
141.06877	1.7
143.08574	7.7
145.10141	6.9
147.11684	2.9
149.05963	18.2
149.09676	1.3
155.08554	2.9
157.10147	10.6
159.11668	6.3
161.09608	7.8
169.10159	2.8
171.11662	6.5
173.09644	2.0
173.13229	3.0
179.10561	1.4
181.10040	4.7
183.11700	7.4
185.13295	3.0
193.10165	3.0
194.11757	100.0
195.11722	6.6
197.13251	12.2
206.10841	1.7
207.11685	5.9
209.13185	1.9
211.14813	2.6
221.13271	5.7
223.14822	7.1
227.14755	1.6
235.14986	1.9
237.16336	2.0
239.14320	2.2
239.17990	5.2
248.15475	2.9
253.19524	2.1
263.17938	20.5
281.19040	20.4
297.65591	1.7
338.23572	1.6
341.21069	26.9
343.96680	1.7
350.60995	1.7
401.23099	10.2
596.35632	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71288	1.1
67.55638	1.2
69.07050	1.2
70.75741	1.1
77.65467	1.1
79.05476	2.6
81.07050	2.9
84.38574	1.1
87.82959	1.1
91.05468	15.6
93.07046	5.1
95.04929	4.6
95.08609	4.6
100.16578	1.2
105.07027	18.2
107.04955	25.5
107.08586	5.1
109.10162	2.1
115.05383	1.9
116.97332	1.4
117.06990	2.2
119.08543	10.3
121.10112	2.6
128.06174	3.1
129.06970	2.4
131.08556	100.0
133.06480	2.9
133.10110	34.0
135.08005	3.0
135.11697	1.8
143.08560	20.4
145.10115	8.2
147.11685	1.3
149.06033	2.9
155.08580	6.0
157.10114	9.3
159.11644	6.6
161.09564	12.0
167.08577	1.7
169.10095	5.8
171.11699	5.2
179.08517	1.3
181.10130	3.2
183.11661	8.5
192.09328	1.5
193.10117	5.6
194.11772	15.9
195.11717	5.4
197.13263	6.3
207.11586	9.4
209.13222	7.1
221.13271	7.3
233.13086	4.1
237.16296	1.6
251.17947	13.5
253.19589	3.1
263.17947	10.1
281.18958	24.9
299.20044	6.4
308.00909	1.4
341.21051	8.4
401.23050	9.4
459.27307	2.3
596.34723	14.2
611.82629	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	596.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02139	3.8
52.37572	2.9
55.05487	4.1
62.10908	3.4
65.00842	3.1
67.05486	4.0
69.07073	4.8
72.48112	3.0
73.03365	3.5
79.05490	9.1
81.07079	15.1
91.05481	8.3
92.14661	3.9
93.07029	33.7
95.04971	23.6
95.08616	20.9
97.06530	4.4
105.07021	49.0
107.04974	28.9
107.08590	49.1
109.06532	18.2
109.10159	17.0
117.07032	6.1
119.08571	86.0
121.10120	42.0
123.08025	6.7
123.11675	27.3
131.08568	24.8
133.06509	7.8
133.10107	62.6
134.09729	4.2
135.08047	81.2
135.11690	23.5
137.09622	24.3
142.07770	5.2
143.08546	35.4
145.10120	42.6
147.08043	6.5
147.11682	15.5
149.06027	4.2
149.09608	14.2
155.08583	7.4
157.10139	32.9
159.08087	4.9
159.11699	25.6
161.09601	17.3
161.13289	5.5
163.11113	27.9
169.10117	15.4
171.11685	22.3
173.09584	9.0
173.13235	22.8
175.11133	16.3
179.08710	4.4
181.10170	17.2
183.11690	29.7
185.09590	4.8
185.13214	5.7
187.11237	9.1
193.10048	6.9
194.11807	29.1
195.11673	26.0
197.13278	18.7
199.14871	8.6
206.11072	5.8
207.11638	15.0
209.13216	14.9
211.11252	4.2
211.14787	15.5
213.12737	4.7
220.12514	5.1
221.13249	14.7
222.14087	7.1
223.14799	13.8
225.12714	8.8
237.16394	22.2
239.14374	6.6
248.15717	5.3
251.17850	5.4
253.19487	7.4
263.18036	19.8
279.17386	18.7
281.19003	100.0
294.86084	3.6
297.18518	5.5
299.20081	24.8
341.21045	49.3
401.22937	7.5
413.87442	3.8
438.46774	4.0
501.24670	4.2
596.34900	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	596.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
57.29856	3.5
57.63783	3.6
65.70927	3.4
67.05482	3.4
69.03416	3.7
79.05493	12.7
79.25322	3.3
79.60052	3.5
81.07044	20.2
91.05482	8.1
93.07039	21.1
95.04932	4.5
95.08606	17.5
96.42014	3.6
105.07024	36.3
107.08578	20.8
109.06496	4.8
112.80157	3.7
119.08573	22.2
121.10105	15.1
123.44416	3.8
131.08571	23.6
133.06473	6.2
133.10124	83.8
135.08060	15.4
143.07533	3.6
143.08574	20.5
145.10121	30.5
147.08022	4.9
147.11682	7.2
149.09575	6.4
155.08542	7.2
157.10133	19.2
159.11644	25.6
161.09607	36.0
169.10107	16.4
171.11679	27.5
173.13203	6.9
179.10620	7.3
181.10056	4.9
183.11708	22.7
185.13258	5.6
193.10170	6.3
195.11716	15.5
197.13290	16.7
199.11208	3.9
206.10876	7.9
207.11736	17.9
208.12425	4.4
209.13269	14.7
211.14813	6.5
221.13181	27.9
223.14850	5.5
225.12793	5.5
225.16417	3.5
233.13339	16.2
234.13963	3.3
237.16331	8.2
248.15550	14.1
251.17963	13.2
253.19522	19.7
261.47128	3.8
263.17902	32.3
281.18979	100.0
281.21948	4.6
299.20035	21.0
323.20129	4.4
341.21243	35.6
348.83075	3.7
401.23154	24.2
439.72430	3.7
459.27167	17.9
596.34027	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	596.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
56.19508	1.1
59.04993	5.5
60.60733	1.2
72.56733	1.2
73.06544	1.1
83.04977	27.3
91.05460	1.5
93.07031	6.8
95.04918	1.1
95.08561	1.7
101.06017	6.1
103.14641	1.1
105.07044	4.6
107.08586	7.5
109.06503	1.6
114.24934	1.1
119.08553	9.2
131.08603	1.7
133.06549	1.4
135.08040	12.4
143.07027	2.4
143.08554	2.3
145.10074	3.9
147.08060	1.6
147.11670	1.2
157.10106	6.1
159.07965	1.2
159.11694	1.5
161.09584	1.8
163.11195	1.7
169.10136	2.1
171.11723	5.0
181.10133	4.1
183.11714	1.9
185.09610	2.1
185.13144	1.4
191.40289	1.1
195.11731	2.6
197.13222	1.7
207.11674	4.8
209.13136	1.4
213.16374	2.3
221.13210	2.0
223.14832	5.7
226.13466	8.0
232.18840	1.2
235.14899	1.3
239.14278	2.7
241.15842	100.0
263.18015	12.0
266.16730	2.3
281.18942	23.7
283.16824	4.4
297.30002	1.2
299.20038	5.3
301.18008	2.3
323.19943	12.0
341.21112	7.0
383.22202	1.3
475.49112	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	596.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06095	6.9
81.07020	4.6
91.05472	4.7
91.70737	3.2
93.07038	8.7
95.04945	4.8
95.08598	8.6
98.55461	3.7
104.89399	3.7
105.07002	6.4
107.08604	18.1
109.06535	6.6
109.10133	4.3
110.09853	3.2
111.08062	4.4
119.08574	29.2
120.01810	3.8
121.10143	17.1
123.08092	5.6
131.08548	7.4
133.10106	23.3
135.08076	17.1
135.11653	3.6
143.08533	9.2
145.06483	100.0
145.10110	8.2
147.08067	6.7
149.09657	5.0
155.08702	4.9
157.10129	8.0
159.11696	8.2
161.09608	19.9
163.07532	20.7
169.10141	6.4
171.11656	7.9
181.10114	7.0
183.11685	8.4
185.13327	4.7
195.11732	7.5
197.13284	15.0
199.11140	5.3
205.08647	15.0
209.13254	6.2
211.14761	12.9
221.13220	14.8
225.12753	4.8
237.16368	5.1
239.14258	16.1
239.17903	7.3
244.65781	5.2
255.17401	4.8
257.15338	4.7
265.19672	6.7
267.17505	26.4
269.18970	6.4
279.17520	5.8
285.18604	5.2
293.13693	8.7
297.18463	35.3
299.16470	5.3
315.19537	28.6
327.19565	23.5
357.20706	15.9
363.45224	4.5
449.74936	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	596.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	7.2
79.05477	3.6
81.03405	8.2
81.07055	6.7
87.32140	1.8
91.05470	10.3
92.18375	1.8
93.07044	20.0
95.04987	12.2
95.08593	11.9
105.07034	16.7
107.08595	14.4
109.10148	10.6
111.08134	2.2
117.07008	7.5
119.08567	32.9
121.10146	7.3
129.06981	2.2
130.07779	2.6
131.08540	3.5
133.06419	1.9
133.10123	100.0
135.08054	17.3
135.11684	3.2
137.09639	3.3
143.08568	6.7
145.10130	59.6
145.11197	3.5
147.11674	10.3
157.10138	10.6
159.11685	12.8
161.09587	19.7
163.11153	15.9
169.10114	9.6
171.11667	11.1
173.13283	3.9
175.74857	1.7
181.10133	7.6
183.11673	11.4
185.13223	3.7
189.12758	2.9
194.11006	3.1
195.11676	14.7
197.13263	6.9
209.13173	14.1
223.14839	18.7
250.17268	3.4
265.16721	3.7
265.19501	68.4
283.20587	12.0
325.21713	10.0
343.22726	3.8
361.38553	1.9
385.23804	24.0
519.29236	1.9
596.34088	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	596.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.9
72.04514	11.3
73.65809	1.1
76.02776	0.8
79.05483	9.2
81.07053	1.2
89.54265	1.0
91.05470	4.8
92.62376	0.9
93.07046	1.8
95.04982	1.0
95.08595	4.8
97.37991	0.9
105.03390	17.6
105.04502	1.0
105.07012	6.2
107.04950	100.0
107.08589	2.0
109.10176	1.5
110.05678	1.0
119.08578	3.9
121.10128	3.5
121.84882	1.1
123.08086	1.5
129.07011	0.8
131.04892	0.9
131.08592	3.6
133.10155	2.1
134.09644	59.1
137.09581	1.5
143.08549	4.1
145.10086	3.9
147.20251	1.0
149.05965	21.2
155.08463	1.8
157.10161	1.5
159.11786	1.6
169.10161	1.1
171.11697	1.6
179.08560	1.2
180.10167	4.4
181.10162	2.0
185.13306	1.0
186.96381	1.0
191.08617	1.4
192.10207	0.9
194.11755	88.4
195.11871	2.2
197.13229	1.6
206.10934	5.3
210.11340	1.3
221.13246	4.6
223.14886	1.0
238.84175	1.0
283.20523	1.7
403.18872	1.2
476.31485	7.6
493.16086	1.0
536.33807	9.0
596.30951	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16497	1.1
67.05505	1.2
72.04513	11.9
76.80022	1.1
79.05481	7.1
81.07065	1.4
91.05469	4.5
93.07031	2.2
95.04992	1.4
95.08591	5.4
100.55186	1.0
103.22711	1.1
105.03412	12.9
105.07042	4.8
107.04954	100.0
107.08557	2.2
119.08566	7.0
121.10089	2.1
123.08037	1.9
131.08554	2.0
133.10152	4.8
134.05490	1.0
134.08617	2.2
134.09651	63.1
135.11700	1.2
136.57881	1.2
137.09619	1.3
142.00679	1.0
143.08594	4.2
145.10104	2.5
147.07954	1.1
149.05975	16.1
155.08635	1.3
157.10078	2.6
169.10022	1.4
171.11670	1.6
176.10735	1.3
180.10194	8.6
181.10164	1.3
183.11806	2.4
192.10161	1.6
194.11758	90.0
195.11916	1.6
197.13266	1.2
206.10921	1.7
209.13249	1.6
211.14825	1.6
221.13315	4.5
223.15038	1.2
225.16331	1.3
271.17010	1.3
280.46524	1.1
283.20462	1.3
429.74564	1.1
444.44751	1.2
476.31406	8.5
536.33606	10.0
596.31311	16.7
608.75177	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04630	0.5
57.43589	0.5
60.73560	0.5
63.83521	0.5
67.05489	0.6
79.05486	6.5
88.42986	0.5
91.05484	1.1
93.07009	2.1
95.08606	0.7
105.07030	2.9
107.04953	75.4
107.08530	1.1
108.68225	0.5
118.02963	0.5
118.24877	0.5
119.08558	3.8
121.10132	2.8
123.11729	0.7
125.42393	0.7
131.08548	1.2
133.10138	2.1
134.09674	4.3
135.11710	0.9
143.08571	1.1
145.10100	2.0
147.08026	0.6
147.11679	2.3
149.05966	17.1
157.10149	2.4
159.11682	2.3
167.08553	0.6
169.10138	0.8
171.11684	1.0
181.10124	2.3
183.11676	0.6
194.11765	100.0
195.11894	1.2
197.13330	0.6
209.13194	0.9
223.14801	2.5
235.14594	0.7
245.29039	0.5
250.17207	0.9
265.19458	4.1
283.20535	1.2
291.64948	0.5
293.67661	0.5
343.22617	0.6
355.49896	0.5
401.56253	0.6
596.35681	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	596.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14389	0.9
60.28606	1.0
63.83941	0.9
70.89524	1.0
72.03827	1.1
72.04490	1.2
73.73469	1.1
79.05483	2.7
92.18534	1.5
92.28148	1.3
93.07053	1.2
105.07070	2.2
107.04951	87.2
131.08653	1.3
133.10167	1.3
134.09648	23.9
147.11620	1.4
149.05978	18.1
158.22234	1.2
171.11673	1.3
194.11752	100.0
223.15091	1.2
283.20602	2.2
450.03882	1.1
476.31628	1.5
496.73935	1.4
536.33704	19.8
596.35583	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	596.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30842	0.6
59.75471	0.7
71.08836	0.7
72.04523	11.5
79.05488	6.0
80.24886	0.6
81.07068	1.0
91.05452	1.3
93.07025	4.6
95.04949	1.1
95.08604	4.7
105.07071	5.6
107.04957	99.2
107.08590	1.7
109.10143	1.6
119.08594	5.2
121.10130	3.7
123.11684	0.7
131.08569	1.1
133.10118	4.4
134.09653	73.2
137.09625	3.2
143.08585	1.4
145.10133	3.2
149.05974	19.2
151.34987	0.9
156.09286	0.8
157.10118	3.8
159.11691	1.6
161.09608	0.7
169.10089	1.8
171.11638	1.5
173.13306	1.0
176.10732	1.8
180.10263	1.6
183.11667	1.2
185.13345	1.3
192.10175	3.2
194.11766	100.0
195.11787	0.8
197.13268	1.1
199.14851	0.9
209.13213	1.1
211.14806	1.0
223.14731	0.8
225.16347	1.1
265.19513	0.9
283.20584	3.0
289.29822	0.8
388.12903	0.8
400.67712	0.9
476.31436	10.8
536.33765	12.4
596.35858	13.7
600.45935	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	596.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89057	1.1
51.50892	0.9
54.41916	1.0
55.74757	1.0
61.53433	1.0
63.60400	1.1
67.48166	1.0
72.04514	2.0
79.05489	6.3
86.93044	1.1
105.07040	2.1
107.04955	90.4
119.08550	1.5
121.10120	1.8
128.22192	1.1
131.08537	1.4
134.09656	27.8
136.76422	1.1
149.05974	21.2
157.10211	1.3
164.55209	1.3
169.45512	1.1
194.11768	100.0
280.41171	1.4
283.20404	2.1
431.52496	1.2
476.31760	2.5
536.33661	15.5
596.35944	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03120	0.4
54.14336	0.4
69.07066	0.5
73.87809	0.7
79.05492	6.2
91.05452	0.7
93.07011	0.7
95.08627	0.5
105.07018	2.6
105.60691	0.5
107.04953	85.1
107.08591	0.9
108.05276	1.2
108.47056	0.5
109.10101	0.9
116.78326	0.4
119.08553	2.2
121.10117	0.5
131.08554	1.0
133.10110	2.0
134.09619	3.2
143.08511	0.5
145.10013	0.7
145.26958	0.5
147.11627	1.1
149.05975	15.2
150.06282	0.6
157.10095	1.2
159.11711	0.7
183.11641	0.8
194.11758	100.0
195.12003	1.1
196.79591	0.5
197.13281	0.6
203.74333	0.5
209.13249	1.0
223.14738	0.9
265.19424	2.0
283.20425	0.7
317.91052	0.6
596.35645	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92924	1.2
72.04519	7.6
79.05495	10.8
81.07051	7.8
91.05471	2.8
93.07037	8.6
95.04981	1.7
95.08604	9.4
104.80249	1.4
105.07032	8.2
107.04960	100.0
107.08597	6.2
109.06512	1.7
109.10144	2.3
119.08567	9.9
120.08078	6.7
121.10137	2.2
123.08053	6.7
125.29286	1.7
131.08598	2.6
133.10068	3.0
134.09653	46.0
135.11713	5.8
137.09579	2.0
143.08569	3.7
145.10152	7.2
147.08080	2.0
149.05963	25.1
157.10144	6.1
159.11662	3.0
169.10123	2.1
171.11734	6.1
180.10204	33.4
181.12242	1.9
183.11642	2.8
185.13264	2.6
194.11766	72.1
195.11771	7.4
197.13168	1.5
209.13271	3.1
251.17986	3.0
259.20465	1.7
269.19250	1.6
271.16925	7.4
283.20523	2.1
381.60052	1.8
476.31552	6.2
536.33594	7.1
541.08881	2.0
596.32196	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	596.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05513	6.1
86.20335	0.8
86.33290	0.9
105.07019	1.7
107.04954	88.3
134.09641	4.4
149.05962	18.5
177.23373	0.9
183.98875	0.8
194.11763	100.0
431.86652	1.0
596.35760	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.15186	1.2
58.66854	1.0
69.07063	1.3
69.60727	1.1
70.80126	1.4
76.00647	1.2
79.05486	5.5
79.36467	1.2
81.07059	1.6
86.88900	1.2
91.05510	2.0
93.07027	2.0
95.04961	1.5
97.10117	1.7
105.07031	7.0
105.69026	1.3
107.04948	87.3
107.08589	2.6
109.10213	1.8
112.56963	1.3
119.08524	8.5
121.10144	5.1
121.31064	1.2
131.08551	4.7
133.10109	5.3
135.11690	2.7
143.08582	2.5
145.10074	4.8
147.08060	6.0
147.11668	5.4
149.05960	18.5
155.08524	2.9
157.10121	6.0
159.11694	2.8
161.13336	1.5
169.10110	6.1
171.11678	2.8
183.11711	8.0
185.09637	1.5
185.13235	1.4
194.11768	100.0
195.11751	1.9
197.13321	5.4
199.14946	1.4
209.13255	1.7
223.14856	2.5
225.16415	2.6
253.19519	6.7
265.19479	1.4
267.12216	1.2
283.20529	7.0
343.22861	1.6
402.16696	1.4
596.35809	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74126	0.8
67.05509	1.1
72.04520	13.5
73.76530	0.8
79.05491	6.3
81.07034	1.0
88.79843	0.8
91.05480	1.2
92.17871	2.0
93.07034	1.6
95.08602	1.1
98.72198	0.9
105.03386	1.5
105.07021	4.7
107.04953	86.5
107.08589	1.2
109.10162	1.6
119.08573	1.8
121.10127	2.0
122.59619	1.0
133.10164	3.3
134.09650	69.5
143.08562	1.8
144.34920	1.0
145.10117	1.8
147.11676	1.0
149.05960	15.3
155.08621	1.4
156.09331	1.0
157.10161	1.9
169.10115	1.1
171.11674	2.0
180.10229	2.2
183.11652	1.7
185.13144	1.2
192.10158	1.7
194.11761	100.0
265.19424	1.2
283.20557	2.1
333.10199	1.0
355.25049	1.0
409.18069	1.0
476.31635	9.1
536.33630	13.1
596.36102	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92924	1.2
72.04519	7.6
79.05495	10.8
81.07051	7.8
91.05471	2.8
93.07037	8.6
95.04981	1.7
95.08604	9.4
104.80249	1.4
105.07032	8.2
107.04960	100.0
107.08597	6.2
109.06512	1.7
109.10144	2.3
119.08567	9.9
120.08078	6.7
121.10137	2.2
123.08053	6.7
125.29286	1.7
131.08598	2.6
133.10068	3.0
134.09653	46.0
135.11713	5.8
137.09579	2.0
143.08569	3.7
145.10152	7.2
147.08080	2.0
149.05963	25.1
157.10144	6.1
159.11662	3.0
169.10123	2.1
171.11734	6.1
180.10204	33.4
181.12242	1.9
183.11642	2.8
185.13264	2.6
194.11766	72.1
195.11771	7.4
197.13168	1.5
209.13271	3.1
251.17986	3.0
259.20465	1.7
269.19250	1.6
271.16925	7.4
283.20523	2.1
381.60052	1.8
476.31552	6.2
536.33594	7.1
541.08881	2.0
596.32196	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	596.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03120	0.4
54.14336	0.4
69.07066	0.5
73.87809	0.7
79.05492	6.2
91.05452	0.7
93.07011	0.7
95.08627	0.5
105.07018	2.6
105.60691	0.5
107.04953	85.1
107.08591	0.9
108.05276	1.2
108.47056	0.5
109.10101	0.9
116.78326	0.4
119.08553	2.2
121.10117	0.5
131.08554	1.0
133.10110	2.0
134.09619	3.2
143.08511	0.5
145.10013	0.7
145.26958	0.5
147.11627	1.1
149.05975	15.2
150.06282	0.6
157.10095	1.2
159.11711	0.7
183.11641	0.8
194.11758	100.0
195.12003	1.1
196.79591	0.5
197.13281	0.6
203.74333	0.5
209.13249	1.0
223.14738	0.9
265.19424	2.0
283.20425	0.7
317.91052	0.6
596.35645	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	596.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27954	0.9
52.60556	0.9
72.04515	2.5
72.63911	1.1
76.46234	1.2
79.05487	7.0
81.03407	1.5
81.07047	1.6
91.05495	2.0
91.65766	1.1
93.07066	2.3
95.04971	4.5
105.03394	42.5
105.04519	1.9
105.07025	2.0
106.03730	7.9
107.04958	100.0
107.08609	1.6
119.08559	2.1
121.10188	1.6
126.07105	1.1
131.08530	1.4
133.10138	2.4
134.09650	25.7
135.21539	1.2
137.86009	1.3
143.08621	1.2
149.05962	17.1
157.10130	1.5
169.10194	1.9
171.11574	1.1
183.11646	1.3
185.13264	1.4
194.11772	92.3
210.11179	1.3
255.20634	1.1
291.44525	1.3
293.14920	1.4
319.80832	1.3
536.33551	15.2
596.36108	17.5
621.28925	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	597.1393
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
54.15828	0.6
56.14386	0.7
63.86367	0.6
70.96578	0.8
73.64733	0.7
76.64417	0.8
79.99374	0.7
81.07072	0.7
107.04941	1.7
135.04410	15.5
146.70724	0.8
151.95471	0.8
175.07646	0.7
183.02864	1.5
195.12135	1.0
248.76270	0.7
283.05896	1.2
303.05060	2.8
377.69922	0.7
415.11777	3.9
417.09616	0.9
431.04062	0.9
447.07220	3.7
465.08142	1.2
480.12225	1.7
536.10779	5.9
551.09790	3.8
553.11407	1.0
564.10504	1.5
565.11316	8.6
581.10913	4.6
582.11304	4.8
597.13885	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	597.1452
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01878	0.3
57.03432	1.3
61.02900	0.6
63.24203	0.3
65.95759	0.3
66.73978	0.3
69.03428	2.4
73.02924	6.3
73.80108	0.3
83.14399	0.3
84.38705	0.3
85.02910	5.3
97.02877	3.4
109.02829	0.4
115.03894	1.5
120.98455	0.3
127.03913	1.2
127.89076	0.3
133.04948	1.2
145.04939	1.7
183.02875	0.3
190.04214	0.3
207.34041	0.3
303.04968	100.0
435.09149	0.6
465.10449	3.0
582.06335	0.4
591.87231	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	597.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45612	0.2
55.20496	0.3
71.90463	0.3
80.91708	0.3
92.17819	0.5
95.95097	0.3
104.13786	0.3
105.03362	0.4
107.04893	0.4
123.95983	0.3
135.04411	11.1
165.05377	0.4
189.05379	0.3
303.04800	0.7
358.08331	2.8
374.07794	1.3
389.10202	0.7
390.07419	2.7
393.09949	0.6
403.08017	3.6
412.35605	0.3
417.09647	3.8
420.08325	1.1
435.10724	100.0
597.16052	27.3
604.09021	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	597.1606
Annotation	Bulbineloneside A
Peak:m/z	Relative Intensity
55.12637	0.1
91.72813	0.2
100.87299	0.2
105.01397	0.2
105.03285	0.2
107.04896	0.3
122.93588	0.2
134.03139	0.2
135.04405	10.5
154.43581	0.2
155.39597	0.2
158.21515	0.2
165.05403	0.8
189.05342	0.4
303.04865	1.1
358.08276	3.1
374.07690	1.0
375.08792	0.2
387.08362	0.3
389.10129	1.5
390.07242	2.7
393.10071	0.6
403.08051	3.3
417.09604	3.0
420.08368	0.9
435.10703	100.0
465.87228	0.2
515.12231	0.2
583.32269	0.2
597.16003	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2309
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
56.51502	0.6
60.56833	0.7
67.21484	0.6
73.89768	0.6
85.02872	1.3
89.68669	0.7
148.44624	0.8
175.03665	22.0
189.05165	0.8
204.07608	1.7
217.08257	1.0
219.06334	1.8
303.05075	7.0
330.53555	0.7
385.12595	7.3
399.14105	10.1
401.53720	0.9
427.98621	0.7
477.53830	0.8
597.23004	100.0
610.14429	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	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
51.21389	3.3
67.05483	5.2
69.14176	3.9
74.28866	3.8
83.82986	4.3
84.28883	4.6
84.34872	4.2
105.07069	4.6
117.65224	4.9
118.01274	4.2
118.27441	4.6
119.08584	4.7
133.10043	3.9
247.09618	4.7
313.63263	4.6
447.88266	4.3
597.14307	5.9
597.37726	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	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06522	3.7
71.04494	3.4
79.05475	6.9
80.64860	3.5
81.03388	6.1
85.02880	5.2
91.05476	18.1
92.93950	4.0
93.07041	7.2
95.04970	9.2
95.08578	5.3
97.06512	4.2
101.85208	4.0
105.07019	18.0
107.04952	74.5
109.06506	26.5
111.08057	4.1
112.77623	4.3
113.06021	28.5
115.59373	4.3
116.13922	4.1
117.07005	7.5
119.04906	16.5
119.08572	6.1
121.06480	8.1
123.04404	15.0
123.08038	4.2
125.06036	7.9
129.07076	7.3
131.04948	6.2
131.08577	6.5
133.06464	7.3
134.09592	4.7
135.08054	7.0
137.05937	8.5
139.07541	5.0
141.05559	5.7
141.06984	8.2
143.08549	19.2
145.06453	15.5
145.10110	6.2
145.59883	4.4
147.04391	6.9
147.08064	8.4
149.05998	24.7
155.08540	15.9
157.06473	5.3
157.10155	6.1
159.08058	8.3
161.05960	9.2
167.08511	5.6
169.10107	14.7
171.08034	15.1
171.11783	4.1
173.09706	4.4
175.07544	6.7
179.08528	14.5
180.10225	60.8
181.08713	4.7
181.10114	24.6
183.08040	33.3
183.11720	7.2
185.06003	6.0
185.09618	15.4
187.07596	7.3
192.09355	6.4
193.10127	20.5
195.08113	7.3
195.11685	7.5
197.09641	5.7
197.13278	5.2
199.07574	9.2
199.11168	3.9
201.09134	14.2
203.07007	4.1
205.10123	7.4
207.11754	35.3
208.08769	3.9
209.09618	30.7
209.13136	4.1
210.11172	4.1
211.07761	4.1
211.11240	23.2
213.09146	8.9
221.09619	7.4
221.13278	17.2
222.10561	5.2
223.11232	22.0
225.09079	5.9
225.12682	29.5
233.09634	7.8
234.10254	5.8
235.11166	24.4
237.09166	18.3
237.12752	14.7
239.10765	6.9
239.14301	17.6
249.12689	23.6
251.10588	8.7
253.12160	30.4
262.10129	4.1
265.12317	6.3
267.13757	23.9
269.11639	3.9
277.12292	23.2
281.11719	7.7
285.14972	7.0
295.13278	85.4
299.12668	4.2
313.14349	56.9
323.12866	14.4
329.13724	5.8
331.15189	4.7
341.13788	70.7
355.15350	41.4
359.14914	6.5
373.16519	8.3
383.14844	5.9
401.16013	30.6
415.17291	7.8
443.16907	6.3
461.17966	55.8
503.18991	6.8
563.21265	100.0
595.03888	4.0
598.24200	48.2
598.33563	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	598.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37211	2.6
59.96893	3.7
61.15354	3.0
64.13385	2.9
65.99505	3.1
69.03440	5.5
69.07053	3.0
76.62527	3.2
79.05490	11.4
81.03443	11.3
81.07074	4.6
83.04978	6.3
91.05471	6.1
92.17869	6.9
93.07039	24.0
95.04999	4.2
95.08582	5.3
97.02892	7.7
97.06533	33.5
105.03394	100.0
105.07014	13.5
107.04952	23.7
107.08584	16.1
109.02873	16.9
109.06516	21.9
109.10153	12.9
117.07011	4.0
119.08564	22.3
121.06499	19.6
121.10129	4.5
123.04427	13.5
123.08024	6.1
127.03933	5.7
129.07024	4.5
131.08571	13.6
133.06551	3.8
133.10127	13.6
135.08043	15.8
135.11693	14.6
137.05968	14.5
137.09621	18.1
143.08566	17.9
145.06503	12.9
145.10089	15.7
146.71800	3.3
147.08072	31.6
147.11682	3.4
149.09648	3.3
155.08540	7.5
157.10089	24.0
159.08054	6.8
159.11644	5.6
161.09657	7.4
163.07552	7.1
163.11128	6.0
165.09131	4.5
169.10188	17.3
171.11684	13.1
173.09613	6.3
175.11249	4.4
181.10103	20.0
183.11751	13.6
185.13332	7.2
187.11151	5.2
195.11742	26.4
197.09665	4.1
197.13303	20.7
199.11148	8.0
205.10254	3.4
207.11758	17.0
209.09575	5.0
209.13293	5.5
211.11130	5.3
211.14899	8.1
213.12762	6.6
213.16466	4.9
221.13277	5.1
223.11130	11.7
223.14795	4.8
225.12756	39.3
227.18034	11.9
235.14912	7.1
237.16438	30.5
239.14285	7.1
241.12344	4.3
241.15927	6.9
243.13846	6.0
247.14786	6.7
249.07600	23.0
253.15810	11.6
255.17416	30.2
265.15863	33.9
267.08521	34.0
283.16922	96.3
301.17865	26.0
325.18109	6.4
343.19138	62.3
361.20129	6.9
401.22971	2.9
403.21185	79.6
443.24185	13.6
461.25403	17.9
598.18152	4.2
598.32330	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	598.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02352	2.4
53.34600	1.9
55.01877	3.8
57.29370	2.0
71.79121	2.6
79.05517	3.5
81.07040	3.4
83.08614	3.9
90.28654	2.5
91.05474	3.3
93.07027	11.4
95.08618	3.7
97.06529	13.6
105.07042	6.3
107.04939	18.7
107.08601	10.8
108.05235	3.3
109.06504	16.4
109.10146	4.4
111.08100	3.1
113.06025	2.6
119.08558	21.9
121.06547	3.4
121.10139	6.0
123.04391	4.2
131.08575	5.2
133.06517	3.6
133.10158	22.9
135.08055	35.1
137.05975	11.1
139.07559	4.5
143.08539	5.8
145.06483	54.5
145.10123	14.9
147.08081	29.2
147.11679	5.4
155.08563	4.5
157.10135	13.5
159.11700	11.2
163.07527	81.7
163.11209	3.4
165.05431	4.7
165.09084	16.8
169.10095	16.1
171.11697	22.8
173.13235	5.7
175.11134	3.0
179.08308	3.1
183.11671	21.8
185.13232	4.7
187.14861	3.1
194.11760	4.6
195.11861	13.1
196.12361	2.8
197.13240	19.9
199.11182	10.0
201.12714	4.9
205.08614	15.9
207.11758	19.1
209.13229	13.0
211.11159	5.7
211.14832	12.4
213.16316	3.6
221.13171	3.4
223.14784	12.4
224.15567	3.7
225.12776	13.3
234.14030	6.3
239.14281	11.2
239.17897	50.0
249.16331	26.9
257.19028	11.7
267.14743	5.3
267.17419	100.0
285.18478	39.2
327.19519	83.2
339.14059	19.5
345.20581	18.6
387.21524	25.3
447.23636	12.7
521.27362	26.4
571.12079	2.8
581.29163	11.3
598.32928	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	598.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.31849	3.6
58.64633	3.2
67.05501	4.5
69.03464	3.8
69.07087	3.9
79.24059	3.7
81.07067	7.4
83.04950	6.6
86.51748	3.8
87.92751	3.8
88.48652	3.7
93.07025	8.4
95.04964	6.8
95.08588	8.9
97.06538	8.7
101.62713	3.8
105.07024	21.3
107.04923	7.6
107.08584	23.1
109.06511	59.0
111.08083	5.1
119.08585	17.7
121.06494	26.9
121.10136	26.6
123.08067	35.4
125.46944	4.1
131.08568	18.4
133.10120	10.0
135.08041	16.8
136.08830	6.6
137.05984	49.2
137.09668	5.5
139.07581	4.3
143.08600	9.6
145.06497	6.8
145.10135	21.3
146.06546	4.0
147.08054	18.8
149.09615	19.3
153.09016	5.9
155.08562	5.7
157.10114	22.2
159.08058	9.8
159.11703	17.3
161.09627	10.0
163.07524	9.2
163.11168	7.8
169.10123	17.0
171.11685	16.9
173.09625	19.4
173.13158	5.5
175.11166	28.1
181.08548	19.2
181.10071	11.5
182.10925	5.2
183.11705	14.6
185.09608	6.0
185.13278	6.1
187.11208	19.1
187.14827	6.9
195.11710	22.5
197.13275	41.5
199.11143	9.1
201.12698	8.3
207.11803	18.4
213.12860	7.9
213.16417	8.6
215.14297	27.6
221.13293	6.4
223.14828	6.4
225.12746	17.1
227.10686	6.2
237.16380	9.8
239.14268	6.6
241.15970	17.8
243.13699	7.4
247.14766	5.1
255.17499	20.8
256.72232	4.6
257.15363	6.0
265.15912	20.8
273.18463	5.7
283.16898	100.0
301.17966	39.9
343.18927	35.6
361.20181	22.4
403.21313	20.2
421.22137	74.9
463.23340	45.4
521.27203	6.0
581.29773	45.0
598.31915	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	598.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49318	3.4
57.07069	15.0
65.93893	3.3
85.15983	3.6
86.30959	3.3
92.20192	3.3
93.07046	4.6
95.04962	26.5
95.08598	5.3
97.06541	7.7
99.08300	3.5
105.03348	5.9
105.06997	5.4
107.08604	14.1
109.06505	21.4
119.08607	8.9
121.06509	32.8
121.10175	7.4
123.08071	15.8
126.87236	3.5
131.08592	3.7
133.06494	9.1
133.10143	8.4
135.08069	26.5
137.05966	8.9
137.09627	22.3
139.07538	3.9
143.08540	8.8
143.92299	3.8
145.10141	7.4
147.08044	7.3
151.07516	5.0
153.09097	5.1
157.10155	5.9
159.07976	4.6
161.09636	18.2
163.07529	7.1
163.11148	5.5
165.09134	20.3
169.10161	7.4
171.11714	5.8
173.09613	19.7
175.11189	6.9
177.09184	6.1
181.08575	7.2
183.11682	5.7
185.13205	7.6
187.07608	4.2
187.11162	27.5
189.09113	5.4
195.11780	6.3
199.11142	8.9
201.12775	5.3
203.10687	4.8
209.13339	6.0
211.11288	7.2
211.14789	8.6
213.12698	57.3
215.10742	3.7
223.11127	6.1
224.11977	4.7
227.14305	8.0
229.12250	17.9
229.15805	7.9
231.13837	16.1
235.14798	5.8
239.14323	20.9
241.12178	15.8
245.15323	5.4
247.13316	8.9
253.15874	19.1
255.13936	4.7
257.15335	29.8
271.16882	44.9
273.14716	5.3
275.16330	4.9
281.15424	18.5
288.69272	4.3
289.17877	4.8
299.16418	61.7
301.14227	4.4
317.17480	100.0
335.18488	15.1
341.17538	31.6
359.18442	67.3
361.16534	18.0
377.19604	96.0
419.20651	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20470	1.3
57.85633	1.2
62.06085	1.7
69.03426	1.5
78.02175	1.5
79.05492	6.7
81.20641	1.5
91.05464	7.2
105.07033	3.2
107.04954	100.0
107.08568	2.7
109.10115	1.6
113.73956	1.4
117.07040	1.7
119.04985	1.8
119.08572	3.2
120.08115	8.0
121.06382	1.5
121.10114	1.9
134.09686	3.2
135.08017	2.1
135.11649	1.7
149.05965	26.3
180.10190	86.1
194.11800	8.6
210.11249	7.0
211.27811	1.5
213.10756	1.3
353.83969	1.4
371.25320	1.5
598.29730	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	598.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51620	1.1
59.60729	1.1
60.40876	1.1
72.41498	1.1
77.68534	1.5
79.05496	7.5
81.07097	2.0
92.17754	1.6
93.07004	1.3
101.78696	1.2
102.22161	1.3
105.07050	6.5
107.04953	96.7
107.08589	2.7
119.08576	2.4
120.08100	15.2
121.10165	1.7
131.08563	1.8
133.10159	2.1
135.08067	1.2
145.10135	2.0
149.05966	23.2
167.89558	1.4
169.10126	1.8
180.10187	100.0
197.13187	1.8
223.65558	1.5
253.19472	1.7
281.19006	1.6
299.20190	2.5
430.98395	1.5
492.89294	1.6
538.31702	39.2
598.33893	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	598.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08290	0.6
53.25885	0.8
59.57346	0.7
59.63575	0.6
63.60453	0.7
64.02991	0.7
67.05473	0.6
74.09662	0.8
79.05488	7.6
81.07063	1.0
91.05489	1.5
92.17857	1.5
95.08594	1.2
98.97630	0.8
105.07033	4.2
107.04952	100.0
107.08570	1.3
119.08574	3.1
120.08082	11.2
131.08618	1.0
133.10184	0.8
143.08578	1.0
147.49330	0.8
149.05981	26.3
155.08534	1.0
157.10085	1.7
180.10188	75.5
181.10216	1.2
223.14828	1.9
241.15852	1.0
341.08615	0.8
402.24487	1.0
420.25458	3.9
451.23630	0.8
520.30640	0.9
538.31555	8.8
592.35413	0.9
598.33820	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92673	1.0
65.29272	0.9
70.85947	1.0
76.61671	1.1
79.05487	7.0
93.07027	1.8
101.85126	0.9
105.07010	4.8
107.04958	100.0
107.08614	1.3
109.10122	1.3
110.12160	0.9
119.08593	3.9
120.08099	16.0
121.10078	2.0
129.06979	1.3
131.08557	1.5
133.10115	2.6
135.11632	2.0
143.08542	1.3
145.10201	1.2
149.05981	25.6
151.79117	1.1
159.11647	1.2
161.38899	1.1
169.10019	1.3
180.10188	98.0
281.19095	1.4
299.20102	1.4
411.18643	1.2
538.31683	38.8
598.33795	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74688	0.7
57.28008	0.6
60.96025	0.7
62.06091	1.4
77.04024	0.9
79.05502	7.0
87.71521	0.8
91.05478	20.7
93.07057	0.9
102.65707	0.9
105.07029	5.1
107.04954	100.0
107.08585	1.8
109.10101	0.8
113.70347	0.8
117.06920	0.9
119.04938	4.3
119.08572	4.2
120.08089	11.8
121.06441	1.0
129.07007	1.0
131.08571	1.0
134.09634	3.6
137.09602	1.4
143.08578	1.2
144.47046	0.9
145.10156	1.1
149.05980	22.9
155.08551	0.9
162.28142	0.8
169.10100	0.9
180.10182	79.4
181.10193	1.8
183.11592	1.0
195.11710	1.0
196.12206	0.8
197.13286	0.9
210.11258	16.7
211.14919	0.9
223.14795	3.2
277.03207	0.8
277.09290	0.8
333.97372	0.9
402.24277	1.7
420.25366	4.8
538.31696	7.4
598.33942	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62947	0.5
62.06096	5.3
67.05471	0.5
72.85214	0.5
73.50780	0.6
79.05495	7.4
81.07039	0.6
81.72285	0.6
83.19382	0.6
87.77208	0.5
88.04557	0.6
91.05474	8.6
93.07015	1.4
95.04985	0.7
95.08568	1.2
105.07020	1.4
107.04949	95.5
107.08588	1.2
117.06979	0.6
119.04933	1.1
119.08605	2.8
120.08086	8.6
121.06545	0.8
121.07763	0.5
121.10123	1.4
131.08612	0.7
133.10147	1.3
134.09662	1.0
135.08031	1.4
135.11699	1.2
145.10112	0.7
149.04843	1.0
149.05968	19.7
157.10181	0.7
180.10179	100.0
183.11604	0.9
210.11234	4.9
226.10736	3.9
247.96675	0.6
281.19083	0.9
538.31549	4.9
598.32684	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	598.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
57.07059	0.8
58.76018	0.7
67.05482	1.0
74.06049	1.1
79.05478	5.5
81.07069	0.9
91.05453	1.3
93.07048	1.6
95.08611	4.4
105.07017	6.1
107.04955	97.7
107.08595	1.8
109.06525	0.8
109.10149	1.9
119.08537	5.9
120.08096	16.4
121.10125	3.8
123.08038	1.5
131.04878	0.9
131.08565	1.5
133.10129	3.3
134.09656	1.4
135.11711	1.2
143.08591	1.8
145.10107	1.7
147.11693	1.1
149.05986	26.5
155.08469	1.0
157.10054	2.7
159.11707	1.8
169.10121	1.9
171.11722	2.0
180.10188	100.0
183.11731	1.4
185.13281	0.9
194.11958	1.1
195.11868	1.2
197.13348	2.9
209.13237	1.1
237.69301	0.8
249.76678	0.9
281.19016	4.4
284.11884	0.8
292.03781	0.7
299.19843	1.9
436.46600	0.9
478.29358	1.1
538.31531	29.2
598.33862	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	598.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	5.9
93.07030	1.4
105.07037	4.7
107.04954	100.0
107.08561	0.9
109.06509	0.8
109.10138	1.9
112.52767	0.8
119.08572	4.8
120.08092	13.5
121.10132	3.4
123.08085	1.3
131.08536	1.3
133.10124	4.4
135.11673	1.3
137.24751	0.7
143.08548	3.5
145.10112	3.6
149.05977	27.9
157.10136	1.8
159.11691	1.5
169.10126	3.2
171.11632	1.4
180.10179	97.5
183.11711	1.0
185.13268	1.1
187.11130	0.8
187.26077	0.9
195.11774	1.0
197.13283	1.2
206.51639	0.9
222.11362	1.3
233.85030	1.0
271.20523	1.2
281.19049	1.8
299.20190	1.3
441.64639	0.8
478.29419	1.0
538.31604	41.3
598.33832	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1554
Annotation	Santarubin C
Peak:m/z	Relative Intensity
54.92720	0.5
58.50388	0.5
67.01865	6.6
87.98837	0.5
94.20258	0.5
95.04940	0.5
99.04489	0.8
107.79850	0.5
110.96009	0.6
133.86113	0.5
135.04439	1.3
138.66293	0.5
141.05502	0.5
142.45183	0.6
146.83307	0.6
149.10822	0.6
151.03900	18.4
151.05072	0.9
167.03389	59.9
170.42343	0.6
173.05931	0.8
175.03946	0.6
185.04491	12.2
193.04973	0.7
253.05193	0.8
285.07706	2.1
311.05524	3.2
365.16141	0.6
381.40784	0.7
400.09540	0.6
401.10324	0.8
407.11176	1.3
411.03241	0.6
417.09674	2.3
418.10544	8.4
419.11392	1.1
433.12839	65.6
444.08490	0.9
449.08749	2.6
459.10751	7.7
583.11041	0.7
599.15460	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	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
72.95742	3.2
81.75464	3.0
92.18436	3.6
99.19973	3.6
107.04958	100.0
136.25552	2.9
198.59344	3.1
205.04945	4.9
247.05859	6.6
251.96310	3.1
259.05981	12.8
271.05984	4.4
284.98361	3.4
289.06985	5.6
301.06937	5.5
313.07150	4.5
325.34235	3.1
353.10233	4.1
383.11194	6.1
395.11151	3.5
431.13187	14.1
461.14313	6.7
545.16461	6.3
563.17322	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	599.2281
Annotation	Tributyltin oxide
Peak:m/z	Relative Intensity
84.84261	1.2
91.48199	1.4
92.17856	5.8
107.01299	1.3
152.47472	1.5
317.08096	5.6
335.12787	5.6
349.10611	3.2
359.12686	19.5
361.10745	30.8
362.11368	2.5
363.12244	52.6
375.12277	3.4
376.13165	8.8
377.13879	18.6
387.12579	3.0
389.13794	2.0
401.17538	5.7
404.12802	2.7
414.14737	1.6
429.17139	8.3
432.15710	7.6
447.18103	26.4
513.15527	3.3
599.22784	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	599.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96189	0.6
53.92406	0.5
56.80330	0.6
62.24404	0.6
63.59323	0.6
64.51218	0.5
66.97929	0.6
77.33686	0.6
79.05508	0.8
91.05454	0.9
93.07048	0.8
105.07020	1.4
111.86923	0.6
119.08554	1.0
131.08592	1.2
136.71254	0.7
141.11630	0.7
143.08530	0.9
145.10127	1.2
149.98634	0.6
155.08568	1.2
155.33553	0.7
157.10175	1.5
165.07010	1.1
169.10117	2.6
171.08090	0.9
171.11647	0.7
174.04686	0.8
174.52710	0.7
179.08603	1.3
181.10153	1.5
183.11664	1.4
192.09256	1.0
193.10159	3.6
195.11777	1.6
197.09685	0.7
205.10045	0.8
207.11690	2.9
209.09654	0.7
219.11755	1.1
220.12469	0.7
221.13196	1.0
233.13185	0.9
234.13979	1.1
235.14807	0.8
244.12523	0.9
249.16408	0.8
356.44061	0.7
380.72729	0.8
479.20508	0.7
539.22247	5.5
555.76154	0.7
599.24579	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	599.2832
Annotation	Hematoporphyrin_I
Peak:m/z	Relative Intensity
59.24372	1.8
67.57697	1.8
84.41600	1.7
93.07610	1.9
118.97018	1.9
119.08574	4.8
141.05281	2.3
209.13301	2.4
224.64296	2.0
251.18001	2.9
269.19077	2.2
297.18488	2.8
419.22055	2.1
479.24002	3.9
497.25198	9.8
539.26343	3.1
599.28479	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	599.2832
Annotation	Hematoporphyrin_I
Peak:m/z	Relative Intensity
50.07072	0.5
51.48427	0.5
55.05518	0.8
57.85955	0.6
57.94022	0.6
67.05511	0.6
78.31680	0.6
83.05001	0.8
84.17135	0.6
85.79191	0.7
93.07047	1.1
95.08607	0.6
96.16430	0.6
105.07017	3.6
107.08597	1.5
110.91280	0.7
119.08588	2.9
121.10152	1.0
129.07001	0.8
131.08562	2.8
133.10167	1.0
135.08064	0.8
141.05276	4.7
143.08623	2.2
145.10109	1.4
155.08624	0.8
157.10114	0.8
159.11685	1.2
161.09637	1.1
165.09166	0.9
169.10144	2.6
171.11665	0.9
187.11230	1.0
188.70221	0.6
195.11694	0.8
233.15340	0.9
251.18004	1.1
269.18951	0.7
279.17499	1.0
301.15631	3.3
315.49261	0.7
324.75854	0.6
340.83472	0.6
419.21820	12.7
437.23032	1.0
479.24197	4.3
497.25204	6.4
507.34601	1.5
539.26099	12.0
576.24860	0.7
599.28296	100.0
599.40515	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	599.3192
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
50.95990	1.6
53.64186	1.8
60.80406	1.6
67.05513	2.4
69.02214	1.6
79.05479	2.5
81.07045	2.1
82.51115	1.7
83.01110	1.7
91.05463	2.9
93.07024	9.1
95.04958	2.4
95.08586	4.0
98.25847	1.7
105.07014	3.7
107.08571	3.9
117.07026	2.3
119.08558	13.4
121.10130	3.6
130.13760	1.6
131.08563	4.0
133.10107	24.1
135.11629	2.2
141.05168	14.8
143.08585	1.8
145.10124	17.9
145.36882	2.0
147.08040	2.3
147.11708	2.6
153.05449	2.0
155.06737	3.5
157.10085	3.3
159.11639	3.4
169.10202	2.2
171.11629	2.7
181.10049	2.3
196.38498	1.7
197.26985	1.6
209.13318	4.1
245.54489	2.0
250.27214	1.8
267.13669	3.8
283.12195	1.8
295.13260	17.2
439.17542	2.0
551.35339	2.2
563.35522	2.1
581.36328	8.2
599.31866	100.0
599.41241	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	599.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	12.4
57.03431	9.9
57.07067	6.5
67.05511	12.5
69.07067	17.6
71.08612	6.2
79.05471	2.3
79.98830	1.4
81.07049	17.8
83.08620	19.5
85.10129	1.4
93.07037	7.6
95.08605	18.9
97.10168	12.1
98.98445	8.5
105.07005	1.9
107.08591	8.5
109.02870	2.2
109.10151	10.0
111.08067	1.6
111.11720	2.7
116.99433	1.4
119.08556	3.3
120.10181	1.4
121.10139	11.5
133.10124	8.9
135.11703	7.3
141.05231	9.2
145.10152	1.8
149.13307	1.8
155.01041	2.2
207.84398	1.4
209.11501	1.7
225.78737	1.3
227.12509	2.6
339.28915	100.0
405.24329	1.8
481.85684	1.8
563.29138	1.8
599.30280	43.6
599.38983	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	599.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15461	2.2
52.99709	1.6
55.05502	2.4
67.05486	2.7
79.05499	1.9
79.74618	1.9
81.07059	12.7
90.16784	2.0
93.07030	11.6
95.08588	13.2
103.91245	1.9
105.07020	11.1
107.04927	2.2
107.08592	9.9
107.48434	2.0
109.06482	3.1
109.10138	8.3
115.47060	1.9
117.06958	4.1
119.08553	13.4
121.10140	12.2
123.11705	2.6
127.57327	1.9
131.08551	7.7
133.10117	29.9
135.11650	2.8
141.05241	15.2
145.10152	19.1
147.11691	11.6
149.13309	3.2
155.06795	2.1
157.10075	3.1
159.11688	4.0
163.11150	4.2
163.67252	1.9
171.11691	2.3
173.13277	2.1
177.16399	7.6
181.10094	2.5
189.16470	3.6
191.50107	1.9
199.14737	2.2
207.17505	13.7
209.13266	3.1
225.09094	4.8
237.66527	2.1
252.11540	2.8
259.71432	2.0
267.10803	3.2
267.13632	29.6
291.13867	3.3
295.13263	100.0
295.16592	3.3
339.28696	2.1
361.17944	3.1
375.19513	9.1
393.51639	2.2
403.22549	2.0
551.35315	15.9
563.34973	8.3
581.36188	37.1
599.31396	93.7
599.47699	3.5
615.51428	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	599.377
Annotation	Sarcohydroquinone sulfate A
Peak:m/z	Relative Intensity
62.14448	1.2
64.49493	1.2
69.07076	1.6
72.64928	1.1
81.07083	2.2
85.86404	1.2
87.92361	1.2
93.07073	2.0
95.08654	2.5
105.03404	11.7
105.07040	1.4
107.08659	1.8
109.10206	1.9
119.08562	1.8
133.10164	2.6
141.05293	1.6
142.88660	1.4
209.11613	6.4
227.12489	18.6
250.77312	1.5
274.35361	1.5
363.53955	1.4
395.24289	5.6
413.25473	7.1
429.05438	1.4
599.38104	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87363	0.8
55.05516	1.9
57.07065	2.0
57.08567	0.8
59.05000	0.8
67.05499	4.8
69.03407	4.2
69.07063	3.6
75.93585	0.9
79.05482	5.8
80.01351	0.8
81.03454	0.8
81.07048	8.5
83.04964	4.9
83.08611	1.5
85.06509	1.6
91.05458	4.3
93.07043	12.4
95.04956	5.5
95.08592	6.3
97.06507	1.5
105.07020	12.8
107.04950	1.3
107.08593	13.2
109.06491	3.7
109.10148	3.9
111.08026	0.9
119.08557	14.1
121.06396	1.4
121.10137	15.8
123.08063	5.7
123.11726	1.0
125.09621	1.5
129.07033	2.3
131.08557	8.9
133.10138	9.3
135.04401	6.4
135.08031	5.8
135.11746	1.9
137.05927	1.2
137.09610	4.4
142.07765	1.6
143.08548	10.0
144.09331	2.0
145.10114	14.0
147.08029	7.4
147.11745	1.5
149.09608	6.2
151.07542	7.3
155.08551	1.9
157.10141	11.4
159.08038	2.2
159.11681	10.8
161.09584	3.6
161.13243	1.7
163.11142	2.2
165.09088	13.3
167.03490	1.2
167.10631	1.7
169.10092	6.9
170.10907	1.7
171.11670	9.4
173.09604	2.1
173.13274	4.3
175.11139	1.3
177.09108	0.9
179.08557	1.5
181.10121	3.8
182.10864	1.2
183.11630	7.8
185.09595	1.7
185.13235	3.8
187.11159	3.6
189.12759	3.9
195.11731	5.0
197.13194	5.0
199.11243	1.7
199.14757	1.4
203.14340	3.7
207.11699	3.7
207.13736	3.8
209.13245	6.7
211.14784	3.6
213.12729	1.3
215.14333	1.8
221.13321	4.4
221.15372	11.0
223.14900	1.6
225.12953	1.1
225.16418	1.2
227.14366	1.2
231.11490	1.3
233.15359	17.6
239.14125	1.0
246.13782	1.0
247.14792	1.4
249.57840	1.3
251.14326	1.4
393.90118	1.1
433.12943	1.6
449.08554	1.7
473.14810	1.1
507.34592	25.5
581.40070	1.4
599.15295	11.9
599.32452	4.9
599.40881	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	599.4097
Annotation	Idoxanthin
Peak:m/z	Relative Intensity
55.05520	0.9
57.07063	2.7
58.86348	0.6
59.05002	1.6
67.05502	1.6
69.03413	2.7
69.07045	0.8
79.05478	2.9
81.07043	5.4
85.06549	0.9
91.05468	3.6
93.07031	9.4
95.04951	1.6
95.08596	7.4
97.06527	0.9
105.07040	7.0
107.08566	5.9
109.06493	3.4
109.10149	3.0
117.07024	1.1
119.08570	13.6
121.06501	3.0
121.10119	8.8
123.08018	5.2
125.05987	1.6
129.07114	1.0
130.07709	0.8
131.08566	4.6
133.10118	7.6
135.08037	6.3
135.11681	3.6
137.05949	1.2
137.09587	7.6
143.08540	4.5
144.09290	0.9
145.10124	8.6
147.08037	20.3
147.11659	1.2
149.09663	1.2
151.07549	6.8
155.08586	1.2
157.10126	11.9
159.08159	0.9
159.11685	5.1
161.09633	4.0
161.13278	5.7
163.11154	4.2
165.09091	41.3
169.10167	4.0
170.10835	0.9
171.11656	5.2
173.09697	1.0
173.13255	1.2
175.14804	1.3
177.09019	1.3
181.10211	0.8
181.12204	1.6
183.11694	5.2
185.13272	4.6
187.11246	0.9
187.14839	1.4
189.12625	2.5
191.10681	1.9
195.11707	1.7
197.13310	3.6
201.12709	1.1
203.14305	14.4
207.11882	1.5
207.13817	3.7
208.12572	0.9
209.13284	1.8
211.11200	1.6
211.14810	1.5
213.12721	0.9
221.13232	2.0
221.15326	29.9
221.17380	1.3
225.12801	1.1
225.16411	1.2
225.53316	0.9
231.13794	1.0
233.13266	0.9
237.16591	0.8
247.16940	4.7
287.20093	3.1
299.20023	1.8
327.23111	1.1
391.26410	4.0
419.29465	1.0
427.28522	1.8
507.34802	3.7
556.99530	0.9
585.45593	0.9
599.40924	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	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.07069	1.1
57.23452	0.7
59.05006	0.7
61.76972	0.8
62.91264	0.7
67.05505	1.3
69.03418	3.0
69.07041	1.6
72.99342	0.7
79.05478	3.4
81.07059	5.9
83.04972	3.3
83.08620	1.6
85.06523	3.0
91.05450	3.5
93.07054	8.6
95.04960	4.3
95.08595	5.3
97.06528	3.3
105.07028	7.3
107.08561	8.7
109.06506	3.0
109.10143	3.6
119.08592	10.8
121.06461	1.1
121.10150	10.2
123.08051	4.3
123.11710	0.8
125.09596	1.8
127.74431	0.8
129.06990	1.2
131.08591	7.5
132.09253	0.8
133.10135	9.8
135.04424	15.3
135.08040	5.7
135.11670	2.9
137.09602	3.5
142.07768	1.3
143.08542	6.6
144.09323	1.7
145.10121	12.8
147.08034	8.7
147.11700	3.0
149.09602	5.4
149.13240	1.0
151.07541	5.1
155.08551	1.3
157.10112	8.6
159.08040	1.6
159.11688	5.6
161.09618	4.2
161.13269	1.1
163.11162	1.9
165.09096	10.9
167.03404	5.2
167.10558	0.9
169.10095	5.1
170.10930	1.1
171.11652	4.7
173.09621	1.3
173.13171	2.6
175.11176	1.1
183.11691	5.0
185.13242	4.0
187.11215	1.8
187.14883	1.0
189.12723	1.5
191.14281	1.3
195.11690	4.4
196.12555	1.3
197.13268	3.3
199.11136	3.1
199.14813	1.4
201.12729	1.4
203.14302	4.2
207.11780	2.7
207.13805	3.4
209.13254	4.9
213.12793	0.8
221.13289	3.7
221.15399	7.4
223.14705	3.3
225.16518	1.4
232.12422	1.1
233.13185	1.4
233.15340	15.6
235.14789	1.6
261.16376	1.1
263.17807	1.0
281.19092	1.6
327.29935	0.8
354.37051	0.9
403.11594	1.1
417.09738	1.3
423.10605	7.1
433.12915	4.2
449.08536	9.6
507.34732	25.8
525.15411	1.1
581.13654	0.9
581.40393	1.5
599.15436	24.0
599.40936	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18219	2.9
50.92266	3.4
79.05488	6.0
84.74955	3.7
84.92295	3.7
85.66388	3.6
91.05487	89.3
92.18514	8.9
93.07075	4.4
95.04961	7.4
97.06509	4.3
105.07050	17.4
107.04943	20.3
107.08563	6.7
109.06539	31.1
113.05966	4.4
117.07012	7.1
119.04945	15.2
119.08572	8.4
121.06567	6.8
123.04430	20.4
123.08061	5.8
125.05959	7.9
129.07011	6.8
131.08600	5.8
134.09650	30.1
137.05925	5.4
141.64778	3.7
143.08569	16.4
145.06487	9.8
147.08058	5.1
149.05939	6.1
155.08600	15.0
157.10123	5.3
159.08070	8.7
161.09596	4.2
163.07516	16.6
164.10753	6.7
169.10138	9.0
171.08044	7.8
175.07648	4.7
181.08658	3.9
181.10196	21.5
181.19742	4.0
183.08080	18.7
183.11659	6.4
185.09593	15.3
185.13223	4.3
192.09291	4.8
193.10106	7.5
195.08092	4.1
195.11714	21.8
197.09669	18.6
197.13245	4.4
199.07559	4.5
199.11247	4.5
201.09114	5.8
207.11739	18.9
207.74126	3.8
209.09546	5.5
209.13348	15.9
210.11304	69.4
211.11333	7.8
213.09155	5.1
213.12775	4.1
218.10912	5.3
219.11679	7.9
221.13495	4.3
223.11143	15.3
231.11763	5.1
233.13315	7.0
235.11192	16.8
237.12801	26.2
239.10588	4.3
241.12268	8.9
244.31866	4.8
251.14278	6.1
255.14032	5.3
261.12704	4.6
265.12173	17.5
279.13788	18.1
283.13345	5.4
294.98978	4.1
297.14880	7.4
307.13361	14.7
315.16028	5.5
323.49649	4.2
325.14224	32.2
343.15497	18.5
385.16345	17.2
445.18454	23.6
487.19589	96.8
505.20694	100.0
523.21533	6.2
531.15747	5.0
547.21259	14.7
565.22668	20.9
600.31958	80.6
612.82800	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	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08013	5.5
51.98784	5.3
53.68110	5.3
61.85750	5.0
63.27327	4.7
74.97578	5.9
79.05494	7.4
91.05452	27.7
93.07074	6.2
95.04948	11.8
97.06496	7.4
104.41299	5.6
105.07022	35.5
107.04918	12.1
109.06535	47.2
111.08047	7.5
113.05978	28.4
117.07014	23.3
119.04939	11.3
119.08576	25.2
121.06521	10.0
123.04431	32.3
123.08103	6.2
125.05981	22.2
128.06218	6.6
129.07007	20.9
131.04939	6.7
131.08569	22.6
133.06490	13.4
134.09628	5.7
135.08063	11.2
136.10658	4.5
137.05991	10.4
139.07536	12.0
141.07011	11.7
143.08611	11.1
145.06500	27.9
145.10132	10.0
147.08023	21.9
151.07567	6.1
153.07002	8.4
155.08549	13.2
157.06522	11.9
157.10098	21.3
159.08049	27.9
161.05905	12.7
163.07553	12.9
167.08548	27.7
169.06532	9.0
169.08360	5.1
169.10132	26.0
171.08028	31.1
171.11719	7.6
173.06093	6.8
173.09695	9.6
175.07545	8.9
179.08562	25.6
180.09322	9.3
181.08578	11.7
181.10086	34.6
183.08072	11.8
183.11754	21.8
185.09613	25.0
187.07555	10.2
189.09146	7.2
192.09415	7.5
193.10115	42.9
194.10880	7.4
195.08035	10.2
195.11711	43.4
197.09668	25.7
199.07504	8.6
199.11192	9.2
201.09003	9.9
203.08582	8.1
207.11650	39.7
208.08783	6.6
209.09570	47.1
209.13220	36.5
210.11211	34.6
211.11194	35.2
213.09113	13.6
213.12779	7.4
215.34360	5.7
216.09534	5.8
218.10809	9.0
219.11722	32.9
221.09673	24.7
221.13213	6.8
222.10414	6.1
223.11241	39.8
225.09071	7.8
225.12746	27.5
232.08859	7.8
233.13385	12.0
235.11208	29.9
237.12656	65.7
239.10696	25.4
239.14326	7.8
241.12267	27.1
249.09157	7.2
249.12650	23.9
251.10558	13.8
251.14301	12.9
253.12236	35.6
255.13786	13.5
261.12756	11.8
263.10678	6.5
265.12210	40.1
267.13770	32.8
279.13702	41.7
283.13190	22.7
295.13300	70.2
297.14819	28.3
307.13181	24.2
313.14325	31.7
315.15594	8.2
325.14304	100.0
343.15390	42.5
355.15475	31.5
361.16422	6.8
367.15442	10.9
385.16537	39.6
403.17746	10.0
415.17896	17.3
427.17395	7.5
445.18527	70.7
463.19443	11.6
487.19675	56.4
505.20728	38.4
509.83792	6.1
523.21692	22.3
547.21405	20.5
557.92340	7.1
565.22705	82.9
583.24158	7.5
600.25244	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22408	1.2
67.05468	1.3
72.04497	7.6
81.07050	2.1
83.75318	1.5
91.05474	84.2
93.07000	3.0
95.08567	1.9
102.95375	1.4
105.07027	10.1
107.08562	5.5
111.08086	2.2
119.04916	25.0
119.08575	6.8
121.06435	2.4
121.10120	3.5
123.08044	2.3
123.11723	2.9
131.08568	6.3
134.09647	55.5
135.08081	2.0
137.09613	2.5
145.10139	2.4
149.09599	1.9
157.10199	2.1
159.11661	2.7
164.10690	52.3
165.42828	1.7
171.11646	2.0
175.32504	1.5
183.11691	3.5
185.13315	2.1
192.10101	1.7
197.13330	2.1
199.91098	1.4
210.11232	100.0
285.18567	2.3
582.30707	15.9
600.31732	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.317
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18055	2.3
69.16545	2.4
79.05485	8.4
81.07071	2.1
85.02905	3.7
91.05489	17.4
92.18503	2.6
93.07014	3.5
95.08617	3.1
105.07028	11.3
106.06550	4.9
107.04269	4.4
107.04958	100.0
107.08586	3.4
108.05284	3.6
109.06528	4.0
119.08591	5.2
121.06470	2.2
131.04936	4.5
134.09630	12.2
135.08063	4.9
143.08548	3.0
145.10112	3.1
149.05972	30.8
155.08542	3.0
157.10127	3.8
166.08612	26.3
169.10155	3.8
171.11676	3.0
179.08527	16.6
180.10265	2.5
181.10214	4.4
183.11665	8.8
191.08508	3.7
192.09329	2.9
193.10152	10.4
194.11794	25.6
195.11652	3.8
206.10905	26.0
210.11191	5.1
211.14842	9.9
219.11693	4.4
221.13222	43.1
225.12871	2.2
237.12917	2.9
239.14336	20.6
281.15533	2.5
299.16647	3.0
299.20132	3.0
353.57568	2.1
446.23016	15.8
506.25226	12.1
524.26526	24.7
537.68079	2.5
582.29211	2.5
600.31750	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
74.84369	1.2
79.05488	6.3
83.51830	1.0
86.31660	1.1
91.05466	7.0
92.18492	1.9
107.04950	93.8
112.70808	1.0
119.08554	2.2
131.04933	1.2
134.09660	5.8
137.06049	1.2
149.05962	25.8
151.13358	1.0
162.18240	1.4
173.35262	1.3
194.11748	100.0
210.11304	5.3
223.45268	1.3
276.48212	1.1
326.15283	1.3
423.93887	1.3
600.31696	83.3
628.54913	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	600.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66645	0.8
53.09904	1.0
53.59973	1.0
53.69889	0.8
57.80758	1.0
59.62588	0.9
60.81570	0.9
69.97202	1.1
79.05492	1.4
81.07036	3.9
91.05473	77.2
92.62136	1.0
93.07042	7.6
94.85973	0.9
95.08591	4.3
100.60614	1.2
103.05472	1.5
105.07020	13.2
105.42702	1.2
107.08588	4.7
108.80340	1.0
109.06544	1.5
109.10130	1.8
111.08073	9.8
117.06958	1.1
119.04925	14.3
119.08567	13.4
121.06478	1.0
121.10131	10.7
123.08043	1.8
128.43985	1.0
131.08577	7.6
133.10123	4.3
134.09634	18.8
135.07993	7.6
137.09659	8.2
139.07516	4.7
143.08514	1.8
144.14952	1.3
145.10165	4.5
147.11722	1.5
149.09616	8.0
151.11162	1.2
156.09328	1.1
157.10129	4.2
164.10736	5.8
164.52858	1.2
169.10027	1.7
183.11691	6.4
185.13298	1.3
195.11807	1.8
197.13243	2.4
207.11899	1.3
210.11232	100.0
211.14774	1.7
225.16226	1.3
239.17912	1.3
243.17386	1.8
250.07106	1.3
267.17429	4.4
285.18521	6.2
523.60083	1.2
582.30798	1.3
600.31598	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74847	0.4
53.36411	0.4
54.20721	0.5
72.04513	7.7
79.05472	0.9
81.07059	1.3
84.42754	0.5
91.05482	23.4
93.07038	2.3
95.08585	0.9
101.83867	0.5
102.97182	0.5
105.07024	3.3
107.08576	2.7
109.10119	0.7
114.10853	0.6
117.07001	0.7
119.04934	12.0
119.08562	1.0
121.10139	2.6
123.11690	3.1
131.08556	1.2
133.10126	1.3
134.09648	100.0
146.67763	0.6
149.09648	0.9
151.11180	3.0
164.09326	1.2
164.10709	35.0
183.11673	0.9
192.10233	2.7
210.11235	33.5
217.99927	0.5
257.76199	0.5
288.76013	0.6
530.94421	0.6
540.29565	26.6
600.31567	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	600.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11574	1.0
61.41837	1.0
61.83159	1.0
64.73883	1.0
66.29415	1.1
70.53892	1.1
72.24282	1.2
80.93584	1.4
81.07081	1.3
83.71201	1.1
91.05479	84.7
93.07039	2.0
95.04950	1.4
95.08588	1.6
99.75458	1.2
103.05469	1.9
105.07048	6.0
106.07136	1.2
107.08609	5.6
119.04942	17.5
119.08578	2.1
121.06548	1.7
121.10143	6.3
123.08067	2.5
123.11732	1.4
133.10152	2.0
134.09668	29.4
135.08025	1.7
143.08580	1.6
145.10095	1.7
147.08127	1.4
149.09560	1.4
151.11214	1.3
157.10118	2.3
164.10728	7.2
169.10120	1.9
171.48322	1.3
184.10747	1.3
187.14928	1.5
197.13268	2.7
199.78488	1.4
203.71815	1.3
208.19650	1.3
209.13312	2.3
210.11258	100.0
219.85857	1.5
267.17462	1.8
350.79877	1.4
357.75415	1.2
386.83252	1.4
582.30603	7.5
600.31726	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12375	7.0
69.03410	11.2
80.45472	9.5
91.05447	9.4
105.07037	7.9
107.04951	47.3
119.08629	11.1
121.02860	51.4
122.03072	8.1
125.07055	10.2
149.06001	8.9
159.08073	14.8
161.09662	12.4
171.08028	13.7
171.11678	8.7
173.09627	15.9
181.10130	12.7
183.11818	9.1
194.11729	60.1
199.11177	62.4
206.23138	10.2
225.12752	17.2
227.10664	12.2
247.14813	9.8
271.13354	44.4
276.21387	10.8
329.17477	14.6
331.15326	62.0
344.39990	8.3
462.08887	9.6
480.10193	54.2
517.73682	8.5
600.12518	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	600.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.7
57.07077	4.3
64.99100	3.1
65.77056	3.2
67.05486	4.9
69.07053	23.2
76.43565	3.6
79.05447	3.7
81.07046	8.2
83.08623	24.1
85.02921	5.9
91.05466	7.1
91.83994	4.5
93.07036	7.4
95.08592	15.6
97.10165	20.0
103.00806	4.1
105.07039	14.9
107.08596	22.9
109.10143	23.5
111.11754	5.1
119.08585	34.3
121.06513	18.8
121.10159	36.4
123.08016	5.6
123.11697	16.7
129.06993	3.8
131.04909	6.7
131.08578	22.2
133.10147	18.5
135.08078	18.7
135.11745	18.8
137.13354	4.7
143.08539	18.6
143.59776	4.5
145.10129	24.1
147.08022	25.5
147.11665	25.8
149.13234	6.2
155.08551	8.4
157.10114	42.2
159.08081	27.0
159.11705	21.8
161.09615	23.2
169.10136	30.5
171.11665	27.3
173.09628	28.8
173.13281	7.3
175.11104	6.3
181.10083	5.4
183.11662	18.4
185.09619	27.5
185.13245	20.7
187.11188	43.9
187.14839	14.3
195.11740	9.0
197.13261	33.5
199.14853	8.4
201.12753	18.7
209.13226	16.1
209.30957	4.2
211.14824	6.6
213.12677	16.1
215.14381	16.0
217.12120	5.9
221.13206	4.4
223.14833	8.3
225.16379	7.1
227.14397	7.3
239.14275	15.3
243.17429	5.7
245.15384	7.1
253.19395	34.8
255.21165	7.9
265.19604	15.1
271.20535	67.3
273.21985	4.4
283.20541	100.0
293.21851	3.8
301.21628	81.4
317.17484	6.5
331.22626	5.1
343.22699	25.7
357.20355	4.5
361.23688	31.1
432.48663	4.0
525.94366	4.1
600.34058	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	600.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
69.07065	2.4
79.05507	1.3
80.78879	1.1
81.07058	2.4
83.08614	6.0
84.51643	1.3
85.02911	3.2
93.07047	1.7
95.08609	6.2
95.82916	1.3
105.07009	9.5
107.08572	5.9
109.10166	17.4
119.08589	9.6
121.10164	7.8
123.11662	2.4
131.08539	7.9
133.10139	8.6
135.11697	5.9
137.13339	1.7
143.08586	12.7
145.10136	9.5
147.11708	8.6
155.08572	12.0
157.10158	16.1
159.08014	9.5
159.11703	5.3
167.11746	1.5
169.10117	65.5
171.11696	18.3
173.13202	4.0
183.11670	33.4
185.13274	1.4
187.14871	1.7
195.11723	2.1
197.13251	22.3
199.11172	10.2
209.13185	2.8
211.14827	8.6
217.12254	2.5
223.14851	2.6
225.16417	9.7
242.51450	1.5
243.17482	21.7
253.19493	100.0
254.93945	1.4
255.21039	6.2
265.19455	11.9
267.21118	1.7
271.20609	1.8
283.20587	30.7
285.22189	1.9
301.21634	48.3
313.21753	9.8
343.22607	8.8
475.34088	1.8
600.14795	12.1
600.33728	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	6.5
58.24799	6.1
61.82990	5.6
69.52460	5.7
70.21764	5.9
80.15483	5.9
93.07030	25.9
95.08577	13.9
105.07034	33.9
107.08607	15.2
110.16779	6.0
119.08576	37.9
121.10152	31.1
123.08074	7.1
131.08572	7.9
133.10126	15.2
135.08058	12.8
137.09616	10.2
143.08586	14.4
145.10133	41.2
147.08026	29.9
157.10081	38.2
159.11713	26.3
161.13321	8.0
163.11226	35.5
165.09061	54.9
169.10094	7.5
171.11641	9.8
173.09660	9.4
175.11134	11.0
181.12202	12.2
183.11736	12.8
185.13199	9.2
187.11148	7.9
190.13527	8.5
191.10640	9.9
193.12248	7.5
197.13280	10.3
203.14287	28.9
207.13788	11.6
215.03801	6.9
219.13922	6.7
221.15363	78.6
234.15982	24.3
247.16852	27.8
247.48039	6.7
263.46719	6.7
279.21454	6.4
299.19931	14.0
325.21579	15.9
340.23428	9.0
352.23822	16.5
357.76700	7.5
419.29111	11.2
427.28140	9.1
440.29077	46.7
442.31284	7.7
520.35382	85.7
600.41254	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	10.2
61.35902	3.5
67.09009	3.5
81.07046	20.8
83.04980	4.4
91.05473	6.9
93.07021	21.4
95.04961	6.8
95.08593	9.9
105.07016	18.5
107.08590	8.8
119.08546	39.3
120.09406	7.4
121.06519	4.4
121.10128	18.8
123.08057	7.1
124.72872	4.2
125.05964	18.7
129.49561	3.9
131.08574	10.1
133.10123	28.7
135.08051	10.5
135.11641	4.6
137.09633	17.4
143.08578	17.0
144.42180	4.1
145.10092	34.5
147.08069	31.1
147.11638	6.4
149.09561	6.2
151.07529	18.9
155.08731	5.1
157.10106	28.4
159.08076	5.3
159.11688	25.6
161.09557	5.9
163.11157	23.6
165.09117	62.9
169.10123	10.5
171.11679	22.6
173.13269	5.9
175.11168	23.6
177.09128	5.5
181.12195	17.2
183.11688	7.7
185.13312	9.0
187.11147	17.6
189.12668	6.5
190.13489	6.5
193.12250	20.5
195.11809	7.2
197.13203	8.4
201.12700	8.4
203.14311	24.6
207.13780	9.7
209.13171	5.2
211.14900	6.4
215.14343	5.0
219.13678	14.1
221.15361	76.3
225.16382	7.6
231.13890	5.2
233.15463	5.5
234.16107	7.4
247.16963	22.2
274.19205	10.1
287.20166	5.2
299.20166	8.9
311.20276	5.4
325.21536	19.1
340.23886	10.2
352.23944	35.8
413.26874	5.4
419.29333	7.3
425.26566	18.5
427.28204	18.9
440.29129	52.6
454.30872	4.9
504.96387	4.7
520.35480	73.9
600.41449	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
80.92187	14.6
81.07066	17.5
83.41844	11.1
93.07035	55.0
95.08628	18.8
105.07026	30.2
107.08569	28.8
109.06519	14.6
113.86941	11.8
119.08582	65.0
121.10128	25.5
123.08055	25.1
127.38017	12.4
129.82872	11.6
131.08571	21.0
131.11130	13.1
133.10072	38.9
135.08017	22.0
143.08517	16.1
145.10115	76.8
147.08043	26.7
147.11768	14.2
149.09593	27.7
150.02597	12.0
151.07625	16.6
155.08557	15.9
156.09480	13.3
157.10092	76.3
159.11720	25.2
161.09634	22.4
163.11160	17.2
165.09109	82.2
171.11697	16.0
175.11105	18.1
183.11722	28.0
185.13210	19.4
187.11197	16.1
195.11728	20.1
203.14349	18.4
209.13243	20.1
213.12923	15.2
221.15335	65.3
226.32816	12.5
233.15300	14.8
237.14702	19.4
248.13988	15.5
253.15866	14.4
255.17429	20.4
274.19186	14.8
301.27573	15.2
303.19565	25.1
307.59763	14.5
325.21561	16.2
352.23941	81.2
507.33899	13.9
520.35492	100.0
599.97455	13.7
600.41492	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46888	4.1
55.05511	8.4
56.68900	3.2
57.07084	8.6
57.71211	3.8
62.66996	3.8
67.05495	6.6
69.03428	6.9
69.07063	6.9
76.85817	6.0
79.05496	17.0
81.07049	19.5
83.04971	16.8
83.08644	4.4
91.05472	10.1
93.07049	46.4
95.04977	10.4
95.08598	26.0
97.06519	4.1
105.07032	45.2
107.08583	44.7
109.06512	7.5
109.10145	18.4
110.50170	4.1
111.08080	5.7
119.08583	52.5
121.06457	6.8
121.10130	35.7
123.08055	21.3
131.08536	21.8
133.06416	7.0
133.10115	36.2
135.08058	25.5
135.11673	8.2
137.09581	21.1
142.07777	7.0
143.08589	36.1
144.09375	10.6
145.10130	51.7
147.08046	24.4
147.11650	17.0
149.09613	21.0
151.07532	24.1
155.08566	6.1
157.10104	56.8
158.10864	9.1
159.08029	8.7
159.11711	28.8
161.09624	21.9
161.13263	4.5
163.11160	10.4
165.09108	48.7
167.10674	6.6
169.10078	17.5
170.10925	8.1
171.11673	30.3
172.12372	6.2
173.09645	6.1
173.13234	16.9
175.11166	24.8
181.12267	5.1
183.11659	19.4
185.13240	9.3
187.11104	8.8
190.13568	5.2
191.14368	5.6
193.10147	5.4
193.12247	9.6
195.11697	10.4
197.13255	6.2
199.11151	5.9
199.14760	5.3
201.12711	8.0
203.14308	23.7
207.11696	9.7
207.13715	6.4
208.14436	4.9
209.13173	9.2
211.14844	10.3
213.12788	13.7
219.13768	7.5
221.13341	9.1
221.15309	60.3
223.14926	7.3
225.12741	6.3
233.15369	23.1
237.14844	28.6
248.13971	8.5
255.17451	10.5
271.16855	6.1
274.19180	7.3
286.19263	10.2
297.18619	6.3
299.20056	19.4
303.19382	30.3
313.21564	18.6
325.21509	8.6
337.21536	5.6
352.23969	68.2
383.25778	5.3
436.11932	5.3
454.30576	5.2
507.34698	5.9
508.35141	5.3
520.35480	100.0
565.27612	4.3
582.40881	5.5
600.41510	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50074	20.4
59.30185	19.6
76.79996	18.2
78.84568	18.3
79.05513	27.3
81.07038	30.0
85.39307	24.5
91.05468	20.5
92.17791	41.5
93.07022	98.1
95.08606	34.8
97.10854	23.0
105.07018	32.7
107.08606	45.9
119.08557	50.7
121.10126	94.8
123.08076	75.6
131.08615	36.9
133.10120	50.6
143.08524	27.6
145.10117	37.0
147.08034	23.0
150.59573	27.7
154.46538	21.2
154.86604	23.1
155.71255	20.2
157.10141	86.6
165.09138	42.0
166.67424	20.6
189.13028	22.2
197.11539	21.0
221.15375	100.0
344.79935	21.5
352.23901	46.1
520.35278	45.8
600.41760	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25028	24.1
62.25731	26.3
69.46136	23.1
74.56962	25.3
92.17838	57.4
93.07041	32.8
95.08564	30.8
98.87466	24.6
105.07003	30.6
118.82021	32.7
119.08578	32.8
121.10163	26.1
145.10107	32.2
159.11760	29.9
164.20050	28.0
165.09047	31.1
171.11653	31.6
185.99342	26.9
212.88974	27.5
221.15417	40.5
221.86029	27.7
255.69220	32.0
256.03546	26.3
430.63373	27.0
435.98123	29.2
520.35254	48.0
600.41736	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	600.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26436	2.6
55.05516	12.2
55.94443	2.5
67.05505	60.3
68.16334	2.3
69.07058	14.3
69.49107	2.4
70.51919	2.8
79.05489	18.8
81.07059	96.2
83.08602	14.4
85.06526	3.4
88.40895	3.5
91.05492	5.5
92.18507	6.1
93.07049	21.3
95.08603	100.0
97.06511	5.7
97.10158	13.4
104.25574	2.8
105.07039	6.6
107.08604	19.7
109.10140	55.2
111.08110	5.3
116.11575	2.9
119.08612	10.5
121.10144	31.6
123.11665	27.7
125.09625	3.4
129.79945	2.7
131.08565	6.5
133.10114	22.5
135.11714	29.2
137.09607	4.4
137.13260	11.6
145.10118	4.0
147.11679	13.4
149.13246	14.6
151.11195	5.5
159.11667	10.7
161.13248	17.6
163.14749	4.8
173.13345	5.9
211.20554	2.8
215.18010	11.2
239.15129	3.1
243.21042	6.8
250.08125	2.7
251.20026	29.3
261.21997	21.6
279.23199	58.4
297.24222	84.7
315.25287	41.3
529.42328	12.0
547.43658	5.6
565.44574	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.3
59.79005	0.6
60.87418	0.5
65.87941	0.6
71.11808	0.7
80.06371	0.7
80.91555	0.6
84.96040	0.7
86.73248	0.6
86.94085	0.7
92.18658	0.6
97.96740	0.6
98.97572	3.2
99.14027	0.7
112.99103	0.9
118.14986	0.6
131.00168	1.1
140.98514	0.6
143.00156	3.2
155.00166	0.7
157.01741	3.6
158.99686	2.6
161.01151	0.8
168.98050	0.8
173.01210	3.0
175.02765	1.1
177.00722	1.2
186.99150	5.5
194.99713	0.7
201.00754	0.8
205.00267	1.0
230.98007	0.8
233.03268	14.4
244.99736	1.1
248.98929	0.7
251.04359	100.0
263.00671	1.0
269.05420	83.0
275.06326	0.7
287.06476	7.3
303.93198	0.7
319.06955	1.5
337.08093	3.3
345.04913	1.5
347.06412	2.5
363.05829	8.3
365.07471	0.9
381.06915	3.3
389.03619	1.4
407.04874	37.5
425.05231	3.4
425.10565	9.1
427.11395	1.4
574.16217	0.7
583.11816	0.9
601.16473	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01276	0.9
54.80946	0.9
79.46253	0.9
94.14576	1.0
114.79313	1.0
224.50847	1.2
239.42570	1.1
279.02579	1.9
311.05173	1.6
346.70529	1.2
431.07153	1.3
449.08191	1.6
466.52164	1.1
544.52960	1.0
601.13092	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	601.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40249	0.8
54.85531	0.7
57.60830	0.7
66.60446	0.7
67.84585	0.8
70.65424	0.8
73.09417	0.9
100.37314	0.9
135.02747	0.9
188.69667	1.1
211.84816	1.0
256.38544	1.0
279.02579	3.4
311.05954	0.8
385.53207	0.9
448.14120	1.0
449.08524	1.6
601.13123	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	601.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54485	0.5
77.47268	0.6
82.08529	0.6
91.24693	0.6
92.18394	0.7
95.04951	0.9
121.02874	18.2
121.03715	1.2
129.06711	0.7
148.95482	0.7
167.03398	3.3
169.07004	0.8
180.51025	0.6
183.48468	0.7
197.68832	0.6
209.06566	0.6
252.67313	0.7
283.05978	2.7
311.09039	3.7
339.08606	16.0
381.09784	4.6
391.07916	1.1
403.08206	1.1
404.08652	0.9
405.08624	2.7
407.07507	1.3
417.05820	2.1
422.10077	0.7
423.10745	7.4
431.07544	4.7
435.10803	4.0
449.08643	100.0
463.10278	22.7
481.11069	8.3
555.12640	2.7
567.83337	0.7
583.12524	4.9
601.13300	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04913	1.7
53.86894	1.8
58.57034	1.9
60.44494	1.6
64.44144	1.8
73.22610	2.1
81.22372	1.7
116.71056	2.1
121.02839	22.5
167.03386	45.6
224.55737	1.9
257.04446	8.2
298.65744	2.3
324.32669	1.9
344.06757	4.7
360.06216	4.0
375.08566	3.2
376.05505	2.9
381.01129	2.4
403.08115	78.0
405.09552	26.1
419.07443	3.0
420.08243	13.3
421.09088	4.1
433.09137	4.3
435.10660	94.9
551.48151	2.3
555.12195	2.5
601.03619	4.8
601.13257	100.0
601.21753	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	601.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92772	0.5
60.92823	0.4
64.76589	0.4
67.05517	0.4
83.36579	0.4
92.17780	0.8
107.08593	1.1
109.10165	0.5
133.10114	2.4
135.04428	8.4
135.08067	0.7
141.05183	1.0
159.04341	0.5
167.03374	0.5
183.64139	0.5
199.03912	0.7
229.04950	0.8
242.02046	1.9
257.04404	8.1
261.03802	0.6
267.03006	0.6
279.10001	0.8
319.09750	0.9
347.09113	1.1
358.08353	14.2
359.09293	0.6
361.10648	2.4
374.07864	8.5
375.08524	1.9
389.10178	7.0
390.07388	12.2
397.80991	0.5
417.09668	100.0
435.10675	16.0
449.19571	1.9
583.12518	1.0
601.13879	11.4
601.29987	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	601.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09700	0.3
70.07265	0.3
81.65460	0.3
92.02621	0.4
95.04962	1.6
105.04549	0.6
121.10832	0.4
125.06007	1.6
135.04417	100.0
161.26515	0.3
167.03395	0.8
178.01770	0.4
240.28214	0.3
242.09767	0.4
245.04410	0.5
279.39923	0.4
283.06036	0.4
311.08994	0.7
322.08575	0.6
323.09149	0.8
324.06412	0.7
339.08563	6.7
351.08640	0.5
381.09647	0.8
407.07782	0.4
417.06027	2.1
431.07837	0.6
449.08704	9.0
449.19379	4.9
473.12207	0.5
583.12317	2.5
601.13409	7.2
601.24371	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	601.2434
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
50.83438	0.3
69.31129	0.3
71.99551	0.3
77.59380	0.3
83.35950	0.3
97.06412	0.4
100.39606	0.3
109.10838	0.3
112.22842	0.3
119.93466	0.3
123.04347	0.3
131.51418	0.3
133.36082	0.4
144.46808	0.3
147.04314	1.3
165.05455	0.3
179.68472	0.3
342.79257	0.3
350.11530	0.4
351.12231	1.2
363.12143	1.8
403.07867	0.4
437.19617	3.3
449.19562	100.0
479.20618	1.2
583.22485	0.6
601.24323	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2621
Annotation	Malleastrone C
Peak:m/z	Relative Intensity
56.35083	1.7
64.16038	2.0
69.07086	1.9
81.07020	2.8
83.08585	2.3
91.05473	3.9
93.07006	4.0
95.08582	3.4
105.07021	8.8
107.08598	4.7
109.10155	3.4
111.57825	2.3
119.08570	8.8
121.06460	2.1
121.10136	4.0
129.07034	2.5
131.08565	3.6
133.10109	4.8
135.08006	3.2
143.08546	7.6
145.10107	10.1
147.11626	2.5
155.08554	9.1
157.04698	8.6
157.10133	11.1
167.08659	3.9
169.10095	12.8
171.08038	3.0
171.11708	3.8
173.13124	1.8
179.08588	3.2
180.09335	2.6
181.10057	13.6
183.11674	11.2
185.09673	3.5
193.10179	9.0
194.10899	2.6
195.11728	16.7
197.09615	4.6
197.13400	3.4
199.14845	2.0
201.08960	1.9
205.10193	2.4
207.11644	4.1
209.13277	12.0
211.11215	3.3
217.09845	2.0
219.11809	3.3
221.13225	4.5
222.13953	2.7
223.14871	2.3
225.16258	2.7
235.14815	4.5
237.16484	6.2
246.14177	2.4
251.17856	3.6
253.15794	3.8
264.15009	2.1
267.17673	2.2
279.17462	3.9
297.18417	2.5
417.22729	2.8
421.19943	2.7
541.24011	87.6
551.37811	2.1
601.25922	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	601.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75765	1.6
63.46802	1.8
81.07061	2.3
89.20708	1.9
91.05492	3.0
93.07017	3.2
95.08595	3.3
105.07008	12.5
107.08569	4.5
109.06470	2.8
109.10114	4.0
111.42960	1.8
119.08572	9.7
121.10094	4.4
129.06955	2.5
131.08611	3.6
133.06470	2.9
133.10129	21.0
134.63631	2.2
135.08028	2.4
135.11671	2.1
141.05203	9.9
143.08505	4.6
145.10112	3.9
147.11676	8.3
155.08553	8.1
157.10091	5.1
159.08012	2.4
159.11696	8.1
161.09628	2.7
169.10135	4.6
171.11670	3.4
181.10062	8.7
183.11652	3.3
185.13280	2.5
193.10152	9.4
194.11024	4.5
195.11703	11.4
197.13345	7.2
204.09195	2.3
205.10176	2.5
206.10884	8.1
207.11740	4.5
208.12514	2.0
209.13240	12.2
211.14766	3.9
219.11758	10.7
220.12476	4.6
221.13235	9.6
223.11221	2.5
223.14760	4.4
231.11667	9.7
233.13402	2.2
235.14880	4.8
237.12680	3.6
246.14034	16.2
246.55077	2.1
251.17955	4.9
261.16333	14.0
279.17398	14.5
286.24661	2.3
297.18610	4.4
357.20758	2.5
363.19229	3.6
402.38348	2.2
415.50977	2.0
449.19382	30.7
481.22003	8.1
541.23987	100.0
601.29218	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67999	0.6
70.68337	0.6
78.96770	0.6
84.26594	0.7
84.90576	0.6
112.96702	0.6
119.08552	0.7
133.10075	2.0
140.24033	0.6
145.10100	0.8
159.09703	0.7
183.12306	0.7
223.14589	0.7
379.09354	0.7
387.52158	0.7
449.19437	0.9
541.25366	0.7
601.27698	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	601.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19854	0.7
54.82466	0.7
69.07069	0.9
70.36320	0.7
80.11886	0.7
81.07043	1.5
91.05479	0.9
93.07037	3.9
93.21241	0.9
95.08601	1.4
105.07043	3.7
107.08607	1.9
109.10145	1.4
112.05930	0.8
119.08561	7.6
123.08087	0.8
129.07005	0.8
131.08603	1.8
133.10164	5.0
135.08040	2.0
141.05232	20.9
143.08583	3.3
145.10172	4.5
155.08577	1.3
157.10178	4.0
159.11823	1.2
181.10323	1.1
197.13289	1.7
207.11833	0.8
209.13234	1.3
221.13217	1.4
235.14919	1.1
263.17914	1.0
266.37158	0.9
303.17093	0.8
363.19290	1.1
381.20862	1.4
389.13733	0.9
421.23615	4.2
439.24637	1.9
449.19757	3.2
481.26144	1.6
541.27661	1.2
601.29974	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	601.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68723	0.9
61.48925	0.7
81.07023	1.2
92.18562	1.4
93.07013	1.5
105.07054	1.4
107.08624	0.9
119.08574	3.9
121.10191	1.0
131.08632	1.2
133.10187	3.1
135.08096	0.8
137.09608	1.0
141.05243	2.0
143.08549	1.2
145.10143	5.4
147.11765	0.9
149.09615	1.7
155.08511	1.1
157.04831	1.3
159.11696	1.4
197.13431	1.6
201.53632	1.0
211.14909	1.2
225.12766	1.2
266.16742	1.0
281.19049	3.6
289.71323	1.0
310.39313	0.9
363.19336	5.5
423.21625	5.5
449.19846	1.2
483.23215	2.9
541.28070	1.6
601.29871	100.0
610.56750	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	601.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37853	2.3
83.04981	4.4
105.29052	3.1
119.08582	3.1
133.10121	12.3
135.04440	5.8
135.08084	2.9
141.05267	4.0
145.10121	3.9
150.76523	3.5
156.03679	5.2
157.04724	16.6
159.61171	3.0
159.62668	3.2
167.03398	4.2
217.92833	3.3
314.82809	3.4
361.64694	3.3
419.10269	6.6
421.92722	3.6
449.19437	16.1
601.15118	10.9
601.30212	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	601.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
60.28616	0.7
60.68449	0.7
65.71651	0.8
67.28909	0.9
68.05397	0.8
76.07064	0.8
81.07035	1.2
83.04985	7.4
90.40546	0.8
93.07061	1.3
95.08553	0.8
105.07030	3.4
107.08599	3.2
109.10155	1.7
117.06968	0.8
119.08558	4.9
119.46861	0.9
121.10157	1.7
131.08467	1.1
133.10104	1.3
135.08057	3.3
135.11664	1.8
141.05208	13.4
143.08496	1.3
145.10147	3.6
149.09589	1.8
155.08609	0.9
157.10115	1.6
163.11157	3.4
167.10889	1.0
169.10095	1.4
183.11694	1.6
197.13176	1.1
209.39034	0.9
211.14886	1.3
253.19481	3.3
281.19025	1.0
287.85721	0.9
363.19202	0.9
381.71982	0.8
393.49493	1.1
402.24420	0.9
421.23483	5.5
439.24670	2.0
456.42914	1.1
481.25623	3.1
541.27759	7.9
601.29803	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	602.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64072	0.5
56.60456	0.7
65.28824	0.8
74.78493	0.8
79.05485	3.9
81.61108	0.6
95.88847	0.7
105.07012	1.3
107.04950	72.6
128.69392	0.6
134.09625	7.0
149.05957	19.2
150.04547	0.7
181.10017	0.7
194.11751	100.0
209.58542	0.8
236.12897	1.3
299.37570	0.7
307.70941	0.8
448.24408	2.1
466.25916	4.1
602.33252	34.6
602.43042	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	602.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
72.48340	0.7
79.05486	1.2
81.07081	0.8
88.55620	0.7
91.05475	90.2
93.07056	3.1
95.08607	1.2
103.05450	1.3
105.07054	5.1
107.04991	1.5
107.08620	4.5
109.10194	3.1
119.04932	14.6
119.05728	0.8
119.08636	4.9
121.06551	1.3
121.10168	3.7
123.08097	1.9
131.08597	1.5
133.10146	3.2
134.09660	20.0
135.08093	1.5
135.11755	0.8
137.09682	1.6
145.10138	1.8
147.08153	1.4
149.09647	1.5
157.10149	1.5
159.08073	0.9
161.09630	1.3
163.59138	0.7
169.10179	1.5
181.10167	1.0
193.10318	0.9
195.11690	0.9
197.13332	1.6
207.11830	0.8
209.13414	1.2
210.11238	100.0
211.11658	3.5
211.15034	0.8
212.11882	0.9
309.84552	0.9
315.19659	1.4
584.31952	7.5
602.33429	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22130	1.1
56.77241	0.8
67.05536	0.9
67.80452	0.8
79.29144	0.9
81.07050	1.0
85.75493	0.7
91.05477	80.4
92.05795	1.6
92.17841	2.1
93.07061	1.5
95.08639	1.1
103.05499	1.1
105.07059	4.3
107.04964	1.3
107.08619	4.6
109.10163	1.7
119.04932	12.5
119.08613	5.8
121.06553	1.3
121.10170	4.2
123.08044	1.9
131.08575	2.0
133.10139	4.1
134.09650	19.1
135.08112	1.0
137.09674	1.6
143.08618	1.0
145.10165	1.4
147.08066	1.0
149.09712	1.2
155.08504	1.0
157.10167	1.0
159.08109	0.9
159.11700	1.4
161.09673	1.1
169.10133	1.5
183.11691	1.7
184.38937	0.9
185.13370	1.1
195.11739	1.4
210.11237	100.0
211.11604	3.4
223.14754	1.1
239.17993	1.0
303.15295	1.0
584.32434	5.8
602.33429	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1496
Annotation	8,8'-Paepalantine dimer
Peak:m/z	Relative Intensity
57.16564	0.9
80.25395	1.0
92.17856	1.6
95.04991	1.2
107.04950	31.8
119.04941	28.1
121.02853	4.8
123.04395	1.8
133.06529	1.0
135.04402	1.3
137.02370	1.7
137.05998	3.4
141.05522	2.3
145.06439	1.0
147.04398	18.8
153.05444	12.7
161.06021	1.3
163.03868	10.3
165.05420	7.2
171.04385	1.5
181.04970	18.1
181.06487	2.8
185.05910	1.0
205.85118	1.1
213.09323	1.2
217.08572	1.3
227.06999	1.5
241.08548	4.7
245.08086	21.6
245.10359	1.4
259.09674	1.9
263.60922	1.1
269.08105	5.4
285.03952	1.8
285.07547	1.0
287.09137	14.3
299.05420	13.3
313.07031	9.3
315.04987	10.5
317.06546	22.8
329.06619	4.7
357.05841	1.2
359.07605	2.3
369.05978	1.7
401.77859	0.9
417.52597	1.1
421.09332	2.3
435.07108	10.8
467.09485	7.8
603.14954	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	603.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52915	1.2
51.86383	0.9
53.74987	1.1
62.24090	1.0
74.43132	1.1
75.28766	1.1
81.01991	1.3
88.17332	1.3
98.97569	2.0
102.58245	1.2
109.51894	1.3
118.51131	1.1
119.01958	1.4
126.74922	1.3
132.00192	1.2
174.99254	1.4
175.02721	1.5
183.05119	1.2
189.00790	6.2
193.00087	3.7
199.04466	5.0
211.04527	1.4
217.05614	4.6
219.01801	1.5
235.06567	19.5
251.04332	12.3
252.04561	1.5
253.05193	2.7
253.07648	30.4
261.08163	2.2
269.05276	12.5
270.05753	2.2
271.05954	1.8
273.02682	1.7
276.06903	2.5
277.07596	17.6
279.09219	1.8
287.09656	1.8
289.07666	1.5
291.03659	4.4
295.08716	1.9
301.07651	2.6
303.09235	100.0
305.07126	30.1
313.07782	8.4
316.17587	1.4
319.08704	7.4
321.10223	14.6
323.08130	13.1
329.07016	6.2
331.08658	22.7
337.09753	2.2
343.08841	6.0
347.08401	8.9
349.09836	18.4
355.08774	2.8
357.47949	1.2
373.09879	1.8
391.07324	2.4
391.11133	13.3
409.07236	28.1
409.11972	24.8
411.13239	20.3
427.12970	26.8
429.08640	1.6
585.18378	2.4
603.19739	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
58.90021	1.0
59.91724	0.9
67.05495	1.9
69.03412	1.0
69.14164	1.1
79.05494	2.5
79.58213	1.2
81.07044	1.2
83.04974	1.8
91.05475	12.4
93.07043	4.4
95.04950	1.9
95.08590	2.3
97.06523	1.6
105.07030	33.2
107.04987	1.7
107.08616	2.3
109.06499	2.7
109.10165	1.7
111.04414	1.5
111.08099	1.2
117.07018	1.8
117.74920	1.2
119.04941	31.7
119.08535	9.4
121.06485	5.0
121.10114	6.3
123.08042	5.0
123.11784	1.1
129.06984	2.4
131.08554	5.7
133.06487	68.2
133.07513	2.2
133.10141	4.5
135.08040	4.7
137.09608	11.2
140.83420	1.0
143.08551	4.5
145.06528	1.6
145.10129	5.5
147.04401	75.8
147.08070	7.9
149.09631	7.5
151.11179	1.3
151.89230	1.2
153.05479	1.4
155.08563	1.4
156.09453	1.6
157.10094	6.4
159.08003	6.8
159.11632	1.4
161.09636	5.0
163.07591	2.0
163.11101	2.8
169.10129	7.1
171.11668	7.7
173.09630	2.6
175.11180	7.0
181.10048	5.5
182.10814	1.3
183.11653	2.4
185.09662	1.6
187.11195	5.9
189.05460	100.0
189.12688	1.5
192.09311	1.9
193.10141	4.5
195.11806	2.6
197.09644	2.2
197.13272	1.5
199.11168	4.6
201.09140	2.1
203.10698	8.8
205.12274	1.5
206.10930	1.3
207.11752	5.5
209.09650	1.9
211.11156	2.4
213.12744	4.9
217.12228	4.8
219.11688	5.1
220.12453	1.7
223.11240	1.5
225.09294	1.8
225.12772	4.8
225.16380	1.5
233.01926	1.2
234.14070	2.1
235.11176	2.1
238.64096	1.2
239.18086	2.4
241.12248	2.1
243.75429	1.3
247.11172	1.8
248.80769	1.2
249.16438	5.7
251.14229	1.3
253.12233	1.2
253.15851	2.3
262.13593	5.8
267.17438	14.6
277.15894	17.0
291.59781	1.1
295.16870	25.8
313.17950	45.1
337.17822	4.7
355.19000	48.4
393.16830	1.9
397.20111	6.9
415.21063	1.7
501.22760	2.3
519.23444	4.5
543.23816	2.4
561.24756	4.6
603.25812	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	604.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16478	1.6
64.72713	1.9
65.71750	1.5
66.81142	1.8
67.05529	1.5
70.49790	1.7
70.55194	1.8
73.77837	1.7
74.41726	1.7
79.05491	3.9
81.07071	3.1
82.95812	1.8
90.71465	2.0
91.05472	4.4
93.07044	10.1
95.04970	14.1
95.08605	3.8
101.47898	2.1
105.03396	100.0
105.04493	6.1
105.07037	12.4
107.04960	1.9
107.08572	4.3
108.93769	1.7
109.06502	3.7
119.08565	7.9
121.06496	10.3
121.10161	8.6
123.08083	7.6
131.08580	4.2
133.06508	11.4
133.10130	8.0
135.04488	6.7
135.08070	4.0
143.08559	3.9
144.05666	1.8
145.06465	2.1
145.10158	2.3
147.04439	2.1
147.08078	8.1
149.05957	8.9
149.09619	12.0
151.07512	8.4
155.08482	3.0
157.10127	6.9
159.08054	4.1
159.11690	2.0
161.09634	8.4
163.07506	2.5
169.10153	8.0
170.96573	1.8
171.08063	2.6
171.11693	4.0
173.09648	4.5
175.07574	2.6
177.09073	13.1
179.08469	2.6
180.09331	2.2
181.10149	4.0
182.10947	2.0
183.11720	9.9
185.09601	4.5
185.13301	2.7
187.11218	4.0
193.10254	2.8
195.11699	11.4
197.09636	12.2
199.11189	14.6
201.09102	3.6
205.10147	2.3
209.09630	7.3
211.11182	9.4
211.14783	2.0
213.09177	8.7
213.12726	11.4
215.10635	6.8
215.14268	2.1
220.12317	3.2
221.13252	3.7
223.11223	12.7
223.14790	2.6
225.09105	4.4
225.12735	2.8
226.09926	2.0
227.10579	2.7
229.12282	3.7
232.22069	2.0
235.14803	7.9
237.12885	3.4
238.13579	2.9
239.10703	3.9
239.14352	8.3
241.12273	10.7
243.10257	3.3
248.11932	2.8
251.10852	2.1
251.14134	2.2
253.15813	8.0
257.15414	2.0
263.14334	8.1
269.11670	11.6
281.15375	12.4
283.13556	2.6
287.12881	12.9
291.13968	2.5
297.14828	2.0
299.16373	9.5
309.14774	15.7
327.15894	46.8
329.13864	4.0
342.67139	2.1
345.16809	13.5
347.14951	9.6
387.17920	4.4
405.19241	2.4
419.46960	2.2
449.19559	4.3
509.21698	22.7
527.22998	2.5
537.74988	2.1
544.41925	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	604.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35721	9.6
60.66290	8.5
62.64079	8.2
66.25784	9.8
69.93487	10.6
87.05573	11.8
95.04899	12.1
131.08600	10.1
143.08557	12.9
147.04474	12.7
157.06416	12.3
157.10152	14.1
161.09550	14.9
173.09589	15.9
175.11259	14.3
181.10121	20.4
182.10931	16.8
183.11658	17.3
185.09601	19.3
192.09372	12.3
193.10152	14.7
195.11630	50.5
197.09618	10.7
197.13226	14.9
198.52678	9.7
199.11183	44.6
207.11673	23.5
209.09612	12.0
211.11201	66.0
213.12808	12.5
223.11299	39.5
225.12781	94.4
227.10728	12.3
235.11174	45.7
237.16670	13.2
241.12230	51.9
247.14841	11.2
253.12218	63.3
265.15958	13.6
271.13251	47.0
289.14514	15.8
293.15240	14.8
311.16364	65.7
313.14246	18.9
329.17587	23.4
331.15460	55.7
349.16415	100.0
371.18539	17.8
389.19522	51.8
391.17358	17.2
407.20264	10.1
449.21552	36.8
451.19498	20.0
492.25067	11.5
509.23730	13.0
555.49158	10.2
604.12268	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	604.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49167	3.3
60.13647	3.2
69.07069	3.7
85.61946	3.6
92.18498	4.0
92.73199	3.3
98.02055	4.1
104.75751	3.4
105.07061	7.4
107.04993	8.7
121.06567	7.0
123.08022	4.6
133.06520	4.1
143.08585	6.1
147.08119	6.4
151.07584	5.1
153.13196	3.4
155.64624	3.6
157.10139	7.6
158.44766	3.4
159.08087	23.9
161.09673	22.2
169.10103	5.2
171.08057	7.3
171.11714	14.4
173.09686	22.0
181.10063	6.4
183.11760	8.4
185.09691	9.1
187.11148	5.9
193.10175	5.6
195.07993	5.6
195.11710	14.5
197.09688	9.3
197.13301	16.1
199.11249	21.4
207.11732	18.6
209.09676	25.4
209.13339	5.6
211.11246	25.7
213.12756	8.3
217.10057	5.0
218.11017	4.6
221.13248	8.5
223.11244	17.5
223.14815	8.8
225.12675	32.0
227.10715	14.6
232.12505	6.5
235.11230	15.3
237.12840	6.7
237.16400	14.2
241.12294	9.2
247.14882	9.3
249.12894	6.2
250.13422	4.4
251.14304	21.3
253.12212	49.7
260.12006	6.3
265.15842	47.9
267.13916	4.2
269.15402	7.9
271.13364	7.8
275.14417	15.2
283.16995	25.4
293.15350	57.3
311.16428	45.8
329.17657	17.0
347.19089	4.0
353.17542	26.8
371.18637	34.8
389.19632	25.8
391.17551	100.0
431.20569	35.8
449.21835	30.5
491.22769	27.0
551.25000	25.2
604.11768	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61530	0.8
67.95614	1.1
91.05470	1.0
95.04937	1.2
107.04954	51.3
107.05682	1.9
111.00867	1.3
119.04932	28.3
121.02880	4.5
123.04427	4.5
126.22084	1.0
133.06482	1.9
139.03923	8.9
145.06480	6.0
147.04410	16.3
149.02376	2.2
151.03903	5.6
153.01846	4.5
157.06429	1.1
161.05972	1.8
167.03426	13.6
168.34840	1.2
171.04361	5.5
174.78004	1.0
179.03348	1.3
185.06006	2.0
187.07573	1.9
189.05519	2.3
193.15170	1.1
199.07539	1.7
213.05518	3.9
221.17340	0.9
227.07028	3.5
231.06517	56.7
231.08725	2.2
245.08151	1.6
246.19337	1.0
255.06610	4.7
257.04318	1.4
259.06128	3.6
273.07498	8.6
285.03940	16.3
287.05435	2.2
299.05469	17.3
303.04977	9.0
315.05063	1.7
331.04449	18.2
333.06021	100.0
345.06143	10.2
373.05548	1.4
375.07019	10.9
427.06918	1.8
437.04303	4.8
437.08771	8.1
469.07574	21.9
478.17523	1.2
534.33636	1.1
605.03833	2.0
605.12903	40.3
605.22668	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	605.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31426	0.4
61.06152	0.4
88.43565	0.5
113.06055	0.6
116.87105	0.5
131.13341	0.4
145.06430	0.4
165.07126	0.5
237.12813	0.5
335.12833	0.6
365.13879	0.5
395.14679	2.5
396.19244	1.8
425.15585	1.0
442.19519	2.9
455.16614	2.2
485.18039	3.3
545.19733	6.9
605.21893	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	605.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26453	0.9
59.04979	1.1
66.15005	0.9
69.07069	2.4
95.04973	1.6
95.08578	1.9
96.39733	1.0
97.06522	4.9
103.05473	35.5
107.08613	1.6
123.08026	2.2
131.04930	100.0
131.08525	1.5
145.06416	1.4
145.10173	1.2
149.09671	2.4
155.08548	1.8
157.10007	1.2
159.11717	1.1
161.09599	1.5
169.10117	7.1
179.08487	1.7
185.09581	1.8
187.11256	1.5
189.96739	1.2
193.10179	2.1
195.11655	4.8
197.09639	6.7
201.03882	1.4
207.11728	4.9
208.12474	1.1
209.09601	4.2
211.11151	1.8
211.14734	1.2
213.12779	2.2
219.11748	1.2
220.12430	1.4
221.09431	1.4
221.13203	1.8
223.11186	3.9
234.14081	2.5
235.14864	1.2
237.16423	1.9
247.11172	2.0
249.16362	5.3
253.15706	2.1
262.13577	2.0
265.15796	4.1
267.13641	1.2
267.17340	5.1
277.15826	9.0
283.17078	3.8
295.17001	14.3
313.17969	2.2
337.17926	2.1
355.19028	5.3
503.24075	1.8
535.00110	1.3
605.27917	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	605.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62535	5.7
60.46495	5.9
89.01164	6.2
90.75394	6.6
96.46744	9.4
103.05428	23.2
131.04913	100.0
169.10080	13.7
197.09599	32.6
207.11632	11.3
220.12520	10.2
223.10966	7.3
235.14848	9.4
265.12183	9.9
267.13730	43.8
267.17429	9.3
277.15955	11.4
295.13315	91.8
295.16727	23.3
296.10593	10.8
324.13379	10.1
505.33981	8.6
550.17914	7.2
605.25262	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65364	0.6
51.72420	0.5
60.43206	0.4
67.05504	1.2
69.07066	0.9
69.49107	0.5
70.34497	0.5
79.05478	1.4
81.07070	0.8
83.05005	0.7
84.27923	0.6
91.05479	4.0
93.07043	1.3
95.04948	2.4
95.08606	1.3
97.06494	0.9
103.05475	30.9
105.07028	6.3
107.04967	1.0
107.08588	3.4
109.06512	1.2
109.10165	2.9
115.05435	0.7
117.06998	1.4
119.04945	0.8
119.08569	4.8
121.06513	1.2
121.10136	4.2
123.08046	0.9
125.65312	0.6
129.06999	1.1
131.04930	100.0
131.08554	3.9
133.06488	0.9
133.10103	3.8
135.08076	4.0
137.05991	0.6
141.07019	0.7
143.08575	3.8
145.06477	0.8
145.10129	2.9
147.04466	0.6
147.08078	5.0
147.11696	0.8
149.09639	2.4
151.07527	0.7
153.05486	0.8
153.07100	0.6
155.08539	2.5
156.09346	2.8
157.10141	3.1
159.08069	2.1
159.11699	1.2
161.09651	1.3
163.07486	0.9
163.11192	0.8
165.06941	0.6
165.09212	0.7
169.10184	2.3
171.07941	0.8
171.11664	5.1
173.09615	2.4
175.07562	1.0
175.11191	1.2
179.08548	2.2
181.10156	3.7
182.10852	0.8
183.11627	4.1
185.09572	1.1
185.13231	2.2
187.11171	1.1
192.09412	1.4
193.10129	3.1
195.11739	3.3
196.12366	0.7
197.09709	2.7
197.13248	2.7
199.11163	3.6
206.10959	1.0
207.11665	4.5
209.13281	2.4
211.11174	2.8
211.14780	1.2
213.12813	0.8
219.11703	3.4
220.12331	0.7
221.13255	1.2
222.10190	0.9
223.11113	1.2
225.12790	3.3
225.16399	1.2
225.83243	0.6
233.13376	0.5
234.14137	2.4
235.11174	0.8
235.14877	0.6
237.12582	0.8
239.10683	0.7
245.22537	0.6
247.11230	2.4
248.11926	0.7
249.16449	4.3
253.12263	1.0
253.15886	1.3
259.14828	0.8
262.13452	4.6
267.17471	6.0
277.15826	9.3
285.18524	1.2
295.16913	21.7
298.51242	0.7
299.97156	0.6
313.17944	11.1
355.18994	8.5
373.19894	0.9
429.67877	0.7
485.22836	1.0
503.24387	2.8
599.16882	0.7
605.27460	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	605.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37989	1.3
63.89180	1.4
64.21481	1.4
67.05491	1.7
67.82310	1.5
69.25584	1.4
92.17820	3.5
131.04883	2.5
133.10226	1.5
133.37138	1.4
143.08556	1.8
169.10101	19.0
193.10150	2.5
199.07564	2.1
237.12845	2.2
239.10617	3.7
241.08620	2.2
251.14304	8.1
259.13269	8.0
265.12244	3.0
267.13809	29.6
279.13718	3.2
281.15244	26.8
282.16058	2.7
283.13382	2.4
293.15186	1.8
295.13287	8.3
325.14355	6.8
605.28937	100.0
605.38654	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	605.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
57.07084	0.8
67.05511	0.6
81.07059	2.6
85.10205	0.7
85.31142	0.6
93.07032	0.9
95.08597	0.8
105.06971	0.9
106.19679	0.6
107.08603	0.9
109.20689	0.7
132.85622	0.6
133.10146	0.8
159.11598	0.6
197.30486	0.6
197.62508	0.6
220.74562	0.7
271.74393	0.6
291.19080	4.2
313.27448	1.1
337.23434	16.7
551.35339	0.7
587.46484	3.1
605.43823	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	606.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66961	4.4
67.05492	5.3
69.03420	5.2
77.42992	3.8
91.05460	4.9
93.07013	4.4
95.04934	6.2
95.08604	10.0
97.06519	7.5
105.03387	100.0
105.07023	14.9
107.08563	5.6
119.08552	5.9
121.06501	4.1
123.08030	8.8
130.32648	4.0
131.08452	5.6
135.08028	5.2
135.11743	4.3
143.08517	5.4
145.06439	5.1
145.10069	4.6
149.09587	5.7
155.08563	4.3
159.08073	30.4
161.09586	17.8
163.07632	5.2
169.10094	5.9
171.08078	5.5
173.09602	30.9
181.10094	8.3
183.11694	7.9
185.09610	8.5
186.95912	4.5
193.10089	7.1
195.11731	5.7
197.09576	7.9
198.10240	4.9
199.11151	77.3
207.11736	8.7
209.09604	6.1
210.10548	6.2
211.11214	21.2
213.12689	10.4
223.14682	4.5
225.12703	24.7
227.10652	42.0
237.12819	5.0
239.14287	6.4
241.12175	7.5
241.15831	4.9
244.50409	4.3
250.13585	5.3
253.12099	16.6
265.15839	8.1
271.13211	59.3
281.15237	4.4
283.16940	5.1
311.16333	26.6
329.17612	15.0
331.15372	71.7
371.18466	6.8
431.20517	5.5
485.08810	4.8
553.24945	4.7
562.54437	4.3
595.48108	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	606.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
57.57845	1.5
61.26208	1.2
92.17918	2.0
95.04963	2.8
95.65760	1.3
105.02676	2.3
105.03388	61.7
105.06985	2.2
107.02766	1.4
109.03802	1.7
121.06506	1.6
133.06500	5.8
133.92708	1.6
141.06960	1.6
143.08492	2.6
145.06429	1.5
147.08197	1.7
155.08611	2.6
157.10121	2.0
159.08029	3.7
161.09602	3.2
169.10146	3.3
171.08058	1.9
173.09586	7.0
181.10127	1.9
183.08162	2.6
185.09572	2.0
195.11673	3.2
196.08908	2.7
197.09575	3.0
197.13220	2.9
199.07452	1.6
199.11232	5.8
207.11761	2.1
208.08685	2.2
209.09509	2.4
210.10608	4.6
211.11171	6.2
213.12761	2.5
223.11232	8.6
223.14717	1.6
225.12776	12.4
227.10666	7.9
241.12209	5.8
253.12166	3.4
265.15881	1.9
271.13336	5.8
293.15381	2.7
311.16360	5.9
329.17667	1.7
331.15390	100.0
371.18631	1.6
433.20090	2.1
503.04333	1.6
553.24396	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	606.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79798	2.7
69.03426	3.9
71.04997	3.5
81.07056	3.0
90.46996	2.9
91.05484	7.7
93.07051	4.3
95.04946	4.5
97.06542	6.8
105.03384	100.0
105.07005	6.0
109.06539	3.3
121.06528	5.3
121.10114	4.2
129.06960	4.3
133.06442	5.1
133.10161	4.6
134.09673	29.7
135.08101	4.5
143.08556	6.6
145.10101	4.0
147.08089	5.2
149.05962	4.0
149.22293	3.2
155.08475	4.9
157.10057	6.0
159.08043	16.5
159.15767	2.6
161.09621	13.4
167.08604	4.1
169.10095	6.0
170.50906	3.1
171.11760	4.6
173.09596	15.3
179.08508	3.3
181.10100	16.2
183.11597	4.6
187.11105	3.5
195.11734	6.1
197.09630	7.5
197.13327	4.2
199.11140	37.0
207.11668	5.0
209.09599	4.2
210.11288	6.1
211.11024	10.0
213.09052	3.3
213.12694	6.8
219.11746	3.5
223.11237	4.8
225.12723	13.6
227.10623	33.5
239.14223	5.9
247.14841	3.6
253.12276	16.3
265.15805	5.1
267.13654	3.9
271.13318	38.2
311.16385	18.7
329.17404	12.7
331.15375	50.0
371.18570	7.2
493.22266	14.7
511.23343	4.6
553.24103	4.1
606.30518	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84015	0.7
54.18306	0.7
55.05517	1.1
67.01849	0.8
67.05475	1.3
69.03419	1.1
70.54061	0.7
72.04507	5.4
73.14503	0.9
78.49017	0.8
79.05491	1.0
81.07062	7.9
91.05466	7.1
95.08617	0.9
97.06501	0.9
99.72539	0.9
102.49076	0.9
105.07027	10.7
105.96662	0.8
107.08584	3.7
109.06539	0.9
109.07922	0.9
117.07018	1.1
119.04930	28.9
119.08572	5.4
121.06493	3.1
121.10130	1.0
131.08562	9.7
133.06468	1.5
133.10120	3.6
134.09650	63.8
135.08058	1.0
143.08571	4.6
144.09351	1.5
145.10098	3.4
147.04405	39.3
147.08020	1.0
148.11166	1.0
153.52794	0.8
155.08531	9.5
156.09428	1.0
157.10124	5.8
159.11688	33.1
161.09610	1.9
165.06938	1.1
169.10085	7.4
171.08055	1.3
171.11679	10.3
173.09630	1.2
179.08485	1.7
180.09265	1.3
181.10086	6.1
182.10971	1.1
183.11668	9.3
185.09624	4.1
185.13200	1.6
187.11177	7.7
189.05418	1.7
192.09390	5.4
193.10124	4.0
194.10928	1.8
195.08003	1.1
195.11742	6.3
196.12491	3.3
197.09540	3.9
197.13257	22.3
199.11156	2.1
206.10986	2.0
207.11673	16.6
209.09598	4.5
209.13217	7.5
210.14072	1.6
211.11160	5.5
211.14743	1.6
215.10669	1.4
219.11697	5.4
220.12505	1.3
221.13255	1.7
222.10374	1.1
223.11227	1.4
223.14825	8.3
224.12000	1.7
224.15593	4.3
225.12653	5.8
225.16196	1.1
234.14009	7.4
237.12691	22.2
237.16391	1.2
238.13510	1.9
238.17163	2.1
239.14394	5.8
239.17903	28.5
247.14706	0.9
249.16310	14.6
251.14342	1.6
252.12308	34.6
252.15076	11.3
253.15889	5.6
265.15759	6.5
267.17404	35.7
277.15814	3.5
285.18411	0.9
293.15387	5.2
295.16898	36.7
337.18210	1.0
341.70078	0.8
355.18979	12.7
499.90247	0.9
561.25171	1.1
606.30548	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	606.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42580	0.1
51.41763	0.1
55.05503	0.1
57.03444	0.1
62.15151	0.1
67.05490	0.2
67.25448	0.1
67.65282	0.1
69.03436	0.1
69.07054	0.1
72.04510	0.1
79.05499	1.1
80.17133	0.1
81.07059	0.4
91.05476	11.9
93.07037	0.9
95.04957	0.6
95.08623	0.5
97.06524	0.2
103.05447	0.5
105.07034	1.9
107.04949	0.2
107.08596	1.8
109.06514	0.6
115.05424	0.2
117.07028	1.2
118.06512	0.2
119.04939	2.6
119.08566	1.7
121.06482	0.6
121.10173	0.2
123.08063	0.1
128.06207	0.2
129.07014	1.1
131.08560	1.7
132.08095	0.7
133.06525	0.2
133.10110	1.2
134.09651	100.0
135.08052	1.5
141.07027	0.1
142.07758	0.7
143.08565	1.8
145.06509	0.7
145.10115	0.8
147.04413	0.1
147.08052	0.6
148.11208	0.1
149.09633	0.4
152.06299	0.1
155.08530	0.8
156.09351	0.6
157.06471	0.2
157.10103	1.0
159.08055	0.9
159.11679	0.8
161.05978	0.1
161.09616	0.5
162.09108	0.6
163.07550	0.6
164.10713	0.1
165.07051	0.5
166.07751	0.6
167.08563	0.2
168.09335	0.2
169.10127	1.0
170.10899	0.2
171.08017	0.5
171.11650	1.2
172.08781	0.2
173.09639	0.7
173.13312	0.1
175.07576	0.4
175.11206	0.2
178.36728	0.1
179.08414	0.7
181.10094	1.5
182.10886	0.2
182.61806	0.1
183.08047	0.1
183.11678	0.9
185.09636	0.5
185.13280	0.2
187.11130	0.9
188.57748	0.1
191.08623	0.1
192.09375	0.7
193.10155	1.2
194.10968	0.5
195.11655	0.8
197.09586	0.2
197.13318	0.2
197.48375	0.1
198.10434	0.2
199.11176	2.2
201.12682	0.2
202.07834	0.1
203.08521	0.1
204.09320	0.2
205.10118	0.5
206.08153	0.2
206.10857	0.7
207.11676	1.5
208.09738	0.9
208.12480	0.2
209.09628	0.2
209.13266	0.2
210.11253	6.8
211.11176	0.2
213.12746	0.4
216.09494	0.1
217.10059	0.1
218.10899	0.2
218.57544	0.1
219.11630	1.0
220.12376	0.7
221.09575	0.2
221.13319	0.5
223.11082	0.2
223.14690	0.1
225.12863	0.1
229.10139	0.7
233.13222	0.2
234.13995	0.9
235.11249	0.4
235.14868	0.1
237.12694	0.4
243.11784	0.2
244.12503	0.5
247.11182	0.8
249.12837	0.1
249.16304	0.9
250.10739	0.6
252.12233	0.4
253.15775	0.1
259.14783	0.4
261.12808	0.2
262.13437	0.7
265.15775	0.1
267.17474	0.6
277.15814	1.3
279.17865	0.1
295.16861	1.6
297.18494	0.4
305.35083	0.1
337.18005	1.0
339.19629	0.2
397.20090	1.2
546.28497	0.8
606.30603	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	606.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87798	1.8
51.85526	1.7
59.18792	1.7
67.05491	9.0
69.39351	1.8
79.05480	7.7
81.07035	13.3
87.24461	1.8
91.05486	4.6
93.07025	23.6
95.04951	8.4
95.08593	15.7
97.15125	1.7
105.07027	22.7
105.12019	1.8
107.08586	18.4
109.10159	14.3
117.07005	7.8
119.08572	50.8
121.10139	13.0
122.51118	1.9
130.07780	3.7
131.08566	4.6
133.10120	100.0
135.08028	4.5
135.11687	2.9
137.09630	3.7
141.07095	2.5
142.07683	3.1
143.08524	11.9
145.10114	73.4
147.11679	11.8
155.08521	4.4
157.08945	2.3
157.10022	13.4
159.11646	14.0
161.09601	8.8
163.11185	18.3
167.08549	3.0
169.10121	11.8
171.11664	15.6
173.13222	11.1
179.08560	3.2
181.10083	10.7
183.11668	13.4
185.13252	7.1
194.10921	4.5
195.11708	21.7
197.13260	10.7
208.12471	3.2
209.13206	29.1
221.13338	2.1
222.13942	2.6
223.14815	27.0
235.14777	3.8
237.16360	3.7
250.17169	2.6
265.19485	96.2
283.20575	8.7
325.21664	4.7
385.23755	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	607.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34484	1.0
67.24345	1.0
79.51015	1.2
84.35188	1.1
86.41300	1.0
91.05514	2.1
95.04955	1.6
107.04951	48.0
107.05679	2.0
119.04936	70.4
123.04404	2.1
125.02381	1.6
139.03911	1.6
141.05452	7.2
141.70189	1.5
147.04395	66.7
153.05475	10.7
161.05983	1.7
163.03900	11.0
165.05450	19.6
181.04973	29.8
181.06451	3.1
189.05534	1.6
205.04967	12.2
209.05946	1.9
213.09059	5.8
227.07063	6.0
237.05663	1.6
241.08575	21.1
245.08073	47.1
257.08133	1.9
259.09662	6.7
269.08057	20.4
271.06152	4.9
272.06815	2.0
285.07556	8.1
287.09113	100.0
299.09265	1.3
303.08627	19.1
315.08612	8.2
396.26794	1.2
439.13919	15.4
471.12830	5.8
524.18353	1.5
607.18201	2.5
607.27509	1.6
623.04205	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	607.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09301	1.2
67.69077	1.2
78.10094	1.4
87.45444	1.4
100.62532	1.3
105.56889	1.4
107.04949	73.2
119.04932	80.8
123.04399	2.3
125.02314	2.6
135.04401	5.9
137.05956	3.3
139.03865	13.0
141.05455	14.9
145.06543	1.7
147.04398	81.3
151.03871	2.4
153.05452	15.8
161.05971	2.1
163.03877	26.6
165.05431	22.0
171.04362	1.5
177.05606	1.8
181.04973	38.0
181.06485	6.3
182.07222	1.5
205.04936	18.7
209.05969	1.7
210.06937	1.6
213.09157	6.6
217.04944	7.5
226.06345	2.2
227.07045	9.9
229.08507	3.0
241.08585	23.2
245.08052	27.0
257.08038	6.9
259.06006	6.5
259.09537	11.3
269.08112	21.8
271.05917	18.4
272.06650	2.3
273.07718	2.1
283.06064	2.9
285.07639	17.1
287.09125	100.0
299.09308	1.8
301.06973	3.1
303.08530	20.4
315.08588	24.0
333.09470	2.4
421.12811	7.0
425.12189	3.2
439.10208	9.2
453.11899	5.5
471.12811	25.3
607.17926	7.0
607.27039	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	607.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67753	2.6
54.31458	3.1
55.74297	2.8
56.29011	2.7
67.99032	2.4
69.03426	3.5
78.17991	2.6
80.45507	3.0
83.04974	4.2
85.07658	11.6
95.04949	11.1
100.46741	4.1
105.03400	73.3
105.07073	5.4
105.93400	3.7
107.04958	4.5
121.06532	3.5
124.07572	3.2
131.08568	3.6
138.09050	3.4
145.10120	4.5
147.04395	4.6
147.08057	6.0
149.09622	3.2
155.08571	6.6
157.10161	6.8
159.08150	4.4
161.09669	6.7
169.10097	3.7
171.11644	3.6
173.09656	13.6
181.10097	3.8
183.11748	6.2
184.08868	3.9
185.09607	6.4
187.11140	5.0
192.36888	2.9
193.10089	3.3
195.11690	5.3
197.09584	5.9
197.13303	5.0
199.11194	21.3
207.11711	6.5
208.12463	5.4
209.09753	4.5
211.11203	12.6
211.82944	2.8
212.12027	12.2
222.14119	2.8
225.12721	13.3
237.12802	4.3
239.14342	6.7
247.14769	4.7
251.14267	5.0
261.10474	5.6
287.11905	5.4
289.09952	5.0
293.15250	3.9
307.11063	10.4
311.16446	2.9
329.13013	14.4
345.17749	2.8
347.14081	24.8
365.15182	17.1
367.13083	100.0
376.16522	7.0
393.17017	4.5
394.17404	20.0
396.19345	3.6
399.80164	3.0
404.15933	3.1
420.15683	3.9
422.17184	6.5
424.19095	3.3
425.18021	3.6
426.20010	6.4
441.19159	3.1
450.16748	12.2
463.49866	3.2
559.25946	11.5
589.27057	33.6
607.27765	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	607.2565
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.27637	0.7
57.97111	0.8
58.21063	0.8
67.05500	1.4
67.54424	0.7
69.07063	0.7
70.85867	0.8
79.05487	1.6
81.07034	1.2
91.05475	0.8
93.07038	1.2
95.08617	1.4
97.06504	0.8
105.07061	0.9
107.08591	1.2
111.64934	0.8
115.29092	0.8
119.08560	1.1
137.05994	0.8
149.06001	0.8
149.38770	0.9
281.12726	0.8
419.22458	5.4
431.18430	1.6
433.20261	3.1
445.20477	3.5
446.20956	9.6
447.21683	13.5
447.27289	1.1
461.19769	1.0
473.19370	0.9
474.20511	14.7
475.21051	15.7
491.20007	1.5
491.25876	1.1
501.22836	2.8
505.22122	1.1
519.24023	20.8
529.24188	0.9
547.23407	58.3
577.36029	1.0
579.25940	3.9
589.47028	1.2
607.25531	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	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
66.58937	0.9
71.31048	0.9
76.63026	1.0
96.57529	0.9
111.37027	1.0
199.04742	1.0
272.45746	1.1
332.77563	1.3
419.22498	2.1
431.18268	1.4
433.20660	1.3
445.20032	1.8
446.20871	11.6
447.21844	9.6
474.20462	8.2
475.21347	5.7
491.20953	4.3
519.23981	27.9
547.23419	18.2
579.25763	7.3
607.25452	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	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74094	0.8
57.03955	0.8
79.84296	1.0
83.19848	1.0
86.20845	1.0
100.14265	1.1
107.04963	10.6
119.04921	8.6
121.02843	1.4
123.04453	2.2
124.07586	1.4
131.60161	1.1
136.07623	1.8
137.05997	1.5
138.09129	1.8
139.03911	6.3
140.07127	1.7
141.05388	1.2
144.76617	1.0
147.04398	12.2
151.91695	1.0
153.05478	4.4
163.03874	2.3
165.05495	4.5
168.06520	1.5
171.50266	1.1
181.04912	5.4
205.04956	2.6
241.08698	1.9
241.13632	1.1
245.08069	9.8
253.09648	1.2
255.11360	2.3
267.11310	2.5
269.08133	2.4
269.13113	1.2
275.13849	1.6
285.12280	2.3
287.09140	13.8
295.10742	4.3
297.12390	4.1
303.08621	4.6
313.11871	23.3
315.13379	61.0
316.90695	1.1
323.76172	1.1
331.12872	13.8
361.17731	1.2
378.18268	6.5
396.19229	5.0
422.17102	61.6
423.17789	2.1
424.17984	7.7
442.19757	4.4
466.32150	1.1
468.17636	67.3
469.17426	1.4
470.18390	4.0
488.27835	1.1
561.27167	1.5
589.26892	2.5
607.27557	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	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09517	0.8
58.96117	0.8
71.07681	0.8
75.59392	0.8
85.52200	0.8
94.62025	0.9
120.08075	1.0
138.09090	8.3
141.27113	0.8
199.69362	0.9
255.11255	4.8
257.89957	1.0
261.08572	1.1
262.43567	0.9
285.12396	1.9
315.13385	33.6
331.12909	1.3
340.49960	1.1
378.18161	5.0
382.21442	5.8
396.19131	9.0
422.17062	65.3
423.17511	1.9
424.18280	8.3
442.19986	4.8
468.17654	65.0
469.18030	1.1
470.18393	4.2
547.25708	2.0
589.26208	2.0
607.27594	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	607.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85255	3.1
63.72549	3.1
66.46074	3.2
79.12891	4.2
93.07029	5.7
94.93787	3.4
95.08597	4.9
98.45826	3.3
103.05472	23.9
105.07043	4.4
119.08569	24.0
131.04927	100.0
131.80089	3.6
133.10117	5.6
143.08450	3.8
155.08466	4.2
157.10086	15.8
159.11676	5.7
169.10074	8.4
173.13400	3.7
179.08601	4.1
192.25435	3.5
195.11734	20.1
206.10921	4.1
209.13271	6.1
219.11751	4.2
221.13339	5.6
223.11211	5.5
237.12743	8.9
239.14307	24.0
251.18117	5.2
279.17429	55.7
297.18491	18.4
299.16025	4.0
339.19556	24.2
399.21817	18.9
449.35031	4.3
487.24612	8.5
497.99512	4.1
607.43524	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	607.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	1.9
78.03196	1.4
79.05503	5.5
81.07046	7.7
89.64565	1.5
91.05476	7.3
93.07036	9.8
95.04968	3.5
95.08620	5.2
97.06556	3.9
97.07192	1.5
101.67699	1.4
103.05470	34.0
105.07031	12.4
107.08598	12.9
109.06514	8.8
109.10163	3.1
111.08043	2.0
117.07043	2.4
119.08562	15.8
121.06499	2.8
121.10125	3.3
123.08054	1.4
128.06142	1.5
129.06967	3.5
131.04921	100.0
131.08572	13.8
133.10104	14.2
135.08054	3.6
137.09628	2.7
137.63997	1.7
141.07094	1.5
142.07819	2.0
142.58276	1.4
143.08580	15.4
145.10089	9.2
147.04477	2.0
147.11664	3.4
149.09578	3.1
155.08542	9.6
156.09253	1.8
157.10107	12.1
159.08035	6.2
159.11685	8.3
161.09621	5.3
165.07007	1.6
167.08611	3.4
169.10173	11.2
171.11690	13.1
173.09610	6.4
173.13181	2.2
175.11252	2.3
179.08632	6.1
181.10098	16.2
183.11684	17.6
185.09647	2.1
185.13283	7.2
187.11230	5.7
192.09251	2.2
193.10135	6.9
194.10938	3.3
195.11732	12.8
197.09656	2.0
197.13295	6.9
199.11157	9.4
205.10074	1.9
206.10916	7.7
207.11684	9.7
208.12473	1.7
209.09703	1.6
209.13283	11.1
211.11275	2.0
218.11012	1.9
219.11737	8.3
220.12495	8.0
221.13278	11.3
222.14063	2.6
223.11240	2.0
223.14844	2.5
225.12648	3.5
225.16341	1.5
231.11685	12.8
233.13264	2.2
234.14072	7.0
235.14803	6.9
236.15762	2.1
237.12708	2.8
237.16371	6.8
246.14026	22.4
249.12778	1.6
249.16447	10.8
251.14189	1.4
251.17914	13.9
261.16364	26.5
263.17935	3.1
264.15094	2.1
266.19781	1.6
267.17566	1.8
269.18961	5.9
279.17477	33.9
297.18530	16.8
334.91626	1.9
339.19571	5.5
357.20612	5.7
417.22772	1.8
487.24832	6.4
607.28967	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	607.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.2
65.78614	1.1
67.05496	1.3
69.07075	1.9
74.58649	1.1
79.05481	4.4
81.07050	2.6
86.09269	1.2
91.05454	5.2
93.07020	5.1
95.04967	2.4
95.08609	5.0
97.06561	1.2
103.05470	29.2
105.07024	8.1
107.08599	7.1
109.10150	2.0
116.93312	1.3
117.06031	1.1
117.07018	1.5
119.08578	14.1
121.10127	2.8
121.92318	1.2
123.08054	2.7
129.07028	2.3
131.04921	100.0
131.08551	7.0
133.06497	2.0
133.10152	6.0
135.08029	2.5
137.09593	1.3
141.06952	1.2
142.07797	2.0
143.08560	11.1
145.10092	7.9
147.04451	2.1
147.08061	4.5
147.11760	1.5
149.09540	2.4
155.08542	4.8
157.10114	7.4
159.08011	4.5
159.11661	1.5
161.09647	5.4
165.06978	1.1
167.08551	4.9
168.09326	1.7
169.10112	9.9
171.11671	5.0
173.06880	1.0
173.09605	2.0
178.14783	1.1
179.08577	2.5
181.10081	15.6
183.11717	7.7
187.11250	1.3
193.10197	6.4
194.10905	2.0
195.11641	12.5
197.09546	1.8
197.13266	1.6
199.11240	1.6
205.10172	1.8
206.10893	1.5
207.11723	6.6
209.09601	2.1
209.13286	7.4
211.11093	2.1
219.11700	4.3
220.12433	2.1
221.13239	5.6
223.11133	2.1
223.14795	2.6
231.11696	1.7
233.13156	4.4
234.14105	1.9
236.11990	1.2
237.12712	6.4
237.16293	1.9
246.13991	5.3
249.16368	2.1
251.17995	5.5
261.16299	9.9
263.17932	5.1
269.19006	2.8
279.17410	33.3
281.19098	1.9
297.18497	15.5
339.19583	6.2
357.20700	2.0
487.24673	1.3
547.27295	3.6
607.27716	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	607.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07062	2.4
71.65434	2.6
81.07063	5.6
83.08646	2.9
91.05472	6.0
93.07037	9.9
95.04931	4.9
95.08633	5.4
103.05470	26.6
105.07016	13.2
107.08595	12.3
109.06557	3.0
109.10133	4.2
111.08110	3.0
119.08574	22.6
121.10140	5.8
123.08056	3.9
128.06229	2.8
129.06975	2.5
131.04926	100.0
131.08597	4.8
133.06496	2.7
133.10100	12.4
135.08037	5.8
137.09654	2.5
143.08540	15.7
145.10104	9.7
147.11748	2.7
149.09608	10.7
155.08519	4.9
157.10118	5.5
159.07936	2.9
159.11789	3.5
161.09642	5.5
167.08490	4.3
169.10112	14.5
171.11760	2.7
173.09621	5.2
179.08466	3.0
180.09279	4.0
181.10098	10.5
183.11632	10.1
185.09537	3.1
187.11223	5.7
193.10065	4.0
194.10855	5.0
195.11678	12.5
197.13300	5.9
199.11169	3.2
201.12689	2.8
205.10126	4.1
206.10863	25.6
207.11694	3.0
208.12476	2.5
209.09622	4.2
209.13246	11.8
211.14865	9.4
218.10988	2.4
219.11658	3.4
220.12535	3.3
221.13306	29.7
222.14079	3.2
223.11258	3.7
228.44258	2.4
231.11705	2.7
235.14815	5.5
237.12679	9.8
237.16258	5.7
239.14340	15.8
239.60446	3.3
246.14102	15.9
249.12637	4.2
251.17931	15.2
261.16348	20.9
264.15024	10.1
269.18872	2.9
279.17416	38.3
297.18509	21.3
321.18359	3.6
339.19681	5.1
357.20868	2.6
399.21863	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	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.93455	1.7
112.08358	1.8
133.91042	1.7
279.38235	1.8
286.84085	1.6
296.29666	1.8
433.23862	9.7
445.20398	2.5
447.21750	2.1
459.21371	2.5
460.22488	21.8
461.23294	24.6
473.23453	2.0
487.25439	1.9
513.67236	1.8
519.27167	2.9
547.27039	69.5
547.35510	2.5
607.29150	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.82760	0.4
56.53072	0.4
57.41471	0.4
60.75804	0.4
67.04220	0.4
93.97054	0.5
101.14362	0.5
112.20240	0.5
129.53700	0.5
146.31410	0.6
229.03903	0.6
431.18594	4.1
433.24008	3.8
434.24854	0.6
445.20224	2.0
446.20798	0.8
447.21851	3.4
459.21729	3.4
460.22391	16.0
461.23361	14.7
473.23505	4.1
474.24075	1.0
477.23209	0.6
487.24774	2.5
491.20062	0.6
492.24817	0.8
505.22610	2.7
515.24701	0.7
519.24152	2.4
532.24805	2.0
547.27045	41.7
548.27356	0.8
578.25543	0.7
579.29773	0.8
607.29126	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	608.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59246	0.3
57.27898	0.3
58.06615	0.9
65.03949	0.6
67.05520	0.6
72.04511	0.7
79.05486	2.2
81.07074	0.6
91.05473	26.2
93.07017	0.6
95.04988	0.4
105.07027	1.9
107.04950	5.0
107.08612	0.7
107.49747	0.4
115.05441	0.5
117.07016	0.5
119.04932	74.8
119.08604	1.6
121.10172	0.8
129.06982	1.7
130.07779	0.7
131.04918	1.7
131.08536	0.9
133.06480	2.7
133.10112	1.7
134.09644	60.2
135.08025	0.6
141.06970	0.6
143.08551	1.8
145.06483	0.5
145.10071	0.4
147.04398	100.0
148.11214	2.0
149.05957	0.8
151.11189	0.8
153.06972	2.9
153.08139	0.5
154.07803	0.4
155.08542	3.0
157.10097	1.6
158.07288	0.6
159.08020	1.7
161.25340	0.4
165.05461	3.8
165.06976	10.2
166.07762	3.6
167.07147	0.8
167.08542	20.5
168.09299	1.8
169.10097	2.6
171.11873	0.4
177.09148	0.4
178.07765	0.9
179.08536	21.2
180.09332	14.1
181.10100	18.6
183.08060	0.7
183.11647	1.7
187.11127	0.5
189.05466	5.9
189.06944	0.8
191.08443	0.5
192.09341	2.3
193.10104	9.2
194.10800	26.5
195.08063	2.1
195.11700	7.3
197.09575	0.9
197.13261	1.0
203.08553	0.5
204.09401	3.7
205.10199	0.5
206.10881	1.7
207.06441	2.5
207.08188	0.8
207.11655	6.0
208.08919	1.8
208.12474	4.9
209.13239	52.7
210.11241	16.5
211.11133	2.5
211.14644	0.8
213.12737	0.8
217.12277	0.4
218.10805	0.5
219.11720	5.9
221.13264	3.5
222.10396	6.8
223.11182	0.6
225.12657	0.6
227.14185	2.1
233.13173	0.9
235.14629	0.5
236.11948	0.6
237.12712	18.3
239.14230	5.0
246.13902	0.7
250.10588	0.9
251.14333	0.6
251.17920	0.5
252.12277	66.9
253.12050	0.7
255.13629	2.3
261.16220	0.6
269.15253	0.6
279.13821	0.8
279.17282	0.6
288.20358	0.5
296.59515	0.5
297.14816	3.6
299.16315	2.6
339.15799	0.8
341.17435	0.4
359.18423	1.5
431.14212	0.5
442.44977	0.5
488.24036	0.7
520.26263	2.3
548.26312	11.3
608.28418	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66698	0.7
67.26436	0.8
69.03419	1.0
72.04462	0.9
74.40847	0.9
82.90015	0.9
83.59452	0.9
91.05476	67.1
103.05479	3.7
105.06995	1.3
117.07016	1.3
117.59375	0.9
119.04935	31.0
128.13655	0.8
129.06996	1.2
131.08525	2.1
133.06476	1.1
134.09645	86.4
141.06979	1.0
143.08565	2.0
145.06384	1.5
147.04408	29.9
148.11182	1.0
155.08595	2.1
162.21512	0.8
164.10722	3.5
165.05617	1.2
165.07004	6.2
166.07733	1.3
167.08517	11.9
168.09332	1.1
169.10126	5.3
177.21806	0.9
178.07729	4.4
179.08534	20.1
180.09322	6.8
181.10123	17.2
183.08018	1.0
189.07008	1.5
191.08530	7.3
192.09352	5.4
193.10094	9.4
194.10863	15.2
195.07971	1.9
195.11734	5.5
196.08791	1.1
202.07774	1.0
203.08545	6.0
204.09317	24.1
204.11148	1.1
206.10878	14.6
207.08115	1.0
207.11676	9.7
208.09622	4.8
208.12511	1.8
209.09540	1.2
209.13255	27.2
210.11237	43.3
211.11176	3.7
211.14946	1.3
219.11661	32.7
221.09724	2.1
221.13239	20.8
221.15274	1.5
222.10394	17.2
235.11020	1.4
237.12718	100.0
239.14290	1.9
252.12292	18.2
255.13737	2.1
279.13785	19.7
281.15231	1.4
297.14832	22.3
299.16400	1.8
312.91174	1.0
339.15762	0.9
488.24365	6.3
506.25137	4.1
548.26422	49.0
608.28479	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3212
Annotation	Chamaedrine
Peak:m/z	Relative Intensity
51.24384	0.4
55.05520	0.5
56.26800	0.4
57.07077	0.5
63.93417	0.4
67.05497	1.0
68.33297	0.4
69.03439	0.5
72.04507	0.5
79.05483	2.3
81.07047	2.1
83.08627	0.6
91.05477	100.0
93.07044	2.5
95.04942	0.6
95.08595	2.0
103.05446	3.5
105.07024	3.7
107.04961	3.4
107.08578	2.9
109.06501	2.8
109.10139	0.9
117.07030	2.1
119.04933	22.9
119.08573	3.4
121.06486	0.9
121.10168	1.9
123.08047	1.9
129.06990	1.0
131.08609	3.8
133.06438	0.6
133.10130	2.8
134.09654	41.7
135.08055	0.9
137.09637	0.7
141.06931	1.7
143.08543	4.8
145.10123	3.2
147.04408	5.8
147.08084	1.1
149.09624	0.9
151.62669	0.4
155.08571	3.1
157.06396	0.5
157.10146	5.3
159.08057	2.8
159.11659	0.8
164.07004	0.6
164.10753	1.1
165.05611	0.7
165.07033	1.1
166.07774	0.7
167.08606	3.6
169.10152	5.4
171.08026	0.6
171.11693	2.7
171.85164	0.5
173.09557	0.9
179.08611	3.6
180.09326	2.4
181.10100	6.6
183.11685	2.9
185.09645	1.1
185.13283	0.9
193.10136	4.0
194.10951	2.6
195.08080	0.5
195.11691	10.6
197.09720	0.7
197.13263	0.7
199.11182	0.8
203.08313	0.6
204.09389	2.5
205.10089	0.7
206.10889	3.3
207.11691	4.5
208.09647	2.3
208.12556	2.3
209.09633	1.1
209.13254	7.7
210.11241	92.9
211.11249	2.1
211.14815	1.9
219.11652	5.0
220.12527	2.0
221.13235	6.8
222.10359	1.2
222.14030	1.2
223.11224	2.1
223.14832	0.9
225.12715	0.8
231.11772	2.1
235.14824	2.1
236.12006	0.6
236.15555	1.9
237.12714	8.4
237.16464	2.2
239.14413	0.6
246.14053	2.8
249.12672	0.9
249.16451	1.0
251.17986	5.0
252.12294	2.3
261.16425	2.2
264.15143	1.1
279.14224	0.9
279.17395	10.4
297.15128	0.9
297.18539	2.6
315.13617	0.6
339.19681	3.3
357.20432	0.6
382.62079	0.5
399.21732	1.8
413.16400	0.6
493.69522	0.6
509.83878	0.5
542.41132	0.6
548.27435	2.7
608.32208	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92154	0.7
69.07073	1.0
72.04512	0.9
79.05492	3.3
81.03416	1.3
81.07060	1.2
90.98038	0.9
91.05480	64.0
93.07023	4.5
95.04951	1.7
95.08578	1.1
103.05483	1.7
105.03384	1.0
105.07031	7.5
107.04957	30.8
107.08581	5.7
109.06515	1.2
109.10126	1.2
112.73747	1.0
117.07004	3.8
118.35566	1.0
119.04155	1.8
119.04932	20.5
119.08543	4.1
121.06478	2.2
121.10120	7.0
123.08034	1.0
123.11746	1.1
129.06973	1.2
131.04915	9.5
131.08563	4.7
133.06473	1.0
133.10103	9.1
134.09653	73.6
135.08035	1.9
135.11644	1.4
143.08566	4.1
145.10139	2.1
147.04398	10.1
147.08069	1.2
148.11148	1.8
149.06001	5.5
149.09613	1.3
151.11180	3.9
155.08559	4.2
157.10136	4.6
159.08089	4.1
159.11725	1.5
161.09630	3.3
164.10706	1.4
165.06992	3.9
167.08577	7.8
169.10092	5.2
171.11627	2.0
173.09599	1.3
175.07555	1.2
179.08525	8.6
180.09335	4.0
181.10074	6.9
182.10840	1.0
183.11671	4.0
185.13232	1.1
187.11147	1.3
189.09111	1.2
191.08607	1.5
192.09320	1.8
193.10129	5.8
194.11865	30.1
195.11711	10.4
197.09663	1.1
197.13272	1.6
199.11290	1.2
203.08530	1.4
204.09323	4.0
205.39867	1.0
206.10870	6.6
207.11678	8.3
208.09572	1.6
209.09663	2.1
209.13231	20.9
210.11261	53.3
211.11157	4.2
211.14864	1.5
218.10968	1.4
219.11679	7.2
220.12532	2.0
221.13203	11.5
221.98380	1.0
222.10378	1.2
223.11133	1.4
223.14748	1.7
225.12779	1.5
225.16373	1.0
231.11684	3.5
233.13329	1.3
236.15587	1.8
237.12654	11.6
239.14352	5.7
246.14023	4.8
249.16243	1.5
251.17900	2.3
252.12273	4.6
253.12238	3.7
253.15843	1.4
261.16397	1.9
279.13672	2.0
279.17490	1.6
281.15387	1.1
295.16757	1.5
297.18582	1.2
313.17911	2.1
320.49316	1.0
381.19888	1.0
488.24249	1.6
495.32147	1.0
503.39777	1.0
548.25610	7.5
573.11566	1.0
608.32440	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	608.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.8
59.82810	1.4
72.04520	17.0
79.05510	3.3
81.07043	3.3
91.05467	16.6
93.07040	13.8
94.75047	1.8
95.08609	8.4
103.05460	2.8
105.07030	24.5
107.04956	64.4
107.08585	24.1
109.06538	3.0
109.10121	4.1
117.07040	11.7
119.04913	18.2
119.08576	80.8
119.09429	2.9
121.06490	6.6
121.10126	29.7
123.08039	2.8
123.11703	3.2
129.06972	2.0
131.04906	22.9
131.08556	8.9
133.10094	12.6
134.09647	41.3
135.08051	13.9
135.11671	3.5
137.09616	19.4
143.08537	6.9
145.10146	8.1
147.04419	16.3
147.08055	3.1
147.11694	3.8
149.05962	11.2
149.09645	3.1
152.85387	1.8
155.08560	3.9
157.10077	13.3
159.11684	10.1
161.09607	3.1
163.07527	2.5
165.06941	1.9
165.09154	2.3
167.08580	2.8
169.10126	3.8
171.11678	3.0
173.09596	4.1
173.13213	2.4
175.11174	1.8
176.10643	2.2
177.12767	1.9
179.08557	3.5
180.09402	1.9
181.10159	7.9
183.11679	55.1
185.13297	2.2
193.10110	2.7
194.11797	100.0
195.11685	3.0
197.13260	13.4
199.11208	3.9
201.12764	2.1
207.10007	3.7
207.11765	8.1
209.13257	14.3
211.11301	3.5
211.14828	10.2
219.11700	2.2
221.13213	3.1
225.12794	3.1
234.14093	2.3
238.24933	1.8
239.14333	2.4
239.17947	11.7
249.16418	16.3
252.12294	10.5
257.19049	3.8
267.17441	51.7
280.18103	2.0
285.18488	16.9
295.16922	7.6
327.19650	6.8
339.82898	1.7
345.20612	1.8
355.19208	2.0
490.78430	1.7
608.32239	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11079	1.1
57.97682	1.0
59.00982	1.0
60.58918	0.9
64.45589	1.2
73.62086	1.0
77.32611	1.0
79.05491	6.4
81.07039	1.2
91.05492	16.2
93.07049	14.1
95.04942	2.1
95.08588	5.0
105.07052	9.0
107.04960	44.6
107.08578	1.4
107.56030	1.2
109.10175	2.7
112.65079	1.3
117.07027	12.9
119.08573	100.0
121.06535	2.0
121.10138	7.2
131.08528	7.1
133.10106	6.9
134.09654	13.3
135.08041	9.7
137.09616	24.6
143.08646	1.6
145.10054	1.3
147.08049	4.5
149.05975	12.5
149.09601	1.9
155.08499	1.8
157.10124	2.5
159.11664	4.5
161.09570	1.5
163.07536	1.4
169.10095	1.5
173.09618	1.8
179.10701	1.7
181.08598	1.8
182.11002	1.3
183.11736	4.9
185.13194	1.7
192.09299	1.6
194.11765	91.1
197.13135	1.7
207.10008	2.8
207.11720	1.9
209.13199	1.6
237.12900	1.4
239.17908	1.5
249.16403	5.2
253.02505	1.4
267.17447	10.7
295.16830	2.6
355.18973	1.4
430.08398	1.2
608.32129	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	608.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89146	1.0
54.48758	1.0
67.73520	1.0
68.57989	1.0
68.58897	1.1
69.03428	1.3
77.44035	1.2
79.05493	5.0
81.07034	1.9
82.61671	1.3
89.00432	1.2
89.90301	1.1
91.05477	13.8
92.18602	1.9
92.18871	1.3
93.07030	14.9
95.08577	2.1
102.23936	1.3
105.07013	12.5
107.04266	2.3
107.04957	48.3
107.08583	2.8
109.06486	1.5
109.10120	4.9
115.05375	1.4
117.07021	12.9
119.04934	7.2
119.08574	90.3
121.06471	1.5
121.10128	9.9
123.08037	1.8
131.04915	2.7
131.08562	5.7
133.10185	8.2
134.09671	23.4
135.08017	12.3
137.09607	25.4
143.08585	2.4
145.10114	2.3
147.04402	6.7
147.08012	2.3
149.05978	10.9
149.09587	2.6
155.08578	2.7
157.10097	7.0
159.11710	2.8
161.09602	1.8
163.07520	2.5
169.10100	1.9
171.11705	2.4
181.08527	1.4
181.10132	1.7
183.11668	9.9
193.10161	2.0
194.11760	100.0
195.11755	1.9
197.13280	4.9
199.11209	2.5
207.10126	5.2
207.11804	2.2
209.13297	2.0
211.14450	1.3
219.11728	1.4
221.13380	1.3
222.57494	1.2
234.14079	2.7
235.22708	1.1
239.17929	2.7
249.16301	4.8
252.12241	1.7
267.17484	16.1
285.18369	1.6
295.16949	2.2
299.04868	1.3
324.14352	1.3
355.18839	1.2
432.12347	1.4
437.03479	1.4
536.67566	1.3
548.30157	1.4
608.32190	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.6
63.23128	1.3
69.07072	2.3
72.04510	14.8
76.88882	1.3
79.05474	7.5
81.07059	8.0
83.08634	1.6
85.06535	1.5
91.05476	14.0
93.07025	13.9
95.04991	2.0
95.08589	8.0
103.05435	6.0
105.07038	20.2
107.04949	55.8
107.08592	22.2
109.06490	3.8
109.10175	3.2
111.08013	1.9
115.05381	1.6
117.07018	9.7
119.04935	13.9
119.08570	81.9
121.06496	3.4
121.10140	27.1
128.71935	1.6
129.06985	1.8
131.04933	18.0
131.08594	11.4
133.10112	13.6
134.09654	39.7
135.04454	1.7
135.08032	15.7
135.11719	2.4
137.09621	19.0
143.08545	8.2
145.10112	8.3
147.04413	11.6
147.08035	6.8
147.11671	3.5
149.05934	8.2
149.09608	6.9
155.08611	2.5
157.10097	9.6
159.11707	8.8
161.09583	2.2
163.07516	2.2
165.09041	1.6
167.08492	2.5
168.09276	3.3
169.10088	6.4
171.11655	6.0
173.09544	2.8
175.11179	2.9
176.10771	1.8
177.12805	2.1
179.08528	8.1
181.10107	6.0
183.11688	45.9
187.11249	2.2
192.09415	1.9
194.11761	100.0
195.11743	5.5
197.13269	13.2
199.11295	2.0
201.12654	1.8
207.09999	2.2
207.11697	9.9
209.13222	10.8
211.11186	6.7
211.14771	7.5
220.12511	2.4
221.13292	2.4
223.14742	2.8
225.12769	5.9
234.14026	2.3
239.14154	1.6
239.17943	9.8
249.16290	14.3
252.12297	8.9
257.19019	2.2
267.17395	48.6
285.18402	13.9
295.16843	3.1
327.19528	2.3
345.16565	1.6
345.20593	2.3
355.18930	1.9
360.45065	1.6
608.32251	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24384	0.4
55.05520	0.5
56.26800	0.4
57.07077	0.5
63.93417	0.4
67.05497	1.0
68.33297	0.4
69.03439	0.5
72.04507	0.5
79.05483	2.3
81.07047	2.1
83.08627	0.6
91.05477	100.0
93.07044	2.5
95.04942	0.6
95.08595	2.0
103.05446	3.5
105.07024	3.7
107.04961	3.4
107.08578	2.9
109.06501	2.8
109.10139	0.9
117.07030	2.1
119.04933	22.9
119.08573	3.4
121.06486	0.9
121.10168	1.9
123.08047	1.9
129.06990	1.0
131.08609	3.8
133.06438	0.6
133.10130	2.8
134.09654	41.7
135.08055	0.9
137.09637	0.7
141.06931	1.7
143.08543	4.8
145.10123	3.2
147.04408	5.8
147.08084	1.1
149.09624	0.9
151.62669	0.4
155.08571	3.1
157.06396	0.5
157.10146	5.3
159.08057	2.8
159.11659	0.8
164.07004	0.6
164.10753	1.1
165.05611	0.7
165.07033	1.1
166.07774	0.7
167.08606	3.6
169.10152	5.4
171.08026	0.6
171.11693	2.7
171.85164	0.5
173.09557	0.9
179.08611	3.6
180.09326	2.4
181.10100	6.6
183.11685	2.9
185.09645	1.1
185.13283	0.9
193.10136	4.0
194.10951	2.6
195.08080	0.5
195.11691	10.6
197.09720	0.7
197.13263	0.7
199.11182	0.8
203.08313	0.6
204.09389	2.5
205.10089	0.7
206.10889	3.3
207.11691	4.5
208.09647	2.3
208.12556	2.3
209.09633	1.1
209.13254	7.7
210.11241	92.9
211.11249	2.1
211.14815	1.9
219.11652	5.0
220.12527	2.0
221.13235	6.8
222.10359	1.2
222.14030	1.2
223.11224	2.1
223.14832	0.9
225.12715	0.8
231.11772	2.1
235.14824	2.1
236.12006	0.6
236.15555	1.9
237.12714	8.4
237.16464	2.2
239.14413	0.6
246.14053	2.8
249.12672	0.9
249.16451	1.0
251.17986	5.0
252.12294	2.3
261.16425	2.2
264.15143	1.1
279.14224	0.9
279.17395	10.4
297.15128	0.9
297.18539	2.6
315.13617	0.6
339.19681	3.3
357.20432	0.6
382.62079	0.5
399.21732	1.8
413.16400	0.6
493.69522	0.6
509.83878	0.5
542.41132	0.6
548.27435	2.7
608.32208	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.0
67.05501	5.4
70.14223	2.5
72.00661	2.8
78.87713	2.8
79.05462	3.7
81.07043	14.8
85.97677	2.9
91.05470	6.0
93.07048	10.9
95.08601	21.1
103.05473	3.1
105.07014	25.1
105.86966	2.7
107.08593	11.2
109.10146	20.4
119.08561	46.4
121.10114	6.4
131.04877	14.4
131.08556	6.3
131.85283	3.4
133.10129	31.4
142.07779	11.6
143.08589	25.5
144.51335	3.2
145.10146	17.2
147.08043	5.3
147.11790	3.5
153.72729	2.8
155.08566	15.5
157.10097	34.9
159.08015	15.6
161.09605	21.5
167.08562	10.9
169.10147	21.8
171.11679	15.3
173.09695	3.7
179.08574	6.6
181.10130	17.1
183.11652	11.6
185.09587	10.8
187.11203	5.0
192.09293	10.7
193.10143	21.6
195.11716	16.3
197.09625	14.5
199.11121	4.7
201.12869	3.1
203.10628	10.7
205.10077	3.8
206.10986	12.6
207.11702	31.4
209.13304	12.8
211.11096	5.5
219.11589	10.8
221.13239	39.8
225.12758	13.9
233.13226	12.6
234.14130	12.4
235.14735	3.8
239.14156	2.8
241.12265	3.5
248.15578	11.3
263.17932	100.0
268.18042	2.8
281.19031	44.7
323.20087	30.6
383.22137	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22904	2.8
67.17664	3.1
73.52631	2.8
80.32990	2.9
81.07053	6.8
85.98496	3.3
88.84119	2.9
91.05479	7.1
93.07051	5.6
97.06512	5.8
105.07005	4.9
106.57649	3.0
109.06492	5.8
109.39429	3.1
119.08579	26.6
119.24211	3.6
121.06559	5.8
121.10126	4.7
127.87836	3.1
129.06964	3.8
133.10120	21.4
135.08049	26.8
137.09598	5.9
143.08594	3.9
145.06502	31.5
145.10136	4.1
145.28604	3.8
147.08055	42.8
147.11693	5.8
157.10127	12.1
159.11644	17.4
163.07520	77.0
165.09119	27.1
169.10052	11.4
171.11707	14.2
173.13232	5.4
175.14729	2.9
183.11716	20.6
185.13271	3.1
197.13286	23.2
199.11209	5.5
205.08632	12.0
207.11708	14.1
209.13243	14.6
211.11198	5.4
221.13348	3.3
225.12758	15.5
225.16350	3.9
234.14088	7.2
239.14258	4.9
239.17924	29.9
249.16370	26.8
267.17413	100.0
281.69724	3.6
285.18466	44.9
323.14859	30.6
327.19504	79.1
345.20560	16.5
385.23752	3.4
387.21616	50.1
505.27823	6.0
511.89630	3.1
565.29932	13.4
567.46936	4.2
608.34436	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
119.08526	28.2
133.10132	100.0
137.26694	22.3
140.53653	20.8
154.94495	22.6
205.29776	24.8
281.19031	29.0
291.68732	22.5
347.94339	22.5
398.91602	21.7
532.21613	27.6
608.33887	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	608.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37243	2.4
52.23008	2.7
53.92035	2.5
55.21291	3.0
67.05505	5.6
69.03432	3.7
69.56696	2.7
73.70879	3.3
78.54592	3.4
79.05505	4.4
81.03413	15.2
81.07052	5.3
90.52779	3.5
91.05463	18.4
93.06997	26.1
95.04959	21.4
95.08601	15.6
101.51323	3.5
103.05459	4.9
105.07056	23.5
107.08565	21.2
109.06471	4.7
109.10175	3.8
116.47047	3.5
117.06956	4.2
119.08558	38.4
121.10136	6.1
131.04900	34.8
131.08545	13.9
133.10114	100.0
135.08038	21.6
143.08577	20.3
145.10110	29.1
147.07990	3.3
147.11668	14.7
149.09637	4.2
155.08562	4.2
157.10092	18.3
159.11671	6.8
161.09576	33.7
163.11214	3.4
168.91307	3.1
169.10062	5.0
171.11690	17.9
173.09590	4.0
173.13249	16.1
175.11046	6.0
179.08482	3.5
181.10136	4.5
183.11699	16.3
185.13220	4.2
193.10071	6.5
195.11687	8.0
197.13307	5.6
207.11725	24.6
208.12347	5.4
209.13290	16.3
211.14952	3.8
221.13242	20.9
223.14792	5.8
225.12769	5.2
233.13229	13.7
234.14001	5.3
235.14873	4.2
237.16397	6.3
248.15599	15.3
263.17896	59.5
265.19485	22.4
281.18994	45.8
283.20316	3.2
323.20016	18.1
383.22018	24.3
401.23859	3.4
443.24283	15.5
489.28217	4.7
608.37738	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	9.1
67.55302	7.8
81.03432	8.1
91.05440	9.4
93.07030	12.5
105.07015	17.4
106.05841	8.4
107.08573	12.2
114.50114	7.3
119.08566	46.8
133.10143	100.0
137.09660	8.4
143.08569	15.5
145.10130	46.1
157.10117	16.5
161.09604	38.3
169.10110	10.5
173.13350	11.1
183.11700	11.8
195.11684	11.2
207.11714	14.4
209.13226	16.7
233.13208	10.2
244.90086	8.9
248.15704	8.3
263.17966	19.9
265.19473	19.3
281.19055	32.9
383.22192	17.1
443.24319	12.9
533.32794	7.6
608.34570	59.8
626.55157	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	608.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84072	20.1
62.06050	18.4
65.74390	19.3
92.17867	37.2
93.07027	31.1
107.08549	20.9
117.83730	18.8
119.08578	28.1
125.40003	18.6
133.10110	42.1
135.08031	44.9
145.58575	18.0
161.09592	100.0
209.13142	26.9
283.20325	27.1
325.21652	27.7
343.22617	31.1
422.89993	20.8
430.18747	20.7
458.23343	19.2
608.25964	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90025	3.8
55.23167	4.0
62.28817	4.9
64.35541	4.2
67.05499	7.0
68.24576	4.3
71.07213	4.4
79.05486	6.0
79.15543	4.3
81.07048	10.3
91.05455	9.4
93.07032	10.7
95.04974	7.1
95.08571	9.6
105.07002	18.0
107.08581	23.4
107.43655	4.4
107.91023	4.2
109.10144	6.4
115.17564	4.8
117.07005	21.3
119.08587	54.9
121.10177	19.6
133.10120	100.0
145.10121	68.3
147.11717	9.3
157.10143	18.6
159.11668	21.3
163.11189	23.9
169.10135	10.6
171.11700	10.1
181.10158	6.3
183.11768	6.9
192.31084	4.8
195.11723	8.5
197.13263	7.0
209.13223	22.3
223.14809	22.5
257.66422	4.6
265.19467	76.8
283.20605	6.1
325.21423	6.5
385.23743	30.1
548.35272	6.7
608.37750	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70617	3.6
55.89559	2.9
67.05506	5.2
79.05502	3.9
79.79204	3.3
81.07052	4.2
84.15919	3.5
91.05463	6.7
93.07035	15.4
95.04946	6.6
95.08616	6.8
96.77097	3.5
98.59017	3.5
105.07027	16.7
107.08589	8.1
109.10147	5.7
117.06954	4.1
119.08549	38.7
121.10182	3.8
130.17992	3.3
131.08591	6.0
131.98450	4.4
133.10117	100.0
135.11757	5.6
143.08548	6.8
145.10117	53.4
146.10399	4.5
147.11670	7.4
149.08057	4.0
156.09415	3.9
157.10106	7.3
159.11682	5.6
163.11148	9.1
169.10075	6.5
171.11655	8.0
181.10213	4.7
185.13281	6.2
185.40468	3.9
186.74792	3.6
195.11644	14.7
197.13316	6.2
209.13257	24.9
223.14832	18.4
265.19482	73.3
283.20563	5.4
320.18546	4.5
325.21585	5.8
385.23669	17.1
460.81418	4.4
502.69034	3.9
509.08511	4.3
608.37946	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	5.7
55.05511	28.9
57.44591	5.2
59.11951	4.8
59.44285	5.1
61.03305	5.3
63.51463	5.0
67.05508	89.9
69.07056	39.6
79.05489	79.2
80.75771	5.6
81.07043	68.7
83.04979	19.7
83.08620	7.7
88.82014	5.6
91.05457	62.8
93.07040	84.6
95.04956	26.7
95.08611	44.7
97.06530	9.8
105.04509	7.0
105.07030	47.8
107.04944	7.6
107.08565	34.8
108.11981	5.4
109.10188	13.1
117.06975	13.6
119.08559	48.7
121.10150	22.5
123.08038	5.9
129.06963	23.1
131.04904	10.5
131.08591	7.6
133.10130	26.7
135.11697	11.8
143.08580	10.5
145.10149	11.8
147.11713	47.7
149.09596	8.6
161.13274	10.3
163.11121	13.3
171.11673	28.8
275.20074	12.8
281.17337	58.9
349.23822	13.9
367.24969	6.0
461.29074	38.6
475.30563	100.0
529.73987	7.4
555.36658	71.7
573.37848	8.9
608.43494	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	609.1604
Annotation	CHEBI:68144
Peak:m/z	Relative Intensity
64.29701	1.3
70.13114	1.2
93.04049	1.8
111.00842	2.2
111.04492	1.6
115.19844	1.4
123.04408	13.4
127.03909	100.0
135.04404	23.7
139.03894	58.0
149.02344	2.0
151.03876	7.4
153.05457	67.8
161.05937	1.6
163.03886	43.4
165.05452	11.0
167.03369	2.1
177.05449	2.8
179.03539	1.6
181.04976	6.2
187.03940	6.6
191.03368	1.7
193.04971	1.7
195.06534	7.6
197.05772	1.5
201.05441	3.3
203.03552	1.4
205.04927	17.7
215.07103	1.7
227.93358	1.7
229.04982	5.7
243.06470	5.7
247.06001	53.1
247.08424	2.8
257.04495	10.6
259.05978	3.3
271.05957	18.3
273.07632	2.8
275.05621	2.0
287.05450	3.5
289.07025	34.7
301.07022	15.8
321.09674	39.5
324.85828	1.5
339.17648	1.6
350.33133	1.6
367.07321	1.9
423.10812	2.1
441.11975	14.5
457.11224	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	609.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60543	1.3
54.83799	1.6
57.22547	1.6
64.57016	1.8
77.03891	2.4
85.18466	1.8
91.05470	2.6
92.17947	2.3
94.10651	2.3
95.04952	11.2
97.06531	3.1
105.03394	100.0
105.04496	6.3
105.07019	3.8
109.06514	10.1
113.06015	4.3
117.07016	4.6
123.04403	3.3
125.05978	8.7
129.07042	2.0
139.07594	2.9
141.05466	2.1
143.08531	2.1
145.06462	7.7
146.89737	1.8
147.08044	2.3
155.08540	2.9
157.06511	2.6
167.08504	7.2
169.10118	3.1
175.07469	2.0
179.08507	3.2
180.09338	2.3
181.08646	2.2
181.10158	8.4
183.08084	4.0
185.09648	2.0
186.69032	1.8
193.10068	3.6
195.11642	8.4
197.09753	2.3
202.62178	1.7
204.09273	2.6
207.11693	2.4
209.09625	2.1
209.13168	2.5
211.11137	2.4
218.10825	2.2
219.11656	7.4
221.09656	2.9
222.10396	3.2
223.11217	4.5
233.13293	3.1
235.11174	3.4
237.12755	8.6
241.12262	7.3
247.11026	3.3
261.12762	3.4
265.12277	12.4
279.13791	2.9
283.13275	14.3
295.13245	8.5
307.13333	10.4
313.14499	3.1
325.14377	29.9
343.15503	3.3
367.15491	4.2
385.16309	13.7
445.18564	7.4
541.40186	2.3
549.21552	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	609.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36443	0.9
72.16583	1.1
73.48936	0.9
77.03918	1.8
88.34943	0.9
89.13612	1.0
89.95959	1.0
91.05475	4.4
93.07051	1.4
95.04974	14.8
97.06528	5.3
97.29308	1.2
99.04498	1.1
99.52693	0.9
99.69471	0.9
102.24146	0.9
105.03393	100.0
105.04493	3.2
105.07020	4.1
109.06535	7.0
111.08002	1.0
113.05990	4.2
117.07011	4.9
119.04912	1.1
119.08598	1.6
121.06520	1.3
123.04411	1.7
125.05981	5.8
129.06995	5.3
131.04919	3.9
131.08540	1.5
133.06516	1.3
134.62526	1.0
139.07500	1.9
141.07002	2.6
143.08578	2.4
145.06462	7.0
155.07339	1.1
155.08578	5.0
157.06448	1.1
157.10109	1.6
159.08070	2.4
161.05962	3.8
165.06940	1.3
167.08592	5.6
169.10030	3.8
171.08051	4.0
175.07518	1.8
178.07756	1.8
179.08540	5.0
180.09343	1.7
181.08626	1.0
181.10069	7.0
183.08051	5.0
185.09529	1.8
187.07553	1.7
192.09344	1.4
193.10152	5.4
194.10837	1.4
195.08049	2.0
195.11749	6.4
197.09496	3.2
199.11150	1.5
201.09286	1.2
203.08659	1.4
204.09390	2.4
205.10095	4.1
206.11017	1.3
207.11687	4.4
208.08812	2.0
209.09669	4.7
209.13327	1.3
211.07588	1.7
211.11180	2.2
213.12840	1.3
218.10881	3.9
219.11711	6.4
221.09589	6.3
222.10313	2.2
223.11122	9.5
225.09126	2.1
227.10614	1.3
233.13167	1.6
235.11194	5.0
236.11874	1.2
237.12814	9.1
239.10632	3.7
241.12152	3.9
247.11185	2.5
249.12776	1.6
251.10722	1.7
253.12265	3.8
255.14056	1.5
261.12698	1.8
265.12234	8.9
267.13828	4.2
277.12323	1.8
279.13754	5.1
281.11731	1.3
283.13293	14.7
289.12280	1.5
295.13202	6.1
297.14844	2.2
298.29221	1.4
307.13184	9.9
313.14215	4.2
325.14291	27.6
343.15375	4.8
355.15381	1.5
367.15274	5.7
385.16428	9.0
427.17172	1.6
445.18466	8.1
447.17877	2.0
549.21326	4.8
609.23853	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	609.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09277	0.9
121.09287	1.1
142.38271	1.0
259.62732	1.2
344.48535	1.1
353.51953	1.2
447.17538	3.0
461.19531	2.6
462.20209	1.4
463.20963	2.5
475.21286	4.0
476.21701	8.3
477.22766	13.1
478.23492	4.5
487.24930	1.5
521.22034	5.8
531.24133	2.0
533.24884	4.0
535.23767	4.1
549.24854	7.4
550.25311	5.9
577.24158	2.1
580.23877	1.3
609.26935	100.0
609.45148	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
76.58526	1.2
90.27206	1.2
92.17873	1.8
133.73535	1.4
336.95328	1.2
457.23999	1.9
459.21384	2.3
475.21262	6.2
476.21967	8.3
477.22842	6.4
485.17416	1.5
485.23227	13.6
486.20395	2.0
489.22858	5.9
499.21487	4.8
500.22107	1.7
503.24625	7.4
507.24091	1.3
507.82593	1.4
513.23120	1.7
515.24585	12.4
521.25494	1.9
531.23828	18.5
550.25818	6.3
559.23303	8.1
591.26074	11.9
609.27032	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	609.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
110.09679	8.8
124.07588	6.9
128.27573	0.8
136.07542	1.0
138.09131	19.5
164.07083	3.9
164.10739	1.8
166.08633	43.2
177.06664	1.4
183.11328	1.9
184.03368	1.0
192.10197	2.1
193.09761	2.2
235.10756	1.2
243.11491	1.4
244.09749	1.4
245.09166	1.5
257.12878	2.2
258.11331	8.2
261.08710	1.8
263.10248	1.2
269.12750	2.0
270.07520	1.2
275.13892	1.9
286.15656	1.3
287.10233	4.1
289.11853	1.2
301.11838	7.1
314.14902	11.3
316.68680	0.9
321.15765	1.1
339.16956	1.5
353.18521	4.0
363.17038	6.2
365.18588	1.9
367.16965	1.0
381.18066	22.9
382.17044	1.2
391.16440	4.0
408.19318	2.1
409.17630	18.4
426.20291	5.6
440.21796	1.7
452.18350	5.7
485.25729	1.2
591.28363	8.8
609.29175	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	609.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99086	0.8
64.36686	0.8
65.79435	0.7
67.74355	0.8
93.07008	0.9
102.44656	0.8
107.04942	0.9
110.09676	10.9
114.85265	0.8
119.04882	0.9
123.04382	1.1
124.07584	7.1
129.18311	0.8
138.09138	18.5
139.03966	0.9
147.04401	0.9
148.07556	1.9
153.05516	4.0
164.07063	6.3
164.10718	1.9
164.51581	0.8
165.07407	3.6
166.08626	48.9
166.10008	1.7
168.24391	0.8
177.06682	3.3
181.09904	0.9
183.11322	4.8
192.10178	3.1
193.09785	2.0
202.08679	0.9
210.39244	0.8
217.09888	1.3
229.06129	1.4
230.08191	3.6
233.13011	1.0
235.10800	1.5
245.09300	3.7
246.07582	0.9
248.09131	1.2
257.12912	1.3
258.11087	1.0
261.08777	3.8
261.12363	0.9
263.10287	3.7
264.10751	1.1
269.12888	3.0
271.13736	0.8
274.13470	0.8
275.13867	3.1
286.15567	5.0
287.10254	6.2
289.12027	1.0
301.11877	8.8
305.11389	2.0
314.14944	13.8
315.13248	1.4
325.15561	1.3
339.17105	1.9
362.18906	1.0
363.17267	1.8
366.17822	0.8
367.16876	1.2
381.18106	4.2
382.16742	0.8
404.19626	0.9
405.40771	0.9
406.17914	1.7
408.19183	4.4
409.17523	4.3
422.20837	1.2
424.18817	1.0
426.20282	6.9
434.16949	1.1
440.22141	1.0
444.21619	1.4
446.21979	1.4
452.18271	5.1
472.20325	1.0
591.27814	13.4
609.29132	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	609.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49501	0.7
54.96886	0.6
56.24836	0.5
57.18769	0.6
66.91244	0.7
75.74100	0.7
85.17700	0.6
88.62560	0.7
88.67267	0.7
93.07044	0.9
110.09682	9.2
119.04894	0.9
123.04449	1.0
124.07572	6.6
136.07553	1.1
138.09128	22.2
139.03851	1.1
147.04445	1.6
148.07605	0.9
149.83972	0.8
153.05466	3.4
164.07042	5.6
164.10753	1.1
165.07370	1.4
166.08620	47.6
166.10019	1.6
177.06596	2.9
183.11287	1.7
192.10168	1.2
193.09712	3.4
203.08235	1.0
205.08505	1.0
235.10800	1.4
243.11285	1.0
244.09534	1.0
245.09174	3.1
246.07579	1.4
246.11540	0.7
248.09181	1.7
257.12881	0.8
259.10593	0.9
261.08823	5.1
263.10364	4.2
267.62802	0.6
269.12802	1.7
271.14301	0.8
275.13834	3.0
286.15631	4.2
287.10257	4.5
301.11804	9.3
305.11450	4.1
307.12555	0.9
314.14905	10.9
315.13397	1.1
339.16846	1.3
353.18542	1.3
363.17041	1.7
366.18018	1.0
378.17816	1.0
381.18094	5.5
398.20767	1.1
406.17499	1.7
408.19247	3.8
409.17841	3.8
422.20746	1.5
426.19962	7.7
434.17004	1.1
440.21799	1.4
444.21280	3.2
452.18030	4.8
468.21246	1.3
472.20532	1.6
539.41632	0.9
573.26801	1.0
591.27875	9.1
609.29089	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05503	3.9
60.44005	4.1
64.91801	4.1
67.05499	16.5
76.74668	4.1
79.05489	6.7
81.07053	19.7
91.05470	5.1
93.07036	5.4
95.08596	5.0
109.10130	8.7
131.08537	10.1
133.10178	5.7
144.56073	4.3
145.10175	4.7
157.10144	5.4
159.11755	5.2
171.11598	8.2
181.10176	5.9
183.11688	9.6
199.14908	5.9
211.14792	5.1
225.16319	5.3
245.24689	4.2
315.99979	4.8
323.13278	5.7
483.86740	4.8
552.32422	4.0
609.45154	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	610.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.6
66.53084	0.9
67.05480	1.5
74.06078	100.0
79.05473	1.2
81.07063	5.1
85.05266	1.1
85.30933	1.0
91.05478	32.9
93.07065	3.2
93.45588	1.2
95.04913	1.6
95.08617	14.4
105.07025	9.1
107.04956	1.5
107.08587	6.5
109.06533	1.3
109.10155	7.5
109.92652	1.1
113.84559	1.2
119.04926	14.3
119.08569	8.3
120.08121	1.4
121.06508	1.7
121.10121	8.9
123.08058	18.1
123.11688	1.5
131.08524	8.0
132.08076	14.5
133.10112	2.5
135.08035	4.2
135.11665	1.5
137.09608	2.2
143.08542	4.8
145.10135	8.1
145.71613	1.0
147.11655	2.7
149.09647	7.4
150.09148	16.3
151.11151	2.5
157.10135	4.5
159.11694	8.6
169.10098	1.5
171.11653	1.4
175.11145	6.5
177.12704	1.2
181.10081	1.2
183.11697	4.4
187.11176	1.1
191.10736	1.0
192.10216	20.5
193.10197	1.1
195.11684	1.5
197.13246	4.7
205.12230	1.8
207.11742	2.6
209.13261	2.4
210.11266	5.6
211.11128	1.4
220.09680	14.2
221.13187	1.2
226.86392	1.1
227.14346	2.0
238.10724	27.1
239.17793	1.8
249.16315	4.4
251.17999	1.5
267.17407	12.1
290.12021	1.1
295.16803	8.6
313.18002	19.7
321.16031	1.1
331.19043	2.4
373.20023	4.7
505.55496	1.3
526.15460	1.4
592.28912	7.0
610.29987	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	610.3374
Annotation	Segetalin A
Peak:m/z	Relative Intensity
56.01763	1.1
67.05522	4.0
67.27561	0.9
70.98325	1.0
79.05497	6.4
81.07060	4.5
91.05498	8.3
92.17809	2.8
93.07044	5.9
94.67433	1.0
95.04970	4.8
95.08601	18.5
98.58461	1.0
105.03405	8.1
105.07036	14.0
107.04953	90.7
107.08589	5.4
107.33577	1.1
109.06540	1.4
109.10188	2.5
117.06979	1.3
119.08569	11.2
121.10149	5.4
123.08043	14.4
123.11716	1.8
131.08591	5.9
133.10162	4.4
134.09651	7.8
135.08083	2.2
135.11685	3.7
143.08571	4.3
145.10178	8.4
147.08063	1.8
147.11723	1.7
149.05975	16.4
149.09680	1.8
155.08542	1.6
157.10100	6.4
159.11699	1.5
161.09610	1.6
163.11176	2.5
165.06996	1.3
169.10182	1.8
171.11699	4.1
175.11182	1.9
180.09203	1.3
181.10069	3.6
183.11710	4.9
185.13345	1.6
190.85405	1.2
194.11769	80.4
195.11745	6.2
197.13333	1.4
209.13319	5.3
213.12672	1.8
251.17992	2.4
269.19055	2.1
271.16861	9.0
297.18509	4.6
357.21326	1.3
610.33899	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	610.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27173	0.8
55.05521	1.5
55.48283	1.1
65.08853	1.0
67.05507	2.1
69.07076	1.4
69.08511	0.9
69.55263	0.9
79.05481	9.2
81.07060	2.2
83.04971	0.9
83.08633	0.9
91.05476	5.4
91.59246	1.1
93.07047	7.6
93.79044	1.0
95.04971	4.4
95.08618	17.8
105.03397	5.7
105.07030	12.4
107.04954	87.0
107.08619	8.9
109.06507	1.4
109.10181	1.7
119.04987	1.2
119.08585	14.2
121.06507	2.1
121.10155	5.0
123.08054	12.9
130.07841	1.0
131.04947	2.3
131.08571	5.3
133.06479	1.1
133.10124	8.0
134.09630	8.7
135.07990	1.7
135.11674	6.8
137.09647	1.3
143.08580	2.2
145.10088	6.9
147.08066	2.5
149.05988	17.8
149.09578	1.8
151.11299	1.3
155.08644	1.8
157.10185	3.6
159.11700	5.1
161.09618	1.9
163.11182	2.0
167.08716	1.2
169.10132	4.3
171.07996	1.0
171.11729	4.7
173.09525	1.6
173.13272	1.2
177.12819	1.3
181.10149	2.0
181.12230	1.4
183.11719	2.3
194.11768	89.0
195.11732	5.7
197.13246	1.2
197.68097	1.1
207.11801	1.1
209.13196	7.8
213.12831	1.1
221.13266	1.0
222.13980	1.2
236.12805	2.5
236.15436	1.2
239.17947	1.0
251.17973	2.1
268.90262	0.9
269.19077	2.0
271.16922	15.9
279.17477	1.4
279.58264	1.0
297.18677	4.1
315.19650	1.2
321.54630	1.0
610.33722	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	610.337
Annotation	Segetalin A
Peak:m/z	Relative Intensity
59.16639	1.4
67.05483	1.6
74.06059	2.0
79.05498	10.5
81.07027	2.0
91.05477	8.1
93.07043	3.0
95.04981	2.3
95.08593	3.8
105.03408	13.2
105.07028	10.6
105.20940	1.6
107.04953	100.0
107.08587	6.7
114.04182	1.8
119.08575	10.9
121.10178	6.0
131.08543	3.5
133.10112	6.4
134.09666	25.4
135.07985	2.1
143.08621	3.8
145.10147	10.7
147.04492	2.0
149.05968	22.8
149.09654	2.8
151.11157	1.7
157.10110	3.1
157.32253	1.6
159.11667	2.4
161.09555	2.5
168.58063	1.7
169.10165	2.8
180.10255	3.6
181.10138	3.9
192.10139	2.2
193.10222	2.1
194.11757	60.2
195.11702	8.3
209.13313	7.0
210.11317	2.7
211.14844	2.1
215.00476	1.9
221.13356	1.9
251.17865	3.0
279.17419	6.7
297.18417	1.9
339.19241	2.0
341.15152	1.7
365.44421	1.9
532.30060	1.8
550.31488	2.2
592.32825	39.0
610.34027	64.7
630.96094	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	610.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
69.07059	1.0
81.07091	1.1
91.05482	76.5
92.17756	1.1
93.07038	1.4
93.43668	1.0
93.92047	1.0
95.04922	1.3
95.08616	1.5
97.10159	1.3
103.05495	1.6
105.07059	7.0
105.74789	0.9
107.08604	1.7
109.06543	1.0
109.10200	2.3
113.09353	0.8
119.04940	14.9
119.08578	5.9
121.10128	4.1
123.11715	1.1
131.08556	4.7
133.10168	5.2
134.09663	17.5
135.08012	1.3
135.11700	2.0
145.10156	3.7
147.11699	1.6
155.08560	2.2
157.10162	5.6
159.08057	2.2
159.11670	2.0
169.10141	5.4
171.11697	1.5
173.09569	1.5
180.10376	1.0
183.11676	5.1
185.09607	2.0
185.13307	1.9
195.11703	4.0
197.13304	5.8
206.10956	1.1
210.11255	100.0
211.14764	3.6
221.13390	1.1
223.14842	1.7
225.12877	1.2
235.68367	1.1
253.19490	4.0
255.17503	6.3
271.20813	1.3
281.19064	5.2
315.19681	1.6
610.33789	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3379
Annotation	Segetalin A
Peak:m/z	Relative Intensity
55.05518	0.9
55.22483	0.8
67.05514	1.3
67.37701	1.1
79.05491	7.4
81.07039	0.8
91.05495	4.3
91.42010	0.9
92.18533	0.9
93.07067	1.6
105.07027	4.1
107.04954	82.4
107.08599	1.7
119.08615	4.5
120.08086	1.2
120.70084	0.9
121.10184	4.9
126.45452	0.9
131.08600	2.3
133.10135	1.8
134.09703	5.2
143.08569	1.8
145.10149	3.5
149.05988	17.5
155.08563	1.6
157.10185	4.4
159.11768	1.4
163.11345	1.1
165.63049	1.0
169.10133	2.0
171.11678	1.3
173.09737	1.0
176.35349	0.9
181.10162	1.7
183.11792	1.7
185.09834	1.0
185.13290	1.4
194.11771	100.0
195.11736	2.1
209.13333	4.8
210.11293	1.3
211.14844	1.2
221.13264	1.4
235.14792	1.2
236.12831	1.6
245.03436	1.0
246.14537	1.0
251.18234	1.2
269.19171	2.3
271.17029	5.6
279.17590	6.0
284.33276	1.1
297.18530	9.7
300.90915	1.1
305.32141	1.1
315.19894	1.1
357.20941	1.1
610.33966	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.9
69.07045	0.9
74.06085	4.1
74.30353	0.9
79.04570	1.0
83.08588	1.2
84.42897	1.0
90.41785	0.9
91.05480	73.4
93.07026	1.7
95.08589	1.7
104.26895	1.1
105.07031	8.2
107.08592	4.7
109.10158	2.2
119.04952	15.9
119.08572	6.2
119.75679	1.3
121.06454	1.6
121.10123	4.4
131.08563	4.8
133.10147	4.4
134.09656	17.8
135.08080	1.2
135.11699	2.0
143.08553	1.9
145.10117	6.3
147.08066	1.2
147.11708	2.5
155.08559	4.1
157.10107	6.3
159.11693	2.1
161.09624	1.1
169.10098	5.4
171.11685	4.8
173.13338	1.8
175.11230	1.1
181.10205	1.1
183.11777	4.5
185.09602	1.3
185.13223	1.3
190.15038	1.1
197.09770	1.1
197.13232	6.6
209.13278	1.8
210.11243	100.0
211.14854	4.1
253.19514	5.6
255.17375	4.0
271.20584	1.4
281.18967	5.0
299.20175	2.2
315.19641	1.7
335.64343	1.1
341.21249	1.4
596.77734	1.1
610.33734	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39718	1.0
62.40984	1.1
72.04525	1.3
78.13384	1.1
79.05492	5.6
91.05484	1.7
93.07085	1.1
105.03392	5.4
105.07040	1.7
107.04955	100.0
119.05013	1.1
131.04961	1.5
134.09647	8.2
143.08592	1.6
145.10114	1.5
149.05977	24.7
169.10110	2.4
181.10091	1.5
183.11699	1.4
194.11761	96.3
195.11821	2.2
209.13338	2.4
210.11359	1.7
210.31975	1.2
211.14874	2.1
221.13171	1.8
297.18411	1.6
446.42203	1.2
449.23413	1.2
464.27811	2.1
531.68231	1.3
550.31653	2.7
552.29657	7.5
571.08417	1.2
603.89624	1.3
607.82550	1.2
610.33789	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79100	0.6
51.92265	0.6
54.44619	0.6
54.53040	0.7
79.05503	6.4
81.07041	1.0
91.05494	4.7
95.04975	1.2
99.77320	0.7
100.62052	0.8
105.03400	10.3
105.07063	3.1
107.04957	97.7
117.07100	0.7
119.08618	1.3
124.03955	31.3
124.04806	1.1
131.05055	0.8
131.08594	0.9
134.09644	13.4
143.08582	1.3
145.10242	1.0
149.05972	22.5
149.07022	1.1
155.08592	0.9
157.10196	1.9
161.09764	0.9
165.07019	1.2
167.08601	1.1
169.10222	3.3
171.11746	1.5
179.08656	3.1
181.10181	1.6
183.11809	0.9
193.10175	0.8
194.11778	100.0
195.11833	1.5
208.12694	1.0
209.13414	3.5
210.11382	3.2
211.14923	3.7
219.11736	3.0
221.13367	1.9
236.13011	1.8
237.12816	1.0
239.14442	1.1
272.77490	0.8
297.18707	2.9
446.61655	0.8
464.28049	5.3
510.84277	0.9
552.29913	2.9
568.22137	1.7
610.34174	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
55.22483	0.8
67.05514	1.3
67.37701	1.1
79.05491	7.4
81.07039	0.8
91.05495	4.3
91.42010	0.9
92.18533	0.9
93.07067	1.6
105.07027	4.1
107.04954	82.4
107.08599	1.7
119.08615	4.5
120.08086	1.2
120.70084	0.9
121.10184	4.9
126.45452	0.9
131.08600	2.3
133.10135	1.8
134.09703	5.2
143.08569	1.8
145.10149	3.5
149.05988	17.5
155.08563	1.6
157.10185	4.4
159.11768	1.4
163.11345	1.1
165.63049	1.0
169.10133	2.0
171.11678	1.3
173.09737	1.0
176.35349	0.9
181.10162	1.7
183.11792	1.7
185.09834	1.0
185.13290	1.4
194.11771	100.0
195.11736	2.1
209.13333	4.8
210.11293	1.3
211.14844	1.2
221.13264	1.4
235.14792	1.2
236.12831	1.6
245.03436	1.0
246.14537	1.0
251.18234	1.2
269.19171	2.3
271.17029	5.6
279.17590	6.0
284.33276	1.1
297.18530	9.7
300.90915	1.1
305.32141	1.1
315.19894	1.1
357.20941	1.1
610.33966	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3388
Annotation	Segetalin A
Peak:m/z	Relative Intensity
50.63773	0.7
55.09801	0.6
55.10089	0.6
62.45919	0.6
64.61848	0.6
69.07045	0.7
71.21111	0.5
76.06736	0.7
79.05500	7.4
79.69135	0.6
90.47234	0.6
91.05464	3.9
93.07031	2.9
95.08578	0.9
105.07025	3.5
107.04956	100.0
109.06463	1.0
117.06963	0.9
119.04982	0.9
119.08572	4.3
130.55989	0.6
131.08516	1.2
134.09650	11.1
139.79716	0.6
143.08582	3.2
145.10115	0.8
147.04428	1.0
148.04730	0.7
149.05972	20.3
155.08586	2.9
157.10094	1.4
159.08073	0.8
159.11702	1.0
165.06972	2.4
166.08601	1.4
167.08626	1.2
168.09326	0.9
169.10094	5.3
171.11687	0.9
173.09477	0.7
179.08534	3.4
180.09235	1.3
181.10085	5.3
183.11694	2.6
187.11151	0.7
189.48077	0.7
191.08614	1.0
192.09418	2.9
193.10124	4.1
194.11774	72.2
195.11664	7.9
197.13278	1.5
204.09270	0.7
206.10948	7.4
207.11693	1.2
208.12495	1.0
209.09605	1.3
209.13278	5.0
211.11389	1.6
211.14807	6.2
212.64301	0.7
219.11674	0.9
220.12292	1.1
221.13254	13.8
223.11183	4.7
224.11971	1.0
235.14659	0.9
237.12798	4.7
237.16336	1.5
238.13077	1.5
239.14316	8.4
251.17950	2.9
257.15277	1.0
279.17465	11.6
281.15381	0.8
297.14908	0.8
297.18430	3.0
299.16586	0.7
302.18317	0.8
309.68304	0.8
342.31268	0.7
382.18658	2.1
409.17896	0.7
410.17899	2.5
417.22681	3.8
474.26288	1.3
534.28503	9.5
550.27069	0.8
552.29510	9.2
588.36816	0.8
592.32111	3.8
610.34100	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04539	0.5
73.10970	0.6
79.05492	7.2
81.07094	0.8
91.05483	4.2
93.07030	1.2
105.07059	1.5
107.04955	90.1
107.08607	0.8
119.08605	1.5
120.08096	5.6
123.08138	0.8
133.10120	0.7
134.09665	14.8
135.08102	0.6
137.09720	0.6
143.08612	1.0
145.10170	1.2
149.05972	18.1
149.07036	0.9
150.82196	0.6
155.08618	0.6
157.10089	0.8
165.07043	0.7
167.08594	1.5
179.08611	3.3
180.09375	2.8
181.10214	2.8
183.11725	1.1
192.09395	0.7
193.10237	0.9
194.11780	100.0
195.11772	2.3
196.09799	0.6
204.09251	0.9
207.11855	0.9
209.13255	8.3
211.14738	0.7
219.11786	1.0
221.13478	0.8
236.12833	1.1
237.12857	2.6
279.17593	0.8
460.20108	0.6
490.26370	0.9
550.27759	8.4
610.33844	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20317	0.7
69.07097	1.0
72.04490	0.8
79.05505	7.0
90.56070	0.8
91.05492	1.8
93.07038	1.1
95.04915	0.8
105.07024	3.3
107.04954	99.3
107.08618	1.6
113.52061	1.0
117.07043	1.1
119.08586	1.8
120.08132	1.6
121.06528	1.0
121.10165	1.4
129.06978	0.9
131.08563	1.2
134.09692	7.2
135.08098	0.9
143.08571	1.8
145.10121	2.0
147.08005	1.0
147.11699	1.3
149.05969	20.5
155.08672	1.1
157.10130	3.4
159.11685	1.3
167.08549	1.0
169.10199	1.3
171.11749	1.7
179.08498	1.1
181.10135	3.6
183.11742	1.2
194.11768	100.0
195.11734	4.5
197.13429	0.9
201.12718	0.9
207.11684	1.1
209.13303	4.5
223.15086	0.9
235.14700	1.0
236.12904	1.0
251.17978	3.1
269.19144	1.6
271.17044	1.0
276.53949	0.8
279.17386	3.2
297.15591	0.9
297.18369	7.5
610.33801	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3376
Annotation	Segetalin A
Peak:m/z	Relative Intensity
66.77944	1.3
69.07034	1.5
81.74281	1.1
85.10049	1.1
91.05475	83.1
93.07035	2.1
95.08610	1.5
98.26233	1.1
103.05477	1.5
105.07035	8.0
107.08586	2.2
109.10160	1.6
113.72159	1.3
119.04931	18.0
119.08577	5.6
121.10136	2.5
123.11694	1.4
131.08539	2.0
133.10120	2.8
134.09647	16.7
135.11697	1.7
143.08586	5.6
145.10133	2.6
147.07965	1.9
147.11667	5.0
155.08568	5.2
157.10104	6.4
159.08090	1.4
161.09666	1.8
167.62532	1.1
169.10085	2.5
171.11682	4.7
173.09560	1.5
179.95401	1.2
181.10065	1.2
183.11713	2.7
185.09612	1.4
185.13272	1.7
197.13272	6.0
207.11569	1.2
209.13423	2.1
210.11243	100.0
211.14694	2.2
229.15524	1.4
237.16454	2.1
253.19519	2.6
253.65393	1.3
255.17421	7.1
268.88205	1.1
281.19006	5.8
299.20151	1.8
315.19748	1.8
470.19296	1.2
610.33734	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91739	0.9
62.79259	0.9
69.07034	1.5
79.05492	1.8
91.05476	82.5
93.07039	2.4
95.08611	2.0
100.39607	1.0
103.05470	1.9
104.27027	0.9
105.07033	8.8
107.08576	6.0
108.23618	0.9
109.10167	4.5
113.91457	1.0
117.07017	1.7
119.04936	14.9
119.08558	6.2
121.06520	2.1
121.10131	4.4
131.08527	5.4
133.10112	4.6
134.09633	17.6
135.11736	1.2
136.07767	1.1
137.13322	1.0
143.08551	5.0
145.10120	2.2
147.08043	1.7
147.11691	4.2
155.08565	5.9
157.10124	5.5
159.11687	5.7
169.10126	6.6
171.11650	4.3
173.13271	1.7
181.10063	1.8
183.11743	5.3
195.11673	2.0
196.12445	1.0
197.13295	6.2
207.11626	1.6
209.13332	1.4
210.11229	100.0
211.14923	1.3
238.17332	1.2
253.19510	4.4
255.17427	5.9
271.20581	1.4
281.19043	6.2
283.66031	1.2
299.20212	1.7
315.19565	1.8
409.23645	1.1
610.33716	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	610.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86135	1.2
67.05497	2.9
74.06074	1.3
79.05496	7.1
81.07052	2.3
91.05480	5.6
93.07045	8.1
94.66381	1.3
95.04949	1.9
95.08601	23.0
105.03389	5.9
105.07053	13.0
107.04951	100.0
107.08591	5.2
109.06494	1.7
114.88153	1.5
119.08569	13.4
121.10155	7.2
123.08038	15.1
131.08574	3.2
133.10139	5.6
134.09680	10.3
135.08070	2.1
135.10001	2.1
135.11726	6.0
143.08644	5.0
145.10143	7.2
147.08052	2.3
147.11673	1.5
149.05980	20.0
149.09596	1.7
157.10155	8.9
159.11716	2.9
161.09674	1.7
163.11246	3.0
169.10161	6.0
171.11713	2.9
173.13254	2.0
175.11234	1.6
177.12878	2.0
179.08467	1.9
180.09303	1.7
181.10216	3.1
183.11723	5.6
185.13353	1.7
194.11784	79.2
195.11757	6.9
209.13310	7.2
239.14268	1.5
241.19731	1.5
246.46800	1.2
251.17921	3.3
271.16904	9.3
279.17487	1.7
297.18616	2.8
610.33862	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
67.05491	1.1
69.07060	1.7
79.05480	1.4
81.07067	1.1
91.05477	79.4
93.07012	4.0
95.08622	3.8
97.10154	1.0
105.07027	8.8
107.08595	4.5
109.10177	2.1
115.52679	1.1
117.07005	1.7
119.04943	14.3
119.08569	8.5
121.06516	1.6
121.10122	5.6
131.08569	5.1
133.10129	5.1
134.09665	16.3
135.11691	4.3
137.00679	1.1
137.09572	1.5
143.08528	2.1
145.10143	6.4
147.11678	2.5
153.82652	1.0
155.08566	5.3
157.10143	3.9
159.11633	1.9
169.10109	5.2
171.11618	4.0
181.10103	1.6
183.11697	6.1
195.11740	2.1
197.13284	5.8
198.14096	1.2
207.11676	1.4
210.11241	100.0
211.14795	1.4
215.14357	1.6
253.19559	4.3
255.17384	4.2
263.18021	2.1
281.19000	5.8
298.54367	1.0
299.20010	2.2
324.18814	1.1
610.33740	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	7.4
58.46457	1.0
60.08153	5.9
60.68866	1.0
62.06083	2.8
71.07381	1.2
86.09705	24.9
89.94357	1.1
92.18449	1.9
100.21964	1.3
124.99998	14.1
135.08040	2.0
145.06490	67.8
146.56206	1.2
157.10013	1.2
159.11673	1.6
163.07532	16.8
171.11617	1.2
181.86261	1.3
183.11674	2.3
184.07329	100.0
197.13315	5.1
199.11098	1.9
205.08640	11.4
239.14342	2.7
239.17970	6.9
249.16461	5.6
267.17435	16.6
285.18484	7.7
307.15402	15.9
327.19492	29.6
369.24197	2.5
387.21655	6.6
429.26459	4.1
466.41608	1.3
489.28549	2.1
610.37231	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	610.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80626	3.4
55.05521	6.5
55.52722	3.0
60.37898	3.6
61.24323	3.4
62.06076	17.2
79.05486	4.2
81.03422	8.6
81.07069	7.5
83.04976	24.8
91.05467	3.6
93.07034	22.9
95.04960	5.8
95.08607	19.0
105.07029	4.9
107.08586	17.0
109.10098	4.0
111.08023	4.0
119.08540	26.6
121.10152	13.7
131.08574	6.4
133.06541	3.9
133.10129	38.7
135.08037	39.1
143.08568	6.5
145.06491	100.0
145.10126	8.5
147.08047	7.6
147.11607	5.8
155.08513	8.0
157.10141	6.6
159.11684	8.0
161.09570	48.6
163.07555	20.2
163.11169	7.6
171.11707	7.8
183.11652	16.4
185.13223	6.9
195.11795	6.5
197.13235	7.6
205.08539	6.3
209.13234	9.6
211.11243	3.9
223.14793	5.1
225.16586	4.9
239.17999	23.5
249.16487	6.5
265.19553	28.4
267.17422	36.6
283.20566	30.5
285.18585	5.0
325.21527	4.9
327.19507	27.0
342.40793	3.9
343.22784	26.5
351.14407	20.5
396.38773	4.1
447.27560	7.5
473.25085	4.7
610.31696	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	610.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75787	4.8
62.06082	12.7
64.32844	6.9
81.03407	29.2
81.07025	11.7
85.24718	6.9
91.05485	11.6
92.18623	7.7
93.07034	53.5
94.32851	6.3
95.04958	31.6
95.08592	28.0
105.07019	15.0
107.08574	43.0
109.06501	9.1
109.10155	11.4
119.08577	39.5
121.10172	24.9
131.08536	12.7
133.10126	77.4
135.08038	95.4
143.08513	8.3
145.06458	13.1
145.10124	51.4
147.11658	11.7
157.10121	10.1
159.11687	8.9
161.09592	100.0
163.11169	11.3
169.10121	9.1
171.11765	8.7
173.13194	7.5
181.10170	6.7
183.11664	7.5
185.13367	10.1
189.12750	6.5
195.11655	12.2
209.13190	9.4
227.14177	6.3
261.01831	6.0
265.19437	52.0
280.71622	7.3
283.20566	73.5
325.21277	7.1
343.22690	68.3
385.23639	11.4
455.40692	8.1
489.28403	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	610.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73559	3.1
58.94772	3.3
60.00379	3.5
78.60762	3.6
79.05486	8.9
81.03414	19.3
81.07046	16.2
91.05454	7.7
93.07048	38.8
95.04954	20.2
95.08605	8.7
105.07021	23.9
107.08617	30.0
109.10146	17.1
111.08073	6.5
119.08572	53.1
121.10130	21.2
128.54196	3.4
131.08495	13.3
133.10141	100.0
135.08066	45.8
135.11682	5.3
143.08524	5.4
145.10118	81.8
147.11685	17.1
157.10129	20.2
159.11665	25.6
161.09627	35.9
163.11188	7.7
166.60919	3.6
167.08694	4.3
169.10071	7.9
171.11674	19.2
173.13191	9.0
183.11728	8.9
185.13313	4.9
194.10895	5.7
195.11702	24.5
195.41508	3.7
197.13309	15.1
209.13261	35.4
209.95676	3.5
223.14856	20.4
255.21283	4.9
265.19470	94.5
283.20596	24.0
325.21768	8.9
343.22708	33.8
385.23709	58.0
385.31754	5.2
452.30029	4.2
462.73273	4.1
503.29401	5.2
528.42474	4.3
610.38623	7.3
611.20453	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	610.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66344	1.8
52.80103	2.1
67.05499	4.2
75.42140	2.5
79.05515	3.6
81.03407	2.5
81.07056	5.5
91.05487	3.3
92.17813	2.7
93.07067	17.1
95.04960	13.4
95.08609	12.0
102.29018	2.3
105.07031	12.5
107.04945	3.6
107.08591	17.3
109.10152	14.1
117.06981	9.6
119.08569	50.4
121.10146	11.4
130.07765	3.6
130.40385	2.6
131.08582	5.1
133.10115	100.0
135.08038	9.1
137.09621	2.8
143.08556	3.8
145.10123	53.8
147.11673	15.4
155.08627	2.7
157.10086	16.4
159.11682	15.8
161.09586	3.5
163.11171	21.7
169.10100	4.6
171.11702	12.7
173.13223	10.3
181.10057	5.0
183.11717	10.9
185.13293	4.8
187.14909	3.5
194.11008	2.9
195.11723	18.8
197.13263	10.9
207.11742	2.5
208.12515	2.6
209.13275	26.9
223.14803	20.4
237.16380	3.5
265.19464	64.3
283.20679	9.5
325.21637	3.2
332.71002	2.4
385.23688	23.3
409.01169	2.5
519.55267	2.6
610.35803	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45320	0.5
88.69402	0.6
89.00204	0.6
107.08521	0.6
135.04408	56.9
136.54465	0.6
159.95738	0.7
167.03392	2.4
201.89044	0.6
256.07309	0.9
285.07526	4.6
303.04932	2.5
312.06384	0.9
313.06940	0.7
327.04889	0.8
419.07535	1.2
445.12695	1.5
447.07062	0.8
449.64923	0.8
451.70016	0.7
461.08658	7.5
479.09995	1.3
553.11230	4.3
565.11163	3.0
567.12915	2.4
579.12866	24.8
595.12231	8.0
611.15448	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	611.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10435	0.3
58.44878	0.2
59.66946	0.2
61.86810	0.2
62.65776	0.2
75.80786	0.3
82.37688	0.3
92.27026	0.3
107.55369	0.3
118.98238	0.3
121.02873	0.4
149.02365	0.5
151.03972	0.4
163.07458	0.3
165.05466	14.5
167.03383	5.1
269.07733	0.3
283.05984	0.6
297.07669	2.6
308.93158	0.3
311.09106	1.1
339.08743	0.6
382.74048	0.3
391.08249	0.4
417.05423	2.0
429.05402	0.4
430.10266	0.4
431.07440	2.2
445.12970	2.6
449.08560	5.7
518.09668	0.4
519.10834	0.4
521.12366	0.3
535.10260	2.4
537.11517	0.6
547.09930	0.7
549.11859	1.6
553.11328	3.1
561.11676	0.7
563.09534	0.6
565.11334	2.0
567.12952	7.5
569.13989	0.4
577.11206	1.2
578.12024	1.9
579.12799	5.7
581.10803	5.6
595.12335	22.7
596.13239	1.7
611.15472	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	611.1607
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.58546	0.2
55.55013	0.3
57.03431	1.4
61.02908	1.4
69.03416	1.6
73.02917	7.1
85.02463	0.3
85.02911	5.4
87.04432	0.3
90.20952	0.3
93.88095	0.3
97.02888	3.3
97.47533	0.3
115.03913	1.7
127.03881	0.7
133.04977	0.6
145.04884	0.5
146.13058	0.3
303.05093	0.5
317.06537	100.0
322.04709	0.4
479.11777	2.2
520.54028	0.3
611.27527	0.4
629.17957	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	611.1608
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
57.03424	2.0
59.36336	0.4
61.02914	1.8
69.03410	2.7
71.04960	0.5
73.02911	6.3
74.75986	0.4
85.02905	6.0
87.04414	0.4
91.61925	0.4
97.02876	3.3
101.19088	0.4
115.03942	1.6
127.03881	0.6
133.04968	0.6
145.04941	0.4
274.04630	0.6
285.03961	1.7
302.04169	4.9
303.05045	3.3
317.06531	100.0
372.12311	0.4
409.16248	0.5
479.11819	1.9
619.32690	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	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
55.11746	0.3
57.03429	1.6
62.40730	0.3
71.04996	9.2
85.02901	12.1
87.04397	0.5
94.28889	0.4
97.02866	0.5
110.08620	0.4
127.03896	0.5
129.05461	1.8
129.64108	0.4
147.06543	0.6
166.80675	0.4
303.04971	100.0
465.10004	3.4
515.23151	0.4
579.81549	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	611.2465
Annotation	Pringlein
Peak:m/z	Relative Intensity
59.05007	1.0
60.46268	0.7
61.55145	0.6
64.20722	0.6
66.84789	0.5
66.92194	0.6
88.72709	0.6
91.05465	3.5
92.18502	0.7
94.35723	0.7
95.04958	0.8
95.08630	1.3
105.03401	8.2
105.07016	1.6
107.04956	5.9
108.05290	0.9
119.08580	1.1
121.06533	0.8
121.10163	0.7
124.38337	0.7
125.91930	0.7
126.00818	0.6
131.08478	0.7
134.09680	0.9
147.08023	0.7
149.05966	1.0
155.08620	1.1
169.10095	0.8
171.07973	0.8
181.10086	1.2
183.11684	1.0
187.37892	0.6
194.11783	3.4
195.11790	3.2
197.13348	1.2
207.11754	0.7
210.11205	1.3
211.11292	0.8
213.12703	0.8
219.38185	0.7
225.12767	1.3
311.12640	1.4
341.13690	1.1
352.76538	0.8
353.13614	2.6
368.69070	0.7
369.16644	1.3
371.14740	2.5
429.18958	1.6
463.17389	1.4
515.46472	0.6
551.22699	1.4
611.24597	100.0
611.33282	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	611.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03941	2.8
53.04164	0.4
67.09561	0.5
68.90801	0.4
70.13815	0.4
73.61354	0.5
77.03931	1.9
79.05481	0.6
91.05478	1.1
93.07043	1.0
95.04974	11.0
95.22778	0.5
96.95778	0.5
104.41882	0.5
105.03393	100.0
105.04534	2.7
105.07019	1.8
107.04964	3.9
119.08598	0.8
121.06484	3.6
133.06491	3.1
137.05994	0.6
143.08592	1.6
145.06462	0.9
147.08076	2.1
149.05968	7.0
149.09592	0.5
153.82233	0.4
157.10170	0.7
159.08066	0.9
161.09607	4.2
163.07559	0.6
169.10126	0.6
171.08195	0.5
173.06018	3.0
175.07562	0.7
175.11160	1.9
177.09149	1.8
179.10762	0.8
180.09393	0.7
181.10118	1.9
183.07997	0.5
185.09647	1.8
193.10135	0.8
195.11702	2.8
197.09650	2.2
201.09315	0.5
203.10663	0.9
206.10907	1.0
207.11700	0.6
208.09003	0.5
209.08011	0.5
209.09778	0.7
211.11188	0.9
211.14977	0.5
213.12828	0.6
220.12460	0.5
221.13312	0.9
223.11156	3.6
224.12071	0.5
225.09099	0.8
225.12811	0.5
233.09616	0.8
234.10406	0.8
235.14738	1.1
239.10669	0.6
241.12262	1.2
245.13435	0.6
248.12006	0.6
251.10779	2.2
253.15820	0.9
263.14355	2.7
265.12149	0.6
269.11734	2.1
276.11618	0.4
279.13831	0.6
281.15427	3.6
291.13858	3.1
309.14850	5.4
311.12659	1.0
327.15829	2.0
329.13800	0.5
369.17038	1.8
387.18002	2.4
399.05017	0.5
413.17514	0.6
431.18530	2.8
447.20255	1.9
491.20581	0.9
551.22546	1.8
593.23938	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	611.2698
Annotation	Taxuspine K
Peak:m/z	Relative Intensity
51.35667	3.2
67.05500	5.3
78.44135	3.7
79.05460	17.0
81.07046	4.7
81.10712	4.0
91.05477	21.5
93.07047	40.5
95.08604	4.9
95.32832	4.1
103.05441	6.1
105.03363	26.3
105.07014	55.9
105.38919	4.9
107.04964	38.7
107.08553	8.0
108.05283	6.1
109.06493	5.2
109.10132	7.9
117.07004	16.4
119.08562	33.6
121.06505	26.2
121.10142	6.7
123.04401	25.5
123.08037	9.1
123.98920	4.2
126.00631	3.9
129.06992	5.4
130.07748	7.1
131.08572	28.6
133.06474	26.1
133.10135	41.6
137.09584	7.4
142.52774	4.5
143.08553	21.7
145.06482	26.4
145.10121	100.0
147.04410	6.1
147.08064	17.5
149.05988	87.2
149.09557	6.0
155.08540	7.1
157.10144	17.7
159.11723	5.6
161.05974	5.7
161.09554	34.7
163.07602	4.9
163.11147	24.6
167.08501	4.0
169.10115	7.7
171.08159	5.1
171.11659	22.3
173.09605	10.1
181.10130	17.9
183.11664	16.5
185.09628	4.8
185.13243	4.2
192.09322	8.3
193.10104	9.9
194.11760	25.6
195.08246	5.0
195.11781	46.1
197.13339	6.4
199.11157	8.3
205.10103	5.0
205.12259	6.6
206.10878	7.9
207.11676	28.0
208.12340	5.3
209.09706	5.5
209.13229	8.8
217.10132	22.9
219.11678	5.3
220.08914	6.5
221.13242	17.9
222.13983	9.0
223.11177	15.8
223.14809	8.1
225.12741	8.7
231.11771	5.7
232.12430	30.2
233.13228	6.2
234.14021	5.4
235.11142	18.3
235.14780	6.9
236.11935	6.0
237.16422	24.8
247.14833	30.9
251.10623	5.8
251.14178	5.8
253.12251	5.3
255.17448	5.3
260.11960	19.7
265.15814	52.5
267.08472	4.4
275.14346	39.4
281.15347	4.8
283.17010	9.4
293.15363	78.2
311.16397	63.6
335.16226	7.9
353.17419	33.3
371.18396	17.8
413.19409	31.0
431.20599	5.5
451.79874	4.8
611.24719	8.6
611.33759	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	611.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
79.38345	13.4
92.17906	14.6
114.95892	12.9
145.10144	20.5
159.08023	22.6
161.09692	14.7
195.11737	24.6
195.58946	15.3
197.09564	19.5
207.11852	17.0
209.09587	27.8
209.13409	16.8
211.11179	14.6
218.11194	12.6
223.11134	16.3
225.12686	63.7
232.12523	24.2
235.11082	20.6
247.14919	19.6
251.14272	15.5
253.12410	24.8
260.11847	22.9
265.15881	57.1
271.13312	16.0
275.14285	31.3
283.16901	17.6
293.15372	96.9
311.16412	76.4
329.17343	30.8
353.17487	63.9
371.18735	31.7
391.17493	100.0
411.50574	14.4
413.19382	26.1
431.20663	18.2
449.21924	22.0
491.22830	25.7
600.39978	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	611.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78855	0.6
65.01834	0.7
108.76978	0.6
113.75678	0.6
118.06523	1.8
120.96066	0.7
127.03896	3.8
132.08107	0.8
139.03912	5.1
144.08060	4.4
146.06009	30.1
151.03859	1.0
159.09177	4.0
164.75250	0.7
170.06059	1.5
188.07057	100.0
204.89992	0.8
205.09711	38.0
229.74121	0.8
287.05493	1.2
303.04959	1.0
323.13922	0.8
351.18365	0.7
622.55328	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.2
55.52490	1.9
55.98930	1.9
57.03434	4.5
67.05511	28.2
68.20921	2.1
69.07056	11.7
79.05482	23.7
81.07063	35.9
83.08612	5.0
84.99027	1.9
90.68382	2.5
91.05501	24.8
93.07043	27.1
95.08599	31.5
103.14635	2.2
105.07030	24.5
107.08597	19.9
107.82331	2.5
109.10131	14.3
117.07006	5.1
119.08549	22.9
121.10133	19.0
123.11685	3.2
129.07034	2.6
131.08539	17.1
133.10126	21.3
135.11688	11.8
143.08549	5.0
145.10098	21.2
147.11719	16.0
149.13232	8.5
150.23222	2.3
155.08485	3.3
157.10085	9.5
159.11694	13.5
161.13252	10.1
169.10155	2.9
171.11685	11.4
173.13283	13.2
174.66548	2.3
183.11722	3.2
185.13297	11.0
187.14731	3.5
193.90346	2.0
197.13379	3.3
199.14786	5.1
225.16557	2.4
241.19438	3.1
259.20569	14.8
261.21893	4.1
271.37839	2.3
275.70691	2.2
288.41730	2.4
333.24191	5.3
335.25784	17.8
420.51993	2.3
593.45264	4.1
611.46643	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	612.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
55.91162	2.2
67.18555	2.3
70.02934	3.1
74.00671	19.7
83.06110	4.0
84.04500	12.7
99.05576	10.4
111.00822	4.7
112.03973	13.5
116.01663	2.6
118.02228	2.2
127.03921	32.0
127.04774	3.6
128.04266	4.9
129.06604	23.8
130.04993	48.1
131.04559	4.3
135.04381	2.7
139.03899	100.0
140.04224	11.0
145.06100	22.0
151.03886	5.7
153.06630	3.4
155.04514	3.5
155.08186	9.0
163.03926	24.9
171.01122	46.5
177.03328	19.8
178.05019	10.6
179.03366	15.7
180.99576	4.4
183.01112	12.1
185.03889	3.1
191.03447	3.7
195.01184	5.3
197.02654	12.0
198.02194	5.2
199.00604	29.7
199.07176	11.0
203.03380	3.4
204.03743	2.7
224.03784	28.8
225.02179	4.9
231.04341	14.7
243.91008	2.7
245.04443	4.7
250.07268	2.4
258.04971	2.9
263.05557	3.4
275.05264	2.8
287.05472	11.7
288.05872	10.8
289.07266	2.8
290.46198	2.6
300.05917	3.6
301.01550	4.3
305.06308	3.0
306.07257	3.1
319.02679	88.6
319.06155	4.3
327.06369	50.4
345.07501	16.7
399.08188	8.5
412.36929	2.6
426.09045	5.1
443.09778	4.5
444.09906	11.1
465.09729	33.1
474.11761	71.0
483.10513	17.1
519.10693	4.3
537.11572	15.5
594.13641	10.1
612.14935	63.9
621.65973	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	612.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
72.04481	0.9
79.05494	10.3
80.70920	0.8
85.78024	0.6
89.00344	0.7
91.05470	3.8
91.70084	0.6
92.18529	1.3
95.04953	3.8
97.66617	0.7
105.03397	26.9
105.04488	1.1
105.07002	0.8
107.04951	100.0
123.43883	0.6
129.06982	1.3
131.04898	1.5
131.08531	0.8
134.09648	43.8
141.06978	0.8
143.08574	1.4
147.08128	0.8
149.05977	16.2
155.08533	1.2
159.08049	1.3
165.06999	10.1
166.07768	2.9
167.08539	21.3
168.09364	1.2
169.10088	3.0
178.91069	0.6
179.08522	18.0
180.09335	13.9
181.10092	15.1
183.11630	0.6
192.09283	1.0
193.10103	6.0
194.11920	64.8
195.08093	2.8
195.11722	4.2
197.13208	0.9
203.08559	0.8
204.09338	2.7
207.08157	1.1
207.11548	4.4
208.08757	1.3
208.12520	3.1
209.13239	53.8
211.11348	0.8
211.14850	0.7
219.11656	5.4
221.09558	1.2
222.10330	6.7
237.12753	16.2
239.14287	6.6
282.18365	0.9
292.65826	0.7
297.14941	1.5
303.04984	0.9
304.05304	0.7
341.15399	1.0
343.29633	0.8
361.17941	1.4
401.17508	1.4
430.23776	1.2
462.26312	2.3
490.25873	9.9
516.32904	0.7
551.26501	0.7
612.29462	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62672	1.0
53.03934	1.4
54.88440	1.0
55.05508	1.2
60.48552	0.9
64.61768	1.1
67.05499	1.6
72.45160	1.0
76.13853	1.0
79.05486	9.1
81.07036	1.5
82.57129	1.0
89.74312	1.0
91.05090	1.0
91.05489	15.9
93.07026	1.8
95.04942	5.6
103.05419	1.1
105.03391	31.1
105.04482	1.2
105.07034	7.1
107.04961	87.0
107.08650	1.1
110.12289	1.2
117.06997	2.5
119.04873	1.7
119.08575	1.9
121.10136	1.6
129.07013	2.4
131.04956	2.1
131.08540	4.5
133.10086	1.4
134.09660	100.0
143.08525	4.2
145.06473	2.5
147.07994	1.5
149.06012	14.4
151.43039	1.0
155.08524	9.7
157.10077	1.5
159.08109	1.5
165.06992	12.8
166.07747	5.8
167.08559	24.3
169.10110	8.5
171.11652	1.1
178.07787	1.9
179.08553	33.9
180.09334	20.7
181.10120	26.3
183.11662	2.5
183.97223	1.0
191.08505	1.4
192.09338	9.2
193.10132	16.6
194.11713	43.2
195.08086	2.4
195.11722	14.4
196.08873	1.1
197.13245	2.0
204.09338	7.2
206.11095	1.3
207.11731	13.0
208.08763	1.5
208.12459	2.0
209.13249	73.4
210.11282	24.0
211.11179	4.6
211.14859	2.1
219.11652	12.0
221.13284	5.2
222.10359	11.1
237.12735	24.3
239.14255	6.6
253.87653	1.4
295.17221	1.1
297.14874	4.4
364.67422	1.1
430.23752	16.2
464.24918	1.8
490.25931	24.0
612.29419	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56472	0.5
55.02284	0.6
72.04531	0.8
79.05508	8.0
81.07036	0.9
85.31434	0.7
91.05450	2.8
95.04913	4.1
95.08582	1.0
100.77395	0.7
105.03388	25.4
105.04440	1.2
105.06995	1.8
107.04954	100.0
108.05267	1.6
117.06992	0.8
119.08624	0.9
121.09886	0.7
129.06917	0.8
131.04904	0.9
131.08543	1.3
134.09650	36.1
149.05957	15.0
155.08517	3.0
157.10081	1.0
165.07036	8.5
166.07666	4.0
167.08568	17.8
168.09264	1.3
169.10033	2.9
179.07071	0.8
179.08533	17.1
180.09312	11.9
181.10146	14.6
192.09241	1.1
193.10037	4.4
194.11923	61.4
195.07968	0.8
195.11816	7.1
204.09175	1.6
207.08022	0.9
207.11710	5.1
208.08737	1.0
208.12402	4.0
209.13252	45.2
211.11099	1.6
219.11630	3.6
221.09520	1.0
222.10370	8.0
237.10780	0.8
237.12740	15.2
239.14188	4.2
255.13757	1.2
297.14789	1.4
299.15994	0.9
361.17966	0.9
421.20139	0.9
462.26077	2.4
490.25839	7.9
612.29034	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
55.51653	3.2
55.72834	2.8
59.69620	3.0
67.05482	2.9
69.07050	4.1
79.05486	17.3
81.07046	4.3
83.04974	7.9
91.05477	21.0
95.04942	7.5
95.08607	14.2
95.71761	4.0
97.02878	13.0
97.06518	5.7
105.07025	18.4
107.04951	100.0
107.08598	7.4
109.10208	3.7
111.04435	14.9
117.07024	5.8
119.08574	28.0
121.10122	8.6
123.08039	6.3
131.08539	6.4
133.10138	21.8
135.04466	4.3
135.08080	3.9
135.11687	5.0
137.09575	6.7
143.08530	8.5
145.10081	8.5
147.07977	3.7
149.05983	18.2
149.09633	6.8
153.05435	6.8
155.08618	3.4
157.10129	17.7
159.11702	5.8
161.09554	14.1
162.26018	3.4
169.10083	7.3
171.11673	21.5
175.11311	5.4
176.72906	4.3
183.11617	13.9
187.11188	7.5
189.12730	5.3
194.11760	74.3
195.11659	8.5
197.13235	5.5
199.11220	6.9
205.12192	14.0
209.13158	6.9
210.11276	6.3
213.12732	6.8
215.14508	4.6
231.13811	7.4
235.44095	3.9
239.59892	3.6
249.16412	4.5
267.17334	4.7
273.14819	4.9
277.61942	3.6
286.02078	3.7
295.16870	25.3
299.20190	4.6
304.54254	3.6
313.18002	29.5
354.94003	3.7
355.18970	29.2
373.19989	31.1
415.21008	14.6
433.22379	5.0
612.35553	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	3.4
68.01183	3.3
79.05485	3.8
91.05468	4.1
102.71240	3.1
105.06992	11.8
107.04951	100.0
109.10130	6.1
119.01102	2.7
119.08614	6.0
121.06504	4.8
131.08551	4.4
132.46370	3.4
133.06548	3.8
133.10057	3.0
135.08078	4.0
145.10016	3.0
147.08031	3.5
149.05956	21.8
159.08080	3.0
177.09160	3.6
180.10162	15.9
181.10115	4.1
183.11751	4.1
193.10106	4.4
194.11765	99.0
195.11674	12.7
197.09477	3.5
199.11154	3.4
209.09546	5.3
210.11032	3.1
211.11185	18.2
223.11145	10.4
225.12741	12.2
227.10596	4.5
241.12099	6.6
243.10051	2.9
249.12862	3.7
251.14275	3.1
253.12198	4.0
259.13589	3.1
265.15912	5.6
281.15302	2.9
293.15411	5.1
295.55844	2.7
311.16455	6.1
373.16425	76.2
431.20584	3.4
448.31558	3.2
460.27646	3.5
491.22794	15.8
544.38251	3.4
612.32446	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
55.51653	3.2
55.72834	2.8
59.69620	3.0
67.05482	2.9
69.07050	4.1
79.05486	17.3
81.07046	4.3
83.04974	7.9
91.05477	21.0
95.04942	7.5
95.08607	14.2
95.71761	4.0
97.02878	13.0
97.06518	5.7
105.07025	18.4
107.04951	100.0
107.08598	7.4
109.10208	3.7
111.04435	14.9
117.07024	5.8
119.08574	28.0
121.10122	8.6
123.08039	6.3
131.08539	6.4
133.10138	21.8
135.04466	4.3
135.08080	3.9
135.11687	5.0
137.09575	6.7
143.08530	8.5
145.10081	8.5
147.07977	3.7
149.05983	18.2
149.09633	6.8
153.05435	6.8
155.08618	3.4
157.10129	17.7
159.11702	5.8
161.09554	14.1
162.26018	3.4
169.10083	7.3
171.11673	21.5
175.11311	5.4
176.72906	4.3
183.11617	13.9
187.11188	7.5
189.12730	5.3
194.11760	74.3
195.11659	8.5
197.13235	5.5
199.11220	6.9
205.12192	14.0
209.13158	6.9
210.11276	6.3
213.12732	6.8
215.14508	4.6
231.13811	7.4
235.44095	3.9
239.59892	3.6
249.16412	4.5
267.17334	4.7
273.14819	4.9
277.61942	3.6
286.02078	3.7
295.16870	25.3
299.20190	4.6
304.54254	3.6
313.18002	29.5
354.94003	3.7
355.18970	29.2
373.19989	31.1
415.21008	14.6
433.22379	5.0
612.35553	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38094	1.5
53.36267	1.7
57.80787	1.7
68.33328	1.8
69.07044	2.0
79.05481	11.5
81.07050	3.7
83.08578	2.3
91.05464	4.8
93.07016	2.8
95.04969	2.5
95.08566	2.8
105.07030	12.9
107.04960	100.0
107.08581	8.8
109.06527	3.4
109.10142	3.8
115.05379	2.8
119.08562	10.4
121.06503	2.6
121.10117	7.9
121.28916	1.9
123.08076	9.0
131.08548	3.2
133.10129	13.0
134.09679	23.6
135.08131	2.8
135.11630	2.2
137.09616	2.4
138.93315	2.6
143.08580	3.7
145.10123	3.9
147.08020	7.8
147.11658	2.9
149.05991	21.7
149.09599	8.1
157.10144	4.4
159.08063	2.9
159.11699	8.5
161.09589	3.7
169.10138	4.9
171.11713	3.6
173.09630	4.8
175.11169	3.0
181.10130	3.6
183.11713	4.5
185.09502	2.4
185.13205	3.4
187.11168	8.2
193.10153	2.2
194.11769	87.4
197.13268	3.6
199.11205	2.0
205.55562	2.2
211.11156	4.4
249.16319	2.3
267.17422	3.0
295.17044	13.0
313.17960	20.7
352.70407	2.2
355.19009	13.8
373.20078	4.5
415.21063	3.6
430.24393	2.2
445.58197	2.2
552.32983	22.6
612.35309	38.8
627.82660	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	612.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	3.4
68.01183	3.3
79.05485	3.8
91.05468	4.1
102.71240	3.1
105.06992	11.8
107.04951	100.0
109.10130	6.1
119.01102	2.7
119.08614	6.0
121.06504	4.8
131.08551	4.4
132.46370	3.4
133.06548	3.8
133.10057	3.0
135.08078	4.0
145.10016	3.0
147.08031	3.5
149.05956	21.8
159.08080	3.0
177.09160	3.6
180.10162	15.9
181.10115	4.1
183.11751	4.1
193.10106	4.4
194.11765	99.0
195.11674	12.7
197.09477	3.5
199.11154	3.4
209.09546	5.3
210.11032	3.1
211.11185	18.2
223.11145	10.4
225.12741	12.2
227.10596	4.5
241.12099	6.6
243.10051	2.9
249.12862	3.7
251.14275	3.1
253.12198	4.0
259.13589	3.1
265.15912	5.6
281.15302	2.9
293.15411	5.1
295.55844	2.7
311.16455	6.1
373.16425	76.2
431.20584	3.4
448.31558	3.2
460.27646	3.5
491.22794	15.8
544.38251	3.4
612.32446	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01413	7.0
51.78942	5.5
59.94357	8.7
69.07067	13.5
91.05455	13.1
92.17867	13.6
93.07020	16.9
95.04929	7.1
97.06503	7.0
105.07001	13.4
107.08590	12.8
108.29573	7.4
109.06501	12.7
109.10146	10.8
119.08569	9.3
121.06444	10.9
121.10194	8.2
123.08070	13.2
129.06990	8.1
131.08571	18.1
133.06476	8.6
133.10104	11.5
133.95854	7.1
137.09656	13.2
143.08607	26.4
145.06516	12.2
145.10162	11.6
147.08066	18.1
149.09595	9.9
155.08563	33.3
157.10121	35.8
159.08003	16.5
159.11671	10.5
161.09630	16.0
167.08542	10.9
169.10114	70.7
171.11647	15.1
173.09596	16.8
179.08629	17.0
180.09286	10.0
181.10150	28.7
183.11656	17.8
185.09572	18.0
187.11238	12.2
192.09334	17.6
193.10043	13.7
194.10791	12.6
195.11665	31.1
197.09624	71.0
197.13321	11.7
201.12726	11.8
207.11737	35.3
209.09665	11.9
209.13258	29.7
211.11096	15.4
213.12717	12.8
215.10669	8.7
219.11655	13.3
220.12497	8.8
221.13240	13.6
223.11183	13.8
223.14725	15.5
225.12746	32.1
232.12457	7.7
234.14034	16.9
235.11226	9.5
235.14867	9.2
237.12697	13.8
239.14302	12.7
239.18007	7.7
244.12610	9.3
247.11124	9.3
249.16437	41.2
251.14229	9.0
253.12289	16.9
253.15865	11.6
262.13480	13.1
265.15872	29.8
267.17380	58.3
277.15778	54.4
283.16934	13.3
295.16891	100.0
313.17944	45.0
343.19037	10.0
355.19086	28.7
373.20166	11.8
415.21179	58.0
475.23163	39.5
517.24561	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	612.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23023	5.7
57.74011	5.7
61.91565	5.3
67.05494	7.7
69.07066	7.6
69.26686	4.7
79.05495	11.4
79.87157	6.1
81.07048	12.7
91.05444	22.7
93.07020	23.7
95.04939	10.0
95.08578	30.0
96.23912	6.5
105.07021	37.7
107.08598	40.3
109.06624	5.4
109.10121	8.4
119.08569	38.5
121.06494	24.0
121.10143	10.9
123.08031	6.6
129.07002	9.7
131.05112	5.8
131.08549	14.3
133.06462	12.7
133.10109	61.0
135.08057	28.9
137.09570	9.7
143.08549	25.9
145.10161	45.3
147.08083	13.5
149.09595	9.0
155.08556	24.2
157.06442	7.9
157.10132	30.9
159.08073	13.3
159.11690	27.3
161.09616	45.8
163.11197	7.9
169.10139	51.9
171.11670	24.6
173.09592	34.5
173.13239	10.0
175.11183	8.1
178.07726	8.3
179.08478	24.0
181.10117	26.5
183.11668	41.6
185.09615	9.9
185.13216	24.8
187.11130	10.2
191.08482	7.7
192.09344	9.2
193.10110	27.1
195.11687	37.5
196.08812	5.9
197.09622	39.1
197.13202	40.6
198.10373	7.2
199.11113	12.8
203.10611	5.5
203.14272	6.4
206.10867	10.3
207.11734	40.4
208.12521	9.4
209.09671	7.9
209.13278	36.3
211.11206	28.2
211.14854	9.0
213.12729	23.3
215.14227	9.6
219.11668	11.6
221.13347	20.5
223.11182	8.5
223.14769	40.6
225.12715	28.8
225.16354	10.6
233.13336	5.9
234.13986	9.8
235.14777	11.5
237.12776	6.4
237.16360	10.2
239.14330	8.4
241.15794	22.6
243.13989	5.8
247.14822	7.3
249.16408	37.8
251.14212	6.4
262.13730	10.9
265.15909	32.6
265.19586	8.2
267.17422	34.6
277.15921	52.2
283.16907	45.8
283.20129	14.1
295.16943	100.0
313.17953	86.9
325.18100	27.4
337.17694	6.3
343.18893	23.9
355.19025	47.3
373.20102	23.0
385.20013	7.5
433.22342	11.3
437.52151	7.6
475.23193	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	612.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84664	3.3
53.17478	4.0
57.68623	3.9
61.83403	3.7
64.76346	4.0
67.05459	3.9
71.04984	5.5
78.09073	3.9
79.05504	4.6
81.07062	8.2
83.04965	17.3
91.05466	8.1
93.07034	19.9
95.04967	5.5
95.08625	10.1
101.06065	4.4
105.07024	17.0
107.08607	27.9
107.60580	4.7
109.06519	6.7
109.10167	5.5
111.08059	18.6
119.08564	50.1
121.10132	21.1
123.08043	19.9
125.09614	17.5
131.08568	9.2
133.10173	31.4
135.08055	19.4
135.11636	6.1
135.23155	4.6
137.09619	6.2
143.08563	24.3
145.10098	29.5
147.08015	4.9
147.11713	5.0
149.09592	9.8
157.10136	23.9
159.08034	6.1
159.11703	9.5
161.09627	25.1
163.11148	8.0
165.09027	4.6
169.10135	26.6
171.11649	18.2
173.09554	8.2
175.11237	6.3
181.10147	6.9
183.11641	18.7
185.13234	27.6
187.14798	4.7
193.10141	5.0
195.11707	23.3
197.13194	18.7
199.11192	15.3
207.11720	5.1
209.13312	18.0
211.11275	7.3
211.14767	37.4
213.12688	6.6
221.13254	31.2
225.16431	5.8
227.14240	10.5
229.15904	9.4
237.12750	8.4
237.16364	7.3
239.14288	55.0
255.17418	33.3
257.15402	22.1
269.18985	44.4
274.53558	4.4
279.17493	30.8
297.18469	100.0
299.16422	7.0
315.19501	68.2
357.20602	54.9
359.19345	5.4
375.21646	26.5
417.22690	20.6
492.65408	4.3
546.00525	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	612.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
60.98314	1.1
62.37976	0.9
65.96780	1.0
68.37157	1.2
75.20752	1.0
79.05486	5.3
80.35073	1.0
91.05490	2.1
93.07061	1.3
105.07016	4.8
107.04948	93.9
107.08580	2.1
108.05342	1.2
109.10143	1.7
113.38935	1.3
119.08558	2.4
121.10152	3.9
131.08612	1.4
133.10121	1.9
134.09650	43.6
143.08611	1.6
145.10095	2.3
149.05988	20.0
155.08521	1.7
159.11789	1.5
161.09647	1.2
169.10078	1.5
183.11652	1.1
187.27216	1.0
188.76347	1.0
194.11758	100.0
195.12048	1.0
197.13271	2.1
261.72537	1.2
281.19046	1.2
407.87891	1.2
434.26794	5.1
492.31177	16.9
552.33185	14.1
571.24011	5.2
612.35266	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	612.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56143	0.7
54.91552	0.7
79.05489	6.5
92.18464	1.1
95.08591	0.9
105.06992	1.2
107.04952	100.0
107.08587	1.1
119.08578	1.1
121.10083	1.2
134.09660	9.6
149.04854	1.0
149.05986	20.2
194.11757	88.3
195.11530	0.9
199.11160	2.1
209.13370	1.1
227.10692	1.5
260.26501	1.1
313.14258	1.5
434.26773	7.7
521.79187	0.9
552.33215	4.6
612.35248	60.7
612.45288	2.0
627.09039	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	612.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.3
79.05494	7.4
91.05457	1.4
92.18475	3.1
93.07021	1.7
95.08593	4.8
105.07011	5.4
107.04948	100.0
107.08570	2.7
119.08573	6.0
121.10123	3.1
123.08105	2.4
131.08556	3.0
133.10089	3.1
134.09653	20.3
143.08559	3.0
145.10072	2.4
149.05969	16.4
157.10115	2.6
159.11664	3.2
183.11742	2.9
194.11758	98.4
210.11179	1.7
236.47719	1.2
299.20142	2.0
552.33167	20.7
612.35278	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00190	0.8
55.05514	1.3
58.61067	0.8
60.72030	1.0
65.79636	0.8
67.05521	1.2
69.07071	1.0
77.43296	0.9
79.05501	2.1
80.13021	1.0
81.07065	1.2
84.37162	1.0
91.05477	71.7
92.17905	2.7
93.07039	2.3
95.08604	1.6
103.05453	1.2
104.98644	0.9
105.07018	5.7
107.04905	0.9
107.08559	1.8
109.06604	0.9
109.10146	2.4
119.04935	14.3
119.08586	7.6
121.10131	3.8
123.08105	1.0
123.11703	1.3
131.08549	4.5
133.10136	5.3
134.09666	14.8
135.11664	4.5
143.08542	2.1
145.10120	2.4
147.08044	5.0
147.11714	2.3
155.08559	3.7
157.10103	7.4
159.11635	3.7
161.13193	1.4
165.05597	1.1
167.08514	1.0
169.10109	6.2
171.11694	3.7
183.11697	5.1
185.13290	2.3
195.11746	1.5
197.13249	5.2
199.11227	1.3
209.13235	1.7
210.11240	100.0
211.14883	1.6
223.14821	1.2
225.16408	1.7
253.19495	5.8
258.43839	0.9
265.19519	4.4
276.32083	0.9
283.20401	6.9
343.22504	1.2
389.09079	1.1
450.68854	1.4
472.28821	0.9
508.42453	1.1
612.35321	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	1.0
58.98349	0.6
64.02061	0.7
65.03969	0.7
69.07069	0.8
75.34725	0.8
81.07069	1.1
91.05476	70.3
93.07013	1.9
98.28726	0.8
103.05453	1.9
105.07014	1.6
107.04906	1.1
107.08570	3.5
109.10118	1.0
119.04932	13.3
119.08582	5.8
121.10139	4.6
123.11704	1.1
125.06754	0.7
129.06982	1.0
131.08545	0.8
133.10147	4.1
134.09651	13.5
135.11670	3.2
143.08530	2.9
145.10114	3.3
147.11705	1.2
157.10135	4.1
159.11719	1.4
167.08522	1.1
169.10164	1.2
171.11682	3.2
179.51437	0.8
181.10109	1.9
183.11722	1.3
185.09657	0.9
185.13293	1.4
195.11671	1.6
197.13193	1.1
208.12497	1.1
209.13237	4.2
210.11238	100.0
223.14822	1.9
239.17969	0.9
250.17039	0.9
265.19446	8.0
283.20499	5.5
325.21365	1.3
576.86041	0.9
612.35217	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	612.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88752	0.5
59.57831	0.5
61.36635	0.5
66.27077	0.6
68.77988	0.6
72.05230	0.5
75.31231	0.5
79.05483	6.4
86.06892	0.5
86.95067	0.6
91.05476	6.6
93.07036	0.8
95.04957	0.5
95.08570	0.6
103.27153	0.6
105.07028	2.9
107.04956	92.5
107.08582	1.0
119.08556	2.3
120.08075	3.6
121.10128	2.4
133.10114	2.8
134.09653	6.3
135.08058	1.3
145.10147	0.8
149.04842	1.1
149.05975	18.1
149.07173	0.6
165.09093	0.7
180.10222	8.5
183.11688	0.6
194.11761	100.0
210.11276	8.7
221.40822	0.6
270.66861	0.6
506.73441	0.7
552.33197	0.9
612.35309	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	612.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01341	0.8
79.05495	1.1
81.07064	1.7
84.80984	0.8
91.05481	65.8
92.10262	0.8
93.07050	1.8
102.60126	0.9
105.07027	2.1
107.04950	1.7
107.08591	4.0
109.10181	1.3
119.04911	10.9
119.08592	6.1
121.10122	4.4
123.11723	1.0
129.06990	1.0
130.35225	1.0
131.08586	3.5
133.10133	4.9
134.09677	11.9
135.11696	1.8
143.08560	1.7
145.10144	3.2
147.08049	1.2
147.11710	1.3
155.08539	1.0
157.10098	1.9
159.11649	1.5
168.67345	0.8
169.10199	1.1
171.11734	1.3
173.13239	1.1
181.10115	1.7
183.11659	1.2
185.13280	1.6
195.11780	1.3
197.13182	1.4
208.12463	1.2
209.13248	3.5
210.11247	100.0
210.65672	0.9
210.67693	1.0
223.14851	4.7
231.11110	0.8
265.19489	5.3
283.20505	3.4
325.21542	1.2
529.11487	1.0
612.35315	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	612.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70893	0.9
79.05490	7.3
79.33428	0.9
81.07102	1.2
91.05487	1.4
93.07046	1.1
95.44590	0.9
105.07016	2.0
105.46380	1.3
107.04952	100.0
107.08562	1.6
117.07073	1.1
119.08602	4.6
121.10181	1.0
131.08611	1.3
134.09663	6.5
138.74725	1.2
143.08545	1.3
145.10106	1.6
149.05962	18.8
157.10138	2.1
159.11703	1.3
171.11725	1.2
183.11693	4.0
187.11224	1.3
194.11769	92.4
250.82951	1.0
329.08636	1.0
391.69531	1.2
402.25864	1.1
477.37808	1.3
536.18951	1.1
612.35327	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	612.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92802	0.9
53.54393	0.7
55.05512	1.1
55.47466	0.7
65.71612	0.9
67.05512	1.3
79.05484	10.1
81.07068	2.2
91.05482	14.2
93.07050	6.5
95.08603	9.8
98.85151	0.9
105.07027	10.2
107.04951	96.3
107.08607	6.0
109.10176	2.0
112.64371	1.1
117.07020	1.7
119.04963	3.7
119.08572	17.2
121.10172	5.0
123.08067	8.7
123.11703	1.5
131.08580	2.4
133.10107	7.7
134.09647	9.7
135.08142	1.3
135.11731	2.1
137.09647	1.2
143.08583	4.2
145.10114	8.4
147.11703	2.0
149.05966	20.1
149.09641	1.3
151.11191	1.3
155.08646	1.4
157.10120	6.8
159.11743	2.0
163.11145	1.3
169.10182	4.5
171.11661	2.2
175.11263	3.7
183.11765	4.0
185.09634	1.2
185.13284	2.1
187.90392	1.0
194.11763	100.0
195.11740	3.6
197.13367	2.2
199.11253	1.5
199.14790	1.3
207.11613	1.4
209.13376	4.6
210.11269	12.1
211.14743	1.4
211.85924	0.9
213.12849	1.0
221.13284	1.4
223.14737	1.4
225.12784	1.2
229.64943	0.9
232.97858	0.9
236.12753	1.1
239.14380	1.6
251.18034	2.2
252.56293	0.9
253.19647	1.5
269.19083	2.3
281.19177	4.8
299.20261	4.7
333.61050	1.0
429.93307	1.0
475.57739	1.0
552.23077	1.5
612.35437	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	6.1
91.05465	3.8
93.06982	1.1
105.02441	0.8
105.07066	1.5
107.04957	87.3
108.35883	0.9
109.10135	1.0
110.96812	0.9
119.08611	1.8
121.10162	1.0
126.97156	1.0
131.08549	1.1
133.10147	3.6
134.09642	14.6
143.08595	1.0
145.10118	1.2
149.05968	19.0
149.09457	0.9
157.10097	1.7
169.10152	1.2
171.11780	1.0
183.11757	1.4
194.11766	100.0
210.11186	2.2
230.67215	1.0
270.88480	1.1
281.19089	1.5
342.39563	1.1
492.30975	1.1
497.29974	1.1
552.33252	18.8
612.35364	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69568	0.6
79.05495	6.7
81.07055	1.0
91.05473	1.6
92.18559	1.2
93.07030	1.6
95.08598	0.8
105.07024	1.5
107.04953	100.0
119.08585	1.3
131.05016	0.8
131.08536	0.8
134.09660	18.0
145.10042	1.1
149.05975	17.8
157.09952	0.8
166.07745	0.9
167.08549	1.0
179.08498	0.7
180.10197	0.8
181.10139	1.5
192.10204	7.5
194.11766	72.5
195.11673	1.1
223.14857	2.7
349.03220	0.8
416.25848	13.1
476.27921	4.8
552.33331	0.9
612.35309	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32394	0.3
55.01853	0.4
55.05512	0.8
57.07074	0.5
67.05503	1.7
69.07058	1.6
79.05486	1.5
81.07062	2.0
83.08633	0.7
91.05479	73.0
93.07034	2.2
95.04979	0.4
95.08594	2.0
97.10174	1.7
103.05486	2.0
104.94405	0.3
105.03394	1.7
105.07046	5.2
106.03691	0.3
107.04975	0.4
107.08583	4.1
109.10156	3.4
115.05536	0.3
117.06977	0.6
119.04935	15.4
119.08572	9.9
121.06519	0.6
121.10135	5.9
123.11671	2.8
123.95522	0.3
129.06981	2.0
131.08563	5.2
133.10115	5.8
134.09657	17.2
135.08044	1.4
135.11678	4.1
137.13254	1.4
141.06967	0.5
143.08527	4.0
145.10107	5.4
147.08040	6.9
147.11662	5.1
149.09674	0.6
149.13260	0.4
155.08530	3.8
156.09360	0.7
157.10117	5.6
159.11671	3.0
161.09622	1.1
161.13264	0.7
163.11282	0.4
165.05531	0.6
165.06969	0.3
167.08557	0.8
168.09392	0.5
169.10107	5.5
170.10951	0.4
171.11676	4.2
173.09563	0.5
173.13300	1.2
175.11130	0.5
179.08585	0.7
180.09363	0.4
181.10141	1.5
182.10796	0.4
183.11691	6.0
185.09634	2.2
185.13220	1.8
187.11165	1.7
194.10797	0.7
195.11664	2.2
197.13287	6.4
199.11241	0.4
199.14876	1.0
207.11722	0.5
208.12482	1.2
209.13292	4.0
210.11243	100.0
211.14766	2.4
213.12729	0.7
213.16304	0.3
221.13278	0.6
222.13954	0.4
223.14874	1.8
224.15627	0.5
225.16342	2.7
227.14362	1.3
235.14992	0.4
236.15648	0.3
237.16356	0.6
250.17178	1.2
253.19490	5.2
255.21123	0.7
265.19467	3.3
266.06116	0.3
267.12289	1.8
271.47079	0.3
283.20541	6.4
301.21658	1.2
307.15540	0.3
343.22723	1.9
594.33911	0.4
612.35327	55.6
622.83618	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	612.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03930	0.5
55.05507	1.2
67.05496	1.2
69.07049	0.7
79.05486	0.8
81.07039	1.2
83.08600	0.9
83.80224	0.6
91.05475	73.0
93.07030	2.7
95.08616	2.3
103.05462	1.1
103.13029	0.7
105.07007	6.8
107.04935	1.2
107.08551	4.6
109.10149	3.3
112.23893	0.7
114.00315	0.6
116.34019	0.7
117.07037	0.6
119.04943	14.8
119.08550	9.0
121.06470	0.9
121.10142	4.1
123.07961	0.7
123.11707	1.3
129.06970	1.2
131.08569	4.1
133.10104	6.6
134.09637	16.9
135.11690	4.2
143.08563	2.6
145.10132	3.4
147.08061	7.2
147.11642	5.0
155.08490	4.4
157.10109	6.7
159.11687	4.0
161.13168	0.8
167.08632	0.8
168.09442	0.7
169.10092	4.6
171.11688	3.8
173.09605	0.7
181.10072	1.3
182.10835	0.8
183.11703	6.6
185.09695	1.0
185.13223	1.3
187.11177	0.6
195.11679	2.6
197.13274	7.4
199.11133	0.8
199.14827	0.8
209.13315	3.1
210.11235	100.0
211.14804	3.2
223.14825	1.5
225.16405	3.1
227.14244	0.8
237.16275	0.7
242.05351	0.7
250.17026	0.6
253.19476	4.7
255.21100	1.1
265.19556	3.7
267.12289	1.0
271.20438	0.7
283.20554	6.6
295.67252	0.7
301.21628	1.3
341.65491	0.8
343.22678	1.0
400.97733	0.7
449.53772	0.7
456.42606	0.6
456.55524	0.7
473.88977	0.6
543.02625	0.6
590.67151	0.7
612.35284	63.4
624.23907	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	612.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22353	0.6
52.58080	0.8
55.74456	0.7
56.55566	0.7
60.78508	0.7
61.60366	0.8
67.05466	0.7
69.07045	0.8
81.07042	1.1
82.25556	0.8
83.08608	1.1
87.49686	0.9
91.05472	66.9
93.07024	1.6
95.08560	1.1
103.05457	1.1
105.07022	3.4
107.08587	3.4
119.04931	10.3
119.08543	6.1
121.10108	4.2
123.11695	0.9
131.08542	3.4
133.10112	4.4
134.09653	12.6
134.41061	0.8
135.11664	3.1
143.08560	1.7
145.10143	3.4
147.08052	1.4
147.11687	1.8
157.10104	4.2
159.11639	1.7
169.10132	1.7
171.11650	1.3
173.13251	1.3
181.10120	1.7
183.11800	1.5
185.13141	1.4
187.11238	0.9
194.11024	0.8
195.11668	1.9
197.13303	1.6
206.28391	1.0
209.13211	4.0
210.11232	100.0
223.14799	3.1
224.15654	1.0
235.14772	1.3
265.19489	8.6
283.20618	2.1
315.15863	1.2
325.21515	0.8
343.22824	0.9
405.60788	1.0
612.28009	1.7
612.35284	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	613.134
Annotation	Pentagrametin
Peak:m/z	Relative Intensity
50.43892	0.6
52.57135	0.6
60.26799	0.6
61.52345	0.5
64.38347	0.7
91.05495	0.7
91.34718	0.6
92.02563	0.7
95.04996	1.1
95.55209	0.6
105.03414	1.3
125.05975	1.4
135.04416	100.0
153.48309	0.6
156.14981	0.7
167.07310	0.7
199.03906	2.9
242.02025	1.3
257.04422	10.7
297.07681	0.9
303.10385	0.8
305.40598	0.8
318.08749	0.7
346.08298	1.0
358.08328	14.0
359.09113	0.8
361.10666	3.6
374.07819	10.6
387.08707	0.9
389.10141	6.5
390.07391	12.9
417.09674	82.1
435.10846	5.7
492.44525	0.7
613.13416	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1341
Annotation	Pentagrametin
Peak:m/z	Relative Intensity
53.66405	0.6
66.14198	0.6
74.37952	0.7
91.05480	1.6
91.63236	0.7
112.82031	0.8
130.40283	0.7
151.26091	0.7
153.01810	3.0
167.03352	6.0
210.11346	0.7
211.11452	1.3
215.58104	0.7
403.07993	1.6
432.08264	3.1
445.09406	2.9
483.11063	4.5
485.12924	0.8
497.12302	0.8
513.11487	1.1
541.11572	3.4
552.10107	1.4
555.09009	1.2
567.09344	8.2
568.09656	1.4
569.10669	3.5
570.10919	1.2
581.11267	2.7
582.05487	0.7
583.08594	0.8
597.10510	12.0
598.11102	40.9
613.13391	100.0
613.35138	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	613.14
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
53.63721	0.3
54.17307	0.3
55.01871	0.6
57.03417	1.3
58.28234	0.3
60.40668	0.3
61.02907	1.8
63.07808	0.3
66.39758	0.3
69.03429	3.8
71.01325	0.4
73.02914	7.0
81.03429	0.4
81.07874	0.3
85.02908	6.9
93.24979	0.3
97.02884	4.2
98.09818	0.3
109.02906	0.5
111.80883	0.3
115.03909	2.0
127.03890	1.5
133.04967	1.3
137.12036	0.3
139.94124	0.3
145.04962	1.4
151.37502	0.3
153.01791	1.6
165.01817	0.7
179.03273	0.4
225.78188	0.3
245.04382	0.6
273.03815	1.4
294.30325	0.3
319.04449	100.0
451.08838	0.4
481.09528	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	613.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20409	0.4
74.25568	0.4
75.39262	0.5
91.05480	3.8
92.05791	0.7
92.09850	0.5
94.57269	0.5
119.31400	0.5
134.09625	0.9
139.02907	0.8
139.03902	12.8
153.04269	0.7
153.05469	18.5
163.03874	2.1
165.06999	0.6
167.08525	0.8
169.10033	0.6
171.11765	0.6
195.08064	0.6
199.07494	2.3
209.09526	0.8
209.13266	3.6
210.11246	6.0
211.11533	3.0
222.10364	0.8
223.11226	0.7
237.12717	41.2
247.11197	0.5
250.09973	1.1
251.10815	0.5
265.12222	100.0
292.27045	0.5
293.11728	18.6
294.12531	2.6
301.06741	0.5
379.62900	0.5
429.16571	0.8
445.16437	46.7
457.16196	3.9
595.19678	9.9
613.20679	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20822	0.6
57.68882	0.6
61.27282	0.6
67.39597	0.6
69.07033	0.6
69.09773	0.6
79.05469	1.0
79.55331	0.6
95.04942	1.2
95.08549	0.8
105.03399	15.4
105.07024	3.5
107.04946	13.3
108.05259	3.5
119.08598	1.1
121.06490	1.2
123.08076	1.0
133.06482	0.9
133.10155	1.2
134.09627	1.6
135.08101	0.8
139.03903	13.9
143.08577	1.2
145.10138	1.3
149.05972	3.4
153.05457	20.0
159.08049	1.0
159.91451	0.7
161.09569	0.9
163.03888	1.3
163.11047	0.8
169.10210	0.7
171.08014	0.9
179.08516	1.4
179.10645	1.2
181.10175	0.8
185.09645	1.0
194.11823	9.8
195.08055	1.0
195.11987	5.8
199.07677	2.3
199.11325	0.8
209.13243	4.0
222.10422	1.3
223.11273	1.6
224.93060	0.7
225.12622	0.8
237.12717	41.5
247.14882	1.1
250.09987	1.5
265.12204	100.0
275.14243	1.4
293.11740	15.9
293.15302	4.6
294.12396	3.0
311.16376	4.3
366.27731	0.7
371.18280	1.5
389.19547	1.1
401.36035	0.8
429.16925	0.9
431.20804	1.1
445.16422	40.9
449.21567	1.1
457.16510	4.3
499.25070	0.9
553.33228	2.4
595.19617	15.1
613.20569	33.0
613.35419	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	613.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63390	1.5
53.03939	3.8
54.83411	1.5
55.00319	1.5
56.06945	1.6
60.83217	1.6
69.03412	2.6
75.02098	2.1
82.39571	1.8
83.71538	1.8
86.74472	1.7
86.86886	1.6
91.05454	7.1
93.07019	3.7
95.04932	11.3
98.03377	1.8
105.03389	100.0
105.07032	17.0
107.08570	3.6
115.05534	1.6
117.07011	2.3
119.08538	10.9
121.06512	7.0
123.04449	1.9
123.08044	2.1
123.45853	1.7
131.08537	7.9
131.45378	2.2
133.06479	14.6
133.10127	3.4
135.07988	2.7
142.07726	2.0
143.08543	8.8
145.06506	3.4
145.10139	3.5
147.08061	3.2
149.05971	2.0
149.09543	2.1
155.08527	9.1
157.10129	3.2
159.08046	2.5
161.09602	14.0
165.06940	2.5
169.10091	13.0
171.08031	2.9
171.11688	3.8
173.09566	4.1
181.10085	10.7
183.08139	2.4
183.11707	7.7
185.09581	4.4
187.11215	1.9
192.09323	3.5
193.10126	4.3
195.11647	14.7
196.08713	3.1
197.09576	7.2
197.13232	9.9
198.10320	2.8
199.11160	17.3
207.11621	10.6
208.93929	2.4
209.09561	3.8
209.13216	3.2
210.10493	3.2
211.11179	18.5
211.14676	2.0
212.08165	2.0
213.12701	3.4
217.10120	3.1
218.10945	2.1
221.13193	2.4
223.11116	13.9
223.14751	3.2
225.12698	12.5
227.10728	16.4
232.12526	2.8
233.13292	2.2
235.11183	7.2
237.09042	2.9
237.16382	8.0
238.78723	1.8
239.14224	2.1
241.12112	3.8
247.14726	12.8
251.10669	4.5
251.14281	3.8
253.12155	17.8
260.11914	3.7
263.14349	3.1
265.15784	17.2
271.13242	3.0
275.14200	7.4
283.17010	7.4
293.15286	29.3
311.16385	22.4
313.14346	13.1
353.17371	14.3
371.18573	9.5
373.16318	8.2
413.19623	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	613.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50824	1.1
59.55524	1.3
69.03440	1.4
70.23804	1.3
77.03932	2.6
91.05482	2.6
93.07037	3.6
95.04955	9.8
105.03399	100.0
105.04468	3.2
105.07009	11.0
107.08603	1.8
109.06528	2.4
119.08603	2.1
121.06507	6.2
121.26859	1.6
123.08045	1.7
125.48341	1.9
131.08557	3.6
133.06470	8.2
133.10147	2.2
135.08055	3.0
142.07848	1.8
143.08537	3.2
145.06477	1.9
147.08049	3.0
149.05977	3.1
149.09605	1.8
151.07529	2.8
153.07133	1.5
155.08569	8.4
157.10121	2.1
159.08110	5.3
161.09647	5.6
167.08617	2.6
169.10127	11.0
171.07970	1.6
173.09610	2.9
179.08510	2.6
180.09377	1.8
181.10132	9.4
183.08038	1.6
183.11714	2.7
192.09265	3.0
193.10156	6.1
195.11720	14.2
197.09601	9.5
197.13271	8.3
199.11209	16.2
205.10054	2.1
207.11670	9.0
208.12480	2.1
209.09602	7.8
209.13278	3.3
210.10423	1.8
211.11156	16.8
223.11156	11.3
223.14809	2.0
225.12703	11.9
227.10715	10.8
232.12526	6.0
233.13486	2.0
235.11209	5.9
237.12706	1.5
237.16374	3.5
247.14871	3.7
251.10587	2.8
251.14497	2.2
253.12283	13.7
260.12158	2.6
265.15854	9.7
275.14206	3.7
283.17035	3.3
293.15314	21.0
311.16327	21.8
313.14261	13.0
353.17456	6.3
371.18555	7.2
415.19284	2.9
493.21478	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	613.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93394	1.3
51.31978	1.3
53.03951	2.7
55.47619	1.3
69.03442	1.9
72.79273	1.3
73.86746	1.4
79.05477	7.2
89.63032	1.3
91.05483	6.8
93.07027	7.3
95.04955	10.3
95.08640	1.9
97.06494	1.5
97.17747	1.5
105.03394	100.0
105.04485	3.2
105.07027	25.8
107.04952	29.4
107.08593	3.7
108.05274	8.1
109.10049	1.5
115.05463	2.0
117.07033	3.7
119.08563	12.0
121.06499	9.5
121.10125	20.3
123.08053	8.7
127.50183	1.6
129.07004	2.6
131.08554	6.8
131.84787	1.5
133.06480	15.6
133.10136	17.2
135.08058	6.6
143.08565	3.8
145.06471	19.5
145.10107	20.3
147.08133	5.5
149.05945	16.8
149.09595	3.0
150.06279	1.5
151.11166	1.9
155.08565	3.4
157.10138	2.5
159.08026	2.2
161.05905	2.0
161.09590	12.6
163.07527	6.4
163.11212	3.4
165.05540	4.7
165.06851	2.2
167.08580	1.7
169.10112	8.1
171.07915	2.5
171.11679	2.9
173.05975	7.6
173.09583	3.3
179.08537	2.7
179.10838	1.8
181.10075	8.1
183.11697	6.5
185.09630	2.0
191.07028	3.7
192.09296	2.7
193.10191	3.6
194.11868	18.6
195.07983	2.0
195.11871	20.6
197.09630	3.5
197.13258	3.5
199.11119	2.5
201.81227	1.7
207.11716	10.2
208.08890	2.0
208.12506	7.3
209.09615	6.0
209.13200	8.9
211.11279	1.9
213.12883	1.7
217.10240	2.1
218.10889	1.6
219.11685	3.7
220.08897	2.4
221.09677	2.2
221.13177	2.1
222.10391	3.2
222.14014	2.5
223.11205	6.1
223.14836	7.5
225.12886	5.7
227.10805	2.2
232.12457	6.8
233.13214	2.7
235.11273	7.0
237.09276	2.5
237.12738	7.8
237.16432	3.0
239.14276	6.2
247.14812	9.3
250.09898	3.5
250.13586	10.2
251.10707	7.5
251.14325	9.6
260.11932	10.2
263.14304	1.7
265.12289	3.3
265.15875	16.3
267.13922	2.8
271.72250	1.7
275.14227	16.1
278.13055	2.6
283.16840	2.5
293.12070	3.7
293.15332	89.6
310.01099	1.6
311.16403	16.5
353.17447	7.1
371.18561	8.0
413.19565	7.9
414.15851	1.7
415.19025	2.3
431.20523	3.4
450.89835	1.5
473.21820	13.0
491.22592	28.5
594.36737	1.6
613.27716	2.0
613.35681	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
54.25315	1.7
54.39508	1.6
55.05515	1.9
67.05490	2.4
69.66988	1.7
70.46931	1.7
79.05515	3.3
81.03419	2.9
81.07078	2.4
83.04957	3.3
91.05465	10.4
92.05778	2.5
92.18528	3.5
93.07037	10.3
95.04969	17.0
95.08586	3.3
105.03398	100.0
105.04494	3.5
105.07032	20.0
107.04936	7.6
107.08594	3.5
109.06505	10.7
109.10155	8.0
117.06969	2.9
119.08588	9.0
121.06493	14.7
121.10142	3.2
123.08029	4.3
129.06961	3.0
131.08589	4.6
133.06487	39.9
133.10130	9.6
134.09662	2.3
135.04407	7.3
135.08041	7.7
137.09621	4.6
142.07710	2.0
143.08563	4.4
145.06508	2.9
145.10098	16.5
147.08020	2.6
149.05991	8.7
149.09590	4.8
151.03880	2.6
151.07555	2.0
151.11223	2.3
155.08571	2.9
157.10129	2.9
159.08008	3.3
159.11737	4.2
161.06015	2.9
161.09676	7.7
163.11153	8.8
169.10130	2.2
171.11708	2.5
173.09630	4.3
177.09128	3.0
179.07054	2.4
179.08592	3.8
179.10677	2.5
181.10077	4.5
183.11668	4.5
185.09654	4.6
187.11166	8.0
192.16005	2.2
193.10236	3.3
195.11725	11.0
197.09599	4.5
197.13289	2.2
199.11205	1.9
206.10837	2.3
207.11766	7.7
209.09665	7.1
209.85237	2.1
210.11119	3.4
211.11354	8.3
212.11839	2.5
213.12624	2.2
215.10747	3.2
217.10194	2.5
223.11215	4.7
223.14955	2.0
225.12791	8.1
235.11246	3.9
237.16299	2.8
241.12234	2.4
247.14987	2.6
253.12138	4.2
265.15900	2.5
275.14294	2.7
283.16934	3.3
293.15311	15.8
311.16354	21.4
317.17441	2.1
329.17627	3.5
371.18411	8.7
374.17493	1.9
389.19583	2.4
613.13129	22.7
613.25897	4.6
613.35114	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	613.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25293	2.0
53.03940	2.5
53.30430	2.1
59.91352	2.0
67.05499	3.2
70.94743	2.0
79.05516	2.7
81.07047	2.2
81.69978	2.0
87.98515	2.0
91.05472	3.0
95.04955	9.1
105.03398	100.0
105.04483	4.0
105.07030	11.8
107.08598	3.5
111.59679	2.0
119.08527	3.8
131.08557	2.9
133.06494	9.6
133.10129	3.1
140.07823	2.3
143.08539	3.0
145.06502	3.8
151.07608	3.1
155.08600	8.1
159.08093	4.0
161.09567	10.5
169.10181	9.7
173.09692	2.1
179.08533	2.7
181.10117	12.5
182.07245	2.2
183.11705	4.3
184.79132	2.0
190.26350	2.4
192.09476	2.5
193.10114	4.2
195.11708	11.5
196.08833	2.6
197.09686	8.4
197.13358	2.9
199.11214	14.3
206.10994	2.5
207.11758	7.8
209.09634	8.7
209.13251	3.9
211.11147	19.8
213.50389	2.2
221.13281	3.1
223.11232	8.6
223.14583	2.7
225.12772	11.2
227.10657	13.6
235.11162	3.5
237.16385	3.0
247.14919	3.2
251.10503	2.5
251.14360	3.1
253.12262	12.7
260.11911	2.8
265.15866	14.4
271.13235	2.7
275.14258	4.2
293.15274	17.9
298.41464	2.1
311.16510	18.5
313.14365	13.1
371.18521	7.6
415.18896	3.1
613.35101	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	613.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50911	0.9
51.47626	0.9
54.21022	1.0
81.07056	2.7
84.98434	1.2
91.05483	1.6
93.07031	5.8
94.71035	1.3
95.08618	6.1
105.07029	11.6
107.08573	1.3
109.10160	5.9
119.08600	10.0
121.10125	1.9
131.08566	2.2
133.10135	19.1
142.07742	1.2
143.08568	5.2
145.10103	4.9
147.08022	1.6
155.08545	2.0
157.10115	7.1
158.80768	1.2
159.08020	1.4
161.09602	5.9
167.08598	1.6
169.10114	6.8
171.11641	4.5
179.08525	1.8
181.10155	2.7
183.11687	5.7
185.09668	1.8
187.11192	1.9
192.09300	1.9
193.10138	6.6
195.11821	4.9
197.09633	2.4
197.13275	2.1
203.10623	2.7
206.10904	2.6
207.11696	10.0
208.12476	1.9
211.14906	1.5
221.13274	7.7
228.35483	1.2
233.13266	1.8
235.14961	1.7
239.10933	1.3
239.14438	1.2
263.17981	7.5
281.19113	2.5
283.35168	1.3
405.20279	2.3
465.22449	11.9
506.74991	1.4
571.12714	1.4
613.27722	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	613.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47884	4.5
55.01875	3.9
55.05520	6.1
57.03435	5.3
57.63718	4.1
59.11685	4.2
62.69203	4.1
69.03451	14.3
69.07041	4.4
77.03933	5.7
77.95687	5.2
79.05455	4.1
81.03423	9.5
81.07058	8.4
83.04997	5.9
83.08643	7.0
84.05390	4.6
85.02914	42.2
91.05515	6.1
93.07040	10.7
95.04969	8.7
95.08572	7.0
97.02878	9.1
97.06536	7.6
105.07013	21.9
107.08588	10.3
109.06563	6.3
109.10165	4.4
119.08615	17.9
121.06472	10.5
121.10146	18.5
123.08053	10.3
127.03967	6.9
131.08533	6.6
133.06480	9.2
133.10164	5.3
135.08060	20.0
135.11588	5.8
137.05928	4.8
137.09650	7.4
143.08548	38.9
145.06424	5.0
145.10117	10.5
147.08035	7.1
149.09593	9.0
155.08568	9.7
157.10139	17.9
159.08122	16.9
159.11754	6.6
161.09625	6.7
167.08530	6.2
169.10109	35.9
171.11703	8.9
173.09497	4.5
173.13234	5.8
173.79085	5.1
175.11115	5.6
179.08586	4.8
181.10071	18.3
183.11729	19.7
185.13350	6.0
187.11180	9.2
195.11661	10.9
197.09631	19.6
197.13298	10.1
199.11110	8.3
207.11705	17.5
211.11221	9.7
213.12706	5.0
215.10658	7.9
219.11427	4.4
267.17490	7.1
285.18457	9.9
295.16928	28.8
313.18045	52.2
331.19019	69.4
354.74255	4.5
391.21027	23.7
611.56555	5.1
613.20111	7.9
613.28656	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	613.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72822	2.2
66.17199	2.1
67.05482	2.2
69.03423	14.0
69.07064	4.2
73.76473	2.2
79.05498	3.0
81.03406	10.9
81.07060	4.0
85.02907	26.7
91.05477	11.0
93.07046	12.9
95.04973	3.0
97.02905	9.5
97.06514	4.1
105.07041	24.3
107.08591	14.3
109.02904	4.0
109.06509	4.4
109.10195	2.7
111.08067	3.5
119.08588	8.6
121.06512	9.3
121.10149	9.8
123.08046	9.7
123.11674	2.7
125.09603	6.0
128.06151	3.3
129.07040	3.3
131.08611	8.8
133.06508	9.1
133.10120	10.6
135.08044	4.1
135.11682	3.1
137.09630	4.5
142.07736	2.6
143.08522	22.5
145.06538	4.3
145.10162	10.1
147.08084	4.9
147.11671	4.0
149.06004	3.5
149.09621	5.3
153.09131	3.1
155.08559	5.9
157.10196	5.4
159.08058	10.4
159.11604	4.8
161.09604	14.7
163.11186	5.6
169.10118	26.5
170.77669	2.2
171.08020	5.3
171.11687	11.8
173.09671	11.1
173.13272	4.7
175.11121	3.9
181.10059	5.2
183.11713	10.2
185.09615	5.1
185.13298	3.4
187.11150	5.7
191.10680	2.4
192.09229	2.7
193.10114	3.8
195.11777	5.8
197.09602	12.0
197.13315	11.3
207.11554	8.1
209.13272	4.3
211.11316	2.6
211.14755	4.7
213.12749	3.1
215.10651	11.5
215.14256	4.7
222.48134	2.4
227.14302	3.4
239.18007	3.1
253.12282	3.8
267.17517	14.4
285.18686	3.9
295.16968	17.4
313.18015	43.7
331.19025	67.4
391.21094	24.5
428.99390	2.3
613.28534	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	613.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66615	1.0
65.04440	1.1
67.05474	2.0
69.07074	1.6
70.92539	0.9
79.05476	4.2
80.17268	1.0
80.91049	1.1
81.07079	1.8
91.05470	4.4
105.07021	1.3
107.08582	1.4
147.11627	1.4
183.55182	1.0
205.92036	1.4
247.13071	1.9
299.53687	1.2
300.67859	1.0
333.20364	5.4
389.22852	2.3
490.05182	1.2
613.37079	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	613.4676
Annotation	Donnaienin
Peak:m/z	Relative Intensity
54.48126	3.4
55.05510	25.3
57.03428	3.9
67.05500	59.4
69.07069	52.8
79.05486	22.7
81.07053	81.8
83.04982	5.1
83.08615	44.2
85.06516	4.6
91.05479	10.0
93.07034	32.3
95.08608	100.0
97.06522	9.8
97.10158	32.7
98.97630	4.9
105.07059	8.8
107.08594	33.9
109.10175	41.2
111.08042	9.6
111.11685	4.6
112.99117	4.4
119.08576	24.1
121.10145	49.9
123.11678	25.0
125.09714	4.4
131.00179	5.7
133.10110	23.5
135.11713	47.7
137.13225	5.4
140.31778	4.1
145.10172	4.6
147.11679	16.6
149.01234	9.3
149.13274	17.9
151.11192	5.9
151.14865	4.6
153.12717	6.0
158.99661	16.3
161.13269	6.5
167.50824	4.3
177.00719	6.6
215.18073	7.3
217.19525	7.4
233.18959	5.3
235.20578	15.6
251.20052	8.9
253.21559	4.3
281.43204	4.8
293.05475	5.8
309.24323	6.9
317.17877	24.1
325.23749	26.6
327.25247	80.6
336.61227	4.3
336.79984	4.6
553.26703	31.0
577.44354	20.3
595.45502	61.8
613.46771	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05507	3.5
57.03445	3.5
67.05511	19.5
69.07061	11.2
72.80878	1.5
79.05531	12.8
79.05915	1.6
81.07049	34.0
83.08620	3.4
91.05464	8.7
93.07032	17.1
95.08607	25.7
97.06519	1.7
97.10173	3.3
105.07024	8.1
107.08578	10.8
109.10159	14.6
119.08580	14.5
121.10127	13.6
123.11718	1.9
131.08591	8.0
133.10115	7.8
135.11699	8.7
143.08630	2.9
145.10138	8.8
147.11707	6.7
149.13269	3.4
157.10161	2.3
159.11716	9.6
161.13255	7.2
163.14857	2.2
171.11652	2.2
173.13274	3.6
175.14726	2.8
181.05194	1.7
185.13284	3.2
187.14810	2.5
227.17989	1.9
259.20618	3.5
261.22205	3.6
320.18347	1.9
333.24158	1.6
335.25955	2.4
337.27737	2.6
381.65143	2.3
522.39520	1.8
595.47443	3.8
613.48267	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	614.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08524	1.3
80.22557	1.6
81.34216	1.7
86.71944	1.5
91.05489	5.7
94.23358	1.6
95.04990	2.5
105.07059	5.5
107.04854	1.8
109.06518	36.7
111.08121	5.6
113.05968	1.6
119.04919	6.0
123.04397	7.7
129.06973	7.6
130.27272	1.4
131.08562	1.8
135.04366	1.8
137.05965	7.3
143.08560	2.3
145.06378	2.3
147.04382	1.7
147.07962	1.7
151.07587	1.4
155.08539	2.1
157.06451	15.5
159.08075	3.4
161.05956	9.7
163.03905	6.0
163.07516	1.7
167.08527	2.3
169.06540	3.1
169.10086	2.4
171.08011	3.6
173.05905	1.8
179.08484	2.1
181.10080	6.4
183.04349	1.5
183.08131	2.2
183.11761	1.9
185.05962	25.5
185.09555	3.1
187.07578	6.0
192.09348	2.7
193.10158	7.3
195.08054	2.6
195.11662	2.5
197.09576	6.3
199.07523	6.1
199.11214	7.0
203.07024	2.6
207.11667	8.5
209.09602	5.8
211.11194	3.0
219.11662	2.8
221.09634	3.0
221.13322	5.7
223.11130	16.2
225.12666	2.1
227.06924	2.1
227.10678	3.3
231.11777	1.7
233.09724	2.4
235.11214	9.9
237.12790	3.4
239.10617	2.5
245.11635	2.0
249.12743	10.8
250.46364	1.6
251.10680	7.5
253.08490	1.9
253.12238	9.2
255.10236	2.1
265.12314	6.5
267.09979	1.7
267.13773	3.3
269.11743	5.8
271.09644	1.9
271.13257	1.7
280.34045	2.0
293.11737	6.3
295.13211	14.6
311.12634	10.6
313.14352	13.1
321.11322	2.1
329.13858	2.4
339.12207	8.3
343.68427	1.6
355.15497	1.9
357.13312	8.8
363.92038	1.7
375.14319	6.6
384.25211	1.7
399.14352	14.1
417.15546	11.6
459.16464	100.0
519.18585	15.4
537.19757	2.3
561.19568	12.1
579.20856	10.7
614.24170	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33435	1.7
68.13461	1.8
79.05498	7.1
81.07006	2.1
105.07021	4.7
107.04269	3.8
107.04955	100.0
129.06950	2.7
134.09686	3.9
143.08585	3.5
145.10080	1.9
149.06001	15.2
155.08549	9.1
163.92934	1.9
168.84203	1.8
169.10101	28.2
180.09428	3.1
181.10081	1.9
182.10930	2.0
194.11751	93.5
195.11662	4.2
196.12387	2.6
209.13203	2.2
211.14801	34.5
221.13284	7.6
239.14352	8.3
245.31209	2.0
299.16449	10.8
367.28412	2.0
422.34702	2.1
614.31097	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79298	3.6
79.05560	3.7
79.53315	3.2
81.07046	4.4
83.04971	6.3
84.77701	4.1
91.05522	4.4
93.07016	6.3
95.04957	19.1
95.08617	6.7
97.06525	18.7
105.07035	6.1
107.08614	9.3
109.06506	22.1
119.08581	15.7
121.06526	29.2
121.10162	8.4
123.08071	8.4
125.09643	5.2
133.06525	7.0
135.08070	22.0
137.05988	5.5
137.09593	24.4
137.89815	3.8
145.06520	4.7
145.10138	7.5
147.08060	18.9
149.09619	17.2
151.07523	8.0
153.09024	5.5
157.10158	6.3
159.08080	7.7
161.09612	21.0
163.03755	3.8
163.07530	7.2
165.09122	17.1
169.10117	5.3
171.11630	6.2
173.09613	19.3
175.11224	4.7
176.22874	4.1
177.09096	6.0
179.10645	4.7
181.08659	6.0
183.11708	7.0
185.09642	4.5
185.13225	8.3
187.11165	25.7
189.09055	5.3
189.12686	6.1
195.11772	5.7
197.13286	5.3
199.11159	8.5
201.12747	5.7
203.10594	4.1
203.14233	3.8
209.13167	5.8
211.11140	6.1
211.14812	19.4
213.12772	54.9
215.14372	6.4
221.13420	4.2
223.11153	7.7
227.14293	6.3
229.12234	20.4
229.15918	8.7
231.13811	17.1
239.14178	17.0
241.12224	15.6
245.15375	5.3
247.13303	8.2
253.15804	18.7
255.13768	5.4
257.15265	29.7
259.13272	14.3
263.14215	4.9
271.16913	40.6
281.15369	19.4
289.17911	5.8
299.16412	77.1
301.14218	5.9
317.17426	100.0
331.19009	5.1
341.17572	28.5
359.18466	79.8
361.16367	17.1
377.19586	94.1
419.20642	73.3
479.23026	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	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33371	0.7
66.37984	0.7
66.54607	0.7
79.05505	7.6
79.25124	0.7
80.83605	0.9
84.16933	0.7
85.74178	0.7
93.06992	0.9
105.07012	3.0
107.04951	97.1
120.08092	8.8
149.05984	19.7
163.11232	0.8
172.35985	0.8
180.10185	100.0
239.58086	0.7
295.50980	0.7
554.30865	5.9
614.33350	8.3
628.35645	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	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41116	0.6
79.05493	8.4
79.57834	0.7
81.07056	0.7
91.05453	1.0
94.69042	0.8
105.07027	2.9
107.04956	100.0
107.08553	1.0
117.04208	0.8
120.08096	9.3
129.05496	0.7
131.04921	1.1
131.08597	1.3
133.10176	1.1
135.08067	1.4
143.73314	0.7
145.10165	0.9
149.05968	24.6
149.09604	1.4
157.10147	1.1
166.17726	0.7
180.10188	92.3
197.09583	1.1
255.03065	1.0
336.62735	0.8
418.23767	1.6
469.84689	0.8
511.50476	0.8
528.15710	0.7
554.31158	1.3
614.16693	2.2
614.33350	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	614.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
75.21270	0.7
79.05486	9.3
80.31662	0.7
80.64785	0.6
82.00115	0.6
91.05460	4.1
92.17860	0.9
93.07049	1.2
95.04967	0.9
95.08574	0.7
103.05427	0.6
105.07021	2.8
107.04951	100.0
107.08585	3.3
109.10150	0.9
119.08537	1.3
120.08087	8.9
121.10126	2.7
133.10120	1.2
135.08009	2.7
147.08028	0.8
149.05966	23.2
149.09593	0.9
157.10136	0.9
175.53490	0.6
180.10176	97.5
190.23053	0.6
210.11205	2.9
239.14232	1.0
303.62521	0.7
315.19705	0.9
494.28809	0.7
496.27032	3.4
534.75958	0.8
536.29803	0.9
554.30939	0.8
614.33862	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	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32103	0.4
60.11168	0.5
62.70422	0.5
64.97269	0.4
66.33301	0.5
68.44218	0.4
69.68521	0.5
76.69024	0.5
76.87297	0.5
79.05495	5.8
88.10371	0.4
89.95388	0.4
91.05461	1.0
92.17889	1.5
93.07055	0.7
95.56996	0.5
95.68077	0.5
105.07035	3.0
106.79706	0.6
107.04951	98.8
107.08615	2.0
109.06497	0.6
119.08572	0.5
120.08105	8.1
120.34682	0.5
121.10194	0.6
133.06529	0.7
133.10173	0.6
135.08066	1.8
144.92674	0.5
147.07985	0.5
149.05968	22.2
159.08008	0.7
162.09135	0.8
180.10179	100.0
196.89867	0.6
197.09497	0.6
206.41295	0.5
221.13297	0.7
298.26492	0.5
302.66577	0.5
314.18173	0.8
315.19519	0.5
482.21445	0.6
554.30969	6.1
614.33826	4.5
614.71045	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	614.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24269	1.2
57.87293	1.2
64.22126	1.1
73.76926	1.5
79.05476	7.2
79.84678	1.5
91.05470	1.8
93.07037	2.8
99.81400	1.3
105.07040	5.7
107.04956	100.0
108.05280	2.8
120.08087	16.1
120.55859	1.3
131.08548	2.4
143.08585	2.2
145.10027	1.4
147.08031	1.6
149.05988	22.9
155.08507	3.2
167.08615	1.7
169.10126	7.0
171.11757	1.9
173.02374	1.4
178.08788	1.5
179.08542	6.0
180.10199	53.1
180.82034	1.4
183.11613	2.4
183.36369	1.4
185.13271	1.9
191.08531	3.2
192.09352	2.0
193.10129	3.2
194.11752	10.1
195.11916	7.7
197.13210	1.7
206.10896	15.9
208.65508	1.5
211.14828	8.9
213.12764	1.5
221.13219	31.9
239.14320	6.9
248.94833	1.4
251.18275	1.5
264.34845	1.6
279.17365	2.1
281.15527	2.3
297.18619	2.5
322.72641	1.5
460.24850	10.2
478.26007	2.5
520.26849	31.0
538.28040	23.4
596.31903	5.5
614.33276	23.2
626.67920	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	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07087	2.1
69.74280	1.4
79.05486	7.5
81.07056	3.8
89.30232	1.4
91.05477	71.5
93.07018	6.8
95.04958	2.4
95.08599	14.6
105.03374	2.1
105.07037	14.2
107.04954	92.3
107.08594	11.2
109.06517	1.4
109.10148	5.8
114.49332	1.5
117.07014	2.4
119.04961	12.5
119.08576	18.4
121.06490	6.5
121.10120	12.2
123.08045	3.7
123.11710	3.5
129.06993	1.8
131.08566	3.7
132.84134	1.6
133.10126	8.6
134.09650	19.4
135.08060	7.0
135.11705	6.9
140.67245	1.6
143.08536	6.7
145.10124	10.2
147.08075	11.4
147.11638	3.8
149.05984	20.2
149.09592	3.2
155.08498	2.8
157.10170	10.9
159.08047	2.0
159.11652	6.6
161.09653	1.9
161.13354	1.5
163.11288	1.6
169.10123	10.3
171.11636	7.7
173.09660	1.9
173.13303	2.4
175.11221	2.9
179.02402	1.7
182.10953	1.7
183.11690	10.1
185.13130	2.0
189.12912	2.6
194.11766	100.0
195.11731	2.6
197.13266	9.3
207.11472	1.8
209.13264	3.4
210.11238	64.4
211.14702	2.2
213.12756	1.6
213.16382	1.8
225.12700	2.6
237.16315	2.0
239.18073	2.1
253.19476	2.7
267.17444	6.0
283.20499	1.8
354.70493	1.5
424.48892	1.9
614.34924	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07087	2.1
69.74280	1.4
79.05486	7.5
81.07056	3.8
89.30232	1.4
91.05477	71.5
93.07018	6.8
95.04958	2.4
95.08599	14.6
105.03374	2.1
105.07037	14.2
107.04954	92.3
107.08594	11.2
109.06517	1.4
109.10148	5.8
114.49332	1.5
117.07014	2.4
119.04961	12.5
119.08576	18.4
121.06490	6.5
121.10120	12.2
123.08045	3.7
123.11710	3.5
129.06993	1.8
131.08566	3.7
132.84134	1.6
133.10126	8.6
134.09650	19.4
135.08060	7.0
135.11705	6.9
140.67245	1.6
143.08536	6.7
145.10124	10.2
147.08075	11.4
147.11638	3.8
149.05984	20.2
149.09592	3.2
155.08498	2.8
157.10170	10.9
159.08047	2.0
159.11652	6.6
161.09653	1.9
161.13354	1.5
163.11288	1.6
169.10123	10.3
171.11636	7.7
173.09660	1.9
173.13303	2.4
175.11221	2.9
179.02402	1.7
182.10953	1.7
183.11690	10.1
185.13130	2.0
189.12912	2.6
194.11766	100.0
195.11731	2.6
197.13266	9.3
207.11472	1.8
209.13264	3.4
210.11238	64.4
211.14702	2.2
213.12756	1.6
213.16382	1.8
225.12700	2.6
237.16315	2.0
239.18073	2.1
253.19476	2.7
267.17444	6.0
283.20499	1.8
354.70493	1.5
424.48892	1.9
614.34924	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80592	1.4
60.29952	1.1
63.49162	1.3
65.69947	1.5
66.90640	1.4
68.85766	1.3
69.07068	1.4
79.05502	6.7
81.39839	1.4
91.05492	13.9
93.07061	7.0
95.04935	2.0
95.08623	6.8
105.07040	11.8
107.04958	87.4
107.08595	7.2
109.06546	1.4
109.10164	6.1
117.07041	2.2
119.08575	12.7
121.10175	6.8
122.81937	1.4
123.08088	1.7
123.11736	2.7
129.06981	2.1
131.08662	2.6
133.10164	9.7
134.09727	7.5
135.08105	1.9
135.11687	3.0
143.08583	3.2
145.10153	8.8
146.85323	1.6
147.08104	9.8
147.11685	3.6
149.05983	25.4
149.09615	2.6
155.08572	3.0
156.09439	1.9
156.87836	1.5
157.10164	6.6
169.10165	7.4
171.11685	2.9
173.13335	1.8
183.11746	3.0
185.13300	1.7
188.03755	1.5
194.11781	100.0
195.11816	1.9
196.12537	2.0
197.13358	5.9
199.14915	1.7
207.11826	1.5
209.13322	2.7
210.11290	10.3
223.14996	2.5
225.16455	3.1
253.19649	3.5
265.19611	2.3
268.47720	1.9
276.37463	1.5
283.20721	7.0
331.19363	2.5
343.22775	1.9
552.33911	1.7
597.21960	3.1
614.36957	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82592	0.5
55.05502	0.6
62.06060	0.7
62.37605	0.5
63.03908	0.5
64.40722	0.6
67.05484	0.8
69.03410	0.6
75.86723	0.5
79.05482	6.7
81.07047	2.7
87.89822	0.6
91.05470	3.0
93.07027	3.8
95.08590	2.9
105.07021	3.2
107.04952	69.3
107.08588	6.3
109.10136	4.7
117.06960	1.0
119.08555	8.2
121.10127	2.5
121.80378	0.6
131.08551	2.4
133.10127	3.7
134.09651	3.8
135.08044	0.9
135.11722	1.4
143.08556	3.3
145.10117	3.7
147.08061	1.3
147.11684	2.4
149.05969	17.0
149.09570	0.9
155.08556	1.3
157.10126	4.0
159.11655	3.2
163.11194	1.0
167.08626	0.8
169.10068	3.8
171.11661	4.0
173.13190	1.1
174.53180	0.7
175.11121	0.8
180.10284	0.7
181.10074	1.3
183.11714	2.5
185.13248	1.2
194.11755	100.0
194.75833	0.7
195.11768	1.3
197.13306	1.2
199.14804	2.4
204.21144	0.6
207.11671	0.8
209.13263	3.3
211.14734	0.8
223.14832	2.4
225.16188	0.9
235.14676	0.8
236.12729	1.0
250.17183	0.8
255.21092	0.6
265.19540	3.7
283.20450	3.1
343.22501	1.0
614.37061	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	614.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91785	0.7
55.05517	0.9
57.07471	0.6
57.43043	0.7
60.34779	0.6
63.57049	0.7
67.85587	0.7
71.91846	0.7
72.54942	0.7
73.01004	0.6
73.11595	0.7
74.67185	0.7
79.05080	0.7
79.05476	6.2
81.07067	3.5
82.89780	0.7
90.36224	0.7
91.05482	16.8
92.17944	1.5
93.07065	3.6
94.73026	0.7
95.08627	0.9
105.07059	4.9
107.04956	77.6
107.08620	3.9
109.10179	3.4
117.06985	0.7
119.04960	1.0
119.08605	5.4
121.10162	3.7
130.78065	0.7
131.08575	3.2
133.10121	7.3
134.09685	4.9
135.08078	1.8
135.11758	4.2
137.09621	1.1
138.52568	0.8
143.08577	3.0
145.10179	3.4
147.08061	0.9
147.11707	1.2
149.05977	16.0
149.09637	1.2
155.08630	1.6
157.10175	5.1
159.11687	3.1
161.09560	1.1
167.08566	0.9
169.10156	5.3
171.11742	4.4
173.60713	0.8
181.10191	3.6
183.11777	4.0
185.13310	1.2
194.11771	100.0
195.11868	3.4
196.09755	1.0
197.13228	5.9
209.13300	1.7
210.11244	15.7
211.14796	1.3
221.13214	1.0
223.14909	1.7
225.16463	1.1
227.14430	0.8
236.12901	1.1
253.19637	3.4
259.20480	0.8
265.19702	4.0
267.17554	1.3
283.20676	4.1
291.76752	0.8
298.69458	0.7
361.23956	5.0
575.51898	1.0
614.36963	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06881	1.5
56.62676	1.3
57.20382	1.4
57.58448	1.5
67.05501	3.2
67.69873	1.5
79.05477	6.6
81.07065	1.7
82.80297	1.8
91.05482	62.5
93.07048	7.0
95.04969	2.2
95.08612	12.6
99.67889	1.7
105.07045	12.3
105.78726	2.1
107.04955	91.3
107.05693	3.5
107.08590	8.8
109.10143	10.9
119.04922	9.5
119.08556	16.3
121.06461	2.9
121.10122	9.5
123.08080	4.1
123.11717	2.5
125.87400	1.6
131.08556	6.8
133.10133	8.5
134.09625	18.9
135.08035	8.2
135.11702	3.7
137.09583	3.2
139.60001	1.7
143.08531	2.7
144.49065	2.0
145.10147	11.2
147.08067	3.4
147.11687	8.3
149.05956	19.6
149.09575	2.3
151.52771	1.9
155.08533	3.7
157.10144	9.7
169.10069	5.8
171.11668	6.3
175.11272	2.5
183.11705	4.1
185.09628	1.7
185.13188	2.4
194.11763	100.0
195.11792	2.4
197.13179	3.5
199.14900	1.6
209.13193	2.3
210.11249	57.2
225.16344	2.5
253.19395	2.5
267.12338	2.0
267.17474	3.2
283.20551	6.9
285.18457	2.2
342.99930	1.8
343.22607	2.2
354.70065	1.7
392.65912	1.8
614.35742	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83338	0.6
61.54729	0.8
66.54778	0.7
79.05476	6.9
81.07083	1.0
86.32749	0.8
91.05469	3.5
93.07013	3.0
95.08605	1.8
105.07041	1.5
107.04955	62.2
107.08593	4.7
109.10159	3.7
119.08563	6.7
121.10139	3.4
123.11730	1.4
129.06995	1.0
131.08562	1.3
133.10104	4.7
134.09653	4.0
135.08049	1.1
135.11708	3.2
135.31364	0.8
142.07794	1.1
143.08595	1.6
145.10042	1.3
147.11667	1.8
149.05997	13.8
157.10135	3.4
159.11725	1.9
163.11212	1.3
169.10152	1.7
171.11681	3.3
175.11249	1.3
180.10286	0.9
183.11729	1.8
185.13217	1.1
194.11761	100.0
197.13423	0.9
209.13306	3.5
223.14711	2.8
235.14973	1.3
236.12737	1.8
265.19440	5.4
283.20605	3.4
425.41855	0.8
461.57062	0.8
567.78247	0.8
574.07190	0.8
614.37085	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68180	0.6
65.36617	0.5
69.64941	0.5
92.18499	1.1
95.04948	0.5
105.04505	0.8
109.06486	1.0
125.05971	1.1
135.04414	63.7
140.94737	0.5
142.53107	0.4
154.56508	0.5
166.32335	0.5
167.03403	3.6
179.38548	0.6
184.62912	0.5
187.07529	0.5
188.05783	0.5
200.09920	0.5
209.96352	0.6
264.27539	0.5
283.06000	3.5
311.09116	5.2
339.08609	15.2
357.09146	0.6
365.06491	0.7
381.09631	7.0
391.08240	0.8
406.06970	0.5
407.07333	2.3
417.06079	3.2
421.09238	1.0
423.10989	4.9
431.07794	4.2
435.10437	0.6
449.08646	100.0
463.10251	6.5
492.71976	0.6
569.14264	2.3
587.72205	0.6
597.14240	6.0
605.83612	0.5
615.14893	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	615.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25530	0.5
61.85929	0.5
88.40935	0.6
90.94803	1.1
92.18463	0.7
132.95844	1.4
144.95831	1.2
158.97409	5.7
168.95872	2.6
172.98987	6.6
176.98451	1.3
186.96896	7.8
191.00003	6.0
198.96838	1.5
200.98347	1.5
211.47087	0.7
215.00009	19.4
216.97862	11.9
218.99512	3.1
226.99966	10.7
233.01064	14.1
234.98973	100.0
241.01573	5.8
245.01021	4.8
253.00015	4.5
257.01056	4.4
258.00568	1.2
269.01068	1.5
275.02069	1.0
299.02203	4.7
316.99377	1.6
317.03149	67.4
335.04190	82.6
353.05350	1.1
376.07135	0.9
497.09256	0.7
615.15802	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	615.2227
Annotation	Isocalycopterone
Peak:m/z	Relative Intensity
84.07253	1.1
91.05440	1.2
107.04934	5.0
122.75491	1.0
131.08490	1.2
139.03909	17.6
140.04733	2.0
141.05501	1.1
153.05469	35.2
153.16164	1.4
162.03101	10.2
164.04703	8.8
165.05496	8.0
169.10135	1.6
177.05441	1.9
179.03468	1.3
181.10013	1.1
185.09436	1.7
187.07538	4.4
195.11836	1.8
196.12430	1.2
199.07527	13.1
201.09132	4.3
211.14804	22.5
213.09123	2.0
219.10184	6.9
221.13234	1.6
225.09102	6.4
231.10194	6.7
239.14299	69.4
249.12663	2.1
252.11475	1.2
253.08504	2.6
262.09863	1.5
267.13797	32.7
285.07578	2.0
295.13309	24.6
296.14032	14.9
301.07150	7.4
302.07980	9.7
335.88562	1.2
345.11014	1.5
363.12228	10.0
369.14905	2.6
373.10599	1.3
387.16156	2.2
389.10287	1.8
397.14392	1.6
405.13266	5.6
417.17084	1.2
419.18503	6.0
429.17249	4.1
447.18024	100.0
459.18137	14.6
463.17490	4.7
597.21240	25.5
615.22400	38.3
615.33752	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	615.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56022	1.0
90.40953	1.1
93.34726	1.3
139.03917	16.2
153.05457	26.7
162.03075	7.7
164.04654	5.9
165.05478	4.9
169.10069	1.8
177.08965	1.6
185.09573	1.5
187.07451	1.9
199.07518	13.0
201.09145	1.8
208.70474	1.3
211.11229	1.2
211.14807	17.4
217.08301	1.3
219.10199	5.1
221.13316	1.9
225.09123	5.6
231.10139	7.5
239.14288	49.8
253.08450	2.2
262.10092	1.5
267.13727	30.2
285.07614	1.6
295.13226	17.3
296.14136	12.2
301.07129	2.6
302.07819	2.9
345.11444	1.9
363.12265	5.9
377.13831	1.8
405.13446	6.4
419.18594	6.0
445.16489	2.4
447.18015	100.0
459.18185	10.8
463.18240	1.7
588.76959	1.7
597.20990	18.3
615.22296	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25405	2.2
54.19484	2.2
90.52813	2.6
94.88339	2.5
111.84802	2.3
145.82233	2.8
167.82057	2.6
228.90549	2.8
412.66995	3.0
510.20172	17.1
524.21344	5.2
539.24133	100.0
572.89783	2.8
615.25354	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	615.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
66.70201	0.9
76.91615	0.9
77.03903	1.3
77.96128	0.7
80.31628	0.8
82.25838	0.8
83.02911	0.8
91.05495	1.8
92.17865	1.7
93.07018	1.2
95.04951	9.6
105.03392	100.0
105.04528	4.0
105.07027	5.6
107.04942	1.6
107.08596	1.2
109.06519	1.6
111.41875	0.9
119.08595	1.1
121.06470	4.2
131.08556	1.1
133.06482	1.1
133.10130	3.5
135.04385	7.9
136.04741	3.6
143.08534	1.7
145.10126	11.9
147.08096	1.3
149.05983	10.9
155.08464	1.1
156.09319	1.1
157.10124	1.1
159.11639	1.5
161.09563	3.7
161.13220	1.5
167.08623	1.5
169.10085	5.1
171.11674	5.2
173.09604	1.2
179.08467	1.1
181.10118	3.9
183.11723	1.8
185.09630	1.6
195.11682	6.8
196.88518	1.0
197.09535	2.0
197.13252	2.3
199.11180	4.0
206.10933	0.9
207.11734	4.0
209.09601	6.0
209.13133	1.1
211.11110	1.6
217.10139	1.2
220.87878	0.9
222.13960	1.6
223.11234	1.4
223.14833	1.9
225.12782	2.2
227.10594	1.7
232.12375	1.1
235.11086	1.3
237.16298	1.6
239.86584	0.9
247.14867	2.0
251.14291	1.3
265.15881	7.0
267.13757	1.9
269.15234	1.3
275.14127	1.3
281.15454	1.8
283.16983	3.5
293.15417	4.8
311.16373	10.8
433.20190	5.4
449.19519	1.1
493.22238	5.0
571.23260	1.3
615.25781	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	615.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
66.70201	0.9
76.91615	0.9
77.03903	1.3
77.96128	0.7
80.31628	0.8
82.25838	0.8
83.02911	0.8
91.05495	1.8
92.17865	1.7
93.07018	1.2
95.04951	9.6
105.03392	100.0
105.04528	4.0
105.07027	5.6
107.04942	1.6
107.08596	1.2
109.06519	1.6
111.41875	0.9
119.08595	1.1
121.06470	4.2
131.08556	1.1
133.06482	1.1
133.10130	3.5
135.04385	7.9
136.04741	3.6
143.08534	1.7
145.10126	11.9
147.08096	1.3
149.05983	10.9
155.08464	1.1
156.09319	1.1
157.10124	1.1
159.11639	1.5
161.09563	3.7
161.13220	1.5
167.08623	1.5
169.10085	5.1
171.11674	5.2
173.09604	1.2
179.08467	1.1
181.10118	3.9
183.11723	1.8
185.09630	1.6
195.11682	6.8
196.88518	1.0
197.09535	2.0
197.13252	2.3
199.11180	4.0
206.10933	0.9
207.11734	4.0
209.09601	6.0
209.13133	1.1
211.11110	1.6
217.10139	1.2
220.87878	0.9
222.13960	1.6
223.11234	1.4
223.14833	1.9
225.12782	2.2
227.10594	1.7
232.12375	1.1
235.11086	1.3
237.16298	1.6
239.86584	0.9
247.14867	2.0
251.14291	1.3
265.15881	7.0
267.13757	1.9
269.15234	1.3
275.14127	1.3
281.15454	1.8
283.16983	3.5
293.15417	4.8
311.16373	10.8
433.20190	5.4
449.19519	1.1
493.22238	5.0
571.23260	1.3
615.25781	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	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
57.03444	2.5
59.70225	1.4
66.15153	1.8
67.05505	2.9
75.64452	1.8
79.05492	4.3
80.67182	1.8
81.03436	2.0
81.07064	2.0
91.05478	9.8
93.07038	4.8
95.04963	11.9
95.08569	3.2
105.02673	3.4
105.03394	100.0
105.07041	14.0
107.04973	2.3
107.08575	10.7
108.06721	2.0
111.08088	3.0
119.04971	2.5
119.08584	10.6
121.06493	7.1
121.10119	9.1
123.04452	2.0
126.55460	1.9
128.06252	2.6
129.06981	4.4
130.07800	2.4
131.08545	13.3
133.06502	2.7
133.10114	11.6
135.08005	2.9
137.09648	2.8
142.07732	3.3
143.08559	11.6
145.06447	2.1
145.10130	9.8
147.08046	3.2
147.11693	2.0
149.09671	2.8
155.08594	7.6
157.10172	12.1
159.08040	3.6
159.11707	8.1
161.09689	2.9
167.03368	8.0
168.09326	2.4
169.10120	11.9
171.11714	8.9
173.09657	4.3
173.13307	3.2
179.08525	7.4
180.09401	3.5
181.10124	11.4
183.08086	3.1
183.11693	7.4
185.09610	3.1
185.13248	7.0
187.11212	2.7
192.09352	7.3
193.10161	10.2
194.10995	3.3
195.11728	9.8
197.09625	3.8
197.13269	12.4
199.11127	2.8
207.11740	20.5
209.09732	8.0
209.13271	9.1
211.11235	7.9
211.14699	2.1
215.14389	2.3
219.11746	7.5
220.12520	3.4
221.13229	3.9
223.11121	7.5
223.14807	4.4
225.12709	3.4
233.13155	3.1
234.14005	7.5
235.14815	4.4
247.11288	3.4
249.16351	13.9
251.14268	10.0
255.13620	2.3
259.14828	4.4
262.13431	4.1
265.15854	2.4
267.17471	11.2
277.15805	15.9
295.16946	28.2
313.17975	21.2
355.19064	2.7
370.10748	2.1
377.00372	1.8
409.41550	2.1
434.10071	2.6
435.21927	2.9
449.12387	2.1
456.06607	2.0
495.24054	9.0
555.21869	2.8
615.14343	10.7
615.23248	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	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70726	5.0
53.66386	4.8
55.05509	7.5
67.05521	9.0
78.04080	5.8
79.05482	14.0
81.07044	9.9
91.05487	13.9
93.07027	12.2
95.04961	23.8
95.08591	13.8
105.03384	100.0
105.07022	32.9
107.08585	27.5
109.10133	8.5
119.08578	23.4
121.06487	23.1
121.10110	11.7
121.40542	5.6
123.08108	9.8
129.06984	9.0
131.08539	35.9
133.06511	8.4
133.10117	29.8
135.08009	7.7
137.09616	7.4
142.55016	5.5
143.08505	34.5
145.10081	25.3
147.08032	7.6
155.08574	25.3
156.52779	5.5
157.10130	32.0
159.08072	24.5
159.11763	6.8
161.09589	13.4
163.11212	10.3
167.08525	8.0
169.10149	24.3
171.11693	14.2
177.09120	6.1
179.08516	12.1
180.09448	5.7
180.58830	5.9
181.10094	29.9
183.11685	26.3
192.09369	12.7
193.10081	31.8
195.11691	24.2
197.09605	7.5
197.13292	28.8
199.11134	7.1
206.10947	11.2
207.11725	37.8
219.11671	11.1
220.12450	11.4
221.13161	8.2
223.11241	9.9
223.14766	11.8
225.12720	7.6
225.16394	9.6
234.14005	11.8
235.14804	7.1
236.12004	7.7
244.12379	13.0
249.16353	52.0
251.14410	9.8
259.14777	6.6
267.17435	30.2
277.15784	51.9
295.16919	79.3
313.17889	40.3
364.41516	6.1
373.19980	11.4
433.22275	83.9
615.27295	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	615.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
76.59220	8.3
76.64497	8.7
79.05486	15.1
81.03437	9.6
83.06093	40.9
93.07027	19.3
95.04947	16.8
95.08590	10.8
105.07015	13.2
107.08582	15.4
109.10168	19.0
114.36416	7.8
114.69820	9.7
119.08586	46.0
121.10160	15.0
131.08653	11.4
133.10129	100.0
135.08063	18.6
143.08571	19.6
145.10112	72.3
148.25684	10.4
161.09641	15.1
163.11232	14.8
171.11684	17.0
183.11673	13.4
195.11667	14.7
209.13333	21.1
211.14746	10.7
223.14851	16.8
241.81911	9.7
265.19562	98.9
283.20572	22.4
325.21445	13.5
326.52853	10.9
328.01636	9.9
335.89816	9.5
355.63367	9.5
385.23660	21.5
401.57993	9.5
615.30530	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07041	3.4
53.78551	3.0
55.01876	5.4
55.05506	7.0
57.03439	23.9
57.07087	4.1
59.07199	3.3
67.05511	59.5
69.07058	14.7
79.05502	47.9
81.03413	4.0
81.07063	50.7
83.08595	6.3
85.06527	7.3
90.82637	4.1
91.05503	30.8
91.05946	3.5
93.07053	59.2
94.18793	3.3
95.04964	57.4
95.08621	37.4
97.06528	5.6
105.07022	15.8
106.22452	3.4
107.04924	4.3
107.08576	27.7
109.06516	59.8
109.10187	7.3
111.93009	3.7
113.06005	44.8
117.07040	6.8
119.08598	19.2
121.10165	27.6
131.08554	19.6
133.10129	15.3
135.08037	63.8
135.11571	10.3
143.08534	7.0
145.10130	18.5
147.11647	7.1
149.09602	5.3
157.10197	6.0
159.11644	6.0
161.09619	14.8
171.11856	3.8
173.13293	5.1
175.11156	3.6
177.20958	4.3
195.11748	3.7
217.15852	6.9
245.18854	4.0
273.18558	22.6
281.34552	3.7
291.19498	63.0
307.22681	70.9
365.23199	16.0
366.88409	3.4
412.76300	4.5
579.40466	16.4
597.41370	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	616.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69624	4.5
62.06421	5.7
66.38950	4.9
69.07053	8.4
91.05465	9.3
93.07016	7.4
100.76849	5.7
109.06518	9.9
119.08595	30.7
142.57970	5.2
143.08531	13.8
145.10092	8.9
147.08040	12.1
157.10104	7.9
159.08113	10.6
161.09608	18.9
167.08521	5.9
169.10135	32.8
173.09645	7.2
174.07742	5.6
179.08493	23.6
180.09392	8.5
181.10103	11.9
183.11647	12.7
187.11275	13.2
191.08551	9.7
192.09299	5.4
193.10172	22.6
195.11617	38.5
197.09636	6.1
197.13277	11.8
206.10889	77.8
209.13252	9.5
211.14845	36.5
221.13188	91.6
223.11217	11.2
237.12680	20.5
237.16331	9.3
238.31114	6.3
239.14246	100.0
251.17801	8.3
257.15417	9.2
269.19043	8.6
279.17438	60.1
297.18436	82.0
299.16483	37.3
312.60141	5.5
315.19525	22.1
317.17569	39.1
339.19452	7.7
357.20627	43.8
359.18463	48.4
360.95126	5.8
399.21640	22.5
417.22617	96.1
459.23752	9.4
524.49249	6.4
575.55621	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	616.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64075	2.4
67.05492	4.1
69.07104	2.4
70.47099	2.3
78.11234	2.2
79.05492	2.9
79.65903	2.1
81.07074	10.4
83.04969	5.0
84.25560	2.4
91.05485	17.1
92.85486	2.5
93.07049	28.4
95.08595	27.3
104.87244	2.7
105.07024	12.0
107.04993	11.4
107.08601	4.3
109.10149	3.2
111.08057	2.8
119.08584	17.7
121.06463	2.5
123.08086	3.1
126.67067	2.3
131.08577	15.4
133.10139	4.1
140.89302	2.4
143.08578	25.7
145.06471	3.2
145.10089	4.9
147.08046	14.3
149.09651	2.5
155.08588	3.9
157.10132	17.2
159.11662	11.4
167.08589	6.3
169.10103	13.3
171.11699	10.8
179.08609	4.1
181.10143	33.3
182.10927	3.8
183.11703	9.7
187.11238	5.0
194.10861	3.3
195.11694	31.3
196.09810	3.0
197.13286	24.4
199.11229	2.9
199.14822	3.1
201.12740	3.5
208.12476	6.4
210.11246	11.9
211.14876	4.4
213.16426	3.8
223.14799	58.1
241.15849	100.0
253.19530	10.8
259.16904	23.9
273.18594	3.7
281.18900	20.4
299.19891	28.7
301.18008	46.8
317.21082	4.4
359.22318	12.1
585.61810	2.8
616.33307	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	616.349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98481	0.6
67.05500	1.2
67.41826	0.7
69.73273	0.6
79.05463	0.9
81.07059	2.2
91.05478	64.9
93.07029	3.3
95.04967	0.7
95.08613	7.0
103.05468	2.6
105.07050	5.2
105.07629	0.8
107.04955	5.8
107.08607	5.1
108.05282	1.2
109.10152	1.5
119.04939	11.8
119.08537	5.0
121.06551	1.0
121.10125	3.5
123.08068	5.5
123.11658	0.8
124.03905	0.6
125.01072	0.6
131.08556	2.3
133.10139	3.8
134.09650	15.7
135.08087	1.3
135.11639	1.4
143.08492	1.0
145.10176	2.5
147.08058	0.8
147.11812	0.9
149.05959	0.9
151.11240	0.9
155.08548	0.9
157.10164	2.7
159.11673	0.9
161.09583	0.8
163.11189	3.6
169.10187	0.8
171.11748	1.4
175.11244	0.8
181.10135	0.9
183.11681	1.1
185.13210	1.1
191.10368	0.8
194.11757	4.8
195.11896	4.3
196.12433	2.2
197.13293	0.7
209.13309	2.5
210.11246	100.0
223.14835	0.9
241.19507	0.8
251.17853	1.5
252.12325	1.2
269.19012	0.8
271.17001	4.4
297.18558	1.4
315.19568	1.2
409.80057	0.6
584.32611	1.2
616.34851	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15772	0.7
57.12503	0.8
60.75191	0.8
64.96357	0.8
81.07038	1.4
85.58623	0.8
87.31236	0.9
91.05480	74.6
93.07052	1.8
95.08607	5.4
103.05486	1.6
105.07026	5.1
107.04968	1.1
107.08591	5.1
108.05286	0.9
109.06541	1.2
109.10162	1.2
119.04954	15.1
119.08586	4.3
121.06482	1.0
121.10139	3.1
123.08032	3.8
131.08530	1.4
133.10089	3.1
134.09665	21.6
135.08076	1.1
135.11697	0.8
145.10175	1.5
147.07996	1.1
149.09628	1.2
151.11192	1.0
155.08521	1.1
159.11728	1.1
159.86020	0.9
161.09494	0.9
163.11177	1.1
171.11723	1.0
173.09631	1.3
175.11131	0.8
193.85263	0.8
210.11241	100.0
211.14841	1.0
218.70068	0.8
251.17857	0.9
269.19043	1.3
271.16913	6.1
275.87970	1.0
297.18564	1.8
315.19537	1.5
436.54999	0.8
584.32135	1.4
598.33215	1.7
616.34839	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.0
75.04283	1.0
81.07063	1.2
83.41297	1.2
88.89389	1.0
91.05476	70.1
93.07033	1.4
95.08604	6.2
104.65305	1.0
105.06999	4.3
107.04941	4.7
107.08608	5.1
119.04940	14.3
119.08575	5.8
121.06515	1.3
121.10079	1.4
123.08064	4.6
124.25729	1.1
133.10150	1.3
134.09650	17.3
145.10101	1.2
157.10147	1.6
159.11713	1.4
160.19801	1.0
169.10100	1.3
171.11598	1.4
194.11783	5.1
195.11917	2.5
196.12416	1.2
210.11241	100.0
271.16971	6.3
400.16437	1.1
584.32184	1.6
598.33575	2.0
616.35016	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	617.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43702	0.5
50.98712	0.5
51.21388	0.4
53.06883	0.5
53.77018	0.5
58.00821	0.5
63.08755	0.6
71.04989	0.7
74.10176	0.6
75.02251	0.5
75.57974	0.5
75.61401	0.5
80.78969	0.6
81.03413	3.9
83.93417	0.6
83.93916	0.6
85.02894	0.8
87.06362	0.6
91.05483	1.1
95.04964	1.0
99.04456	3.5
107.04964	2.6
109.02889	5.5
119.04961	6.6
121.02823	0.6
121.06490	5.1
123.04416	23.5
124.43317	0.6
127.03911	0.8
135.45149	0.6
139.03902	18.8
147.04407	100.0
147.47839	0.6
165.05446	1.5
191.03395	15.0
203.15581	0.6
205.07059	6.9
207.06647	1.1
243.06468	2.9
243.75304	0.6
271.05939	2.4
285.07333	2.8
285.10141	4.5
291.08701	5.9
309.09674	3.7
314.48056	0.6
327.10889	5.0
447.12958	5.4
465.13971	9.2
479.46384	0.7
580.09271	0.8
599.18066	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	617.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21063	1.6
90.76625	1.9
93.07010	1.8
105.07066	3.5
119.08567	2.9
121.02606	1.9
121.10142	2.5
131.08533	3.2
135.07994	2.6
143.08571	3.0
145.10185	3.0
147.08073	2.4
155.08554	2.6
157.10088	4.0
159.11696	2.2
159.42244	1.9
167.08603	3.2
169.10115	4.3
171.11713	7.4
173.13072	2.0
181.10110	2.5
182.10901	3.8
183.11629	12.6
185.13177	2.3
187.11104	2.4
193.10133	4.2
197.13213	9.0
199.11168	2.2
207.11591	4.5
217.12216	2.2
219.11797	2.0
220.12587	2.6
221.13216	2.6
235.11102	1.9
249.16460	2.6
295.17114	2.7
313.17981	3.2
313.47229	1.8
335.16205	12.7
377.17062	11.5
395.18320	15.8
437.19370	36.6
447.06628	2.0
449.08542	4.4
449.19635	7.3
455.20224	24.1
478.74045	1.9
486.17514	2.0
497.21393	100.0
515.22607	2.4
557.15601	3.6
557.23511	45.1
617.13672	3.0
617.25012	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45924	2.2
51.98576	1.9
52.58955	2.0
55.07671	1.8
59.31858	2.4
75.37116	2.0
93.07048	4.4
105.07021	9.3
107.08607	5.2
111.04375	2.4
119.08562	14.5
120.68036	2.3
133.04530	2.4
133.06422	2.3
133.10121	4.5
143.08563	5.1
145.10129	3.0
147.08028	2.8
156.09296	3.4
157.10088	10.1
169.10104	11.9
171.11707	9.5
182.10857	5.3
183.11711	3.9
187.11133	3.8
193.10149	4.4
195.11777	3.6
197.13269	27.6
207.11850	3.8
209.13182	3.3
220.12477	3.1
221.13203	3.4
234.14111	3.1
249.16333	9.0
267.17633	3.5
277.15802	5.4
295.16922	9.3
313.17972	3.1
317.15186	4.1
335.16055	3.7
345.72195	2.7
377.17206	39.4
395.13483	4.5
395.18237	76.3
437.19357	59.2
455.20352	36.9
497.14551	4.8
497.21451	95.9
557.23596	100.0
617.25555	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18125	1.5
69.03421	1.6
79.05501	1.8
91.05461	3.0
97.02903	8.3
99.77330	1.5
105.06989	2.6
110.99374	1.6
119.08589	4.2
120.01796	12.0
143.08595	3.1
145.10027	2.4
155.08566	2.0
156.09291	3.0
157.10204	6.3
159.11627	2.9
161.62958	2.0
165.92619	1.6
169.10114	8.0
171.11699	7.6
180.03978	3.1
181.09987	2.0
182.10907	9.9
183.11702	16.9
183.13293	1.7
197.13255	26.5
198.14044	3.5
199.11247	2.1
207.11710	3.5
215.14394	2.9
220.12527	2.0
235.62804	1.6
313.18265	1.7
347.64233	1.7
377.17255	9.8
395.18277	28.5
437.19366	44.1
447.18066	3.7
455.20416	26.7
465.19012	7.3
497.21454	100.0
557.23535	34.7
617.25122	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45795	1.2
53.19879	1.4
67.05489	1.7
91.05464	3.1
92.18476	2.7
95.04948	2.1
105.07011	6.1
119.08564	2.3
121.06507	2.6
121.10165	6.1
131.08549	3.2
133.10085	3.9
143.25323	1.6
145.06532	2.1
145.10149	2.3
147.08031	2.8
157.10139	3.0
169.10115	3.0
171.07977	1.8
181.10187	2.6
192.09407	2.3
193.10077	2.4
195.11646	3.0
204.71863	1.8
207.11673	6.6
237.12631	2.4
267.17334	2.0
385.02267	1.6
389.45169	1.7
497.21225	7.7
557.23572	100.0
559.19946	1.9
609.21136	1.6
617.25476	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2571
Annotation	7-Acetyl-11beta-acetoxydihydronomilin
Peak:m/z	Relative Intensity
62.63015	1.2
66.28493	1.0
71.27336	1.3
74.04304	1.3
78.36892	1.3
78.76120	1.2
80.80671	1.1
92.17833	3.0
95.04969	1.4
103.42722	1.3
105.07017	2.9
117.07003	1.4
133.06493	1.6
133.10153	1.3
143.08580	1.9
151.31895	1.2
163.11108	5.2
166.08890	1.5
221.91870	1.3
267.17505	1.4
286.21204	1.6
345.01337	1.4
347.48816	1.4
437.19141	2.3
479.35397	1.4
490.47318	1.3
497.21613	12.6
507.91138	1.3
551.67871	1.5
557.23529	100.0
584.03522	1.3
613.26337	1.5
617.26941	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	617.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43653	0.7
67.11710	0.8
71.55314	0.8
91.05498	1.2
92.17822	0.9
95.94843	0.9
121.09895	0.8
162.05496	10.8
176.37813	0.9
202.56648	0.9
203.62823	0.9
258.13617	1.7
259.14386	40.2
268.03860	0.8
285.12265	1.7
299.05634	1.2
315.15976	1.1
365.18427	1.0
380.19656	27.4
382.21204	84.4
406.17697	1.2
408.19305	1.4
425.19394	4.9
426.20178	72.6
452.18167	1.0
456.21252	3.9
587.16730	1.0
587.24591	7.0
617.13995	3.0
617.26019	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	617.2617
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
70.36341	0.8
76.89440	0.8
91.05432	1.3
94.29401	0.8
105.07095	1.2
119.09935	0.8
162.05518	9.5
175.05048	0.8
258.13696	1.3
259.14404	45.5
259.17151	1.6
285.12378	3.5
309.18552	0.9
380.19696	27.3
382.21265	92.9
406.17749	5.4
425.19550	4.3
426.20227	74.1
452.17963	1.5
456.21426	7.6
525.30524	1.0
587.25165	6.7
617.26025	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	617.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94635	0.6
60.19477	0.5
60.49725	0.5
66.21851	0.6
89.43427	0.6
91.05473	0.6
100.26469	0.7
107.47923	0.7
133.10097	0.9
261.56647	0.7
490.56580	0.7
512.70789	0.7
617.27228	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	617.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88050	1.0
63.15854	1.2
72.36874	1.1
90.04317	1.3
107.60760	1.2
119.98336	1.8
148.06027	1.6
328.95087	1.4
617.27264	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	617.2936
Annotation	YM 47524
Peak:m/z	Relative Intensity
54.08654	1.0
55.48713	0.9
61.85936	0.9
71.47929	1.0
81.07042	1.0
92.17700	1.1
94.54243	0.9
95.33389	1.0
110.33820	1.1
132.27283	1.2
141.05257	5.8
143.08577	1.5
161.67979	1.0
181.10320	1.2
223.11073	1.9
231.65721	1.2
239.14345	1.2
246.15489	1.0
283.13232	2.1
319.16788	2.5
379.18738	10.6
439.21017	2.4
445.44406	1.1
499.23108	4.5
557.27148	1.2
599.21881	1.4
617.29309	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	618.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95613	0.6
62.63712	0.5
66.27076	0.5
68.32433	0.5
91.05480	63.2
94.44337	0.6
99.62183	0.7
103.05439	0.9
105.07036	0.7
119.04958	13.1
134.09657	15.8
137.05981	0.9
160.80782	0.6
169.10120	0.8
209.13213	1.5
210.11240	100.0
215.03856	0.6
241.99394	0.6
446.23685	0.9
464.24368	4.7
479.75079	0.7
482.25510	5.8
503.53745	0.8
618.23676	1.2
618.32861	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	618.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75827	0.6
53.08713	0.7
55.05513	0.8
56.15643	0.6
56.19471	0.7
71.97098	0.8
79.05485	1.1
80.47141	0.8
81.07057	0.9
84.68356	0.8
88.82715	0.7
91.05476	64.7
93.07037	1.1
95.04965	0.9
95.08608	1.5
103.05453	1.5
105.07027	4.6
107.05006	0.8
107.08612	5.5
107.46899	0.8
109.10125	1.5
119.04916	12.4
119.08582	3.6
121.06461	0.8
121.10128	1.4
121.53717	0.9
124.25840	0.7
131.08572	1.0
133.10112	3.0
134.09651	18.8
135.08023	1.4
135.11661	1.8
143.08604	1.2
145.10182	1.7
147.11708	2.7
155.08505	1.2
157.10147	1.9
159.07933	0.7
159.11679	1.0
169.10216	0.9
171.11626	1.3
173.13173	0.9
183.11623	1.2
185.13252	2.7
187.11011	0.8
195.11742	0.9
197.13275	1.2
199.14743	0.8
210.11247	100.0
253.19395	1.2
255.17424	4.9
273.18546	1.5
282.39499	0.8
367.57825	0.8
551.13983	1.0
552.38672	0.9
586.33868	1.5
618.27850	0.8
618.36646	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	618.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87281	1.1
75.31785	1.0
76.67929	1.0
79.05479	1.4
91.05482	73.2
93.07044	1.8
95.08597	2.1
101.30373	0.9
103.05466	1.3
105.07059	4.2
107.08585	6.0
109.10157	1.6
119.04936	14.8
119.08546	4.5
121.06515	1.6
123.11733	1.1
123.43483	1.0
124.03967	1.5
131.08594	1.5
133.10133	2.3
134.09657	19.0
135.08000	1.1
135.11678	1.8
137.13240	1.4
141.36826	1.0
145.10167	1.9
147.11745	2.5
152.80345	1.0
155.08591	1.3
159.11769	1.5
165.38847	1.1
171.11609	1.9
173.13269	1.3
173.40974	1.1
175.01706	1.0
197.13237	2.2
207.11710	1.7
207.67572	1.1
210.11258	100.0
253.19328	1.3
255.17482	2.4
263.17926	1.1
268.66568	1.1
270.76990	1.0
273.18564	2.2
299.20026	2.3
456.27158	1.7
456.87720	1.1
521.12488	1.2
524.37445	1.2
559.17322	1.4
586.33331	1.7
618.36633	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87707	6.0
54.58165	6.5
55.05512	7.7
64.59028	8.1
80.79505	7.8
83.08641	15.3
90.92874	7.5
93.07062	10.1
95.08627	13.0
105.07009	13.8
107.08575	18.3
119.08577	17.8
121.10143	10.5
123.08062	12.7
131.08510	15.4
133.10153	9.9
145.10120	17.7
157.10118	18.0
159.11703	13.1
165.09119	12.8
175.11081	10.7
185.13350	10.5
197.13184	12.4
204.14861	8.4
220.60806	7.9
221.15338	14.7
287.20230	14.4
352.23917	33.0
538.36444	100.0
618.42755	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78025	1.5
55.05510	11.3
57.07079	2.8
62.32274	1.9
67.05527	2.9
69.03424	2.6
69.07057	4.2
71.99306	1.9
76.47757	2.0
79.05504	2.8
80.38297	2.0
81.07060	12.7
83.08630	22.0
85.06585	2.1
91.05476	8.5
93.07045	20.0
95.04973	8.1
95.08595	9.8
97.06511	7.7
105.07028	17.5
107.08592	21.9
109.06508	9.9
109.10165	3.1
113.09642	3.4
117.06984	3.0
119.08577	28.1
120.09358	3.1
121.06455	2.7
121.10141	16.6
123.08079	10.9
125.09619	3.5
129.07051	3.7
131.08603	17.9
131.09441	2.2
132.09354	3.0
133.10136	12.7
135.08076	11.4
135.11697	3.2
137.09613	3.6
139.11157	4.8
143.08578	11.8
144.09398	7.1
145.10094	27.9
147.08061	9.9
147.11661	4.2
149.09613	4.3
151.07539	7.6
155.08521	2.8
155.10640	2.0
156.09346	2.6
157.10130	25.2
159.08020	3.6
159.11697	14.1
160.08870	4.5
161.09615	8.8
161.13226	3.5
163.11134	3.9
165.09087	25.3
169.06104	1.9
169.10118	7.8
170.10947	3.2
170.78987	2.0
171.11676	12.6
173.09656	3.0
173.13261	3.4
175.11194	9.3
181.10063	2.6
183.11700	11.7
183.42949	2.4
185.13306	4.0
187.11182	4.2
189.12711	4.2
190.13542	2.5
191.14502	2.0
193.12297	3.6
195.11719	4.7
197.13280	10.6
199.14888	3.5
201.12633	2.9
203.14326	8.6
207.11783	2.3
207.13850	7.9
208.14523	7.2
209.13300	7.7
211.14876	4.1
221.13361	3.7
221.15298	27.0
223.14745	4.3
225.16447	2.5
231.13843	3.7
231.48094	2.4
233.15340	3.7
234.16093	7.4
237.16574	2.0
247.17018	3.7
251.14366	3.0
259.17038	2.3
287.20087	19.4
291.21188	2.5
296.29654	2.1
297.18521	2.5
299.20169	8.1
300.20618	2.4
300.89648	2.2
305.14584	2.0
325.21625	8.5
337.21671	2.8
352.23993	42.9
365.24783	7.7
431.59180	2.3
472.31519	9.7
525.35358	8.1
538.36554	100.0
600.41846	2.2
618.42737	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.3
58.79699	9.4
66.78934	9.9
83.08607	26.5
84.98055	10.7
107.08559	18.0
111.87865	10.7
119.08533	17.0
123.08040	14.1
124.84087	12.8
145.10164	21.5
157.10138	15.1
159.11670	16.1
165.09070	21.9
287.19955	16.3
325.21747	15.5
351.35550	12.0
352.24008	17.3
363.23224	12.8
400.56238	11.3
442.29950	12.5
538.36475	100.0
618.42810	43.4
636.12561	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	28.7
60.29187	5.6
67.05492	13.1
69.07044	6.2
75.45067	6.6
79.05505	11.3
81.07052	36.9
83.04964	13.1
83.08607	36.2
83.67794	5.9
85.06534	7.5
85.53679	6.7
91.05465	14.8
92.17883	12.3
93.07028	38.5
94.25530	6.5
95.04906	7.9
95.08602	37.1
97.06528	12.0
104.10732	14.8
105.07044	46.1
107.08591	56.5
109.06546	6.5
109.10146	15.8
113.09680	7.4
117.07004	14.2
119.08609	57.9
121.10155	36.1
125.09621	12.1
129.07001	7.7
131.08565	25.8
133.10144	29.5
137.09622	9.8
138.71887	6.1
139.11189	12.0
143.08565	27.1
145.06438	7.5
145.10138	48.8
147.11688	13.4
155.08479	10.1
156.09412	8.2
157.10110	59.2
159.08046	13.1
159.11719	33.9
161.09583	8.3
165.41808	6.8
167.10774	11.0
169.10103	12.5
171.11725	26.8
173.13243	10.7
181.10092	8.8
181.12196	9.6
183.11697	28.7
185.13316	7.3
191.14214	7.2
195.11702	25.5
197.13263	55.5
199.14732	9.5
207.11690	10.9
209.13339	15.7
211.14928	8.1
221.13316	8.9
221.15356	7.9
223.14841	9.6
233.15388	30.1
235.14920	10.0
237.16411	9.1
247.14667	11.5
255.17378	28.0
258.61606	6.3
319.19586	7.3
336.39508	7.3
367.51727	6.4
369.57434	7.2
418.81485	6.3
482.12045	7.9
600.41675	11.1
618.32886	10.6
618.42694	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	619.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88435	0.8
57.70085	0.9
76.44685	1.0
105.25668	1.0
105.53079	1.1
123.04425	26.7
125.02342	1.2
125.05940	1.0
135.04405	23.3
137.02341	10.8
137.05962	5.8
141.05457	82.6
153.05440	13.9
159.04376	2.3
163.03877	31.7
164.07109	5.7
165.05447	7.8
169.04973	2.3
181.04921	9.9
183.07799	1.3
187.03864	2.1
197.06041	1.4
200.44601	1.0
211.07452	2.0
215.06985	1.3
229.08450	1.5
231.03087	1.2
243.06479	6.1
257.08081	7.3
259.14368	39.6
261.07565	27.3
271.06076	1.0
285.04291	1.2
285.07529	7.6
285.12396	2.5
299.05527	13.7
303.08688	9.1
313.06976	14.5
315.04938	18.5
317.06528	58.4
327.04553	1.3
329.06589	10.3
338.31577	1.1
357.06305	1.4
359.07645	6.2
369.05994	1.8
380.19666	6.7
382.21222	90.9
406.17694	1.7
408.19232	2.1
425.19418	1.7
426.20248	38.2
435.06927	15.1
437.08551	4.0
449.08591	1.3
456.21210	14.4
467.09695	10.4
589.26514	2.4
619.14264	100.0
619.27380	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.145
Annotation	CHEBI:65389
Peak:m/z	Relative Intensity
59.31314	1.2
63.38995	1.3
65.62126	1.3
73.33758	1.3
74.18153	1.2
91.05444	2.4
107.04951	86.5
112.87195	1.4
114.35023	1.7
116.29015	1.3
119.04933	80.1
119.46671	1.3
120.60682	1.4
121.02852	9.7
123.04440	2.3
124.42565	1.4
125.02326	2.1
125.06048	1.7
133.06497	2.1
135.04391	2.4
136.25687	1.4
137.06006	6.8
141.05450	14.4
145.06499	3.2
147.04401	63.9
153.01775	5.9
153.05443	28.8
161.05946	5.0
163.03905	23.0
164.07048	3.2
165.05470	19.0
171.04390	5.2
181.04965	48.0
181.06500	7.6
182.07271	1.9
185.06007	2.5
189.05524	2.8
198.06776	1.9
199.07515	1.5
209.06140	2.0
213.09093	8.3
227.06989	11.0
229.08501	1.7
237.05460	1.6
241.08577	19.3
245.08064	100.0
258.13416	1.4
259.09628	6.8
259.14346	24.9
269.08038	15.5
284.03073	1.7
287.05826	3.1
287.09094	69.3
299.05521	29.1
313.07037	23.5
317.06494	15.0
328.93344	1.5
331.04428	20.7
333.06036	41.1
345.06067	17.3
373.05521	2.0
375.06958	11.0
380.19754	15.1
382.21219	52.1
395.07715	1.8
425.19162	1.7
426.20203	51.2
437.08777	14.8
451.06351	14.7
456.21173	2.9
465.08035	2.2
483.09143	36.5
589.26483	7.0
619.14319	65.2
619.27435	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25377	1.3
77.31973	1.5
107.04960	41.2
108.86326	1.4
119.04921	26.3
121.02871	2.2
123.04430	8.4
136.52432	1.6
137.02341	49.8
137.05943	3.6
141.05437	3.8
147.04416	22.2
153.05440	10.8
160.70724	1.7
163.03900	9.9
165.05518	12.6
181.04926	10.0
181.06407	1.9
209.04454	3.0
213.09006	2.6
227.07059	2.7
229.08542	3.7
241.08469	3.0
245.08078	100.0
249.04030	2.6
259.09708	3.0
269.08121	8.3
270.36874	1.6
273.07623	29.6
285.07568	2.0
287.09106	31.5
299.05368	3.9
301.07120	6.5
313.07190	1.8
329.06573	8.2
347.07715	3.3
435.09955	1.6
437.08521	1.9
451.68207	1.9
465.08051	14.4
476.25800	1.8
477.08182	6.6
483.09167	21.1
524.58362	1.8
619.14191	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	619.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.8
61.50380	0.5
65.62268	0.7
67.65607	0.6
69.35016	0.6
98.97600	2.7
110.97562	1.0
124.99094	1.5
143.00160	3.3
152.85513	0.7
157.01689	1.6
158.99683	1.2
161.01228	0.9
173.01245	1.4
177.00568	0.8
189.00713	0.8
191.02362	1.1
201.00720	1.1
216.10165	0.6
219.01926	0.9
231.01910	1.2
233.03218	10.3
241.03062	4.1
251.04364	97.7
253.07729	0.7
269.05423	100.0
274.05942	1.3
277.07571	1.4
287.06494	8.3
291.09229	1.5
293.05457	0.8
305.07187	1.4
311.06525	2.4
319.06619	6.7
321.04886	6.8
335.06458	1.2
337.08014	6.1
339.06006	13.1
347.06396	15.2
365.07513	15.8
407.08658	11.5
424.94104	1.0
425.05475	9.2
425.10580	21.3
427.11230	14.2
433.74628	0.7
443.11142	7.6
445.12341	1.2
479.60968	0.9
601.16638	13.9
619.17468	25.3
627.93500	0.7
629.37408	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	619.176
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77573	0.9
68.28420	0.8
70.64909	1.0
73.91328	1.0
73.95873	0.8
77.84458	0.8
94.40814	0.9
98.97589	4.0
101.83124	1.1
143.00168	4.4
146.99602	1.6
157.01727	1.2
158.99673	3.9
161.01254	1.6
168.00150	1.4
170.99696	1.1
173.01276	2.0
174.00168	1.1
174.99092	0.9
177.00713	1.6
180.99045	1.1
186.99164	1.0
189.00681	8.8
198.01247	3.5
201.00693	3.5
205.00237	3.3
210.01282	3.4
217.00128	1.9
219.01701	6.5
220.83026	1.1
226.00714	1.5
230.33029	0.9
231.01721	5.3
233.03253	9.6
241.03111	1.1
249.02666	0.9
251.04364	89.6
261.02756	4.2
269.05432	100.0
274.05884	1.4
279.03815	0.9
287.06500	9.8
293.05264	1.1
311.06381	1.3
319.06995	8.6
321.04980	6.3
337.08273	4.6
339.05957	12.1
347.06424	13.5
365.07547	12.4
367.09421	1.0
407.04263	1.0
407.08759	11.7
425.05383	6.8
425.10492	20.5
427.11166	17.6
434.70547	1.1
443.10968	8.9
445.11905	1.2
448.08124	4.6
469.08572	2.0
552.13324	1.3
601.16498	10.8
619.17603	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08115	0.7
67.94434	0.8
71.37661	0.8
86.12325	0.9
91.05460	1.0
92.18476	1.5
105.07018	0.8
113.05943	1.1
131.08549	1.3
132.20969	0.8
147.08022	1.2
152.62677	1.0
162.76685	0.8
210.11176	1.2
335.12598	1.3
344.59552	0.9
395.14850	6.4
455.16544	6.3
515.18518	1.5
529.08258	0.9
619.19873	100.0
619.27765	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	619.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75450	2.4
57.07063	2.9
61.90033	2.1
62.91310	2.4
67.05504	13.4
69.07051	4.9
69.63068	2.2
74.17308	2.3
77.10776	2.5
79.05485	16.3
81.03400	17.8
81.07042	14.5
91.05466	11.3
93.07044	37.4
95.04960	26.7
95.08624	19.5
105.07016	22.4
107.08603	39.2
109.10141	12.7
117.06999	4.4
119.08565	24.7
121.10136	25.1
123.11658	3.4
128.06221	4.3
129.06964	3.7
130.07814	3.0
131.08557	18.4
133.10126	36.3
135.07057	5.1
135.08052	100.0
135.11668	6.0
143.08559	52.7
145.10139	28.8
147.11681	12.8
152.66432	2.5
155.08554	6.5
157.10094	13.0
159.08188	3.5
159.11687	12.3
161.09590	40.1
161.13277	3.7
167.08492	6.4
169.10075	5.3
171.11678	27.8
173.13252	11.0
181.10117	17.6
183.11707	15.1
185.13255	12.1
187.14813	3.6
194.10922	3.6
195.11693	22.2
197.13226	6.3
201.12721	3.8
207.11598	3.7
208.12396	6.0
209.13252	25.7
221.13231	3.2
223.14752	17.1
224.15822	2.9
235.14691	4.7
265.19504	74.8
283.20465	25.8
325.21509	4.2
439.15875	3.1
499.17554	4.2
517.18719	69.3
559.19818	6.0
619.21405	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87158	0.7
56.83216	0.7
92.18563	0.8
123.90893	1.0
191.32951	0.9
194.07458	0.9
197.09636	1.3
209.09549	1.6
213.09145	1.1
221.13277	1.1
224.11957	1.3
225.09122	4.1
227.10995	0.9
237.09120	1.8
239.14322	3.6
241.08704	1.3
249.41405	0.9
252.11386	5.7
255.10211	4.0
262.09799	1.0
265.08591	6.9
267.06540	1.3
267.10437	1.3
267.13766	28.4
279.13770	1.7
282.08878	10.4
282.12494	4.7
283.09686	7.2
284.10443	1.4
295.13293	30.1
297.14917	4.2
307.13297	1.9
310.11945	2.0
323.12625	8.1
325.14340	100.0
387.19595	0.9
453.35361	1.0
509.77448	0.8
619.26813	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69947	0.3
53.16617	0.3
67.16154	0.3
68.23868	0.3
83.26494	0.3
92.18534	0.8
136.07518	1.7
157.89832	0.4
164.07005	3.8
185.17592	0.4
230.24742	0.3
241.13202	0.5
252.18431	0.4
258.13632	2.8
259.14392	52.5
285.12317	5.0
289.11588	0.4
300.62512	0.4
332.73001	0.4
373.79199	0.4
376.72067	0.4
380.19687	7.7
382.21210	100.0
406.17493	2.3
408.19144	2.8
425.19324	3.5
426.20200	32.0
452.18304	1.9
456.21268	17.1
456.27594	0.8
482.19217	2.6
528.68842	0.4
589.26459	3.7
619.27594	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	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82782	0.5
51.12236	0.5
68.50511	0.6
75.64082	0.8
86.76077	0.8
87.24139	0.8
99.49225	0.6
105.81896	0.7
136.07562	0.9
149.57758	0.6
164.07063	3.1
182.81747	0.8
258.13712	2.8
259.14401	49.0
285.12415	5.4
348.38440	0.9
380.19675	5.9
382.21228	100.0
406.17657	1.3
408.19052	4.4
425.19476	3.8
426.20175	29.8
452.18265	1.4
456.21313	15.8
482.19205	1.7
589.26489	3.0
619.27606	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87357	1.0
55.80020	1.1
57.29440	1.1
89.01885	1.1
97.47553	1.1
122.06013	2.3
123.04429	1.7
124.07584	1.8
136.07341	1.5
138.09143	8.2
144.19154	1.3
144.87224	1.2
164.07076	5.1
164.10698	2.8
174.09134	22.0
176.10715	2.0
192.10202	6.0
192.99243	1.3
204.10220	2.8
217.09798	2.4
235.10852	1.6
245.09154	2.0
257.09241	5.6
257.12823	1.5
261.08688	90.7
263.10260	2.1
269.09183	1.5
285.08731	8.7
285.12305	5.5
287.10251	29.2
299.97278	1.3
300.11090	2.4
301.11807	90.8
313.08170	15.4
315.09717	6.1
378.18094	3.0
380.19760	1.8
382.21329	2.1
390.90219	1.4
398.17062	8.1
406.17505	32.6
408.19214	8.0
418.17569	2.0
420.18738	1.4
424.18930	5.3
426.20309	1.9
434.17081	30.4
436.18851	2.2
450.16193	2.6
452.18097	45.3
456.21283	1.7
464.18076	2.5
468.17740	2.3
479.34012	1.6
480.17261	1.4
482.19229	7.3
571.25525	6.1
584.49005	1.5
589.17090	2.6
589.26514	69.3
592.69745	1.5
601.26459	2.7
619.27509	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	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41307	0.8
61.54556	0.7
98.29774	0.9
156.13145	0.7
193.09694	0.7
213.99464	0.8
242.05399	0.8
284.11670	3.6
285.12314	60.1
348.17023	0.9
406.17566	45.6
408.19162	46.3
408.24619	1.7
436.18884	1.5
451.17398	3.7
452.18130	52.8
482.19232	9.0
563.59741	0.8
589.26544	3.4
619.27594	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	619.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14776	0.3
77.89296	0.3
91.05440	2.2
101.62086	0.3
106.83476	0.3
111.07224	0.4
119.04884	0.5
122.06016	0.4
151.43413	0.3
210.11229	2.4
211.11543	0.7
218.92657	0.4
228.55011	0.4
252.47803	0.4
259.14328	0.4
284.11594	3.9
285.12323	71.5
362.18652	0.7
364.20279	0.6
378.18262	0.7
380.19833	0.7
382.21365	1.3
390.18118	0.7
391.15302	1.7
406.17609	57.5
408.19177	54.8
418.48276	0.4
426.20334	0.6
434.17303	0.4
436.18777	2.2
451.17578	3.2
452.18146	58.2
482.19266	12.8
505.03482	0.4
564.48462	0.4
589.26764	2.9
619.27631	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	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79829	0.5
59.53202	0.5
76.07011	0.6
91.05480	0.7
96.84362	0.6
102.96787	0.5
151.03940	1.1
164.07092	0.6
184.21490	0.6
211.01337	0.5
241.13358	1.2
274.59894	0.6
285.12323	24.6
305.15109	0.7
322.18857	2.0
327.85696	0.5
346.15485	0.8
346.19293	0.7
348.17035	6.3
362.18607	11.8
365.19003	0.6
376.19962	0.7
378.17737	0.8
380.19870	2.8
391.15933	0.8
404.19992	1.1
406.17572	43.5
407.18582	0.8
408.19153	15.0
422.20709	8.0
425.51968	0.6
426.20349	0.9
451.17386	1.1
452.18140	40.0
453.19537	0.7
454.15952	0.7
455.20554	0.8
470.22198	0.8
482.18909	1.1
483.23929	12.2
485.25562	11.3
499.51083	0.7
525.24298	0.8
527.85980	0.6
529.24402	2.7
543.26385	1.3
545.27533	2.6
589.26544	10.3
619.27606	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	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95402	1.0
68.21825	0.9
68.26427	0.9
80.44575	0.9
89.72882	0.9
104.53416	0.9
165.75850	1.0
195.76749	1.0
284.11829	3.6
285.12311	70.6
321.63321	1.2
361.95691	1.1
391.15509	2.1
406.17557	55.9
408.19128	55.5
426.20398	2.0
436.18509	1.3
451.17392	2.3
452.18109	61.6
474.21097	1.1
482.19003	10.6
589.26685	2.0
608.86682	1.0
619.27594	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	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
90.25655	0.9
94.91518	1.1
103.15004	1.1
112.18642	1.0
133.64104	1.1
139.03992	1.2
141.43869	1.1
153.05466	1.5
153.28267	1.2
245.74925	1.0
273.14758	1.4
284.11386	4.1
285.12305	76.6
382.20984	1.3
406.17606	60.1
408.19128	62.7
436.18326	1.6
451.17264	2.1
452.18146	58.5
482.19293	11.4
490.31027	1.2
530.73340	1.2
589.26453	5.2
619.27570	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	619.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21640	1.1
60.52237	1.3
61.54452	1.1
71.95136	1.3
74.67271	1.3
78.94088	1.2
79.52292	1.2
86.10413	1.3
107.04974	1.4
112.00967	1.1
117.87650	1.2
121.10171	1.2
122.09643	2.1
189.99998	1.3
348.17233	4.7
349.17770	9.0
350.18671	3.0
378.18121	1.5
380.19678	1.9
395.18301	1.9
396.19205	2.0
402.18030	2.1
403.18970	2.1
404.19891	7.4
406.17734	1.5
407.03781	1.4
408.19250	1.8
420.19257	1.3
421.20132	2.2
422.20547	5.7
422.58047	1.3
423.21408	1.7
450.20221	18.5
467.20682	1.5
471.23889	19.3
483.24072	6.4
483.91711	1.6
517.24170	15.6
525.24878	13.4
543.26093	6.5
571.25647	11.4
589.26617	14.1
619.27588	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	619.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52093	6.3
62.54107	7.8
72.63457	6.2
79.05516	10.4
81.03416	48.9
81.07043	37.4
93.07045	72.6
95.04978	29.8
95.08594	13.8
105.07006	11.8
107.08580	43.3
109.10161	11.9
119.08566	36.4
119.76399	7.2
121.10129	14.4
133.06479	12.5
133.10117	63.7
135.08069	88.7
145.10158	15.9
147.11632	12.7
156.87239	7.1
159.11723	10.6
161.09578	100.0
163.11198	8.7
180.07805	7.7
209.13213	12.1
223.14746	9.3
261.37039	7.6
265.19409	17.8
283.01971	9.9
283.20444	74.9
325.21359	8.7
343.22620	49.9
452.71466	8.3
598.43860	8.2
642.43634	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	619.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52093	6.3
62.54107	7.8
72.63457	6.2
79.05516	10.4
81.03416	48.9
81.07043	37.4
93.07045	72.6
95.04978	29.8
95.08594	13.8
105.07006	11.8
107.08580	43.3
109.10161	11.9
119.08566	36.4
119.76399	7.2
121.10129	14.4
133.06479	12.5
133.10117	63.7
135.08069	88.7
145.10158	15.9
147.11632	12.7
156.87239	7.1
159.11723	10.6
161.09578	100.0
163.11198	8.7
180.07805	7.7
209.13213	12.1
223.14746	9.3
261.37039	7.6
265.19409	17.8
283.01971	9.9
283.20444	74.9
325.21359	8.7
343.22620	49.9
452.71466	8.3
598.43860	8.2
642.43634	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	620.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09459	0.4
58.06607	100.0
58.19460	0.4
59.24371	0.4
63.94456	0.5
81.03428	1.2
91.05427	0.5
92.17778	1.2
93.07066	1.0
95.04994	0.8
99.19628	0.5
104.63570	0.6
107.08615	1.1
119.08582	0.8
132.55577	0.5
133.10139	1.1
135.08037	3.6
136.08472	0.6
136.31953	0.6
145.10201	0.9
157.10164	0.9
161.09590	4.4
162.10104	0.6
163.11261	0.5
172.26170	0.4
177.97314	0.5
223.14748	0.6
268.95016	0.5
283.20743	1.2
284.20969	1.7
344.23111	0.7
384.38348	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	621.16
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15337	1.1
64.97936	1.1
95.04964	1.9
107.04948	55.0
119.04925	87.6
121.02856	6.5
123.04423	16.8
125.02336	3.0
128.63029	1.1
133.06520	2.5
137.02332	26.9
137.03331	2.6
137.05965	10.3
141.05467	7.8
145.06473	2.4
147.04393	55.7
153.05461	14.0
161.06013	2.0
163.03877	21.0
165.05461	42.8
165.06725	1.8
171.04332	1.6
181.04961	28.3
181.06485	3.0
193.05016	5.7
197.17075	1.2
205.05003	4.9
212.04599	1.3
213.09117	8.2
227.06934	7.1
229.08607	6.1
241.08546	19.8
245.02917	1.4
245.08052	25.1
257.08038	10.2
259.09647	13.0
269.08032	13.8
271.05942	5.3
285.07507	15.1
287.09113	100.0
301.07031	5.0
303.08630	9.8
313.07162	6.4
315.08554	16.8
315.11859	1.3
315.13705	1.7
327.08658	1.5
331.08032	7.8
349.09241	2.7
361.09283	1.9
380.19748	8.9
393.19827	1.3
406.17743	1.4
426.20215	19.5
450.15601	1.4
452.18085	2.5
467.13010	7.0
485.14615	12.3
621.18567	44.4
621.29187	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	621.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50418	1.4
72.33074	1.7
81.07074	2.9
89.88461	1.5
91.89692	1.6
97.10211	2.0
105.07014	3.2
107.04967	2.2
109.06501	4.0
109.10116	1.9
119.08585	8.3
125.09586	2.7
131.08560	3.4
133.10101	3.5
143.08568	6.7
145.06506	4.3
145.10085	3.6
147.08041	4.0
155.08556	3.6
157.10146	3.6
161.09601	2.3
169.10118	6.9
179.08554	11.8
181.10086	3.6
183.07959	2.8
183.11736	6.6
187.11127	3.4
191.08583	3.5
192.09286	3.4
193.10121	10.7
195.11667	11.3
197.09579	3.3
197.13304	7.0
206.10895	21.6
209.13234	2.0
211.11209	2.0
211.14867	10.7
221.13242	49.1
223.11041	2.9
237.12862	3.6
239.14281	33.4
251.17934	2.0
257.15302	2.7
279.17435	6.6
297.18488	11.8
299.16345	3.0
315.19418	2.0
321.14590	56.0
335.91150	2.0
339.15640	1.9
357.20551	2.5
379.18552	2.5
381.16699	100.0
417.22546	3.7
439.20889	20.8
443.18466	2.8
448.47470	1.7
499.23007	62.5
503.20462	13.9
561.24847	2.4
621.26636	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97729	0.8
63.19903	0.7
63.52124	0.8
65.26462	0.7
65.53974	0.9
71.42136	0.8
88.51025	0.9
92.17908	0.8
92.18409	1.0
92.26881	0.8
109.06528	1.0
120.89815	0.9
135.08054	1.2
183.61293	0.9
205.13924	1.0
288.49054	1.0
395.83545	1.1
419.22226	4.7
431.18750	1.4
445.20291	1.8
446.21066	6.2
447.21799	15.3
459.21942	1.5
461.19565	1.1
465.11163	1.0
474.20224	14.2
475.21118	20.5
475.27094	1.3
487.21136	5.2
488.22183	1.6
501.22903	5.0
505.26224	1.7
519.22766	1.0
529.22278	1.1
533.25562	18.4
550.69128	1.1
561.24963	60.9
593.28046	1.2
603.45349	1.5
621.27057	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.91140	0.5
77.35003	0.6
80.78564	0.6
92.86012	0.6
92.98083	0.6
93.30024	0.7
178.65904	0.6
225.87607	1.0
250.89745	0.7
265.75989	0.7
283.95218	0.8
417.17184	0.9
419.22034	6.1
431.18488	0.8
432.19394	2.7
433.20261	1.5
445.20172	4.1
446.20920	11.9
447.21835	17.3
459.22467	1.3
461.19418	1.1
463.21188	0.8
473.24084	1.5
474.20444	13.2
475.21243	17.3
477.23447	0.8
487.21609	6.6
488.21954	1.3
491.20813	1.4
501.22949	3.9
505.26550	0.9
518.22980	1.0
519.19806	1.1
533.25421	32.5
561.25006	38.8
593.27814	5.2
621.27069	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	621.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	5.6
58.46366	2.2
59.06123	13.5
59.30305	2.4
59.30615	2.4
65.84854	2.1
90.59486	2.5
96.78354	2.4
121.53595	2.5
128.77560	2.6
135.08084	3.3
213.09186	4.3
227.10632	3.7
235.52483	2.7
237.12794	4.5
239.10657	5.2
254.13017	42.3
255.10176	17.8
255.13774	31.8
267.13788	5.0
282.08932	4.2
283.09552	4.4
297.14856	100.0
299.16553	4.8
325.14285	56.6
621.28589	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	621.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63775	4.8
53.70247	4.2
55.05529	4.9
55.44884	3.7
56.03340	4.2
78.02390	4.3
81.07051	8.3
83.04989	4.4
88.59241	4.2
101.02863	4.2
105.07026	10.5
107.08550	5.0
114.67075	5.7
116.68620	4.5
119.08533	9.3
131.08589	8.7
133.10095	5.9
133.68340	5.0
143.08560	5.5
145.10083	8.5
148.77440	4.8
156.47112	4.8
169.10089	7.2
169.23352	5.3
173.09581	5.6
179.08571	5.3
181.10147	27.4
183.11543	6.6
187.11267	7.0
193.10193	8.8
195.11754	10.1
199.11145	9.1
206.10959	6.7
207.11664	5.8
209.09500	6.9
209.13277	32.1
211.14781	7.2
219.11685	18.5
220.12508	5.6
221.13193	9.6
223.11226	5.5
231.11575	36.2
235.14735	7.6
237.12715	23.6
246.13976	39.2
251.17905	22.7
255.13768	6.2
261.16348	100.0
264.15164	6.4
279.17377	76.9
297.18478	36.9
321.18536	10.1
339.19672	9.4
357.20578	7.5
399.21704	6.9
417.22546	6.0
459.24094	5.2
560.33636	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	621.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14132	1.9
52.62791	2.0
61.19878	1.8
75.85387	1.9
91.37561	2.4
91.38130	2.4
99.77525	2.3
100.99960	2.1
107.04946	24.4
107.05586	2.6
119.04941	26.9
124.07483	2.5
130.82610	2.1
137.02339	2.3
141.05405	2.7
144.36458	2.8
147.04388	25.2
153.05504	3.5
163.03882	11.0
165.05437	4.1
171.04472	2.9
178.75897	2.1
181.04938	11.6
205.04875	3.2
229.14104	2.2
231.70126	2.7
241.08650	4.6
245.07997	22.5
269.08115	9.9
273.07410	2.2
285.07550	4.3
285.12375	15.3
287.08942	26.3
301.06897	2.3
315.08508	2.2
358.61642	2.3
362.18802	3.6
380.19519	3.5
406.17618	54.3
408.19189	13.3
426.20129	3.5
452.18073	67.3
482.19366	3.0
529.10254	2.6
591.28015	15.9
621.29138	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	621.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08994	0.6
75.61252	0.8
80.72220	0.7
121.18125	0.7
124.07578	3.4
133.47557	0.7
146.86719	0.7
180.95876	0.8
210.37035	0.9
241.13470	0.9
258.63058	0.8
259.14261	0.8
285.12286	22.2
285.15167	1.3
286.12686	4.2
287.12866	1.9
289.05542	0.8
362.18567	7.4
364.20169	1.5
380.19675	8.4
382.21298	1.5
390.18204	1.5
406.17566	61.7
407.17783	3.0
408.19098	23.9
409.19339	1.4
410.19965	3.6
411.29617	0.9
422.20947	3.3
426.20197	6.4
451.17215	1.0
452.18121	81.2
453.18500	1.5
454.18771	5.9
545.27625	5.1
586.22058	0.8
591.28076	16.5
621.29065	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	621.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94940	0.6
78.48532	0.6
89.89066	0.6
95.29833	0.6
103.17715	0.6
124.07584	4.3
152.13347	0.8
239.04597	0.7
259.14520	1.2
261.86087	0.7
263.44098	0.8
284.11475	0.9
285.12283	16.7
362.18506	5.9
364.20215	1.3
380.19638	7.5
390.18048	1.3
406.17560	56.5
407.17981	0.8
408.19113	16.8
422.20822	2.6
426.20236	5.7
452.18134	70.1
482.19653	1.6
526.27313	0.9
545.27643	4.2
591.28143	13.0
621.29163	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	621.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62743	0.7
62.11716	0.4
63.45451	0.5
69.47455	0.5
84.23748	0.5
103.07700	0.5
107.04961	2.6
110.09709	0.8
119.04962	1.3
138.09172	1.1
147.04393	1.0
153.05464	0.5
159.81813	0.5
163.03873	0.7
166.08627	3.4
168.22295	0.6
196.50844	0.6
245.08150	2.2
258.13632	2.1
259.14377	41.2
268.36713	0.6
285.12268	3.8
289.11838	0.9
314.07892	0.7
380.19891	4.7
382.21225	100.0
406.17770	1.0
408.19412	4.3
425.19525	2.1
426.20178	35.0
426.25897	1.2
428.21716	3.4
441.74878	0.7
452.18057	3.7
456.21274	16.0
482.19257	2.6
591.27698	4.4
621.29150	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46040	0.4
64.46494	0.4
65.95697	0.4
66.02236	0.4
79.11351	0.4
80.77023	0.4
110.09653	1.0
138.09067	0.7
157.13539	0.5
166.08562	4.4
181.58287	0.5
230.65189	0.5
241.13345	0.6
258.13565	1.0
259.14395	41.7
277.62866	0.4
285.12378	4.6
289.11917	3.9
291.13376	4.0
326.85681	0.5
380.19632	5.7
382.21228	100.0
406.17590	2.2
408.19153	2.4
425.19470	3.1
426.20212	32.9
428.21762	14.7
452.18048	1.9
456.21307	13.2
458.22714	1.8
482.18933	3.7
591.27948	7.1
621.29126	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69036	0.6
59.53296	0.6
76.10624	0.7
80.72210	0.6
99.30148	0.7
104.86317	0.8
107.59518	0.7
124.07561	2.9
131.11339	0.7
218.99432	0.7
241.13335	0.9
284.89148	0.7
285.12314	16.4
286.12631	5.3
287.13022	1.3
315.13229	0.6
362.18652	3.6
364.20355	1.4
380.19461	8.1
382.21277	1.3
390.17932	1.0
391.15182	1.2
406.17572	52.7
407.18118	4.6
408.19028	22.0
409.19461	2.8
410.19934	4.0
414.54880	0.8
422.20795	3.0
426.20389	5.1
428.14819	0.8
451.17261	1.0
452.18130	62.7
453.18472	3.8
454.18896	4.5
482.19589	1.1
527.27020	0.8
529.28485	0.8
545.27460	3.6
591.28131	11.8
621.29083	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38551	3.4
50.67581	3.7
51.55615	3.6
55.01859	3.9
55.05516	16.3
57.03436	17.0
58.79464	4.0
60.35014	3.5
67.05503	55.1
69.03416	19.7
69.07050	8.8
71.04969	5.7
77.96575	4.2
79.05503	78.3
81.03420	56.2
81.07068	47.6
83.04958	24.1
85.02895	17.3
91.05483	100.0
93.07050	53.5
95.04971	39.9
95.08594	21.2
97.02905	17.9
97.06522	7.7
101.02396	4.8
105.07027	58.8
107.04924	10.2
107.08591	18.7
107.61565	5.1
109.06537	16.6
117.07021	30.1
119.08581	43.5
121.10121	5.8
129.06985	44.8
131.04927	4.4
131.08546	19.3
133.06502	5.8
133.10118	51.2
135.08055	8.3
141.07007	5.4
143.08549	19.4
145.06511	7.5
145.10115	10.3
147.08044	4.9
147.11681	27.1
149.09593	8.7
151.11115	4.5
155.08560	5.6
157.10146	4.8
161.05966	5.2
161.09586	33.2
161.13315	8.5
167.08546	7.3
171.08018	5.0
171.11694	25.8
173.04436	16.5
175.07509	6.4
179.10687	6.9
181.10127	5.6
189.12770	5.1
207.13733	6.7
213.12599	5.1
241.12091	4.5
253.14326	20.0
259.13196	5.0
281.17429	34.1
317.36288	4.8
441.26273	5.9
459.27344	53.9
511.30457	7.0
539.30084	17.4
557.31018	6.8
603.31573	30.3
621.32867	10.3
621.42242	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	622.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67727	0.5
54.37795	0.5
56.59716	0.5
63.54618	0.6
68.99800	0.7
118.88432	0.6
123.04443	10.1
135.04404	3.3
139.03902	100.0
150.67632	0.7
151.03870	4.6
163.03880	12.6
179.03383	8.5
189.05453	0.9
201.05562	1.2
203.03419	0.9
207.06506	0.7
213.05513	1.4
215.03343	2.7
215.07034	1.4
216.84985	0.7
217.04933	3.9
229.04964	1.2
231.06656	0.8
241.04915	2.6
245.04425	19.1
247.06161	0.7
255.06569	6.5
257.04416	6.2
259.05945	10.4
263.05460	1.1
263.83969	0.7
265.04822	0.8
269.04410	6.3
270.05362	0.7
271.05984	7.2
273.07590	1.2
283.05994	22.1
283.08981	1.2
287.05527	16.9
299.05542	16.9
301.07013	6.5
311.05511	4.9
312.85773	0.7
411.10571	0.7
421.09229	8.7
439.10214	23.1
451.10291	0.9
591.05817	1.4
591.15027	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13333	2.5
63.33753	3.4
83.63786	3.3
90.46494	3.1
105.07032	4.0
107.04894	3.5
109.06429	4.0
114.19495	3.2
121.06474	5.2
123.07944	3.7
131.08606	4.1
143.02536	4.2
145.06528	4.2
154.02016	3.2
159.08026	12.7
159.45824	3.8
161.09563	14.0
163.07571	4.6
169.10072	4.7
173.09558	16.2
181.10121	6.3
183.11708	6.5
185.09589	5.1
189.09074	4.1
193.10104	4.8
195.11743	5.2
197.09622	5.6
197.13191	7.4
199.11162	16.7
207.11713	13.2
209.09673	12.0
209.13184	6.3
210.10481	4.4
211.11217	18.8
212.11974	12.1
213.12733	15.0
219.11511	4.2
221.13289	4.5
223.11124	7.7
223.14746	6.0
225.12704	27.4
235.11058	11.6
236.11928	5.4
240.11467	6.4
245.07330	13.7
247.14871	5.5
251.14217	5.4
253.12254	13.2
261.10358	5.9
265.15891	14.3
271.09036	4.0
275.14514	5.8
289.09830	24.4
293.15424	14.0
301.13510	7.4
307.11130	5.0
311.11871	15.1
311.16205	5.6
319.14371	3.5
329.13074	31.5
347.14096	29.4
349.11938	5.7
365.15112	4.9
367.13043	83.0
384.29971	3.8
389.15170	19.4
407.16223	23.2
409.14099	100.0
425.17294	6.5
449.17169	5.9
467.18375	13.2
485.19342	6.3
509.19138	8.2
527.20483	6.3
622.27789	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	622.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48873	3.6
51.50793	3.5
66.49633	4.0
69.53011	3.7
120.21182	4.4
184.07329	8.1
196.10300	4.5
196.64923	4.5
223.67584	4.4
236.37712	5.0
389.97198	4.4
400.83612	4.8
409.92096	4.7
461.19308	5.5
475.21249	29.6
476.22064	8.7
477.22958	7.5
622.27777	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	622.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
51.77147	0.5
51.91042	0.4
54.26131	0.4
57.05865	0.4
57.07070	0.6
61.43151	0.5
61.92859	0.4
67.85523	0.5
69.07058	0.7
72.89518	0.5
74.06081	8.5
79.05491	8.1
81.07036	0.7
83.08633	0.5
90.63277	0.6
91.05476	2.5
93.07027	3.8
95.04922	0.7
95.08591	3.0
105.07026	8.1
107.04951	100.0
107.08591	3.8
109.06583	0.5
109.10151	3.0
119.08566	7.6
120.08107	13.7
121.10120	2.1
129.06996	1.0
131.04929	1.2
131.08534	4.6
133.10126	15.5
135.08105	0.6
135.11716	0.6
142.07779	1.1
143.08543	6.5
145.10127	4.6
147.08041	0.6
147.11723	1.1
149.05980	19.7
149.09538	0.7
155.08540	4.2
156.09351	0.8
157.10100	6.5
159.08037	2.0
159.11685	2.3
161.09601	2.6
167.08537	1.0
169.10083	4.6
171.08052	0.6
171.11687	4.6
173.09610	0.6
173.13292	0.6
178.08696	0.6
179.08533	0.8
180.10188	63.4
181.10094	4.0
183.11732	4.7
185.09486	1.5
185.13315	0.9
187.11250	0.7
192.09354	1.2
193.10147	2.1
195.11621	3.6
197.09575	0.8
197.13283	3.1
201.12863	0.6
206.10849	4.1
207.11671	6.9
208.12572	0.8
209.13223	4.1
211.14780	0.7
219.11754	0.9
220.12508	2.7
221.13246	7.4
222.11243	1.2
223.14711	0.6
225.12790	0.7
225.16521	0.6
233.13287	3.7
234.13976	1.9
235.14952	1.1
237.16382	3.1
239.14241	0.8
239.17978	0.7
248.15540	5.2
253.19501	2.2
263.17899	14.6
268.96896	0.5
281.18942	10.4
323.19974	3.6
341.21118	1.2
443.24283	0.6
502.29333	1.1
562.31976	0.8
580.32587	4.4
622.33704	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.07064	0.4
67.05509	0.8
69.07073	0.9
74.06079	8.5
79.05495	9.1
80.26580	0.4
81.07050	1.0
91.05476	3.0
92.80391	0.4
93.07035	2.9
95.04958	1.1
95.08595	3.3
105.07038	6.7
107.04950	100.0
107.08578	3.5
109.10164	2.1
116.31055	0.4
117.06990	0.7
119.08569	9.7
120.08105	13.9
121.10136	2.4
123.08041	0.6
126.43307	0.4
129.07022	0.7
131.04872	1.1
131.08527	4.1
133.10120	16.6
135.08032	0.7
142.07791	0.8
143.08571	5.9
145.10074	4.6
147.08051	1.9
147.11647	1.1
149.05968	16.8
149.09521	0.5
155.08595	3.7
156.09369	0.8
157.10112	6.4
159.08064	2.2
159.11702	2.5
161.09593	3.0
167.08531	1.1
169.10124	5.6
171.11649	3.9
173.09581	0.7
173.13249	0.6
175.11201	0.6
179.08591	2.0
180.10184	66.4
181.10063	3.3
183.11685	4.8
185.09535	0.6
185.13274	1.0
192.09363	2.9
193.08670	0.5
193.10109	4.0
194.10886	0.6
195.11674	3.3
197.09532	0.7
197.13225	2.9
199.11240	0.8
206.10884	3.9
207.11702	7.4
208.12505	1.7
209.13205	3.4
211.11177	0.9
211.14822	1.9
219.11716	2.0
220.12460	3.0
221.13257	6.6
222.11292	0.9
222.13959	0.9
223.14876	1.9
225.12785	0.9
233.13290	3.8
234.14058	2.6
235.14848	2.0
237.16409	2.3
247.14758	0.5
248.15596	3.3
253.19524	2.7
263.17938	15.2
263.20651	0.7
281.18936	9.7
299.20181	0.6
323.20093	4.1
341.21103	1.1
341.82416	0.5
383.22162	0.9
401.22742	0.6
443.24265	0.6
502.29504	3.1
555.25098	0.5
580.32538	3.9
622.33734	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14265	0.8
68.45132	0.9
74.06075	9.5
79.05494	10.5
81.07022	1.8
83.08626	1.1
89.88525	1.0
91.05492	2.4
92.18459	1.7
93.07053	2.3
95.08630	1.3
105.07027	8.3
107.04951	100.0
107.08605	2.0
109.10127	1.8
119.08586	7.5
120.08089	17.0
123.08049	1.0
129.21381	1.1
131.04941	1.4
131.08551	4.2
133.10114	16.7
138.53461	1.0
143.08549	6.8
145.10121	4.7
147.08031	1.2
149.05969	19.5
155.08510	1.5
157.10112	7.4
161.09615	4.4
169.10153	5.9
171.11673	4.4
180.10187	66.2
181.10086	2.1
183.11687	6.4
192.09439	1.4
193.10107	4.3
195.11678	2.0
197.09656	1.0
197.13316	2.4
206.10867	4.6
207.11708	8.9
209.13261	2.2
211.11232	1.3
219.11754	1.5
220.12383	2.0
221.13174	8.4
222.11249	1.6
225.12781	1.2
233.13260	4.8
234.13924	1.5
235.14677	1.4
237.16315	2.4
239.14235	1.1
248.15588	4.7
253.19629	1.4
263.17917	14.7
281.19104	7.5
323.20175	1.2
333.89316	1.1
341.21497	3.3
358.77643	1.0
443.24570	1.1
562.31714	1.1
568.71930	1.0
580.32617	3.7
618.59296	1.1
622.33691	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
69.07060	0.9
74.06083	8.0
79.05503	7.8
81.07066	0.8
82.57236	0.6
84.25087	0.6
87.37335	0.6
91.05476	2.9
93.07047	3.9
95.08590	2.8
105.07040	7.2
107.04958	100.0
107.08604	4.8
107.47760	0.6
109.06515	0.6
109.10149	3.4
112.99747	0.6
113.93733	0.6
116.64853	0.7
117.07107	0.7
119.08562	6.8
120.08094	15.5
121.10121	1.5
127.94214	0.8
129.07011	1.0
131.04942	2.7
131.08548	3.0
133.10133	14.7
135.08142	0.8
141.06964	0.7
142.07808	0.9
143.08539	7.1
145.10135	3.9
147.08069	1.0
147.11729	2.5
149.05984	20.8
155.08580	4.5
157.10112	8.2
159.08070	1.2
159.11702	2.5
161.09651	3.7
167.08583	1.2
169.10118	5.3
171.11696	4.0
173.09587	0.9
173.13269	1.2
178.08728	0.8
179.08580	1.3
180.10196	65.2
181.10213	2.3
183.11691	5.1
185.09560	0.8
192.09328	2.9
193.10127	4.8
195.11752	4.9
197.09647	1.2
197.13275	3.2
199.11299	1.0
206.10945	4.4
207.11740	6.7
208.12518	0.8
209.13254	4.0
211.11227	1.0
211.14832	2.8
219.11757	0.9
220.12488	1.1
221.13249	7.8
222.11340	1.0
222.13948	1.2
223.14793	1.3
233.13261	2.5
234.13986	2.6
237.16426	3.7
239.14236	1.2
248.15578	2.7
253.19516	1.3
263.17920	15.8
281.18988	8.3
291.21616	0.7
323.20001	2.7
341.21225	1.4
368.68826	0.8
502.29510	1.2
580.32495	4.9
606.38928	0.8
622.33746	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.9
60.04512	6.7
63.36056	4.8
71.68232	4.4
75.70936	4.0
83.04981	62.8
88.07601	5.1
89.73358	4.6
93.07029	7.3
96.83577	5.3
99.12453	4.7
105.07037	9.8
107.08543	7.4
117.50446	5.0
119.08567	11.9
135.08047	24.6
135.78606	4.7
139.91019	4.6
145.10094	6.7
149.09627	5.6
169.10191	5.8
186.48999	4.9
199.11359	5.3
204.21690	4.7
226.13515	5.4
241.15837	100.0
263.18091	6.5
281.18896	26.5
297.18347	11.2
333.88330	5.2
399.25403	7.6
622.35333	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05059	5.2
57.07075	11.0
76.96738	6.3
77.64730	6.5
93.07029	7.3
103.38136	6.2
105.07027	15.4
107.08588	8.3
119.08566	15.8
119.53016	8.2
133.06572	6.4
135.08041	13.6
145.10161	29.0
149.09619	38.9
161.09593	7.0
163.11130	11.3
173.09727	8.0
181.10144	9.6
192.74051	6.8
195.11787	7.2
223.14969	8.1
225.12794	11.8
226.13573	7.9
233.13464	7.4
239.14415	9.1
241.15808	100.0
263.17969	28.2
281.19116	45.3
323.20065	9.4
341.21109	32.5
366.14468	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	622.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25825	1.6
54.37489	1.5
67.05498	8.4
69.03386	1.6
79.05497	2.7
81.03405	2.1
81.07045	8.9
82.80934	1.6
91.05460	7.9
92.01621	1.5
93.07037	20.9
95.04950	11.9
95.08593	16.5
105.07021	11.0
107.08594	14.4
109.10162	10.8
115.07594	2.5
117.06956	4.2
119.08568	44.4
121.10143	9.9
131.08545	7.5
133.10120	100.0
135.08034	8.9
137.09636	2.4
143.08556	7.3
145.10120	52.4
146.08453	1.9
147.07959	1.8
147.11719	7.4
157.10165	10.5
159.11642	9.5
161.09622	10.5
163.11142	17.2
167.08574	2.3
169.10121	6.7
171.11728	12.2
173.13261	7.0
181.10094	10.2
183.11673	8.5
185.13306	8.5
194.10767	3.4
195.11716	11.5
197.13261	9.3
208.12515	2.6
209.13242	19.3
223.14813	17.0
223.42778	1.7
237.16269	2.4
250.17131	7.1
265.19467	58.3
283.20541	15.3
306.15161	1.9
325.21674	8.8
385.23669	21.2
492.04199	1.9
529.79279	2.0
622.36572	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	622.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92500	4.4
67.05502	6.6
69.99482	4.9
74.06068	6.8
79.05516	5.4
83.04955	7.1
91.05494	8.6
93.07043	33.9
95.08572	19.4
105.07017	11.4
106.77621	5.3
107.08594	10.0
109.10171	8.3
117.07018	7.9
119.08578	50.8
131.08562	7.5
133.10146	100.0
135.08000	5.9
143.08598	10.0
145.10150	67.2
147.11673	8.7
157.10089	10.5
159.11711	8.7
161.09581	10.6
163.11168	23.5
171.11713	10.7
173.13293	7.2
175.11635	4.6
181.10117	6.8
183.11655	5.6
185.13344	6.7
195.11731	9.1
197.13312	8.9
199.14697	5.9
209.13225	20.1
210.39825	5.1
223.14833	25.3
224.00189	4.7
265.19479	96.4
283.20688	11.4
286.57336	4.5
302.11780	5.4
325.21567	7.0
365.05014	5.5
385.23883	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92427	6.9
62.06102	8.2
67.05508	7.4
77.32817	8.0
79.05506	8.1
81.03443	24.4
81.07072	15.7
91.05461	6.9
93.07043	37.8
95.04953	31.0
95.08563	14.9
99.45126	8.3
105.07035	12.6
107.08605	40.1
119.08575	45.2
121.10170	8.9
123.11681	6.4
131.08568	11.5
133.10121	71.6
135.08067	65.6
143.08563	8.7
145.10147	69.8
155.08633	7.4
157.10074	13.5
159.11702	28.6
161.09642	100.0
171.11644	14.2
173.13271	8.9
183.11569	8.5
185.13261	10.1
195.11710	13.6
197.13231	9.2
199.14848	7.3
209.13232	16.1
217.75542	6.6
223.14812	16.6
240.93689	7.1
248.04181	8.1
263.36884	7.9
265.19528	95.9
283.20639	47.9
325.21628	48.2
343.22482	54.0
376.07047	7.9
385.23703	14.4
459.27521	68.1
516.25299	6.7
622.28723	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	622.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.3
67.05498	5.5
69.03434	5.1
77.45836	2.8
79.05487	5.2
81.03411	13.4
81.07063	5.5
91.05475	11.6
93.07037	28.7
95.04960	16.4
95.08632	4.5
105.07023	24.4
107.08587	17.8
109.10092	3.6
117.07050	4.4
119.08562	37.7
121.10165	11.4
131.08568	18.8
133.10123	100.0
135.08047	20.6
143.08539	22.6
145.10117	17.8
147.08035	3.8
147.11700	10.6
149.09589	6.3
155.08595	4.0
157.10136	16.9
159.11734	12.0
161.09596	42.7
163.11160	4.5
169.10165	12.9
171.11656	5.6
173.13281	19.5
175.11140	3.2
179.08594	5.7
183.11668	13.7
185.13217	4.0
192.09401	5.3
193.10104	16.4
195.11613	5.4
197.13280	12.9
199.14784	6.8
206.10855	5.8
207.11688	33.3
211.14894	6.1
216.61362	3.0
219.11763	3.1
220.12473	5.6
221.13293	31.1
223.14757	5.3
225.12680	4.5
233.13240	7.4
234.14043	3.5
235.14725	4.5
237.16409	4.3
239.14368	4.7
248.15622	17.2
253.19542	6.0
263.17947	66.9
281.18942	55.9
323.19940	22.4
341.21301	7.5
383.22171	26.8
443.23987	26.5
590.00702	3.3
603.84637	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	622.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	100.0
62.70051	0.8
96.18507	1.0
114.58726	1.0
145.10074	1.1
180.10191	1.0
190.44002	0.8
193.48210	1.0
622.34552	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	622.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02821	3.1
66.85928	2.8
81.03431	5.2
81.07043	6.2
85.92064	3.1
91.05468	7.2
93.07024	16.1
95.04931	5.7
95.08596	14.3
96.41032	2.9
105.07007	14.8
107.08591	8.2
109.10146	6.3
117.07028	7.8
119.08578	31.0
121.10143	3.2
123.07976	4.3
133.10121	100.0
135.08022	5.0
137.45020	3.6
143.08542	5.6
145.10133	58.5
147.11658	6.8
157.10126	8.1
157.99248	3.3
159.11656	7.0
161.09593	4.5
163.11197	17.3
167.08394	3.7
169.10060	5.4
171.11653	14.5
173.13261	3.6
181.10118	5.0
183.11761	5.0
194.10941	5.9
195.11702	13.5
197.13217	6.2
209.13235	24.4
217.85844	3.5
223.14806	16.5
265.19470	77.6
287.11594	3.8
383.44019	4.1
399.25330	20.3
622.39349	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
69.07064	12.8
69.74535	5.6
81.07063	13.9
83.08631	11.9
93.07013	14.3
95.04945	6.7
95.08592	24.5
105.07021	10.7
107.08606	24.4
109.10140	33.8
117.07020	10.0
119.08570	49.5
121.10112	7.6
130.48163	6.5
133.10118	100.0
135.08093	6.8
143.08577	7.7
145.10109	69.0
149.02899	5.9
159.11707	9.0
163.11163	11.3
169.10245	6.0
171.11725	12.5
173.13260	9.1
183.11739	11.1
187.13409	7.6
195.11719	15.0
209.13313	27.4
223.14845	10.1
262.68930	6.2
265.19531	94.8
283.01877	49.8
284.02402	9.9
340.29062	7.5
385.23715	10.9
622.30170	58.6
622.39355	97.2
628.13324	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	622.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	100.0
61.89764	2.8
73.06541	3.9
87.04462	4.5
89.06026	86.0
93.23015	3.3
103.07585	70.6
117.09114	4.8
133.08598	25.8
147.10144	14.3
177.11215	7.0
203.79146	3.6
309.61493	3.6
529.29785	3.6
548.36902	3.5
605.37262	27.6
622.40106	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69138	0.3
61.12666	0.4
73.69255	0.4
80.60200	0.5
107.04929	0.8
109.02876	0.6
114.27344	0.5
123.04403	5.4
125.02332	1.0
126.03181	0.6
135.04410	16.4
137.02347	1.9
137.05991	0.8
139.03894	3.2
141.05464	100.0
151.03908	0.7
153.05470	7.4
159.04350	1.6
161.05972	0.5
163.03889	21.6
165.05484	5.3
169.04788	0.5
177.05466	0.7
181.04997	3.9
187.03951	1.1
195.06433	0.7
197.05951	0.8
205.04968	7.4
217.04944	1.1
225.05606	0.6
243.06406	3.6
253.05046	0.7
257.08081	6.0
261.07532	18.6
263.10217	0.5
271.05945	4.0
272.06741	1.6
273.07587	1.9
277.18430	0.5
285.07571	11.2
287.03513	0.5
301.07156	0.6
303.08633	37.3
315.08627	4.5
322.14304	0.6
426.20325	2.3
446.57166	0.5
453.11777	2.8
455.13376	5.0
471.12967	2.9
605.25739	0.8
623.17346	1.7
623.26971	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	623.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07954	1.0
62.88132	1.1
63.12282	1.0
70.13451	1.3
77.61320	1.1
81.93006	1.1
86.20548	1.1
104.88702	1.2
107.04964	4.4
123.04420	7.7
124.40504	1.5
135.04416	17.1
137.02243	1.6
139.03899	6.6
141.05463	100.0
153.05496	5.7
163.03891	29.1
165.05475	9.2
177.05499	1.6
181.04944	7.9
197.05945	2.6
205.04967	9.7
217.05099	1.4
229.08656	1.5
243.06470	5.2
245.08014	1.6
248.52649	1.4
257.08054	7.4
259.05917	1.9
261.07520	10.4
271.06021	11.0
273.07587	1.5
285.07590	17.3
287.09195	5.8
301.07153	1.9
303.08612	46.4
315.08618	13.1
437.12286	1.6
439.10303	7.0
453.11832	2.5
455.13443	2.5
471.06592	1.4
471.12674	12.8
476.61771	1.7
483.12784	2.0
597.86969	1.6
623.17664	2.1
623.28046	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	623.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71651	1.1
67.52856	1.2
117.07710	1.2
181.76810	1.5
183.43855	1.2
193.09947	1.4
197.09584	2.5
209.05968	6.7
209.09618	1.7
211.11163	6.9
213.09074	5.1
221.09641	5.5
222.10207	1.5
223.11105	1.4
223.98320	1.3
225.09085	2.8
225.12686	1.4
227.07033	2.1
227.14354	2.1
229.04918	2.7
237.12726	2.0
238.09804	1.6
239.10718	10.4
254.12988	35.7
255.10149	21.7
255.13792	29.5
263.14325	1.7
266.12952	1.5
267.10135	2.6
267.13779	7.6
269.11749	21.5
269.14786	2.1
279.13861	1.5
281.15567	1.7
283.13351	1.8
285.11356	2.6
285.14697	1.3
297.14822	56.9
298.11972	7.1
299.16501	8.9
309.14935	7.8
326.15228	7.9
327.15887	100.0
330.07938	1.4
452.61166	1.4
545.88922	1.4
558.74237	1.4
623.29980	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06321	1.0
57.45485	1.1
82.37636	1.3
84.29475	1.1
96.08121	2.2
107.04972	4.3
114.09155	5.6
114.48508	1.1
119.04948	6.2
123.04431	1.0
124.07594	16.7
138.09138	42.0
138.10202	1.8
141.05498	2.1
147.04390	2.4
153.05511	5.3
163.03838	1.4
164.10759	1.7
165.05452	2.4
166.08652	2.1
181.04927	2.0
201.10240	5.9
209.16479	1.3
219.11307	4.6
236.62311	1.2
244.08473	4.8
245.09265	31.0
271.10706	15.2
273.12347	10.3
285.07611	1.9
285.12485	1.6
287.09192	5.4
287.14117	1.3
289.11972	5.0
291.13397	8.6
297.08704	1.4
299.10406	6.7
303.08615	1.2
303.13074	1.0
303.70706	1.3
315.09714	26.6
317.11285	24.6
326.86603	1.1
384.19284	6.7
392.19644	5.7
408.19073	1.7
410.20712	12.8
418.17807	5.2
428.21805	10.0
436.18661	42.7
454.19693	51.8
456.21085	2.6
484.07782	1.2
575.28638	12.2
593.29669	100.0
622.97058	4.1
623.30756	75.8
623.47260	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.5
55.74442	2.0
57.03439	2.4
61.02932	18.9
67.05500	25.3
69.03429	3.7
69.07072	5.1
73.02913	4.1
78.24679	1.8
79.05487	15.2
81.07056	30.2
83.08611	13.3
85.02914	15.2
90.78156	2.2
91.03947	5.4
91.05468	24.1
93.07057	20.6
95.08591	14.8
97.02869	13.6
99.04465	2.2
99.27387	2.3
105.07039	20.4
105.64706	2.5
107.04956	13.1
107.08580	15.0
109.06541	2.3
109.10149	4.8
115.05435	2.3
117.07005	16.3
119.08557	15.1
121.06490	2.2
121.10130	11.0
125.09637	2.8
129.06998	26.0
131.08534	31.4
133.06467	2.8
133.10139	15.8
133.36861	2.2
135.07985	3.3
135.11725	3.2
141.06964	11.6
143.08554	21.3
145.06441	2.8
145.10094	16.7
147.08119	4.0
147.11673	8.4
155.08543	13.9
157.10130	12.0
159.08064	3.1
159.11676	10.9
161.09566	3.0
163.11165	3.3
167.08585	8.8
169.10123	16.9
171.08055	4.5
171.11662	9.4
175.11130	3.5
179.08646	2.5
181.10191	13.3
183.11676	12.2
185.13240	5.2
187.14818	3.1
189.24406	2.2
193.10059	8.1
195.11667	8.8
197.13269	4.6
199.14847	3.5
202.07544	2.2
207.11748	3.5
209.13239	4.3
211.14706	2.9
215.14252	4.0
221.13274	10.6
223.14781	5.2
234.30603	2.3
239.14272	3.2
253.15834	2.4
323.23611	3.2
333.22226	5.4
341.24768	4.3
351.23257	18.7
369.24219	10.0
387.25735	2.7
425.26840	9.3
435.59006	2.4
443.27835	94.5
461.28976	100.0
482.99268	2.4
499.92163	2.1
623.34198	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	623.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52422	0.9
60.13430	1.1
66.57723	1.1
67.05511	1.2
69.03437	1.4
69.07068	1.1
79.05492	4.1
81.03423	1.6
81.07069	10.5
85.58721	1.0
91.05473	6.9
93.07027	5.6
95.04939	1.2
95.08598	8.5
105.07055	9.4
107.08598	20.9
109.06496	1.8
109.10152	6.0
115.67714	1.2
117.07023	2.7
119.04945	5.7
119.08601	7.4
121.10179	4.5
123.11652	2.3
125.81916	1.2
131.08568	2.0
131.59299	1.2
133.06493	6.3
133.10118	7.2
135.08057	100.0
135.11649	1.3
137.06010	1.1
141.05482	2.0
143.08575	1.3
145.06425	9.8
145.10068	4.1
147.08008	1.9
147.11693	2.3
159.08141	1.3
159.11710	1.9
161.09624	7.9
163.11177	9.9
171.11812	1.5
173.13280	2.0
179.10666	1.4
181.10303	1.4
187.11295	1.5
201.12712	2.4
215.14378	1.5
255.21059	1.6
265.19348	1.6
283.20538	24.6
285.22214	2.0
289.11810	2.0
301.21542	2.5
428.21860	8.1
438.43332	1.1
592.55786	1.2
593.29797	1.5
623.28400	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	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25643	0.9
52.08308	0.9
55.96287	0.8
61.89108	0.9
64.92985	1.0
67.05498	1.3
69.07068	1.8
79.05492	5.7
81.07065	11.4
91.05466	5.9
93.07023	6.3
95.08575	7.1
99.38879	1.1
105.07016	8.1
106.57268	1.1
107.04945	1.2
107.08592	24.3
109.06531	1.3
109.10133	2.4
113.28742	1.0
117.07018	5.1
119.04916	4.8
119.08584	5.2
121.10112	4.6
123.11697	1.8
131.08563	2.1
133.06493	6.4
133.10130	10.8
135.08052	100.0
135.11650	1.6
136.35269	1.2
137.05975	1.4
141.05400	1.4
145.06445	7.9
145.10094	5.0
146.29936	1.6
147.07993	1.3
147.11658	1.5
161.09622	8.0
163.11227	9.0
187.73462	1.2
195.55240	1.1
201.12845	1.2
203.86652	1.1
241.15852	1.8
265.19537	4.5
283.20541	27.5
285.22400	1.4
301.21719	2.6
428.21921	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	624.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91074	2.9
73.09347	3.3
83.05003	5.0
89.94563	3.5
91.05473	3.4
93.07047	4.8
93.95805	3.7
95.04957	16.0
105.03389	100.0
105.04466	5.4
105.07001	3.9
107.04942	7.1
107.08611	5.4
119.08566	6.8
121.06486	19.4
123.08121	4.0
133.06509	4.8
133.10109	5.3
135.08031	5.4
143.08543	6.7
145.06471	4.4
145.10130	5.3
147.08057	13.3
149.09692	7.0
155.08522	12.2
157.10133	5.9
159.08058	20.1
161.09616	25.5
163.11142	4.4
164.14789	4.3
165.06793	3.4
167.07040	5.4
167.08461	3.7
169.10077	14.8
171.08073	5.8
171.11697	4.7
173.09601	17.8
177.09045	6.0
179.08516	3.3
181.10107	15.9
183.08084	3.4
183.11658	16.0
185.09561	8.4
185.13165	4.8
187.11136	6.8
189.09073	5.0
193.10158	11.5
195.11685	17.1
197.09621	14.0
197.13113	22.9
199.11188	29.3
199.98903	3.2
207.11760	24.2
209.09595	15.2
209.13251	4.8
210.10410	4.3
211.11124	31.3
213.09096	5.3
213.12770	20.4
223.11174	26.0
223.14711	10.7
225.12738	46.7
227.10626	14.5
227.14185	5.6
232.12582	6.7
233.13402	5.7
235.11188	6.1
236.12048	7.3
237.12680	7.2
237.16283	3.8
239.14287	20.2
241.12224	21.6
241.15817	5.5
243.13791	4.9
247.14777	12.8
248.12335	3.3
251.14291	20.9
253.12184	20.3
253.15837	6.3
263.10568	3.6
263.14334	13.9
265.15921	32.7
269.15314	4.4
271.13043	9.6
275.14230	5.3
281.15378	19.0
283.16873	16.3
285.14734	3.9
289.14432	6.6
293.15359	29.4
299.16531	4.4
307.30725	3.5
311.16345	48.3
329.17438	53.4
347.18573	7.7
349.16525	87.4
367.14429	4.4
369.12625	25.7
371.18521	6.2
389.19589	59.9
449.21643	30.1
511.23291	18.6
571.25055	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	624.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33192	6.2
76.94187	6.4
81.07069	8.5
81.75058	6.4
93.07055	7.2
95.04982	11.5
95.08510	7.3
105.03384	100.0
105.07020	25.0
121.06449	8.6
121.10099	7.3
123.08065	24.1
124.46488	5.8
126.22820	6.9
141.05434	8.7
143.08517	8.9
145.10112	12.4
155.08566	10.3
157.10095	13.9
159.07979	26.3
161.09650	25.6
169.10191	8.4
171.08130	9.1
171.11703	10.3
173.09618	11.7
173.13182	6.7
181.10178	9.7
183.11797	12.1
185.09659	7.1
185.13123	7.4
195.11716	8.9
197.09619	8.9
197.13371	24.6
199.11183	24.8
207.11716	7.9
211.11192	28.7
215.14323	9.6
225.12767	60.4
227.10866	8.2
235.11171	7.2
237.16441	9.4
239.14204	9.7
241.12282	9.9
249.12854	7.7
253.12143	11.1
262.57330	7.1
265.15775	12.0
267.13736	7.9
271.13373	8.4
283.16998	8.0
293.15381	29.2
311.16443	26.1
329.17508	26.9
331.15515	10.0
347.18460	24.8
349.16370	71.6
371.18777	11.9
389.19577	68.9
407.20670	15.9
571.25378	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05510	0.7
57.03438	0.5
67.05502	1.0
68.08807	0.5
69.03404	1.6
69.07062	0.9
79.05497	3.3
81.07042	1.0
83.04987	0.5
91.05476	10.0
93.07073	3.2
95.04968	1.8
95.08597	2.7
97.06542	0.4
103.05422	0.4
105.07031	4.0
107.04959	4.9
107.08581	4.2
109.06496	0.9
109.10149	0.6
111.04435	2.1
117.07022	0.8
119.04933	50.4
119.08583	3.4
121.06504	2.3
121.10122	2.6
123.08108	2.8
123.11674	0.4
128.06244	0.5
129.06953	0.5
131.08531	2.3
133.06487	4.6
133.10115	2.7
134.09650	100.0
135.04405	0.8
135.08041	2.8
135.11729	0.6
137.09637	2.4
141.07060	0.5
143.08522	2.8
145.06451	0.5
145.10112	2.1
147.04402	89.3
147.08028	1.8
147.11684	1.0
148.11177	1.0
149.09599	2.5
151.11147	1.0
155.08562	0.8
157.10118	1.8
159.08061	1.6
159.11699	2.2
161.09604	2.5
161.13258	0.6
164.10753	0.7
165.05437	3.1
167.08591	0.7
169.10109	1.9
171.11671	2.3
173.09593	2.1
173.13274	0.7
175.11171	0.8
177.09047	0.6
177.12767	0.5
179.10764	0.5
181.10208	0.9
183.11685	2.5
185.09651	0.6
187.11182	0.9
189.05443	7.8
189.09114	1.8
189.12698	0.9
193.10178	0.5
195.11803	0.8
197.09550	0.8
197.13246	1.7
199.11203	0.5
200.11855	0.5
201.12668	0.5
207.06543	3.2
209.13167	0.4
210.11246	2.4
211.11064	0.9
211.14810	0.9
213.12764	0.7
215.10782	0.5
215.14256	0.5
217.12283	0.4
220.12364	0.5
221.13310	0.5
223.11226	0.4
225.12729	0.8
239.18083	0.5
252.12288	32.1
253.16035	0.6
266.92450	0.5
267.17358	0.7
295.16760	0.5
313.17969	3.4
364.98270	0.5
505.96481	0.5
564.29517	0.8
624.31647	89.3
634.25409	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	624.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
75.69258	1.1
79.05492	2.3
81.07027	1.7
91.04903	2.2
91.05476	66.1
105.07040	19.0
107.08614	1.6
117.93562	1.1
119.04951	13.5
119.08575	6.6
121.10148	4.7
129.07040	1.3
131.08577	1.6
133.10126	1.9
134.09669	19.4
140.84712	1.1
145.10104	2.6
149.05975	1.2
154.03659	1.2
157.10097	5.2
161.09528	1.4
163.11066	1.3
169.10110	8.4
179.08585	1.4
181.10139	1.4
183.11687	7.1
185.09720	2.1
192.09328	1.6
193.10092	4.5
196.12454	1.1
197.13327	2.0
207.11694	7.6
209.13261	1.5
210.11253	100.0
211.11221	5.6
211.14842	5.7
224.15410	1.5
225.12657	1.2
234.14009	1.5
239.17928	10.4
249.16348	15.2
257.18970	1.4
267.17416	28.8
269.03632	1.2
285.18542	2.2
295.16956	4.9
315.03845	1.4
355.19278	1.9
428.53217	1.3
624.31860	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	624.317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75984	4.9
68.64238	4.1
85.57526	4.5
93.07058	5.2
95.05006	5.0
95.08595	9.7
101.03353	4.9
103.05465	20.7
105.07040	24.4
107.08642	7.0
117.07005	7.1
119.08566	10.1
121.10147	9.4
123.08033	8.5
124.32521	5.5
131.04924	61.8
131.08517	6.6
133.10152	18.5
133.64928	4.7
143.08604	9.5
157.10092	8.0
158.25847	4.6
162.22473	4.9
171.11674	6.2
173.09518	7.5
181.10126	8.4
183.11659	8.8
195.11707	25.4
209.13251	20.8
235.14891	5.1
241.19669	6.3
251.17863	11.9
253.15762	6.2
269.18948	24.1
271.16925	100.0
279.17453	34.8
287.16376	5.3
287.19595	5.1
295.24863	5.1
297.18408	50.9
298.77368	4.4
315.19730	6.5
332.10809	5.1
339.19559	25.7
357.20575	44.4
554.90448	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	624.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72689	0.4
67.41923	0.4
68.04296	0.4
69.07045	0.4
72.04506	0.5
79.05481	0.5
81.07041	0.8
91.05465	5.6
95.08569	0.6
105.07019	2.5
107.04957	2.4
107.08585	3.4
117.07026	0.6
119.04925	1.0
119.08540	2.2
121.10156	3.3
131.08588	0.7
133.10121	1.1
134.09648	100.0
145.10120	0.8
147.08038	0.7
147.11682	0.6
149.05940	0.7
150.55409	0.4
155.08684	0.5
157.10083	1.0
159.08202	0.5
159.11644	1.0
163.07532	0.9
164.10793	0.6
168.09317	0.5
169.10089	1.7
171.11685	1.0
180.10153	1.7
181.10176	0.6
183.11678	15.4
197.13292	3.0
201.12857	0.5
209.13271	1.0
210.11243	2.3
211.11189	1.0
211.14818	2.8
239.17896	4.5
249.16434	0.5
251.14011	0.5
252.14996	0.6
257.19009	1.9
258.28378	0.5
267.17493	2.3
277.69354	0.5
285.18549	0.5
295.16925	1.0
298.40637	0.4
313.18033	1.1
373.20105	1.1
377.93613	0.5
415.21307	4.0
624.31567	16.8
644.99146	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	624.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38613	1.1
63.49026	1.2
79.05513	12.3
80.24003	1.1
81.07051	2.1
81.36775	1.7
91.05470	3.0
93.07031	1.8
95.05027	1.4
95.08611	4.8
105.07023	6.3
107.04958	100.0
107.08576	5.9
109.10207	1.5
110.37652	1.2
112.76675	1.2
117.07038	2.3
119.08578	11.8
121.06473	1.2
121.10160	1.6
123.08070	1.8
129.07065	1.7
130.24060	1.3
131.04955	17.4
131.08543	2.6
133.10085	3.1
135.08073	1.9
143.08487	2.0
145.10115	7.6
147.08054	2.3
149.05968	31.5
155.08560	6.0
157.10152	6.7
159.11717	1.9
161.09569	1.8
166.08621	39.8
169.10126	9.4
171.11713	9.7
179.08574	5.0
181.10028	4.8
183.11676	8.8
185.09653	2.0
187.11241	2.0
193.10039	2.4
195.11658	13.6
197.13268	5.9
206.10902	2.4
207.11584	2.6
209.13240	5.8
211.14861	5.6
221.13159	10.4
223.11232	1.7
223.14743	2.5
237.12776	2.2
239.14206	9.4
251.17961	2.6
261.16168	1.6
269.18933	5.5
279.17352	20.4
297.18478	20.4
299.16467	5.9
357.20468	9.9
417.22705	6.2
440.48758	1.4
459.23770	17.6
564.29388	7.4
624.31555	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	624.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81391	1.4
62.11141	1.6
67.05518	2.2
69.03428	1.7
79.05485	7.4
81.07059	4.2
82.40816	1.5
91.05479	14.7
93.07019	3.4
95.04967	2.0
95.08618	2.2
105.07030	8.0
107.04961	100.0
107.05685	3.9
107.08602	4.2
109.06512	2.2
119.08556	16.8
121.10136	2.1
123.08129	2.5
131.04912	15.5
131.08557	3.8
133.10068	5.4
143.08563	3.5
145.10126	7.3
147.08095	3.1
149.05992	34.0
155.08543	4.0
157.10124	11.8
159.08058	2.7
159.11703	7.4
166.08633	43.1
169.10089	9.6
171.11687	11.5
181.10106	3.1
183.11589	6.8
185.09691	2.2
193.10135	3.5
195.11694	17.1
197.09789	2.2
197.13232	4.0
206.10919	4.0
207.11621	2.9
209.09570	2.3
209.13213	9.1
211.14847	7.5
221.13303	11.4
223.11107	2.3
223.14900	2.3
236.15543	2.1
237.16495	2.2
239.14287	8.6
251.17831	4.2
261.16428	2.4
269.19162	1.8
279.17456	23.2
297.18359	17.5
299.16516	8.2
357.20502	10.2
417.22647	6.0
459.23749	16.9
564.29364	6.8
624.31445	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	624.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02404	0.9
60.51538	0.9
71.34465	1.0
74.06065	2.3
79.05508	9.2
80.80047	1.2
81.07048	1.9
91.05485	2.4
93.07018	4.9
93.82476	1.0
93.99908	1.0
95.08559	1.3
105.07024	7.0
107.04952	100.0
107.08546	1.1
119.08626	1.5
120.08100	16.5
121.10175	2.1
128.28273	1.2
131.08566	2.0
132.87813	1.1
133.10153	1.9
134.09644	7.9
143.08505	1.4
145.10114	2.1
147.53113	1.1
149.05971	17.7
155.08585	1.8
157.10094	1.6
171.11639	1.5
178.08672	1.5
180.08601	2.7
180.10188	78.2
181.10059	1.2
194.11787	11.6
195.11687	1.4
197.13220	1.8
205.01059	1.2
209.13293	1.8
223.14790	1.3
244.47395	1.3
265.19547	2.4
280.00775	1.2
283.20407	1.4
288.74719	1.1
320.39212	1.2
407.60580	1.2
444.28345	4.8
462.29474	4.9
542.39197	1.1
564.33020	19.4
624.35297	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	624.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05093	0.7
67.82260	0.8
74.06057	5.7
79.05490	7.8
84.36729	0.8
91.52624	0.8
93.07024	1.0
95.08601	0.9
95.55747	0.8
97.03017	1.2
100.35863	0.9
105.07012	3.6
106.13027	0.8
107.04953	100.0
109.10188	0.9
113.32694	1.1
119.08616	1.4
120.08096	18.3
133.10144	1.8
143.08519	1.2
145.10118	1.6
149.05972	20.3
155.08478	1.0
157.10121	2.0
165.94051	1.0
169.09999	1.0
171.11713	1.8
180.10188	94.7
181.10181	1.6
185.13324	1.2
195.11717	2.0
197.13199	1.2
208.76700	1.0
209.13286	1.7
223.14784	2.0
238.60338	1.0
265.19437	6.2
283.20529	2.0
325.21869	1.1
444.29025	1.1
564.33246	20.0
624.35840	6.4
624.44208	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	624.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49149	0.7
65.83845	0.7
68.10794	0.7
74.06071	5.1
79.05506	8.1
95.08626	0.8
98.67091	0.9
105.07005	4.3
107.04959	99.7
107.08608	1.8
113.65359	1.1
119.08574	1.8
120.08115	19.4
121.10062	1.1
133.10164	4.1
144.50230	0.9
145.10138	1.2
149.05978	20.0
157.10103	2.0
171.11537	1.1
178.08656	1.5
180.10196	100.0
181.10117	2.1
194.10954	1.0
195.11642	1.3
197.13229	1.6
209.13298	1.4
222.11264	1.1
234.12556	1.0
265.19574	5.0
283.20526	1.9
440.93341	1.0
444.28766	1.2
522.31958	3.4
554.26111	1.0
564.33234	24.8
624.35486	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	624.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18072	1.4
74.06081	2.9
76.14368	1.3
78.67381	1.3
79.05479	8.4
105.07043	2.8
107.04948	100.0
107.08624	1.7
119.08576	1.7
120.08099	14.3
121.10152	1.4
130.75639	1.4
131.04921	1.4
145.10262	1.5
149.05962	18.7
180.10184	91.8
195.11607	1.8
217.46658	1.4
223.14793	2.6
265.19519	6.2
296.60083	1.2
564.33136	24.4
619.09326	1.5
624.35089	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	624.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85901	0.8
55.89778	1.0
56.24706	0.9
57.47863	0.9
74.06075	2.4
79.05508	9.0
79.43633	1.0
93.07039	1.3
95.08589	1.5
97.36147	1.0
105.07016	5.2
106.62369	1.0
107.04955	100.0
117.06972	1.6
119.08541	1.9
120.08106	23.2
121.10098	1.3
128.01245	1.2
133.10144	1.3
143.08553	1.4
145.10118	1.7
149.05963	26.1
150.70093	1.2
157.10185	1.0
159.11673	1.3
171.11531	1.3
178.08575	1.4
180.10181	93.4
195.11647	1.5
209.13268	4.2
223.14777	1.9
265.19537	6.9
283.20493	2.0
325.21384	1.3
381.31744	1.1
462.29675	1.4
491.15701	1.3
516.08606	1.3
522.32135	4.1
564.33252	21.4
587.70056	1.2
599.07996	1.1
624.35846	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	624.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.0
68.52990	4.4
81.03416	10.7
81.07063	10.5
83.04977	77.3
85.07638	4.8
91.05447	6.4
93.07040	32.5
95.04977	11.4
95.08597	8.7
96.88750	4.6
97.32580	4.9
101.06025	5.5
103.08716	7.3
104.55557	4.9
105.07029	11.5
107.04967	7.8
107.08592	18.8
109.06490	5.9
109.10172	7.6
119.08564	40.4
121.10136	20.7
131.08545	6.0
133.10101	35.2
135.08031	58.8
135.11685	7.5
137.09619	5.9
145.10103	23.3
147.11600	6.7
149.09590	9.8
161.09595	43.1
163.11165	19.2
169.10101	7.2
223.14885	10.2
241.15872	100.0
253.19368	8.2
263.17938	9.5
265.19446	11.4
281.18985	30.9
283.20505	33.4
299.19971	17.9
301.21500	6.4
317.20816	7.1
323.20047	9.5
343.22754	23.3
459.27240	6.4
461.28925	22.6
624.37579	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20713	2.6
56.28173	3.1
58.86459	2.5
62.06085	6.5
67.05497	6.0
69.03432	11.8
69.07042	2.6
79.05453	8.5
81.03421	35.2
81.07049	16.5
91.05459	6.5
93.07032	42.8
95.04972	19.6
95.08594	20.2
95.38909	2.8
99.76501	3.2
105.07051	23.3
107.08595	36.4
109.06520	3.8
109.10149	14.2
117.07018	3.5
117.75504	2.9
119.04975	3.3
119.08572	34.9
121.10159	18.2
123.11697	4.0
126.14868	3.0
126.53789	2.9
131.08572	11.9
133.06468	4.0
133.10133	71.1
135.08055	80.2
135.11703	5.4
143.08588	6.1
145.06503	5.7
145.10167	38.3
145.75720	2.8
147.08035	4.1
147.11649	5.4
157.10147	12.6
159.11659	16.8
161.09616	100.0
161.13371	3.8
163.11191	22.9
171.11694	13.1
173.09636	4.2
173.13354	5.5
175.11166	4.6
183.11658	6.6
189.12677	4.2
195.11708	7.1
201.12714	5.1
209.13274	15.7
223.14859	18.0
225.12964	3.0
227.14252	4.9
235.14859	3.2
241.15845	6.9
241.46785	3.8
265.19525	42.1
283.20508	63.5
325.21655	4.2
343.22601	55.0
385.23770	20.4
503.30136	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	624.3742
Annotation	apicidin
Peak:m/z	Relative Intensity
60.75806	4.1
67.05499	5.3
80.81188	4.7
81.07050	5.7
87.31110	4.6
91.05441	5.0
92.18497	5.4
93.07040	9.4
95.04929	5.4
95.08643	7.1
105.07028	8.6
107.08579	18.2
109.10119	6.4
110.60460	5.0
119.08547	41.0
133.10132	100.0
143.08537	5.9
145.10115	45.7
147.11732	9.9
157.10127	18.7
159.11676	9.4
163.11174	11.2
171.11630	5.3
183.11646	6.6
195.11624	9.1
197.13400	6.1
209.13222	19.6
223.14735	7.4
265.19495	57.7
288.18121	4.6
363.65475	5.9
385.23853	29.4
617.40265	6.0
624.37408	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41539	3.4
60.80794	3.8
62.74711	4.0
67.45361	4.7
80.49701	3.7
81.07021	4.1
91.05453	4.3
93.07021	5.6
105.07049	7.5
107.08595	8.2
109.94961	4.7
121.10149	6.3
133.10117	34.0
135.08005	8.8
143.08493	5.1
145.10185	5.2
157.10150	8.4
161.09573	17.6
169.10103	6.0
171.11700	6.2
263.17871	7.0
281.18985	22.5
283.59210	4.4
360.22568	4.7
401.23349	5.8
527.30603	4.6
624.37494	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	624.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00997	5.6
50.50159	5.4
51.16497	5.9
57.80568	5.4
62.06091	22.3
69.03413	10.7
73.81479	6.4
81.03421	35.2
81.07057	11.8
91.05507	11.6
93.07043	46.0
95.04967	11.9
95.08596	24.4
102.93996	5.8
105.07025	10.9
107.04962	9.6
107.08586	24.0
108.73640	6.0
109.10144	10.3
119.04883	8.9
119.08543	15.4
121.10172	6.9
123.11600	6.2
133.10135	55.5
135.08051	79.5
135.11702	8.2
143.08575	10.2
145.10132	36.8
147.11731	6.9
157.10143	9.5
159.11760	8.8
161.09608	100.0
161.47890	6.7
163.11182	25.1
171.11661	9.5
173.13190	7.5
175.14920	6.7
180.10091	9.2
194.10852	6.7
197.13237	8.0
209.13290	12.2
222.14185	6.9
223.14845	13.9
265.19614	53.8
283.20551	65.7
316.26913	7.5
343.22647	64.2
385.23718	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	624.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55766	4.8
65.72820	5.2
67.05511	5.2
79.05466	8.1
81.07045	4.7
87.82407	5.1
91.05441	6.3
92.18436	9.1
93.07020	11.3
95.04958	21.4
95.08603	10.1
105.07021	26.8
106.63428	5.2
107.04964	21.3
107.08577	23.7
109.10143	23.4
117.07020	9.2
119.04934	6.3
119.08572	100.0
121.10139	5.6
131.08522	7.2
133.10121	58.4
135.08046	45.4
137.09608	22.6
143.08533	19.0
145.10144	36.6
147.11656	6.4
155.08527	10.7
157.10063	9.4
158.63683	4.3
159.11696	19.8
163.11194	18.0
169.10056	23.2
171.11720	7.5
180.10178	23.8
181.10078	10.3
183.11644	10.6
195.11722	18.9
197.13205	7.9
207.11633	6.5
208.12465	9.0
209.13263	10.4
223.14839	32.9
225.24089	4.9
237.16537	5.8
241.15956	4.9
251.17920	21.8
253.19495	9.8
263.17831	7.1
269.19058	7.2
281.19153	37.5
281.22079	5.5
283.20587	7.3
299.20016	27.9
324.86371	4.8
350.46082	5.5
401.24054	6.2
536.97870	5.1
564.34680	9.4
624.37274	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.04875	0.3
57.03423	0.8
66.26585	0.3
67.13750	0.2
69.03426	0.4
71.04623	0.3
71.04992	7.3
81.03422	0.4
85.02904	10.8
97.02910	0.7
127.03931	0.6
127.39535	0.3
129.05453	1.9
147.06448	0.3
153.01782	0.4
175.35124	0.3
203.17828	0.3
285.03931	2.0
302.04239	4.8
312.88986	0.4
317.06540	100.0
479.11758	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	625.1763
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.43853	0.3
57.03423	1.7
71.04639	0.3
71.04997	7.1
72.05740	0.3
85.02904	10.5
86.35341	0.3
92.17922	0.4
97.02849	0.7
104.08161	0.3
129.05460	0.7
201.08192	0.3
261.61298	0.3
317.06531	100.0
363.96649	0.3
373.00031	0.4
477.56897	0.3
479.11765	3.4
640.48987	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	625.287
Annotation	Unknow
Peak:m/z	Relative Intensity
76.44614	0.8
96.19891	0.9
104.11372	0.7
104.39642	0.7
110.09680	4.1
119.46559	0.9
122.06029	0.7
124.07629	5.7
126.51221	0.8
138.09148	10.2
140.07088	1.2
148.07602	1.0
154.08627	6.3
155.51321	0.9
164.07184	1.6
166.08638	28.0
166.10002	1.1
177.06680	1.9
180.10239	1.1
183.11319	3.0
193.09766	1.7
208.09703	1.0
218.08162	4.8
235.10852	1.4
244.09683	1.4
245.09399	3.5
245.52219	0.9
248.09251	1.1
257.12909	4.1
258.11243	10.1
259.14447	7.1
261.08804	4.2
261.12335	1.0
263.10349	4.8
272.09335	0.8
275.14047	4.0
285.12540	1.5
287.10397	4.6
289.12097	1.8
301.11755	8.4
302.15112	1.4
305.11374	4.9
312.13324	0.9
313.12021	1.7
317.15063	1.5
330.14600	4.6
341.14560	0.9
351.17044	1.6
369.18362	1.6
379.16565	6.0
380.19971	1.1
382.21335	12.7
387.70758	1.0
397.17572	17.6
400.18964	1.0
407.16223	4.0
408.19278	4.0
424.18939	3.9
425.17038	14.8
426.20261	6.1
442.19888	5.9
450.16858	1.5
456.21524	1.5
468.17850	6.5
589.27325	1.4
607.27686	17.1
625.28717	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	625.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45396	0.7
51.75304	0.7
59.10699	0.8
60.28532	1.0
73.45458	0.9
73.95220	0.9
83.76067	0.8
84.57716	0.9
92.71108	0.9
93.07062	1.0
108.51220	0.9
110.09641	7.4
124.07536	6.8
130.41698	0.9
138.09135	9.7
154.08662	7.8
164.07019	5.4
164.08235	1.2
166.08617	36.7
173.14059	1.1
177.06625	2.1
180.10181	1.6
183.11345	4.1
186.69775	1.0
193.09740	1.4
193.13474	0.9
215.89674	1.0
218.08241	1.4
228.06517	1.1
230.07976	1.1
235.10866	1.4
244.09634	1.5
245.09013	1.4
248.09280	1.2
257.12723	3.3
258.11295	4.8
261.08725	3.7
263.10303	6.8
272.09274	1.2
275.13922	4.6
285.12289	2.1
287.10275	3.6
301.11765	10.7
301.18005	1.1
302.15088	1.6
305.11356	5.2
307.12793	1.8
313.11847	1.3
315.13272	1.2
330.14496	6.3
351.17517	1.2
369.17911	1.4
379.16537	4.7
382.16876	1.5
396.19266	1.3
397.17410	11.9
407.16068	1.3
410.14825	1.2
424.18549	4.6
425.16864	7.0
440.21814	1.5
442.19727	4.7
468.17667	5.1
470.18625	1.3
472.20065	1.1
546.93463	1.0
607.27612	14.2
625.28540	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32832	10.3
53.46475	9.6
65.68820	11.1
67.05481	18.1
69.07054	11.0
72.58759	12.4
79.05494	20.0
81.07054	49.1
91.05490	14.6
92.17819	25.4
95.08588	14.5
105.07015	19.4
107.08568	13.5
117.07014	21.2
119.08572	19.7
124.43355	11.6
129.07008	12.8
131.08533	18.1
133.10094	15.1
143.08606	11.5
145.10135	44.9
196.84575	12.5
211.11162	16.0
223.14803	18.0
237.09204	12.2
239.10730	21.4
255.10316	18.6
297.15256	14.7
299.16403	25.7
381.88293	11.8
436.18167	11.7
445.29517	100.0
463.30499	87.4
538.42517	12.6
607.30176	14.9
625.31415	59.9
625.44568	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	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
65.55074	1.5
67.05510	14.2
69.07052	7.4
72.74500	1.5
77.65733	1.3
79.05497	7.9
81.07063	17.7
83.08604	6.3
84.60830	1.3
91.05450	13.1
93.07043	14.3
95.04932	1.6
95.08607	12.0
105.07036	19.0
107.08581	10.5
109.10182	5.6
117.06989	11.8
119.08575	16.8
121.06491	2.8
121.10133	10.1
129.06984	8.6
131.08588	18.7
133.10120	14.0
135.08051	2.3
135.11626	1.9
141.06950	2.1
143.08572	9.5
145.10162	11.6
147.08025	3.5
147.11737	3.0
155.08551	3.1
157.10109	7.0
159.11736	6.1
167.30008	1.6
169.10069	3.5
171.11668	6.0
173.13203	3.0
181.10149	2.7
183.11700	3.0
185.13345	2.8
197.13210	3.2
199.14806	2.2
261.18375	1.9
325.25262	2.2
343.26257	3.3
353.24805	8.8
371.25723	7.6
389.26837	3.6
445.29474	100.0
463.30405	28.6
600.04254	2.0
625.25903	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	626.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94538	1.1
67.05499	2.5
67.96632	1.1
69.07071	1.6
79.05482	1.7
81.07066	1.7
91.05479	88.1
92.18548	2.4
93.07010	4.3
95.04964	2.9
95.08598	17.2
103.05453	2.8
105.07010	8.9
107.08585	6.5
109.10210	1.2
119.04931	19.1
119.08598	11.2
121.06527	1.5
121.10136	2.0
123.08059	12.4
131.08530	3.0
133.10114	5.6
134.09636	20.3
135.08055	1.6
135.11714	5.8
143.08568	4.5
145.10129	7.0
147.08084	2.3
153.57921	1.2
155.08543	2.2
157.10135	5.4
163.11130	1.8
169.10153	1.6
171.11678	1.6
179.08502	2.0
181.10126	1.7
183.11739	1.8
185.13266	1.4
195.11719	6.2
209.13290	2.5
210.11240	72.3
251.18021	2.6
271.17017	5.1
297.18454	2.6
626.33221	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	626.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93193	1.1
54.50337	0.9
56.22689	1.2
66.53527	1.2
67.05517	1.8
79.41422	1.2
81.07067	1.4
87.90649	1.2
91.05477	75.4
93.07040	4.6
95.04956	5.2
95.08607	12.7
101.57528	1.2
103.05495	1.6
105.07047	6.5
107.08582	6.2
107.11507	1.1
117.06963	1.4
119.04940	14.3
119.08571	9.2
121.06482	2.3
121.10134	4.7
123.08069	8.2
131.03349	1.2
133.10133	1.8
134.09674	13.8
135.08084	2.1
135.11697	2.3
140.45819	1.3
143.08585	2.3
145.10117	5.2
147.08076	1.7
147.11678	1.4
155.08588	1.3
157.10132	2.2
163.11177	1.5
171.11670	1.6
183.11560	2.1
195.11682	2.1
197.13153	1.5
209.13251	1.6
210.11244	61.9
251.18114	1.4
269.19049	2.7
271.16873	5.5
279.17581	2.1
297.18414	1.9
361.43842	1.4
369.88889	1.3
557.39825	1.6
626.33203	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	626.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
55.24194	1.0
61.20113	0.9
62.03316	0.9
62.19180	1.0
69.07077	1.2
79.05503	2.3
81.07053	4.3
91.05479	87.9
92.17870	2.1
93.07040	4.8
95.04964	4.5
95.08591	14.6
103.05469	2.4
103.49299	1.1
105.07036	10.0
107.04945	5.8
107.08573	5.7
109.06519	1.9
109.10200	1.3
116.39851	1.1
117.06965	1.6
119.04930	19.6
119.08568	10.0
121.06484	2.5
121.10137	4.2
123.08052	11.4
123.11672	1.7
131.08554	4.2
133.10136	4.7
134.09666	16.2
135.08092	2.4
135.11679	2.4
143.08562	4.3
145.10127	5.3
147.11690	1.4
149.06058	1.4
149.09636	1.9
155.08556	2.5
156.09293	1.9
157.10095	4.7
159.11671	1.5
163.11189	2.1
166.08658	2.1
169.10109	2.5
171.11586	3.8
173.09653	1.9
175.11230	1.3
181.10077	2.2
181.12358	1.1
183.11653	1.9
185.13327	1.8
193.10144	1.2
194.10956	1.3
195.11671	4.8
209.13266	2.5
210.11250	73.6
251.17992	1.7
271.16953	8.5
279.17502	1.6
297.18576	4.3
309.41757	1.1
315.83197	1.1
450.84198	1.2
462.36011	1.4
626.33264	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	626.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04510	0.7
51.23250	0.8
51.95784	0.7
52.72444	0.7
62.42231	0.8
72.04134	1.5
72.04517	32.1
79.05495	1.1
90.39751	0.9
91.05449	2.0
93.07056	1.3
105.07037	4.2
107.04955	37.1
107.08575	1.5
109.10153	1.0
119.08540	3.6
121.10163	1.6
123.11687	3.6
131.04930	1.2
131.08542	1.5
134.09653	100.0
147.08067	1.3
149.05995	10.3
151.11185	3.6
169.10135	1.4
176.10725	5.8
180.09305	1.2
183.11690	2.1
194.11751	49.6
209.13289	1.5
221.65662	1.0
238.13509	1.0
251.14227	1.0
267.17496	1.3
464.27182	0.9
517.11414	1.2
566.31097	17.0
626.33350	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26093	0.5
57.35462	0.5
68.40192	0.6
71.41138	0.6
72.04501	0.7
79.05497	4.1
91.05473	1.3
96.54420	0.6
107.04956	68.3
119.64704	0.7
134.09621	9.2
145.10110	0.9
149.05975	16.8
157.10193	2.3
169.10129	1.1
183.11646	1.0
191.48909	0.7
194.11761	100.0
195.11716	0.7
197.09677	0.7
207.11723	1.1
209.13220	1.2
232.85095	0.6
236.12775	2.9
251.14333	1.3
269.15366	1.2
285.93561	0.7
295.17026	1.2
313.18100	1.3
506.29224	4.2
541.00128	0.7
566.31415	2.7
626.33380	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59150	0.5
56.86988	0.5
70.45252	0.5
77.65350	0.6
79.05486	3.8
107.04949	55.9
125.06046	0.7
126.21483	0.6
134.09627	1.5
149.05962	13.7
151.11131	0.7
157.10094	2.9
169.10167	0.9
183.11618	0.6
194.11763	100.0
236.12823	2.6
313.17865	2.2
317.06479	1.1
318.06915	1.4
373.19589	0.6
539.71735	0.6
626.33246	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	626.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19703	14.1
54.16553	13.2
60.04525	35.1
65.49287	14.9
67.46359	15.4
67.69049	16.8
72.13361	14.9
92.17856	27.3
103.05458	17.7
108.19096	16.7
109.06489	21.1
119.08582	100.0
131.04921	84.1
131.08598	21.1
145.06450	74.9
145.10078	17.8
146.44090	16.0
157.10092	35.9
183.11694	33.6
185.13274	21.0
209.13208	20.9
263.18094	25.5
281.18890	36.4
299.19998	32.9
486.97394	19.0
618.47870	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	626.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48342	2.2
53.84988	2.1
55.05512	3.6
56.12641	2.6
67.05505	3.3
79.05509	2.8
79.76225	2.8
81.07047	13.4
91.05478	11.4
92.18623	2.5
92.19424	2.8
93.07040	17.9
93.31202	2.6
95.08593	30.0
96.75221	2.6
103.05486	11.5
105.07037	26.4
107.08597	17.8
109.10175	25.9
116.22406	2.8
119.08578	43.5
121.10149	20.1
123.08076	11.6
129.07010	4.3
131.04942	51.5
131.08572	26.0
133.10115	32.0
135.47617	3.3
142.07799	5.8
143.08556	39.6
145.10115	17.2
147.08026	3.3
147.11739	3.5
155.08568	39.7
157.10112	39.3
159.08043	6.7
161.09648	5.0
165.06931	4.4
167.08563	13.2
169.10129	32.3
170.10892	4.4
171.11679	14.8
173.09680	3.1
175.11029	3.2
179.08502	5.7
180.09206	4.0
181.10162	20.7
182.10983	3.0
183.11699	25.2
185.09688	3.3
185.13162	3.2
192.09407	6.8
193.10072	22.5
194.10916	5.7
195.11708	28.5
197.09512	4.9
197.13274	10.5
199.11247	3.0
206.10924	17.9
207.11676	37.8
208.12495	5.3
209.13322	16.3
211.11179	12.1
211.14879	4.7
219.11652	4.2
220.12408	11.5
221.13249	27.3
222.14105	4.3
223.14893	27.4
225.12700	11.0
233.13239	16.2
234.14063	16.6
235.14926	5.2
237.16344	15.6
239.14339	6.2
241.15904	3.4
248.15544	21.5
253.15791	4.2
253.19420	6.2
263.17932	100.0
281.19003	45.8
299.20096	4.5
323.20044	14.3
341.21204	6.4
383.22153	5.6
413.02567	3.0
471.25366	3.7
510.09375	3.6
538.40979	2.8
549.28235	3.4
568.37146	2.9
591.29413	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	626.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53332	2.1
59.36593	2.1
62.06079	10.4
73.11676	2.2
76.20553	2.3
81.07079	2.6
83.04972	2.9
83.08566	2.6
95.08576	3.4
97.06532	3.9
104.20972	2.4
105.07006	4.7
107.08592	5.1
108.55886	2.5
109.06515	3.3
118.64723	2.4
119.08567	4.7
121.10136	3.3
131.08583	3.0
133.10112	5.5
135.08040	36.1
137.05971	2.9
137.09492	2.9
143.08527	2.9
145.06473	42.0
145.10100	3.1
147.08052	5.7
147.11742	2.9
155.08525	3.3
157.10115	5.7
159.11688	5.6
163.07515	100.0
165.09053	3.0
169.10080	5.8
171.11691	11.0
173.13248	3.9
182.10780	2.3
183.11678	10.7
185.13220	2.6
193.10236	2.8
197.13289	11.9
199.11256	11.3
201.12903	3.3
205.08620	12.6
207.11728	4.3
209.13309	3.7
211.11206	5.0
211.14783	4.2
225.12717	9.8
234.13954	4.2
239.14223	2.8
239.17982	27.8
249.16417	14.4
257.18976	3.6
267.17419	63.4
267.20065	4.3
285.18430	24.7
323.14960	17.7
327.19525	59.0
345.20767	10.0
387.21747	11.6
445.25876	3.7
447.23639	3.3
505.28036	4.2
531.87927	2.8
551.41199	2.4
565.30225	17.8
608.33429	4.4
626.33966	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	627.1558
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
50.15562	0.3
56.06245	0.3
57.00393	0.3
57.03417	1.6
58.78847	0.3
67.58747	0.3
69.03437	0.3
69.68925	0.3
71.04998	7.9
81.03403	0.3
83.04964	0.5
85.02900	11.3
94.98173	0.3
97.02898	1.2
109.02759	0.3
123.33711	0.3
124.52271	0.3
127.03905	0.5
129.05455	2.2
153.01802	1.4
165.01860	0.8
241.86009	0.3
245.04411	0.4
263.05515	0.4
273.04010	1.5
303.04913	1.5
319.04462	100.0
367.38293	0.4
380.78903	0.3
481.09561	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74187	0.2
55.01877	0.3
57.03426	1.5
59.04993	0.3
61.02914	1.6
68.60371	0.2
69.03413	1.8
69.80923	0.2
73.02551	0.4
73.02923	7.0
81.03364	0.4
85.02903	6.8
97.02907	3.8
97.51484	0.3
99.04405	0.3
109.02861	0.3
115.03931	0.7
127.03910	0.6
133.04930	1.1
139.03909	0.6
145.04956	1.3
153.01793	1.2
165.01878	0.4
165.05457	0.4
167.03349	0.6
190.76672	0.3
204.94148	0.2
245.04472	0.4
245.82704	0.3
273.03992	1.4
277.07089	0.6
287.05554	1.0
301.03357	2.2
303.04974	1.7
318.03738	4.2
319.04538	0.5
333.06027	100.0
375.06940	0.4
465.09921	0.3
495.11349	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	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48160	0.3
69.03421	1.7
69.20674	0.4
76.22162	0.4
81.03419	0.6
85.02906	5.9
90.51643	0.4
97.02873	2.0
109.02835	0.4
123.04458	0.5
127.03881	0.6
144.41490	0.5
145.04980	0.6
153.02112	0.4
247.06216	0.5
303.04971	100.0
385.61383	0.5
465.10284	18.6
627.15875	0.5
652.37250	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	627.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90840	1.0
54.35587	0.8
54.66048	0.8
60.61961	0.9
69.03417	5.2
71.88355	1.1
79.05489	4.8
79.37569	1.1
81.03405	7.1
85.02898	14.8
91.05476	6.2
95.04945	2.1
97.02856	2.6
105.03387	100.0
107.04996	1.3
109.02872	4.9
123.04405	20.8
127.03896	5.9
129.06938	1.5
131.08548	2.5
137.05988	2.4
157.06444	2.2
159.08035	5.8
169.06523	1.4
171.08005	1.5
174.06769	5.5
175.07460	3.8
186.06795	1.5
189.09097	24.7
191.10611	1.3
201.09016	9.9
203.10669	8.0
210.11240	5.7
211.11467	1.7
219.10132	87.4
249.07581	1.4
267.08597	22.1
283.08167	2.4
368.63284	1.4
540.51068	1.3
627.33514	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	627.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28657	0.8
53.03947	1.7
56.51459	0.8
58.38508	0.9
63.17661	0.8
69.55118	0.9
71.16429	0.9
77.03921	1.3
80.35191	0.8
81.03397	1.1
91.05466	1.6
93.07032	1.7
95.04959	10.5
98.09548	1.1
98.32426	0.9
101.00963	0.9
105.03397	100.0
105.04527	4.7
105.07008	2.0
107.08600	2.0
117.07038	1.2
119.08554	3.7
123.04483	1.2
129.07054	1.1
132.63315	1.0
133.06482	5.4
133.10139	1.1
135.08034	2.3
145.10165	1.3
147.08105	2.0
157.10075	1.0
159.08026	1.5
175.07559	1.4
179.08609	1.1
206.10994	1.3
209.09660	1.2
211.11250	1.0
213.09131	1.3
218.10971	1.1
222.10336	1.0
223.11169	1.0
225.09152	1.2
236.11887	1.0
237.12654	2.3
239.10593	1.4
249.09117	2.2
251.14349	2.0
253.12239	1.5
255.13808	1.8
261.12799	1.3
263.10696	1.3
264.11432	2.3
265.12210	2.2
267.10284	1.2
273.80865	1.1
279.13852	6.2
281.11646	7.1
283.13470	1.1
295.13266	2.2
297.14905	3.6
307.13266	11.6
325.14368	9.7
367.14929	1.0
428.53192	1.0
484.70285	1.3
567.13495	1.1
567.22247	29.7
627.27325	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	627.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91151	1.3
69.03452	1.3
70.52541	1.3
74.27446	1.2
77.03914	2.2
83.49035	1.4
91.05498	2.5
92.86133	1.9
95.04957	8.8
105.03397	100.0
105.04485	4.8
105.07052	1.9
107.08548	2.1
131.08641	1.6
133.06493	3.3
135.08028	2.3
135.09915	2.1
142.00832	1.5
149.05981	1.9
163.07646	1.5
163.27255	1.4
204.21019	1.8
213.09050	1.6
213.12532	1.4
235.11205	1.6
239.10469	2.2
249.09143	2.0
255.10103	2.4
255.13783	3.0
264.11465	2.4
279.13733	10.3
281.11688	8.3
295.13400	3.0
297.14819	7.1
307.13312	8.8
325.14319	5.7
567.22333	20.6
627.14886	2.3
627.24152	6.6
627.33521	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	627.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89709	0.3
55.05513	2.5
68.39623	0.4
70.06590	100.0
72.08154	37.2
82.30740	0.4
84.04511	2.3
102.05546	1.9
106.33839	0.4
127.08678	5.8
139.03850	0.9
148.06075	2.1
155.08156	14.2
169.13364	1.9
170.04482	0.7
173.09245	1.5
181.09706	10.7
187.07234	0.8
188.07016	0.4
199.10757	9.0
201.11928	0.4
205.08167	4.3
205.09782	0.5
209.09181	6.6
227.10315	3.0
244.98883	0.4
261.07767	0.4
262.15558	0.8
280.16635	0.8
284.12411	0.7
302.13446	32.0
308.16153	1.6
326.17169	2.4
401.20319	2.6
451.71890	0.4
462.23383	1.5
609.28748	4.6
627.29840	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	627.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65369	0.8
59.89342	1.0
67.05507	1.0
83.01124	1.0
83.04976	9.1
91.05453	1.4
92.63476	1.0
93.07040	4.3
95.04977	2.2
95.08584	1.7
105.07019	4.2
107.08603	4.3
109.10157	2.1
117.07026	4.0
119.08598	8.1
121.10133	1.2
122.33521	1.0
126.61220	1.0
131.08496	1.2
133.10133	17.0
135.08081	1.7
143.08585	2.1
145.10172	9.0
147.11693	3.8
157.10170	4.1
173.13321	1.4
181.10117	1.4
181.37085	1.2
183.06293	24.8
183.07797	1.4
185.13376	1.3
195.11742	2.4
209.13306	4.7
223.14763	1.8
251.15541	1.3
447.25079	2.1
567.29358	1.1
627.31445	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	627.3143
Annotation	Bonaspectin A
Peak:m/z	Relative Intensity
62.93189	2.8
68.57347	2.6
76.84843	2.7
77.61048	2.9
93.07021	3.3
95.04952	3.7
105.07018	6.2
108.36180	3.9
119.08599	11.6
122.30580	3.0
123.46638	2.9
124.99951	3.3
131.08571	3.3
133.10152	17.7
135.82529	2.7
143.08543	4.9
145.10159	3.8
157.10133	6.0
207.11751	6.8
212.49883	4.1
221.13187	6.8
230.98065	3.4
248.15700	3.7
263.17838	3.2
392.60779	3.1
565.87311	3.4
567.29602	4.8
627.31360	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	627.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24696	0.5
62.49297	0.5
66.84967	0.5
67.37536	0.6
81.07040	0.7
111.39269	0.5
140.35378	0.5
146.03041	0.6
150.52872	0.6
169.10146	0.8
173.05913	0.7
179.07072	0.6
185.09586	0.9
193.10156	1.0
196.08847	1.1
197.06017	0.6
197.09674	2.4
210.14066	0.7
211.11168	14.2
211.14778	1.0
212.08365	1.2
213.09119	6.6
215.10725	3.3
221.09566	3.6
223.14864	2.2
224.08299	5.5
225.09103	0.9
227.10568	0.7
235.14813	0.7
237.09138	2.3
238.09869	5.3
238.13522	0.7
239.10643	41.0
239.14413	2.8
241.08510	0.9
251.14287	1.2
253.15884	5.9
255.10118	29.1
255.13731	1.8
256.10995	2.5
257.11740	4.7
263.14383	0.6
266.13089	2.4
281.15381	10.9
283.13269	2.9
297.14651	0.7
298.15659	2.7
299.16388	79.3
331.19128	0.5
457.52759	0.5
590.15668	0.6
609.32202	3.8
627.33124	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	627.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76533	1.2
55.27448	1.3
56.96577	2.0
81.07067	2.3
93.07011	1.8
98.97600	1.4
99.40422	1.5
109.10197	1.5
139.03873	2.5
315.16281	82.8
333.13287	3.2
333.17349	100.0
351.18478	32.3
356.18927	7.7
359.22046	1.5
550.84857	1.5
591.37207	11.7
609.38116	10.5
627.39417	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	628.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04197	0.6
53.03949	1.1
61.21967	0.8
67.05470	3.3
79.05453	3.1
81.07035	1.4
86.54719	0.8
91.05476	100.0
93.06995	1.4
95.04989	6.2
95.08556	1.1
103.05396	4.2
105.03392	40.1
105.04440	1.4
105.07024	8.8
107.04890	1.2
107.08575	1.5
109.06425	0.7
109.21330	0.8
113.92437	0.9
115.05394	0.9
117.06937	5.2
119.04932	21.0
119.08502	4.2
121.06447	1.3
121.10062	1.2
121.96590	0.8
122.56004	0.9
129.06963	8.5
130.07864	0.8
131.08490	4.1
133.06447	1.0
133.10005	1.1
134.09645	71.4
141.06902	1.0
143.08466	5.1
145.06392	3.3
145.10042	1.1
147.08038	1.3
153.06905	1.6
155.08571	16.8
158.07214	0.8
159.08022	1.2
165.05679	1.0
165.06981	16.1
165.90353	0.7
166.07660	5.4
167.08551	28.1
168.09161	1.0
169.10146	9.3
171.11592	0.9
171.30696	0.8
178.07652	5.3
179.07076	1.6
179.08542	38.5
180.07913	1.0
180.09323	20.3
181.10117	27.5
183.08023	1.9
183.11588	4.7
191.08568	1.3
192.09338	14.2
193.08510	0.9
193.10124	22.9
194.10901	46.1
195.07933	3.4
195.11690	18.5
197.09541	0.9
197.13130	3.7
203.08429	1.1
204.09375	12.0
205.09914	1.1
206.10948	5.6
207.07935	1.9
207.09886	0.9
207.11655	15.7
208.09367	5.9
208.12411	4.5
209.09601	1.7
209.13243	62.9
210.11237	85.8
211.11131	5.6
211.14670	3.2
219.11650	16.6
220.12520	1.0
221.13165	7.9
222.10364	16.1
225.12540	0.8
234.96645	1.1
237.12724	33.3
239.14282	7.9
255.13644	1.5
267.25977	0.8
273.18143	1.0
297.14890	8.5
446.23279	32.8
488.24030	1.3
506.25336	45.7
597.41882	0.8
610.27844	1.1
628.28326	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96496	0.7
63.54193	0.7
64.19640	0.7
67.05504	1.5
79.05492	3.0
87.88345	0.8
91.05476	100.0
93.07010	1.2
95.04945	5.4
103.05444	4.8
105.03387	44.4
105.07005	5.6
107.04918	3.4
117.06979	5.0
119.04934	19.2
121.06506	1.3
124.91235	0.8
129.06995	4.8
131.04958	1.2
131.08577	3.3
133.06458	1.2
134.09648	67.5
143.08549	4.7
145.06465	4.0
148.11205	1.6
153.07022	4.1
155.08540	17.8
158.07243	1.2
159.08107	1.0
165.06956	18.5
166.07700	6.4
167.08562	29.5
169.10103	8.8
178.07773	4.4
179.08542	41.4
180.09349	23.8
181.10117	29.1
183.11731	3.8
186.42252	1.1
191.08585	2.0
192.09290	16.1
193.10114	19.8
193.65982	0.9
194.10899	44.0
195.07973	1.9
195.11674	16.3
197.09618	1.0
197.13229	1.6
203.08624	1.7
204.09369	12.6
206.10942	2.1
207.07954	1.5
207.11685	16.8
208.09695	3.7
208.12457	2.0
209.13246	71.7
210.11230	73.2
211.11176	5.2
211.14789	1.8
219.11658	15.0
221.13268	8.8
222.10381	15.2
225.12759	1.7
227.14354	2.0
237.12717	33.3
239.14253	6.4
255.13828	1.3
297.14865	7.1
306.08591	0.9
337.16891	0.9
387.68179	0.9
446.23203	30.3
488.24472	1.6
506.25333	25.6
513.65649	1.0
628.28857	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.9
71.14157	0.5
77.03936	0.6
79.05497	2.2
81.07061	0.7
91.05475	100.0
93.07054	0.7
95.04966	5.2
103.05473	3.5
105.03392	39.5
105.04491	2.1
105.07007	7.0
107.04948	0.8
117.07010	3.5
119.04931	17.7
119.08540	1.0
121.06458	0.7
123.03521	0.6
128.06134	0.7
129.07011	6.5
131.08565	3.2
133.06439	0.6
133.39392	0.6
134.09647	54.6
143.08537	3.4
145.06508	4.0
147.08075	0.8
148.11148	0.8
153.06960	2.2
155.08533	13.6
157.10092	2.3
159.08092	0.8
164.10626	0.8
165.05583	1.0
165.06973	14.2
166.07806	5.9
167.08539	29.1
168.09293	1.4
169.10121	7.3
178.07771	3.4
179.08528	34.4
180.09320	22.7
181.10112	28.1
182.11038	0.9
183.11720	2.8
189.06987	0.7
191.08469	0.7
192.09306	12.2
193.10112	19.1
194.10898	49.1
195.08051	3.7
195.11679	14.4
196.08846	1.0
197.13289	2.7
197.64420	0.6
203.08539	0.7
204.09322	9.2
206.10918	2.4
207.08063	2.3
207.11659	16.1
208.09354	3.3
208.12477	2.9
209.09631	3.1
209.11197	1.0
209.13237	70.7
210.11240	72.8
211.11272	4.8
211.14777	3.4
219.09698	0.8
219.11693	13.4
221.09595	0.6
221.13242	7.0
222.10373	13.5
225.12833	1.0
227.14212	1.0
235.11221	1.1
237.12717	30.7
239.14330	7.2
253.12244	0.8
255.13820	2.5
263.14200	0.7
296.47040	0.6
297.14828	7.7
341.15176	0.8
380.19006	0.6
446.23236	26.1
488.24216	0.9
506.25339	29.3
628.28912	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06065	2.5
79.05502	2.2
81.07034	1.7
91.05481	100.0
95.04977	4.9
101.00682	1.1
103.05463	1.5
104.40263	1.1
105.03397	28.8
105.07026	4.4
107.04971	1.2
107.08546	1.7
117.07026	4.9
119.04926	19.1
119.08599	4.1
123.11718	1.4
129.07019	4.1
131.08551	2.5
133.10097	1.4
134.09650	48.7
135.11734	1.6
143.08542	5.5
145.06369	1.7
145.10072	1.1
153.06999	1.3
155.08556	10.5
157.10075	5.0
159.11789	1.4
159.53287	1.2
165.06952	8.6
166.07762	5.4
167.08536	21.2
169.10110	8.5
178.07762	2.6
179.08536	26.1
180.09335	15.6
181.10112	18.3
183.11749	2.5
192.09309	9.6
193.10109	12.7
194.10895	31.2
195.08191	1.8
195.11681	12.7
197.13312	1.7
203.08548	1.6
204.09355	7.5
206.10912	2.4
207.11650	10.4
208.09511	1.9
208.12529	1.5
209.11629	1.0
209.13243	49.6
210.11246	81.5
211.11237	6.5
211.14821	2.3
219.11632	11.0
221.13255	6.1
222.10364	11.4
237.12711	23.6
238.10788	1.6
239.14310	6.0
271.20544	1.4
285.90710	1.1
297.14774	5.4
393.60855	1.3
446.23068	15.1
506.25330	16.3
534.35834	1.0
628.27441	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04197	0.6
53.03949	1.1
61.21967	0.8
67.05470	3.3
79.05453	3.1
81.07035	1.4
86.54719	0.8
91.05476	100.0
93.06995	1.4
95.04989	6.2
95.08556	1.1
103.05396	4.2
105.03392	40.1
105.04440	1.4
105.07024	8.8
107.04890	1.2
107.08575	1.5
109.06425	0.7
109.21330	0.8
113.92437	0.9
115.05394	0.9
117.06937	5.2
119.04932	21.0
119.08502	4.2
121.06447	1.3
121.10062	1.2
121.96590	0.8
122.56004	0.9
129.06963	8.5
130.07864	0.8
131.08490	4.1
133.06447	1.0
133.10005	1.1
134.09645	71.4
141.06902	1.0
143.08466	5.1
145.06392	3.3
145.10042	1.1
147.08038	1.3
153.06905	1.6
155.08571	16.8
158.07214	0.8
159.08022	1.2
165.05679	1.0
165.06981	16.1
165.90353	0.7
166.07660	5.4
167.08551	28.1
168.09161	1.0
169.10146	9.3
171.11592	0.9
171.30696	0.8
178.07652	5.3
179.07076	1.6
179.08542	38.5
180.07913	1.0
180.09323	20.3
181.10117	27.5
183.08023	1.9
183.11588	4.7
191.08568	1.3
192.09338	14.2
193.08510	0.9
193.10124	22.9
194.10901	46.1
195.07933	3.4
195.11690	18.5
197.09541	0.9
197.13130	3.7
203.08429	1.1
204.09375	12.0
205.09914	1.1
206.10948	5.6
207.07935	1.9
207.09886	0.9
207.11655	15.7
208.09367	5.9
208.12411	4.5
209.09601	1.7
209.13243	62.9
210.11237	85.8
211.11131	5.6
211.14670	3.2
219.11650	16.6
220.12520	1.0
221.13165	7.9
222.10364	16.1
225.12540	0.8
234.96645	1.1
237.12724	33.3
239.14282	7.9
255.13644	1.5
267.25977	0.8
273.18143	1.0
297.14890	8.5
446.23279	32.8
488.24030	1.3
506.25336	45.7
597.41882	0.8
610.27844	1.1
628.28326	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
67.05513	1.2
79.05491	3.3
81.07072	0.9
91.05482	100.0
93.07060	0.9
95.04964	5.3
103.05470	1.6
105.03396	42.4
105.04467	1.5
105.07028	5.0
107.04935	3.5
107.27932	0.9
117.07005	4.3
119.04929	20.5
119.08560	1.4
129.06999	5.8
131.08524	3.5
131.57018	0.8
134.09657	64.1
143.08592	5.2
145.06493	5.3
153.07002	4.4
155.08543	13.6
158.07281	1.5
159.08014	1.1
165.06982	17.2
166.07674	5.8
167.08539	31.9
167.09920	1.1
169.10143	7.3
169.28204	0.7
178.07761	4.1
179.08554	42.4
180.09344	21.7
181.10109	30.4
183.08073	1.1
183.11682	3.7
189.06955	1.0
191.08603	1.2
192.09319	15.4
193.10144	19.1
194.10913	45.1
195.08084	1.3
195.11702	16.8
195.68236	0.7
197.13194	1.5
203.08502	1.1
204.09326	10.9
206.10902	4.6
207.11662	17.0
208.09560	4.9
208.12480	1.4
209.09921	2.9
209.13252	76.3
210.11253	75.1
211.11180	5.0
211.14841	3.2
219.11664	14.3
221.13277	7.2
222.10384	13.0
227.14221	1.1
237.12721	36.2
239.14253	8.3
255.13715	1.7
297.14841	7.3
446.23279	29.1
468.62024	0.8
488.24048	1.3
506.25375	28.3
628.28937	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86702	6.4
60.78008	6.3
66.74023	6.2
69.07063	6.9
69.59486	7.6
77.33433	6.9
79.05504	11.9
81.03389	7.5
83.04967	12.6
85.28236	7.4
91.05500	32.8
93.07048	27.2
97.06521	14.6
105.07028	57.3
107.08596	32.4
109.06504	14.7
117.07006	10.3
119.08572	47.6
121.06486	38.5
123.08075	17.1
129.06963	13.6
131.08554	36.5
133.06477	33.2
133.10141	30.7
135.08025	16.6
137.09584	9.9
143.08528	30.6
145.06487	16.2
145.10158	35.2
147.08044	36.4
151.07626	18.0
155.08551	30.3
157.10136	16.3
159.08022	30.0
161.09627	26.3
163.07518	8.3
167.08585	9.2
169.10104	39.8
171.08089	14.3
173.09569	14.1
175.07445	9.5
177.09193	10.6
179.08667	12.9
181.10132	53.2
183.08025	8.0
183.11694	13.4
185.09625	31.3
187.11121	13.4
192.09312	13.8
193.10136	35.3
194.11006	10.1
195.08031	13.5
195.11664	68.7
196.08774	10.0
197.09612	27.9
197.13239	11.2
199.11191	28.8
206.10928	11.9
207.11681	58.6
208.12553	9.5
209.09654	35.6
209.13277	39.3
211.11182	49.8
213.09169	13.0
213.12820	15.7
217.10188	27.6
221.13263	32.7
222.13989	10.7
223.11156	40.2
223.14793	44.7
225.09151	9.8
225.12703	46.5
227.10698	16.9
232.12509	28.5
235.11137	30.1
237.09174	9.7
237.16393	38.6
238.09764	8.7
239.14375	16.9
241.12196	28.1
241.15808	11.8
247.14868	33.6
250.13438	8.0
251.10507	12.2
251.14360	29.0
253.12210	46.0
253.15958	12.8
255.13527	9.9
260.12091	27.1
263.14285	12.3
265.15900	70.6
269.15414	13.7
275.14246	37.7
281.15344	28.1
283.16959	18.2
293.15302	100.0
311.16458	99.9
313.14215	11.9
329.17636	14.0
353.17554	53.1
362.77768	7.3
371.18576	40.9
373.16492	40.6
413.19614	39.7
431.20795	12.6
473.21756	13.2
491.22699	59.0
533.23657	26.8
562.97607	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	628.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31702	7.8
67.05508	12.1
69.07050	6.4
79.05491	32.5
80.84196	7.3
82.32249	6.6
91.05486	68.1
91.67001	8.0
93.07049	13.0
95.04961	9.7
95.08580	8.9
97.06493	7.4
105.07022	48.1
107.04955	16.4
107.08553	17.6
109.06535	9.9
109.10173	9.3
117.06986	12.8
119.08586	36.7
121.06501	30.8
121.10108	10.2
123.08048	13.3
129.07018	9.4
131.08603	27.5
133.06523	13.9
133.10141	44.8
135.08044	29.6
137.09628	17.7
143.08578	18.2
145.06439	14.6
145.10115	36.7
147.08066	18.8
149.09604	15.8
149.54756	9.7
155.08554	15.5
157.10126	34.3
159.08008	37.2
161.09596	35.8
165.09053	11.0
167.08553	14.2
169.10106	33.0
171.11656	30.8
173.09541	14.3
181.10155	12.2
183.11723	18.5
185.09589	13.2
187.11223	10.8
193.10207	16.7
195.08104	13.4
195.11630	59.3
197.09596	14.4
197.13261	31.4
199.11153	15.8
205.10049	10.3
207.11708	16.2
209.09554	17.3
210.11232	39.6
211.11198	38.6
213.09210	8.7
213.12729	30.4
221.13321	16.5
223.11226	41.0
223.14943	12.5
225.12685	51.3
227.10591	9.4
227.14322	10.7
235.11279	15.6
235.14894	30.5
237.12711	16.9
237.16412	17.6
239.14238	35.9
241.12192	13.5
250.13570	8.4
251.14276	39.6
253.12273	9.6
253.15800	13.5
265.15939	36.0
269.15314	9.3
275.14304	9.7
281.15405	33.9
283.16959	33.7
293.15381	77.2
299.16553	38.0
311.16370	100.0
329.17334	62.9
341.17877	12.2
347.17975	8.8
353.17221	26.0
371.18329	50.5
389.19711	17.5
444.11404	8.0
628.34741	65.2
633.64478	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	628.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13557	2.3
58.41665	2.2
61.92167	2.3
78.80931	3.0
81.63811	2.9
91.05474	18.9
93.07035	3.6
95.08609	4.8
105.07008	6.3
106.29323	2.9
107.04945	4.1
107.08569	5.2
119.04960	5.6
119.08555	3.0
121.06495	13.3
123.08089	4.9
133.06476	16.7
133.10106	4.8
135.08047	3.6
143.08578	5.5
145.10196	3.2
146.70506	2.8
147.07997	4.2
149.05991	5.8
157.10049	2.9
159.08032	5.7
161.09608	6.7
167.08536	2.6
169.10138	3.8
173.09589	3.5
177.09053	4.7
181.10114	4.5
183.08067	2.7
183.11707	3.6
185.09612	5.5
193.10158	6.3
195.11681	18.0
197.09628	4.9
197.13217	5.9
199.11197	12.1
207.11710	13.6
209.09628	17.6
209.13152	4.0
210.11182	15.9
211.11325	25.3
213.12822	5.3
221.13275	4.1
223.11140	28.2
223.14751	10.6
225.09018	3.7
225.12665	24.8
227.10669	13.7
232.12453	4.5
235.11200	6.4
237.16354	4.8
239.14340	6.4
241.12260	19.1
241.15880	4.4
242.82745	2.8
247.14783	14.6
249.12714	5.1
249.16324	3.0
251.10648	5.7
251.14305	4.9
253.12173	23.8
253.15938	4.7
260.11957	11.7
263.14346	6.1
265.15851	27.6
269.11697	11.3
275.14246	12.8
278.12994	3.5
281.15353	11.5
283.16940	15.8
293.15314	38.6
299.16473	6.2
311.16409	31.3
329.17435	16.0
353.17508	19.9
371.18494	10.5
373.16422	77.1
373.23599	3.0
401.64337	3.1
413.19321	21.0
415.17526	39.1
431.20544	6.2
473.21924	25.6
491.22620	24.4
533.23889	100.0
575.24677	6.2
628.33795	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	628.3118
Annotation	Cycloaspeptide C
Peak:m/z	Relative Intensity
53.71475	0.9
54.34758	0.9
59.99590	0.8
79.05489	8.0
86.07640	1.0
88.00942	1.1
91.05440	4.7
105.06989	1.7
107.04951	100.0
119.08569	2.3
124.22012	0.9
134.09665	18.1
143.08542	9.6
149.05981	22.5
167.08519	4.2
169.10091	1.5
179.08588	1.6
180.09358	1.6
181.10097	9.9
189.08823	0.9
194.11778	93.3
195.11665	1.2
199.11159	13.9
199.86836	0.9
209.13214	8.1
210.11284	1.9
211.14793	1.3
227.14270	3.7
237.12645	4.7
245.15373	5.0
255.13783	1.5
315.15826	5.0
325.99478	1.0
432.25162	4.2
450.26257	5.7
628.31134	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17538	0.6
54.63018	0.8
56.69825	0.8
59.13340	0.7
75.57021	0.8
78.25977	0.7
79.05495	7.4
89.54551	0.9
91.05443	1.8
93.07027	1.0
94.13842	1.0
105.07004	3.2
107.04956	100.0
107.08559	0.9
119.08573	1.3
131.08391	1.0
134.09639	13.9
140.82593	0.8
143.08571	7.0
149.05991	20.8
155.08641	0.9
165.07021	1.2
167.08524	3.5
169.10083	1.0
171.11638	1.0
179.08458	1.8
181.10129	6.2
194.11777	78.6
199.11192	11.9
209.13246	8.7
221.13150	1.0
227.14290	4.1
237.12802	3.1
245.15298	3.5
273.14648	0.9
315.15909	1.7
368.60934	0.9
432.25311	3.7
450.26208	12.2
510.28278	4.3
568.32568	1.8
575.35925	1.2
628.31067	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60342	1.2
65.44397	1.0
66.60715	1.1
67.05512	1.4
67.64738	1.1
68.38533	1.2
81.07059	2.6
82.18451	1.2
91.05484	81.2
93.07027	6.4
95.04950	5.4
95.08591	3.0
103.05424	1.3
105.07031	6.9
107.04962	1.6
107.08597	7.3
108.05998	1.3
109.06474	1.6
109.10162	1.6
112.02864	1.3
117.07020	1.9
119.04950	14.0
119.08575	15.9
121.06483	1.6
121.10141	9.3
123.11723	1.6
131.08574	3.0
133.10147	9.5
134.09650	20.2
135.11687	4.8
143.08575	6.8
145.10121	4.7
147.08131	1.4
147.11772	1.5
155.08553	2.6
157.10121	6.4
159.11667	1.7
169.10141	4.8
171.11620	4.1
177.33321	1.2
178.73866	1.2
183.11751	2.3
183.30002	1.2
185.13243	1.8
195.11749	2.4
197.13280	5.8
199.95546	1.3
209.13350	2.6
210.11255	93.2
211.14746	1.7
213.12856	1.8
220.62355	1.2
221.13254	1.6
225.16341	1.5
234.14308	1.2
236.69086	1.2
253.19632	1.2
255.17589	1.5
269.19128	2.5
271.20279	1.7
273.18460	1.5
281.18875	2.1
299.20236	2.6
316.31891	1.1
359.22141	2.6
559.56616	1.4
628.34747	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	628.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76043	0.2
72.04519	0.4
79.05495	6.6
91.04906	0.6
91.05479	15.2
92.05840	0.3
93.07067	0.4
103.05446	0.8
105.07049	1.8
107.04955	84.2
107.08604	0.6
109.06502	0.4
119.04966	3.2
119.08614	0.4
120.08068	0.5
121.06501	0.3
133.10100	0.4
134.09654	9.6
135.08047	0.4
135.11674	0.5
145.10066	0.4
149.05972	16.3
150.09129	0.5
155.08652	0.4
161.09587	0.4
194.11763	100.0
195.11852	0.8
198.63878	0.3
209.13251	0.4
210.11241	24.9
211.11435	0.6
222.78659	0.3
239.14256	0.4
252.20436	0.4
309.05627	0.3
404.51019	0.4
467.96805	0.4
492.27481	2.4
510.28674	2.5
523.94775	0.4
568.32544	3.3
628.34271	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	628.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41395	0.5
62.72962	0.6
65.32355	0.6
71.09995	0.5
79.05493	5.7
105.07028	0.8
107.04953	84.3
107.08614	1.2
134.09651	5.9
149.05971	17.4
153.86026	0.7
194.11758	100.0
245.64670	0.6
268.58148	0.6
325.30905	0.8
466.22156	0.6
526.19843	0.7
568.32635	3.1
628.34741	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	628.348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21645	0.8
78.24872	1.0
79.05499	6.0
91.05460	0.8
92.18449	1.3
98.52788	0.7
105.07069	1.0
107.04956	73.0
112.78170	0.8
119.08568	1.9
121.10126	1.8
130.40109	0.8
131.08572	1.8
134.09622	1.7
137.09599	1.1
149.05977	17.7
149.09636	3.1
151.77333	0.9
157.10161	1.1
169.09998	0.9
190.34325	1.0
194.11761	100.0
207.19839	0.9
207.32722	0.9
219.49567	0.8
236.12875	1.0
315.19623	0.9
403.05936	1.0
431.32285	0.9
614.27539	0.9
628.34833	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	628.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57778	0.6
54.55799	0.7
55.05501	0.7
59.28420	0.8
67.05499	1.5
69.07038	1.3
75.45949	0.7
77.44631	0.8
79.05489	1.1
81.07053	2.9
86.90102	0.8
91.05477	95.1
92.18530	1.7
93.07055	5.5
95.04955	4.6
95.08610	7.6
103.05431	1.4
103.76591	0.7
105.07021	9.9
106.78335	0.8
107.04957	1.4
107.08567	9.1
109.06475	1.2
109.10155	5.3
117.07092	1.2
119.04933	16.9
119.08569	14.9
121.06507	1.1
121.10146	5.2
123.08036	1.8
123.11762	0.9
129.06934	1.0
131.08522	5.9
133.10127	7.0
134.09653	22.0
135.08037	5.0
135.11671	4.3
135.89113	0.9
143.08546	3.3
145.10132	6.8
147.11688	4.6
155.08534	4.0
157.10097	6.4
159.08002	0.9
159.11716	4.6
161.09642	1.1
161.13297	1.2
163.38921	0.8
169.10118	5.2
171.11671	4.0
173.09599	1.6
173.13335	1.0
175.11206	0.8
181.10144	1.1
183.11588	6.1
185.09628	1.0
185.13304	1.3
194.11830	1.0
195.11765	3.4
197.13205	6.9
199.14848	1.5
209.13150	1.0
210.11235	100.0
210.90622	0.8
211.14861	1.9
213.12759	0.9
215.98343	0.9
223.14850	1.6
225.12773	1.4
225.16547	0.9
253.19604	4.0
255.17470	1.6
263.17874	1.3
271.20428	1.3
273.18469	3.5
281.19025	5.1
299.19940	1.8
538.55005	1.0
610.33197	1.7
628.34790	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73797	1.1
67.05510	1.4
79.05519	1.8
81.07078	2.0
86.44347	0.9
89.57383	1.1
91.05479	91.5
92.18548	1.9
93.07040	6.4
93.47128	1.0
93.93878	1.0
95.04970	4.3
95.08607	7.3
96.97369	0.9
97.10248	1.1
100.11266	1.1
101.38684	1.1
103.05492	1.4
105.07018	10.7
107.04282	1.3
107.04961	6.8
107.08618	8.2
109.06490	1.7
109.10159	6.6
119.04925	16.5
119.08582	9.7
121.06474	2.1
121.10142	4.5
123.11732	2.1
131.08606	5.8
133.10150	5.4
134.09650	25.2
135.08066	1.7
135.11699	4.4
142.07634	1.0
143.08566	4.7
145.10147	8.6
147.08052	1.9
147.11662	4.4
149.09648	1.0
155.08598	5.8
157.10156	4.8
159.11685	2.4
169.10170	5.0
171.11720	5.3
173.13223	1.4
181.10191	4.1
182.11021	1.6
183.11748	4.3
185.13312	1.4
189.95769	1.1
193.10225	1.0
194.11830	1.8
195.11746	4.3
197.13266	8.1
199.14915	1.4
209.13257	2.6
210.11241	100.0
211.14857	2.4
221.13129	1.0
225.12761	1.4
237.16620	1.4
248.15762	1.1
253.19586	4.7
255.17471	2.1
273.18652	1.5
281.19131	5.1
295.89560	1.1
299.20090	2.3
415.72028	1.3
501.18497	1.4
628.34875	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87879	1.3
57.62737	1.5
67.36677	1.4
81.07050	2.3
88.16149	1.3
91.05474	83.4
93.07038	2.2
95.04971	1.8
95.08586	8.1
97.05710	1.5
103.05456	1.8
105.07018	11.1
107.04929	3.3
107.08578	6.4
109.10145	3.6
115.28218	1.5
119.04939	16.1
119.08552	11.2
121.06517	2.6
121.10144	5.4
123.08112	2.5
124.01352	1.6
129.34561	1.5
131.08521	2.9
133.10124	7.8
134.09633	21.7
135.08093	1.8
135.11714	2.5
137.71396	1.6
143.08597	3.2
145.10103	7.2
147.11575	3.3
155.08542	3.4
159.11688	2.2
161.70679	1.4
169.10117	5.7
171.11711	6.7
183.11716	2.8
185.13264	2.5
194.11768	2.7
195.11794	1.7
197.13228	12.6
209.13356	2.1
210.11243	100.0
211.14824	2.3
253.19495	3.3
273.18472	2.6
281.18829	2.9
299.20020	1.6
364.86996	1.6
550.60547	1.8
610.34406	1.7
628.24457	4.1
628.34698	89.0
637.67310	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	628.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.04918	1.7
62.59586	1.6
67.15622	1.5
69.94322	1.9
74.60648	1.5
81.07066	2.1
83.08688	2.0
91.04903	3.4
91.05476	82.8
93.07059	3.5
95.04953	2.5
95.08540	6.0
105.07042	10.9
107.04956	3.5
107.08585	8.0
107.96099	1.5
109.10172	3.7
119.04939	16.2
119.08590	10.2
121.06506	1.8
121.10165	3.9
123.08031	2.0
131.08568	3.3
133.10118	7.8
134.09663	17.9
143.08620	2.1
145.10077	6.3
147.11684	2.7
155.08571	3.2
157.10080	6.9
159.11681	4.2
169.10120	3.7
171.11652	3.7
181.10085	2.5
182.99611	2.1
183.11719	3.2
194.11638	2.2
195.11589	2.3
197.13229	6.5
210.11243	100.0
211.14992	2.4
231.07445	1.7
253.19560	7.2
281.19000	3.3
299.20016	2.7
388.53473	1.9
466.68710	2.0
537.13507	2.0
555.83545	1.7
610.33954	3.4
628.34796	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.6
59.72188	0.4
67.05522	2.1
72.04534	0.7
77.03928	1.0
79.05503	1.0
81.03451	0.6
81.07055	1.1
82.14521	0.4
91.05476	100.0
93.07027	2.1
95.04964	5.3
95.08626	0.8
103.05450	2.8
105.03394	31.0
105.07027	7.9
107.08594	0.8
109.10168	0.5
117.07038	3.9
118.49032	0.5
119.04933	21.2
119.08527	3.0
121.06503	1.1
121.10094	2.0
129.06995	5.4
130.07715	0.5
131.08531	2.8
132.42125	0.5
133.10146	3.8
134.09647	52.6
135.11639	0.6
141.06961	0.7
141.60619	0.5
143.08557	4.1
145.06538	3.5
145.10065	2.2
148.11253	0.9
153.06949	2.5
155.08542	10.4
157.10133	3.5
158.07190	0.6
159.07925	0.9
165.05516	0.9
165.06966	13.0
166.07816	5.7
167.07161	0.9
167.08540	24.8
168.09248	1.1
169.10121	6.2
171.07976	0.4
171.11636	1.9
178.07718	4.6
179.08539	30.8
180.09329	16.7
181.10103	26.0
183.07953	0.9
183.11580	2.6
185.13182	2.2
187.11223	0.5
191.08469	0.6
192.09261	11.2
193.08470	0.9
193.10107	17.8
194.10899	39.9
195.07941	2.9
195.09991	0.7
195.11661	12.8
196.08751	0.7
197.09506	0.7
197.13158	2.9
203.08467	1.1
204.09337	7.8
206.10774	2.8
207.08003	0.9
207.11691	12.5
208.09358	2.9
208.12335	2.7
209.09660	1.6
209.13242	55.9
210.11243	85.9
211.11159	3.7
211.14680	2.9
213.12585	0.9
213.16214	0.7
219.09772	0.7
219.11668	11.5
221.09508	0.6
221.13261	5.9
222.10413	9.1
225.12671	0.9
227.14130	2.0
235.11160	0.8
237.12718	22.9
239.14299	7.1
241.19539	0.6
251.14198	0.6
253.12021	0.5
253.19386	0.8
255.13670	0.9
269.15302	0.8
269.18652	0.7
297.14847	7.1
299.19705	0.6
446.23227	19.7
455.01517	0.6
488.23795	0.9
506.25330	24.4
568.26050	0.6
603.23267	0.5
610.26068	1.0
628.27686	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67660	0.8
55.68416	0.9
62.99988	0.9
67.05502	1.2
68.15907	0.9
69.52776	1.0
78.18576	0.9
79.05493	4.3
81.07050	2.1
91.05475	76.8
93.07027	4.0
95.08603	7.3
103.05479	1.4
105.03382	1.1
105.07026	5.8
107.04948	22.6
107.08568	1.8
109.10154	1.4
112.68627	0.9
117.06958	1.2
119.04936	12.8
119.08556	7.9
121.10107	2.1
123.08048	7.2
131.08528	4.3
133.10136	2.5
134.09634	20.3
141.06934	1.2
145.10088	1.6
149.06000	1.7
155.08505	1.4
157.10083	5.0
159.11676	1.6
167.08588	2.1
169.10130	3.8
171.11697	1.6
173.09615	1.1
175.11139	1.4
179.08495	1.4
179.94038	1.2
180.09274	1.3
181.10123	5.8
183.11572	1.2
194.11905	13.9
195.62720	1.0
197.13341	1.9
199.09625	1.1
199.11136	9.0
207.11673	1.9
209.13272	7.5
210.11234	100.0
219.11676	1.1
219.28603	1.1
221.13304	1.3
222.10321	1.5
227.14359	5.7
237.12682	2.4
263.17877	1.5
281.19003	4.6
291.13629	1.0
299.20117	1.6
314.14713	1.1
628.33783	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45563	1.1
57.07059	0.9
67.05502	4.2
69.07062	1.3
77.24541	0.9
79.05495	1.2
81.07065	3.6
91.05476	82.4
92.18513	1.0
93.07040	4.2
95.04970	3.9
95.08586	6.8
103.05470	1.4
105.03570	0.9
105.07027	9.3
107.04945	1.5
107.08598	7.6
109.06529	1.7
109.10152	6.4
117.07013	1.3
119.04934	17.5
119.08563	9.9
121.06465	1.7
121.10175	2.1
123.08072	1.4
129.07024	1.3
131.08571	5.7
133.10120	7.5
134.09636	18.5
135.08057	1.3
135.11748	2.3
143.08521	1.5
145.10107	7.8
147.08035	1.3
147.11674	5.1
155.08577	5.1
156.09308	1.2
157.10143	7.7
159.11678	2.0
161.09572	1.3
167.08540	1.0
169.10168	6.5
171.11681	1.7
181.10098	1.6
182.10942	1.6
183.11717	2.2
185.13232	1.9
195.11725	1.6
197.13310	6.0
199.14821	1.3
207.11781	1.0
209.13280	2.3
210.11241	92.1
211.11259	1.4
211.14822	1.9
221.13445	1.1
223.14812	1.8
225.12915	1.4
239.14250	1.1
253.19576	2.0
255.17410	2.2
273.18506	3.9
281.19055	6.4
299.20004	2.3
309.79449	1.1
610.33856	3.5
628.34814	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	628.348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45237	1.3
56.87479	1.1
62.36685	1.2
62.92121	1.3
69.07050	2.1
79.05483	3.0
81.07035	2.3
83.08606	1.4
86.97971	1.3
87.31754	1.2
91.05471	100.0
91.56123	1.3
93.07053	1.7
95.04973	2.3
95.08603	2.8
97.06506	1.5
103.05463	1.6
105.03358	2.4
105.07056	9.7
107.04953	9.5
107.08577	6.5
109.10175	2.0
117.07030	1.5
119.04899	18.1
119.08567	16.1
121.06465	1.6
121.10136	6.1
123.11718	2.0
131.08542	8.8
131.19862	1.3
133.10129	5.8
134.09642	29.3
135.11674	3.0
142.07855	1.4
143.08571	3.2
145.10136	3.5
147.08069	2.5
147.11665	8.1
155.08574	7.5
157.10115	8.0
159.08144	1.4
159.11626	2.3
165.06979	1.6
167.08528	2.6
169.10161	5.5
171.11681	3.0
180.09247	1.7
181.10109	3.4
183.11679	7.1
185.13188	2.1
193.10234	1.6
194.11797	2.9
195.11742	5.5
197.13254	7.5
207.11636	2.1
209.13280	6.2
210.11230	94.3
211.14758	5.2
213.16391	1.6
251.17892	2.0
253.19519	2.5
255.17511	1.8
263.21780	1.7
273.18558	1.4
281.18964	2.8
283.64658	1.5
299.20105	1.8
432.88660	1.6
610.33881	26.3
628.34949	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94532	0.9
58.29819	0.9
62.56563	0.9
67.05504	4.2
75.36336	0.9
76.83122	1.1
79.05475	1.5
81.07069	1.8
86.45094	1.2
90.07080	0.9
91.05478	89.1
93.07040	4.1
95.08605	10.3
95.09122	1.1
103.05449	4.2
105.07051	10.8
107.04955	2.4
107.08607	7.7
109.06488	4.0
109.10132	1.6
115.29523	1.1
117.07035	2.0
119.04935	19.2
119.08564	15.1
120.25659	0.9
121.06493	1.3
121.10143	6.4
123.08054	9.4
123.11758	1.3
129.07034	1.8
131.04944	1.0
131.08571	6.0
133.10135	6.7
134.09634	22.6
135.11694	2.0
143.08565	4.9
145.10130	6.8
147.08058	2.4
147.11691	1.6
149.09642	4.9
157.10085	7.4
159.11679	4.2
163.11113	1.1
165.56587	1.1
169.10147	5.7
170.22635	1.2
171.11703	5.0
175.11192	2.3
181.10149	1.3
183.11684	1.7
195.11746	6.8
197.13255	2.5
209.13297	2.3
210.11241	100.0
211.11394	1.6
211.14824	2.0
221.13139	1.5
251.17955	2.2
253.19511	1.5
263.17868	1.5
269.18970	2.2
281.18945	2.5
299.20197	6.7
311.16519	2.1
340.50098	1.0
352.73090	1.0
359.22162	1.5
598.64954	1.1
628.34741	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12719	1.0
61.18824	1.1
74.06104	8.3
79.05477	2.6
81.07059	2.0
91.05482	100.0
93.07034	1.7
95.04958	4.4
95.08589	1.8
103.05481	2.0
105.03400	23.3
105.07037	5.8
107.08571	5.5
117.07075	1.6
119.04946	21.4
119.08600	7.6
121.06490	1.8
121.10139	5.7
125.52749	1.3
129.06985	2.4
131.08583	4.3
133.10153	7.7
134.09654	41.8
143.08580	4.5
145.06500	2.5
145.10129	5.1
149.09703	1.4
155.08525	7.6
157.10080	4.8
158.07135	1.3
159.11673	1.4
165.06958	7.8
166.07701	2.2
167.08565	14.5
169.10085	6.8
171.11671	4.6
173.13173	1.1
179.08516	20.1
180.09366	13.5
181.10130	17.2
183.11670	5.4
185.13197	1.7
192.09283	7.9
193.10159	10.1
194.10910	26.7
195.11662	8.1
197.13200	2.5
204.09328	7.4
207.11723	7.9
208.09709	1.4
209.09985	1.2
209.13258	34.8
210.11253	93.5
211.11244	1.2
211.14822	2.4
213.16406	1.8
219.11694	9.8
221.13206	2.5
222.10376	6.4
237.12703	15.2
238.10728	2.2
239.14348	3.9
271.20599	1.8
279.28223	1.2
297.14920	2.5
315.76541	1.1
331.15518	1.3
383.70203	1.1
446.23358	11.1
506.25089	9.8
518.01367	1.1
628.27698	19.6
628.34796	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08289	3.4
58.10155	3.9
67.05511	8.8
69.07051	7.5
75.48296	4.1
81.07042	24.6
81.96124	4.1
91.05462	5.5
92.18941	3.7
93.07030	5.9
95.08591	22.5
95.85123	4.0
109.10137	7.4
121.10118	6.1
122.96425	4.3
177.93866	3.9
251.20071	22.7
261.38306	4.7
279.23123	32.8
297.01880	5.0
297.24249	56.9
315.25259	37.8
547.43579	7.5
552.36206	4.2
565.44598	9.2
628.42181	7.1
628.51605	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	629.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85848	1.2
69.07054	1.8
72.16422	1.0
79.05493	2.1
83.04975	1.2
97.06520	9.4
117.20545	1.1
123.04412	6.1
125.05987	45.1
143.77727	1.2
147.04407	2.8
307.09665	4.7
335.05017	1.8
335.09113	54.8
336.09875	5.2
351.08710	6.4
352.09497	5.8
353.10211	14.1
363.08792	1.3
365.10254	1.9
375.08414	1.7
389.10147	4.6
403.15472	1.3
413.13611	1.3
431.14868	4.7
441.13635	1.3
445.16574	2.5
459.14380	4.5
477.15411	88.9
629.20111	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	629.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.42648	2.0
64.90410	1.9
67.05508	2.6
77.03935	2.2
79.05486	3.6
80.32741	2.1
81.03391	2.5
81.07032	3.4
91.05466	11.6
93.07047	23.4
95.04980	18.0
95.08619	4.7
105.03387	100.0
105.04476	3.1
105.07005	25.8
107.08578	12.5
109.06509	5.2
116.65067	2.1
119.08570	9.6
121.06495	18.4
121.10116	10.4
121.74883	2.1
123.04401	2.8
123.08055	5.2
127.17487	2.1
131.08563	9.1
133.06480	45.5
133.10123	25.8
134.07861	2.1
135.08041	4.5
137.05902	2.4
143.08533	3.5
145.06512	3.4
145.10120	8.5
147.04448	2.8
147.08061	11.6
149.05965	22.7
149.09593	13.4
151.07564	4.8
151.11148	3.4
155.08551	3.3
157.10162	5.3
159.08057	13.3
159.11710	3.9
161.09578	10.1
169.10069	3.1
169.74869	2.1
171.11685	3.1
173.06039	2.8
173.09511	3.1
175.07573	3.0
175.11179	4.1
177.09076	4.5
179.08498	4.0
179.47470	2.0
181.10063	3.6
183.11678	3.7
185.09593	3.8
187.11258	3.2
189.09148	3.5
193.10191	3.6
195.06520	13.4
195.11710	8.5
197.09673	2.5
197.13243	3.2
199.11076	3.2
207.11731	5.1
209.09633	2.7
211.11137	9.7
213.12689	3.7
220.12492	5.3
221.13181	3.5
222.10271	2.8
223.11111	3.6
225.09129	3.7
225.12790	5.3
227.10547	3.7
230.10809	2.5
233.09639	3.5
235.14859	11.0
237.12642	2.4
239.10709	3.3
239.14183	3.1
248.11961	8.8
251.10640	2.8
253.15884	2.8
263.14297	12.5
267.13766	2.5
276.11411	3.3
281.15344	14.3
291.13828	12.0
299.16476	10.4
309.14789	26.3
327.15820	44.4
337.01788	2.4
345.16858	16.4
369.16919	4.7
387.17856	19.6
497.64398	2.5
509.21460	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	629.2722
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.36536	1.3
67.31805	1.5
81.07060	2.1
89.78828	1.6
93.07026	1.9
95.08583	2.0
103.93386	1.5
105.07005	3.1
107.08608	2.2
111.46294	1.6
119.08574	2.1
121.10098	2.3
131.04962	2.8
133.10139	2.2
138.52698	1.8
143.08563	2.3
145.10126	2.8
153.07823	1.6
315.86163	1.8
327.62305	1.8
375.07516	1.7
439.20737	3.2
455.12152	1.9
528.84851	1.6
598.62183	1.7
629.27161	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	629.2723
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.20544	0.8
51.82154	0.9
55.26919	0.7
57.72760	0.8
81.62958	1.2
83.08597	1.1
91.05474	1.4
93.07026	1.7
95.08598	1.5
103.05450	1.7
105.07018	6.6
107.08566	1.0
109.06464	1.5
111.08102	1.1
117.52872	0.9
119.08583	12.1
121.10126	1.9
123.08057	1.4
123.93412	1.1
129.07025	1.0
131.04897	8.0
131.08554	2.0
133.10141	4.3
135.08095	1.8
137.09570	1.2
143.08563	3.9
145.10121	3.8
146.52138	0.9
149.09706	1.2
155.08580	1.1
157.10147	4.9
159.08054	1.2
159.11687	1.5
161.09575	0.9
163.11201	1.0
167.08551	1.6
169.10193	3.9
171.07957	1.0
171.11688	3.6
173.09610	1.1
175.11220	1.2
179.60271	0.8
181.10097	3.7
183.11705	3.5
185.09645	1.3
187.11200	1.9
195.11653	6.7
197.13246	1.1
199.11253	1.6
207.11734	1.5
209.13266	3.6
223.11279	1.3
225.12740	1.3
237.16289	1.8
251.17917	2.1
269.18866	3.9
279.17496	1.6
297.18488	2.1
314.92502	0.9
334.06171	0.9
389.67938	0.8
412.24289	1.0
421.19659	1.6
481.22156	8.5
629.27209	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	629.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28282	2.1
52.15554	2.3
59.04997	3.8
75.02520	2.3
93.07063	3.6
109.10147	16.7
117.63512	2.8
137.02260	2.7
137.09544	4.1
147.15816	2.7
149.02582	2.5
151.11169	12.8
179.06985	4.0
179.10733	3.6
187.11183	3.6
213.12807	2.7
215.10730	12.9
241.12202	3.8
243.10144	5.8
245.11684	12.8
255.17410	4.5
257.15491	2.8
259.13168	22.8
269.11685	3.6
301.01962	2.5
301.17841	2.8
311.70068	2.4
396.72498	2.5
428.69025	2.8
474.24960	2.7
500.78284	2.8
519.84192	2.8
547.25299	3.0
629.34735	100.0
629.45618	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	629.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45820	0.9
59.97669	0.8
64.28092	0.9
67.82455	0.9
69.67616	1.0
121.10091	1.7
132.19543	1.3
136.67322	1.1
148.26576	1.0
149.80022	1.0
170.26036	1.3
170.27632	1.0
179.07033	4.2
195.07925	1.3
197.09654	1.6
205.85399	1.1
211.11209	14.5
211.14882	1.2
213.09171	5.6
215.10693	2.5
221.09668	1.5
224.08340	5.6
225.09003	1.2
238.09941	6.5
239.10670	47.4
239.14410	3.6
241.08553	1.1
253.16008	6.2
255.10152	44.0
256.10925	3.9
257.11746	4.6
266.12909	1.6
281.15442	9.7
283.13510	4.0
298.15726	1.5
299.16415	100.0
629.34784	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	629.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86634	3.6
58.11115	4.1
58.51666	3.6
62.69922	4.4
66.75249	4.6
79.05482	7.0
79.92677	4.3
80.31714	4.4
81.07050	9.3
83.06116	34.4
83.39906	4.1
91.05473	7.9
93.07026	23.6
95.04969	18.5
95.08595	22.2
105.07003	20.8
107.08578	26.1
109.10182	7.4
117.06963	9.7
117.30444	4.1
119.08593	47.7
121.10120	10.7
131.08574	7.9
133.10115	92.9
135.08070	26.1
137.09651	4.9
142.18163	4.1
143.08572	9.3
145.10115	61.4
147.11639	5.9
155.08533	5.2
157.10054	17.1
159.11728	20.7
161.09616	23.9
163.11215	6.6
165.96667	4.9
169.10104	10.0
171.11732	10.5
173.13312	4.9
178.25392	4.5
181.10191	14.0
183.11710	8.5
194.10912	7.2
195.11700	20.4
196.12645	5.2
197.13290	6.3
209.13269	29.6
223.14885	28.5
265.19473	100.0
283.20563	17.4
325.21646	9.3
343.22824	7.8
385.23679	22.0
427.68625	5.3
541.33081	5.0
541.41754	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	630.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47753	2.2
75.17566	2.2
95.04962	4.3
105.03399	100.0
105.07027	9.5
105.28826	2.4
117.07008	3.2
119.08534	3.8
121.06480	2.4
121.10166	2.7
133.06447	3.8
143.08568	3.8
145.10194	2.7
149.05948	4.0
149.09717	3.4
155.08601	3.8
157.10199	3.6
169.10072	4.3
171.07988	3.4
171.11639	3.1
173.09660	2.6
179.08513	3.0
180.07523	2.9
180.09140	2.7
181.10098	5.1
183.11682	10.2
192.09341	23.5
193.10121	11.4
195.11678	6.2
197.13261	5.8
201.12279	2.5
205.10106	3.4
207.11674	39.5
209.09630	4.8
209.13394	3.6
211.11237	9.0
220.08882	12.1
223.11142	5.2
223.14929	3.0
225.12709	12.3
235.11169	27.4
237.12747	2.4
253.12233	15.8
265.15845	5.0
293.15393	11.4
311.16458	5.2
353.17508	9.8
413.19565	3.4
440.64871	3.4
520.62024	2.7
535.23083	4.2
537.21094	13.3
595.25317	26.2
606.83466	3.1
630.29443	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	630.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66833	5.8
57.05579	5.4
57.96916	5.9
58.03779	6.2
71.22860	6.7
86.47088	6.6
90.89411	6.3
93.07005	7.6
100.29418	6.6
105.07018	32.8
107.08578	9.9
113.37329	6.5
119.08573	8.9
131.63879	6.7
133.06494	8.6
135.08032	8.6
135.63811	7.7
147.08057	7.8
159.08046	13.0
161.09630	14.5
169.10112	11.7
173.09648	9.5
179.08565	12.1
182.10667	8.5
183.11714	13.3
195.11719	46.2
197.09572	8.8
197.13268	13.7
199.11145	8.9
207.11647	16.6
209.09616	7.3
209.13257	33.0
211.11192	25.5
219.11565	11.7
222.10487	12.2
225.12773	37.2
237.12631	61.1
249.16441	6.7
255.13780	56.6
265.15952	9.2
267.17313	7.6
277.15671	9.2
295.16901	46.4
297.14838	33.2
313.17950	16.6
355.18921	11.3
357.16953	29.7
375.17950	100.0
404.18088	7.1
415.21094	29.1
437.82718	7.2
535.25720	8.3
630.20404	9.2
630.32068	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	630.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07034	1.4
83.91624	1.0
91.05473	72.8
92.18484	1.7
93.07051	2.3
95.08617	2.3
103.05458	1.1
105.07026	2.0
107.04935	5.0
107.08593	4.8
109.10125	4.1
116.69745	1.0
119.04935	13.7
119.08555	6.4
121.10117	4.5
123.11745	1.4
131.08557	2.3
133.10124	2.1
134.09631	11.4
135.11676	4.3
135.17645	0.9
137.05983	1.8
137.13310	1.0
143.08437	1.3
145.10138	1.6
147.07985	1.4
147.11664	3.7
153.86076	0.9
157.10075	4.1
159.11668	1.6
163.11229	1.4
171.11653	2.0
181.10104	2.3
183.11630	1.0
185.13225	1.6
192.09981	0.9
194.11894	1.9
195.11711	1.7
196.65228	0.9
207.59625	1.0
209.13313	1.7
210.11224	100.0
223.14777	2.1
225.16241	1.1
237.86899	1.1
265.19412	7.1
283.20477	2.4
325.21548	1.1
343.22717	1.1
481.14923	1.2
630.36298	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80234	0.8
68.60755	0.8
78.94043	0.8
81.07042	1.2
91.05476	58.6
93.07030	3.5
95.04964	1.3
95.08612	1.8
100.15050	0.8
103.05474	1.1
105.07012	3.9
107.04951	3.4
107.08598	4.9
109.10145	1.6
110.42667	0.9
119.04925	11.9
119.08578	1.8
121.10123	4.7
131.08566	1.9
133.10138	5.5
134.09669	10.6
134.67273	0.9
135.11714	3.6
143.08481	1.0
145.10100	2.2
149.09634	1.1
155.08641	1.1
157.10141	2.0
159.11729	0.9
163.67482	0.8
169.10124	3.4
181.10150	1.4
183.11678	1.9
185.13168	1.3
194.11972	1.2
197.13313	1.7
199.14758	1.1
209.13213	2.1
210.11241	100.0
211.14888	1.8
222.14011	1.1
246.21866	0.9
253.19446	2.1
265.19440	2.0
283.20511	5.9
343.22458	1.6
361.23547	1.6
391.09021	1.0
420.66992	1.0
630.36224	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	630.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22218	0.8
58.81125	0.8
68.78973	0.9
81.07083	1.6
83.89729	0.9
86.90812	0.8
88.13429	0.9
91.04907	2.2
91.05475	66.6
93.07050	2.2
95.08620	3.5
105.07053	1.7
107.08634	2.1
119.04935	10.8
119.08620	4.4
121.10186	3.9
131.08574	3.9
133.10138	11.1
134.09621	12.7
135.11659	2.2
143.08580	1.1
145.10129	1.7
147.11725	1.2
155.08669	1.1
157.10190	4.8
159.11681	2.0
169.10167	4.3
171.11650	2.0
183.11655	1.9
184.08858	0.9
185.13344	1.9
197.13243	2.0
199.14761	1.4
209.13316	1.8
210.11244	100.0
211.14871	1.5
221.13385	0.9
223.14890	3.7
250.17348	1.0
253.19580	3.7
261.27829	0.8
265.19580	1.3
283.20538	3.6
323.42868	1.1
343.22736	1.2
361.23862	4.8
361.96109	1.0
630.36365	32.9
653.47845	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	630.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.66925	0.5
67.05494	1.4
67.29758	0.5
69.07074	1.1
73.29733	0.6
78.22105	0.6
79.05478	1.3
81.07057	3.5
83.08634	0.9
91.05478	77.3
93.07040	4.8
95.08607	4.2
102.36182	0.7
103.05471	3.0
105.07043	8.3
107.08588	7.6
109.10177	4.1
117.07007	0.8
119.04941	12.1
119.08581	11.9
121.06548	0.9
121.10144	7.6
123.11706	3.4
131.08589	4.3
132.08730	0.7
133.10129	10.5
134.09653	18.6
134.10635	1.0
135.08026	1.3
135.11661	4.5
137.13237	0.8
143.08572	3.3
145.10101	5.2
147.08084	3.0
147.11708	3.1
149.09698	0.9
155.08548	1.6
157.10126	6.6
159.11705	2.6
161.13196	0.8
164.10799	1.0
165.12776	2.7
169.10118	5.4
171.11745	5.7
173.13303	1.1
181.10036	2.8
183.11694	3.2
185.13280	3.0
195.11681	0.9
196.12454	0.9
197.13313	5.4
199.14857	1.1
208.12566	0.7
209.13332	3.6
210.11237	100.0
211.14856	1.6
213.16304	1.2
221.24637	0.6
223.14944	2.4
225.16296	1.2
241.19569	1.1
252.12405	0.9
253.19508	2.9
265.19772	1.1
271.20581	3.9
283.20718	3.5
301.21799	1.2
423.56042	0.8
532.43097	0.7
612.35205	7.0
630.36365	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
69.07069	1.6
69.11245	1.1
74.19503	1.1
81.07050	1.5
91.05479	92.1
92.05713	1.3
93.07026	1.9
95.04958	1.5
95.08605	5.2
103.05474	1.8
105.07037	8.7
107.08597	8.9
109.06500	1.4
109.10171	7.9
119.04933	18.6
119.08545	13.3
121.10154	7.3
123.11706	5.3
126.19230	1.2
129.06960	1.7
131.08575	2.7
133.10143	5.2
134.09642	21.7
135.11681	3.1
139.15021	1.2
143.08560	3.0
145.10117	7.6
147.08060	9.3
147.11711	4.8
152.27843	1.1
157.10164	5.2
159.11697	3.1
161.09627	1.9
169.10136	5.1
171.11662	2.1
181.10164	1.7
183.11716	5.7
185.13261	2.0
197.13292	5.3
199.14856	1.9
209.13333	5.7
210.11244	100.0
211.11575	2.3
211.14685	1.7
225.16362	3.1
227.14360	1.5
253.19493	3.2
264.08362	1.4
265.19464	1.4
267.12289	2.4
283.20615	4.9
301.21463	2.0
399.95853	1.5
414.25949	1.3
612.35406	5.5
630.36371	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25012	0.6
65.25374	0.6
67.05534	0.7
69.96600	0.7
79.05503	0.8
81.07054	3.0
91.05479	64.8
92.17833	1.4
93.07036	4.0
95.08614	1.3
102.03680	0.7
103.05460	1.3
105.07017	4.4
107.04955	3.3
107.08582	4.4
109.10145	2.8
119.04942	13.1
119.08599	5.5
121.10146	3.7
122.72424	0.8
131.08583	2.7
133.10126	6.6
134.09653	13.8
135.08083	0.7
135.11694	3.5
143.08583	1.0
144.43619	0.7
145.10143	2.9
147.11674	1.7
155.08537	1.2
155.66969	0.7
157.10112	3.8
159.11642	1.4
169.10056	2.7
171.11710	3.1
173.13298	1.7
173.50999	0.7
180.09451	0.8
181.10118	1.2
183.11671	1.7
185.13231	2.8
194.11678	0.9
195.11865	1.4
197.13254	4.3
199.14859	0.9
209.13278	3.1
210.11244	100.0
223.14769	3.0
250.16940	0.8
253.19547	3.5
265.19379	1.5
283.20648	1.6
361.23636	3.4
385.91910	0.7
630.36194	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	1.3
67.05496	1.7
79.05465	1.7
91.04903	3.1
91.05476	86.9
93.07033	3.5
93.43983	1.3
95.08571	3.3
103.05437	1.6
105.07024	8.6
107.08588	9.4
109.10134	5.9
113.40108	1.5
119.04929	17.7
119.08533	9.9
121.10136	7.6
123.11674	2.3
129.33780	1.4
131.08644	1.7
133.10126	10.7
134.09668	14.2
135.11720	6.6
137.15340	1.4
142.00685	1.4
143.08501	2.8
145.10110	6.0
147.11742	1.8
155.08569	1.6
157.10127	5.5
159.11603	2.1
164.10689	1.5
169.10106	5.4
171.11671	7.1
173.13168	2.2
183.11674	5.6
197.13300	6.8
199.14848	1.7
209.13365	1.8
210.11229	97.1
211.11542	2.3
211.14919	1.6
213.16405	1.3
241.19638	1.8
253.19592	1.7
271.20609	5.5
283.20694	2.0
289.86676	1.6
630.36310	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	630.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46862	0.9
67.05502	1.6
81.07052	5.1
83.08636	0.9
91.05478	81.3
92.05814	1.2
93.07047	3.9
95.04915	1.6
95.08625	4.1
98.68753	0.9
103.05467	1.4
103.91582	1.0
105.07015	6.7
107.08591	7.0
109.06512	1.1
109.10129	4.5
119.04941	16.0
119.08568	11.9
121.10137	7.6
123.11726	1.4
129.07068	1.0
131.08577	5.7
132.92708	0.8
133.10132	11.0
134.09647	19.3
135.11711	4.7
143.08540	4.2
145.10159	4.2
147.08052	1.9
147.11713	4.5
151.11264	0.9
155.08444	1.4
157.10118	7.0
159.11687	1.7
164.10640	1.1
165.05565	1.4
165.12762	2.2
169.10100	6.8
171.11705	2.2
173.13263	1.6
181.10117	1.5
183.11665	5.3
185.13251	3.4
197.13327	5.0
209.13229	2.2
210.11243	100.0
211.11603	2.1
211.14888	1.7
213.16360	1.4
223.14751	1.7
241.19562	1.0
253.19600	1.2
265.19418	1.1
271.20694	3.7
283.20505	4.1
301.21613	1.7
447.55826	1.0
612.35425	7.0
630.36310	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.66925	0.5
67.05494	1.4
67.29758	0.5
69.07074	1.1
73.29733	0.6
78.22105	0.6
79.05478	1.3
81.07057	3.5
83.08634	0.9
91.05478	77.3
93.07040	4.8
95.08607	4.2
102.36182	0.7
103.05471	3.0
105.07043	8.3
107.08588	7.6
109.10177	4.1
117.07007	0.8
119.04941	12.1
119.08581	11.9
121.06548	0.9
121.10144	7.6
123.11706	3.4
131.08589	4.3
132.08730	0.7
133.10129	10.5
134.09653	18.6
134.10635	1.0
135.08026	1.3
135.11661	4.5
137.13237	0.8
143.08572	3.3
145.10101	5.2
147.08084	3.0
147.11708	3.1
149.09698	0.9
155.08548	1.6
157.10126	6.6
159.11705	2.6
161.13196	0.8
164.10799	1.0
165.12776	2.7
169.10118	5.4
171.11745	5.7
173.13303	1.1
181.10036	2.8
183.11694	3.2
185.13280	3.0
195.11681	0.9
196.12454	0.9
197.13313	5.4
199.14857	1.1
208.12566	0.7
209.13332	3.6
210.11237	100.0
211.14856	1.6
213.16304	1.2
221.24637	0.6
223.14944	2.4
225.16296	1.2
241.19569	1.1
252.12405	0.9
253.19508	2.9
265.19772	1.1
271.20581	3.9
283.20718	3.5
301.21799	1.2
423.56042	0.8
532.43097	0.7
612.35205	7.0
630.36365	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.0
67.05499	1.2
67.96401	0.9
69.07044	1.0
79.05490	1.0
81.07060	1.1
91.05478	64.5
92.74827	1.1
93.07026	4.8
95.08632	2.0
105.07024	6.5
107.04941	2.0
107.08606	4.2
109.10157	2.2
119.04930	12.8
119.08591	5.2
121.10156	3.5
125.78701	0.9
131.08554	1.7
133.10121	9.2
134.09660	13.5
135.07997	1.2
135.11681	5.6
143.08559	1.6
145.10110	2.1
146.33670	0.9
147.11653	1.3
157.10117	2.2
159.11664	3.7
162.20541	0.9
169.10091	5.3
171.11690	1.8
181.10117	2.4
182.63574	1.1
183.11684	4.8
185.13214	3.8
195.11758	5.0
196.12465	0.9
197.13303	4.3
207.11694	1.5
209.13271	3.9
210.11244	100.0
211.14948	1.0
219.58571	1.0
223.14784	1.8
225.12799	1.5
237.12807	1.7
253.19528	2.0
255.14093	1.0
265.19522	4.0
283.20532	2.3
295.16855	1.7
338.17465	1.0
343.22711	1.1
361.23621	1.8
375.18146	1.9
382.44934	1.0
554.30035	1.1
630.36395	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26075	0.8
56.17448	0.7
57.07087	0.9
58.42730	0.8
61.70957	0.8
65.03922	1.0
67.05497	0.9
69.07079	1.4
79.05472	1.2
81.07042	2.0
91.05479	78.5
93.07035	1.7
95.08597	4.8
103.05475	1.8
105.07044	4.8
107.08614	7.5
109.10165	6.2
117.07037	1.9
119.04945	15.2
119.08581	11.2
121.10130	3.6
123.11684	1.3
129.07069	1.3
131.08551	6.1
133.10085	7.4
134.09653	19.4
135.11707	3.4
136.88412	0.8
143.08568	1.7
145.10127	5.4
147.08044	7.2
147.11707	4.2
149.09612	1.3
155.08589	4.3
157.10133	5.5
159.11707	4.1
161.09596	1.2
165.09093	0.9
169.10123	4.6
171.11687	3.8
175.11002	1.3
181.10086	1.8
182.10933	0.9
183.11710	5.4
185.13220	1.7
195.40233	0.9
197.13281	4.7
209.13284	1.8
210.11244	100.0
211.11668	1.1
211.14879	1.3
223.14842	1.1
225.16454	1.8
253.19516	3.2
265.19543	1.7
267.12219	1.6
283.20370	5.8
301.21799	1.2
546.98016	0.9
612.35248	4.5
630.36371	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79808	0.9
58.03400	0.8
67.96263	0.8
81.07082	1.7
84.69592	1.0
87.34460	1.1
88.35825	0.9
91.05475	69.7
93.07037	5.6
95.08593	4.0
103.05470	1.5
105.07008	3.8
107.04903	1.4
107.08591	5.3
109.10172	1.8
117.06985	1.5
119.04931	13.1
119.08610	7.1
121.10149	4.4
130.06293	1.0
131.08536	2.4
133.10095	7.9
134.09653	18.1
135.11708	1.6
137.09706	1.0
143.08568	2.2
147.11673	2.0
159.11639	1.8
169.10136	4.0
171.11682	2.0
181.10098	1.8
183.11636	2.3
185.13306	1.5
193.10130	1.5
195.11708	4.2
197.13298	4.7
199.14864	1.6
207.11717	1.3
209.13237	4.5
210.11241	100.0
211.14857	1.5
223.14836	1.9
235.15018	1.3
237.12717	5.7
253.12366	1.1
253.19576	3.8
255.13834	1.3
265.19608	2.4
277.15854	1.3
283.20575	5.7
327.64719	0.9
361.23868	4.6
417.19003	9.4
475.23126	1.1
576.66357	1.0
630.36340	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63124	0.8
78.11567	0.9
81.07073	1.6
91.04906	2.4
91.05479	68.0
93.07059	2.1
95.08605	1.1
105.07019	5.9
107.04947	6.0
107.08582	6.7
108.05264	1.0
119.04947	14.8
119.08580	6.8
121.10127	4.7
123.11673	2.4
131.08574	4.1
133.10124	8.0
134.09637	17.3
135.11681	1.7
143.08546	4.7
145.10081	3.9
147.11665	2.2
149.06021	1.1
155.08569	1.8
157.10117	2.4
159.11650	4.1
161.09566	1.4
169.10153	1.3
171.11623	1.4
181.10188	1.2
183.11737	1.5
185.13203	1.8
194.11780	4.4
195.11864	2.6
197.13281	4.1
199.14725	1.2
209.13251	1.9
210.11241	100.0
223.14810	2.4
225.12540	1.3
225.16408	1.1
235.14929	1.5
265.15839	1.4
265.19516	4.8
283.16751	1.8
283.20682	1.4
295.77231	1.1
301.17792	1.2
361.23743	1.3
597.79187	1.1
612.35571	9.3
630.36267	15.0
651.23279	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	631.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14902	0.2
51.82527	0.2
62.40696	0.3
75.16357	0.3
81.03406	1.8
85.02916	0.3
91.05477	1.5
102.16985	0.3
105.03365	0.4
107.04957	2.1
109.02837	0.7
109.60253	0.3
119.04933	8.0
121.02881	0.4
121.06560	0.5
123.04435	4.8
125.96783	0.3
127.03903	0.5
139.03906	12.8
147.04404	100.0
163.03928	0.4
165.01910	0.4
165.05449	2.0
191.03365	11.0
207.06464	0.7
243.06596	1.7
244.12109	0.6
247.04597	0.4
250.82089	0.3
271.05878	2.8
273.12354	3.8
279.55637	0.3
285.07489	2.8
291.08643	2.2
291.13464	0.7
309.09695	0.6
325.07080	0.7
328.73157	0.4
339.10794	0.5
341.12445	3.6
403.84833	0.3
437.12341	0.4
461.14401	1.5
479.15414	7.0
499.37720	0.3
631.21649	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	631.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99915	0.3
52.88395	0.3
68.31843	0.3
77.35171	0.4
81.03403	1.6
84.23600	0.3
91.05470	1.7
107.04978	1.4
109.02885	1.9
119.04930	7.6
121.06448	1.4
123.04425	4.9
127.03896	0.4
139.03894	9.7
141.26314	0.4
147.04402	100.0
163.03969	0.5
164.37639	0.4
165.05496	2.3
191.03386	10.0
207.06601	0.6
243.06566	1.8
271.06052	2.3
285.07605	2.1
291.08600	2.6
309.09787	0.7
341.12274	3.6
343.07947	0.4
361.11765	0.4
461.13910	1.4
479.15506	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	631.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43085	2.3
53.28431	2.4
54.26176	2.4
67.05505	2.9
69.03429	4.3
70.97573	2.7
79.05492	3.9
83.04994	2.7
91.05489	22.4
92.17982	3.2
93.07037	12.3
95.04979	21.2
95.08603	11.8
105.03394	100.0
105.04501	5.4
105.07010	19.4
107.04945	3.3
107.08564	4.4
109.06532	7.2
117.06997	2.9
119.04909	3.7
119.08575	17.7
121.06506	14.4
121.10098	5.6
123.04471	3.4
123.08054	15.6
125.06033	5.3
131.08560	5.3
133.06456	24.4
133.10112	15.0
135.08060	4.2
137.09622	4.5
143.08569	11.2
145.06444	3.6
145.10112	5.2
147.08035	7.0
149.05992	6.0
149.09636	4.8
151.07620	4.3
155.08568	5.1
157.10143	6.4
159.08076	11.2
161.05913	4.5
161.09619	15.9
167.08580	3.6
169.10211	10.3
171.08125	3.9
171.11691	3.9
173.09612	12.4
179.10677	7.3
181.10126	5.6
183.11693	6.9
184.34705	3.1
185.09610	5.9
186.10388	3.2
187.07397	3.5
187.11119	4.3
193.10127	4.7
195.11743	10.8
196.08875	3.6
197.09590	3.7
197.13258	4.4
199.11197	12.3
207.03880	3.0
207.10069	5.5
207.11819	5.8
209.09586	11.3
209.13269	4.1
210.11282	11.9
211.11331	3.5
219.11565	4.2
221.13095	3.3
223.11182	6.4
223.14949	3.2
225.12770	17.7
229.12277	6.1
235.14787	5.7
237.12767	4.9
237.16574	3.2
238.10068	3.5
239.10703	3.9
239.14355	11.6
248.11984	2.9
253.12218	13.3
253.15961	5.7
263.14282	12.9
265.15829	13.1
267.13943	4.1
271.13043	3.4
271.17059	3.6
275.14435	4.5
281.15250	4.8
293.15442	18.0
299.16394	3.7
309.14847	15.1
311.16443	16.9
317.17340	3.5
327.15900	33.8
329.17548	4.6
345.16855	25.8
371.18661	3.6
389.19531	12.1
391.17526	16.5
449.21524	18.9
631.36694	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	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53046	1.9
53.03939	2.5
53.28433	1.8
55.67657	1.9
55.88205	1.9
59.04990	2.6
61.62150	2.0
66.31973	2.2
81.07053	2.1
91.05487	3.6
93.07027	3.9
95.04962	10.6
95.08631	2.5
105.03391	100.0
105.04465	4.0
105.07026	10.1
107.08562	3.1
111.41081	2.0
117.07008	4.0
119.08578	3.4
124.24238	2.4
131.08546	4.5
133.06474	3.8
135.07948	3.0
143.08566	5.3
145.06458	2.8
145.10114	10.5
147.08025	2.6
155.08502	5.2
157.10126	3.9
159.08098	13.9
161.09579	4.8
166.07648	2.8
168.09401	2.7
169.10139	10.8
171.08118	3.4
173.09673	3.5
179.08543	5.3
181.10147	19.1
182.10892	3.2
183.11642	8.6
185.09636	3.5
192.09364	19.0
193.10144	10.1
195.08032	3.5
195.11656	16.8
197.09543	3.0
197.13245	13.2
199.11156	2.3
201.12784	2.5
206.10922	3.5
207.11716	21.9
208.12433	3.2
209.09608	13.5
209.13268	4.0
210.10442	3.5
211.11153	5.0
213.12790	3.3
221.13191	3.5
223.11197	9.1
223.14749	3.0
225.12689	22.8
227.10648	2.4
232.12364	2.3
235.11206	14.0
235.14801	2.9
236.11932	2.8
247.14940	4.5
250.13411	2.4
251.14253	3.2
253.12148	50.0
253.70851	2.2
265.15793	5.4
266.26321	2.2
267.13641	3.7
271.13318	5.5
272.81018	2.4
275.14337	3.3
283.16901	5.5
293.15347	13.8
306.17734	2.4
311.16388	25.9
313.14444	3.2
320.82797	3.0
329.17480	4.7
371.18567	5.1
375.15787	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	631.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69496	2.1
67.05490	4.1
67.29432	2.1
69.03429	2.6
69.07080	2.9
79.05467	3.0
81.07036	3.4
91.05458	26.9
92.05780	3.5
93.07023	11.1
95.04943	13.2
95.08563	3.5
105.03395	100.0
105.04459	3.0
105.07027	21.5
107.04986	3.8
107.08557	9.7
109.06479	5.6
109.10143	3.3
111.08061	3.1
117.06998	4.3
119.05005	3.0
119.08578	14.6
121.06506	10.7
121.10119	5.7
123.08035	5.0
125.09592	4.7
129.06973	3.8
131.08566	13.6
133.06445	14.0
133.10086	12.9
134.09650	3.1
135.08046	12.5
137.09599	4.3
143.08563	15.3
145.06451	3.6
145.10136	19.4
147.08046	5.7
149.05997	4.2
149.09622	4.6
155.08546	5.1
157.10107	14.6
159.08034	10.6
159.11716	10.0
161.09596	5.0
165.06905	3.5
169.10114	5.3
171.08083	4.4
171.11655	10.8
173.09680	3.0
175.07547	3.8
179.08574	3.4
181.10095	13.2
183.11707	10.7
185.09644	5.4
185.13251	3.6
189.12747	5.9
192.09334	3.6
193.10071	4.4
195.11713	19.6
197.09624	4.5
197.13260	4.3
199.11130	11.9
206.10860	3.4
207.11655	5.4
208.12469	6.0
209.09613	12.1
209.13246	5.4
210.11183	15.9
211.11418	4.4
213.09119	3.5
213.12685	4.5
217.10213	3.0
221.13295	5.4
223.11148	10.2
223.14803	6.3
225.08961	3.3
225.12675	4.1
227.10490	3.9
227.14278	5.0
235.10939	3.3
237.16371	4.6
241.12144	3.8
241.15910	5.5
247.14925	4.6
251.14201	4.5
253.12138	5.4
260.11780	3.2
265.15793	19.9
267.13605	4.9
269.15347	5.0
283.16867	13.4
287.16440	10.6
293.15344	22.8
311.16406	39.6
329.17496	18.8
371.18463	6.2
389.19476	3.7
423.59341	3.0
449.21725	5.5
493.22025	4.9
631.26898	22.3
631.36127	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	631.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.8
65.06653	1.3
65.07046	1.4
69.27298	1.4
76.79419	1.4
77.03929	1.7
77.74557	1.3
93.07050	2.1
93.26422	1.5
95.04975	11.6
105.03390	100.0
105.04507	3.6
105.07022	9.1
107.08568	3.1
119.04903	2.8
119.08559	2.7
121.06483	1.9
123.08062	1.7
133.06468	8.2
133.10095	2.0
143.08542	2.4
145.06415	2.7
145.10117	6.5
149.09625	1.8
155.08545	6.0
157.10127	6.0
159.07991	2.7
161.09570	2.8
163.11290	1.7
167.08556	3.3
169.10132	2.6
171.08070	1.7
180.09331	3.2
181.10074	9.1
183.08104	2.1
183.11693	11.8
185.09576	2.8
185.13242	1.5
192.09323	11.3
193.10178	3.6
195.11688	15.5
197.09639	3.5
197.13284	8.9
199.11215	8.5
205.10118	1.9
207.11690	19.1
208.12610	2.7
209.09683	10.8
209.13359	2.6
210.10378	2.7
211.11244	13.1
213.09152	2.1
213.12804	1.8
217.10175	1.8
220.08844	15.1
221.09633	2.5
221.13223	3.1
223.11171	15.3
223.14792	2.6
225.12758	8.3
227.10638	3.0
232.12457	7.0
233.09598	3.4
233.13310	1.9
235.11145	17.9
236.11980	1.7
237.16405	6.0
239.14243	2.3
241.12102	2.7
247.14801	9.9
250.13593	1.9
251.10664	3.0
251.14288	2.8
253.12234	14.4
255.10013	2.0
260.11923	20.4
263.14319	1.7
265.15927	17.1
272.28381	1.9
275.14285	12.1
283.17093	5.2
293.15381	22.2
295.13333	1.7
311.16443	14.8
313.14264	7.7
371.18536	1.8
373.16922	1.8
415.19046	6.4
475.20859	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	631.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12138	2.1
67.05499	2.7
69.03416	3.2
73.97554	1.8
77.03901	3.6
79.05484	11.2
81.07059	4.9
83.05001	3.5
83.08576	2.3
91.05472	11.6
93.07023	12.1
95.04952	17.6
95.08593	7.9
97.02832	2.4
105.03398	100.0
105.04475	7.0
105.07001	19.6
107.04927	2.7
107.08567	15.6
109.06521	8.9
109.10163	4.7
117.07036	3.2
119.08576	8.3
121.06502	12.0
121.10131	4.6
123.04418	3.3
123.08041	10.3
131.08565	9.4
133.06508	24.1
133.10104	18.2
135.04436	3.1
135.08076	9.8
137.09567	3.2
141.06953	3.3
143.08536	12.7
143.72321	2.2
145.06511	4.0
145.10126	14.7
147.08043	11.1
149.05986	9.6
149.09631	9.2
151.07625	2.2
155.08574	3.3
157.10123	7.9
159.08038	8.7
161.06039	3.0
161.09610	15.7
163.07466	2.5
163.11156	2.4
167.08577	5.0
169.10081	4.2
171.08018	4.1
171.11649	3.7
173.09659	4.7
175.07550	3.8
177.09138	3.4
178.06470	2.0
179.08476	2.4
179.10661	2.3
181.10098	11.2
183.08099	2.1
183.11713	5.1
185.09610	7.4
192.09245	4.2
193.10217	4.7
195.11740	14.2
197.09663	3.7
197.13309	7.8
198.10307	2.2
199.11252	8.4
205.10132	2.5
206.10855	3.0
207.11705	9.8
208.12544	2.0
209.09702	4.1
209.13258	8.7
211.11200	7.0
213.12749	7.9
218.10851	2.8
221.13208	4.3
223.11272	3.3
223.14697	4.7
225.12753	4.5
227.10815	2.3
232.12517	10.7
233.13390	2.4
235.11215	4.8
236.11967	3.9
237.16335	4.4
239.14384	2.3
239.90617	2.3
241.12279	3.9
247.14828	3.6
249.12688	3.6
250.13623	3.3
253.12259	7.8
265.15948	14.7
267.13870	3.7
269.15381	10.6
275.14609	2.8
281.15350	2.3
283.16898	12.6
287.16397	20.7
293.15341	18.4
311.16394	33.1
329.17609	18.2
345.53055	2.3
371.18521	8.5
389.19617	8.1
424.94727	2.3
449.21652	10.1
631.27649	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	631.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.0
61.26159	2.1
67.05508	3.8
69.03420	9.2
69.07057	2.4
77.03943	3.1
79.05473	4.3
80.16840	2.1
81.07064	5.3
85.02912	3.3
85.63451	2.0
89.88144	2.3
91.05480	49.1
92.05807	5.0
93.07039	26.6
95.04967	20.4
95.08608	13.9
103.05514	2.3
105.03398	100.0
105.04479	5.0
105.07031	31.3
107.04948	2.7
107.08585	10.7
109.06524	15.3
111.08035	2.9
117.04636	2.6
119.04913	13.1
119.08582	17.0
120.05226	2.5
121.06532	18.5
121.10123	14.4
123.04403	11.1
123.08044	16.8
125.05994	2.9
131.08585	11.4
133.06487	36.3
133.10117	23.1
134.09654	10.8
135.08078	2.8
135.11655	3.4
137.05933	5.6
137.09602	9.8
143.08580	5.6
145.06525	3.5
145.10127	5.6
147.04453	3.4
147.08028	9.6
149.05978	9.3
149.09671	3.9
151.07492	10.3
155.08543	5.1
157.10126	4.0
159.07990	18.7
159.11726	4.2
161.05916	2.9
161.09605	14.6
161.11148	2.0
163.07523	5.8
165.09068	9.0
167.08571	3.5
169.08669	2.5
169.10078	11.1
171.08041	3.9
173.09641	4.9
175.07553	3.8
175.11203	2.4
177.09084	3.2
179.08533	2.5
179.10643	10.3
183.11644	11.8
185.09610	5.0
187.07520	3.1
187.11232	5.3
193.10078	3.7
195.11572	2.6
197.09602	9.9
197.13287	5.1
199.11156	4.2
206.10909	8.7
207.10184	13.8
210.11256	26.1
210.13907	2.6
211.11510	22.9
211.14822	4.5
213.12778	2.7
215.10669	3.7
220.12422	3.7
221.13217	3.3
223.11209	3.9
225.09010	2.6
225.12834	4.2
227.10721	3.3
229.12177	4.3
234.10530	2.6
239.10762	4.9
239.14159	4.9
248.12065	4.6
253.15720	5.1
257.15540	2.5
258.28076	2.5
263.14316	5.2
271.16687	4.0
276.11371	2.7
281.15427	14.0
285.14746	2.3
299.16449	15.3
303.16129	3.8
309.14813	17.9
317.17627	2.8
327.15857	37.3
345.16882	45.5
353.61230	2.1
449.21432	15.4
631.36584	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	631.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89625	3.8
68.40257	3.4
81.07044	4.4
91.05440	4.3
119.08583	4.8
121.10145	3.9
122.58244	3.6
164.09065	3.7
191.35750	4.1
253.19592	4.2
322.57050	4.3
339.63858	4.2
502.57727	4.3
541.10846	4.4
571.26575	100.0
631.38202	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	632.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
58.30793	0.7
58.74864	0.7
62.65228	0.7
65.37739	1.0
69.03428	11.3
70.06588	1.8
78.03455	8.1
81.03413	21.5
82.94157	0.7
84.02914	1.0
85.02905	6.7
87.30751	0.8
91.05458	1.3
97.02893	6.0
99.04453	4.4
103.05450	1.6
106.02917	71.7
109.02871	16.2
112.07599	5.4
114.41409	0.9
119.04943	3.3
121.06445	1.1
123.04431	4.1
124.03946	100.0
127.03932	6.2
131.04936	19.8
137.05962	5.8
140.07066	1.2
147.04390	5.5
149.05957	4.6
151.07542	3.5
162.06694	3.3
163.07550	5.5
166.04793	0.9
175.07570	1.3
176.61490	1.0
177.05548	0.9
179.07059	1.1
225.26105	0.8
232.06102	1.0
250.07069	9.0
268.08118	35.3
434.14374	12.0
435.15143	6.7
584.21387	14.9
596.21204	3.4
614.22253	42.5
649.63196	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	632.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36801	1.8
53.07537	1.6
68.75434	2.0
69.11649	2.0
71.33215	1.8
71.33642	2.1
73.59443	1.8
78.03458	14.6
91.05476	4.6
93.07051	2.7
96.04450	2.8
105.03383	3.1
105.07030	7.3
106.02923	53.6
109.06523	2.7
110.43697	2.0
119.08607	2.6
121.06525	5.0
124.03946	100.0
133.06409	2.6
141.06990	2.8
143.08542	3.5
145.06432	2.7
146.39844	2.2
147.08014	2.4
149.05974	2.3
155.08560	12.3
156.09343	3.0
157.10144	4.8
159.08026	3.7
163.07553	3.1
165.05476	2.8
165.06888	2.6
167.08569	4.8
168.09407	2.5
168.43248	2.1
169.10110	12.5
171.08040	4.5
171.11626	2.7
173.09552	4.0
175.59824	2.1
179.08536	4.9
180.09300	3.7
181.10104	14.4
182.10834	3.7
183.08054	10.8
183.11652	15.2
184.08771	2.9
185.09703	3.2
192.09363	13.0
193.10100	8.3
195.08034	4.2
195.11722	18.2
196.08844	10.6
197.09621	23.2
197.13239	13.6
198.10353	2.4
199.07402	2.1
199.11171	42.8
205.10243	2.3
207.11668	19.0
208.09042	2.2
209.09636	14.6
209.12984	3.1
210.10332	8.6
211.11166	55.6
212.08258	5.1
213.12822	3.2
220.08858	5.2
223.11177	10.3
225.12715	37.4
227.10666	59.3
230.91553	2.2
235.11110	17.9
241.12212	10.1
253.12238	44.4
263.43857	2.1
265.15594	3.3
271.13214	16.9
295.13211	3.6
313.14389	30.5
337.31754	2.3
346.17432	3.0
418.16492	7.9
496.19434	3.4
596.24933	2.6
632.26837	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83962	3.1
50.84400	2.8
55.05537	3.1
57.93775	3.2
79.21449	3.5
82.50348	3.6
83.85728	3.5
85.61754	3.7
95.04967	4.4
103.51016	3.8
105.02748	6.4
105.03397	90.9
105.04486	3.5
105.07042	8.5
119.63978	3.6
133.06462	6.2
135.08064	6.2
138.59167	3.7
145.06464	4.6
155.08516	5.3
167.08551	4.6
169.10052	4.4
177.09077	7.3
179.08583	8.3
181.10104	21.2
183.11667	4.2
193.10173	4.8
194.10870	8.3
195.11691	7.4
199.11220	7.4
207.11780	8.3
209.13222	37.5
211.11232	6.7
219.11659	8.7
221.13235	5.7
222.10452	8.3
223.14999	3.9
230.93451	4.3
237.12741	100.0
255.13815	27.7
270.82941	3.6
277.15826	26.6
295.16968	22.7
297.14905	23.4
355.19000	7.1
459.21555	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	632.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37897	2.2
59.37795	2.5
64.36216	2.4
72.31226	2.9
75.72875	2.1
79.05470	2.9
82.20842	3.2
95.04942	5.7
100.27590	2.3
105.03392	78.5
107.08624	2.7
119.08507	3.2
157.10243	3.0
159.08070	3.6
161.09570	2.8
169.10118	3.7
171.07944	2.8
183.08101	2.9
185.09380	3.2
193.10144	4.6
199.11110	6.0
203.17035	3.3
207.11723	3.7
209.09581	3.4
211.11125	5.0
213.12480	3.5
223.11206	12.2
225.12766	5.2
227.10654	3.2
235.10999	3.5
241.12177	3.8
253.12294	3.2
311.16391	2.7
331.15375	100.0
359.83511	2.7
371.18515	4.1
433.20108	4.0
493.22357	5.6
536.66479	2.7
553.24249	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	632.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25600	1.1
55.05513	1.6
55.65353	1.4
67.05497	1.4
67.08889	1.4
69.03414	1.6
81.07043	1.7
81.49455	1.3
83.04974	3.3
84.55884	1.2
92.17683	1.8
95.04962	2.0
97.67277	1.4
100.79719	1.2
105.03365	11.9
105.07022	7.7
109.06527	3.2
117.07024	2.1
119.08586	2.8
123.08105	1.5
129.07028	1.5
131.08685	1.6
133.06485	2.9
135.08052	1.8
140.87877	1.3
143.08559	2.4
145.06468	2.3
145.10147	2.3
146.07219	1.5
147.08037	2.6
153.06940	1.3
157.10184	2.0
159.08009	2.2
161.09607	2.4
165.07077	1.8
166.99113	1.4
167.08559	8.2
168.09418	1.5
169.10106	7.2
171.07979	1.7
173.09627	2.9
179.08594	5.3
180.09474	1.8
181.10074	13.5
183.08171	1.7
183.11711	3.2
185.09583	2.8
191.08530	1.9
193.10127	7.4
194.10905	6.8
195.08107	1.9
195.11745	10.7
196.08852	2.1
197.09572	2.0
197.13200	2.0
197.83400	1.4
199.11082	3.3
204.09297	7.3
207.11729	7.0
209.09596	5.6
209.13272	20.9
211.11209	8.7
213.12796	2.7
219.11685	11.4
221.09615	1.6
222.10397	15.1
225.12778	5.7
225.16434	2.0
227.10811	1.8
227.14322	6.2
234.13892	2.0
235.11208	2.5
237.12717	55.3
249.16341	2.8
253.12105	1.9
255.13843	20.6
265.15750	1.8
267.17377	3.1
271.13235	1.5
277.15921	5.2
277.84750	1.3
295.16910	14.4
297.14841	8.4
313.18106	7.1
315.15897	100.0
331.19009	5.2
337.18024	2.2
355.19131	2.8
357.16812	2.2
373.20041	6.8
415.21127	5.8
433.22171	8.2
475.23505	2.0
582.44244	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	632.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23136	3.7
57.64437	3.5
87.98917	4.0
95.04945	6.7
105.03384	100.0
105.07014	7.5
109.25874	3.6
133.06461	6.0
143.08643	7.0
145.10051	4.9
155.08568	5.7
157.10083	15.9
167.08589	4.8
168.48643	4.6
169.10115	7.2
176.53514	3.9
179.08487	5.8
181.10121	18.2
183.11632	20.7
193.10130	5.0
195.11720	24.6
197.13374	4.5
204.27480	3.7
206.10854	5.0
207.11638	7.6
209.13298	17.5
211.11159	42.8
219.11662	5.4
223.14769	7.2
225.12711	6.8
233.13310	4.4
234.14131	6.3
237.12747	21.1
244.12401	9.1
247.15057	5.9
249.16389	17.9
251.14365	4.8
252.81979	4.6
259.14804	4.3
262.13794	3.8
267.17523	5.4
277.15781	15.0
295.16965	17.9
297.14853	16.5
337.17938	22.3
355.18942	7.2
397.20126	42.8
401.32068	3.8
457.21576	5.7
579.25970	9.1
591.22064	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	632.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80618	2.7
58.69496	2.5
65.46014	3.0
91.59907	3.2
93.07054	3.6
105.03394	100.0
105.06969	3.9
133.06465	4.7
135.08078	3.6
143.08575	6.3
145.10098	5.1
157.10159	6.0
175.33853	3.6
181.10118	6.9
183.11691	14.3
190.97462	3.5
195.11676	6.6
207.11708	8.0
209.13274	7.9
211.11224	17.7
225.12743	4.5
237.12837	6.9
249.16350	5.4
267.17645	4.2
277.15811	7.6
295.16977	6.5
359.16406	3.2
409.03140	3.5
432.03738	3.5
459.21552	17.6
519.23743	3.9
537.24847	4.6
621.64490	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	633.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72739	0.5
66.13168	0.5
71.04977	0.8
82.93156	0.7
85.02893	0.8
91.75015	0.6
123.04445	1.0
159.05667	0.6
185.04211	0.9
324.02328	8.0
325.03262	1.1
331.09851	6.2
449.21069	0.8
471.15408	2.7
534.89954	0.7
633.14197	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	633.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72496	3.7
52.57250	3.3
55.05506	3.7
59.44664	3.5
59.49270	3.5
67.05500	8.6
69.03418	4.7
69.07060	7.7
78.60612	3.6
79.05476	16.1
81.03423	18.1
81.07058	19.8
91.05465	23.7
93.07038	46.0
95.04970	31.9
95.08591	25.3
105.07009	35.3
107.08595	53.9
109.10133	8.8
117.07038	17.2
119.08579	44.4
121.10133	25.3
123.11680	8.0
128.06242	4.5
131.04919	3.9
131.08569	19.6
133.06447	6.4
133.10124	51.4
135.08043	100.0
135.11659	6.0
142.07768	4.3
143.08557	65.6
145.06306	4.8
145.10126	47.7
147.11656	8.2
152.58493	4.3
155.08691	9.4
156.09354	5.5
157.10117	26.8
159.11719	31.0
159.46596	3.8
161.09550	33.7
163.11205	3.9
167.08548	7.1
169.10165	19.9
171.11703	23.7
173.09648	4.5
173.13278	5.2
179.08618	6.7
181.10127	19.5
182.10704	5.1
183.11624	13.8
185.13289	15.1
187.14783	4.2
195.11723	24.8
196.12143	4.1
197.13295	4.4
207.11707	4.3
209.13252	21.2
213.12845	4.0
223.14810	18.1
265.19470	83.4
283.20544	32.9
343.22760	5.7
414.05957	3.8
453.17194	5.0
513.18658	4.8
531.20367	90.5
573.20184	9.6
573.27832	16.8
633.23682	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2523
Annotation	Ejap 5
Peak:m/z	Relative Intensity
51.29055	1.3
54.03933	1.3
56.91602	1.3
75.39368	1.3
75.62109	1.4
78.36046	1.5
79.05484	2.4
84.49248	1.6
91.05488	2.3
93.07062	1.9
94.45361	1.4
95.57602	1.6
105.07020	3.5
113.09088	1.6
117.06995	2.6
119.08553	2.5
121.06511	3.7
133.06465	3.1
133.10037	2.0
135.08041	3.3
137.05997	1.6
137.09557	2.0
145.10156	2.0
151.07562	1.6
159.07977	1.9
161.09715	2.2
163.07622	2.2
174.71236	1.6
175.11203	1.8
183.11662	1.8
195.11667	2.7
196.08641	1.9
223.11215	2.1
251.14407	1.7
257.12747	1.5
317.65466	2.0
440.21875	3.5
453.18744	6.5
513.20642	2.5
573.23029	83.7
633.25037	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	633.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87047	1.4
63.28183	1.3
64.28675	1.3
64.77735	1.1
66.82806	1.5
70.46579	1.3
79.05408	1.4
90.55396	1.3
91.05498	1.6
92.69750	1.6
94.57825	1.4
95.04959	1.7
105.07051	6.7
108.82764	1.4
119.08558	2.5
121.06444	2.7
121.10136	2.9
133.06479	2.4
135.08038	2.1
145.06403	1.7
155.08499	2.0
159.08070	2.8
161.09674	1.6
183.11803	1.4
202.55855	1.6
423.41251	1.6
513.21045	18.9
573.22968	100.0
633.24939	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	633.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36506	1.3
53.03939	2.5
64.51145	1.6
70.25146	1.6
73.32413	1.5
77.03909	3.0
77.93710	1.4
79.05502	2.7
81.07053	2.3
93.07034	7.3
95.04994	14.7
98.51673	1.9
105.03393	100.0
105.04510	6.2
105.07009	12.0
107.08593	3.6
119.08589	2.8
119.18727	1.8
121.06479	2.8
121.10148	2.0
131.08588	2.2
133.06462	6.7
133.10124	2.7
135.07957	2.4
143.08557	4.0
145.06396	2.1
145.10081	7.9
147.08009	2.7
149.09642	2.2
155.08545	4.0
157.10124	2.1
159.08047	4.1
161.09630	9.4
165.06946	2.0
169.10114	11.0
171.08020	1.9
171.11667	2.1
173.09598	6.9
181.10065	4.1
183.11726	2.9
185.09702	2.4
187.11238	2.0
193.10091	3.8
195.07898	2.0
195.11668	7.0
196.12602	2.4
197.09619	3.2
199.11211	12.8
201.12718	2.1
206.11021	2.1
207.11690	6.5
209.09583	7.4
209.13295	2.3
211.11163	3.2
213.09117	2.1
213.12680	3.0
223.11197	3.8
223.14801	2.7
223.81392	2.0
225.12749	8.3
227.10735	10.6
227.47635	2.3
235.11017	1.8
237.12665	2.7
237.16313	2.4
243.13936	1.7
246.99185	1.8
251.14337	3.4
253.12234	6.8
265.15872	8.2
271.13199	16.5
275.14041	1.8
283.16861	6.8
293.15381	8.2
311.16336	20.7
329.17505	3.4
331.15503	2.8
371.19052	2.2
433.19965	3.4
564.53723	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	633.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53693	1.5
53.03945	2.1
61.26198	1.5
74.46233	1.5
78.42216	1.9
81.07059	2.4
91.05467	2.0
92.17841	2.1
93.07027	3.2
95.04961	11.0
95.08536	1.5
105.03393	100.0
105.04510	3.8
105.07030	11.4
106.72195	1.5
109.06565	1.7
114.47946	1.7
119.08575	2.3
121.06521	4.0
123.04435	1.6
123.08065	2.2
133.06493	7.2
133.10123	5.8
135.08044	2.1
137.09552	1.7
145.06398	1.6
145.10104	3.0
147.04401	2.8
149.06061	1.7
155.08591	8.7
157.10114	7.6
159.08032	2.7
161.09602	7.2
167.08562	2.2
169.10126	8.3
171.11719	2.3
173.09560	2.6
173.53641	1.6
179.08539	3.2
180.09245	2.2
181.10130	8.2
183.11691	8.9
192.09344	3.0
193.10175	6.5
195.11707	10.8
197.09641	3.2
197.13269	14.7
199.11140	3.4
205.09981	1.9
207.11769	14.5
209.09608	3.3
209.13213	3.8
210.10452	3.0
211.11162	8.0
213.12703	2.2
223.11259	3.6
225.12733	18.1
227.10649	2.1
227.56035	1.7
232.12526	1.9
235.11195	6.9
247.14619	2.2
253.12183	15.3
265.15921	6.2
271.13242	3.6
275.14233	2.7
283.17041	3.3
293.15430	13.7
311.16318	16.4
329.17569	2.8
433.20029	3.9
456.70901	1.8
592.22180	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	633.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47363	0.5
69.11334	0.5
71.02679	0.4
81.93356	0.5
90.03091	0.5
96.69666	0.5
98.31473	0.5
101.57796	0.5
130.87854	0.5
137.42036	0.6
185.09671	0.8
197.09604	2.2
209.09607	4.2
211.07628	0.8
221.13423	0.8
224.12010	2.0
225.09132	4.6
226.09879	0.7
237.09105	8.0
239.14262	6.6
240.07845	0.8
241.12305	0.8
247.07661	1.3
249.12730	1.0
251.10632	0.8
251.14386	1.1
252.11424	3.7
253.08626	2.4
254.09407	3.2
255.10178	1.2
262.09915	1.1
265.08670	7.0
266.09326	1.0
267.13779	34.3
268.11011	3.9
269.11761	3.6
277.12241	1.1
279.10626	1.0
279.13828	3.0
280.10840	1.0
281.08347	5.6
281.11758	5.2
281.14685	0.9
283.16940	0.7
295.13254	31.2
296.10501	15.1
296.14114	6.6
297.11209	14.0
307.13358	2.6
309.11136	3.8
311.16455	4.1
321.14716	0.8
322.12027	0.6
323.12778	4.5
324.13596	9.0
337.14276	5.2
339.15915	100.0
547.67645	0.6
633.28503	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	58.5
69.07085	5.7
75.22277	4.3
81.03400	5.5
83.04982	100.0
91.05435	4.3
92.18536	5.8
93.07022	6.3
95.08596	4.6
105.07015	17.1
105.97901	4.2
107.08572	8.5
110.16537	4.0
119.08587	6.5
121.06440	5.6
123.08046	8.6
129.06987	5.9
131.08560	4.8
133.06508	48.1
143.08553	19.2
145.06497	5.2
147.08105	5.0
149.09601	7.4
155.08565	17.0
161.09589	6.3
165.06972	5.9
169.10068	28.3
171.08044	7.3
171.11748	7.6
179.08475	6.5
179.10695	5.1
180.09349	4.7
180.35553	4.7
181.10062	9.9
181.66344	4.2
182.10838	5.3
183.11638	10.0
187.11317	5.7
193.10188	8.7
195.11732	19.1
197.09570	17.5
197.13226	5.8
199.11176	25.8
204.78273	4.5
207.11641	9.4
209.09590	8.1
211.11191	19.5
213.12788	6.0
221.13277	4.9
223.11246	5.8
223.14786	16.3
225.12721	24.9
227.10667	38.4
235.11105	6.9
239.14284	7.6
247.14804	5.0
250.13516	8.1
251.14214	7.6
253.12260	19.5
260.12134	4.9
265.15903	18.5
269.11798	7.6
269.15231	6.6
271.13382	7.1
275.14191	7.8
283.17075	9.3
293.15341	43.1
311.16513	38.3
313.14359	6.2
329.17499	7.0
353.17374	20.0
371.18524	28.2
413.19345	8.1
431.20905	6.2
531.25836	8.2
615.16589	4.4
633.28766	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	633.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31631	9.6
51.11183	10.6
67.05496	18.1
81.07062	19.1
91.05484	16.8
93.07050	57.1
95.04941	19.9
95.08598	20.5
97.06532	20.4
105.07027	42.4
107.08606	53.1
109.06487	14.6
109.10130	24.4
119.08585	72.0
121.06503	21.1
131.08530	64.0
133.06456	16.7
133.10133	60.7
135.08066	81.8
137.09615	16.0
143.08522	100.0
145.10138	30.6
147.11703	15.8
149.09535	19.0
155.08548	49.5
157.10132	74.9
159.08054	46.8
159.11815	18.8
161.09563	24.7
167.08597	16.3
169.10126	94.4
171.08072	54.4
171.11682	24.1
173.09532	20.6
175.11243	13.8
179.08508	18.4
181.10115	29.0
183.11714	70.3
185.09695	18.9
187.11142	15.3
193.10080	29.4
194.10864	20.5
195.11693	26.1
197.09592	91.6
197.13264	17.4
198.34184	13.8
199.11189	23.7
207.11597	25.8
209.13222	58.9
211.11317	19.8
219.11816	17.3
223.14758	27.8
225.12733	44.7
225.16353	19.4
235.11089	12.5
235.14917	17.8
237.31215	15.3
238.13498	14.4
239.14279	20.7
249.16373	18.5
253.15862	24.0
265.19421	51.8
267.17563	44.9
276.46677	17.6
277.16083	16.8
283.20810	16.7
295.16983	84.4
313.18091	98.6
337.17966	14.4
355.19019	52.1
373.20132	50.8
430.09152	13.7
501.75073	13.9
531.20258	61.4
531.29004	25.9
617.25922	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	634.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.7
56.13258	1.2
59.53205	1.0
60.68314	1.0
61.80070	1.0
66.14809	1.1
66.44300	1.1
74.06082	40.0
79.05495	1.2
81.07037	1.8
82.88860	1.1
91.05484	24.5
93.07029	1.7
95.04945	1.2
95.08588	1.3
105.07033	6.3
109.06470	2.3
111.04437	1.5
117.05772	1.2
117.06979	4.3
119.04931	27.9
119.08563	6.2
120.08080	2.1
121.06539	2.0
123.08108	1.5
131.08583	2.8
131.96414	1.2
132.08086	48.6
133.10130	2.5
134.09564	1.5
135.08080	2.0
137.09605	1.7
142.81104	1.1
143.08545	2.9
145.10123	4.9
147.04413	5.5
147.08037	8.0
150.09138	74.1
155.08588	2.9
156.09332	2.0
157.06479	1.4
157.10135	2.1
159.08080	6.4
159.11682	2.8
160.07574	1.9
165.07043	1.7
165.46864	1.2
171.11710	9.1
173.00369	1.2
173.09534	1.4
173.13399	1.3
175.11249	1.5
177.09024	1.5
178.08658	13.8
179.08571	1.4
181.10081	6.4
183.11687	2.4
187.11150	2.0
191.32530	1.1
192.10194	84.6
193.10155	5.2
195.11719	1.5
199.11174	5.9
205.10066	1.4
206.10901	2.4
207.11723	6.7
213.12801	1.3
219.11694	5.2
220.09680	100.0
220.12102	3.2
221.22946	1.4
234.14021	2.1
235.11137	1.2
235.14882	1.3
238.10838	8.2
244.12556	1.6
247.11125	2.3
249.16429	6.2
262.13730	4.2
267.17450	6.1
277.15823	16.7
295.16962	22.5
310.97626	1.8
313.18085	1.8
337.17950	8.1
355.18814	5.4
397.20099	6.3
432.01920	1.2
468.72559	1.4
501.22360	1.7
561.24225	5.0
574.27264	2.0
634.29614	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	634.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	2.6
59.88431	2.7
65.34662	3.0
74.06083	26.6
74.06431	3.2
75.82705	2.9
91.05473	15.0
94.56894	3.6
95.04931	4.3
105.07034	3.6
119.04927	23.8
119.08603	3.8
132.08083	41.6
133.10139	30.3
143.08655	3.5
145.44475	3.6
147.04359	3.9
148.64485	3.2
150.09149	58.7
171.11684	4.6
178.08607	6.2
188.55498	3.0
192.10190	72.4
220.09691	100.0
238.10561	4.2
249.04169	3.2
274.39325	4.2
277.15845	5.2
295.16953	25.3
376.34058	3.4
381.12570	3.7
612.24591	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	635.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35047	1.0
54.37948	1.1
58.76878	1.2
79.40264	1.2
84.02802	1.1
90.95179	1.1
95.04954	5.1
101.69836	1.1
107.04955	32.8
112.46771	1.4
119.04935	27.7
121.02877	2.7
123.04416	8.2
125.02351	5.1
137.05963	3.0
141.05502	2.8
141.66328	1.3
141.93620	1.2
147.04384	18.9
153.00659	2.5
153.01822	42.4
153.05449	12.5
163.03934	6.3
165.05440	10.7
181.05011	9.1
185.05850	1.7
185.69492	1.2
195.02779	4.0
209.04466	5.7
213.09114	2.7
227.06944	1.4
241.08649	5.9
245.08081	100.0
249.03870	2.9
259.09677	5.1
269.08151	5.3
273.07611	27.1
287.09094	30.2
299.05463	1.5
301.07007	5.6
305.45059	1.3
315.05084	2.0
329.06641	9.0
331.08359	1.4
347.07584	2.1
453.08228	6.8
481.07864	10.5
493.07605	2.6
499.08786	18.9
511.08530	1.9
599.10870	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	635.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83913	0.9
70.89477	0.9
107.04964	1.2
123.04424	13.9
125.02324	4.3
127.03959	1.3
129.60713	1.0
135.04404	22.1
137.02339	6.4
137.06009	1.9
139.03899	16.0
141.05453	100.0
151.03813	1.6
153.01854	1.5
153.05446	12.1
159.04454	1.4
163.03906	26.2
165.05487	4.3
167.03407	1.9
179.03366	2.0
181.04887	7.1
183.77795	1.0
187.03964	2.3
193.04790	1.3
197.06056	1.2
205.04935	1.1
211.07652	1.2
215.06934	1.9
218.37221	1.1
241.08640	1.0
242.05899	1.5
243.06529	5.3
257.08109	6.7
259.05920	2.2
261.07553	46.2
285.07492	9.5
287.05432	12.7
288.06396	1.2
297.07306	1.2
299.05411	10.5
301.07065	2.5
303.05157	2.2
303.08539	21.0
313.07074	13.6
315.04987	7.4
317.06436	8.5
325.07321	2.1
329.06683	5.8
331.04410	11.7
333.05914	39.6
341.06439	2.3
345.06183	8.4
361.07001	6.9
375.07080	5.5
379.08087	1.5
389.06601	1.2
407.07803	5.0
439.10522	1.7
451.06677	5.5
453.08301	6.1
467.09717	1.6
483.08914	16.2
607.14008	1.4
635.13873	69.7
635.24628	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	635.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47720	4.4
71.15930	4.5
123.04413	43.5
139.03897	100.0
147.04410	19.2
151.03857	5.0
165.05437	6.4
179.07205	5.0
179.85786	5.3
207.06537	6.6
225.09039	5.2
228.74898	5.6
291.08603	62.2
339.65237	5.9
484.47925	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	635.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85602	4.5
61.11758	5.1
71.96899	4.7
93.07023	8.4
105.07018	25.2
113.72707	5.8
121.06483	21.2
121.10131	5.3
133.06444	9.7
133.10141	8.2
143.08533	11.6
145.10147	23.8
147.07988	7.3
157.10181	5.6
159.08063	8.9
161.09586	8.5
167.08498	6.8
169.10117	8.0
173.09654	22.6
178.97839	5.5
181.10159	30.6
183.11717	8.0
185.09605	6.5
187.11139	9.1
193.10159	11.5
195.11710	32.8
197.09584	6.8
197.13329	6.2
199.11301	11.2
205.10164	11.9
206.10939	10.4
207.11636	22.0
209.09595	21.5
209.13301	10.9
211.11148	6.5
213.12617	7.5
217.10112	36.6
218.10945	8.5
219.11644	6.8
221.13261	20.8
223.11160	29.7
223.14844	11.5
227.10670	11.0
227.14287	6.9
230.10855	17.4
231.11600	12.1
232.12483	53.7
233.09778	8.6
233.13255	10.9
235.11195	8.7
235.14931	11.3
236.11952	8.9
237.08968	7.1
237.12762	9.2
237.16391	21.5
239.14185	10.4
245.09741	9.8
245.13222	10.8
247.14790	76.9
249.12802	19.2
250.13156	7.2
251.10625	7.8
251.14250	11.1
257.13306	9.3
260.11923	48.5
263.14291	12.2
265.15848	70.1
269.15378	5.6
275.14264	97.2
281.15356	10.0
283.16904	20.5
288.77475	5.1
293.15375	100.0
311.16266	53.2
335.16418	25.1
353.17419	51.3
371.18558	20.7
395.18481	6.6
413.19534	27.1
431.20813	7.4
455.20462	9.6
463.27890	5.1
473.21667	8.2
491.22742	9.8
624.97809	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	635.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	56.8
56.05049	2.3
62.35240	2.4
65.03858	2.8
67.05494	3.4
69.07076	3.7
74.06098	17.9
77.03918	2.5
79.05519	4.5
81.07064	4.5
83.04983	81.4
83.22944	2.4
91.05455	16.5
92.17858	5.0
93.07041	3.5
95.04984	17.0
95.08612	9.7
105.03394	100.0
105.04504	4.3
105.07036	20.5
107.08603	11.0
117.07008	4.2
118.34402	2.2
119.04937	14.5
119.08559	15.3
121.06512	5.0
121.10105	3.8
131.08542	11.0
132.08104	23.1
132.27226	2.6
133.06499	10.8
133.08475	5.0
133.10132	15.2
135.08031	10.0
137.09576	3.4
143.08545	5.5
145.06499	9.9
145.10081	2.5
147.08052	5.1
149.09598	3.4
150.09114	27.7
151.09462	11.8
155.08577	3.9
157.10098	3.3
159.08044	10.1
159.11674	3.3
161.09612	24.9
169.10159	5.2
171.08026	2.9
171.11655	3.3
172.12019	2.4
173.09583	4.5
179.08600	4.4
179.10739	3.3
180.09386	2.7
181.10135	13.9
182.10960	2.5
183.11732	5.0
185.09659	2.6
185.13162	4.3
187.11203	5.0
189.12753	3.5
192.10223	37.0
193.10435	18.6
194.10921	3.1
195.11729	16.1
199.11163	3.8
205.10104	3.4
206.10878	4.1
207.11693	13.5
209.09584	5.2
209.13234	5.2
211.11179	5.1
211.14717	2.8
217.10150	3.6
218.10846	3.8
220.09698	43.2
221.10028	24.7
221.13240	5.3
222.13766	3.4
223.11134	13.5
223.14853	10.9
232.12495	4.6
233.13237	10.4
236.12038	3.0
237.12682	2.6
237.16380	5.1
238.10840	3.5
239.10672	2.7
247.14856	4.2
248.11722	2.9
249.12494	2.7
250.13554	3.4
251.14340	12.8
260.11896	3.4
263.14252	4.4
265.15799	19.2
267.13760	4.1
275.14310	14.0
278.13104	3.4
278.16141	3.6
281.15500	4.3
283.16916	4.2
293.15302	37.4
295.17007	10.3
296.17160	4.3
311.16345	32.6
329.17401	12.1
353.17474	15.3
371.18527	4.0
433.20016	10.3
493.22128	19.5
493.61896	2.8
500.61328	2.6
533.24933	2.5
542.13879	2.6
635.29724	10.0
635.38690	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	636.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11167	0.6
53.42508	0.6
67.05491	1.8
69.07063	1.0
72.04503	1.8
79.05492	10.4
81.07060	1.7
85.15855	0.9
88.07652	5.3
91.05463	2.9
93.07026	4.2
95.04966	1.5
95.08623	1.6
96.12474	0.8
102.80279	0.8
105.07018	6.3
107.04951	100.0
107.08576	4.6
109.10139	4.8
117.06991	0.9
119.08575	10.1
121.10107	3.5
123.11695	0.8
131.08562	5.9
133.10103	11.8
134.09654	30.3
141.07001	1.0
142.07808	1.4
143.08534	7.2
145.10094	5.3
147.08057	1.5
147.11743	1.9
149.05959	17.6
155.08553	4.5
156.79408	0.8
157.10127	8.4
159.11688	3.4
161.09645	1.3
167.08620	1.5
169.10086	5.7
170.10849	1.2
171.11693	7.2
173.09642	0.9
173.13263	1.1
181.10136	4.5
183.11682	5.7
185.13210	1.7
187.11258	1.4
192.10362	0.9
193.10185	4.0
194.11769	71.0
195.11691	5.6
197.09685	0.8
197.13206	1.4
203.80290	0.8
206.10883	3.1
207.11700	4.8
208.12460	1.0
209.13298	7.2
211.11217	0.9
211.14864	1.9
219.11696	2.7
220.12436	0.8
221.13254	8.3
223.14806	3.1
225.12524	1.0
233.13280	3.0
234.13928	1.6
235.14684	0.9
237.16400	1.8
239.14055	0.9
239.18031	0.9
248.15623	3.6
251.18048	0.9
253.19591	1.1
263.17950	13.3
265.19501	1.6
281.18930	9.3
283.20612	1.5
299.20187	1.7
323.20053	3.0
341.21207	1.7
516.31036	4.2
534.31616	1.2
576.33167	0.9
594.34113	4.1
636.35278	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36741	0.5
50.44537	0.5
55.05497	1.1
67.05503	0.9
69.07069	1.4
72.04491	2.6
74.80354	0.6
79.05495	7.9
81.07052	1.3
81.21399	0.6
83.08600	0.7
88.07625	4.9
91.05479	2.6
93.07038	4.6
93.76775	0.6
95.04982	1.0
95.08591	3.5
105.07032	6.6
107.04951	100.0
107.08606	4.8
109.10156	3.8
117.06991	1.2
117.70644	0.5
119.08570	9.3
121.10130	1.3
126.16762	0.5
128.06239	0.8
129.06999	2.3
131.04886	1.0
131.08545	4.7
133.10129	10.8
134.09651	27.8
135.11685	2.4
142.07709	1.0
143.08524	5.4
145.10100	5.2
147.08051	0.7
147.11729	1.2
149.05981	15.5
155.07452	0.6
155.08553	4.4
157.10078	7.7
159.11693	3.2
161.09634	2.6
166.07730	0.8
167.08482	1.0
169.10106	5.6
171.11737	4.1
173.09616	3.0
179.08562	1.3
181.10101	4.8
182.11118	0.7
183.11664	6.8
185.09633	1.3
185.13292	3.2
187.11198	0.9
192.10155	3.9
193.10155	3.7
194.11766	66.4
195.11655	4.8
197.13316	1.4
199.11174	1.0
201.12752	0.7
206.10887	4.2
207.11746	5.8
208.12440	1.0
209.13232	6.5
211.11147	1.3
211.14864	1.1
219.11600	0.8
220.12440	0.9
221.13205	6.6
223.14819	2.9
225.12613	0.8
225.16496	0.6
233.13260	3.1
234.14046	2.5
235.14749	1.1
237.16345	2.8
239.14241	0.8
239.17979	0.9
248.15630	3.4
253.19490	2.6
263.17896	12.8
265.19525	0.8
281.19000	8.3
299.20050	0.8
323.19937	1.1
341.21228	2.6
383.22144	0.8
443.24533	0.7
445.02573	0.7
516.31061	4.0
534.32709	0.8
594.33722	4.5
636.35272	74.4
646.20508	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	636.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43461	0.4
53.42339	0.6
54.37162	0.5
55.05518	0.6
56.06994	0.5
66.44836	0.5
66.71700	0.5
67.05509	0.8
69.07069	0.6
72.04519	2.4
79.05495	7.9
80.80128	0.5
81.07065	3.5
83.08622	1.0
88.07639	3.8
91.05498	1.2
93.07055	3.2
95.08621	2.3
103.05468	0.7
105.07036	6.3
107.04952	100.0
107.08604	3.2
109.06542	0.8
109.10157	3.0
115.05525	0.5
117.07017	1.2
119.08593	8.3
121.10168	3.4
123.11684	0.6
129.06999	1.0
131.04878	0.9
131.08521	4.5
132.28990	0.6
133.10121	11.9
134.09645	29.5
135.08061	1.0
135.11755	2.3
141.92308	0.5
142.07805	0.8
143.08556	6.5
145.10112	6.0
147.08022	1.2
147.11684	1.3
149.05963	17.2
155.08585	3.7
157.10124	7.2
159.11726	3.8
161.09647	3.0
165.06895	0.8
167.08607	2.3
169.10085	5.8
171.11638	4.2
173.09586	1.0
173.13333	0.8
175.11186	1.0
179.08640	0.9
181.10114	3.2
183.11671	4.6
185.09622	1.2
185.13277	2.5
187.11223	1.2
192.10222	3.2
193.10229	3.6
194.11754	69.2
195.11681	4.2
197.13316	3.7
199.11258	0.6
206.10945	2.8
207.11656	6.2
208.12518	1.4
209.13184	7.0
211.14780	2.0
219.11705	1.0
220.12566	1.4
221.13269	6.9
222.14095	1.2
223.14880	2.8
225.24445	0.6
233.13309	2.5
234.14156	2.6
235.14845	1.1
237.16400	3.0
239.17955	0.6
248.15619	3.3
253.19521	1.2
263.17911	13.6
265.19431	1.3
281.18964	8.4
283.20538	0.9
299.20044	1.3
323.20096	2.6
341.21182	1.3
401.23245	0.7
443.24472	1.1
516.30884	4.1
534.31525	0.7
594.34515	4.8
636.35291	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84264	0.8
57.40163	0.9
74.19035	1.2
78.47608	1.0
78.92776	1.0
79.05499	5.5
92.18515	2.3
93.07038	2.0
95.04993	2.0
95.08607	6.3
105.07027	6.0
107.04954	79.9
107.08575	1.3
109.06499	1.1
109.10159	1.4
119.08576	5.6
121.10145	1.4
133.10068	8.5
134.09659	4.6
143.08575	7.7
145.10135	6.1
149.05968	17.1
155.08560	2.6
157.10141	6.8
161.09561	1.6
169.10110	4.9
171.11700	2.2
179.08606	1.8
181.10225	4.0
183.11647	4.0
185.09731	1.9
193.10066	1.5
194.11772	61.6
195.11723	6.2
197.13359	4.2
206.10999	4.5
207.11716	5.8
208.12527	1.7
209.13252	11.2
211.14986	1.6
219.11606	2.2
220.12376	1.8
221.13316	7.1
225.12895	1.8
233.13362	1.4
248.15662	2.4
263.17871	10.9
281.18961	11.3
299.19925	1.7
323.19986	2.7
341.21011	2.4
559.34479	1.2
636.35352	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	636.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17168	4.0
54.56171	4.0
82.51800	5.1
82.90806	4.3
87.39582	4.8
179.08588	5.6
207.29863	5.7
263.18002	7.1
281.19107	10.3
398.29782	5.6
636.35236	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	637.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60842	0.9
79.85568	0.9
80.91687	1.0
81.07040	1.5
95.04958	2.0
105.03378	20.2
105.07027	4.9
107.04939	1.2
109.06480	1.0
119.08578	7.9
121.06375	0.9
133.06519	1.8
135.08080	1.2
143.08554	1.5
145.10020	1.7
149.05956	1.1
155.08588	2.2
157.10159	1.4
161.09622	4.4
165.06998	1.0
167.08536	4.6
169.10101	2.3
179.08719	2.9
179.10403	1.0
181.10135	2.0
183.11728	3.8
193.10117	2.2
194.10951	4.1
195.11644	2.0
207.11670	3.9
209.13229	11.6
211.11122	4.5
219.11809	1.4
222.10486	1.3
225.12692	1.5
227.14404	2.0
235.11011	1.4
237.12697	6.9
255.13808	1.9
267.17444	1.1
337.14099	1.2
577.24170	4.7
611.37030	1.2
637.26123	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	637.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60842	0.9
79.85568	0.9
80.91687	1.0
81.07040	1.5
95.04958	2.0
105.03378	20.2
105.07027	4.9
107.04939	1.2
109.06480	1.0
119.08578	7.9
121.06375	0.9
133.06519	1.8
135.08080	1.2
143.08554	1.5
145.10020	1.7
149.05956	1.1
155.08588	2.2
157.10159	1.4
161.09622	4.4
165.06998	1.0
167.08536	4.6
169.10101	2.3
179.08719	2.9
179.10403	1.0
181.10135	2.0
183.11728	3.8
193.10117	2.2
194.10951	4.1
195.11644	2.0
207.11670	3.9
209.13229	11.6
211.11122	4.5
219.11809	1.4
222.10486	1.3
225.12692	1.5
227.14404	2.0
235.11011	1.4
237.12697	6.9
255.13808	1.9
267.17444	1.1
337.14099	1.2
577.24170	4.7
611.37030	1.2
637.26123	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	637.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57116	3.3
51.02033	3.6
53.76090	4.0
58.54052	3.8
69.07047	4.6
79.05492	5.3
81.81423	4.2
83.04954	4.9
84.67548	4.8
91.05451	5.5
93.07043	8.7
95.04949	4.9
100.64856	4.1
105.07066	43.4
107.08592	24.1
109.06474	6.1
109.10159	6.4
110.65147	4.1
119.08586	26.1
121.06506	4.2
121.10130	10.2
129.07014	6.9
131.08562	24.9
133.06497	25.7
133.10127	21.3
135.08064	5.7
137.09654	6.2
143.08575	25.6
145.06499	7.7
145.10109	17.4
147.08052	19.2
147.11641	5.2
155.08513	10.1
156.09247	4.6
157.10126	21.5
158.07782	4.8
159.08026	10.2
159.11620	7.7
161.09604	5.5
165.06845	5.5
167.08580	6.4
169.10098	21.6
170.10736	4.9
171.08014	9.0
173.09618	6.3
175.07532	10.5
179.08601	9.1
181.10088	22.6
183.11626	15.6
185.09579	8.4
192.09294	15.9
193.10190	33.8
194.10910	5.3
195.11713	31.9
197.09622	27.3
197.13394	5.8
199.11133	4.9
205.10193	6.1
206.10851	6.2
207.08026	4.7
207.11646	52.8
208.12329	6.4
208.87221	4.7
209.09612	9.5
209.13211	18.3
211.11119	10.0
211.81638	4.9
213.12723	7.5
217.10428	5.1
219.11688	24.5
220.12564	18.9
221.09618	7.3
221.13263	22.6
223.11166	22.5
225.12718	9.4
229.10158	6.7
232.12502	5.5
233.13414	4.6
234.14026	43.6
235.11137	19.8
235.14912	6.7
237.16525	6.2
239.17937	5.4
240.97827	4.6
244.12477	35.5
247.11160	10.1
247.14815	17.8
248.11905	4.2
249.16350	65.1
250.13799	4.8
251.14377	7.2
253.12210	5.2
253.15843	8.9
259.14639	33.4
262.13483	21.2
265.15707	8.8
267.17603	31.5
277.15833	100.0
295.16937	79.1
299.97717	4.3
313.17972	24.5
329.72720	4.6
337.17981	29.6
343.19037	5.1
355.18948	37.8
397.20169	17.8
415.21439	8.3
457.22278	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.07082	24.6
60.33895	0.5
63.07895	0.4
67.32167	0.4
68.00745	0.5
69.07037	0.6
75.60693	0.4
83.04498	1.0
83.04980	23.3
91.05471	3.3
104.80939	0.5
105.07020	0.8
119.08543	1.0
133.10136	2.0
141.07010	2.5
147.11685	19.9
151.01552	2.5
159.08037	2.3
161.13310	1.8
163.01537	4.5
169.07581	1.2
175.01576	2.9
189.16408	0.7
221.03658	0.8
227.04712	3.4
239.04686	11.2
254.98120	0.6
260.99255	2.0
268.21463	0.5
295.10938	2.3
304.62573	0.6
337.02335	66.6
393.08633	17.7
413.05551	3.0
469.11890	8.7
525.17981	10.0
581.24249	45.1
637.30499	100.0
646.94934	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	637.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32533	1.0
58.98582	1.2
59.48256	1.0
67.05517	2.1
67.39898	1.4
69.07066	1.4
70.68217	1.3
75.75522	1.1
76.47350	1.3
79.05485	8.0
81.07048	5.5
91.05470	1.4
93.07033	5.7
95.08595	15.3
105.07023	6.5
107.04955	100.0
107.08604	8.9
109.10149	1.5
115.80116	1.3
117.06997	1.7
119.08576	7.9
121.10111	3.1
123.08046	18.5
123.11683	2.2
130.89015	1.1
131.08545	1.5
133.10136	5.8
134.09631	4.6
135.11629	1.5
135.63647	1.2
143.08556	2.1
145.10098	5.5
149.05972	21.9
155.08543	1.6
157.10141	2.0
159.11722	1.9
163.11205	1.3
175.11182	1.4
181.10170	1.5
183.11615	1.6
194.11766	82.6
195.11771	5.1
208.12460	1.4
209.13403	2.6
235.14920	2.6
251.17920	2.2
253.15852	1.7
269.19031	1.7
270.69522	1.6
307.98355	1.4
324.19604	7.2
468.18597	1.8
619.27570	2.3
637.34857	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.0
57.03444	5.7
58.67495	4.2
61.56953	4.8
67.05505	56.7
69.03426	5.6
69.07024	6.8
79.05494	50.4
81.03419	22.9
81.07066	60.5
83.04967	11.6
83.08607	6.4
91.05490	43.5
93.07043	63.3
95.04981	12.1
95.08600	25.1
97.06527	7.2
105.03396	19.4
105.07051	40.8
107.08582	33.5
110.26515	5.3
111.08080	7.4
117.07013	11.6
119.08575	11.3
121.10110	10.9
127.93459	4.6
129.07057	10.5
131.08562	6.4
133.06471	7.2
133.10127	19.9
134.43430	5.4
143.08514	6.2
145.10118	8.4
147.11674	23.1
149.13232	10.1
159.11697	5.8
161.13196	5.7
171.11760	10.4
189.12782	7.9
205.08609	7.5
269.17264	9.2
281.17471	20.2
301.39560	4.7
475.30499	100.0
485.28885	12.0
598.44659	5.6
619.34851	37.4
637.34271	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	637.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78295	1.9
54.34877	1.5
55.05511	4.8
55.12945	1.8
57.03443	25.2
57.07084	37.0
58.54646	1.8
60.18251	1.7
61.02932	61.4
67.05502	10.1
69.03422	17.0
69.07077	10.6
70.41454	2.4
71.04998	3.3
71.08625	28.6
73.02924	18.9
81.03417	18.5
81.06647	2.3
81.07053	19.7
83.04959	2.5
83.08608	10.7
85.02907	80.0
85.10175	16.5
87.04446	2.4
89.06006	2.5
91.03948	42.9
93.07018	2.2
95.08610	29.8
97.02888	68.4
97.10168	4.9
99.04437	11.3
101.02383	8.6
103.03958	9.1
103.07619	2.4
107.08617	2.8
107.37489	2.0
109.02876	13.8
109.10153	13.4
115.03910	4.9
123.04405	11.7
123.11675	2.3
127.03911	30.2
129.05461	2.1
137.13283	2.2
145.04929	9.8
151.03886	12.6
153.05339	6.7
163.06036	3.5
182.31253	2.0
183.06517	4.4
191.06964	2.2
193.27043	1.9
201.07607	5.0
207.10068	3.0
239.23659	7.5
313.23697	4.8
313.27332	100.0
341.21207	4.3
341.26746	3.1
355.27963	2.5
439.30432	12.9
457.31635	29.0
459.50327	2.3
475.32233	7.1
485.29068	18.5
521.25586	3.3
637.38513	35.3
655.42505	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	638.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78511	5.6
56.68048	5.5
60.80524	5.5
68.85830	6.2
79.05483	9.4
81.07047	7.2
85.57256	6.2
92.18452	8.9
97.53051	6.8
99.25258	6.4
105.07011	16.1
107.04945	34.5
107.08561	11.8
109.10162	7.0
119.08560	14.6
119.59305	6.2
121.10147	5.9
131.08578	10.4
133.10150	7.3
134.09659	7.0
135.08112	12.4
137.09618	8.3
141.06944	6.7
143.08525	56.5
149.06039	6.6
155.08560	16.0
157.10049	9.3
169.10132	26.1
171.11728	9.1
173.09669	13.0
181.10173	33.6
183.11649	11.6
194.11737	36.7
195.11720	35.8
199.11188	12.5
206.10945	10.9
207.11673	11.3
209.09688	7.7
209.13216	26.8
219.11714	7.4
221.13280	27.8
223.11230	9.4
231.11726	14.7
235.14758	10.4
237.12782	9.4
237.16348	11.7
239.14053	7.3
246.14038	38.3
249.12987	7.4
251.17880	11.0
261.16394	59.2
262.29752	7.5
279.17474	100.0
297.18481	33.5
321.18430	14.9
321.47040	6.4
339.19510	30.6
357.20706	12.4
399.21768	25.9
501.24872	8.1
582.57513	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	638.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39058	1.1
67.26366	0.9
69.07081	2.0
69.30230	1.1
71.92371	0.9
79.05499	4.7
81.07076	1.2
91.05487	7.6
92.17759	1.1
93.07053	1.9
95.08635	1.3
105.07025	4.6
107.04958	50.6
107.05694	1.9
107.08576	1.5
109.10146	1.7
119.04926	1.5
119.08581	6.1
120.08109	14.2
121.10180	1.3
131.08531	1.7
133.10138	5.3
134.80173	1.2
137.09616	1.9
143.08559	4.7
145.10072	1.9
147.04373	1.9
149.05933	12.0
155.08591	2.0
157.10153	4.7
159.11667	2.4
161.09615	1.8
163.11189	1.1
169.10150	4.1
171.07988	1.1
171.11707	4.5
173.09688	2.3
180.10204	31.8
181.10143	1.8
183.11638	2.3
185.09625	5.1
185.13356	1.6
193.10132	1.7
195.11641	6.9
196.09700	5.4
197.13269	1.6
199.11130	2.0
207.11678	1.5
209.13264	5.5
211.11293	1.4
213.12744	2.4
221.13297	1.9
223.14873	1.7
225.12810	1.8
227.14398	1.3
237.12611	1.2
237.16356	2.2
239.14240	1.1
251.18134	1.4
255.17490	1.7
261.16327	1.2
269.19092	5.5
279.17517	4.6
297.18460	8.2
315.19553	1.2
375.21817	1.3
419.43268	1.0
426.20615	1.2
638.33258	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	638.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45876	0.9
69.07069	1.0
79.05487	5.4
81.07044	1.0
91.05457	3.7
91.52958	0.8
93.07042	1.4
95.08600	1.0
97.06470	1.6
103.05519	0.9
105.07030	5.5
107.04954	59.3
112.62920	0.8
118.11352	0.9
119.08553	8.1
120.08112	14.9
120.15565	0.9
121.10139	1.1
123.08041	1.5
131.04886	1.0
131.08585	2.1
133.10159	7.2
135.08054	2.2
137.09578	2.1
142.07755	1.1
143.08600	4.6
143.55597	1.0
145.10118	1.8
147.04405	1.0
147.08026	1.4
149.05969	15.2
149.09650	3.8
155.08597	1.6
157.10155	6.6
159.08041	3.7
159.11662	1.5
161.09581	1.9
169.10109	4.3
171.08032	1.0
171.11674	2.2
173.09654	1.5
175.11275	1.0
180.10179	28.2
181.10141	3.5
182.52148	0.9
183.11731	1.6
185.09615	2.0
185.13277	1.3
187.11153	1.3
193.10100	1.3
195.11714	7.2
196.09650	1.4
197.13252	1.8
199.11163	3.4
199.14876	0.9
207.11690	1.6
208.08543	0.8
209.13292	4.3
211.11130	2.2
213.12827	3.3
221.13393	0.9
222.10222	1.1
223.11430	1.2
223.14958	1.2
225.12650	1.4
227.14285	2.0
237.12642	1.4
237.16364	2.2
239.14395	1.5
251.17885	2.0
253.15820	1.5
255.17268	1.5
269.19016	4.9
279.17450	8.2
297.18512	11.6
315.19464	2.0
354.72311	1.0
357.20599	1.6
417.22568	2.0
452.42883	0.9
517.68414	1.0
541.95215	1.0
638.33215	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	638.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.4
59.04995	2.0
60.52335	1.3
63.02691	1.7
67.05505	1.6
71.36009	1.3
79.05484	2.8
81.07043	6.8
82.49860	1.5
83.04979	53.8
84.08123	1.4
91.05475	3.7
93.07031	16.1
95.08586	6.5
101.06012	2.2
105.07024	7.0
107.04952	20.8
107.08596	9.9
117.06971	1.7
117.37593	1.5
119.08575	13.0
119.70307	1.3
121.10130	7.8
129.06990	3.4
131.08548	6.5
133.06528	1.4
133.10130	7.9
134.09641	8.7
135.08008	14.2
137.09581	1.9
143.07034	2.7
143.08595	3.0
145.10091	20.0
147.08012	1.9
147.11678	2.3
149.05960	2.7
149.09624	14.6
155.08586	5.4
157.10138	9.5
159.08029	2.1
159.11734	3.4
161.09622	10.4
163.11194	3.6
169.10083	7.8
171.11691	6.8
173.09572	2.4
175.11201	6.8
181.10158	8.0
183.11678	6.6
185.09596	5.8
187.11182	5.3
190.85222	1.8
193.10133	7.1
194.11853	14.5
195.11684	6.9
197.13336	5.6
201.12859	1.6
206.10922	2.8
207.11703	11.2
211.11105	3.4
213.12794	2.1
213.16177	2.0
219.11702	1.9
220.12425	3.3
221.13188	11.7
222.13989	2.5
223.14824	9.5
225.12804	3.0
226.13579	8.8
233.13326	2.5
234.13939	1.6
239.14279	7.5
241.15842	100.0
248.15590	3.5
253.19563	2.1
263.17929	46.2
266.16675	3.0
281.18967	36.1
283.16953	6.0
299.20148	6.2
316.16873	1.6
323.20105	20.8
341.21118	12.4
365.80508	1.6
383.22025	6.6
386.27435	1.8
578.34613	2.8
638.35870	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	638.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11094	2.2
55.05497	2.6
57.56075	2.2
67.05489	4.7
79.05479	4.4
81.07055	4.4
91.05463	22.3
92.29739	2.7
93.07050	6.4
95.04965	12.0
95.08584	5.5
104.51434	2.8
105.03400	33.8
105.07030	49.0
106.76634	3.0
107.04949	4.9
107.08582	12.5
109.06538	5.4
115.05370	2.8
117.07008	12.7
119.08567	31.3
121.06506	4.6
121.10134	9.7
128.06209	28.9
129.06969	6.3
131.08569	91.3
133.06496	11.4
133.10130	100.0
134.09653	5.9
135.08063	14.1
138.17622	2.5
143.08562	91.5
145.10112	19.0
147.11734	9.8
149.05904	3.1
155.08455	8.6
156.09346	4.7
157.10098	21.1
159.11676	14.1
161.09595	27.8
169.10109	12.3
170.10773	2.6
171.11714	24.4
179.08620	3.1
181.10075	5.5
183.11717	12.9
185.09653	3.2
185.13263	4.7
192.09337	5.1
193.10155	16.5
194.11780	4.7
195.11697	14.1
197.13277	9.7
206.10962	10.2
207.11694	41.1
208.12373	10.0
209.13286	9.6
220.12489	10.4
221.13344	29.8
233.13188	10.6
234.13997	3.0
235.14783	12.6
237.16412	3.7
248.15504	15.9
251.17941	5.1
253.19476	5.7
263.17932	79.1
266.16510	2.9
281.18985	37.1
291.39380	2.6
293.15234	4.0
294.15909	2.9
321.00629	2.5
323.20029	18.7
341.21173	16.6
346.73291	2.6
354.17844	2.9
365.21121	2.9
383.22253	12.1
401.23163	10.6
426.08670	2.8
443.24191	12.3
452.93796	2.8
638.36243	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	638.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
66.89146	2.1
67.05519	9.2
69.03430	4.6
76.10065	2.3
77.79015	2.5
78.41264	2.8
79.03631	2.5
79.05485	10.1
80.43025	2.5
81.03413	20.6
81.07050	3.2
83.04974	5.9
83.08585	2.8
91.05463	14.3
93.07037	24.0
95.04971	30.1
95.08604	12.1
105.07027	26.3
107.08595	28.8
109.06536	2.6
109.10176	4.3
112.77946	2.5
117.07063	3.9
119.04931	3.9
119.08566	28.0
121.10155	24.9
121.23584	2.4
123.11700	2.7
131.08537	18.9
133.06471	4.1
133.10118	87.5
135.08049	37.1
135.11649	2.4
137.09674	3.3
143.08572	23.7
144.80083	2.8
145.10127	14.3
147.08060	3.3
147.11681	14.4
155.08505	5.2
157.10139	20.6
159.08061	5.1
159.11708	19.0
161.09595	50.6
163.11177	11.7
167.08571	3.1
169.10086	12.9
171.11630	19.3
173.09602	3.4
173.13159	22.8
175.11150	5.6
178.07642	2.4
179.08586	2.5
181.10147	3.9
183.11659	16.4
185.09654	10.0
185.13220	5.4
192.09322	2.9
193.10146	13.8
194.44200	2.2
195.11722	12.9
197.09618	5.6
197.13290	16.6
199.11121	6.0
199.14853	12.3
206.10793	5.7
207.11754	21.4
209.13269	4.1
211.14865	4.3
220.12538	4.5
221.13242	24.6
225.12764	15.2
233.13260	12.5
234.14020	2.8
235.14778	3.7
237.16238	3.8
239.14255	12.4
248.15657	18.2
251.59425	2.6
253.19455	15.5
263.17950	73.5
281.18967	100.0
299.20038	12.8
299.86349	2.6
323.20078	27.4
341.21033	15.8
383.22018	30.1
401.23178	16.3
443.24323	23.1
519.29510	5.6
561.30981	3.8
562.86865	3.1
638.34814	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	638.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63662	0.7
71.65108	0.9
72.04501	1.3
79.05482	8.5
88.07629	1.7
91.05460	1.0
92.17964	0.9
105.07005	1.4
107.04952	100.0
107.08587	1.4
119.08504	1.0
121.10114	0.9
122.56715	0.8
131.08543	3.4
134.09648	61.6
143.08583	1.1
149.05971	17.3
166.18185	0.9
171.11729	1.1
185.13284	1.1
192.10172	9.5
194.11755	75.6
195.11794	0.9
197.40712	0.9
198.50665	0.9
209.13257	1.3
238.21400	0.9
265.19583	1.7
283.20435	1.4
458.30417	4.9
476.31644	1.6
536.33777	2.0
578.34833	22.1
638.36761	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81965	1.0
53.29497	0.9
64.45461	1.2
65.95983	1.3
69.88216	1.3
70.00301	1.1
72.04519	2.3
79.05475	7.4
88.07633	1.5
93.07052	1.3
107.04948	100.0
119.08569	2.1
121.10066	1.3
134.09656	64.4
140.19432	1.2
145.10097	1.6
149.05969	18.2
157.09987	1.7
176.10680	1.3
178.50098	1.1
181.10092	1.6
183.11598	1.2
185.13223	1.3
192.10214	9.7
194.11751	96.8
265.19550	1.6
458.30399	5.4
476.31757	1.4
545.23053	1.3
578.34814	26.5
638.36938	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16332	4.9
53.50747	5.8
57.07075	24.8
62.17622	5.3
63.86105	5.6
65.41235	6.2
67.13942	6.8
69.07062	14.8
71.08624	8.3
71.78803	6.5
80.10198	5.5
81.07046	12.3
83.08604	27.6
85.10188	8.4
93.07030	7.3
95.08577	14.9
107.08616	10.1
109.10139	10.7
134.09583	8.0
142.25226	6.0
149.13277	7.2
178.15778	5.9
202.15941	31.2
207.41162	6.8
218.96658	6.6
220.07472	7.1
298.95956	6.0
300.13559	27.3
497.41882	100.0
563.80109	6.5
633.25397	6.7
638.44104	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	639.1919
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
56.66964	0.3
56.67843	0.2
57.03427	0.6
64.09255	0.2
69.03442	0.4
71.04996	5.7
85.02909	9.1
89.46426	0.3
97.02872	0.6
107.10861	0.2
110.69276	0.3
116.27883	0.3
116.83850	0.3
116.95672	0.3
129.05508	0.6
151.03979	0.3
167.03494	0.4
217.09596	0.5
235.10776	0.3
259.10898	0.4
261.08728	2.7
262.08798	0.3
263.09631	0.3
271.05997	0.3
287.10190	0.5
299.05603	1.4
313.08136	0.4
316.05716	5.0
331.08105	100.0
332.09552	0.3
400.18597	2.0
406.17450	0.5
407.17862	0.3
424.18060	0.5
469.17371	0.3
470.19095	2.3
493.13535	2.3
621.28583	1.4
639.29633	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	639.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.9
55.05512	2.5
57.03425	2.0
60.10462	1.8
61.36121	2.1
67.05492	3.3
69.07067	5.2
73.05515	2.2
81.03402	2.5
81.07058	3.1
83.05001	5.3
83.08599	3.6
85.02883	2.7
91.05496	4.4
93.07033	2.6
95.04944	12.0
95.08620	2.1
97.02937	3.0
97.06529	3.8
104.82974	1.9
105.03393	100.0
105.04489	3.0
105.07038	10.1
107.08592	4.3
109.06460	4.7
113.10374	2.1
119.08534	8.3
121.06513	2.9
121.10091	2.9
123.08057	5.4
128.06187	2.9
129.06998	4.1
131.08554	9.1
133.06494	5.4
133.10046	2.5
135.08049	4.4
136.98717	2.1
137.09628	8.8
141.06992	3.0
143.08597	21.5
145.10088	8.7
147.08087	4.4
149.09554	4.8
155.08522	18.3
157.10106	9.8
159.08063	13.6
159.11656	4.1
161.09576	5.4
167.08531	4.9
169.06453	2.3
169.10147	23.8
171.08060	16.8
171.11693	4.8
173.09607	9.6
175.11185	3.2
179.08588	3.8
181.10139	11.7
183.11705	16.1
185.09636	4.7
185.13232	2.3
187.11075	3.0
188.14606	2.4
192.09305	2.3
193.10120	5.0
194.10986	3.6
195.11719	11.4
197.09612	20.6
197.13254	4.0
199.11197	4.5
201.12753	9.4
206.10648	2.3
207.11708	15.7
209.09750	4.2
209.13271	9.3
211.11200	12.9
211.14758	4.5
213.12804	3.4
215.10674	11.9
219.11603	4.6
220.12428	3.9
221.13252	4.4
223.11159	8.3
223.14780	3.4
225.12721	12.3
234.14066	5.1
235.14713	5.1
237.12758	3.5
239.14310	3.2
239.18044	3.3
241.15933	2.8
249.16412	12.0
251.14268	8.8
253.12303	3.1
253.15819	5.2
259.14856	3.4
262.13428	5.1
265.15921	9.5
267.14877	2.3
267.17303	22.8
269.15491	9.9
277.15897	18.8
283.16916	3.8
295.16922	43.2
311.16373	2.9
313.18073	25.9
337.18253	2.9
355.18954	16.2
373.20093	12.1
397.20062	2.7
410.61316	2.6
415.21112	5.0
484.20895	2.3
537.25079	7.5
639.28436	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	640.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06075	6.1
62.50061	1.0
69.07059	1.0
79.05472	5.8
81.07071	2.4
87.58665	1.0
91.05474	63.1
93.07048	2.1
103.05463	1.5
105.07001	7.1
107.04262	2.1
107.04951	35.7
107.08582	5.8
109.06501	2.0
117.07014	2.0
119.04931	12.1
119.08586	14.1
120.08088	5.0
121.06541	1.3
121.10123	1.2
129.06995	1.5
131.08546	2.8
134.09647	17.6
135.08054	2.4
137.09557	3.8
139.07585	1.7
143.08516	2.6
145.10103	5.1
147.08012	1.4
149.05966	8.2
149.09593	2.4
155.08577	1.3
157.10114	1.7
162.99431	1.4
169.10083	1.6
180.10205	30.9
181.10139	5.8
183.11583	1.4
194.11450	1.1
195.11717	4.4
209.13139	1.1
210.11237	35.7
223.14778	2.6
226.10696	4.7
265.15747	1.5
462.26270	1.9
515.28699	1.2
576.72473	1.3
580.33075	1.2
640.31097	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	640.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
64.54922	0.8
67.05510	1.0
69.26429	0.7
70.80438	0.7
79.05489	1.3
81.07033	1.1
83.08614	1.2
91.05495	17.1
92.17851	1.0
93.07059	7.1
95.08649	0.9
105.07031	16.1
107.08586	3.4
109.06533	1.6
109.10170	1.4
111.08090	15.4
119.04953	4.1
119.08585	5.5
121.06504	1.7
121.10150	3.4
123.08114	1.1
131.08539	4.1
133.10107	1.4
134.09645	8.4
135.08052	1.9
137.09621	7.1
139.07529	11.4
140.31734	0.8
143.08598	4.0
145.10097	4.4
147.08061	5.1
149.09647	1.6
155.08591	1.6
157.10149	6.3
159.11655	1.6
161.09674	0.9
165.09192	1.1
168.09328	1.8
169.10089	1.2
171.11703	4.8
173.09628	3.7
173.51872	0.8
175.11206	3.4
181.10176	2.0
183.11678	22.5
185.09619	1.0
185.13255	3.9
185.66132	1.0
187.11292	1.7
193.10185	1.1
195.11624	6.1
197.13356	3.9
199.11162	3.8
201.12762	10.7
207.11755	0.9
208.12511	1.8
209.13287	3.0
210.11273	15.3
211.14844	6.1
213.12700	2.9
213.16380	3.5
214.60797	0.8
222.13994	1.0
223.11375	1.0
223.14809	8.6
227.10783	1.0
227.14471	1.0
229.15747	1.1
237.16377	8.6
241.12334	1.1
241.15889	10.4
247.14793	0.8
255.17461	6.9
265.15936	5.0
283.16891	15.8
301.18106	10.0
561.90192	0.8
640.31177	100.0
667.02893	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	640.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28027	0.9
54.53672	1.1
58.14745	0.8
60.08017	0.9
67.05479	1.2
67.51219	0.8
71.64146	1.0
81.07040	1.9
83.08636	1.8
85.02885	1.2
91.05470	21.9
93.07027	5.6
95.08572	1.4
102.05652	1.0
105.07034	17.9
107.04953	4.6
107.08596	2.3
109.06483	1.3
111.08064	17.5
116.30410	1.2
119.04953	7.5
119.08582	8.8
121.06521	3.9
121.10118	2.2
123.08089	1.0
129.06985	1.1
131.08539	6.1
131.48454	1.1
133.10127	3.9
134.09653	7.3
135.08051	4.5
137.09601	6.0
139.07535	14.1
143.08549	4.3
145.10118	6.1
147.08034	4.3
154.07748	1.0
155.08492	4.1
157.10109	8.0
159.07997	2.4
159.11749	1.1
164.10681	1.7
165.09131	1.7
167.08401	1.5
168.09285	2.1
169.10118	1.4
171.11668	6.7
173.09697	2.0
173.13252	1.5
175.11208	4.0
181.10052	3.5
183.11700	19.3
185.13239	1.8
186.20776	1.2
187.11278	1.5
191.10701	1.3
193.10135	3.7
194.11699	1.3
195.11714	8.0
197.13412	1.6
199.11142	1.9
199.14847	2.0
201.12701	10.4
207.11674	1.3
208.12549	1.1
209.09497	1.5
209.13260	4.3
210.11214	22.7
211.14835	5.3
213.12733	1.9
213.16389	1.8
223.14909	5.4
227.17938	1.2
232.12350	1.2
237.12695	1.3
237.16396	7.3
239.14290	1.5
241.15793	9.4
247.14938	1.6
255.17468	4.6
265.15933	8.0
283.16904	15.1
301.17825	7.2
511.45496	1.2
626.77356	1.0
640.31122	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	640.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81643	1.0
52.13331	0.8
52.54272	0.9
54.99739	0.9
62.06077	6.4
62.58416	1.0
79.05469	5.3
81.07056	1.2
88.36842	1.0
91.05476	64.2
93.07010	4.4
95.08609	1.7
103.05460	1.3
105.07026	9.7
107.04953	55.6
107.08547	5.1
109.06475	1.5
117.07037	2.4
119.04925	10.9
119.08573	15.0
120.08034	5.2
121.10093	4.3
123.08083	1.3
129.06995	1.1
131.04834	1.2
131.08521	6.9
133.06483	1.7
133.10046	1.4
134.09659	15.2
134.33955	1.2
135.08012	4.5
137.09576	7.2
143.08536	5.7
145.10109	7.4
147.07944	1.4
149.05930	12.0
155.08568	2.6
157.10034	2.2
159.11685	1.5
167.08514	1.2
173.09604	1.5
179.08463	1.7
180.10205	36.3
181.10037	1.8
194.11754	2.5
195.11612	2.3
200.25067	1.3
207.11769	1.4
208.12404	1.6
210.11258	35.4
223.14758	5.4
226.10710	5.9
253.05954	1.3
402.24213	1.8
462.25742	1.6
580.32599	2.3
640.30981	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	640.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	5.8
74.06769	3.3
91.05432	3.7
91.39828	2.5
93.07020	5.6
95.04946	4.3
99.04455	2.5
103.05451	17.0
105.07033	12.0
107.08559	3.6
107.85588	2.4
109.06514	3.9
109.75876	2.5
119.08580	29.0
121.06516	2.7
123.08070	2.9
128.06181	3.2
129.06989	6.0
131.04912	67.6
131.08543	5.6
133.10112	3.3
140.93730	2.3
141.07013	3.6
142.07748	6.2
143.08559	28.5
145.10103	11.5
147.08047	5.0
155.08517	21.6
157.10109	100.0
159.08141	4.4
161.09607	3.8
165.07031	2.7
166.43449	3.0
167.08572	11.0
168.09361	3.9
169.10081	30.1
171.07915	4.2
171.11668	18.9
173.09604	11.0
179.08571	10.6
181.10115	18.8
183.11682	25.6
185.09595	4.5
185.13226	3.7
187.11255	4.4
193.10107	12.0
194.10927	6.3
195.11739	12.8
197.13217	9.8
199.11189	3.8
199.14787	33.3
203.10649	3.2
206.10641	2.9
207.11639	18.5
209.13200	43.9
211.11166	5.4
211.14771	8.8
220.12500	12.4
221.13350	4.4
223.14763	11.8
225.12697	11.2
225.16408	9.7
227.14229	5.2
233.13301	5.1
234.13972	6.0
235.11160	3.7
235.14738	19.8
237.12854	3.7
249.16394	10.1
251.14333	10.7
253.15887	29.3
267.17413	13.3
271.17059	3.2
277.15903	14.9
295.16928	59.8
305.63840	2.6
313.14786	3.5
313.17880	24.1
355.19040	27.5
415.21255	24.6
443.21848	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	640.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81643	1.0
52.13331	0.8
52.54272	0.9
54.99739	0.9
62.06077	6.4
62.58416	1.0
79.05469	5.3
81.07056	1.2
88.36842	1.0
91.05476	64.2
93.07010	4.4
95.08609	1.7
103.05460	1.3
105.07026	9.7
107.04953	55.6
107.08547	5.1
109.06475	1.5
117.07037	2.4
119.04925	10.9
119.08573	15.0
120.08034	5.2
121.10093	4.3
123.08083	1.3
129.06995	1.1
131.04834	1.2
131.08521	6.9
133.06483	1.7
133.10046	1.4
134.09659	15.2
134.33955	1.2
135.08012	4.5
137.09576	7.2
143.08536	5.7
145.10109	7.4
147.07944	1.4
149.05930	12.0
155.08568	2.6
157.10034	2.2
159.11685	1.5
167.08514	1.2
173.09604	1.5
179.08463	1.7
180.10205	36.3
181.10037	1.8
194.11754	2.5
195.11612	2.3
200.25067	1.3
207.11769	1.4
208.12404	1.6
210.11258	35.4
223.14758	5.4
226.10710	5.9
253.05954	1.3
402.24213	1.8
462.25742	1.6
580.32599	2.3
640.30981	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	640.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30056	2.3
54.39251	3.0
55.05494	3.9
61.94053	2.3
65.54562	2.6
69.03432	6.9
69.07084	3.5
71.46133	2.4
79.05489	4.3
81.07043	13.2
83.05000	12.3
90.19944	2.6
91.05488	4.3
93.07025	11.8
94.21962	2.7
95.04984	3.0
95.08588	4.7
97.02884	16.8
97.06537	3.3
99.48775	2.7
105.07018	13.5
107.04951	37.3
107.08572	15.7
108.05238	3.5
108.49171	3.0
109.06519	21.4
109.10151	15.7
117.07020	4.2
119.08572	17.7
121.06465	6.5
121.10159	11.5
123.04414	2.9
124.03936	5.2
127.33003	2.5
129.06958	4.1
131.08565	18.1
133.06453	3.6
133.10117	19.5
134.09621	20.8
135.08046	20.9
135.09972	12.8
137.05949	13.3
137.09602	10.9
141.06929	2.8
143.08534	30.0
145.06462	42.8
145.10149	22.2
147.08022	18.9
147.11679	13.1
149.05966	5.2
155.08562	4.2
157.10159	28.4
159.08051	3.3
159.11702	4.7
161.09592	11.7
161.13278	3.3
163.07535	39.0
166.07658	3.1
169.10127	6.4
171.08006	4.4
171.11678	18.8
173.05768	3.1
173.09612	3.6
173.13248	17.3
174.98280	2.6
175.07474	2.7
175.11180	5.9
180.09293	3.5
181.10152	16.7
183.11684	6.1
185.09514	6.4
185.13239	6.9
187.14815	4.5
194.11745	18.7
195.11725	58.6
196.12347	5.9
197.13287	15.7
199.11195	18.4
201.12807	2.7
205.10219	5.4
207.11650	11.7
208.08720	3.4
209.09612	17.4
209.13246	13.1
211.14807	13.4
213.12770	17.1
213.16200	3.7
221.13304	4.0
222.13986	6.8
223.11200	27.0
223.14784	15.5
225.12679	5.1
227.10680	11.8
227.17952	15.0
232.12491	16.3
235.11086	3.9
236.11908	3.0
237.12653	12.2
237.16357	57.0
239.14285	5.5
241.12291	6.9
241.15964	2.8
247.14754	29.7
250.13556	11.6
255.17355	28.8
265.15845	100.0
283.16910	82.3
301.17990	15.7
325.17950	34.0
343.18994	24.2
377.05750	3.1
385.20184	25.5
403.21179	61.6
445.22260	56.7
503.26270	5.0
580.35114	11.2
623.30688	5.9
640.33954	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	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06144	0.5
51.11069	0.7
54.88630	0.5
68.20168	0.7
70.60878	0.9
71.09607	0.6
74.06075	1.1
75.28581	0.6
75.38186	0.6
79.05494	6.4
91.05473	3.0
92.17886	1.8
93.07034	1.3
95.04949	1.0
105.07018	3.9
105.62609	0.6
106.47952	0.6
107.04950	100.0
119.04874	0.9
120.08105	10.6
121.10130	1.3
131.08519	1.0
134.09633	0.8
135.08052	2.5
143.08586	0.8
147.08038	0.7
149.05957	18.4
161.09650	1.0
167.08589	1.0
169.09824	0.5
177.51851	0.7
179.08502	0.9
180.10178	83.3
181.10139	3.6
183.11594	0.9
193.10286	0.7
194.11748	2.6
195.11685	1.1
204.58310	0.7
210.11200	1.3
223.14783	6.8
281.18967	2.7
402.24515	2.3
420.25555	0.7
460.28204	0.9
462.26343	14.1
522.28278	3.6
580.32751	5.2
586.76050	0.7
640.32288	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	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53014	1.2
79.05476	8.8
92.17844	3.4
93.07052	1.9
105.07021	8.3
107.04951	100.0
119.08568	3.4
120.08073	17.3
133.10162	4.7
135.08066	1.9
143.08591	1.9
145.10234	1.9
149.05959	19.1
155.08560	2.1
157.10106	3.5
159.11700	2.8
169.10124	2.9
171.11761	1.9
180.10191	74.6
183.11743	1.9
195.11612	1.8
197.13297	1.6
198.51540	1.6
207.11728	1.7
218.12888	1.8
281.18948	1.9
299.20148	1.8
341.21039	2.2
499.85703	1.4
518.70972	1.5
580.32544	34.9
640.34448	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	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31654	1.1
54.41985	0.9
63.42515	1.1
66.25882	1.1
66.36611	1.2
68.20397	1.1
75.84262	1.1
79.05482	7.5
91.05484	6.5
91.09364	1.2
95.08584	2.7
105.07043	8.1
107.04951	100.0
107.08593	4.8
109.10117	2.5
119.04900	1.2
119.08570	7.4
120.08096	18.3
121.10130	2.6
131.08572	2.4
133.10107	4.8
134.09642	1.5
143.08493	4.5
144.45944	1.2
145.10114	1.8
146.49957	1.2
146.76595	1.2
147.11710	1.3
149.05971	25.7
155.08530	2.4
157.10085	5.3
161.09534	1.5
169.10135	2.7
171.11761	2.4
173.13307	1.5
180.10185	81.7
181.10208	1.9
183.11684	5.9
193.10118	1.5
195.11668	1.4
195.82262	1.3
197.13211	2.2
206.10898	1.4
207.11685	2.1
211.14807	1.9
221.87872	1.3
231.42084	1.4
263.18073	1.8
281.18930	4.6
292.84396	1.3
299.19977	1.9
341.21121	1.7
438.12009	1.3
580.32684	39.6
587.51453	1.4
640.33563	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	640.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60461	1.0
67.05506	1.0
79.05491	8.4
81.07052	1.8
82.15548	1.0
84.79097	0.9
91.05482	2.0
93.07059	2.4
95.08606	2.2
105.07018	7.2
107.04953	100.0
107.08646	1.4
110.34900	1.2
119.08551	1.5
120.08108	16.1
131.08575	2.3
141.06950	1.4
143.08548	1.3
149.05984	22.1
155.08551	3.8
163.57561	1.1
167.08569	4.3
169.10124	2.1
180.10204	60.2
181.10146	7.8
188.60551	1.1
195.11694	4.8
208.12418	2.0
213.90234	1.1
223.14848	12.0
263.17859	1.3
281.19025	2.2
402.24265	10.5
580.32758	18.1
592.33612	1.1
640.34753	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	640.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09470	0.5
59.05006	0.6
68.20438	0.5
79.05499	8.5
81.07056	0.8
91.05503	2.5
93.07028	3.6
95.08595	1.0
96.69331	0.7
103.78926	0.5
105.07037	4.9
107.04955	100.0
117.07037	1.1
119.08571	2.7
120.08107	13.8
129.07018	1.1
131.08583	2.7
143.08556	1.3
145.10135	1.1
149.05980	20.0
155.08571	3.9
157.10196	0.7
167.08575	2.5
169.10213	1.1
171.11890	0.6
178.08652	2.5
179.08598	1.1
180.10193	69.8
181.10152	6.2
193.10146	0.9
194.10960	1.0
195.11720	3.6
215.26903	0.5
223.14818	11.2
236.70815	0.7
402.24255	11.0
462.26627	2.6
579.55286	0.6
580.32495	10.8
599.47650	0.6
640.34863	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54084	1.0
60.02160	1.1
62.15039	1.1
79.05482	7.9
81.07040	4.9
85.39739	1.2
89.93059	1.2
91.05463	3.1
93.07011	4.4
95.08601	5.0
99.85767	1.3
105.07023	12.8
107.04951	100.0
107.08589	1.9
109.10161	1.9
119.08550	10.6
120.08086	19.2
121.10128	4.9
129.07065	1.6
131.08585	2.9
133.06493	1.4
133.10129	9.1
143.08537	6.9
145.10123	4.9
147.11627	1.5
149.05965	17.8
155.08543	5.0
157.10095	5.8
159.08040	1.8
159.11667	2.1
161.09665	1.2
167.08585	2.1
169.10098	6.1
176.22226	1.4
180.10178	70.7
181.10103	2.4
183.11671	6.1
185.13278	1.9
193.10124	1.6
195.11673	2.4
197.13295	7.6
207.11725	2.2
208.12474	1.3
209.13274	1.5
211.14830	1.7
221.13152	1.8
223.14815	2.4
225.12701	1.5
237.16469	1.4
253.19556	1.4
263.17926	1.9
281.19000	11.3
299.20084	2.7
316.67236	1.4
401.23236	1.7
520.30768	2.9
580.32654	40.5
640.34003	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	640.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
73.44254	0.7
74.06068	1.4
75.56109	0.8
76.12410	0.7
79.05490	7.4
81.07045	0.7
83.08652	0.8
93.07041	1.1
95.04989	1.2
95.08607	3.5
105.07021	10.0
107.04955	100.0
107.08574	1.8
109.06476	0.9
109.10134	3.0
119.08595	5.6
120.08108	19.1
121.10138	1.7
123.08025	1.0
123.11688	1.5
128.06198	1.1
129.06981	1.4
131.08549	1.9
133.10133	4.8
135.11630	1.0
141.47090	0.8
143.08568	5.4
145.10118	3.9
147.07968	0.8
149.05972	22.6
155.08456	2.4
155.26668	0.9
157.10117	3.1
159.11708	3.7
161.09576	1.1
169.10109	5.0
170.10788	0.8
171.11707	1.9
173.13199	1.0
177.12640	0.9
180.10191	85.5
181.10046	1.1
181.87589	1.2
183.11679	5.2
185.13286	1.0
188.50981	0.8
193.10228	1.0
195.11705	1.9
197.13280	3.0
201.12645	0.9
207.95126	0.8
209.13286	1.7
211.11292	0.8
221.13290	1.5
239.14281	0.9
253.19435	1.4
263.17847	3.3
281.18961	6.3
299.20065	1.8
341.21136	1.2
401.23419	1.1
580.32678	40.7
640.34656	15.5
646.33545	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	640.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95617	0.7
64.11025	0.8
69.56909	0.7
74.06058	1.1
79.05490	7.6
81.07040	1.1
84.92096	0.9
91.05495	1.3
93.07065	1.6
95.08578	1.3
102.15587	0.9
105.07028	7.4
107.04955	100.0
107.08617	1.5
119.08571	5.5
120.08104	17.1
121.10126	1.4
129.06992	0.9
131.08545	3.2
133.10138	4.5
141.07016	1.2
143.08545	5.1
145.10083	4.7
147.11739	1.0
149.05972	23.8
152.02168	1.0
155.08556	4.6
157.10150	3.8
159.11713	2.0
161.09686	1.3
167.08638	1.3
169.10123	3.9
171.11673	1.2
172.39163	1.0
178.08693	1.0
179.08475	1.1
180.10184	78.0
181.10088	3.3
183.11743	3.2
193.10078	1.3
195.11697	4.7
197.13179	1.5
207.11725	1.3
208.12454	1.6
221.13263	1.7
223.14737	6.7
231.57475	0.8
236.06712	0.9
237.04800	0.8
253.19530	1.2
263.17712	1.3
281.18942	4.0
299.20129	1.5
402.24283	4.9
474.67145	0.9
493.30731	1.0
520.31171	0.9
580.32776	33.5
584.05865	0.8
640.34778	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	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36250	0.9
51.53913	0.7
52.74290	0.7
55.85230	0.7
62.33799	0.8
75.32612	0.9
79.05491	11.1
81.07036	0.8
91.05464	3.4
92.18538	1.8
93.07037	1.6
105.07024	3.9
107.04952	100.0
112.32856	0.8
117.06976	1.0
119.08560	1.8
120.08099	14.1
129.07047	1.8
131.08540	1.7
141.66985	0.8
143.08540	3.7
145.10158	1.1
149.05988	21.6
152.00618	1.0
155.08557	4.1
165.06960	1.0
167.08575	1.6
171.11607	0.8
178.08577	1.9
179.08514	1.7
180.10196	75.8
181.10078	8.4
192.39879	0.9
195.11737	4.3
207.11507	0.9
208.12338	1.2
223.14790	9.7
281.19177	1.0
402.24268	16.6
462.26306	3.4
580.32855	11.6
640.34814	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89079	1.4
51.73046	1.3
53.32558	1.4
55.23254	1.4
58.56939	2.0
69.07062	2.1
74.06067	3.2
79.05493	8.5
81.07065	2.2
91.05462	7.6
105.07025	10.6
107.04956	100.0
107.08592	7.0
109.10147	3.8
119.08584	8.2
120.08104	21.0
121.10141	3.0
129.06998	1.9
133.10118	9.3
143.08568	7.3
145.10136	7.9
147.11769	3.4
149.05981	22.1
155.08566	9.5
157.10127	9.3
159.11665	2.4
169.10110	10.7
171.11716	4.2
173.09497	2.8
180.10208	70.0
183.11711	14.6
185.13264	2.3
193.10129	1.8
195.11711	3.9
197.13290	3.0
207.11685	4.1
211.14693	1.9
219.11740	1.9
220.12460	2.4
221.13304	3.1
233.13350	2.1
237.16339	3.3
248.15710	1.8
253.19507	3.2
263.17978	10.8
281.18857	13.1
299.20081	11.3
341.21152	7.0
359.21964	1.9
435.94482	1.7
467.21753	1.8
580.32391	12.8
622.33734	14.4
640.34656	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06144	0.5
51.11069	0.7
54.88630	0.5
68.20168	0.7
70.60878	0.9
71.09607	0.6
74.06075	1.1
75.28581	0.6
75.38186	0.6
79.05494	6.4
91.05473	3.0
92.17886	1.8
93.07034	1.3
95.04949	1.0
105.07018	3.9
105.62609	0.6
106.47952	0.6
107.04950	100.0
119.04874	0.9
120.08105	10.6
121.10130	1.3
131.08519	1.0
134.09633	0.8
135.08052	2.5
143.08586	0.8
147.08038	0.7
149.05957	18.4
161.09650	1.0
167.08589	1.0
169.09824	0.5
177.51851	0.7
179.08502	0.9
180.10178	83.3
181.10139	3.6
183.11594	0.9
193.10286	0.7
194.11748	2.6
195.11685	1.1
204.58310	0.7
210.11200	1.3
223.14783	6.8
281.18967	2.7
402.24515	2.3
420.25555	0.7
460.28204	0.9
462.26343	14.1
522.28278	3.6
580.32751	5.2
586.76050	0.7
640.32288	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	640.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.1
62.06079	1.6
64.92949	0.7
67.05507	1.2
70.49741	0.8
73.88807	0.9
76.97027	0.8
78.95631	0.8
79.05486	10.8
81.07048	1.7
83.08602	1.2
91.05467	19.6
93.07043	3.4
95.04963	1.3
95.08602	5.2
105.07020	10.7
107.04948	100.0
107.08578	5.2
109.06471	1.2
109.10130	4.9
117.07017	1.5
119.04937	2.2
119.08566	12.0
120.08086	16.4
121.10123	5.7
123.11685	1.0
131.08563	7.1
133.10130	9.8
134.09637	5.7
135.08093	1.1
137.09604	1.9
141.07039	1.0
143.08566	4.8
145.06526	1.0
145.10133	5.8
147.07980	3.3
149.05971	17.9
155.08574	3.7
157.10144	7.0
159.08057	1.3
159.11647	1.6
167.08476	1.7
169.10104	5.7
171.11679	5.6
173.09607	1.7
173.13196	1.6
180.10179	79.6
181.10098	4.4
182.10957	0.9
183.11697	6.9
185.13243	1.7
187.11160	1.1
193.10078	1.8
195.11705	4.0
197.13197	6.1
199.11263	1.1
207.11708	3.6
208.12415	1.0
209.13274	1.9
210.11215	10.3
211.11124	1.5
211.14822	1.8
221.13268	3.2
223.14822	4.2
225.12646	1.2
226.10739	1.4
239.17949	1.2
253.19531	1.8
263.17834	2.0
281.18918	9.8
299.20087	1.7
341.21088	3.5
401.23239	2.0
402.24670	1.1
520.30420	1.6
580.23920	1.8
580.32623	36.1
640.31024	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85334	4.5
54.47765	4.3
62.06085	23.1
69.03425	6.7
69.80119	4.8
79.05505	7.6
81.03419	33.2
81.07074	10.6
91.05479	7.0
93.07027	44.1
95.04965	10.1
95.08602	32.4
105.07014	22.8
107.04957	57.9
107.08595	29.1
109.10154	23.1
119.08585	27.9
121.10114	11.8
129.07059	7.3
131.08560	6.3
133.10129	76.9
135.08043	79.0
142.78690	5.8
143.08505	6.7
145.06487	6.1
145.10132	44.3
147.11678	9.6
157.10164	12.3
159.11652	9.8
161.09598	100.0
161.13124	6.4
163.11218	24.7
171.11656	10.0
180.10199	30.9
181.10173	5.5
183.11740	5.9
195.11696	6.1
201.12717	5.9
209.13216	7.8
223.14691	17.7
227.14047	8.4
238.39313	5.4
265.19504	39.1
283.20517	61.4
343.22818	42.3
385.23932	8.6
519.30200	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	640.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
62.06082	14.9
67.03437	2.4
67.05530	3.8
69.03415	11.3
69.07065	2.9
79.05499	5.1
81.03417	29.0
81.07043	17.2
91.05464	12.7
93.07037	47.1
95.04937	22.7
95.08599	24.1
105.07024	22.4
107.04977	26.0
107.08575	37.0
109.06531	4.8
109.10150	12.7
111.38036	2.6
117.07027	5.1
119.04922	4.2
119.08573	29.7
120.08122	4.1
121.10131	21.0
123.11729	6.2
131.08565	5.9
133.06502	5.4
133.10130	80.0
135.08047	88.0
135.11676	6.1
137.09642	5.2
143.08546	10.3
145.06502	16.4
145.10114	42.4
147.11707	15.2
149.05988	3.1
149.13213	3.9
155.08589	3.3
157.10156	16.7
159.11699	19.2
161.08301	4.6
161.09608	100.0
163.11188	17.4
167.03958	2.8
171.11717	13.9
173.13252	12.3
175.11234	3.2
180.10204	11.5
181.10077	4.5
183.11679	5.5
185.13339	5.9
189.71858	2.6
195.11693	10.3
197.13213	4.5
201.12773	6.4
209.13260	18.6
223.14774	17.7
227.14258	6.5
241.15901	3.8
244.01309	2.7
250.17090	3.0
265.19470	41.3
283.20560	75.1
325.21262	3.2
343.22632	54.0
373.35135	3.5
385.23743	12.9
477.28549	3.4
499.22357	3.0
519.29614	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	640.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26836	4.7
55.80157	4.6
56.20765	4.1
59.23869	4.1
62.06086	4.4
79.05461	6.8
81.03455	4.0
81.07056	19.6
85.33921	4.1
91.05472	18.8
93.07052	22.8
95.04940	6.2
95.08609	16.5
105.03375	4.7
105.07031	40.6
105.07632	4.3
107.04951	37.3
107.08599	19.8
109.10152	6.2
112.51060	5.3
119.08591	35.7
121.10071	5.9
131.08565	24.3
133.10114	67.0
135.08031	17.7
143.08575	20.8
145.10149	21.9
147.11678	19.0
154.44456	5.4
155.08549	7.2
157.10143	23.4
159.11703	20.3
161.09631	31.4
169.10080	6.2
171.11716	22.1
173.13231	9.6
179.08488	4.7
180.10248	20.4
181.10075	8.1
183.11681	19.1
185.13226	5.1
195.11696	32.5
197.13292	20.5
206.74809	4.6
207.11697	10.3
209.13289	9.1
213.98900	4.6
221.13277	26.9
223.14734	6.4
225.12619	5.8
225.16451	5.6
237.16422	10.5
239.14371	7.5
248.15599	6.5
251.17853	16.5
253.19583	10.7
263.17953	32.9
269.19312	5.1
275.80304	4.9
281.18994	100.0
299.20044	19.5
314.26480	4.7
341.21091	54.0
401.23212	23.0
459.27319	26.4
495.14117	6.0
506.39191	5.2
537.26563	4.7
640.35199	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	641.1714
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
50.19942	0.2
53.06574	0.3
56.82471	0.2
57.03432	0.6
61.02902	0.3
69.03422	0.5
71.04641	0.4
71.04996	9.1
83.04952	0.4
85.02908	11.8
97.02862	0.5
129.05452	1.2
132.62433	0.3
139.03883	0.5
153.01797	0.6
161.82182	0.3
165.01823	0.5
167.03337	0.4
169.70050	0.3
179.03322	0.4
189.74002	0.3
245.04460	0.4
273.04001	1.4
277.07123	1.1
287.05472	0.5
301.03366	2.2
305.33994	0.3
317.06760	0.4
318.03632	4.5
333.06018	100.0
375.07196	0.4
495.11267	1.7
641.25159	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	641.1716
Annotation	Axillarin 5-alpha-L-arabinosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.07516	0.2
57.03419	1.6
61.02910	1.3
61.09907	0.3
62.50852	0.3
63.49816	0.3
69.03442	2.7
71.39626	0.3
73.02547	0.5
73.02917	7.6
77.63657	0.3
81.03403	0.5
85.02913	5.5
87.04457	0.4
92.17920	0.3
97.02901	3.5
109.02840	0.3
115.03921	1.4
120.56776	0.3
120.76493	0.4
127.03901	1.5
133.04915	0.4
139.03893	1.7
145.04916	0.6
153.01849	2.2
153.05479	3.7
165.01855	1.5
181.04930	0.5
207.06454	0.4
259.06042	0.5
261.55130	0.3
269.04492	0.6
286.04651	2.4
287.05493	6.7
291.08646	1.9
314.04388	0.6
315.04898	2.9
331.04446	1.2
332.05270	3.5
333.05957	0.4
347.07605	100.0
389.87079	0.3
479.04828	0.3
479.11969	0.5
498.01407	0.3
509.12988	1.1
530.90710	0.3
586.38409	0.3
600.89117	0.3
606.03516	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	641.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
57.03438	10.8
57.30369	1.4
61.02927	1.7
66.14600	1.4
69.03417	9.5
69.07043	1.4
73.02603	1.5
73.02920	23.0
73.04130	1.4
74.95553	1.6
75.41605	1.7
76.55032	1.4
79.05487	3.7
81.03399	2.0
81.07043	3.4
83.04986	1.5
85.02890	2.0
88.61801	1.7
91.05432	2.8
91.71918	1.4
93.07029	7.4
95.04948	11.1
97.02869	8.9
97.27396	1.4
105.03388	100.0
105.04480	5.4
105.07030	14.7
107.04945	2.3
107.08587	2.0
109.06498	2.5
115.03862	1.9
117.07014	1.7
119.04893	1.6
119.08547	7.9
121.06472	8.3
121.10123	7.2
123.08099	2.2
129.84663	1.5
131.08539	9.2
133.06487	8.6
133.10091	7.7
133.58232	1.4
135.08044	3.1
143.08566	8.4
145.10126	8.6
147.08029	6.5
149.05917	3.1
149.09605	8.1
155.08603	2.6
156.86551	1.5
157.10112	7.4
158.32637	1.7
159.08076	9.5
159.11690	2.2
161.05940	1.5
161.09634	10.3
169.10129	8.3
171.11656	2.4
173.09647	7.0
177.09082	7.7
179.08513	2.7
180.09314	3.1
181.10126	6.2
182.10945	2.0
183.11711	7.5
185.09668	1.9
187.11252	2.5
192.09300	2.3
193.10112	11.6
195.11668	9.5
197.09644	6.6
197.13193	1.9
199.11127	3.4
206.10878	3.6
206.88226	1.8
207.11734	7.8
209.09618	3.4
209.13342	5.4
211.11143	11.8
213.09045	2.1
213.12819	3.0
215.10643	1.7
219.11690	2.7
220.12544	5.8
221.09604	2.2
221.13252	12.3
222.10353	2.1
223.11200	7.2
225.09055	1.6
225.16385	2.4
227.14352	1.9
229.12086	2.7
230.10814	2.9
233.09665	3.8
235.11171	1.9
235.14833	10.0
237.12749	10.0
239.10576	1.8
239.14247	3.5
245.13147	3.1
248.11954	3.4
249.12732	2.8
251.14334	2.2
253.15875	7.1
255.13783	2.8
263.14279	13.9
265.12149	5.7
265.15790	1.9
267.13785	2.9
276.11356	2.0
281.15399	15.1
291.13785	11.5
293.15326	2.0
299.16400	10.2
309.14743	18.9
327.15860	33.5
359.18558	2.2
369.16943	2.7
387.18048	7.7
441.18350	2.3
509.21838	35.3
641.16345	2.4
641.26080	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
57.03424	1.3
69.03407	2.0
70.37775	1.2
70.54983	1.3
73.02917	2.7
79.11375	1.3
79.39661	1.2
81.03415	3.0
81.07058	1.4
91.05476	2.0
93.07024	2.7
95.04950	7.5
95.33708	1.3
104.49972	1.2
105.03391	99.6
105.04479	2.5
105.07010	8.3
107.04978	3.0
107.08588	1.7
109.06521	2.1
114.43515	1.3
117.06984	1.7
119.08534	2.0
121.06506	5.8
121.10159	1.4
131.08636	2.1
133.06505	3.0
133.10168	2.4
135.08022	2.0
147.08070	2.0
149.06012	2.6
149.09573	3.0
155.08612	1.7
157.10094	2.0
159.08003	3.4
161.09596	5.2
165.06961	1.8
168.75897	1.3
169.10066	2.4
173.09615	6.3
177.09059	17.0
179.08580	1.8
181.10188	2.1
183.11638	2.6
187.11340	1.5
189.09064	2.5
193.10094	3.0
195.08157	1.7
195.11642	5.6
197.09647	3.3
197.13205	2.8
199.11163	5.5
201.12616	2.0
205.10216	1.7
206.10851	2.0
207.11638	2.4
208.12569	1.5
209.09642	6.1
209.13268	2.7
211.11183	6.4
211.14803	1.7
213.12732	2.2
216.11562	1.6
220.12479	2.3
223.11140	6.0
225.09167	1.7
225.12793	5.6
227.10654	3.1
227.14221	2.4
229.12294	2.1
233.09586	2.0
235.11021	1.6
235.14799	2.9
236.11879	1.9
237.12737	3.0
239.10698	2.2
239.14282	2.9
248.12071	3.1
249.12773	1.9
251.14229	10.6
253.16058	1.6
253.64030	1.4
255.13766	2.3
263.14297	7.4
267.13840	1.8
279.13791	1.5
281.15350	2.5
307.54318	1.4
309.14899	6.2
327.15976	9.8
387.18045	1.8
509.21692	100.0
641.25928	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	641.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19476	1.8
52.46041	1.7
53.47897	1.7
57.03437	8.0
58.80015	1.9
58.91863	1.7
60.04083	2.0
63.80746	2.0
69.03425	10.1
73.02924	19.4
75.49237	1.9
78.43464	1.8
79.05485	4.6
81.07061	2.3
91.05477	10.8
92.18517	4.3
93.07016	6.9
93.61410	2.1
95.04960	11.9
95.08587	5.1
97.02866	4.5
97.69286	2.0
105.03397	100.0
105.04491	4.4
105.07016	14.8
107.04951	57.3
107.08624	4.0
108.05280	22.7
109.05598	2.5
109.06520	2.2
117.06947	2.3
119.08584	4.5
121.06515	5.0
121.10081	2.7
123.08079	3.2
125.53980	2.4
129.07024	3.3
131.08563	4.2
133.06483	8.6
133.10123	9.6
134.09659	26.8
135.08069	3.5
135.10010	19.7
142.05452	2.1
143.08490	7.3
145.10103	4.0
147.08047	8.8
149.06015	15.2
149.09613	9.1
150.06314	2.9
157.10139	5.0
159.08067	4.7
159.11641	2.9
161.09637	3.9
167.08470	2.4
169.10085	3.9
171.08157	3.3
171.11697	3.2
173.09634	3.7
175.07657	3.8
177.09106	10.9
181.10150	4.9
183.11681	4.8
185.09558	3.5
187.11205	3.9
189.08981	2.6
193.10205	13.3
194.11868	23.9
195.12057	30.3
196.12291	13.6
197.09587	2.8
197.12946	2.3
205.10088	2.6
206.10837	4.9
207.11755	4.3
209.09593	3.1
209.13257	8.0
210.10324	2.3
210.13840	2.2
211.11226	10.0
211.14845	4.1
213.09108	2.8
215.10799	2.4
220.12491	2.9
221.13339	4.6
222.10493	2.4
223.11122	4.4
224.11946	2.7
225.12715	4.0
227.10681	4.2
235.11263	2.7
235.14868	3.4
237.12801	10.3
239.14299	3.4
245.13174	2.4
248.11929	4.6
251.14285	5.1
253.15848	4.1
263.14371	10.3
265.12021	2.3
267.13971	3.3
279.13968	3.4
281.15338	13.8
291.13858	4.7
297.14941	2.4
299.16269	4.3
309.14917	11.2
311.16339	2.2
327.15897	25.4
387.17960	9.5
449.19327	2.4
509.21643	49.6
581.35614	13.4
641.26416	16.2
641.36664	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63500	4.4
55.05512	23.3
57.03438	10.3
57.07083	6.2
67.05515	61.6
69.07061	43.5
69.45985	5.1
73.43985	6.0
74.77869	5.3
79.05489	36.6
81.07082	88.2
83.08628	28.8
91.05483	19.8
93.07024	30.6
95.08591	100.0
97.10170	24.6
99.08095	6.0
105.07040	20.6
107.08594	23.1
109.06499	6.9
109.10157	51.2
119.08567	13.2
121.10130	33.6
123.11696	12.4
133.10100	20.8
135.11691	11.0
137.13297	6.3
147.11716	8.7
149.09625	5.9
161.13330	19.4
165.12772	7.2
173.13371	6.9
198.73729	5.9
213.34476	5.9
279.23251	33.1
297.24261	21.1
315.25098	7.6
327.25247	32.7
371.27994	7.8
623.48700	20.8
641.40613	6.7
641.50702	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	642.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91331	0.6
69.03446	1.0
78.03459	1.5
81.03417	5.9
83.57278	0.8
85.02890	1.0
91.05476	28.1
97.02914	1.1
106.02912	17.7
107.04958	2.1
109.02850	2.0
119.04919	5.4
122.03642	3.6
124.03949	55.4
125.96601	0.8
127.15786	0.8
129.07013	3.6
134.09642	10.0
137.05972	100.0
145.06441	0.9
157.06505	5.2
165.05453	1.3
174.06764	3.4
175.07530	54.3
177.09174	1.6
187.07552	13.2
189.09099	12.5
194.11792	3.3
201.05457	1.6
209.13312	1.5
210.11221	30.5
211.11292	0.9
215.06969	6.7
227.14290	1.0
233.08078	40.6
250.07265	1.8
251.14380	1.1
254.21570	0.8
268.08124	44.5
279.10101	1.4
287.21750	0.9
311.12686	1.6
313.18073	1.0
313.95154	0.8
357.13361	1.2
522.28381	5.1
582.30475	4.8
624.20856	35.9
642.21564	28.9
642.32611	17.9
642.43915	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	642.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01870	0.7
57.49643	0.7
63.45605	0.7
65.03953	0.8
67.05510	1.2
69.03430	1.7
69.07067	1.1
76.25511	0.7
79.05502	3.1
81.07060	3.3
83.04985	3.1
91.05482	92.2
93.07034	5.1
95.04970	8.6
95.08599	3.8
97.06544	3.7
97.07578	0.7
103.05479	3.2
103.11826	0.8
105.03394	51.6
105.04482	1.5
105.07031	11.4
107.04939	1.5
107.08611	7.7
109.06514	4.8
109.10164	3.9
111.08074	1.5
117.07034	3.2
119.04941	20.8
119.08569	16.1
120.08129	10.1
121.06506	5.2
121.10159	8.7
123.08074	6.6
123.11700	1.5
129.06978	1.2
131.04922	8.3
131.08585	8.5
133.06512	1.7
133.10123	7.5
134.09656	23.1
135.08014	6.0
137.05884	0.7
137.09618	4.0
141.06970	1.0
143.02686	0.8
143.08585	5.7
145.06470	3.0
145.10127	8.8
147.08028	7.4
147.11655	1.3
149.09630	5.1
155.08554	3.1
156.09326	1.5
157.10138	7.5
159.08063	5.5
159.11661	3.5
161.03687	3.1
161.09630	7.1
163.07509	0.9
163.11191	1.4
165.06950	0.9
167.08578	3.7
169.10101	6.7
171.11659	6.0
173.09589	6.6
173.13322	2.7
175.11215	3.8
177.09111	3.2
179.08565	3.6
181.10121	6.4
182.10890	1.4
183.08104	0.8
183.11700	9.9
185.09599	5.5
185.13269	1.9
186.10594	0.9
187.11240	3.9
192.09349	1.8
193.10159	3.9
194.10960	1.2
195.11707	8.7
196.12502	1.3
197.09631	3.2
197.13231	10.0
199.11183	13.3
200.12032	1.6
201.09160	0.9
201.12755	1.7
206.10881	1.4
207.05792	1.9
207.11674	6.6
208.12459	2.8
209.09630	3.9
209.13303	5.1
210.11267	74.5
211.11214	7.5
211.14825	1.9
212.12019	4.6
213.09210	0.9
213.12755	3.7
215.10655	1.0
215.14220	0.9
219.11719	3.1
220.12704	1.1
221.13289	3.1
222.14001	1.0
223.11220	3.7
223.14819	4.8
224.12083	1.2
225.12724	12.1
227.14343	1.5
229.12245	0.8
233.13341	3.4
234.14038	4.4
235.11201	1.7
236.12021	1.0
237.12788	1.8
237.16376	3.3
238.09993	0.8
239.10577	0.9
239.14355	4.7
239.17867	1.4
240.11583	1.5
247.11215	1.1
247.14761	1.4
249.16531	1.7
251.14331	3.7
252.12686	0.9
252.15114	1.7
253.12242	4.9
261.10397	4.8
262.13519	1.1
265.16016	4.3
267.17514	3.1
269.11133	1.7
269.15359	1.0
271.08932	1.4
275.14526	3.0
277.15787	1.0
280.14728	1.2
283.12619	0.9
283.16919	1.2
287.16525	4.4
289.09900	5.0
293.15366	3.7
295.17004	1.4
301.13617	3.6
303.11530	0.9
305.12994	1.0
307.10934	10.6
311.11853	2.4
311.16559	1.3
313.17996	1.1
319.14600	3.0
329.12976	9.4
337.78714	0.8
347.14096	16.5
365.15097	10.0
367.13077	77.8
389.15100	1.8
404.22409	3.3
407.16119	9.3
425.17273	3.1
427.15338	1.2
467.18298	5.1
469.17575	1.0
511.19321	0.9
529.20135	3.1
582.30585	1.9
589.22144	4.7
607.23309	3.3
624.31488	7.7
642.32751	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	642.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22979	5.0
65.51099	4.6
69.03411	3.9
91.05464	43.3
92.17828	8.8
95.04959	26.7
97.06514	7.2
105.07041	11.6
107.04941	5.3
109.06511	47.2
111.04444	6.1
111.08074	5.8
113.06001	21.0
117.06989	6.7
119.04953	8.4
121.06462	9.9
123.04390	11.2
123.08096	7.5
123.63702	5.0
125.05981	19.9
129.06975	6.7
131.08623	7.6
133.06465	10.1
134.09628	11.6
137.06021	7.7
138.18346	4.7
139.07559	23.3
141.06943	8.4
143.08569	7.3
145.06476	33.3
147.08028	10.5
155.07323	4.6
155.08484	13.5
157.10146	6.5
159.08012	7.9
161.06021	7.3
163.07545	27.5
165.06987	7.3
167.08568	17.4
169.10150	6.2
171.08060	20.9
171.11674	7.3
173.09705	6.2
175.07510	5.4
179.08495	6.4
181.08553	21.7
181.10147	29.1
183.08054	28.7
185.09616	10.0
187.07574	10.0
189.09035	6.6
193.10147	28.7
195.08109	6.5
195.11708	37.0
197.09616	10.6
199.07561	6.8
199.11192	10.5
204.09421	7.3
205.10167	10.1
207.11690	23.6
208.08815	7.2
209.09637	10.4
209.13313	19.7
210.11290	48.7
211.07565	8.0
211.11259	19.8
213.09175	8.1
213.12660	9.7
218.10890	5.4
219.11719	32.6
221.09596	21.9
221.13303	10.5
223.11124	48.1
225.09087	5.2
225.12827	8.5
227.10555	5.3
232.08754	7.1
233.09671	6.1
233.13266	21.8
234.10333	7.3
235.11145	27.8
237.12744	57.3
239.10703	19.4
241.12241	28.6
246.10536	7.9
247.11270	19.7
249.12738	26.8
251.10661	6.0
251.14288	19.3
253.12184	10.2
255.13885	6.8
261.12790	27.1
265.12119	46.3
267.13870	11.2
277.12146	8.3
279.13773	33.6
281.11774	6.4
283.13257	42.2
289.12177	7.9
295.13382	25.1
297.14883	19.1
299.12701	6.6
301.14423	6.6
307.13235	39.3
313.14374	10.7
325.14331	96.0
343.15320	34.1
343.18930	6.3
367.15439	30.3
385.16547	67.3
427.17413	25.4
445.18628	69.4
487.19666	97.3
505.20816	25.3
547.22021	38.7
565.22748	19.2
607.23450	39.8
642.26764	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	642.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87589	6.1
59.90403	5.4
69.03423	9.1
91.05466	11.9
93.07035	26.6
95.04987	8.2
95.08598	6.8
105.07054	24.7
107.08586	13.6
109.06533	8.4
119.08577	24.4
125.36269	5.8
131.04926	13.6
133.10103	12.0
135.08035	100.0
147.08022	7.8
149.09627	37.0
155.08609	6.6
161.09578	42.4
169.10104	10.9
171.08183	6.5
181.10130	9.0
187.11215	24.8
195.11722	7.5
197.09584	9.0
209.13333	9.9
211.14764	7.2
237.12675	12.7
239.14304	46.3
251.17786	7.9
264.14978	8.9
267.68646	6.4
279.17410	45.5
297.18481	47.4
339.19403	18.4
417.22900	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	642.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82298	1.5
55.05510	1.6
56.20362	1.5
56.54528	1.6
67.05507	3.8
86.73138	2.1
91.05479	74.9
93.07018	2.3
95.08588	4.0
101.32113	1.7
103.05454	2.5
105.07037	9.7
107.08610	2.3
109.10185	3.9
117.86040	2.0
119.04926	12.4
119.08539	9.0
121.06506	2.4
121.10114	3.8
125.84190	1.8
131.08575	3.3
133.10159	7.7
134.09654	28.4
143.08577	3.2
145.10126	2.7
147.11627	2.2
155.08521	4.0
157.10095	3.6
159.11632	2.5
169.10118	4.1
171.11684	2.9
183.11693	4.3
185.09612	3.1
185.13287	2.1
197.13272	9.8
210.11253	100.0
211.14796	2.7
214.48949	1.9
223.14731	2.7
253.19496	9.6
271.20465	2.3
281.18945	4.3
286.58762	1.9
299.20053	3.5
330.97925	1.6
426.75601	2.0
624.35492	3.1
642.36511	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	642.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26097	1.4
66.76305	1.4
79.05486	10.1
81.07051	6.2
83.08567	2.0
91.05479	42.8
92.17850	2.0
93.07050	3.4
95.04935	3.2
95.08607	12.1
105.07018	16.0
107.04957	98.6
107.08572	9.6
109.06509	2.8
109.10147	2.6
117.06977	2.1
119.04922	9.5
119.08603	22.4
120.08052	2.0
121.06477	2.7
121.10107	7.4
121.11028	1.8
123.08054	11.2
131.08583	7.7
133.10147	15.4
134.09654	25.1
135.08076	6.9
135.11743	3.5
143.08588	9.1
145.10146	15.5
147.08127	3.1
149.05988	22.7
155.08522	7.1
157.10109	10.6
161.13232	2.6
163.11174	2.3
167.08580	2.0
169.10066	4.0
171.11754	3.0
173.13222	2.1
175.11131	2.2
177.09030	2.0
180.10187	3.4
181.10362	3.4
183.11670	4.1
185.09607	2.1
185.13232	3.8
193.10243	2.6
194.11774	100.0
195.11707	8.6
197.13155	5.8
207.11784	2.2
209.13251	7.1
210.11270	33.1
223.14751	2.4
237.12788	2.3
239.17990	1.9
251.17860	3.3
265.19644	8.0
267.17535	2.1
269.18991	2.8
271.16916	13.7
279.17514	3.3
283.20663	2.3
297.18463	8.9
383.60428	1.8
449.25552	3.1
457.97238	1.7
642.34296	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17579	1.4
59.82449	1.4
67.05505	1.8
79.05484	2.4
81.07057	6.0
90.50726	1.5
91.05481	3.0
93.07070	3.3
95.04979	1.8
95.08604	6.5
101.25863	1.6
103.68468	1.4
105.07023	18.4
107.08568	10.8
109.06528	2.3
109.10151	1.7
117.07048	2.9
119.08572	18.6
121.06512	2.0
121.10133	7.3
123.08035	2.9
128.06213	1.5
129.07010	2.6
131.08557	13.7
133.10130	12.7
135.08034	3.3
143.08548	14.0
145.10088	11.4
147.08022	6.5
149.09627	3.4
153.07126	1.6
155.08545	14.9
156.78336	1.3
157.10109	8.9
159.08058	10.2
161.09625	1.8
165.07072	2.1
167.08534	2.3
169.10127	10.0
171.08046	2.0
171.11653	6.8
173.13324	2.1
175.11206	2.0
179.08549	3.5
181.10072	12.6
183.11720	3.6
185.09698	2.4
185.13216	2.6
191.08560	2.5
192.09378	3.2
193.10185	9.1
194.10912	3.6
195.11719	16.7
197.13254	3.4
199.11200	2.5
203.08633	1.8
204.09322	6.4
205.10144	7.4
206.10959	8.4
207.11729	13.3
209.09709	2.3
209.13245	19.6
217.10193	6.0
218.10904	7.4
219.11674	22.8
220.12479	9.4
221.13231	15.9
223.11165	3.0
223.14792	2.8
231.11716	21.3
232.12488	6.9
233.13266	8.4
235.14958	10.6
236.12262	1.5
236.15639	5.7
237.12704	9.0
237.16412	3.5
239.14290	2.3
246.14024	39.5
249.16583	2.5
251.17900	12.4
255.13629	1.8
261.16385	44.0
279.17456	17.9
297.18539	3.2
321.18420	5.8
339.19589	2.1
357.20544	2.4
446.38437	1.6
463.20911	3.3
523.23151	38.6
583.25110	100.0
643.27063	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19083	0.7
55.05482	1.1
56.60329	0.7
57.98872	0.8
70.26511	0.9
78.52103	0.8
79.05494	3.7
79.67941	0.9
81.07049	1.3
85.00602	0.8
91.05475	9.0
93.07032	2.1
95.04948	2.2
105.03421	6.6
105.07022	11.1
107.08600	2.0
109.06483	1.4
115.05439	1.9
117.07004	1.6
119.08599	6.5
121.10143	3.9
123.08065	1.5
128.06207	5.7
129.07011	1.9
131.07660	1.2
131.08560	20.0
133.06519	1.4
133.10126	23.9
135.08051	3.8
141.05225	5.4
141.06969	1.2
143.08554	16.0
145.10106	3.7
147.11682	1.8
155.08527	1.7
156.09438	0.9
157.10150	5.1
159.07956	1.0
159.11681	4.3
161.09584	6.3
167.08580	1.1
169.10156	1.7
171.11662	5.0
179.08536	1.4
181.10210	1.3
183.11644	3.1
185.09662	0.9
192.09265	1.3
193.10176	1.7
195.11617	2.0
197.13191	1.1
206.11028	1.9
207.11684	6.0
209.13261	1.5
217.83109	1.0
220.12315	1.0
221.13274	5.0
223.14862	1.2
233.13371	1.3
235.14838	1.7
248.15559	1.7
261.16382	1.1
263.17719	1.3
265.62088	0.9
288.56656	0.8
302.90027	0.9
311.16409	4.2
329.17487	5.5
345.18225	2.0
353.62518	1.0
363.19394	1.3
405.20432	3.5
406.06955	1.0
583.28522	4.3
643.30859	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	643.309
Annotation	Bonaspectin F
Peak:m/z	Relative Intensity
50.66018	2.0
51.23612	2.2
57.83302	2.2
58.40133	2.2
59.04999	3.0
61.88101	2.1
79.05484	2.7
81.07087	3.3
83.04981	2.4
93.07057	11.7
95.08556	2.7
101.06017	4.9
102.84505	2.5
105.07035	2.6
119.08492	2.8
129.07028	2.6
133.10135	10.3
145.10098	4.2
149.09662	3.0
155.08536	2.9
157.10115	5.5
169.10159	4.0
173.09612	2.6
181.10161	19.5
183.11623	4.3
193.10110	3.5
194.43193	2.5
195.11676	11.1
197.13298	2.7
207.11687	12.7
208.12506	4.6
221.02884	2.6
221.13242	15.2
222.14023	3.0
223.14841	11.3
233.13216	3.0
234.13954	3.0
237.16307	3.3
247.63168	2.7
248.15523	5.3
253.19566	3.1
263.17920	32.6
281.18988	4.6
319.44296	2.8
429.71725	2.9
635.08594	2.5
643.30719	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	643.3083
Annotation	Bonaspectin F
Peak:m/z	Relative Intensity
55.05511	1.2
57.24688	0.8
67.05490	1.2
81.07051	3.4
91.05462	2.0
93.07030	4.8
95.04954	4.8
95.08558	2.1
105.07000	6.5
107.08588	4.7
119.08568	8.1
121.10119	1.1
129.07024	1.3
131.08545	4.5
133.10129	13.6
135.08035	1.9
141.05167	8.3
141.06956	1.1
142.60703	1.0
143.08543	6.5
145.10112	3.5
148.46347	1.0
155.08574	1.2
157.10141	5.0
159.11671	2.1
161.09668	1.4
163.11124	1.3
169.10101	6.0
171.11647	4.9
173.13271	1.1
179.08600	1.1
181.10115	1.8
183.11667	3.6
183.42462	0.9
192.09344	1.2
193.10164	2.2
195.11732	4.0
197.13239	1.7
206.10883	1.6
207.11731	6.1
211.11121	1.3
213.09161	1.7
221.13283	8.4
233.13297	4.0
234.13988	1.2
235.14909	1.1
239.10522	6.5
248.15642	4.9
254.13039	1.3
255.10092	17.3
263.18024	5.5
281.18948	1.7
283.13257	1.1
297.14905	2.2
298.15710	1.7
299.16507	12.7
354.63638	1.1
376.83597	1.1
405.21216	1.2
424.73865	0.9
583.28717	6.2
596.09930	1.2
643.31018	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	643.3092
Annotation	Bonaspectin F
Peak:m/z	Relative Intensity
53.04891	1.3
57.07071	7.6
67.70175	1.1
72.28059	1.1
84.76701	1.1
89.01559	1.1
91.05489	2.1
93.07034	2.8
95.04951	2.7
97.79946	1.4
105.07041	5.2
107.08584	9.3
117.07024	1.6
119.08566	6.8
121.10072	1.5
121.45129	1.2
131.08582	2.8
133.06435	1.7
133.10126	8.3
135.08022	16.5
141.20412	1.2
143.08574	2.4
145.10161	2.9
147.08098	2.1
149.09604	9.3
153.96411	1.3
155.08566	1.6
157.10086	2.2
159.08144	1.4
161.09650	4.9
163.11212	1.6
169.10109	2.5
177.09073	1.6
179.08611	1.3
183.11711	1.8
195.11705	2.3
206.10901	2.6
209.13283	1.8
221.13206	5.3
223.11240	1.6
237.12743	2.1
237.16513	1.7
239.14420	2.5
246.13974	2.2
261.16440	1.8
262.46411	1.3
264.15118	2.4
279.17505	7.7
297.18655	2.3
298.23941	1.4
319.11575	1.3
583.28766	4.7
643.30865	100.0
655.35291	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	643.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35001	1.1
56.81637	1.3
59.71276	1.1
62.19559	1.0
63.19133	1.0
118.91225	1.2
121.35840	1.2
134.09631	1.6
135.10060	1.3
193.10104	1.4
202.73648	1.2
211.11217	6.3
212.08344	2.5
213.09052	13.5
215.10654	1.5
225.09137	1.4
227.10690	1.9
231.10307	1.4
235.14774	1.4
238.09808	1.7
239.10638	17.7
253.12334	2.1
253.16006	1.6
254.12955	21.2
255.10164	87.1
255.13789	26.9
256.10931	2.8
267.13757	2.9
269.11783	2.2
281.15323	1.7
283.13287	8.5
283.16489	2.0
297.14828	60.4
298.15570	10.8
299.16425	34.4
465.62659	1.4
625.31256	5.0
643.32574	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	643.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61938	1.5
81.07075	2.0
100.24284	1.7
138.82414	1.6
169.10117	8.4
181.10234	3.5
185.69972	1.6
193.10109	3.3
208.12460	2.2
209.09702	10.9
209.13196	1.9
211.11157	26.7
213.09138	13.1
215.10706	6.4
221.09601	4.0
223.11385	2.6
223.14825	40.0
224.08371	11.0
225.09117	2.3
227.10583	2.1
234.13971	2.3
237.09067	65.0
237.12553	12.4
238.09821	14.9
239.10648	84.1
239.14445	5.9
251.14267	19.6
252.15140	8.2
253.15926	9.8
255.10135	55.4
255.13074	2.8
255.13956	3.2
256.10913	6.2
256.86478	1.7
257.11850	7.7
264.11563	3.6
265.12289	6.9
266.13074	2.1
279.13925	16.1
280.14618	15.7
281.15363	43.6
283.13348	6.8
283.16592	2.2
298.15845	3.2
299.16391	95.6
320.02505	1.8
406.88266	1.7
478.43381	2.0
579.30872	6.8
597.32196	6.2
625.31598	100.0
643.32666	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.327
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73618	0.7
85.96455	0.5
149.06024	0.9
173.05956	0.8
176.55798	0.7
179.08556	0.8
185.09599	1.4
193.10155	0.9
197.09605	1.3
198.14093	0.9
211.11180	8.0
212.08258	2.8
213.09055	13.7
215.10666	1.5
221.09671	1.3
223.11186	0.8
223.14870	1.1
224.08313	3.3
225.09094	1.5
226.13545	0.8
227.10738	1.5
227.14252	1.4
236.11929	0.9
237.09082	1.0
237.12788	0.9
238.09917	3.3
239.10648	28.5
239.14409	2.5
240.11462	0.8
241.08609	0.8
241.12236	1.1
241.15912	3.4
251.14319	2.5
253.15910	3.8
254.13034	4.3
255.10129	80.1
255.13718	8.1
256.10916	3.3
257.11746	3.9
266.13165	0.8
267.10184	0.7
269.11700	1.2
269.15402	3.3
279.13925	0.9
280.14548	1.0
281.15411	5.5
283.13339	7.7
297.14780	18.6
298.15631	23.0
299.12823	0.8
299.13568	0.8
299.16400	59.3
643.32617	100.0
662.42578	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	644.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33765	1.8
66.32541	1.7
66.71133	1.8
67.05492	3.0
69.07065	2.6
73.10362	1.9
79.05474	2.1
91.05470	75.2
93.07043	8.7
95.08625	2.3
103.05420	2.3
105.07006	9.6
107.08588	8.0
111.76591	2.4
119.04937	18.4
119.08559	8.5
121.06552	3.4
129.07004	2.7
131.08563	8.7
133.10132	4.5
134.09647	16.1
135.08043	4.7
137.09663	2.0
143.08574	9.0
145.06448	3.2
145.10115	9.5
147.04413	13.3
147.08028	4.0
149.05969	4.2
149.09637	3.3
155.08543	8.2
157.10152	2.8
159.08035	4.5
159.11729	2.3
161.09587	17.4
165.06900	2.6
169.10095	13.9
171.08041	4.6
171.11740	3.7
173.09631	4.1
175.11108	2.3
179.08508	4.5
181.10146	4.4
182.10870	2.8
183.08035	3.7
183.11728	4.7
185.09593	3.4
192.09422	2.7
193.10086	3.4
195.11728	24.2
197.09622	12.4
197.13290	10.2
199.11179	9.0
205.10161	3.2
206.10895	4.4
207.11694	13.2
209.09660	9.9
209.13211	10.8
210.11270	100.0
211.11241	13.5
211.14751	3.6
213.12701	4.3
217.10173	2.2
220.12387	3.2
221.09782	2.5
221.13243	17.7
223.11145	51.4
224.11824	3.1
225.09114	7.9
225.12749	12.9
225.16321	3.3
227.10663	10.6
230.10928	4.2
232.12386	2.9
233.09549	4.2
235.14760	22.8
237.16353	2.7
239.10654	14.2
239.14349	8.3
241.12236	13.4
245.13243	9.3
247.14728	3.7
248.12038	4.7
249.12793	3.4
251.10582	24.3
253.08578	3.0
253.15898	10.5
255.13678	3.0
257.11475	2.4
263.14294	30.4
265.15878	4.7
267.10135	13.1
267.13779	8.6
269.11771	23.5
271.17175	3.1
273.12650	3.3
281.15256	22.6
283.17035	2.6
285.11197	7.7
285.14404	2.4
291.13705	15.5
299.16495	8.5
309.14767	42.0
311.12961	3.1
327.15869	29.4
329.13882	3.6
345.17044	3.6
351.15988	4.4
369.16995	18.3
375.18036	2.7
387.18066	19.9
389.15906	90.8
411.18024	4.1
429.19012	25.4
447.20035	17.5
471.20114	9.1
489.21069	18.1
507.22229	13.2
549.23303	12.5
644.34552	38.2
654.20380	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	644.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08747	1.0
64.15038	1.2
68.23435	1.0
79.05480	9.9
86.28465	1.2
91.05481	28.1
105.07035	2.3
107.04955	100.0
119.04946	4.7
119.08528	1.8
134.08624	2.7
134.09647	63.5
149.05986	24.7
155.08568	1.7
157.10132	2.3
159.07974	1.6
167.08635	2.0
169.10074	5.4
175.07527	1.3
177.01031	1.2
179.08609	2.3
181.10092	1.9
183.08127	1.3
183.11674	5.8
185.09552	1.3
192.09360	5.0
193.10120	1.7
194.11775	98.6
195.11728	1.3
197.09636	4.7
197.13272	5.3
207.11684	16.2
209.13277	4.6
210.11270	36.9
211.11147	2.9
222.10435	1.4
225.12721	18.8
235.11240	2.2
237.12624	2.3
253.12189	10.5
271.13315	2.5
448.24985	2.2
466.25864	14.2
496.26645	1.7
524.26642	6.0
532.93182	1.2
566.27368	2.4
584.28284	17.2
644.30634	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3427
Annotation	Vanilloylzygadenine
Peak:m/z	Relative Intensity
57.78083	1.9
57.96398	2.1
59.57607	2.1
64.30959	1.9
65.18533	2.4
71.25400	2.1
71.65675	2.4
79.05482	4.8
80.09308	2.2
81.07024	2.6
87.20980	2.2
90.90591	2.4
91.04907	3.4
91.05476	98.8
93.07080	3.4
95.04932	2.6
95.08628	3.0
99.84568	2.3
102.55963	2.6
105.07017	12.6
107.04974	2.8
107.08593	5.9
112.42133	2.3
116.01720	2.4
117.07062	2.8
119.04950	19.3
119.08572	13.6
121.10149	4.9
131.08511	3.6
133.10165	8.6
134.09656	36.8
137.05998	2.7
143.08549	3.7
145.10062	3.5
147.08046	3.8
149.41444	2.2
157.10130	4.9
159.11737	2.4
164.10709	3.4
169.10135	4.0
181.10220	2.6
185.13182	2.8
210.11258	100.0
341.74796	2.2
349.20743	2.4
395.14984	2.4
495.72119	2.7
608.32001	3.1
626.24390	2.5
626.33514	34.7
644.34180	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81337	1.1
79.05480	1.8
80.12840	1.2
91.05479	82.3
92.05803	2.0
93.07018	1.3
95.08594	1.8
105.07036	2.8
107.04948	52.3
107.08614	2.0
112.13988	1.2
119.04925	13.9
119.08570	14.6
131.08559	3.2
133.10147	1.9
134.09647	27.9
135.08110	1.6
135.10005	3.0
143.08589	1.6
145.10114	2.6
147.08025	1.6
149.05974	12.2
155.08572	2.6
157.10033	1.3
169.10135	7.8
171.11754	2.5
173.09579	1.4
181.10161	2.2
183.08047	2.2
183.11786	2.1
185.13313	2.0
192.10349	1.3
194.11774	56.5
195.11736	2.6
197.13322	2.5
207.11807	1.4
208.12547	1.5
209.13188	2.1
210.11238	97.9
211.11699	2.7
221.13324	1.5
237.12685	1.5
297.18561	5.1
315.19629	2.3
342.24063	1.3
520.40576	1.4
584.32275	2.0
641.15430	1.5
644.34265	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	644.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24364	0.6
57.01495	0.7
72.04527	0.7
74.83986	0.6
74.86072	0.6
79.05499	5.6
87.97975	0.7
91.05473	5.2
94.21050	0.7
98.13001	0.9
105.07024	2.7
107.04951	85.3
119.08595	1.2
119.31320	0.8
121.10206	0.9
133.06506	1.7
133.10188	1.0
134.09660	14.1
135.08041	0.9
149.05988	18.5
157.10139	0.8
167.08589	0.8
169.10147	1.3
173.09764	1.0
178.26770	0.7
181.10164	0.9
183.08058	0.7
183.11728	4.5
193.10150	1.4
194.11768	100.0
207.11642	1.0
209.13304	4.4
210.11322	4.7
211.11330	0.9
220.12331	0.8
222.10373	0.8
236.12753	3.4
237.12772	3.3
240.79858	0.7
244.12537	2.9
255.17531	0.9
267.17371	1.3
295.16940	2.9
297.14865	0.9
312.18286	0.9
313.18015	0.9
482.63602	0.8
490.26047	4.7
508.27036	11.8
644.34296	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48076	0.9
68.02528	0.9
69.07073	1.8
70.19151	0.8
72.86694	0.7
75.53991	0.8
79.05494	7.5
84.15460	0.7
90.15588	0.7
91.05495	1.2
95.08614	1.7
102.60508	0.7
105.07027	5.4
107.04955	90.5
107.08598	1.2
109.10190	2.0
114.38682	0.8
119.08573	16.3
123.08060	1.8
131.08582	4.4
133.06441	3.4
133.10098	1.3
134.09647	7.2
137.09612	6.4
143.08592	1.2
145.10115	3.3
149.05972	22.5
153.09138	1.6
157.10170	1.1
159.08095	1.2
159.11739	1.0
165.09048	0.9
169.10181	2.0
171.11713	3.2
181.10141	1.5
183.10175	6.5
183.11754	6.1
187.11160	0.9
193.10179	1.1
194.11765	100.0
195.11691	1.5
210.14024	1.2
212.92828	0.8
225.16420	3.4
236.12875	3.5
253.15767	1.0
271.16995	4.8
289.30243	0.8
331.19150	1.5
384.68723	1.1
398.29590	0.8
451.23407	1.8
644.34302	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81337	1.1
79.05480	1.8
80.12840	1.2
91.05479	82.3
92.05803	2.0
93.07018	1.3
95.08594	1.8
105.07036	2.8
107.04948	52.3
107.08614	2.0
112.13988	1.2
119.04925	13.9
119.08570	14.6
131.08559	3.2
133.10147	1.9
134.09647	27.9
135.08110	1.6
135.10005	3.0
143.08589	1.6
145.10114	2.6
147.08025	1.6
149.05974	12.2
155.08572	2.6
157.10033	1.3
169.10135	7.8
171.11754	2.5
173.09579	1.4
181.10161	2.2
183.08047	2.2
183.11786	2.1
185.13313	2.0
192.10349	1.3
194.11774	56.5
195.11736	2.6
197.13322	2.5
207.11807	1.4
208.12547	1.5
209.13188	2.1
210.11238	97.9
211.11699	2.7
221.13324	1.5
237.12685	1.5
297.18561	5.1
315.19629	2.3
342.24063	1.3
520.40576	1.4
584.32275	2.0
641.15430	1.5
644.34265	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	644.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37225	0.8
62.06092	2.1
65.85915	1.0
65.95840	1.1
69.07033	1.1
71.44252	0.8
73.93865	0.9
79.05472	1.2
83.04993	1.0
91.04909	1.9
91.05480	58.5
93.07029	4.0
95.04988	2.3
95.08587	4.3
97.06516	1.1
103.05482	1.7
105.03422	8.3
105.07028	8.6
107.04931	1.6
107.08599	5.4
109.06486	1.0
112.96593	0.9
117.07037	1.3
119.04941	10.9
119.05698	1.1
119.08581	30.3
120.08054	0.9
121.10160	1.9
122.65740	1.0
129.07066	1.1
131.08548	1.9
133.10144	4.1
134.09665	18.3
135.08076	1.1
135.11649	3.9
143.08562	1.5
145.10133	4.8
147.08028	4.7
157.10144	4.2
159.11685	2.1
169.10103	2.1
171.11682	2.1
179.08568	1.1
181.10252	1.1
185.09651	1.0
195.11766	1.4
199.11234	1.8
209.13387	2.3
210.11269	47.0
211.11343	1.8
211.14996	0.9
213.12866	1.1
223.15010	1.1
225.12645	1.6
289.17981	1.8
303.12961	1.0
349.13818	2.3
369.12790	15.0
511.60965	1.1
565.25031	1.0
644.34290	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	644.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82554	8.2
53.42596	8.0
58.73418	9.3
65.82936	9.8
81.07023	13.0
91.05444	12.4
93.07058	16.9
105.03413	23.2
105.06999	16.1
128.55344	12.3
131.08548	14.4
133.10034	10.2
143.08534	11.4
145.10146	19.4
159.08118	10.3
161.09746	10.9
183.11659	12.2
193.10155	19.8
197.09770	10.8
203.83926	10.0
206.10904	53.8
209.13315	11.6
211.14827	24.2
221.13232	100.0
239.14268	84.4
279.17487	19.7
297.18451	40.6
299.16449	62.9
312.16800	14.1
357.20435	12.6
359.18475	67.2
378.69037	10.5
399.21179	11.4
417.22815	66.3
581.69531	12.7
644.33148	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	644.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78083	1.9
57.96398	2.1
59.57607	2.1
64.30959	1.9
65.18533	2.4
71.25400	2.1
71.65675	2.4
79.05482	4.8
80.09308	2.2
81.07024	2.6
87.20980	2.2
90.90591	2.4
91.04907	3.4
91.05476	98.8
93.07080	3.4
95.04932	2.6
95.08628	3.0
99.84568	2.3
102.55963	2.6
105.07017	12.6
107.04974	2.8
107.08593	5.9
112.42133	2.3
116.01720	2.4
117.07062	2.8
119.04950	19.3
119.08572	13.6
121.10149	4.9
131.08511	3.6
133.10165	8.6
134.09656	36.8
137.05998	2.7
143.08549	3.7
145.10062	3.5
147.08046	3.8
149.41444	2.2
157.10130	4.9
159.11737	2.4
164.10709	3.4
169.10135	4.0
181.10220	2.6
185.13182	2.8
210.11258	100.0
341.74796	2.2
349.20743	2.4
395.14984	2.4
495.72119	2.7
608.32001	3.1
626.24390	2.5
626.33514	34.7
644.34180	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93466	3.0
66.97491	3.8
73.45919	3.7
78.51296	3.8
93.64656	3.4
108.69000	4.2
117.07035	4.0
119.08533	6.7
131.04883	4.5
164.80443	3.8
169.10207	4.0
173.09534	4.6
222.62477	4.6
240.46956	3.6
645.26410	100.0
645.35858	5.1
657.71552	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	645.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61544	1.0
61.80210	0.9
64.53879	1.1
65.09229	0.9
77.70144	1.0
81.07048	1.2
93.07008	3.5
109.06532	1.3
119.08556	1.2
121.06489	2.1
133.10150	2.3
143.08498	1.5
145.06499	2.2
145.10167	1.3
145.89603	1.0
151.05606	1.1
157.10106	5.7
163.11284	1.4
169.10080	1.5
169.38144	1.2
171.11659	5.4
173.09694	1.3
175.11157	1.7
195.11729	2.5
205.10252	1.3
211.14728	1.7
213.16443	1.1
237.16261	5.7
247.14915	1.6
265.15872	6.8
272.23334	1.1
283.16931	2.3
347.16071	4.5
369.69354	1.2
407.18179	5.3
467.20648	1.3
516.92065	1.2
525.24353	1.2
526.93048	1.3
585.26874	4.9
645.28741	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	645.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.8
56.04087	1.4
67.05511	42.2
69.07072	13.7
73.12572	1.5
74.38593	1.5
79.05506	18.9
81.06583	2.2
81.07059	51.3
82.52505	1.8
83.04980	1.5
83.08627	14.7
85.06524	1.9
91.05489	15.0
93.07033	27.1
94.98862	1.6
95.08038	2.2
95.08611	58.9
97.06532	9.4
97.10183	8.0
102.45265	1.4
105.07030	8.2
107.08589	23.3
109.10149	35.9
111.08075	8.5
113.09647	2.1
119.08583	12.1
121.10138	31.0
122.68269	1.5
123.11699	11.6
127.03913	34.0
131.08551	6.3
133.10118	24.6
135.11685	21.6
137.09602	3.3
139.03896	46.7
141.05429	3.1
143.54355	1.6
145.10194	5.0
147.11703	7.8
149.13246	7.8
149.97578	1.6
151.11201	6.3
153.01823	71.9
153.05403	3.3
154.23924	1.7
159.11711	2.5
165.05431	7.5
167.03426	7.8
173.13210	2.4
181.05045	2.4
215.17958	12.0
233.18993	8.8
234.01964	1.9
251.20021	39.3
277.14139	1.6
286.08267	1.6
359.22086	26.2
377.23199	100.0
388.66556	1.6
627.42346	10.6
645.43481	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	646.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52612	0.5
51.22193	0.5
70.06583	4.5
95.04958	4.1
99.68176	0.6
107.04959	8.0
119.04913	5.1
122.06007	0.8
123.04429	3.1
136.07574	1.3
139.03918	1.2
145.06531	0.9
147.04388	9.1
149.05948	1.1
151.03949	1.0
153.05492	3.1
161.05983	1.7
163.03954	2.8
165.05484	5.1
173.05960	1.7
173.09570	1.1
177.05440	1.6
177.31569	0.8
178.06277	3.6
179.07024	4.4
188.07130	3.7
189.05493	0.8
190.08754	1.0
191.07085	2.8
194.08109	0.8
199.07692	0.8
201.05495	2.5
203.07100	0.8
208.09735	1.0
219.06552	2.7
231.06628	0.9
234.53958	0.7
236.06999	1.1
241.08612	0.7
255.10132	1.1
257.08121	3.4
265.08490	0.9
271.09656	4.0
279.10089	0.9
281.08139	3.9
282.11194	12.0
283.09598	18.1
295.09796	2.7
297.07861	1.8
297.11270	3.2
299.09094	2.8
300.12265	12.0
306.11215	2.8
307.09711	4.0
308.09167	10.0
309.07578	21.3
311.09216	1.1
322.10620	2.5
323.09262	1.7
324.12244	1.0
325.10721	1.1
326.10214	25.8
340.11813	3.5
341.10178	0.8
342.13412	0.9
353.09988	1.0
370.12717	0.9
411.21402	0.7
460.14008	0.9
461.12262	5.1
478.15164	4.2
546.24396	0.7
646.22815	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	646.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51357	1.0
55.24347	1.3
57.55577	1.2
69.03437	10.2
71.40863	1.1
75.44592	1.0
76.26147	1.3
78.03455	12.3
81.03416	19.3
85.02897	8.8
91.05457	2.6
97.02878	2.8
99.04495	1.3
101.25631	1.2
103.05424	1.7
105.07027	5.5
106.02914	75.3
107.04959	2.3
108.05257	1.3
109.02883	16.1
119.04933	2.4
124.03945	100.0
127.03927	4.7
131.04944	11.0
133.02840	2.3
133.06528	13.3
137.05969	25.8
138.05559	1.7
147.04379	2.5
149.05988	1.9
151.07520	6.1
161.05974	8.7
163.07478	8.3
165.09067	2.6
181.08583	2.2
189.09067	2.5
194.11751	1.7
197.05711	1.6
203.07098	1.8
250.07098	8.2
268.08109	18.3
447.60410	1.4
448.15976	7.4
449.16763	3.0
566.82410	1.4
598.22864	77.9
603.85291	1.5
610.22559	15.7
628.23932	11.1
646.34619	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	646.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.18532	1.0
71.72665	1.2
95.04959	7.2
101.09702	1.3
105.03395	100.0
105.04491	3.6
107.04983	1.9
111.20322	1.2
121.06493	2.6
143.08577	1.4
149.05986	9.2
149.67970	1.2
157.77817	1.2
159.08029	1.6
161.09602	4.5
177.09134	1.4
185.09621	5.4
195.11609	1.9
197.09532	2.3
203.10846	1.4
211.11142	2.2
215.10626	2.5
223.11198	8.1
226.09641	1.4
227.10666	5.4
239.14354	1.8
241.12341	2.8
243.10213	2.0
251.10606	2.8
253.48233	1.3
263.14197	2.0
269.11743	4.9
280.86264	1.3
281.15256	2.6
291.13705	2.9
309.14822	8.1
329.13937	2.7
344.89624	1.4
369.16968	2.2
387.17987	1.7
429.18991	1.8
431.18457	4.7
447.19952	1.2
551.22839	2.4
593.23706	17.5
611.24976	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	646.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18589	1.1
52.34024	1.0
53.03957	2.0
53.50484	1.2
67.05518	2.3
79.05483	2.5
81.03439	1.7
81.07049	2.8
83.04987	1.3
85.02888	2.2
91.05477	5.0
92.17796	2.6
93.07049	9.5
95.04960	13.1
95.08609	8.2
105.03394	100.0
105.04504	5.0
105.07033	13.3
107.08576	2.8
109.06489	7.2
109.10185	1.4
113.02364	1.3
117.06992	2.0
117.34938	1.4
119.08571	5.1
121.06496	10.7
121.10147	10.4
123.04454	1.3
123.08038	5.1
131.08537	2.8
133.06496	13.4
133.10114	5.5
135.08066	4.3
137.09645	2.0
143.08588	1.4
145.06500	2.7
147.04459	1.6
147.08044	2.2
149.09615	9.8
151.07526	5.9
151.11182	1.9
155.08633	1.7
157.10130	1.8
159.08102	1.9
161.05969	3.0
161.09607	2.8
165.09132	5.1
167.08505	1.2
169.10110	3.0
173.84779	1.3
175.07547	1.3
177.09138	8.5
179.10732	2.4
183.11665	2.0
185.13213	1.4
187.11293	1.6
193.08549	1.6
195.11703	2.0
197.09702	2.5
197.13242	1.6
201.09125	1.9
201.12720	1.4
207.10168	4.9
209.13145	1.4
211.11221	1.8
213.12729	2.9
221.13312	1.8
229.12291	1.5
239.14362	1.9
253.15868	2.2
255.13893	2.3
281.15356	6.2
283.13013	1.8
287.12744	1.6
291.13480	1.3
299.16409	6.9
303.15805	1.6
309.14981	2.8
317.17276	1.9
327.15854	14.0
345.16898	20.0
375.87360	1.3
387.18710	1.5
447.20087	1.5
449.19669	2.3
509.21625	2.1
527.22644	6.5
646.27966	5.1
647.27301	1.5
658.12354	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	646.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37477	4.9
57.14544	4.8
82.54684	5.2
91.05480	27.2
95.04981	8.6
100.05511	6.7
102.03071	5.7
105.07040	7.7
119.04891	6.3
121.06477	7.1
133.06494	9.7
133.10143	8.7
145.06461	7.7
147.08073	8.9
151.07472	7.3
155.08554	9.1
157.10245	9.2
158.37973	6.4
159.08055	12.3
161.09636	15.0
171.07971	10.2
173.09618	6.4
175.07701	6.0
175.11244	7.3
177.09079	5.7
181.10106	9.8
185.09656	7.0
187.11147	6.2
189.09200	9.0
195.11652	12.7
197.09586	7.8
197.13147	19.9
199.11176	33.1
207.11708	32.3
209.09608	29.8
209.13264	10.5
210.11172	32.5
211.11192	44.2
221.13303	7.4
223.11188	25.6
223.14827	7.7
225.12666	56.0
235.11221	13.4
239.14313	11.9
247.14856	12.2
251.14288	26.4
253.12263	73.3
260.11887	13.8
265.15863	43.5
269.15338	7.0
271.13217	8.4
275.14301	27.3
283.13696	6.9
283.16815	11.9
293.15283	62.8
311.16422	46.3
313.14120	6.4
329.17416	14.4
353.17407	9.3
371.18460	39.3
389.19647	36.7
391.17429	100.0
413.19901	7.7
431.20621	40.9
449.21588	34.5
491.22836	22.1
509.22949	7.4
551.24957	13.0
640.98663	7.2
646.47852	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	646.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
80.67940	5.3
91.05495	10.2
105.07045	12.0
107.05006	5.8
109.06495	7.0
121.06475	8.1
133.06477	8.5
157.10187	6.7
159.08026	13.4
161.09586	20.6
173.09584	9.5
175.11174	9.2
183.11703	10.3
185.09715	5.8
187.11249	5.6
189.09167	7.5
193.10120	7.8
195.11739	27.0
197.09561	10.7
197.13229	6.9
199.11147	9.2
207.11755	13.3
209.09622	26.6
209.13264	10.5
210.11200	9.5
211.11220	30.9
213.12790	19.0
215.14255	5.5
221.13315	13.3
223.11227	26.7
223.14757	13.2
225.12767	50.0
227.10693	23.2
232.12453	19.0
235.11148	27.7
235.14386	6.9
237.12605	9.0
239.14276	9.4
241.12325	12.4
247.14825	32.5
249.12721	8.7
251.10623	7.7
251.14214	37.3
253.12231	62.7
260.11816	29.6
263.14282	23.6
265.15860	64.8
267.13806	10.6
269.15472	7.6
271.13293	24.1
275.14120	43.7
278.12811	7.6
281.15244	9.7
283.16904	34.7
288.58835	5.8
293.15311	85.8
311.16321	81.5
329.17377	22.7
353.17499	30.2
371.18488	24.2
389.19611	20.9
391.17490	100.0
413.19492	10.6
431.20377	43.3
433.18445	68.8
449.21832	8.3
473.21823	27.6
491.22754	72.3
533.23730	30.0
551.24805	36.0
593.26019	8.7
607.75262	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	646.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50558	0.9
54.67168	0.9
63.81607	1.0
66.51563	1.2
72.04536	1.5
73.95676	1.0
79.05504	1.6
81.07047	1.6
85.86504	1.0
91.05476	96.0
92.05801	6.0
93.07047	5.6
95.08589	5.2
98.15919	1.1
103.05474	1.9
105.07053	8.4
107.08567	5.8
108.23892	1.2
109.10159	2.1
111.08110	1.7
111.62823	1.4
117.06967	1.3
119.04937	18.6
119.08564	14.4
121.10152	8.6
123.08041	1.3
131.08562	6.4
133.10126	10.3
134.09654	39.0
135.11679	4.7
143.08528	2.2
145.10106	6.8
147.08035	2.7
149.09578	1.7
155.08488	2.0
156.09294	1.3
157.10146	5.5
159.11681	2.2
161.09592	1.4
163.11214	1.2
164.10684	2.4
169.10126	2.0
171.11682	4.9
183.11662	2.2
185.13188	2.1
193.10211	1.2
195.11742	1.8
197.13255	4.7
208.09677	2.4
209.13342	3.7
210.11238	100.0
211.11552	8.7
211.14761	1.8
212.11740	2.0
221.13390	1.4
223.14818	2.2
231.39116	1.2
249.16794	1.3
251.17938	5.1
269.19012	2.5
281.19083	1.9
299.20135	1.9
335.39307	1.3
538.31940	1.8
568.32745	2.6
610.33636	5.4
628.34650	36.2
646.35718	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70583	0.5
69.07047	0.7
72.04520	3.1
81.07045	1.1
85.02943	1.0
91.05474	75.0
93.07011	3.1
95.08585	1.6
103.05496	1.4
104.10759	1.6
105.07037	5.7
107.08595	4.8
109.06493	0.8
109.10158	1.5
119.04932	14.9
119.08559	7.8
121.06483	3.0
121.10153	4.8
123.08086	1.1
123.11650	1.0
129.07039	0.8
131.08548	3.3
133.10136	7.8
134.08620	1.2
134.09647	32.5
135.08023	0.9
135.11690	2.9
137.09592	1.0
143.08553	4.0
145.10114	4.2
147.04488	0.7
147.08038	3.0
148.59857	0.6
149.09561	1.2
150.42383	0.6
157.10141	3.2
159.11673	1.2
161.09673	0.7
163.11156	1.3
164.10727	4.8
165.09087	0.9
169.10143	1.5
171.11693	2.7
173.09483	0.8
173.13234	1.1
175.11203	0.8
181.10117	2.7
183.11699	3.5
185.13260	2.7
187.11040	0.7
192.10214	0.8
193.10204	0.7
195.11719	3.7
196.12488	0.7
197.13232	3.1
199.11029	0.9
199.14864	1.1
200.69269	0.8
207.11700	1.0
208.09639	1.3
209.13312	3.5
210.11241	100.0
211.11375	1.3
211.14795	1.0
221.13307	2.8
223.14751	1.5
225.16310	1.3
236.15627	0.7
241.15892	0.7
251.17964	3.0
253.19533	1.1
263.17990	1.1
281.19052	2.9
293.15332	0.8
299.20126	1.0
311.16476	4.5
329.17792	1.2
391.48669	0.7
419.12296	0.7
473.21796	1.4
538.31842	0.8
550.31677	1.1
568.32385	1.6
628.34753	27.1
646.35413	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	646.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97973	1.0
67.05470	1.2
72.04510	1.5
79.05487	1.1
91.05477	76.1
92.18504	1.1
93.07037	1.7
93.76411	1.1
95.08589	1.8
103.05508	1.2
105.07019	5.1
107.04947	2.4
107.08589	2.2
109.10152	1.4
112.69309	1.1
113.52460	1.0
119.04943	15.3
119.08582	8.9
120.09950	1.2
121.06476	1.4
121.10144	2.1
131.08611	4.0
131.66319	1.1
133.10129	6.5
134.09641	29.4
135.11678	1.3
140.82451	1.1
143.08522	2.1
145.10123	1.5
147.08067	2.2
157.10063	5.2
159.11700	1.4
163.11221	1.2
164.10712	7.3
165.09056	1.3
171.11726	4.3
185.13298	1.7
192.10213	1.4
195.11754	1.5
197.13303	2.5
208.09660	1.3
209.13206	2.5
210.11238	100.0
211.11441	2.0
237.16499	1.4
251.17848	1.6
263.17764	1.5
281.19016	2.1
359.22269	1.4
550.31598	1.6
568.32635	2.6
628.34631	22.9
646.34113	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	646.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33892	0.8
52.48559	0.9
55.43283	0.7
69.03411	0.8
69.07065	0.9
81.07037	1.4
83.08617	1.6
91.05476	84.8
92.05781	1.2
92.17943	1.8
93.07027	1.5
95.08591	1.9
97.06525	7.6
97.10176	1.1
105.07040	5.2
107.04926	1.6
107.08588	4.0
109.06472	1.2
109.10164	1.2
117.07028	1.8
119.04927	17.1
119.08566	8.4
121.06549	1.0
121.10122	3.9
123.08061	3.5
125.14122	1.0
130.32692	1.1
131.08549	7.2
133.10103	1.8
134.09651	26.4
135.08086	3.8
135.11684	1.4
143.08586	2.3
145.10158	4.4
149.09599	1.7
157.10152	1.7
159.11693	2.3
166.13145	0.9
171.11697	8.2
173.13258	1.7
183.11700	1.8
185.13231	1.3
194.11748	1.3
195.11884	1.1
197.13277	1.4
210.11237	98.4
211.11472	1.4
223.14880	1.0
225.16350	1.1
240.14716	0.9
295.75412	1.0
299.19919	1.2
327.43292	1.0
375.13162	1.0
425.69040	1.1
493.12308	1.0
646.35760	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	646.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12996	1.0
50.14287	0.8
52.61313	1.1
55.05518	1.5
55.39811	1.0
62.14236	1.1
87.65955	1.1
91.05476	87.9
92.05811	2.0
93.07040	1.8
95.08594	4.1
97.06517	5.2
103.05476	2.5
105.07033	6.0
107.04964	7.1
107.08576	2.4
109.10140	2.0
119.04931	18.1
119.08583	8.1
121.06564	1.5
121.10166	4.8
123.08089	1.3
123.11653	1.7
129.07025	1.3
131.08586	5.3
133.10117	2.0
134.09653	21.3
135.08066	1.6
135.11696	1.2
137.09558	1.4
143.08586	4.2
145.10156	2.4
147.11659	1.8
149.09663	1.2
157.10136	5.3
159.11713	4.9
161.13345	1.1
168.13535	1.0
169.10133	1.4
171.11700	7.7
185.13177	2.0
194.11783	1.6
195.11942	1.4
197.13281	1.3
210.11240	97.0
211.11652	1.6
213.12656	1.2
225.16403	1.3
299.20227	1.6
570.68079	1.2
573.91406	1.2
628.34955	2.6
646.35846	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	646.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87487	0.8
59.89399	0.8
60.49763	0.7
72.04532	1.1
75.35349	0.8
79.05493	1.3
81.07045	1.0
91.05479	94.6
92.05814	1.7
92.17668	0.9
93.07048	4.2
95.08605	1.8
103.05438	2.2
104.21680	0.9
105.07011	4.5
107.04971	2.1
107.08587	4.1
109.10133	1.8
119.04951	19.3
119.08554	10.2
121.06520	2.0
121.10143	4.1
123.08025	1.0
123.11744	1.3
131.08572	5.3
133.10107	2.0
134.08641	1.0
134.09660	27.0
135.08078	3.3
135.09976	4.1
135.11717	1.2
136.10349	0.9
143.08580	4.3
145.10112	3.7
147.08073	1.3
149.09625	1.0
151.11177	1.2
157.10173	3.9
159.11697	2.2
164.10710	2.2
165.11139	1.7
166.11333	1.1
169.10104	1.3
171.11739	1.9
173.09662	1.1
173.13275	1.0
175.11154	1.4
179.36861	1.1
181.10005	1.0
181.12178	2.0
183.11676	1.2
185.09598	2.1
185.13318	2.2
195.11717	1.4
197.13272	1.1
210.11244	95.7
211.11496	5.5
212.11844	1.9
225.12849	2.2
293.15396	1.1
299.20016	1.6
317.21085	1.7
389.20062	1.3
646.35791	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	646.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87487	0.8
59.89399	0.8
60.49763	0.7
72.04532	1.1
75.35349	0.8
79.05493	1.3
81.07045	1.0
91.05479	94.6
92.05814	1.7
92.17668	0.9
93.07048	4.2
95.08605	1.8
103.05438	2.2
104.21680	0.9
105.07011	4.5
107.04971	2.1
107.08587	4.1
109.10133	1.8
119.04951	19.3
119.08554	10.2
121.06520	2.0
121.10143	4.1
123.08025	1.0
123.11744	1.3
131.08572	5.3
133.10107	2.0
134.08641	1.0
134.09660	27.0
135.08078	3.3
135.09976	4.1
135.11717	1.2
136.10349	0.9
143.08580	4.3
145.10112	3.7
147.08073	1.3
149.09625	1.0
151.11177	1.2
157.10173	3.9
159.11697	2.2
164.10710	2.2
165.11139	1.7
166.11333	1.1
169.10104	1.3
171.11739	1.9
173.09662	1.1
173.13275	1.0
175.11154	1.4
179.36861	1.1
181.10005	1.0
181.12178	2.0
183.11676	1.2
185.09598	2.1
185.13318	2.2
195.11717	1.4
197.13272	1.1
210.11244	95.7
211.11496	5.5
212.11844	1.9
225.12849	2.2
293.15396	1.1
299.20016	1.6
317.21085	1.7
389.20062	1.3
646.35791	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	646.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07036	1.0
74.18489	0.8
77.97756	0.7
81.07063	1.4
91.05479	86.4
92.05799	1.8
93.07037	1.6
95.04956	1.2
95.08593	3.3
97.10192	1.0
100.49384	0.9
103.05452	1.6
105.07037	4.8
107.08609	6.1
109.06499	1.5
109.10170	1.5
119.04938	17.3
119.08588	8.9
121.06457	1.2
121.10134	5.4
123.08043	1.1
123.11691	1.9
131.08566	5.6
133.10136	1.8
134.09642	26.7
135.08047	3.3
135.10001	2.1
143.08531	5.0
145.10129	3.4
149.09648	2.1
151.11151	1.7
157.10190	1.8
159.11681	1.7
161.09627	1.1
164.10712	1.8
165.05418	1.0
165.11072	2.0
169.10141	1.1
171.11743	3.4
185.13240	0.9
187.14865	1.0
195.11829	1.4
197.13284	3.5
199.11171	1.0
199.14815	1.1
210.11243	100.0
211.11559	7.5
212.11795	2.1
213.12761	1.2
234.13907	1.2
299.20093	3.8
317.21112	1.4
371.18646	1.4
399.51974	0.8
520.45886	0.9
546.99396	1.0
586.31500	0.9
646.35797	86.1
660.58447	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	647.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00692	0.4
58.71635	0.5
62.14864	0.5
76.11822	0.6
98.65901	0.6
100.46786	0.6
102.92016	0.6
125.05984	0.6
139.03937	1.3
143.08597	0.6
237.12715	0.8
251.14236	0.8
407.14642	0.8
485.17584	0.8
506.28314	0.8
506.66620	0.7
527.18213	1.9
587.21008	7.4
647.23059	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	647.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52306	3.2
67.05497	15.7
69.03410	4.3
72.04838	3.6
72.08143	5.5
79.05502	6.4
81.03416	16.9
81.07056	20.8
83.08582	4.2
91.05471	23.3
93.07050	46.0
95.04972	26.5
95.08602	26.2
105.07047	35.2
107.08588	49.3
109.10155	16.2
115.05084	5.0
117.07006	6.8
119.08569	38.3
120.98055	3.5
121.10168	16.1
122.17632	3.1
123.11690	3.7
125.57435	3.3
128.06203	6.7
129.06990	3.9
131.08566	28.2
133.06429	6.4
133.10136	47.6
135.08049	100.0
135.11630	5.1
143.08546	69.7
145.10106	42.4
147.08008	3.9
147.11682	21.8
149.13263	5.1
155.08609	6.4
157.10158	22.6
159.11710	22.7
161.09625	41.3
163.11121	6.4
165.07048	4.0
167.08559	4.5
169.10089	7.9
171.11618	26.2
173.13268	7.4
181.10097	18.5
183.11665	14.2
185.13268	7.8
193.10179	4.8
195.11678	23.3
197.13245	5.9
201.12733	4.4
201.40627	3.9
209.13263	21.5
222.14104	3.5
223.14842	22.0
227.14226	5.0
265.19522	94.4
283.20502	33.9
325.21555	5.7
432.23221	3.5
503.30768	4.4
527.20862	7.1
545.21887	99.8
587.23224	7.2
647.25018	27.3
647.38361	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	647.274
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62672	1.5
79.05472	3.0
81.03416	2.2
81.07063	3.3
91.05465	6.0
93.07040	13.4
95.04960	7.0
95.08615	6.6
98.97594	26.3
99.09203	1.9
105.07047	10.0
107.08603	10.2
109.10185	2.3
116.98623	13.8
117.07014	2.1
119.08574	14.5
121.10143	3.9
124.99159	2.1
129.06970	2.4
131.08565	8.9
133.10141	22.0
135.08067	10.7
135.11707	2.2
143.00198	7.5
143.08551	7.3
145.10153	14.8
147.11667	3.2
152.57141	1.6
155.08517	2.7
157.01706	3.3
157.10147	8.0
159.11644	3.2
161.01218	9.8
161.09634	3.6
163.11263	1.6
171.11708	3.6
173.13289	2.2
175.02794	7.7
181.10110	2.2
182.70055	2.1
183.11642	2.4
185.13254	2.7
195.11728	5.6
197.69307	1.6
203.02225	20.5
209.13292	7.7
212.41808	1.6
221.03276	15.5
223.14755	3.1
227.47209	1.9
237.16255	1.7
265.19562	6.7
283.20627	2.8
339.16211	2.1
381.17294	16.1
399.18436	7.3
587.25580	8.5
647.27417	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	647.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54455	0.7
55.44402	0.8
56.51411	0.8
61.07632	1.0
66.34737	0.8
71.37028	0.9
71.37414	0.9
81.07045	1.0
85.02913	1.6
91.05478	1.2
92.17843	1.2
93.07055	1.3
95.04964	1.1
103.05469	26.8
105.07032	2.3
119.08611	1.6
121.10101	2.1
129.06993	1.0
131.04926	100.0
133.06496	1.3
133.10098	1.2
137.09634	2.0
143.08549	1.4
146.28931	0.9
147.08099	1.2
151.11230	1.0
155.08559	1.2
157.10098	1.9
157.19125	1.0
159.08075	1.6
159.11552	0.9
161.09506	1.0
163.11171	1.1
169.10185	3.8
171.08147	1.0
171.11720	1.5
179.08530	1.3
181.10078	1.1
182.10889	1.3
183.11571	1.2
187.11224	1.3
192.09245	1.2
193.10143	2.0
194.10582	1.2
195.11748	1.4
197.13232	4.1
199.11157	1.4
203.10623	1.0
205.10056	1.2
206.11020	1.1
207.10017	1.2
207.11748	8.4
209.09528	1.3
209.13290	1.4
211.11232	1.5
219.11665	3.8
223.11197	1.6
225.12730	1.9
234.14037	2.2
235.11165	1.4
239.10532	1.2
244.12363	2.0
247.11212	1.3
249.16408	9.2
253.15915	1.2
259.14737	2.2
262.13577	2.2
267.17398	3.7
277.15845	12.8
295.16937	13.8
313.18088	8.3
337.17801	4.6
355.19067	11.1
503.24332	1.2
545.25372	5.1
605.27100	4.8
647.27661	1.2
662.51489	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	647.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39355	0.2
52.20146	0.2
63.62365	0.2
68.41054	0.2
81.07058	0.3
94.28748	0.2
107.08582	0.4
109.06545	0.3
121.10123	0.4
122.06068	0.2
123.08121	0.2
124.07586	6.9
124.77369	0.2
126.09155	2.3
133.10129	9.6
135.08014	0.5
137.09607	5.1
137.10588	0.4
149.13254	1.4
152.07065	8.4
154.08626	100.0
163.14819	0.3
173.13275	0.9
191.14297	4.8
209.15359	4.6
214.12346	0.3
242.11703	0.3
244.11923	0.3
258.71500	0.2
259.14420	1.4
277.15460	24.2
476.30963	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	647.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70937	1.4
57.60313	1.4
68.05032	2.7
70.59453	1.4
85.07671	100.0
93.07047	2.9
95.04948	2.5
95.08608	3.3
107.08589	4.0
119.08557	5.9
121.10130	2.4
125.32398	1.6
127.06821	1.9
133.10124	13.1
135.08087	2.9
135.11682	2.0
145.10107	2.9
147.11703	1.7
159.11714	1.8
161.09654	6.6
165.60167	1.8
169.10078	1.5
176.88774	1.6
209.13329	2.3
234.84767	1.8
265.19543	8.5
283.20596	7.5
343.22827	2.4
343.90396	1.6
429.55249	1.8
460.56064	1.8
590.45795	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	648.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87387	0.8
61.56243	1.0
70.06593	8.2
86.02132	1.0
95.04972	1.8
106.84231	0.9
123.04421	13.5
135.04349	6.5
138.05486	0.9
139.03894	9.8
151.03893	5.9
153.05357	1.1
161.05984	4.9
163.03917	18.1
178.08646	1.6
179.07013	21.7
185.40652	1.0
188.06885	1.2
190.08690	3.5
191.06996	6.6
196.09718	5.9
201.05447	2.2
203.07008	3.8
208.09720	4.4
247.05989	2.3
253.08595	1.1
257.08084	1.7
259.05991	2.2
263.42908	1.0
269.15836	0.8
271.09467	1.3
281.08069	5.2
283.06018	4.0
285.07587	2.2
287.09274	1.2
297.07678	3.5
298.10629	7.6
299.05695	1.4
299.09131	12.0
308.09116	13.6
309.07620	24.8
311.09192	2.2
313.10880	1.2
316.11942	7.3
322.10916	1.3
323.09265	5.1
326.10211	38.5
327.08932	1.4
339.08804	4.9
340.11896	1.1
358.12872	4.7
460.13611	1.9
461.12207	5.3
478.14923	7.5
566.67328	1.2
618.53778	1.0
648.20728	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	648.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22568	0.4
51.74555	0.4
56.86742	0.5
57.28761	0.5
70.06597	7.0
84.58604	0.5
93.43723	0.5
95.04938	2.2
99.55625	0.5
123.04437	13.0
133.06435	0.6
135.04425	7.5
135.89642	0.6
136.07617	0.7
137.02380	0.6
139.03909	9.8
147.04352	1.2
149.06007	0.6
150.80475	0.5
151.03903	3.9
151.07584	2.0
161.05971	6.2
163.03885	19.4
163.07506	1.1
173.05943	1.3
175.07562	1.1
177.05489	3.0
178.08676	1.1
179.03471	0.9
179.07022	25.2
185.05975	0.9
190.08562	1.0
191.03424	0.9
191.07051	5.7
196.09647	4.6
203.07027	2.1
208.09691	1.3
229.05049	0.7
253.08505	0.6
255.70938	0.6
257.08160	1.3
259.06070	3.0
271.06064	0.7
271.09543	0.6
273.07590	1.1
281.05063	0.6
281.08014	3.7
283.06018	4.7
285.07593	2.2
286.83090	0.6
295.09680	1.3
295.53299	0.5
297.07489	4.2
298.10672	4.8
299.09058	7.2
305.08145	0.7
308.09158	12.0
309.07553	21.5
311.09097	1.3
313.10742	2.0
316.11856	5.0
321.07709	0.8
322.10825	3.6
323.09265	5.2
326.10223	28.6
338.10376	0.7
339.08658	7.4
340.11868	0.7
341.10526	0.8
358.12866	2.7
443.11377	0.8
460.13998	2.2
461.12186	4.6
478.15005	6.3
648.20740	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	648.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
55.25344	3.5
56.58710	3.2
56.83570	3.3
67.05495	5.6
69.03435	6.4
69.07041	4.0
71.04967	4.4
79.05495	7.1
83.08604	4.1
85.03871	3.7
91.05482	5.7
92.17838	5.3
93.07036	10.1
93.92904	3.7
95.04957	7.8
95.08623	9.2
97.06542	8.9
99.04486	4.8
105.03391	100.0
105.07002	27.8
107.08566	5.0
109.06496	4.8
119.08595	7.5
121.06509	21.9
123.08092	16.0
131.08539	9.1
133.06506	5.6
133.10109	8.9
134.09674	5.6
143.08528	17.0
145.06461	5.3
145.10121	16.8
146.07262	5.1
147.08015	9.5
149.05997	5.2
149.09581	6.1
149.48537	4.3
151.07474	4.9
155.08534	16.3
157.10162	9.7
159.08067	39.9
159.11720	4.5
161.09601	30.1
169.10106	19.5
171.08083	16.0
171.11670	9.6
173.09566	40.7
181.10088	28.4
182.10861	8.5
183.08163	4.9
183.11752	17.1
185.09584	8.4
187.11243	8.2
192.09343	7.7
193.10136	8.7
194.10878	7.7
195.11650	29.4
197.09619	17.6
197.11533	3.7
197.13312	22.5
199.11163	62.5
206.10951	5.5
207.11684	26.4
209.09612	20.7
209.13249	7.1
210.10349	5.2
211.11224	21.5
211.14713	6.3
213.09167	5.0
213.12674	15.6
215.10660	4.3
215.14291	4.0
223.11098	17.2
223.14766	8.2
225.12790	24.0
227.10609	42.5
232.12442	4.1
235.11188	9.2
237.16402	9.2
239.14304	7.8
241.12152	15.3
243.13768	5.7
247.14775	9.9
251.14374	8.8
253.12227	52.9
265.15826	24.7
267.13809	9.5
269.11551	7.0
271.13269	66.6
281.15518	6.7
283.16843	9.4
288.77533	4.5
293.15381	17.3
299.16565	4.6
311.16376	47.1
313.14487	7.3
329.17398	25.1
331.15396	74.7
371.18707	28.5
375.15729	6.5
389.19473	6.3
431.20587	9.8
491.22461	8.0
648.30920	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	648.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.2
54.91251	1.5
55.23765	1.5
67.05516	1.7
69.03436	1.8
71.04966	1.8
73.60855	1.7
77.61365	1.8
79.05484	3.0
80.13454	1.6
81.03436	1.8
81.07050	3.3
83.04965	2.2
91.05475	3.5
93.07013	13.6
93.31248	1.8
95.04936	12.6
95.08609	3.5
105.03391	100.0
105.04503	3.7
105.07030	13.8
107.08570	1.8
109.06487	3.8
109.10145	2.8
119.08598	1.8
121.06495	9.2
121.10129	6.9
123.04385	3.1
123.08043	8.4
133.06476	9.8
133.10138	3.0
135.08031	7.8
137.05971	3.4
143.08559	2.6
147.04341	1.9
147.08069	3.0
149.05983	3.7
149.09625	7.8
151.07513	2.4
155.08559	2.0
157.10109	3.6
159.08093	3.9
159.11630	2.1
161.05975	1.9
165.09108	2.8
169.10130	2.1
171.08093	3.2
173.09663	2.9
175.07545	2.5
177.09059	14.8
179.10634	1.9
181.54591	2.0
183.11708	2.3
185.09589	2.3
185.13214	2.1
187.11176	3.8
193.10110	2.7
195.11685	2.8
197.09734	3.2
199.11143	3.4
201.09109	3.2
204.68925	1.6
207.10042	12.0
211.11165	2.5
213.12631	2.0
215.10558	2.0
221.13191	2.2
223.11183	1.8
225.12729	3.1
227.10556	2.4
227.14151	1.7
229.12265	1.9
239.14273	2.5
243.13745	3.0
253.15884	2.6
259.13278	1.7
263.14291	2.4
269.11612	3.6
271.16748	2.2
281.15570	3.5
283.13181	1.7
285.15012	2.3
287.12772	10.9
299.16360	3.8
309.14828	8.3
317.17493	7.0
327.15933	16.0
345.16873	46.0
449.19681	3.0
451.91922	1.6
527.22791	34.8
544.32544	1.8
602.24921	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	648.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38628	1.8
81.96188	2.1
83.50606	1.6
91.05444	1.8
95.04956	9.6
101.45950	1.7
105.03394	100.0
105.04459	3.1
105.07022	11.8
118.85349	1.9
121.06466	2.8
133.06485	8.4
142.07751	1.9
143.08560	3.0
145.10138	2.6
149.09567	3.0
155.08577	1.9
159.08064	3.5
164.44438	1.9
169.10062	2.7
171.08058	2.9
171.11606	1.9
173.09607	3.3
177.09038	2.7
180.82487	1.7
181.10143	8.1
183.08081	3.3
183.11676	2.9
185.09621	7.6
193.10085	3.1
195.11778	3.0
197.02341	2.0
197.09540	13.3
198.10454	9.6
199.11177	43.3
207.11705	3.7
209.09587	8.0
210.10478	2.6
211.11160	47.7
223.11194	15.6
225.12756	26.9
227.10632	43.9
232.12650	1.9
235.11128	3.1
235.14766	2.5
241.12259	3.3
247.14778	3.6
248.12004	1.8
251.14235	4.1
253.12138	12.7
263.14371	3.4
265.15875	8.6
271.13306	8.8
275.14328	3.0
281.15475	3.8
293.15363	9.5
311.16357	7.6
313.10675	2.3
313.14304	70.0
313.17688	3.6
314.51187	1.7
316.35498	1.9
353.17551	7.4
354.77100	2.1
358.07425	1.9
371.18640	2.4
373.16455	33.5
435.17828	2.8
502.15512	2.0
535.22986	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	648.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70429	1.1
58.86378	1.0
67.39868	1.3
68.08055	1.2
69.03409	1.2
72.10391	1.1
83.04956	1.4
91.05511	1.6
92.18477	2.4
93.07047	2.4
95.04948	1.9
105.03403	13.3
105.07029	5.6
107.08630	1.4
109.06500	2.6
119.08551	2.5
121.06496	6.9
123.08008	2.2
131.08553	2.7
133.06505	2.9
135.08118	2.0
143.08536	5.2
145.06390	1.5
145.10181	1.5
147.08032	2.6
149.09615	2.9
149.12946	1.2
153.02913	1.3
155.08571	4.9
157.06493	1.3
157.10121	5.6
159.08012	6.2
161.09602	6.0
166.07634	1.3
167.08563	2.8
169.10146	8.5
171.08081	6.8
171.11615	1.8
173.09595	5.9
175.07532	2.0
177.09035	3.1
179.08594	2.1
181.10106	6.0
182.10872	2.1
183.08000	2.1
183.11685	6.1
185.09639	6.7
189.09103	1.8
192.09273	1.9
193.10094	2.1
195.11598	10.4
196.08946	1.5
197.09618	6.6
197.13264	5.5
199.07489	1.5
199.11163	14.5
201.09074	1.5
207.11719	10.4
209.09602	7.3
210.10353	2.9
211.07379	1.4
211.11185	14.2
212.08224	2.0
213.12738	8.5
217.10172	1.8
221.13220	2.4
223.11156	11.3
223.14832	2.3
224.12059	1.8
225.09148	1.7
225.12682	16.4
226.09712	1.5
227.10696	10.3
232.12512	1.7
235.11142	5.6
235.14456	1.4
237.12860	2.2
238.09973	1.9
239.10751	2.2
239.14250	2.4
241.12172	10.7
241.15930	1.6
243.13763	1.5
247.14720	2.0
251.14340	1.9
253.12209	9.1
257.15482	1.9
265.15811	2.2
269.11777	1.8
271.13336	8.7
281.15302	1.8
283.16971	3.0
293.15317	7.9
299.16577	1.7
311.16443	9.5
329.17484	5.4
331.15366	100.0
353.17639	1.4
371.18298	6.3
389.19662	5.6
431.20523	2.3
435.18005	1.4
449.21799	26.7
491.22891	9.6
542.76373	1.4
648.30408	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	648.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28626	2.4
58.70990	2.8
60.51870	3.1
62.46572	3.1
78.15750	2.9
78.60690	3.1
95.04949	6.9
105.03381	95.5
105.07012	14.4
121.06502	5.2
121.10113	3.8
123.08090	3.5
133.06500	6.3
135.08052	3.4
143.08572	5.4
147.08086	4.1
151.07545	14.7
155.08566	4.0
159.08076	7.1
161.09616	11.3
169.10170	3.9
171.08034	4.6
173.09608	4.5
177.09145	5.4
181.10059	14.1
185.09605	3.3
192.11052	3.3
193.06393	3.2
193.10214	6.2
195.11708	3.4
197.09619	20.9
197.13232	4.0
199.11185	65.3
207.11678	5.8
209.09721	7.8
211.11171	59.6
223.11162	18.1
223.14842	5.5
225.12735	39.0
227.10623	54.0
235.11334	5.2
237.16382	4.0
251.14125	3.4
253.12233	20.7
265.15808	5.8
271.13266	13.7
293.15424	13.5
311.16428	14.3
313.14276	100.0
353.17554	4.2
371.18484	5.4
373.16443	42.6
433.18939	3.7
447.97043	3.4
475.21320	7.5
493.22122	14.1
535.23444	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	648.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
54.02746	1.7
66.41198	1.3
67.05484	2.9
79.05502	2.6
81.07040	1.6
91.05486	7.6
93.07041	16.4
95.04984	10.4
95.08586	3.5
105.03397	100.0
105.04494	3.6
105.07017	12.8
107.04942	6.3
107.08585	2.2
109.06548	2.6
119.04940	2.4
119.08571	2.4
121.06510	9.2
121.10117	14.0
123.08041	6.1
129.75623	1.6
131.08551	3.0
133.06465	13.2
133.10118	2.7
134.09618	2.4
135.08055	2.8
137.05984	2.0
137.09622	3.4
143.08623	1.6
147.04341	3.2
147.08020	2.2
149.05983	6.0
149.09613	6.5
151.07550	3.4
155.08533	2.0
156.09424	1.6
157.10143	2.8
159.08014	3.2
159.11668	2.1
161.09653	6.6
163.11128	1.8
165.09085	3.3
169.10123	2.5
171.08018	2.2
173.05959	2.1
173.09673	2.8
177.09019	10.7
179.10640	5.3
183.11739	2.8
187.07567	1.6
187.11151	6.0
194.11790	1.8
195.11786	2.3
197.09663	2.8
199.11174	3.6
199.51291	1.6
201.12730	2.2
207.10143	10.0
211.11264	3.4
213.09201	2.5
213.12823	2.3
215.10747	2.5
227.10573	1.7
227.14319	2.0
229.12418	3.0
239.14377	2.3
241.12248	3.3
262.06256	1.6
269.11853	2.2
273.99335	1.7
281.15366	3.0
283.13303	3.4
285.14871	2.2
287.12793	3.5
299.16510	3.4
303.15842	1.9
309.15054	2.2
317.17508	6.1
327.15887	18.7
345.16953	32.7
351.89267	1.6
449.19809	1.9
492.93729	1.6
527.22760	26.9
648.30786	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	649.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92302	0.9
68.72494	0.8
69.61934	0.8
74.29758	0.9
93.07023	1.0
95.08607	0.9
103.05482	9.3
105.07010	1.7
109.06527	1.2
121.06461	1.1
121.38522	0.9
123.08047	1.0
131.04927	37.9
131.08525	1.7
135.08043	3.3
143.08614	1.3
147.08060	1.3
169.10149	1.3
173.09613	1.2
181.10138	3.6
185.09756	1.5
195.08078	1.1
195.11742	4.6
197.09625	2.3
199.11284	1.0
204.09399	1.0
207.11612	1.2
208.61580	0.9
209.09706	1.7
209.13292	4.0
211.11122	1.3
213.09090	1.7
213.12854	0.8
219.11707	2.0
221.09702	1.1
221.13345	1.7
223.11140	1.1
224.11957	1.4
225.09016	7.6
231.11835	1.8
234.82683	0.9
237.12782	3.8
237.16470	1.1
239.10623	0.9
239.14348	3.8
246.13922	6.7
249.12794	3.4
251.10709	1.3
251.17963	1.9
252.11470	1.9
253.08586	4.5
257.11801	1.1
261.16376	10.0
262.09830	1.7
267.10507	3.1
267.13803	34.1
277.12347	2.0
279.17377	11.5
280.07501	1.3
280.11124	2.0
281.08221	1.5
281.11700	1.2
281.15460	1.0
295.13278	100.0
296.10464	5.9
297.18597	6.3
309.11267	3.4
309.14722	1.2
321.18311	2.1
323.12698	19.7
323.15997	1.4
324.13660	1.6
327.15973	3.7
339.19608	2.0
343.17780	1.0
487.25183	2.2
649.27948	90.4
675.61542	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	649.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.35489	0.8
61.69221	0.8
66.50547	0.9
68.23850	1.0
80.01353	0.9
81.07061	1.7
86.04461	1.0
86.46474	0.9
91.05448	1.1
92.17854	1.5
93.07087	1.2
97.06565	1.1
98.08807	0.9
100.36140	1.0
103.05455	16.1
105.07040	1.4
113.92950	1.0
117.07095	1.2
119.08601	1.8
129.07013	1.1
131.03943	2.4
131.04922	56.0
131.08611	1.9
133.10185	1.4
135.08040	2.0
143.08557	1.8
145.10164	1.4
145.63388	1.0
155.08582	1.7
161.09619	2.4
163.07587	1.8
169.10091	5.0
179.08536	0.9
181.10141	3.9
183.11694	1.1
185.09637	1.6
187.11151	1.5
193.10124	1.8
195.08217	1.5
195.11635	7.3
197.09573	2.2
199.07587	1.2
201.09099	0.9
204.09300	1.7
205.10147	1.9
207.11879	1.0
209.09657	1.6
209.13286	4.6
211.65779	1.0
213.09003	1.4
219.11699	4.5
220.12552	1.6
221.13300	4.9
223.11235	4.1
225.09105	6.8
231.11719	5.6
236.11932	1.4
237.12762	5.5
237.16452	2.2
239.10686	1.4
239.14339	2.0
246.13989	8.3
249.12729	5.5
251.10704	1.0
251.18021	2.3
252.11488	1.4
253.08626	4.9
253.12102	1.5
255.10194	1.6
257.11655	1.6
259.70316	1.0
261.16357	15.3
262.09750	1.1
264.15155	1.3
267.10056	2.1
267.13809	32.6
279.17401	19.5
280.10919	1.4
284.98373	1.0
295.13272	100.0
297.18481	7.4
309.11407	1.2
321.18610	4.1
323.12769	19.6
324.13669	2.1
327.16022	2.2
339.19626	2.4
357.20660	1.2
487.24811	5.5
547.26910	2.0
649.27948	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27029	5.5
55.45157	6.3
57.07090	11.7
69.07047	10.5
79.05515	9.2
81.07098	9.8
91.74144	7.9
93.07021	6.8
103.05499	17.1
105.07012	11.7
106.43579	7.1
119.08574	28.5
131.04964	66.7
131.08621	9.3
133.10103	11.8
143.08545	8.5
145.10175	12.6
171.11703	9.0
179.08507	9.0
181.09990	11.3
183.11726	8.7
193.10173	12.4
195.11792	16.7
207.11726	11.8
208.12442	9.5
209.13298	17.1
212.17007	8.3
219.11714	15.2
221.13298	28.5
231.11703	60.9
235.14850	11.6
246.14001	92.0
251.17914	12.7
261.16321	100.0
279.17413	50.3
320.91776	8.2
321.18546	10.7
450.82361	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	649.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32669	6.5
76.70815	7.5
87.95374	9.1
103.05442	15.4
119.08611	11.4
131.04936	50.6
133.10112	10.1
145.10216	10.3
155.08524	9.7
157.10208	9.6
181.09973	10.2
190.69623	7.9
190.71371	8.1
192.58054	9.5
193.10130	12.4
195.11604	13.7
207.11801	9.2
219.11707	9.8
221.13220	15.6
231.11742	48.6
245.13237	9.3
246.14049	63.8
251.17781	15.2
261.16330	100.0
279.17474	47.8
312.90076	8.7
345.36377	8.9
550.73260	9.3
630.72046	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	649.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32845	3.8
58.15324	3.6
66.03240	4.1
72.37807	4.3
74.13313	4.5
79.05445	4.8
81.07059	5.2
85.07643	7.3
91.05474	8.6
93.07033	9.1
97.31211	5.1
103.05478	8.5
105.07010	11.1
105.53864	4.6
107.08583	6.8
119.08562	5.7
126.37780	5.3
131.04950	49.0
131.08585	7.8
133.10057	16.2
159.07976	9.5
162.70872	5.3
164.80943	4.7
169.10127	8.7
171.11803	4.7
181.10025	6.0
183.11708	8.1
193.10139	7.4
195.11693	8.0
206.10973	20.1
207.11636	20.6
209.13264	10.5
218.10963	5.2
219.11691	25.7
220.12492	8.4
221.13214	19.7
231.11659	44.2
233.13260	5.2
235.14906	4.8
237.12753	6.5
246.14046	77.2
249.16464	6.4
251.17897	11.8
259.14938	6.1
261.16345	100.0
279.17429	44.3
281.15433	6.3
297.18372	7.7
300.71854	4.9
339.19604	8.5
381.49261	4.9
649.27667	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	649.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00444	2.8
53.03950	6.1
55.01868	2.9
55.05506	22.6
55.71402	3.0
56.78754	2.8
57.03441	6.9
58.54897	2.9
65.03856	3.0
67.05505	68.2
69.03415	23.3
69.07057	14.3
71.24178	3.1
79.05490	100.0
80.42308	3.0
81.03426	35.4
81.07063	64.0
83.04983	19.3
83.08637	4.5
85.02898	16.4
89.46381	3.5
91.05474	68.5
93.07041	94.3
95.04967	36.0
95.08600	38.0
97.02897	18.1
97.06531	14.2
97.10181	4.5
99.08051	3.5
100.87703	3.6
105.04475	4.6
105.07026	66.2
107.04932	15.2
107.08591	30.4
109.02867	5.2
109.06489	7.1
109.10161	5.8
117.07018	17.6
119.08558	35.1
121.06483	6.0
121.10112	7.2
123.08031	6.4
128.06229	4.7
129.06985	37.3
131.08545	23.8
133.06496	6.6
133.10139	20.1
141.06932	3.3
143.08525	25.6
145.06470	16.0
145.10118	20.2
147.08076	6.0
147.11685	55.4
155.08563	4.9
157.06493	5.7
157.10117	7.2
159.08104	5.6
161.09599	7.5
161.13211	16.2
167.08585	4.3
169.10046	5.3
171.08061	4.4
171.11707	40.5
173.04422	4.8
184.77237	3.6
189.12770	23.1
207.13814	23.6
264.65042	3.4
269.15350	8.3
281.17462	61.6
287.16397	7.5
361.20044	4.3
381.76147	3.5
425.21695	4.4
453.80899	3.8
487.30536	82.2
539.33099	5.3
549.31421	4.5
567.32941	35.1
613.33453	4.8
627.62341	3.5
631.34802	31.8
649.35846	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01871	3.7
55.05506	17.3
57.03448	7.4
58.57743	3.4
61.55645	3.9
61.86080	3.5
67.05508	64.4
69.03425	24.5
69.07063	9.0
77.94118	4.1
79.05502	100.0
81.03415	33.0
81.07053	50.2
83.04991	15.9
85.02921	9.4
85.06522	6.1
91.05485	63.7
92.18492	11.5
93.07051	80.7
95.04964	39.2
95.08608	38.6
97.02872	5.0
105.07034	68.1
107.04961	18.5
107.08595	26.8
109.10198	5.6
117.07018	24.5
119.08572	42.3
121.06494	5.7
121.10154	5.0
123.08102	9.8
127.03932	8.5
129.07025	33.2
131.03616	4.7
131.08589	22.4
133.06477	6.0
133.10144	17.4
135.08025	6.2
143.08591	31.5
144.16322	4.1
145.06519	6.7
145.10170	31.5
147.11690	48.7
151.95634	4.2
155.08537	5.3
157.10121	5.0
159.11699	9.0
161.09749	5.4
161.13249	19.6
163.11191	6.6
169.06723	4.6
171.08127	7.9
171.11613	37.0
189.12750	9.5
207.13858	24.8
220.12315	4.8
241.15869	7.7
251.14163	5.0
269.15256	7.3
281.17474	66.2
287.16330	16.5
309.95609	4.5
390.59402	4.9
425.21912	6.1
469.29727	4.8
487.30582	59.4
527.12500	4.8
549.32349	6.8
567.33197	10.4
595.32043	5.3
631.34747	27.8
649.26404	5.4
649.36298	19.2
675.11707	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	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07654	9.8
55.93655	12.1
65.89354	9.5
81.07030	14.0
95.08595	22.0
105.07040	10.6
109.10107	17.1
147.08092	15.2
160.08852	64.7
163.07533	17.3
209.05072	10.3
270.31903	12.9
284.21320	15.3
308.41476	12.9
341.17471	25.1
351.64560	12.2
423.21753	15.0
613.38678	57.6
631.40930	22.7
649.30334	14.7
649.39972	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	650.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	1.0
58.13356	0.6
62.56943	0.7
62.57275	0.6
67.05495	0.8
69.07045	0.6
72.04513	0.9
75.37564	0.8
91.05477	51.9
95.08597	1.8
103.05464	0.9
105.07037	4.1
107.08572	1.8
107.29268	0.7
109.10151	1.0
119.04939	27.4
119.08568	4.0
121.06499	0.8
121.10153	1.1
131.08560	3.4
133.06502	0.9
133.10101	4.0
134.09650	38.1
143.08669	1.0
145.10071	1.3
147.04401	27.4
155.08585	1.8
157.10179	1.2
159.08035	1.6
165.06961	1.1
167.08621	1.9
169.10103	1.3
171.11687	1.1
173.09592	0.9
179.08588	1.1
180.09424	0.7
180.47459	0.9
181.10135	3.3
183.11612	1.1
187.11259	0.8
189.05469	0.8
192.09210	0.9
193.10178	3.5
195.11716	6.5
197.13295	1.1
204.09430	0.8
205.10159	1.7
206.10934	4.1
207.11716	6.4
208.09706	0.8
208.12332	1.2
209.09612	0.8
209.13206	6.0
210.11234	39.1
217.10095	1.8
218.10820	1.7
219.11687	7.8
220.12456	6.5
221.13278	4.2
222.13876	2.5
223.11247	2.8
231.11684	13.9
232.12442	2.6
233.13216	4.0
234.14023	4.3
235.14899	3.2
237.12802	1.7
237.16371	1.0
245.13266	1.4
246.14027	17.9
249.16348	1.8
250.13461	1.0
251.17940	4.7
252.12328	9.3
261.16388	21.6
263.17969	4.7
269.47256	0.8
279.17398	8.3
321.18524	3.2
325.43002	0.8
339.19473	1.4
387.90466	0.8
530.28900	3.4
590.31165	3.7
609.23688	1.0
650.33154	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	650.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41299	0.3
55.05501	0.4
67.05509	0.7
69.03449	0.5
69.07038	0.6
69.82575	0.4
72.04507	0.9
79.05486	3.4
81.07059	0.7
83.04992	0.8
91.05471	6.1
92.18400	0.6
93.07036	2.0
95.04965	2.2
95.08611	1.8
97.06526	0.9
103.05479	2.2
103.81400	0.4
105.07037	5.5
107.04954	25.9
107.08592	5.2
109.06500	0.9
109.10162	0.8
111.04442	0.5
117.07000	2.9
118.61664	0.4
119.04935	9.3
119.08583	7.3
121.06518	1.6
121.10149	2.5
123.08041	0.7
124.17515	0.5
128.06192	0.5
129.07008	1.0
131.04932	9.9
131.08571	3.8
133.06541	1.4
133.10126	3.4
134.09651	100.0
135.08032	8.2
137.09654	1.7
141.07040	0.4
142.07770	0.7
143.08566	3.7
145.06461	0.8
145.10117	2.6
147.04413	14.1
147.08060	2.1
148.11270	0.5
149.05960	4.1
149.09627	2.3
151.07518	0.6
151.11232	0.7
155.08577	0.8
156.09326	0.9
157.10139	3.3
159.08080	2.7
159.11659	2.0
161.06017	0.6
161.09618	1.8
163.07533	3.2
165.05566	0.6
165.06953	0.5
167.08574	0.7
169.10101	2.6
171.08061	0.9
171.11658	3.1
173.09601	1.6
173.13319	0.5
175.07561	0.7
175.11121	0.7
177.09105	1.5
179.08591	0.8
181.08649	1.3
181.10121	2.5
182.10893	0.5
183.11716	2.7
185.09676	0.5
187.11186	2.5
189.09120	0.5
189.12598	0.6
191.08536	0.5
193.10150	3.1
194.11809	20.8
195.11644	3.7
196.12483	0.4
197.09625	0.9
197.13174	1.3
199.11150	1.6
205.10207	0.7
206.10902	0.7
207.11710	4.8
208.12495	0.5
209.09682	0.5
209.13258	3.2
211.11159	1.0
211.14862	0.7
213.12811	1.5
215.10681	0.4
217.12335	0.5
219.11687	2.2
220.12497	1.6
221.09685	0.4
221.13327	2.5
223.11235	1.7
223.14798	0.8
225.12756	2.0
231.11769	1.4
234.14061	2.4
235.11240	0.6
235.14774	0.7
237.12840	0.6
239.17815	0.6
246.14026	0.8
247.11244	0.8
249.16386	3.2
251.14291	0.5
251.17955	0.6
252.12308	7.1
261.16333	0.7
262.13657	1.7
267.17416	2.8
277.15921	3.4
279.17590	0.8
285.18390	0.5
295.16962	6.3
297.18494	1.0
313.18024	1.8
337.17972	1.6
339.19467	0.5
355.19064	0.9
397.20206	0.9
457.21930	0.8
517.34564	0.4
590.31219	8.8
608.32275	0.5
650.33221	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89447	0.8
52.29936	0.7
55.66747	0.7
57.22144	0.8
57.42700	0.8
58.90980	0.8
58.98249	0.8
65.03945	1.3
65.07240	0.7
71.01643	0.7
72.04528	0.8
73.10408	0.8
73.11312	0.9
77.46507	0.9
79.05484	1.2
79.80830	0.8
79.81293	0.9
91.05477	62.2
93.07027	1.2
93.58291	0.9
94.85893	0.8
95.08589	1.1
96.60513	0.8
103.05437	1.0
105.07050	4.5
107.08599	1.9
119.04937	33.9
119.08573	3.6
121.06523	1.2
121.10165	1.7
129.06973	1.2
131.08543	4.6
131.09477	1.0
132.52571	0.8
133.10100	5.2
134.09656	40.4
143.08514	1.7
145.10136	1.9
147.04401	32.6
147.08134	1.1
155.08545	1.0
159.08020	1.1
159.11711	1.1
163.87697	0.9
164.10641	1.3
165.05452	1.3
166.07761	0.9
167.08588	1.4
169.10077	1.9
179.08537	3.4
180.09378	0.9
181.10158	4.4
192.09349	1.0
193.10152	4.7
194.10875	1.4
195.11707	7.7
196.12473	0.9
197.13144	1.7
204.09384	1.0
205.10170	3.4
206.10976	5.3
207.11751	5.4
208.09732	1.8
208.12454	1.3
209.09521	1.0
209.13283	7.9
210.11243	42.7
210.13196	1.6
211.11154	1.1
211.14854	1.7
217.10188	1.2
218.10875	1.5
219.11674	11.0
220.12479	5.5
221.13268	6.3
222.10548	1.3
222.14066	1.4
223.11145	2.0
223.14928	0.9
231.11681	15.5
232.12453	1.4
232.76227	0.9
233.13228	5.8
234.14058	4.0
235.14871	4.8
236.11856	0.9
236.15643	1.3
237.12753	4.6
237.16364	1.8
245.13225	1.0
246.14020	26.2
247.14799	1.0
249.16463	1.7
251.14133	1.2
251.17982	6.5
252.12312	18.1
261.16360	29.3
263.17947	4.6
263.31052	1.0
264.15143	1.8
277.16022	1.5
279.17441	10.1
281.19095	1.2
297.18442	1.0
321.18289	1.5
324.09955	0.9
339.19553	1.7
530.28961	3.6
590.30951	1.8
609.23572	1.5
650.33197	100.0
666.00842	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	650.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89447	0.8
52.29936	0.7
55.66747	0.7
57.22144	0.8
57.42700	0.8
58.90980	0.8
58.98249	0.8
65.03945	1.3
65.07240	0.7
71.01643	0.7
72.04528	0.8
73.10408	0.8
73.11312	0.9
77.46507	0.9
79.05484	1.2
79.80830	0.8
79.81293	0.9
91.05477	62.2
93.07027	1.2
93.58291	0.9
94.85893	0.8
95.08589	1.1
96.60513	0.8
103.05437	1.0
105.07050	4.5
107.08599	1.9
119.04937	33.9
119.08573	3.6
121.06523	1.2
121.10165	1.7
129.06973	1.2
131.08543	4.6
131.09477	1.0
132.52571	0.8
133.10100	5.2
134.09656	40.4
143.08514	1.7
145.10136	1.9
147.04401	32.6
147.08134	1.1
155.08545	1.0
159.08020	1.1
159.11711	1.1
163.87697	0.9
164.10641	1.3
165.05452	1.3
166.07761	0.9
167.08588	1.4
169.10077	1.9
179.08537	3.4
180.09378	0.9
181.10158	4.4
192.09349	1.0
193.10152	4.7
194.10875	1.4
195.11707	7.7
196.12473	0.9
197.13144	1.7
204.09384	1.0
205.10170	3.4
206.10976	5.3
207.11751	5.4
208.09732	1.8
208.12454	1.3
209.09521	1.0
209.13283	7.9
210.11243	42.7
210.13196	1.6
211.11154	1.1
211.14854	1.7
217.10188	1.2
218.10875	1.5
219.11674	11.0
220.12479	5.5
221.13268	6.3
222.10548	1.3
222.14066	1.4
223.11145	2.0
223.14928	0.9
231.11681	15.5
232.12453	1.4
232.76227	0.9
233.13228	5.8
234.14058	4.0
235.14871	4.8
236.11856	0.9
236.15643	1.3
237.12753	4.6
237.16364	1.8
245.13225	1.0
246.14020	26.2
247.14799	1.0
249.16463	1.7
251.14133	1.2
251.17982	6.5
252.12312	18.1
261.16360	29.3
263.17947	4.6
263.31052	1.0
264.15143	1.8
277.16022	1.5
279.17441	10.1
281.19095	1.2
297.18442	1.0
321.18289	1.5
324.09955	0.9
339.19553	1.7
530.28961	3.6
590.30951	1.8
609.23572	1.5
650.33197	100.0
666.00842	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	651.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38116	1.5
78.25517	1.5
88.96780	1.3
108.22392	1.6
125.02319	9.7
139.03900	21.9
141.05460	13.4
143.03397	1.6
151.03935	3.3
153.01819	89.2
153.05458	69.9
153.06702	2.6
163.03899	6.9
177.01828	22.5
177.05583	1.5
179.03381	44.3
195.02893	7.7
200.87149	1.4
203.03285	1.8
205.04955	32.8
207.02852	6.3
210.08702	1.6
217.05064	2.4
219.06502	2.1
223.02359	15.4
229.04951	1.7
247.06091	2.4
257.04443	3.5
259.06116	2.7
271.06140	16.2
272.06686	2.8
273.07541	3.0
275.05524	12.4
277.07022	2.6
285.04175	2.5
285.07581	18.1
287.05350	1.9
301.07028	7.5
303.04990	100.0
303.08636	72.5
309.84787	1.6
321.09671	6.3
328.38754	1.7
329.06589	3.4
331.04437	95.4
331.08173	41.3
333.06296	2.6
339.05002	2.9
363.08780	1.7
439.10410	2.7
453.11749	1.9
465.07834	2.0
481.11130	1.9
483.09213	13.0
605.12909	5.9
633.12134	8.5
651.13324	7.8
651.25110	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	651.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17271	0.4
73.65460	0.5
113.79484	0.4
125.79411	0.5
138.09097	0.7
144.60336	0.5
150.05478	0.6
160.07899	0.5
160.47954	0.5
164.07050	0.4
170.77527	0.5
178.04852	0.7
235.10672	1.9
258.13541	1.0
259.14386	36.0
275.13788	0.6
285.12341	2.5
314.64343	0.4
380.19730	9.9
382.21204	100.0
406.17532	1.1
408.19080	2.4
425.19431	4.6
426.20193	37.9
442.62729	0.5
452.18167	0.7
456.21204	14.3
498.18674	0.6
621.25305	1.9
633.25323	0.6
651.26569	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43509	0.6
55.74247	0.5
57.71814	0.7
74.20834	0.6
97.98062	0.7
138.09132	1.2
140.27087	0.9
178.05011	0.9
235.10727	1.1
258.13647	3.0
259.14401	42.6
260.92786	0.8
285.12350	3.4
342.67831	0.9
380.19672	10.1
382.21234	100.0
408.19443	1.5
425.19525	3.6
426.20251	42.2
452.17975	0.9
456.21283	11.9
482.19016	0.9
621.25824	4.6
633.25964	1.2
642.58978	0.7
651.26593	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77168	1.1
53.03949	2.1
58.16671	1.1
67.05488	1.6
69.03423	1.7
69.07057	1.2
75.38312	1.1
75.52026	1.2
77.03901	2.2
79.05480	2.4
81.07038	1.9
91.05476	4.8
93.07033	7.9
95.04978	10.2
95.08605	2.2
105.03391	100.0
105.04502	5.1
105.07042	11.4
107.08590	5.3
109.06488	2.3
119.08566	5.5
121.06499	7.5
123.08037	2.2
129.07048	2.4
131.08572	2.6
133.06488	8.0
133.10097	5.7
135.04399	2.7
135.08046	2.3
135.11664	1.1
137.09618	1.4
143.08566	6.5
144.63063	1.1
144.93629	1.2
145.06429	2.0
145.10126	11.6
147.07993	4.5
149.06018	2.0
149.09576	1.7
151.07539	1.3
153.07060	1.5
155.08560	8.3
157.10097	5.1
159.08058	2.7
161.09641	2.9
163.11172	2.9
165.07091	2.1
165.08766	1.0
166.07771	2.9
167.08466	1.6
169.10098	8.2
169.72795	1.3
171.08031	2.7
171.11668	5.9
171.35402	1.3
173.09633	6.9
175.07587	1.4
179.08588	2.4
180.09341	2.5
181.10071	13.0
182.10872	5.2
183.08037	2.3
183.11665	11.0
185.09622	5.0
187.11174	1.7
189.09215	1.5
191.10757	1.8
192.09244	10.1
193.10074	6.6
194.10808	1.8
195.07996	4.7
195.11699	10.3
197.09628	2.8
197.13231	12.0
199.11205	7.8
206.10979	1.9
207.11664	14.2
209.09608	12.1
209.13263	6.0
210.10324	5.6
211.11172	10.1
211.14722	1.3
213.12778	2.9
217.12337	1.2
220.08835	2.8
221.13136	3.8
223.11162	6.4
223.14763	4.6
225.12741	17.1
227.10654	6.6
232.12534	1.6
233.13220	1.8
235.09061	1.3
235.11179	8.1
237.16325	1.9
239.10539	1.3
239.14339	2.3
241.12006	1.5
241.15993	1.7
243.13623	1.4
247.14838	1.9
249.12791	1.4
251.14218	4.6
253.12167	25.8
260.11780	1.3
265.15829	6.0
267.13669	4.6
269.11691	2.3
271.13275	11.2
275.14246	2.3
283.16901	2.6
285.14783	1.3
293.15350	6.7
311.16483	15.5
313.14383	3.0
328.88373	1.4
329.17368	14.2
331.15512	1.6
371.18802	1.6
375.15894	12.2
389.19614	1.4
451.20935	1.3
469.21988	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	651.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16720	3.1
54.12287	3.7
68.79635	3.3
76.05798	3.6
81.54762	3.7
86.45333	3.9
92.17908	4.2
93.07002	5.0
95.04955	6.8
105.03394	100.0
105.07065	16.6
119.08594	4.9
121.06498	5.4
131.08540	7.3
133.06520	8.1
133.10130	8.5
143.08554	6.2
145.10153	7.4
155.08572	17.6
165.07027	7.3
167.08629	4.8
168.09201	4.2
169.10036	6.5
171.07938	6.2
171.11711	5.1
173.09615	4.0
180.09393	4.0
181.10141	8.5
183.11731	5.7
185.09621	5.5
192.09351	30.4
193.10175	4.2
195.11722	18.5
197.13332	16.3
198.85126	3.6
199.11104	4.7
207.11739	31.0
208.12489	4.1
209.09657	14.0
209.13310	5.3
210.10339	3.9
211.11226	7.8
220.08804	15.2
222.13919	4.3
223.11287	9.2
225.12802	9.2
232.12415	4.5
235.11203	23.7
253.12160	21.5
260.11981	6.2
265.15863	17.0
275.14288	6.5
283.16882	19.5
293.15427	21.5
311.16632	33.7
329.17490	9.0
369.69342	4.2
385.38065	4.2
405.77258	3.3
433.20258	5.2
516.36255	4.3
582.67334	4.1
610.15399	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	651.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.5
63.86886	1.8
81.07056	2.1
91.05495	2.8
93.07042	4.4
95.04964	7.7
95.08595	3.4
105.03390	100.0
105.04470	3.4
105.07017	10.2
107.08518	2.2
109.06480	4.6
118.49125	2.0
119.08559	9.2
121.06503	3.4
121.10102	4.1
123.08026	2.4
127.90805	2.3
131.08580	4.1
133.06487	4.7
133.10185	2.4
143.08540	8.4
145.06401	2.5
145.10187	6.9
155.08524	16.2
156.09367	2.9
157.10127	4.2
159.08093	2.4
161.09514	2.6
167.08514	2.8
169.10127	9.6
171.11678	2.4
173.09589	3.1
179.08522	8.1
181.10091	12.9
182.10919	2.3
183.08063	2.9
183.11644	9.1
185.09567	3.4
192.09297	7.5
193.10138	3.1
195.08107	3.0
195.11719	13.3
197.09596	4.8
197.13156	14.0
199.11191	10.0
207.11676	12.0
209.09514	15.0
210.10284	2.4
210.53461	1.9
211.11179	8.8
213.09329	2.1
219.11798	2.3
221.13167	3.1
223.11226	7.9
223.14696	3.0
225.09193	3.4
225.12747	19.3
232.12492	2.7
235.11237	11.4
236.11961	2.5
237.16344	4.8
239.14256	3.0
247.14786	4.2
250.13458	2.9
251.14354	4.9
253.12178	24.0
265.15878	14.4
269.11758	2.1
271.13202	14.3
275.14310	2.7
283.16922	9.2
293.15326	15.1
311.16412	22.8
329.17535	8.1
331.15442	3.5
371.17831	2.1
433.19675	4.3
663.54712	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	651.2954
Annotation	Chondramide D
Peak:m/z	Relative Intensity
51.87658	0.9
64.61700	0.9
77.72453	1.1
83.04966	1.7
93.07098	1.1
123.29478	1.0
133.08456	1.0
135.08044	1.3
165.09074	1.9
193.08621	1.4
209.06070	2.2
209.09634	2.3
213.05441	4.4
223.11182	6.3
225.09158	6.7
227.07062	1.8
235.07338	1.0
237.09111	1.3
239.14453	1.2
251.10709	6.7
251.14288	1.2
252.11607	1.2
253.08565	3.7
255.10225	4.5
262.09839	1.2
265.08560	1.1
265.15692	1.5
267.10437	1.4
267.13788	26.9
269.11768	6.1
269.15277	1.2
271.85724	1.1
280.07339	1.1
281.08054	1.0
282.08853	2.1
283.17020	3.6
295.13281	74.3
296.10489	13.4
305.37479	1.1
307.13278	2.3
309.11176	8.1
311.16479	6.0
323.12851	17.1
324.13589	7.0
325.14310	18.8
606.40509	1.0
623.53101	1.0
651.29462	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	651.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08959	1.1
53.17026	1.2
93.07032	1.7
189.05510	1.7
211.11151	6.2
215.10692	10.6
227.10521	1.7
237.09161	2.7
239.10847	6.1
239.14307	3.1
255.10138	5.5
257.11768	3.3
265.08600	3.6
267.10217	2.5
267.13974	2.5
271.17154	1.7
281.08255	2.3
282.08969	7.2
282.12619	3.1
283.09763	9.0
286.37152	1.4
295.13345	8.9
299.16260	2.0
307.13464	2.8
325.14331	47.2
327.16028	1.7
584.27008	1.6
592.54187	1.6
609.23889	1.7
651.29572	100.0
651.39801	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	651.2964
Annotation	Chondramide D
Peak:m/z	Relative Intensity
72.09806	0.8
85.89424	0.7
103.05448	1.5
110.20430	0.8
128.74820	0.8
131.04930	12.4
143.47995	0.7
145.06490	1.1
147.07973	0.7
165.09084	1.3
193.10281	1.4
197.09680	1.6
205.08612	1.6
209.09735	0.9
211.11172	5.7
215.10690	11.9
221.09677	0.7
225.09137	1.1
229.12065	0.9
237.09097	3.0
239.10504	4.9
239.14328	1.6
240.07919	0.9
241.08534	1.6
241.12192	1.7
243.10156	1.1
253.15776	0.9
254.09262	1.0
255.10213	3.7
257.11826	7.0
257.15292	3.6
263.14508	1.5
265.08722	1.6
267.10217	3.5
267.13797	5.8
271.16925	1.3
279.13651	1.3
280.07330	1.1
281.08405	0.9
281.11835	1.6
281.15204	2.9
282.08936	5.5
282.12180	2.5
283.09763	5.1
283.13156	2.2
285.11395	0.9
285.14642	0.8
293.11685	0.9
295.13266	14.8
296.10397	1.5
307.13144	1.7
309.14944	1.3
311.12732	4.5
323.12885	3.3
325.14325	32.8
325.17972	1.4
327.15961	3.1
651.29498	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	652.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48118	4.0
61.48568	5.2
74.20278	4.4
79.05478	7.8
83.04972	5.2
91.05453	5.4
95.04960	6.5
95.08570	6.3
105.03387	7.4
107.04950	31.6
107.08604	6.9
109.02908	36.3
111.23698	4.2
119.08575	9.8
121.06470	7.3
121.10154	7.7
121.77390	5.3
131.08498	5.2
133.10133	20.8
134.09653	11.8
135.07997	10.0
145.06444	7.8
145.10097	5.2
147.08066	9.8
149.06003	6.5
149.09641	10.5
155.08632	6.0
155.76978	4.5
157.10088	21.3
159.11668	8.6
161.06020	7.2
163.07504	9.1
169.10114	11.4
171.11623	6.1
173.09532	6.3
181.10110	5.9
183.11591	9.8
187.07579	20.0
187.11150	22.6
194.11823	34.6
195.11690	8.9
197.09610	7.7
197.13229	6.3
201.12755	10.9
209.13272	9.6
211.11104	6.8
215.14259	7.2
223.11208	8.0
223.14912	8.0
229.12207	5.2
232.12386	5.7
237.12727	5.5
237.16252	8.3
247.14890	8.0
250.13489	6.8
251.14226	5.4
253.12212	8.4
265.15857	25.2
269.15271	6.4
278.12985	5.0
283.16895	29.0
293.15338	81.3
306.64526	5.1
311.16415	78.2
329.17349	10.2
353.17526	100.0
371.18585	56.7
413.19516	41.1
473.21683	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74895	1.5
58.57666	1.4
59.39953	1.7
66.58637	1.7
74.06079	100.0
81.07068	2.0
91.05467	31.8
92.17868	4.4
93.42088	1.9
95.08575	3.0
105.07042	15.3
107.04984	2.0
117.53839	2.0
119.04942	23.7
119.08591	7.1
121.06512	2.8
121.10117	4.2
123.08082	3.5
132.08067	18.4
133.06487	4.0
133.10097	2.8
134.09683	3.1
135.08017	2.2
143.08632	2.6
147.04431	20.7
149.09581	3.1
150.09128	26.3
155.08545	2.8
157.10152	2.7
159.11737	3.7
169.10092	8.5
175.11006	2.2
178.07565	3.3
179.08556	3.9
181.10156	3.7
183.11748	4.7
191.08557	12.5
192.10208	32.7
193.10104	8.2
195.11655	8.3
203.08522	11.4
204.09334	55.5
207.11696	7.8
209.13271	3.4
219.09691	4.3
219.11674	97.0
220.09683	65.4
234.14006	4.1
237.12602	14.0
238.10727	25.9
252.12253	3.8
262.10822	2.4
267.17368	3.8
277.15909	2.7
280.11789	10.6
295.16882	11.8
297.14951	2.0
332.37354	2.0
355.19034	2.7
373.20087	4.2
544.91193	2.1
592.29028	3.6
634.30243	3.0
635.81250	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	652.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61013	1.3
61.32937	1.4
66.03404	1.8
67.05489	1.7
71.06654	1.5
71.23922	1.8
79.05489	7.5
80.69800	1.7
81.07037	1.5
91.05475	2.4
93.07013	1.6
95.08578	2.4
100.22016	1.6
105.06998	6.6
107.04951	76.2
107.08600	3.4
119.08575	8.6
121.10111	3.0
128.05321	1.7
131.08563	6.5
133.10153	2.1
134.09624	15.4
135.96394	1.6
143.08598	5.1
145.10046	2.9
149.05969	18.8
149.09586	2.0
157.10060	3.7
161.09648	1.9
169.10109	2.1
171.11661	1.9
181.10095	2.0
183.11656	2.6
188.53754	1.5
194.11763	100.0
195.11751	6.4
209.13380	2.8
236.12781	13.2
251.17982	2.1
253.16046	2.3
269.18961	2.3
271.16898	24.5
276.74973	1.6
278.22461	1.8
279.17334	3.4
286.12634	2.0
297.18451	6.1
357.20447	3.0
592.32855	2.4
652.34735	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	652.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02482	1.1
66.82471	1.0
79.05485	6.2
81.07007	1.0
91.05449	1.3
92.33636	1.1
92.60013	1.0
105.07036	1.6
107.04954	100.0
119.08530	1.4
121.68117	1.0
134.09647	5.6
143.08595	2.4
149.05969	16.0
155.08537	6.3
156.99037	1.1
167.46901	1.1
169.10115	8.9
178.48053	1.0
181.10107	1.3
183.11700	9.6
190.10178	1.2
194.11752	85.7
196.12408	1.3
199.11282	1.3
200.97891	1.2
206.10907	5.1
209.13263	1.7
211.14810	15.6
221.13219	5.8
236.12946	1.1
236.82938	1.3
239.14337	8.4
240.08476	1.2
250.22942	1.3
279.17270	1.5
297.18546	2.3
594.30560	61.5
652.34686	32.0
652.44751	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	652.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81181	1.5
59.67080	1.6
79.05498	6.5
81.07049	2.5
84.43561	1.8
93.07047	7.2
95.04948	2.1
95.08569	3.8
105.03394	13.2
105.07031	10.4
107.04951	100.0
109.10153	2.4
117.07045	2.5
119.08554	7.3
119.50031	1.8
121.10108	2.2
125.98479	2.1
126.59614	1.9
131.08572	4.3
133.10146	2.4
134.09663	28.6
143.08542	3.8
145.10153	4.0
149.05980	23.2
155.08525	3.6
157.10155	8.4
161.09575	12.3
169.10085	3.6
179.08481	3.0
181.10107	3.5
192.10185	3.2
193.10152	2.7
194.11760	72.9
195.11682	8.4
199.11221	1.7
206.10831	2.8
207.11682	2.2
209.13219	3.2
211.14853	7.2
221.13251	6.8
223.14807	2.7
235.14786	6.6
239.14278	7.6
251.18013	1.9
253.15837	13.9
279.17465	1.8
303.75888	2.1
313.17993	3.4
373.20148	12.2
433.59756	2.0
474.26474	23.6
506.29108	12.9
532.30585	10.2
534.28479	4.4
550.31635	3.7
592.32703	78.6
652.24524	3.8
652.34448	33.9
676.40271	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	652.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10998	0.9
57.52971	0.8
69.07084	1.1
73.74707	1.0
79.05477	4.7
81.03426	1.5
83.08614	1.2
91.05464	1.1
97.06509	1.0
100.40739	0.9
105.07018	3.8
107.04955	51.9
107.05687	1.7
111.08093	1.2
119.08568	7.7
131.08553	2.0
133.10136	4.7
134.09679	8.6
135.08028	1.7
137.09735	1.1
143.08542	2.4
145.10106	1.7
149.05988	12.8
149.09555	1.9
154.84837	1.0
157.10150	5.5
159.07968	1.7
159.11696	1.3
161.09619	0.9
167.08577	1.5
169.10123	2.4
171.11679	4.2
173.09593	2.1
175.11256	1.3
181.10095	1.2
185.09778	1.3
187.11215	1.3
190.39551	1.1
194.11775	32.6
195.11708	4.4
197.13202	1.6
199.11160	1.8
209.13304	1.9
211.14932	1.3
213.12781	2.4
223.11226	1.5
227.14305	1.7
237.12822	2.0
237.16379	2.4
251.17973	4.3
255.17496	1.1
269.18997	2.1
279.17499	5.6
297.18506	9.1
343.11478	1.1
383.75842	1.1
489.37161	1.0
652.34753	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	652.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21853	0.8
67.31001	0.8
69.07085	1.2
73.34007	1.0
79.05493	4.6
81.03387	1.1
90.88939	0.9
91.15785	0.8
95.08605	1.3
97.06542	1.4
105.07021	3.4
107.04955	52.0
107.08584	1.2
109.10217	1.5
119.08572	5.5
121.10123	0.9
131.04942	0.9
133.10155	2.2
134.09639	7.5
137.09587	1.5
143.08481	1.3
145.10115	1.4
147.08018	1.3
149.05986	10.5
149.09618	1.9
155.08636	1.0
157.10172	3.8
161.09599	3.6
169.10158	5.0
171.08092	1.7
171.11697	4.5
173.09709	1.3
183.11678	1.0
185.09631	2.0
187.11102	1.2
194.11775	33.4
195.11723	6.4
199.11246	1.7
209.13309	5.7
211.11197	2.0
211.15036	1.4
213.12822	1.1
223.11232	1.4
225.16283	1.2
227.14305	1.7
237.12729	1.4
239.14134	1.0
246.14029	1.5
251.17966	4.0
255.17412	1.4
269.19003	3.7
279.17480	5.4
297.18454	10.2
315.19702	1.1
357.20673	1.8
652.34766	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	652.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72873	0.8
64.03033	1.1
71.40108	1.2
79.05484	6.8
91.05515	1.4
105.07037	1.6
107.04949	95.1
119.08542	2.0
134.09615	8.2
145.10114	1.2
149.05984	19.8
194.11755	100.0
221.13185	1.2
299.01547	1.2
329.58871	1.3
361.29865	1.2
634.51337	1.2
652.34717	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3479
Annotation	Scutianine F
Peak:m/z	Relative Intensity
59.05620	1.2
60.90956	1.1
79.05496	6.4
80.55046	1.1
97.61257	1.0
107.04955	84.2
128.06348	1.3
134.09630	5.7
149.05966	18.2
194.11771	100.0
217.59721	1.1
297.25119	1.1
439.51276	1.6
652.34772	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99777	0.8
79.05495	5.6
101.61086	0.8
105.07050	1.1
107.04954	97.0
134.09676	8.7
149.05980	19.5
179.18547	0.9
183.09550	0.9
194.11757	100.0
236.12842	1.7
243.70184	0.8
279.17548	0.9
306.53281	0.9
328.94986	1.0
371.70355	0.9
387.13846	0.9
513.90436	0.9
652.34784	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02482	1.1
66.82471	1.0
79.05485	6.2
81.07007	1.0
91.05449	1.3
92.33636	1.1
92.60013	1.0
105.07036	1.6
107.04954	100.0
119.08530	1.4
121.68117	1.0
134.09647	5.6
143.08595	2.4
149.05969	16.0
155.08537	6.3
156.99037	1.1
167.46901	1.1
169.10115	8.9
178.48053	1.0
181.10107	1.3
183.11700	9.6
190.10178	1.2
194.11752	85.7
196.12408	1.3
199.11282	1.3
200.97891	1.2
206.10907	5.1
209.13263	1.7
211.14810	15.6
221.13219	5.8
236.12946	1.1
236.82938	1.3
239.14337	8.4
240.08476	1.2
250.22942	1.3
279.17270	1.5
297.18546	2.3
594.30560	61.5
652.34686	32.0
652.44751	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	652.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56333	0.7
63.07622	0.8
72.04529	1.1
79.05495	6.0
82.26323	0.8
105.07005	1.1
107.04958	83.3
134.09656	7.6
149.05975	17.9
159.35667	1.1
194.11766	100.0
236.12981	1.2
361.58987	1.0
504.86346	1.0
652.34766	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.88765	0.9
74.53639	0.9
79.05497	7.9
79.08065	0.9
82.40429	0.8
92.18007	0.9
105.07023	1.6
107.04951	100.0
119.08571	2.0
134.09673	13.3
135.08052	1.0
135.09981	3.7
149.05975	17.7
156.50046	0.9
171.11661	0.9
173.09473	0.9
194.11757	96.1
195.11751	1.3
199.11159	1.0
236.12822	1.5
255.40404	0.9
274.40604	0.8
315.43942	1.0
329.75113	0.9
439.26071	0.9
440.81302	1.0
652.34711	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36220	0.8
54.92020	0.9
60.14786	0.8
64.91458	1.0
66.02779	0.8
79.05483	6.6
91.05475	1.1
94.72911	0.9
95.08592	1.3
102.32058	1.0
105.07024	1.7
107.04951	94.0
109.02877	1.2
111.17837	1.0
119.08556	2.3
123.60197	1.0
127.03875	1.1
134.09642	14.7
135.09972	4.8
137.09657	6.6
149.05962	19.6
155.10612	0.9
165.09177	1.3
194.11765	100.0
195.11948	1.3
222.13847	0.9
236.12819	1.6
248.86679	0.9
264.73761	1.1
309.13345	3.7
448.86252	1.1
470.28079	1.0
528.00793	1.1
641.98999	1.0
652.34668	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.348
Annotation	Scutianine F
Peak:m/z	Relative Intensity
55.11045	0.5
57.87673	0.5
67.53276	0.6
69.07072	0.7
75.84766	0.6
79.05501	4.7
81.02963	0.6
81.03400	1.6
85.06557	0.6
91.27081	0.6
95.08537	0.8
97.06558	0.9
104.63972	0.7
105.07066	4.5
107.04951	52.2
107.08574	1.5
109.10155	1.2
111.08067	0.9
117.06917	0.9
119.08579	6.2
120.71295	0.6
121.10113	1.1
123.08051	1.3
131.04933	1.0
133.10136	3.2
134.09669	6.5
135.08049	1.0
136.91542	0.7
137.09615	1.5
143.08496	2.1
145.10123	2.8
147.08099	1.0
149.06006	8.8
149.09698	1.1
155.08572	1.6
157.10155	5.4
159.08067	2.5
159.11681	1.2
160.37378	0.7
161.09650	2.5
169.10176	1.2
171.08092	0.8
171.11656	4.9
173.09601	1.6
175.11151	0.6
179.08585	0.7
181.10188	3.3
183.11676	1.5
185.09596	1.3
187.11165	1.5
194.11769	38.9
195.11674	5.5
197.13304	0.8
199.11174	0.8
199.31776	0.6
201.12831	0.7
207.11667	1.4
209.09625	0.7
209.13283	3.7
211.11273	1.1
211.14842	0.8
213.12758	3.0
221.13242	1.0
222.14064	1.0
223.11313	2.6
223.14806	1.4
225.12671	0.8
225.16447	0.6
227.14354	1.3
237.12793	1.1
237.16273	1.9
239.14496	1.0
251.17961	3.0
253.15994	1.3
255.17517	1.3
264.08255	0.8
269.19095	3.2
279.17392	5.2
285.29700	0.8
297.18445	8.0
356.53125	0.6
357.20377	1.0
381.29214	0.8
441.52420	0.8
652.34790	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	652.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85194	0.9
62.52628	0.8
79.05495	6.0
92.40189	1.0
105.07018	1.1
107.04954	100.0
119.08578	2.3
122.05116	1.1
127.46410	1.0
133.10172	3.6
134.09645	10.2
135.08058	1.5
137.09637	1.2
143.08557	1.6
145.10126	2.4
149.05969	24.8
155.08636	1.4
157.10161	1.8
169.10094	2.2
171.11690	1.9
181.10175	1.3
185.09645	1.2
191.78879	1.1
194.11757	93.9
195.11816	3.9
197.13203	1.2
199.11340	1.2
207.11813	1.2
209.13229	2.4
223.11137	1.4
227.14235	1.2
237.12802	1.1
237.16359	2.0
243.05751	1.0
251.17990	2.0
279.17496	4.7
297.18484	4.2
329.86673	1.1
486.37122	1.1
534.67474	1.0
592.32703	1.7
652.34772	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60669	0.3
54.09624	0.3
57.65565	0.3
91.73415	0.3
118.06525	2.6
122.61609	0.4
124.13480	0.4
132.08096	2.3
142.25392	0.4
144.08073	5.7
144.66745	0.4
146.06003	36.4
159.09180	5.1
159.23312	0.4
170.05942	1.9
188.07057	100.0
201.53722	0.4
205.09723	36.5
208.66919	0.4
252.63875	0.4
258.28445	0.3
290.25955	0.4
457.97424	0.4
473.26477	0.4
666.77545	0.4
682.64807	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	653.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48545	0.5
66.51945	0.5
73.14568	0.5
131.05006	0.5
143.04893	0.6
144.62993	0.6
148.05725	0.5
149.05965	0.8
165.09132	2.2
181.16881	0.5
183.08044	0.6
191.10701	0.8
195.11545	1.2
196.63741	0.7
199.07576	0.7
201.09004	0.5
209.09686	3.3
215.10718	2.1
223.11153	5.3
225.05536	0.8
227.10674	3.4
229.08559	0.6
231.10220	0.7
237.09146	2.9
240.07687	0.7
241.12219	41.2
242.13033	2.1
243.13936	0.6
251.10672	1.0
251.14381	0.9
255.10170	3.4
265.08630	3.6
265.16013	1.1
267.06522	0.6
267.10196	2.2
267.13766	1.0
269.11624	2.2
269.14923	0.6
279.13788	1.1
282.08936	8.2
282.12524	3.1
283.09647	6.7
283.16937	3.2
284.10593	0.6
285.14810	0.8
295.13300	5.5
296.10535	0.7
297.14966	0.9
307.13419	2.1
310.12012	1.1
311.16403	2.0
323.12753	0.8
325.14343	51.6
445.20108	0.8
552.13867	0.5
653.31079	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	653.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37686	1.6
62.93298	2.0
63.91385	1.6
73.08587	1.8
81.20695	2.0
83.05014	1.9
124.92949	1.7
135.08040	2.6
149.92670	1.7
209.05946	2.8
209.09695	6.8
213.05531	3.5
223.11192	8.1
223.14890	7.6
226.06010	2.1
227.07077	3.1
237.09151	3.3
239.10732	4.1
249.08887	1.8
251.10585	12.9
251.14365	6.9
254.12997	7.4
255.10178	3.2
255.13829	10.4
261.12613	3.3
263.14355	2.1
264.11456	10.6
264.15088	2.4
265.08670	2.6
265.15881	2.9
267.06845	1.8
267.10153	2.8
267.13058	1.7
269.11615	8.7
279.13770	100.0
282.08807	7.1
282.12268	2.0
283.09613	8.3
283.12994	1.9
283.16876	3.2
297.14838	25.7
307.13196	18.9
310.11890	2.0
311.16382	3.9
325.14331	100.0
537.58447	2.1
580.60767	2.0
635.30005	76.3
653.30988	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	653.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
55.73791	1.0
60.04518	2.5
63.06239	0.9
68.05033	6.1
68.46378	1.0
70.06575	1.7
71.16904	1.0
72.08155	44.8
86.09708	11.4
87.05570	1.0
88.07610	7.4
89.07173	8.3
109.66259	1.1
120.08080	4.2
139.04492	1.1
139.12305	2.1
156.90744	1.1
167.11784	88.9
185.16508	11.9
195.11290	100.0
213.15987	4.9
266.18677	1.6
267.17554	1.1
282.71448	1.2
294.18158	25.8
294.21274	2.3
327.19763	1.4
360.23029	1.4
379.27161	1.4
407.26492	16.9
452.90225	1.1
478.33786	4.7
506.33319	35.8
580.40973	1.1
612.71503	1.2
625.40393	4.5
637.88965	1.1
653.40424	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	654.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
57.74450	0.9
69.07050	0.8
72.04510	1.6
79.05479	8.8
81.07043	1.6
91.05461	5.2
92.17825	1.0
95.04945	5.6
105.03387	45.7
105.04469	1.6
105.07021	2.0
107.04947	95.6
107.08558	0.9
119.08551	1.3
129.06967	1.8
131.04892	3.6
131.08565	1.5
133.10095	1.2
134.09642	100.0
135.08116	1.0
137.09644	1.1
140.39760	0.9
143.08530	4.1
149.05956	13.3
153.06891	1.8
154.20175	0.8
155.08592	2.1
157.10152	1.0
159.08043	1.2
165.06921	8.6
166.07730	1.8
167.08549	12.9
169.10043	6.9
171.07944	1.3
178.07813	1.7
179.08534	21.1
180.09245	11.9
181.10117	15.5
183.11630	3.4
187.11267	1.1
191.08498	3.5
192.09254	1.6
193.10136	10.4
194.11882	63.7
195.11690	15.1
197.09604	1.8
197.13216	1.1
203.08565	3.8
204.09311	15.3
205.10085	1.4
206.10910	10.8
207.11650	11.6
209.13237	52.9
211.11172	5.0
211.14793	6.4
213.12737	1.1
219.11656	26.0
221.13237	23.1
222.10406	3.5
237.12750	18.7
239.14284	12.1
255.13643	1.5
277.15857	1.2
279.13773	2.1
281.15277	4.9
295.17032	2.1
297.14783	1.6
313.17862	3.4
324.19498	1.3
339.15903	1.5
341.17468	6.4
355.18842	3.6
384.21570	1.0
415.21326	3.5
457.22238	1.5
472.24829	6.2
506.25653	1.1
507.21860	0.8
532.26929	29.9
537.17798	0.9
558.76611	1.0
593.81842	0.9
594.27728	1.8
594.35498	1.0
654.19366	1.8
654.30438	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	654.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53922	4.9
59.08220	4.9
63.79768	5.5
69.07053	6.9
79.05476	10.5
93.07021	12.1
95.04943	8.1
95.08595	9.4
97.06501	6.5
105.07021	44.1
107.04937	32.4
107.08591	12.2
109.06521	9.3
119.08583	14.5
121.10118	12.3
129.07001	10.0
131.08592	12.6
133.06497	29.8
133.10126	38.3
134.09648	24.1
143.08582	36.0
145.10135	10.8
147.08032	8.9
147.11650	7.2
149.06001	10.4
149.09589	8.2
150.09123	6.5
155.08536	26.6
157.10107	26.4
159.08041	14.8
159.11638	13.2
161.09595	14.1
167.08580	9.9
169.10143	47.1
171.07951	7.3
171.11604	21.8
173.09601	6.9
179.08510	13.9
180.09177	6.4
181.10126	14.8
183.11702	28.4
185.09619	9.6
187.11142	10.3
192.09360	12.0
193.10147	35.0
194.11716	40.0
195.11731	25.0
197.09605	25.8
197.13268	27.7
204.09491	7.9
207.11653	61.5
208.12541	8.2
209.09486	10.4
209.13290	30.3
211.11150	12.2
211.14879	9.7
219.11647	12.0
220.12474	32.6
221.13309	29.4
223.11226	8.6
223.14853	7.6
225.12720	24.2
233.13210	11.5
234.14034	39.2
235.11188	9.1
235.14742	25.6
237.12805	11.1
244.12483	12.3
247.11140	12.1
249.16364	57.6
251.14220	11.9
253.12247	9.3
253.15829	12.7
259.14890	8.5
262.13519	30.0
265.15952	9.4
267.17480	33.3
277.15845	97.1
295.16885	100.0
313.17847	20.9
337.17966	27.7
355.18939	56.2
372.66232	5.8
372.84915	6.7
415.21240	10.6
433.21820	7.3
548.77856	7.8
577.26324	14.4
594.34613	10.0
654.36298	9.3
657.86890	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	654.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74025	5.4
67.03757	5.7
72.01543	7.2
73.08652	6.9
79.05475	15.0
81.07057	7.0
83.04974	8.2
91.05470	26.0
93.07030	9.7
95.08587	7.1
97.21784	7.8
102.17365	6.5
105.07024	50.6
107.04958	83.0
107.08578	14.5
109.06588	7.8
111.08078	7.3
119.08562	30.8
121.10138	15.6
123.08053	6.7
129.07059	7.6
131.08554	40.6
133.06453	12.2
133.10130	15.4
134.09631	16.2
135.08049	30.4
143.08543	25.2
145.10194	21.8
147.08084	26.6
149.05986	33.5
149.09612	28.3
155.08546	10.4
157.10124	25.9
159.08061	27.8
159.11530	6.4
161.09561	9.8
163.11185	7.4
165.09152	10.0
165.97911	7.0
167.08601	10.7
169.10112	16.1
173.09644	13.4
177.09099	9.1
177.39719	7.4
179.08563	26.3
181.10020	13.0
182.10776	7.4
183.08107	7.4
183.11647	29.9
185.09705	25.9
187.11133	11.8
192.09421	9.7
193.10100	39.1
194.11951	55.0
195.11713	27.7
197.13176	12.8
199.11142	8.0
206.11046	8.5
207.11711	35.2
209.13304	32.1
210.11150	10.2
211.11205	13.0
219.11685	44.4
220.12578	13.5
221.13181	11.5
222.10435	8.4
223.11279	8.7
223.14590	6.8
225.12756	12.0
225.16405	7.0
233.13203	11.7
234.14008	42.3
235.14746	8.1
237.12704	39.3
239.18007	7.1
244.12439	9.0
247.11119	10.0
249.16435	86.7
253.15749	12.8
259.14877	10.9
262.13574	34.5
267.17468	37.1
277.15842	100.0
279.17361	8.5
295.16916	77.0
313.17865	7.3
337.18054	57.9
355.19116	42.5
379.18835	7.7
397.20139	35.6
423.16214	7.2
457.21887	31.2
594.34283	27.4
654.36786	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36476	6.7
70.06591	6.1
71.04454	6.2
75.10831	6.2
79.05496	12.3
80.60515	6.6
83.04962	25.8
92.17879	17.7
105.07025	14.1
107.04951	14.0
111.04450	31.0
119.04912	7.5
119.08566	11.0
134.09717	13.0
135.04420	10.7
135.08028	13.1
137.09671	8.8
149.09692	11.6
153.05472	34.6
157.10161	10.4
159.11731	9.0
161.09657	8.7
169.52811	7.2
171.11705	8.9
173.85863	6.9
175.11145	8.9
177.12769	11.9
181.92139	7.4
183.11710	9.9
185.13205	13.4
187.11182	9.0
195.11690	7.8
197.13219	8.0
199.11200	11.0
205.12260	59.1
211.11185	10.0
213.12776	27.7
217.12318	15.6
231.13788	13.9
241.12180	7.7
267.17441	12.9
273.14926	13.8
277.15860	13.8
295.17004	43.3
313.18121	77.5
355.19012	100.0
373.20187	75.4
415.21106	78.9
475.23468	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	654.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.5
57.23421	6.6
71.96420	9.2
85.36466	7.3
92.78024	6.9
97.06465	9.1
105.07032	13.2
108.21251	8.8
116.92534	7.4
119.08553	8.7
124.06077	7.7
125.00660	6.2
131.08548	9.1
133.06497	11.0
133.10118	9.9
141.06972	9.0
143.08565	36.4
147.07980	7.8
155.08562	15.7
157.10138	13.6
159.08034	10.3
159.11649	10.1
159.89725	7.3
163.64285	7.0
169.10126	37.6
171.08025	15.5
171.11610	8.4
183.11665	12.1
185.09541	10.8
187.11221	15.2
195.11723	9.3
197.09604	28.0
197.13217	13.7
199.11215	12.2
207.11728	15.0
209.09685	9.1
209.13307	8.5
211.11223	14.5
213.12697	9.2
223.11143	10.2
223.14841	12.9
225.12706	13.6
227.14394	11.2
253.15871	13.4
261.43454	7.2
267.17361	17.6
269.15393	11.3
277.15720	34.4
295.16852	56.8
313.17963	48.7
355.19019	16.8
373.19995	29.0
415.21179	35.6
475.23233	100.0
484.07776	8.3
517.24249	14.1
577.26556	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	654.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76336	5.6
65.69112	5.5
67.58784	6.4
72.09808	6.5
77.66128	6.6
83.08567	6.7
83.64643	7.2
88.10096	6.7
91.00993	6.6
91.05473	7.0
97.06533	9.8
105.07018	10.6
107.04955	8.8
107.08578	9.0
119.08596	14.2
121.06486	6.6
123.08064	9.6
131.08595	13.8
133.10155	7.8
135.08089	7.5
137.09554	7.3
142.45996	6.7
143.08571	11.2
155.08577	10.4
157.10126	9.5
161.09671	11.9
169.10114	35.3
171.11661	10.6
173.13300	7.5
177.09058	6.7
180.09465	8.6
181.10117	11.8
183.11687	16.0
185.09647	7.8
187.11238	8.6
193.10158	25.7
195.11720	11.7
197.09525	55.2
199.11169	12.5
201.12788	10.5
206.10988	6.8
207.11769	30.6
209.09598	7.5
209.13261	13.2
211.11189	13.4
213.12729	8.0
223.14851	13.7
225.12689	16.1
231.13847	7.7
234.14166	12.8
235.11111	8.1
235.14830	8.8
237.12694	14.5
247.14838	11.1
249.16338	8.8
251.14378	10.0
253.12192	12.7
253.15848	10.3
257.07584	6.6
262.13510	14.0
265.15863	26.5
267.17416	29.7
277.15891	50.7
283.16809	11.6
295.16943	100.0
313.18076	38.1
337.17999	12.7
355.19089	41.1
373.20538	10.6
415.21072	54.0
475.23425	46.6
517.24426	25.7
577.26208	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	654.327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83171	1.2
56.05034	7.8
62.58062	1.2
66.65328	1.2
68.44325	1.3
76.23576	1.1
79.05495	4.8
81.07063	1.8
83.08581	1.2
91.05473	6.0
93.07030	2.6
95.08640	1.5
100.51141	1.2
105.07030	50.4
107.04958	29.0
107.08596	6.1
119.04918	1.4
119.08578	19.9
120.08102	100.0
121.10133	9.5
122.46783	1.5
123.11632	1.8
131.04936	1.8
131.08551	9.5
133.10130	7.2
134.09682	8.7
135.08086	1.9
137.09663	4.4
143.08504	2.3
145.10147	2.5
149.06003	6.4
149.09566	1.7
157.10147	2.9
159.11647	5.4
162.09120	37.6
169.10114	2.7
171.11620	1.8
175.11151	1.3
180.10179	12.8
181.10242	1.8
183.11760	11.4
194.11786	18.5
195.11740	3.0
197.13292	3.0
207.11844	2.1
211.14954	1.7
221.13332	1.3
225.12704	1.4
234.14139	1.5
239.17944	2.7
249.16408	6.2
251.18057	2.2
267.17456	17.1
269.19070	2.4
285.18375	3.1
295.16949	2.0
313.18091	2.7
326.21078	8.5
386.23297	3.0
403.44894	1.4
469.75049	1.4
476.58401	1.5
572.85779	1.4
594.30212	8.9
654.35913	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	654.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52867	1.0
56.05035	6.9
58.02952	1.3
60.36292	0.9
65.86742	0.9
69.07069	1.4
79.05492	4.7
81.07040	1.2
81.63701	0.9
91.05482	5.6
92.17915	1.1
93.07020	4.0
95.08559	1.5
105.07033	50.9
107.04952	43.3
107.08594	6.6
109.10101	1.3
117.07001	1.6
119.04983	1.3
119.08574	19.1
120.08100	100.0
121.10130	8.1
131.04941	5.1
131.08589	7.8
133.10141	4.5
134.09612	5.7
135.08080	1.7
135.11702	2.4
137.09624	6.4
143.08600	2.1
145.10123	2.2
147.08052	1.3
147.11771	1.2
148.61435	1.1
149.05975	6.8
155.08534	1.6
157.10127	4.0
159.11673	2.4
161.09567	1.3
162.09128	35.6
171.11688	2.1
173.13100	1.0
180.10187	16.1
181.10162	1.4
182.10863	1.2
183.11682	12.1
185.13243	0.9
193.10216	1.0
194.11786	28.0
195.11981	4.2
197.13287	4.4
207.11749	1.7
209.13144	1.8
211.11162	1.4
211.14774	2.0
221.13298	1.6
239.17938	5.3
249.16386	6.4
251.17926	1.9
254.16121	1.0
267.17386	16.1
269.18909	2.1
285.18469	4.0
295.17038	4.2
308.20078	2.1
313.17871	4.3
326.21115	6.8
376.67044	1.1
386.22925	1.3
446.25189	1.1
451.42694	1.1
482.67700	1.0
594.30182	10.8
654.36017	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	654.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	5.9
64.92441	0.9
69.07057	1.2
79.05499	7.0
81.07076	1.4
83.62974	1.0
91.05479	4.2
93.07000	1.2
93.35751	0.9
95.08588	1.6
95.45779	1.0
98.59330	1.0
103.05503	1.1
105.07030	49.8
105.07739	1.7
107.04957	70.4
107.08582	5.9
109.10138	1.8
117.07019	1.2
119.08578	22.8
120.08100	100.0
121.10127	7.5
123.08049	1.1
123.11689	2.2
123.94100	1.0
131.04922	4.0
131.08551	7.2
131.62027	0.9
133.06563	1.4
133.10130	5.7
134.09650	17.0
135.08060	1.9
135.11653	1.8
137.09586	6.4
143.08565	1.9
145.10133	3.9
147.08031	1.8
147.11661	1.7
149.05974	10.2
149.09700	1.2
155.08598	1.9
157.10139	4.9
159.11656	1.6
161.09607	1.7
162.09128	34.6
162.10475	1.2
168.09381	1.0
169.10144	4.0
169.71497	1.0
171.11649	2.3
175.11160	1.8
180.10165	10.9
181.10159	1.8
183.11678	14.8
183.47150	0.9
193.10152	2.1
194.11761	50.4
195.11694	1.3
197.13199	1.9
207.11742	2.0
209.13269	1.7
211.11142	1.3
211.14844	1.2
220.12610	1.6
221.13264	1.2
234.14114	1.5
239.17931	6.4
249.16388	7.4
267.17435	19.1
269.19037	2.1
285.18579	1.5
295.16849	4.3
308.20227	1.3
313.18021	5.2
326.21164	6.5
386.23294	2.2
404.22760	1.0
474.01608	1.0
594.34174	14.2
654.36499	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	654.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62978	0.9
56.05030	5.9
57.44281	0.8
58.02964	1.6
70.48550	0.9
79.05486	5.1
80.57382	0.9
81.07054	1.4
82.83095	1.1
84.18845	1.0
91.05492	5.0
93.07030	5.5
95.08588	1.6
105.07027	49.5
107.04955	35.7
107.08598	7.1
109.10133	1.3
119.08576	15.6
120.08098	100.0
121.06479	1.1
121.10143	5.7
123.11701	2.0
131.04883	1.2
131.08562	7.7
133.10118	6.0
134.09637	8.9
135.08075	3.6
135.11670	1.1
137.09592	2.1
143.08554	2.2
145.10110	4.5
149.05966	7.2
155.08530	2.3
157.10063	4.5
159.11681	1.3
161.09560	1.6
162.09119	37.6
168.09331	1.4
171.11687	1.2
175.11165	1.6
179.08380	1.4
180.10211	12.0
183.11684	10.8
193.10294	1.1
194.11749	28.5
195.11914	4.5
197.13261	4.7
199.11124	1.2
207.11678	4.1
209.13197	2.1
211.14790	2.4
236.12885	1.2
239.17972	5.5
249.16359	4.6
251.17940	2.4
267.17380	13.3
269.19034	4.0
285.18515	4.1
295.17001	5.4
308.19788	1.0
313.17947	4.7
326.21054	6.4
368.90521	1.1
386.23370	1.9
516.13123	1.0
541.43683	1.1
579.57428	1.2
594.31030	6.5
654.36212	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	654.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62978	0.9
56.05030	5.9
57.44281	0.8
58.02964	1.6
70.48550	0.9
79.05486	5.1
80.57382	0.9
81.07054	1.4
82.83095	1.1
84.18845	1.0
91.05492	5.0
93.07030	5.5
95.08588	1.6
105.07027	49.5
107.04955	35.7
107.08598	7.1
109.10133	1.3
119.08576	15.6
120.08098	100.0
121.06479	1.1
121.10143	5.7
123.11701	2.0
131.04883	1.2
131.08562	7.7
133.10118	6.0
134.09637	8.9
135.08075	3.6
135.11670	1.1
137.09592	2.1
143.08554	2.2
145.10110	4.5
149.05966	7.2
155.08530	2.3
157.10063	4.5
159.11681	1.3
161.09560	1.6
162.09119	37.6
168.09331	1.4
171.11687	1.2
175.11165	1.6
179.08380	1.4
180.10211	12.0
183.11684	10.8
193.10294	1.1
194.11749	28.5
195.11914	4.5
197.13261	4.7
199.11124	1.2
207.11678	4.1
209.13197	2.1
211.14790	2.4
236.12885	1.2
239.17972	5.5
249.16359	4.6
251.17940	2.4
267.17380	13.3
269.19034	4.0
285.18515	4.1
295.17001	5.4
308.19788	1.0
313.17947	4.7
326.21054	6.4
368.90521	1.1
386.23370	1.9
516.13123	1.0
541.43683	1.1
579.57428	1.2
594.31030	6.5
654.36212	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	654.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31488	4.1
59.80523	4.1
67.05495	21.0
69.03409	6.2
72.26835	4.4
74.42410	4.8
79.05486	7.7
81.03411	5.5
81.07063	10.2
83.04993	9.7
83.08651	4.7
91.05451	7.9
92.17784	5.2
93.07034	27.4
95.04958	44.0
95.08560	8.8
103.81342	4.6
105.06991	38.5
107.04955	66.9
107.08559	19.6
109.06503	5.7
109.10123	5.6
119.08575	26.8
121.06516	7.4
121.10131	49.3
122.31672	4.9
123.04404	4.7
123.08079	7.0
131.08574	48.9
131.27705	4.1
133.06494	41.5
133.10114	100.0
134.09631	5.7
135.08054	25.3
135.11676	6.7
139.39252	5.0
143.08598	19.9
145.10104	31.4
147.08025	29.2
147.11697	11.7
149.06003	7.8
149.09622	19.1
151.07527	22.0
155.08559	8.5
157.10103	21.3
159.08049	25.2
159.11632	9.0
161.09578	7.8
167.08540	8.5
169.10094	20.2
170.10945	5.9
171.11632	23.8
173.13258	8.7
175.07520	7.0
177.09126	27.4
181.10069	10.9
182.48576	5.1
183.11667	27.9
185.13255	4.7
193.10155	6.1
194.11819	51.6
195.11685	26.9
197.09625	10.5
197.13258	18.8
206.10910	8.2
207.11667	24.7
208.12573	8.8
209.09532	5.2
209.13260	38.4
211.11064	7.1
219.11723	8.4
221.13194	17.0
222.14066	5.6
223.11032	6.0
223.14751	11.2
225.12656	8.5
225.16406	8.9
231.11655	7.6
235.14795	21.7
236.15579	6.5
246.14008	45.6
249.12885	5.2
251.17967	25.7
261.16403	33.6
264.15079	6.0
269.19119	4.9
273.78915	5.6
279.17459	72.3
297.18610	52.1
311.83640	4.5
321.18451	18.3
339.19614	25.4
357.20224	5.2
399.21744	42.4
417.22745	9.0
594.33917	4.8
654.35785	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.9
56.11212	4.4
58.66597	3.9
63.71769	6.1
67.05516	7.8
69.03419	8.2
81.00162	5.9
81.03424	27.0
81.07069	10.1
83.04984	6.1
90.40846	5.0
91.05492	10.6
93.07039	27.8
95.04974	38.2
104.18108	5.8
105.07042	52.9
107.04935	26.6
107.08593	26.3
109.10172	7.9
117.07060	5.4
119.08572	34.8
121.10144	25.7
123.08041	6.3
129.07047	8.0
131.08560	28.4
133.06459	7.3
133.10141	100.0
134.09648	6.8
135.08020	38.9
137.09598	9.7
143.08514	37.7
145.10085	10.1
147.08041	6.7
147.11661	9.5
155.08533	22.6
157.10115	25.7
159.08023	7.8
159.11676	23.3
161.09581	48.7
161.10802	5.4
163.11267	7.2
167.08545	5.8
169.10101	32.4
171.08037	7.9
171.11646	43.6
173.09579	10.0
173.13275	23.2
173.53412	5.5
175.11099	8.6
179.08521	8.4
181.10083	11.2
183.11720	12.1
185.13249	8.0
187.11154	6.9
193.10080	9.7
194.11778	24.6
195.11679	10.7
197.09602	9.2
197.13223	23.2
199.11121	22.2
199.14906	9.2
206.10916	11.7
207.11650	33.7
209.13084	6.1
211.11288	11.8
211.14841	8.3
215.08846	5.9
215.10777	6.1
219.11748	8.2
221.13243	25.5
223.14738	7.9
225.13007	6.7
233.13268	6.4
234.14082	7.5
235.14622	8.6
237.12634	6.8
239.14330	8.9
248.15678	12.8
251.17772	7.3
253.15843	6.8
263.17941	54.7
267.17319	6.1
269.15460	5.9
277.15976	7.0
279.17426	7.3
281.19022	71.3
295.16995	28.3
313.18008	11.0
323.20023	8.5
355.19299	9.6
373.19937	6.7
383.22211	31.9
415.21051	20.5
475.23148	41.0
654.35510	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	654.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56914	1.4
79.05484	8.1
91.05452	2.9
93.07036	2.6
94.72507	2.4
95.08591	2.4
101.52845	2.0
102.35326	1.8
105.07043	7.8
107.04259	4.0
107.04955	100.0
107.08591	3.7
109.10144	3.3
119.08556	12.3
121.10177	4.1
131.08556	7.3
133.10117	9.1
134.09650	14.7
135.00551	2.1
143.08574	4.4
145.10114	7.5
147.95445	1.8
149.05978	16.6
155.08557	4.1
157.10115	8.1
159.11716	4.4
169.10074	4.2
171.11707	3.2
183.11702	9.2
194.11761	78.1
195.11668	3.4
197.13321	8.1
207.11647	2.6
209.13277	3.2
210.11188	2.5
211.11093	2.5
221.13214	3.5
239.17894	4.2
253.19531	2.3
263.17831	8.2
281.18933	15.1
299.20081	12.5
341.21185	9.1
402.90277	2.1
416.03479	2.6
464.30219	1.8
594.34149	2.7
654.36371	71.7
681.88593	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	654.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87865	0.9
55.05503	1.1
57.14507	1.0
65.03471	0.9
65.97475	1.0
66.57398	0.9
79.05505	9.4
81.07058	5.0
83.08617	2.1
83.92751	1.3
90.70780	1.1
90.92957	1.0
91.05492	2.1
93.07037	4.8
95.04996	1.1
95.08607	4.7
105.07025	5.7
107.04959	96.6
107.08607	6.4
109.06577	1.5
109.10153	5.4
117.07052	1.5
119.08566	12.3
121.10117	5.5
123.08071	1.4
129.07031	1.3
131.08585	6.5
133.10123	9.3
134.09666	25.3
135.08080	2.0
135.11719	2.3
137.09598	5.1
143.08591	6.9
145.10098	9.9
147.11696	1.8
149.05980	21.2
149.09631	6.1
155.08586	7.2
156.09332	1.5
157.10146	9.0
159.08087	4.7
159.11731	5.6
160.15561	1.3
161.09647	5.8
163.11156	2.2
167.08571	2.4
169.10141	11.7
171.11662	6.6
173.09615	2.1
173.13278	2.7
179.08624	1.7
181.10155	5.3
183.11696	11.3
185.09560	2.2
185.13414	1.7
187.11211	1.6
193.10158	2.0
194.11775	79.5
195.11768	1.7
197.13167	8.1
199.11259	1.8
206.10930	1.4
207.11722	1.9
209.13284	2.7
211.11208	2.6
211.14842	5.9
221.13264	1.6
223.14766	1.8
225.12733	5.3
227.14418	1.4
237.16483	1.6
239.14366	1.5
253.19534	7.7
263.18030	4.4
271.20724	2.3
281.18991	14.5
299.20068	13.6
341.21021	1.8
534.31909	1.7
594.34198	18.6
654.36383	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	654.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64155	0.6
56.97458	0.6
57.85541	0.6
61.04294	0.7
67.85396	0.7
79.05501	7.3
84.40402	0.7
95.04932	1.0
107.04957	100.0
109.35120	0.8
114.15891	0.9
119.59038	0.7
134.09679	6.6
135.08081	0.9
145.10091	1.0
149.05966	17.8
167.17546	0.8
182.30646	0.9
194.11769	87.8
206.10989	0.8
262.96695	0.8
508.61850	0.8
508.71945	0.8
594.34436	1.4
654.36548	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	654.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33566	0.8
65.38956	0.9
72.04505	2.0
79.05512	7.9
91.05444	1.1
105.07014	1.6
107.04952	100.0
107.08601	1.7
109.10148	1.1
119.08543	2.0
121.10101	1.1
133.10117	4.8
134.09648	47.6
134.90082	0.9
143.08548	1.7
145.10146	1.6
149.05989	15.9
155.08553	1.5
157.10159	1.9
169.10080	1.3
171.11646	1.0
183.11784	1.0
192.10225	1.5
194.11757	87.7
197.13344	1.1
206.10600	0.9
233.12947	1.1
281.18951	1.3
474.30084	1.3
534.32025	4.3
594.34296	20.2
654.36395	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	654.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87478	1.5
51.29639	1.7
55.40723	1.8
56.15094	1.6
62.64612	1.7
66.89581	1.7
67.62787	1.8
78.34456	1.5
79.05484	9.2
83.08597	2.1
92.18514	4.1
93.07024	3.8
105.07024	10.2
107.04957	99.6
107.08607	3.2
109.10070	2.0
119.08578	13.0
121.10117	3.5
123.21920	1.7
131.08517	3.5
133.10115	9.7
134.09633	10.8
135.11691	2.2
143.08560	7.5
145.10130	8.1
147.11694	2.0
149.05966	19.4
149.09650	2.0
155.08525	3.0
157.10136	12.2
159.11617	3.3
169.10098	10.3
171.11723	3.5
173.09612	2.7
173.13312	2.9
181.10139	2.7
183.11636	13.6
185.13364	2.6
193.10117	2.1
194.11761	88.2
195.11751	6.5
197.13303	12.5
207.11760	3.0
209.13330	2.5
211.14894	2.7
221.13283	3.8
235.14839	2.4
239.14384	2.8
239.18033	3.5
248.15514	2.9
253.19588	2.0
263.17755	3.4
281.19083	12.3
299.20023	10.0
341.21191	13.1
463.49088	2.1
594.33258	2.2
654.36322	100.0
654.47321	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	654.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73035	0.5
72.26878	0.5
73.95908	0.4
74.41135	0.4
79.05478	5.8
84.96837	0.7
91.05466	1.9
105.07021	1.0
107.04948	81.4
107.08583	1.0
109.10103	0.6
111.91229	0.5
119.11783	0.4
121.10135	0.6
133.10121	0.9
134.09642	7.7
135.08054	1.1
149.05978	15.7
157.10048	0.5
166.45634	0.4
182.97456	0.5
194.11752	100.0
210.11165	1.2
262.72678	0.5
281.18869	0.9
299.36160	0.7
474.30002	1.1
534.31842	0.9
585.88544	0.5
594.34137	2.6
654.35516	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	654.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04505	0.9
74.92137	0.6
77.03526	0.6
79.05487	7.6
82.61930	0.7
91.05479	1.6
92.51149	0.7
93.07007	0.8
95.05006	0.7
95.26587	0.6
97.76978	0.7
105.07034	7.8
107.04953	100.0
107.08600	3.1
114.22995	0.6
119.08572	16.0
120.08103	7.0
121.10173	1.2
131.08559	1.4
133.10138	3.7
134.09656	25.5
135.08060	1.0
135.11658	0.6
137.09601	1.1
145.10118	2.9
149.05972	18.3
151.11241	0.6
157.10138	3.0
161.09598	1.2
169.10085	1.5
171.11685	1.1
180.10167	2.9
185.13210	1.0
194.11761	79.8
195.11778	1.4
197.13332	1.1
275.52173	0.7
281.19080	1.1
314.88852	0.7
401.23163	4.3
478.64932	0.8
536.29913	1.6
594.34296	23.2
654.36176	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36702	0.9
58.19241	1.0
59.25751	1.2
59.41367	0.9
72.04478	1.3
74.90550	1.0
75.19791	1.0
79.05503	7.4
85.13456	1.1
85.65779	1.0
91.05420	1.5
93.57692	1.0
105.07015	12.2
105.76929	1.2
107.04951	100.0
107.08574	1.3
119.08566	16.2
120.08096	22.1
121.10133	5.0
131.04915	1.1
131.08542	2.3
133.10095	2.3
134.09645	28.2
137.09647	1.3
145.10081	4.3
149.05965	14.5
149.09616	1.2
155.08505	1.4
157.10089	1.9
159.11598	1.3
162.09088	6.3
169.10085	1.8
175.11372	1.3
180.10205	2.1
181.10126	1.8
183.11714	4.6
194.11754	80.4
197.13226	2.0
197.20218	1.2
234.14038	1.4
267.17636	1.2
281.19067	1.5
401.23291	1.5
550.21069	1.6
594.34302	15.7
654.25842	7.9
654.36060	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	654.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34457	0.9
66.50715	1.0
79.05508	8.1
81.07081	1.5
83.08620	1.3
91.05482	2.0
93.07037	2.2
95.04996	1.5
95.08598	2.1
105.07038	8.7
107.04953	100.0
107.08617	2.3
109.05348	1.2
109.10156	1.9
119.08571	8.4
121.10150	5.8
123.08080	1.9
129.06978	1.3
131.08569	5.2
133.10118	7.8
134.09654	48.8
143.08542	5.5
145.10129	6.3
147.11688	2.1
149.06009	13.7
152.22693	1.1
155.08586	7.7
157.10094	5.7
159.11667	2.4
163.11185	1.6
163.79755	1.5
169.10121	6.9
171.11749	2.2
173.13300	2.1
181.10130	1.9
183.11696	6.7
194.11769	91.8
197.13280	5.5
201.12753	1.4
207.11589	1.4
209.13179	1.1
211.14911	1.9
221.13228	2.5
230.75798	1.1
245.40585	1.3
253.19627	1.7
263.17917	1.4
281.19061	7.0
299.19946	2.1
341.21112	1.8
401.22949	1.9
426.70294	1.2
496.02325	1.1
534.32135	4.6
594.34277	57.9
617.07751	1.4
654.35992	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	655.187
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
54.84449	0.6
54.85801	0.7
59.21473	0.7
60.95921	0.7
71.04981	4.9
77.09439	0.6
78.23748	0.7
85.02902	7.4
97.02908	0.8
98.71539	0.7
100.66001	0.9
117.68765	0.8
133.27307	0.8
149.65623	0.8
153.60951	0.7
167.03374	0.7
171.12054	0.8
201.96616	0.9
295.60043	0.9
323.75058	0.8
332.05289	4.6
347.07578	100.0
509.12524	1.4
594.64471	0.8
655.29651	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	655.1868
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
55.59596	0.3
57.03430	0.8
67.21468	0.4
69.03402	0.7
70.01428	0.3
71.04990	6.3
85.02910	9.1
129.05460	1.5
137.09572	0.4
139.09561	0.4
153.05434	0.4
165.55609	0.4
167.03374	1.9
179.03427	0.6
187.93050	0.4
205.25885	0.4
205.79248	0.4
235.10632	0.5
258.11411	0.4
259.05945	0.6
277.08151	0.4
287.05417	1.6
301.07471	0.4
303.05032	0.4
305.11469	0.5
315.04813	1.3
324.10995	0.4
332.05197	5.2
347.07574	100.0
509.12891	2.1
598.24463	0.4
637.28491	1.5
655.29163	1.9
670.84485	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	655.1869
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
54.54656	0.4
57.03425	0.8
57.82860	0.3
63.04760	0.3
63.33873	0.3
65.18716	0.3
69.03437	0.4
69.15405	0.4
69.89216	0.3
71.04991	8.6
85.02905	11.2
88.53000	0.3
97.02901	0.5
105.70442	0.3
108.09914	0.4
129.05501	2.8
136.25864	0.4
139.03937	2.6
147.06516	0.5
153.01823	1.7
153.05428	3.6
165.01840	2.3
169.42027	0.5
170.25514	0.4
181.04877	0.4
200.80377	0.4
269.04474	0.4
286.04611	2.5
287.05402	5.9
291.08533	2.8
303.04800	0.4
314.04153	0.6
315.04907	1.7
331.04532	0.7
332.05261	3.4
347.07578	100.0
352.74390	0.5
509.12973	1.8
642.51080	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	655.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
59.04985	1.6
65.98618	1.5
67.05495	1.7
69.03402	1.7
69.07071	2.3
71.05018	1.5
77.03939	1.4
78.86583	1.3
79.05470	1.7
81.07066	1.7
83.04976	2.4
88.16328	1.5
91.05476	3.0
93.07014	2.5
95.04959	13.1
105.03391	100.0
105.04452	2.6
105.07008	10.7
107.04937	2.3
107.08569	2.1
109.06497	1.8
112.33742	1.3
117.07019	2.5
119.08566	5.7
121.06478	1.8
121.10107	1.5
129.06964	1.8
131.08563	3.1
133.06482	24.4
133.10147	2.6
135.08052	3.3
142.07730	1.6
143.08565	7.9
145.06532	2.1
145.10129	2.9
147.08067	5.9
149.05989	2.1
155.08559	6.9
156.09340	1.6
157.10120	2.9
159.08047	3.4
161.09656	6.9
162.73904	1.5
165.07002	2.0
167.08658	1.9
168.81544	1.4
169.10138	11.4
171.08034	6.7
171.11703	7.2
173.09563	2.4
175.22844	1.5
179.08577	2.5
179.10669	2.4
181.10149	6.1
182.10933	2.4
183.08165	2.1
183.11600	12.4
185.09612	7.7
185.13216	1.5
187.11076	2.2
192.09354	1.6
193.10167	5.1
195.08134	1.9
195.11725	8.3
197.09596	7.8
197.13301	9.1
199.11195	9.3
206.10884	1.9
207.11757	6.3
208.12509	1.7
209.09627	4.8
210.10460	2.0
211.11179	17.8
213.09120	1.7
213.12735	3.3
215.10622	4.8
218.10941	2.0
221.13354	4.8
222.10495	1.7
223.11218	6.7
223.14851	6.2
225.12662	10.0
225.16397	1.5
227.10600	16.1
235.11134	6.4
236.11928	1.4
237.12663	1.7
237.16362	2.7
241.12167	3.1
241.15965	1.8
247.14726	2.5
250.13379	2.4
251.14317	6.1
253.12224	13.8
255.17668	1.9
265.15903	10.4
269.11844	2.2
269.15219	2.5
271.13303	6.7
275.14395	2.2
281.15289	2.0
283.16785	2.7
293.15356	22.1
311.16376	18.1
313.14548	3.2
329.17505	3.1
353.17410	2.9
371.18497	13.5
413.19485	3.0
415.19217	1.8
472.35788	2.0
547.27728	2.0
553.23944	7.7
655.28259	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	655.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23303	1.5
53.03946	2.3
56.34733	1.3
61.39354	1.6
63.87322	1.4
66.18430	1.5
73.30563	1.6
74.72095	1.5
79.05466	2.0
91.05467	2.3
95.04950	7.9
105.03391	100.0
105.07032	11.3
107.08592	2.5
109.06513	1.7
119.08604	2.9
120.86156	1.6
121.06460	6.5
128.14052	1.6
131.08595	3.3
133.06505	9.1
135.08034	3.2
143.08528	2.5
145.06375	2.5
145.10120	2.9
147.08023	3.2
149.05855	1.7
149.09686	2.5
159.08049	7.6
161.09576	15.0
167.08487	2.1
169.10101	3.1
171.08067	6.3
173.09628	7.1
179.08575	2.3
181.10132	11.1
183.11720	2.7
185.09718	3.4
192.09331	3.0
193.10237	3.3
195.11720	9.2
197.09624	8.2
199.11169	29.6
207.11757	6.8
208.12598	2.8
209.09653	8.0
209.13217	6.3
211.11137	32.2
212.53319	1.7
219.11757	1.8
221.13261	2.9
223.11177	12.8
223.14758	3.0
225.12747	19.4
227.10674	30.1
232.12308	2.5
235.11203	8.6
235.14915	2.5
237.12450	1.9
237.16362	3.8
241.12140	2.3
245.13333	1.6
247.14737	8.1
248.11852	2.1
251.14333	4.1
253.12262	26.1
263.14334	8.0
265.15826	13.4
269.11768	18.0
269.14633	2.0
271.13287	13.6
275.14273	3.9
281.15405	6.9
283.16788	2.1
293.15399	16.2
311.16473	11.6
313.14288	14.9
353.17545	3.3
355.15448	13.1
371.18564	2.7
373.16479	3.0
413.19348	2.5
415.19061	3.6
475.20990	12.3
493.22079	7.7
535.23383	9.0
595.25250	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	655.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13476	1.3
53.03955	3.5
53.98489	1.6
55.01878	1.5
59.89702	1.4
62.63966	1.5
63.35556	1.7
69.03384	1.8
69.07063	2.0
77.03922	1.8
79.05492	2.6
81.07057	2.3
91.05508	2.7
93.07021	3.0
95.04954	13.5
95.08604	2.4
97.06524	3.0
101.22366	1.4
105.03397	100.0
105.04491	3.1
105.07040	13.9
107.04953	6.8
107.08579	3.1
109.06490	2.1
118.86971	1.9
119.08586	6.8
121.06492	2.9
121.10100	2.0
123.08032	2.8
131.08575	2.8
133.06465	24.4
133.10135	3.2
135.08035	3.5
141.07004	2.4
143.08533	6.9
145.10097	3.4
147.08038	2.7
149.05978	1.9
149.09689	2.3
153.06973	2.0
155.08546	7.9
157.10127	2.7
159.08014	8.7
161.09650	1.7
161.20143	1.6
167.08484	2.0
169.10120	8.9
171.08049	6.1
173.09569	2.9
179.08588	2.1
181.10124	7.5
181.87663	1.6
183.11694	9.5
185.09717	3.2
192.09296	2.0
193.10114	3.0
195.08167	2.2
195.11758	7.9
197.09634	4.0
197.13245	7.9
199.11182	12.3
207.11691	8.4
208.12451	2.9
209.09563	3.2
209.13191	2.7
210.10452	2.0
211.11220	13.3
213.12778	6.1
217.10081	2.6
220.12389	1.6
222.10558	2.2
222.14024	2.1
223.11209	9.3
223.14641	2.4
224.12029	1.9
225.12827	11.3
227.10719	12.0
233.13318	1.8
235.11133	7.9
236.12192	1.7
237.12744	2.2
239.14325	3.5
240.14703	2.0
241.15869	2.7
250.13739	1.7
251.14041	2.5
253.12273	11.1
253.15805	2.4
260.11880	2.6
265.15936	9.5
269.11838	2.7
271.13223	3.1
275.14270	2.6
283.16904	10.4
293.15268	20.5
311.16367	18.8
313.14343	7.1
329.17178	2.1
353.17416	7.8
371.18558	9.8
413.19348	2.6
431.20850	3.0
475.21036	1.8
493.22061	2.7
553.24335	3.6
607.31421	1.7
655.26917	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	655.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
66.36227	1.2
69.03438	2.1
78.34937	1.4
86.36482	1.3
91.05457	1.9
92.61282	1.3
93.07046	1.5
95.04953	9.6
105.03397	100.0
105.04498	3.1
105.07027	7.8
107.04942	1.6
119.04919	9.2
119.08534	2.4
121.06525	2.9
133.06487	6.5
135.08052	2.2
143.08545	2.8
145.10185	1.6
147.08043	1.9
149.05949	2.0
149.09576	1.4
151.07558	1.5
157.10121	1.9
159.08095	5.5
161.09648	7.0
166.02510	1.4
169.10153	3.0
171.08020	1.5
173.09589	1.6
177.09108	2.0
179.08536	2.5
181.10100	7.2
193.10110	5.1
195.11697	6.8
197.09599	8.9
198.10365	1.8
199.11176	14.0
207.11731	5.4
209.09637	7.0
209.13115	2.1
210.10466	1.7
211.11185	21.7
213.12753	1.5
221.13281	2.4
222.10408	2.1
222.13956	2.0
223.11180	7.0
223.14783	2.6
225.09152	2.3
225.12735	12.5
227.10661	15.6
227.14304	1.8
232.12402	2.0
235.10994	2.0
235.14819	2.0
237.12703	2.4
237.16457	2.2
239.10855	2.0
241.12221	6.3
247.14655	1.9
249.12560	2.1
250.13588	1.9
251.14404	2.5
253.12204	13.3
253.15884	2.3
263.14355	7.1
265.15741	11.2
267.13937	1.5
269.11725	6.4
271.13303	7.3
275.14328	6.4
281.15347	6.3
283.16943	3.2
293.15384	15.8
295.13245	2.3
299.15686	1.4
311.16290	12.2
313.14316	6.9
327.15775	2.7
333.41605	1.6
353.17477	10.6
355.15353	7.6
416.25809	1.3
475.20734	2.0
535.23517	11.0
591.52972	1.6
595.24823	1.4
655.32520	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	655.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.5
57.07068	12.6
58.34814	1.4
59.45495	1.9
62.73822	1.7
66.37146	1.6
69.96944	1.6
71.66618	1.7
83.03707	2.0
83.04506	2.5
83.04981	65.1
91.05513	2.2
101.42380	1.8
101.89098	1.9
102.49856	1.8
126.19272	2.1
129.06960	3.3
140.80418	1.8
145.17198	1.7
147.08080	2.5
147.11679	3.6
175.01563	27.5
181.02586	66.7
204.12685	1.8
227.04639	27.7
231.07886	3.0
236.47479	2.0
251.57942	2.3
257.05719	8.2
283.11008	7.8
313.11996	46.6
369.18265	9.9
432.50623	2.3
487.12811	3.5
543.19293	3.7
599.24744	15.9
646.57581	2.0
655.31549	100.0
655.42554	3.7
677.17145	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	655.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14010	0.9
64.50868	0.8
70.22921	0.8
105.03400	1.7
126.82958	1.1
142.66190	1.1
148.69481	1.0
162.96814	0.9
169.10228	0.9
190.30789	1.0
197.90450	1.4
209.05997	4.4
209.09717	1.1
215.10645	1.9
221.09621	1.4
221.50803	1.1
223.11171	4.6
227.06949	2.0
227.10599	1.2
229.04941	1.1
239.10728	1.8
239.14464	0.9
241.08565	1.1
241.12213	30.2
243.10118	2.1
251.10670	1.3
253.45659	1.0
255.10028	1.7
265.15839	1.3
267.10330	1.5
267.13904	1.8
269.11719	17.5
282.83197	1.1
283.16885	2.0
285.11325	4.4
297.14832	2.2
309.14841	4.4
311.16632	1.2
325.14246	4.1
326.15030	2.1
327.12015	2.0
327.15875	52.8
562.46844	1.1
655.32605	100.0
676.86255	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	655.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96930	0.9
61.16612	0.8
65.00432	1.1
67.05498	1.3
69.07085	1.0
70.48560	0.8
76.61048	1.0
79.05482	2.4
81.07062	2.0
91.05476	96.9
93.07044	2.5
95.08604	2.0
96.12238	1.1
103.05457	1.6
105.07047	11.1
107.04964	2.2
107.08593	7.8
109.10175	9.4
110.92851	1.1
117.06990	2.0
119.04942	17.7
119.08568	10.3
120.08121	10.0
121.06536	1.2
121.08405	3.6
121.10184	4.8
122.91274	1.1
123.11598	1.1
131.08591	5.5
133.10112	7.3
134.06213	1.0
134.09653	23.9
135.11700	5.4
143.08563	2.4
144.08047	2.5
145.10143	6.3
147.11710	5.3
151.11176	1.7
155.08524	1.6
157.10181	4.2
157.44652	1.0
158.09612	1.0
159.08139	1.1
159.11717	4.2
162.09103	1.9
169.10060	3.6
171.11679	4.1
172.07504	1.8
180.10242	2.1
181.10165	4.0
183.11763	2.1
185.13272	2.2
195.11723	2.3
196.12491	4.8
197.13257	4.2
198.96497	1.0
209.13219	4.8
210.11237	92.6
223.14784	1.8
230.22350	1.3
237.16328	12.1
252.13930	1.2
252.18767	7.8
253.19511	2.2
308.20016	8.7
326.21109	1.2
346.36087	1.1
368.22388	3.7
595.31250	2.4
607.16998	1.1
637.34497	4.0
655.35919	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	655.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42728	1.0
57.81738	1.3
57.94243	1.0
60.21528	1.0
60.77469	1.2
62.40273	1.0
67.05503	1.5
76.38233	1.1
77.03916	1.5
79.05489	1.9
81.07072	2.1
88.88206	1.3
91.05479	83.2
92.23782	1.0
93.07047	1.8
95.08595	4.3
103.05457	1.7
105.07030	6.0
107.04958	5.8
107.08607	6.4
109.10147	5.5
112.43960	1.1
117.06966	1.1
118.13906	1.0
119.04931	16.2
119.08598	7.8
120.08096	4.4
121.10115	2.5
123.11720	1.7
129.06982	1.4
131.08563	4.9
133.10121	5.9
134.09650	22.8
135.11659	2.6
143.08519	2.2
144.08112	1.6
144.09372	1.7
145.10170	4.9
147.11636	2.3
149.09721	1.4
155.08546	2.3
157.10117	5.5
159.11690	1.9
161.09637	1.4
163.11263	1.2
169.10150	1.6
171.11714	2.0
181.10126	1.7
182.10982	1.2
183.11723	6.1
194.11745	2.1
195.11833	4.8
196.12460	2.4
197.13289	6.8
209.13319	2.5
210.11235	85.8
221.13113	1.3
237.16286	8.8
252.18744	6.6
253.19528	2.0
308.20154	5.8
326.20990	2.3
368.22308	1.7
607.03192	1.3
655.35852	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	655.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77391	1.1
53.38589	1.1
54.04677	1.0
67.05518	1.2
69.07062	1.8
78.88453	1.1
79.05503	4.4
81.07063	2.1
91.05478	100.0
93.07059	5.1
95.08596	7.1
103.05451	5.2
105.07017	14.4
107.04951	21.8
107.08615	9.8
108.05322	4.9
109.10176	5.4
117.07056	1.6
119.04939	22.5
119.08535	8.5
120.08083	14.0
121.08376	1.4
121.10094	5.8
123.11690	1.8
130.36829	1.7
131.08575	5.3
133.10095	9.1
134.09644	28.7
135.10016	1.4
135.11736	6.2
143.08568	2.4
144.08096	2.2
144.09276	1.3
145.06477	1.3
145.10107	2.7
147.08070	1.5
147.11710	2.9
149.05919	2.3
155.08559	1.7
157.10184	5.2
158.09650	1.3
159.11705	5.4
162.12675	1.5
169.10164	3.0
171.11646	1.8
172.07700	1.3
180.10205	2.6
181.10178	2.5
183.11757	5.1
185.13216	2.1
194.11862	8.6
195.11914	7.8
196.12520	5.0
197.13301	8.4
200.10742	1.7
209.13319	5.7
210.11240	95.6
211.14821	2.0
237.16446	10.7
252.18764	7.2
253.19571	2.0
308.20093	6.0
326.21457	1.4
333.28241	1.2
368.22125	5.0
465.24994	1.4
595.30420	10.0
617.74854	1.4
637.35034	2.1
655.35895	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40961	1.1
69.07075	1.5
76.84735	1.3
79.05503	2.2
82.13016	1.2
91.05476	100.0
93.07040	2.7
95.08588	2.4
103.05471	2.3
105.07061	7.5
107.04958	14.4
107.08595	5.8
108.05312	2.0
109.06502	1.1
109.10165	2.6
119.04945	19.6
119.08617	7.6
120.08082	1.9
121.10153	2.7
123.11675	1.5
131.08559	5.7
133.10155	7.5
134.09654	26.7
135.11676	2.4
143.08583	1.4
144.08170	2.0
145.10146	6.8
147.11728	1.4
149.06009	2.1
152.20235	1.1
157.10153	2.8
158.09642	2.4
159.11684	2.0
164.13829	1.3
169.10173	2.2
171.11598	2.0
172.07635	2.5
180.10246	1.6
181.10188	1.5
183.11696	2.1
192.35579	1.1
194.11723	10.9
195.12027	6.7
196.12495	2.3
197.13388	2.8
207.11676	1.9
209.13240	2.5
210.11241	93.9
223.14789	1.9
237.16432	7.8
252.18791	5.1
253.19704	1.9
308.20267	4.1
316.55914	1.1
368.22455	1.5
372.75766	1.2
405.29843	1.2
493.28183	2.5
655.35980	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48486	3.0
57.07083	43.2
61.02923	9.1
67.05520	10.1
69.07070	7.3
71.08621	54.3
73.02889	4.1
81.07045	22.5
83.08611	20.8
83.78818	3.8
85.02893	7.0
85.10178	28.9
91.03937	8.1
95.08595	36.8
97.02907	4.5
97.10157	8.7
109.10126	18.2
145.04965	6.0
152.79990	4.2
163.06070	4.4
194.11784	5.5
199.05472	5.1
212.46272	3.9
232.12125	3.9
239.23596	8.6
313.27347	100.0
331.28311	60.8
420.92957	4.4
655.31219	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.05618	0.5
55.05503	0.7
55.07984	0.5
55.16059	0.5
55.51992	0.5
63.25699	0.6
67.05502	1.1
74.06075	23.3
79.05495	9.9
81.07063	2.3
91.05469	11.3
93.07043	3.1
95.04952	1.2
96.71859	0.5
97.10155	1.1
97.18718	0.7
98.88650	0.6
105.03379	14.8
105.07035	3.9
107.04949	100.0
107.08566	1.2
117.07024	1.1
119.04929	2.5
119.08574	4.2
125.09656	1.2
129.06955	1.3
131.04909	0.9
131.08566	2.6
131.69867	0.6
132.08025	1.2
134.09631	9.5
141.06990	0.7
143.08578	3.1
145.10135	0.7
147.07980	0.6
149.05969	15.1
149.07051	0.9
150.09117	2.2
154.66040	0.6
155.08533	6.0
157.10127	0.8
159.08047	1.0
165.07016	1.4
167.08562	4.2
168.09375	1.0
169.10112	12.0
178.07793	2.4
179.08519	8.1
180.09349	2.5
181.10139	5.5
182.10951	0.9
183.11685	18.8
191.08559	3.4
192.10243	1.3
193.10187	2.9
194.11794	72.7
194.67372	0.7
195.07819	0.7
195.11636	4.1
196.12509	2.2
203.08585	2.7
204.09322	9.1
205.10205	0.8
206.10852	7.8
207.11784	1.2
209.13245	12.7
211.11597	0.8
211.14806	28.3
219.11673	23.7
220.09741	1.4
221.13225	10.4
222.10390	0.8
227.14355	0.7
231.94621	0.6
237.12727	11.1
238.10786	5.6
238.13054	0.5
239.14293	5.5
255.13774	1.1
279.13840	0.6
297.14865	0.8
299.16406	1.4
334.55933	0.7
359.16653	1.0
403.42032	0.5
413.39020	0.7
434.03433	0.6
441.26138	1.9
459.27328	7.1
474.26300	4.7
477.28354	2.0
534.28595	6.4
612.23529	0.7
656.32117	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67874	0.8
53.95945	0.8
57.68300	0.7
60.66384	0.8
60.71896	1.0
75.12572	0.9
79.05476	4.3
81.07042	4.4
84.51016	0.9
91.04903	2.0
91.05472	51.3
93.07050	4.0
103.05448	1.2
105.07027	9.2
107.04273	1.5
107.04953	32.8
107.08580	4.1
109.10195	1.0
111.08070	1.8
119.04914	11.1
119.08572	16.7
120.08128	4.4
121.06484	1.4
121.10129	1.8
123.08031	3.8
129.06966	1.9
131.08577	5.6
133.06488	1.8
133.10097	2.3
134.09642	13.8
135.08046	6.2
137.09569	1.8
143.08569	2.2
145.10104	4.1
147.08043	6.1
149.05971	6.1
149.09590	4.9
157.10112	2.1
159.08006	1.2
161.09639	2.0
163.07608	1.6
169.10115	2.2
171.07942	1.0
173.09630	1.1
177.09059	1.4
180.10175	22.0
181.10214	1.3
183.11676	2.1
185.09625	1.1
193.08629	5.6
193.10184	1.7
194.11757	2.1
195.11771	1.4
197.09596	1.4
199.11215	1.4
208.12526	1.0
209.13245	1.5
210.11240	35.8
211.11185	2.3
211.14816	1.3
220.12492	1.5
225.12709	1.1
225.16373	1.7
235.14867	0.8
253.15834	4.1
281.15442	1.9
281.18912	1.7
299.16357	1.3
656.30554	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	656.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60208	1.0
59.97137	0.9
79.05477	2.1
81.07054	3.8
89.02122	0.9
91.05479	44.5
95.06142	1.1
95.51629	1.3
105.07027	6.6
107.04952	32.0
107.08591	4.8
117.07022	1.5
119.04926	10.5
119.08568	16.8
121.06487	1.0
123.04435	1.0
123.08034	4.2
131.04939	1.3
131.08534	5.7
133.06390	1.6
133.10185	1.3
134.09650	17.5
135.08047	7.9
135.91577	1.0
137.09615	2.2
143.08563	2.0
145.06560	1.1
145.10115	4.5
147.08090	1.5
149.05954	7.9
149.09633	1.7
157.10139	1.6
159.07980	1.3
163.07567	4.2
165.09055	1.1
169.10080	4.0
180.10197	6.6
181.08574	2.2
183.07870	1.0
183.11736	1.9
187.11238	1.5
193.08598	6.2
194.11790	18.5
195.11752	1.2
197.09724	1.0
207.11736	1.3
210.11235	28.4
211.09506	1.6
211.11269	2.2
235.14792	1.7
267.05212	1.0
281.15643	1.2
301.14212	2.1
309.14832	1.2
310.51031	1.2
327.15826	1.5
453.99911	1.2
656.30591	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	656.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58305	0.6
55.05508	1.0
67.05495	0.9
69.03425	2.8
69.07047	0.7
79.05481	2.8
81.07058	7.8
83.04985	1.1
91.05478	24.5
93.07024	6.7
93.69491	0.6
95.04951	1.0
95.08591	4.0
97.06516	1.0
99.04421	1.0
103.05489	0.9
105.07026	18.7
105.07726	0.9
107.04937	2.7
107.08574	5.5
109.06510	5.3
111.08110	1.5
117.07005	1.1
119.04934	7.2
119.08569	13.9
121.06487	5.2
121.10126	1.4
123.08069	4.6
128.06233	1.0
129.07011	2.8
131.08574	5.9
133.06499	1.3
133.10121	4.9
134.09618	7.9
135.08051	5.4
137.05981	4.6
137.09604	1.4
143.08566	7.8
145.06526	0.9
145.10138	6.8
147.08049	4.7
149.05960	1.0
149.09601	2.8
153.05513	0.7
155.07091	1.2
155.08556	2.8
157.10120	6.5
159.08022	2.6
161.09596	7.0
163.07588	1.6
167.08559	1.0
169.10124	5.4
171.08026	1.0
171.11679	3.9
173.09630	2.9
176.89076	0.8
177.09134	1.6
179.08543	0.9
180.09309	1.4
181.08694	0.8
181.10115	4.4
183.11702	5.6
185.09550	3.0
189.09088	5.6
192.09270	0.8
193.10114	4.0
195.11682	10.8
197.09628	0.8
197.13269	3.5
199.11240	3.2
205.10028	0.7
206.10966	5.9
207.11749	5.1
208.12491	0.8
209.09723	1.0
209.13292	5.7
210.11255	23.1
211.11203	3.1
211.14767	6.4
213.12767	1.4
215.14287	0.8
220.12505	3.1
220.45599	0.7
221.09676	0.9
221.13277	6.0
223.11221	4.6
223.14836	1.3
224.11879	1.2
225.12802	3.0
225.16422	3.4
227.14459	0.8
229.15741	1.1
233.13103	0.9
235.11176	0.9
235.14835	3.9
237.12747	1.4
239.14407	4.0
241.12239	1.5
245.13257	1.2
248.12013	1.3
251.14343	1.0
253.15887	5.2
263.14297	3.3
269.15393	1.0
271.16992	1.2
281.15289	6.1
299.16397	7.8
317.17111	0.8
327.15982	4.3
380.23880	0.7
387.17941	0.9
482.43765	0.8
495.67691	0.8
553.26221	0.7
656.30615	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	656.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06277	0.6
60.06400	0.6
65.55804	0.7
79.05490	9.1
81.07043	1.7
91.05488	6.2
93.07030	1.7
95.04929	1.2
96.58116	0.8
100.77596	0.7
105.02866	0.7
105.03409	10.3
105.07030	3.9
106.27915	0.8
107.04952	100.0
117.07043	1.0
119.08574	5.5
121.11816	0.8
129.06976	1.7
131.08560	1.4
134.09639	9.2
138.27663	0.7
141.06999	1.0
141.13954	0.7
143.08560	5.5
149.05983	15.7
155.08540	5.4
157.10112	1.4
167.08517	0.8
169.10069	10.8
179.08511	1.7
180.09219	0.8
181.10146	1.5
182.11050	0.8
183.11687	18.1
191.08426	1.1
192.09352	1.1
193.10104	3.0
194.11768	68.0
195.11760	1.0
196.12509	1.7
206.10898	5.0
209.13286	1.4
211.14790	27.9
211.16724	1.2
221.13228	10.2
239.14349	3.8
299.16354	0.9
299.79532	0.9
353.61700	0.7
474.26508	4.9
534.29004	6.9
656.32123	52.2
664.76361	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	656.324
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17358	1.9
65.64976	1.6
74.06068	2.9
79.05498	2.5
85.77078	1.8
89.08556	1.5
91.05486	3.0
105.03432	3.4
105.07026	2.3
107.04955	60.9
113.39536	1.7
119.08582	2.6
134.09694	6.7
143.08524	2.1
149.05995	8.5
155.08534	2.0
167.08615	2.0
169.10100	4.4
179.08643	2.5
183.11685	12.4
193.10178	3.7
194.11804	37.6
207.11801	1.7
209.13312	4.3
211.14839	16.2
219.11763	9.8
221.13271	3.4
237.12779	3.3
239.14355	2.8
241.12242	11.6
242.12576	6.6
269.11765	8.3
270.12103	7.6
307.39819	1.9
327.15784	17.5
328.16144	17.7
341.28925	1.9
359.99747	1.7
428.64627	2.1
534.16095	2.2
534.28467	2.3
656.32758	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	656.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69622	0.4
55.05509	0.4
77.58857	0.3
79.05498	8.3
80.43748	0.3
81.07058	2.4
91.05484	4.9
92.18410	0.5
93.07030	1.4
95.04956	0.8
95.08610	0.5
101.24568	0.3
103.05508	0.3
105.03391	7.7
105.04477	0.4
105.07041	3.7
107.04953	100.0
107.08588	1.4
117.06969	0.5
119.08571	4.2
129.07001	1.9
131.04964	0.5
131.08517	2.5
134.09653	8.9
141.06979	2.0
143.08565	5.0
144.23875	0.3
149.05965	15.9
153.06969	0.4
155.08580	4.4
157.10156	0.6
159.08043	0.5
165.06966	0.6
167.08511	0.8
168.09380	0.6
169.10114	10.8
179.08551	3.0
180.09312	0.7
181.10133	2.1
182.10918	0.8
183.11682	17.5
191.08562	1.8
192.09351	1.5
193.10107	2.6
194.11763	71.1
195.11697	0.8
196.12520	2.4
205.10010	0.4
206.10895	7.1
209.13293	0.8
211.14810	29.0
221.13248	9.6
239.14258	4.5
281.15427	0.4
299.16476	0.8
459.11172	0.4
474.26331	4.2
493.17642	0.4
534.28558	6.9
563.02911	0.4
656.32129	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56335	1.4
59.80155	1.5
79.05484	7.7
82.46745	1.5
91.05435	2.7
92.10363	1.5
95.04932	1.8
105.03391	6.5
105.07013	3.2
107.04954	100.0
111.91092	1.5
119.08588	2.8
134.09637	10.8
149.05940	14.3
155.08554	7.4
169.10095	7.6
179.08620	1.7
183.11736	14.7
191.08643	1.8
194.11748	68.3
196.12398	2.6
206.10863	2.8
209.13293	1.8
211.14832	30.7
221.13261	7.9
239.14404	3.3
281.15320	1.5
561.90448	1.9
656.32190	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62325	0.4
53.03939	0.5
53.96203	0.5
68.98660	0.5
69.07087	0.6
78.30669	0.5
79.05492	9.0
79.40064	0.5
81.07039	1.0
91.05486	4.5
93.07048	2.4
95.04948	1.2
95.08630	0.7
105.03384	7.7
105.07036	4.0
105.34446	0.5
107.04955	100.0
107.08630	0.7
109.06499	0.6
119.08562	4.1
129.06989	1.1
131.08549	1.3
134.09637	10.2
141.06993	2.5
143.08536	4.7
149.05983	15.2
155.08545	5.1
157.10153	1.3
165.06956	0.8
167.08542	1.0
169.10143	11.8
171.11667	0.6
179.08549	4.1
180.09390	0.6
181.10130	2.8
182.10873	0.7
183.11681	21.7
183.13222	0.9
189.13345	0.6
191.08577	1.2
192.09308	1.0
193.10147	2.2
194.11768	77.4
195.11739	2.5
196.12524	2.3
206.10896	5.2
209.13246	2.4
211.14824	27.4
219.11575	1.0
221.13258	10.1
237.12863	0.9
239.14375	5.5
281.15375	0.9
299.16382	1.3
459.27679	0.8
464.99551	0.6
474.26398	5.4
534.28363	6.5
656.32159	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.05511	0.7
67.05489	0.8
69.07072	0.5
70.16543	0.4
77.03912	0.4
78.06199	0.4
79.05500	8.4
81.07050	2.0
83.08641	0.4
91.05486	5.1
93.07049	2.4
95.04980	0.9
95.08624	0.5
97.10189	0.5
105.03394	8.1
105.07036	4.0
107.04955	100.0
107.08590	1.8
117.07027	2.1
119.08576	5.0
125.09671	1.4
129.07011	2.9
131.04924	0.7
131.08559	3.0
133.06493	0.4
134.09650	9.7
135.08096	0.4
141.07013	2.0
142.07858	0.6
143.08554	4.5
145.10126	0.6
149.05980	17.6
155.08537	5.7
157.10130	1.5
159.08081	0.5
167.08537	0.5
168.09351	0.8
169.10104	10.8
169.11479	0.6
179.08524	3.3
180.09235	0.5
181.10193	1.9
182.10941	1.6
183.11685	19.8
191.08592	2.2
192.09383	1.6
193.10182	2.4
194.11763	68.9
195.11763	2.0
196.12514	3.3
197.13176	0.4
206.10922	6.5
209.13330	1.6
211.14809	27.9
215.14409	1.0
219.11775	0.5
221.13240	9.5
223.14931	0.7
239.14276	4.2
246.88333	0.4
299.16455	1.8
315.37079	0.4
441.26358	0.5
459.27271	5.4
474.26492	3.9
507.69586	0.4
534.28510	6.1
656.32141	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	5.2
59.18402	5.1
79.05502	7.9
91.18483	5.4
93.07025	9.5
95.08584	8.6
102.13469	5.5
105.07042	32.3
107.08590	23.5
109.06528	7.4
119.08578	29.3
123.08080	12.0
131.08571	13.8
131.46008	5.3
133.10133	7.6
135.08096	12.3
137.09558	8.6
141.06921	6.4
142.07736	6.4
143.08571	28.0
145.10150	11.3
147.08150	5.9
149.09598	12.9
155.08566	30.5
157.10095	12.3
159.07985	7.1
159.11641	7.2
161.09589	12.7
163.11157	6.8
167.13017	5.5
169.10146	26.9
171.08058	6.1
171.11708	11.6
179.08447	7.7
181.10120	59.9
183.11681	24.9
185.13217	6.3
187.11148	10.9
192.09244	7.1
193.10184	13.5
195.11732	29.2
197.13365	5.8
199.11192	30.7
201.12860	9.1
207.11650	22.0
209.13210	27.4
211.11230	19.7
213.12802	9.7
214.14975	5.7
221.13194	8.5
223.14821	11.0
227.14436	8.4
237.12749	29.9
237.16408	13.1
239.14098	9.7
246.14017	6.1
251.17867	41.3
253.15909	9.5
261.16455	22.7
264.15076	7.3
267.17426	24.8
269.19049	10.0
279.17389	100.0
297.18521	78.5
315.19592	10.4
339.19492	27.2
357.20633	53.0
399.21899	11.3
417.22638	68.8
477.25098	19.9
484.47418	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	656.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18398	1.1
56.88016	1.1
57.24426	1.1
57.61249	1.0
68.62730	1.2
79.05494	10.1
81.07075	1.6
91.05479	23.2
93.07018	1.3
95.04945	1.8
95.08625	1.7
105.07021	11.6
107.04952	99.8
107.08584	2.8
119.04930	3.1
119.08560	12.0
120.08087	11.9
121.10151	2.9
123.11715	1.7
131.08572	6.1
131.62914	1.4
133.06490	7.5
134.09628	8.4
135.08067	2.9
147.08078	8.6
149.05986	19.8
152.88054	1.2
157.10001	2.1
161.05963	1.3
161.09642	1.6
171.11711	1.6
172.65302	1.4
175.07530	2.5
180.10185	100.0
183.11688	2.1
193.08551	2.4
195.11722	1.3
210.11275	15.3
211.14690	1.4
214.23010	1.3
220.12480	1.8
263.14252	1.5
297.18491	1.9
374.45654	1.4
426.19080	1.6
479.37677	1.3
536.30536	2.4
596.32306	8.8
656.30487	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37872	1.4
62.47036	1.4
79.05482	6.7
90.77752	1.2
91.05458	1.8
95.04943	1.8
95.08598	1.5
101.42268	1.4
105.07019	6.8
107.04953	100.0
119.08549	2.4
120.08099	15.2
131.04924	1.6
143.08556	2.0
145.10144	2.6
149.05988	23.4
169.10011	1.8
180.10185	87.5
181.09969	1.4
193.10057	2.4
206.10930	1.9
221.13231	2.0
227.87146	1.5
355.91040	1.8
440.68558	2.1
536.29926	2.2
578.31042	1.7
596.31885	8.8
656.35004	10.0
666.23639	1.6
666.35547	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	656.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96600	0.4
61.49501	0.4
79.05480	8.3
92.17819	0.6
93.34917	0.5
95.04915	0.5
105.07036	2.5
107.04945	100.0
111.43044	0.6
119.08603	1.9
120.08091	10.2
131.04918	0.6
142.86896	0.5
149.05962	19.7
169.10257	0.6
169.80495	0.5
180.10173	73.0
180.19557	0.5
195.11763	1.1
333.76682	0.5
441.21664	0.5
596.32056	24.2
656.34503	4.7
677.20117	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	656.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	3.8
59.02636	2.8
66.85172	3.2
67.05514	3.2
69.69274	2.9
71.44830	4.0
74.10778	2.8
77.21603	2.7
77.35794	3.2
79.05483	7.0
81.03418	6.7
81.07050	14.1
83.04985	25.4
84.05304	5.1
91.05467	6.4
93.07069	24.0
95.04938	13.2
95.08584	15.3
96.34708	3.3
105.03409	20.6
105.07028	18.7
106.04193	4.0
107.08576	20.2
108.01231	3.7
109.10145	14.3
117.07031	4.4
119.08590	53.0
119.20961	3.4
121.10139	15.5
131.08603	5.9
133.10130	100.0
133.76924	3.9
135.08072	5.9
137.09552	3.6
143.08537	4.7
145.10144	54.8
147.11708	16.7
155.08652	3.9
157.10114	6.6
159.11713	7.5
161.09659	7.4
163.11179	17.6
169.10175	6.2
171.11673	7.1
173.13268	6.7
175.01500	7.3
181.02582	24.6
181.10114	6.1
183.11700	4.0
195.11755	12.6
197.13309	10.4
208.24461	3.3
209.13243	26.9
222.29842	3.3
223.14882	22.3
227.04694	7.1
237.16426	5.1
257.94687	3.4
265.19519	67.7
283.20654	6.5
313.12045	7.9
314.12369	8.2
325.21732	6.3
343.22592	3.9
385.23669	12.8
515.18829	4.0
656.32269	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94948	2.0
55.05506	5.2
56.19680	1.9
57.03436	3.3
66.23071	2.2
67.05503	18.7
67.64423	2.5
69.07060	4.3
69.30291	2.9
79.05493	35.3
81.03418	16.4
81.07066	19.8
82.46417	2.5
83.04968	12.6
83.08617	4.5
83.73602	2.3
90.84816	2.2
91.05477	63.5
93.07052	39.4
95.04945	11.1
95.08611	12.7
99.89152	2.4
104.32333	2.5
105.03403	2.6
105.07029	29.1
107.04961	35.4
107.08589	13.2
107.24843	2.5
109.06479	3.3
109.10147	2.7
117.07021	10.8
119.08576	27.2
121.06469	2.6
121.10134	2.4
123.08038	2.8
123.47054	3.0
128.06268	2.9
129.07007	5.5
131.08566	5.2
132.42885	2.3
133.10118	30.0
134.09607	3.2
134.79416	2.3
135.08052	5.8
143.08534	11.2
145.10170	3.4
147.11671	24.7
149.05978	5.0
149.09686	3.3
151.11177	2.7
161.09607	21.1
161.13242	3.9
161.41808	2.5
165.05984	2.5
167.08539	2.5
169.10262	2.7
171.11658	12.7
179.10684	6.0
183.11732	9.9
194.11786	18.0
197.00842	2.7
207.13724	3.6
211.14774	9.0
217.33621	2.7
221.13277	4.1
253.14366	28.2
281.17578	20.7
441.26321	5.0
459.27362	100.0
477.28549	20.5
587.25067	3.2
656.32037	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	4.5
69.50101	4.0
91.05474	4.5
93.07018	4.5
119.08578	8.3
121.06505	4.0
143.08623	4.8
157.10217	4.2
159.08060	5.0
159.11678	5.6
167.08508	4.4
169.10172	9.4
171.11664	4.5
182.10878	8.1
187.11140	5.1
197.13304	20.7
209.09605	4.3
211.11159	4.5
217.10083	8.8
221.13399	3.9
223.11067	4.4
232.12518	19.0
233.13399	5.0
247.14810	9.2
260.11911	6.2
265.15906	9.0
275.14191	9.6
293.15353	16.7
311.16415	7.2
375.15598	16.8
404.93784	4.3
417.16559	6.4
435.17712	20.7
469.69827	4.3
477.18695	33.0
495.19788	24.6
537.21033	81.0
597.23041	100.0
603.00830	7.2
657.24921	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
51.99431	0.4
53.03952	3.4
55.21338	0.5
65.23547	0.5
69.03407	0.7
77.03929	2.5
78.40754	0.6
81.07082	0.8
95.04958	11.5
105.03396	100.0
105.04523	5.1
105.07044	4.0
107.08570	1.1
108.58478	0.6
117.10682	0.6
119.08572	0.9
123.08079	0.6
131.04919	0.7
131.08554	1.2
133.06488	2.9
133.10144	1.2
135.08035	1.0
143.08531	1.2
145.06458	0.8
155.08475	0.7
157.10172	1.0
159.07994	1.0
161.09619	2.4
167.08519	0.8
169.10165	0.8
171.07965	0.8
172.33061	0.7
173.40230	0.7
177.09151	1.1
181.10158	2.8
185.09578	0.9
191.08392	0.6
193.10101	1.3
195.11696	3.5
197.09914	0.6
197.71524	0.6
199.11143	0.8
205.10187	0.8
207.11650	1.1
209.09631	2.5
209.13252	0.9
217.10252	1.3
218.10951	0.8
221.13196	0.8
223.11284	4.5
223.14818	1.1
225.12714	0.7
227.41412	0.6
232.12457	0.8
235.11172	1.2
235.14897	0.7
237.12888	0.8
237.16254	1.4
241.12222	1.0
247.14854	2.6
249.12747	1.1
250.13455	3.0
251.14378	1.3
255.71033	0.7
260.11865	1.4
263.14380	0.7
265.15955	6.6
275.14310	3.3
283.16739	0.7
293.15363	10.3
311.16519	5.1
353.17462	1.3
371.18729	2.4
405.73285	0.6
415.19009	3.0
431.21033	0.6
464.73190	0.7
475.20825	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	657.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14712	1.4
51.69568	1.3
56.57713	1.4
59.99433	1.6
60.15732	1.4
60.19976	1.4
88.79122	1.7
103.05466	32.0
105.03402	14.1
111.40578	1.7
131.04924	100.0
133.06483	8.9
177.00850	1.8
190.45155	1.7
193.79648	1.6
205.66046	2.1
278.61743	1.7
279.65695	1.6
327.15991	10.0
557.16278	23.3
616.17487	29.6
657.26611	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	657.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83047	2.1
52.02100	2.1
56.79260	2.5
56.90285	2.4
61.21762	2.6
62.09846	3.0
70.25093	2.4
78.44395	2.4
79.05489	3.5
81.07043	3.9
83.08606	3.6
91.05473	3.5
93.07007	3.5
95.04918	6.3
95.08620	4.5
105.03419	25.7
105.07041	16.2
107.08586	12.1
109.10140	4.2
119.08587	2.8
121.06470	2.7
121.10143	3.3
129.07018	4.8
131.08574	4.9
133.06508	4.2
133.10120	13.5
143.08586	11.7
145.06525	5.1
145.10104	6.0
147.08015	5.7
147.11687	5.0
149.05980	3.4
149.09644	3.5
155.08578	2.7
157.10138	12.2
159.08069	4.9
161.09566	3.3
165.07059	3.4
169.10101	6.5
171.11635	3.0
179.08479	4.0
181.10130	4.7
183.11684	16.6
185.09593	5.3
192.09311	5.2
193.10063	20.6
194.11023	4.8
195.08081	3.0
195.11661	21.7
197.09605	10.8
199.11180	9.9
205.10196	5.1
206.10846	6.0
207.11705	26.8
208.12486	5.8
209.09613	5.2
209.13278	10.8
211.11136	5.7
219.11703	17.0
220.09001	3.5
220.12502	25.6
221.09622	5.8
221.13280	14.5
223.11189	6.0
223.14854	11.3
225.12744	6.0
227.14673	2.8
232.12427	10.2
233.13136	5.3
234.10435	4.8
234.14047	32.3
235.11089	20.4
235.14723	26.7
237.12671	3.8
239.10608	3.5
239.14336	3.9
244.12474	12.8
247.11137	14.5
247.14799	21.1
249.16368	29.8
259.14743	19.8
262.13544	32.5
265.15933	13.4
267.17526	12.7
277.15863	100.0
295.16873	46.5
313.18115	11.8
337.17996	16.2
355.19031	18.5
373.20184	2.8
397.19934	3.3
415.21188	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	657.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45784	5.3
52.71224	7.2
78.26623	6.0
87.69632	5.6
92.18425	9.7
95.04965	11.8
105.03390	70.2
105.04481	7.4
105.07020	12.7
107.08573	13.7
119.02058	6.3
119.08611	12.2
123.08051	8.0
131.08585	14.0
133.10010	7.0
135.08043	10.6
141.07034	7.5
143.08603	23.0
145.10127	8.2
157.10089	31.5
159.08069	35.2
162.29185	7.4
169.10139	27.4
171.11765	9.1
179.08559	8.3
181.10088	26.2
183.11656	33.8
187.11220	7.7
193.10106	27.0
195.08208	8.7
195.11694	16.5
197.09637	30.0
197.13255	14.2
207.11710	33.3
209.51003	6.4
210.10481	11.8
211.11157	16.0
211.14836	8.3
219.11699	9.2
220.12520	14.2
221.13287	8.7
222.58260	6.5
223.11201	6.5
225.12709	27.8
225.16367	7.4
233.13190	9.4
234.14030	31.9
235.11308	10.3
235.14859	34.8
239.10655	6.4
245.69928	8.7
247.11131	9.6
249.16365	41.6
251.14278	10.7
253.15921	16.9
254.98936	8.2
259.14813	10.9
262.13641	15.8
267.17468	26.3
269.15359	8.8
277.15909	87.6
295.16882	100.0
313.17960	27.6
355.19061	52.8
373.20023	10.5
415.20923	25.8
452.13419	8.4
459.04303	7.4
557.16223	13.6
575.02533	7.5
616.17865	26.1
638.25348	7.2
657.32800	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	657.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
56.92086	3.0
60.83527	3.5
63.14615	3.4
67.05500	3.9
68.36221	2.9
76.60802	3.3
81.07029	3.9
91.05471	4.7
93.06989	3.6
93.32338	3.2
95.04972	14.7
95.08614	5.1
105.03391	100.0
105.07009	16.0
105.50536	4.1
109.06461	4.2
119.08590	15.6
121.10181	7.5
123.08026	3.8
133.06523	12.9
133.10123	23.1
135.07903	4.2
135.11615	3.6
142.20616	3.7
142.68735	3.5
145.10129	8.0
147.08029	19.2
157.10133	6.2
159.08020	5.5
161.09598	4.8
161.91190	3.5
167.08533	4.3
169.10144	5.4
175.07513	13.1
179.86987	3.8
181.10075	4.9
183.08086	3.6
185.09756	3.9
193.08505	4.0
193.10123	7.4
197.13416	3.5
206.10933	4.5
207.11856	5.4
209.13190	4.9
219.11693	4.3
220.12517	6.4
221.09509	4.6
221.13159	4.2
223.14958	3.2
225.12854	5.8
234.10257	3.5
234.14005	16.2
235.14883	4.3
237.12772	4.9
244.12561	6.6
247.11089	3.6
249.16313	23.9
251.14233	6.2
259.14822	5.8
262.13495	6.2
267.17462	14.6
277.15875	56.1
295.16959	33.2
313.17737	7.2
337.18033	6.5
355.18826	8.3
380.16879	3.6
415.21127	5.0
540.99200	3.7
609.55011	3.7
657.32892	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	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.0
68.58096	0.8
79.05507	1.1
81.07063	1.8
81.65662	0.9
83.41331	0.9
91.05475	88.0
93.07044	5.8
95.04976	1.1
95.08598	11.2
101.61451	1.1
103.05473	1.7
105.07018	7.9
107.04948	5.5
107.08611	6.1
109.06548	2.0
109.10154	3.7
119.04938	15.7
119.08570	14.0
121.06466	3.5
121.10144	5.5
123.08038	7.7
125.05965	1.0
129.07001	0.9
131.08569	3.8
133.10133	3.8
134.09634	32.8
134.10602	1.4
135.08034	1.5
135.11729	4.3
143.08559	3.9
145.10146	4.7
147.04453	1.0
147.08121	1.5
147.11639	1.4
149.06071	1.0
149.09642	1.9
155.08548	2.2
157.10143	5.8
159.11641	1.4
163.11182	2.3
169.10194	3.7
170.40474	0.8
171.11668	4.1
173.09601	1.2
180.09352	1.1
181.10088	1.5
183.11752	2.1
187.11224	1.6
194.11810	2.2
195.11742	5.3
197.13252	2.2
209.13315	4.5
210.11238	100.0
211.14842	1.0
213.12758	1.1
223.14717	0.9
225.16347	1.2
251.18019	5.0
269.19089	5.3
271.17014	7.5
279.17441	4.0
297.18518	7.0
311.20004	1.3
329.21237	1.3
351.38428	1.0
472.20798	1.1
486.09302	0.9
626.32806	1.4
658.35864	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.1
57.87511	1.4
62.20303	1.3
64.33626	1.4
67.05518	2.0
69.07072	1.5
70.06583	2.6
72.08145	9.4
79.05511	1.8
81.07076	1.6
86.09715	14.1
88.86049	1.4
91.04905	3.3
91.05476	96.8
93.07044	6.0
95.04954	8.9
95.08607	10.0
102.37196	1.4
105.07028	11.7
107.04949	6.3
107.08578	6.2
109.06496	2.0
109.10171	2.2
113.33535	1.5
115.08680	18.9
117.07050	2.8
119.04933	16.1
119.08593	15.2
120.08089	9.9
121.06483	1.9
121.10133	7.8
123.08096	2.7
123.11620	2.2
130.72148	1.6
131.08543	6.2
133.10112	7.1
134.09637	26.4
134.17438	1.4
135.08002	2.6
135.11717	3.2
143.08548	6.0
145.10109	7.0
146.19302	1.7
147.08044	2.4
149.09631	2.5
155.08504	2.4
157.10089	6.4
157.13321	7.1
159.11682	2.4
160.08858	1.6
160.43002	1.5
161.09692	1.7
168.99605	1.5
169.10097	3.1
171.11685	6.2
183.11632	2.8
185.12970	12.9
185.16455	8.2
195.11790	7.7
209.13280	7.0
210.11235	100.0
213.15974	7.5
217.13467	1.8
233.16544	1.7
239.17876	2.1
251.17883	3.5
261.16260	1.5
262.15472	3.4
269.19083	6.9
271.16949	6.6
297.18719	5.2
311.20065	2.1
545.91949	1.7
626.32605	2.0
658.35394	36.1
658.43170	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	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59024	2.3
62.06077	2.8
79.12382	2.2
80.60189	2.1
85.71998	2.4
91.05476	91.9
93.07034	3.5
95.08569	10.5
101.55756	2.2
103.05512	2.9
105.07001	9.9
107.08585	3.3
119.04942	12.4
119.08574	13.5
119.85276	2.4
121.10128	5.7
123.08064	12.5
131.04918	4.3
131.08606	2.8
133.10132	3.8
134.09665	25.0
135.11697	2.8
138.68422	2.3
143.52370	2.4
145.10127	10.3
155.08543	3.4
157.10089	3.7
159.11665	4.1
161.67819	2.9
164.74492	2.6
169.10081	3.9
195.11681	3.6
209.13321	3.4
210.11244	100.0
214.69447	2.4
269.19073	3.8
271.16858	5.8
279.17551	2.8
297.18488	3.5
313.36169	2.5
658.35791	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
58.12974	1.0
69.44059	0.8
81.07066	2.0
91.05476	80.8
93.07033	7.5
93.57145	1.1
95.04341	0.9
95.08608	11.6
105.07045	9.6
107.08590	6.0
109.06525	1.4
109.10157	1.4
117.07056	1.2
119.04930	16.7
119.08596	14.4
121.06511	1.7
121.10136	6.5
123.08060	9.1
131.08565	2.2
133.10104	2.4
134.09650	25.1
135.08063	1.4
135.11679	1.9
142.07765	1.2
143.08536	2.0
145.10130	6.1
147.08040	1.9
149.09612	1.4
151.11264	1.9
155.08478	1.3
157.10162	6.3
159.11691	1.7
161.09587	2.1
169.10121	1.3
171.11714	1.5
175.11276	1.1
181.10115	1.7
181.12050	1.0
183.11766	4.1
185.13338	1.3
195.11681	4.2
209.13290	5.0
210.11240	100.0
213.12793	1.4
239.18076	1.2
251.17966	6.3
269.19037	2.4
271.16901	9.1
279.17526	4.2
289.23102	1.1
297.18472	5.8
311.19928	1.5
389.23212	1.3
626.33270	1.9
640.34235	1.1
658.35815	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78316	1.5
58.10960	1.4
62.06093	2.4
63.40771	1.3
66.73734	1.7
67.05531	1.5
78.57610	1.7
81.07056	3.8
86.39615	1.9
87.75899	2.1
91.05477	92.2
91.96877	1.7
93.07047	2.1
95.04942	2.4
95.08582	13.1
97.10133	1.5
97.21056	1.7
103.05484	1.7
105.07031	12.4
107.08608	2.9
119.04919	19.7
119.08571	15.9
121.10120	6.8
123.08047	13.2
131.08565	3.1
133.10129	4.1
134.09654	28.7
135.11688	4.1
145.10149	7.3
147.08043	2.2
147.11699	1.6
155.08537	3.8
157.10098	7.0
159.11650	2.8
161.09613	2.3
163.11218	2.1
169.10098	2.0
171.11646	3.1
173.09586	2.6
173.81364	1.6
181.08568	2.0
183.11678	2.8
185.13300	2.0
195.11691	7.5
209.13235	4.0
210.11234	100.0
213.12732	2.4
251.17935	7.1
259.15915	2.0
269.19031	2.8
271.16925	10.8
297.18542	7.7
658.35779	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49993	1.4
51.72469	1.7
55.40466	1.5
74.42471	1.6
77.29588	1.6
81.07076	3.0
83.47401	1.6
91.05482	99.6
93.07071	2.4
95.04952	2.4
95.08600	14.1
103.05434	2.1
103.34750	2.0
103.52794	1.5
105.07037	10.8
107.04959	2.1
107.08585	10.5
109.06458	2.4
109.10157	2.1
110.11371	1.8
117.07002	2.6
119.04922	17.9
119.08590	17.1
121.06495	2.7
121.10117	6.9
123.08062	11.5
133.10130	3.0
134.09660	24.8
135.08086	2.2
135.11690	3.7
143.08556	3.7
145.10159	7.9
147.07973	2.4
149.09624	3.3
154.26157	1.6
157.10126	9.9
159.11620	2.4
171.11678	2.1
173.09680	2.2
181.54021	1.6
183.11667	2.9
185.13324	2.5
195.11684	6.8
209.13248	3.6
210.11255	100.0
251.17943	7.7
269.18967	2.5
271.16907	8.4
279.17529	2.3
282.22458	2.2
297.18506	4.3
347.48688	1.9
358.83655	2.7
658.35852	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89392	0.6
57.07053	0.8
60.56154	0.8
65.03933	0.8
67.05500	1.8
69.07084	1.1
79.05476	1.8
81.07044	5.0
91.05479	98.6
93.07024	4.0
93.59435	0.9
95.04961	1.6
95.08596	12.0
103.05460	1.6
105.07040	12.1
107.08598	6.1
109.06492	1.5
109.10151	3.5
119.04933	19.5
119.08579	14.2
121.06496	1.8
121.10150	4.3
123.08064	11.7
123.11683	1.6
129.07001	1.3
131.08536	4.8
133.10109	5.0
134.09656	27.4
135.08002	1.2
135.11694	5.6
137.09578	1.0
143.08539	2.0
145.10149	6.3
147.08063	3.2
149.09579	3.2
151.11041	1.4
155.08569	1.3
157.10146	7.2
159.11694	1.7
161.09612	1.4
163.11194	3.6
164.10649	1.2
165.06966	1.0
169.10143	1.9
171.11636	1.7
173.09662	1.3
173.13158	1.0
175.11171	1.4
181.10141	1.6
181.12190	1.1
183.11679	4.5
185.13354	1.4
187.11168	0.8
187.14615	0.8
189.87506	0.9
195.11694	5.2
197.13310	0.9
199.11223	0.8
207.13748	1.0
209.13235	5.6
210.11243	100.0
211.14714	0.9
213.12685	1.6
227.14487	0.8
236.15654	0.8
251.17937	5.7
269.18961	5.3
271.16824	7.5
279.17450	3.8
297.18478	5.8
311.20041	1.0
312.60049	0.9
329.20807	1.6
357.20828	0.8
371.22379	1.1
375.14349	1.0
379.23608	0.9
626.33142	0.9
640.34076	1.5
658.35779	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93477	1.2
55.05524	1.4
65.90131	1.3
67.08855	1.1
68.96349	1.3
69.48785	1.3
70.06598	9.4
71.49525	1.1
72.08154	10.3
86.09711	15.8
88.55651	1.4
91.05476	74.7
92.18375	1.6
93.07028	5.3
95.04952	2.9
95.08579	6.7
103.05489	1.8
105.07053	9.2
107.04940	2.6
107.08600	5.5
109.06523	2.0
109.10102	1.5
115.08681	20.4
115.45604	1.3
119.04945	15.4
119.08572	13.6
120.08113	14.9
121.10134	7.1
123.08063	5.7
123.11655	1.8
123.67629	1.3
130.44371	1.4
131.08556	2.9
133.10129	6.7
134.09662	26.0
135.08049	1.7
135.11707	2.6
142.17303	1.4
143.08516	2.1
145.10146	1.7
147.08025	1.5
149.09624	1.8
155.08528	2.3
157.10107	6.2
157.13364	11.6
159.11661	1.9
164.39040	1.3
167.08517	1.4
168.11287	1.8
169.10062	1.8
171.11682	2.6
183.11711	1.8
185.12843	14.3
185.16469	9.7
195.11777	6.4
196.12469	2.8
197.13196	1.4
209.13272	3.2
210.11238	100.0
213.12619	2.1
213.15956	3.3
219.11626	1.7
233.16559	5.8
251.17917	6.4
254.24319	1.4
261.15973	2.2
262.15588	5.2
269.18948	3.1
271.16977	2.5
279.17459	1.3
284.19681	2.2
297.18506	6.3
311.20050	1.7
329.21115	1.7
454.98676	1.4
542.59509	1.4
626.32587	1.7
636.90662	1.6
641.35297	1.4
658.35046	30.1
658.42908	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42482	0.9
67.05507	1.1
79.05476	2.4
81.03419	2.8
81.07050	13.4
85.02892	1.4
91.05466	7.3
93.07016	4.5
95.04964	2.2
95.08601	10.5
105.07027	7.1
107.04935	6.4
107.08590	24.9
109.06502	1.3
109.10157	7.4
117.07014	1.3
119.04933	5.6
119.08579	6.3
121.10135	4.7
123.11668	2.4
131.08546	1.8
133.06482	6.8
133.10146	8.9
135.08043	100.0
135.11665	1.8
137.06009	1.2
143.08617	1.3
145.06439	8.5
145.10063	8.6
147.11700	2.4
149.09619	1.7
157.10138	4.2
159.08038	1.8
159.11702	2.5
161.09572	11.6
161.13211	1.8
163.11159	15.8
171.11681	1.4
175.11122	1.5
176.76286	1.5
179.10635	2.0
180.10242	2.7
181.10294	1.7
183.11607	2.3
185.13210	2.2
185.85793	1.2
195.11707	1.6
197.13277	1.4
209.13448	1.2
223.14934	1.9
225.16315	1.5
236.70441	1.1
255.21085	4.4
265.19501	5.9
283.20551	44.6
285.22089	2.3
301.21500	10.7
306.03317	1.1
415.20959	1.9
581.33246	10.8
648.04736	1.3
658.32013	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	659.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86518	5.9
56.85606	5.5
57.03426	6.5
57.95430	6.7
58.53165	6.6
59.18248	6.6
71.01370	11.0
73.02891	14.4
73.67185	6.8
75.22869	5.9
95.04994	6.9
95.30188	6.7
105.03383	100.0
105.07016	13.9
121.10065	8.8
133.06502	14.8
149.09584	12.8
171.11589	10.8
181.10063	10.9
195.11690	11.0
197.09608	12.9
207.08127	14.1
211.11211	12.8
221.13318	9.2
235.14876	8.5
253.15907	13.1
255.13872	9.8
255.17410	8.5
263.14297	9.4
265.15948	9.0
281.15341	8.2
299.16507	10.3
309.14899	86.2
317.17212	8.3
327.15854	97.2
345.16974	42.7
401.48367	8.4
659.26776	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	659.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59542	1.1
53.03941	1.5
57.03452	11.5
67.05485	2.0
69.03430	9.5
72.83113	1.2
73.02921	21.2
74.58182	1.5
77.03928	1.7
77.48712	1.5
79.05505	5.3
81.07037	3.4
85.02901	3.1
91.05482	7.7
93.07044	11.5
95.04967	12.5
97.02893	6.9
105.03397	100.0
105.04493	3.3
105.07041	18.1
107.04964	2.3
107.08584	6.6
109.06505	2.8
109.10175	1.3
112.74728	1.5
115.03937	3.0
117.07052	2.0
119.04884	1.4
119.08579	6.6
121.06496	10.6
121.10115	11.5
123.04462	2.3
123.08062	8.1
129.06975	2.2
131.08591	3.4
133.06517	13.1
133.10136	7.2
135.08069	7.5
137.09624	7.2
143.08559	3.1
145.06490	1.9
145.10098	3.3
147.08044	6.8
149.05969	6.6
149.09622	12.1
151.07439	4.1
155.14171	1.7
157.10135	6.7
159.08043	7.1
159.11728	2.1
161.05948	1.8
161.09593	5.5
163.07475	3.2
163.11180	1.8
164.50903	1.6
165.05530	1.8
165.06927	1.7
167.07181	1.8
167.08672	1.6
169.10078	3.1
171.08073	3.2
171.11771	2.2
173.09682	7.0
175.07570	5.5
175.11086	2.2
177.09137	5.3
179.08537	1.7
181.10112	5.8
183.11696	5.2
185.09532	2.8
187.11159	1.6
189.09090	2.0
191.07106	1.8
193.10191	2.0
195.11736	7.1
197.09683	7.5
199.11110	3.0
201.09167	2.2
206.10988	2.9
207.11665	2.4
209.09631	1.7
209.13229	1.8
211.11211	8.0
213.12766	2.2
218.79243	1.7
219.06523	2.1
220.12421	2.4
221.02582	1.7
221.13329	2.1
223.11211	3.2
224.11989	1.6
225.09090	2.4
225.12794	1.9
227.10654	1.7
234.32303	1.4
235.14746	3.1
237.12787	5.1
239.14284	2.8
241.12294	5.1
241.16068	1.5
253.15840	7.2
255.13835	1.9
259.13339	1.6
263.14362	7.2
266.12778	1.7
269.11810	2.3
269.14920	2.1
281.15305	12.7
283.17084	1.5
287.12573	1.5
291.13785	3.3
299.16440	5.2
309.14856	13.6
311.16391	1.6
327.15930	27.5
345.17004	23.3
387.17966	5.6
405.18988	2.2
449.19629	2.2
459.20279	1.6
477.21176	1.6
509.21640	8.6
659.26782	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	659.3579
Annotation	Dianthin B
Peak:m/z	Relative Intensity
52.03238	1.2
66.59303	1.2
72.52177	1.6
97.06519	2.5
99.07545	2.0
99.08083	12.5
105.03341	1.9
109.10160	2.7
112.43948	1.5
119.79136	1.6
151.11195	2.3
179.07066	3.6
179.10658	2.4
187.07661	2.4
201.09192	2.0
203.07149	2.1
205.08701	8.1
215.92679	1.6
217.12401	2.3
219.10153	7.9
223.30829	1.6
229.12262	3.3
231.10210	13.4
232.10950	2.9
233.11797	10.0
241.12338	2.3
243.10136	7.5
244.10924	2.5
245.11700	41.0
245.15607	1.9
259.09641	2.1
259.13394	10.4
269.11676	1.9
271.13321	8.3
283.17007	3.2
293.15692	1.7
297.15005	6.6
311.16397	7.1
312.17285	2.3
313.18323	2.5
315.16028	1.9
329.17532	3.9
330.18304	7.4
331.19107	5.9
355.19220	6.0
641.33899	2.9
659.35883	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	659.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45023	0.5
59.05035	0.6
63.11460	0.5
70.61938	0.6
78.83163	0.7
83.05008	0.9
83.08607	0.9
96.39369	0.7
99.08087	2.7
105.03437	0.7
109.10134	4.5
137.09613	4.0
151.11125	4.6
161.05945	0.8
161.09665	0.8
163.07463	0.6
179.07011	13.9
179.10696	3.1
180.58604	0.7
184.15419	0.7
187.07591	0.9
187.11143	1.2
189.05544	0.9
191.07002	1.4
191.74518	0.6
201.12677	1.1
203.07051	1.2
203.10693	1.4
205.08716	1.0
209.09537	0.7
215.10680	3.9
217.08868	1.0
217.12291	1.4
219.10219	6.4
223.11186	0.9
225.12564	0.8
227.10777	3.0
227.14255	0.8
229.12280	3.9
231.10138	5.6
232.10942	3.5
233.11717	9.4
241.12280	1.6
243.10269	1.3
245.11713	8.9
245.15488	0.8
251.10692	1.2
253.12376	2.6
255.10210	1.2
257.11755	1.5
259.13385	4.5
268.10907	0.8
269.11765	2.6
269.15305	1.5
271.13449	1.1
283.16901	1.2
285.14911	1.1
287.12845	1.0
287.16443	2.6
289.14493	1.0
297.14929	3.9
311.16284	10.3
312.17294	3.9
313.18124	1.2
320.87595	0.7
329.17429	1.2
331.19180	3.6
341.17465	4.5
355.19077	3.3
395.22235	3.9
489.22952	3.2
507.24158	1.2
641.34363	4.3
659.35754	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	659.3579
Annotation	Dianthin B
Peak:m/z	Relative Intensity
51.56656	0.9
57.91192	0.9
65.78224	0.9
72.14388	1.1
83.08650	0.9
83.33043	0.9
94.38374	0.9
95.08569	1.4
97.06525	1.5
99.08102	2.1
109.10182	2.3
115.66537	1.0
137.02205	1.3
137.09630	1.2
147.08173	1.1
151.11217	2.2
163.07526	1.7
168.83430	1.0
171.11690	2.0
177.05545	1.0
179.07022	21.2
179.08498	1.2
179.10690	2.4
187.11153	2.3
191.07056	2.0
203.07048	1.1
203.10587	1.4
205.08566	1.3
215.10744	3.9
217.08736	1.1
217.12540	1.1
219.10274	4.3
227.10635	2.3
229.12271	1.8
231.10233	4.6
232.11002	1.3
233.11678	12.4
241.12106	1.6
243.10268	4.2
244.10939	5.7
245.11707	22.1
251.10678	1.4
259.13348	4.4
269.11780	4.5
269.15317	1.2
271.13327	1.6
273.18585	1.5
274.15515	1.1
285.78336	1.2
287.12805	1.6
289.14429	4.0
297.14944	1.6
311.16449	4.1
312.17392	1.7
315.15912	1.4
329.17679	2.1
330.18402	2.1
331.19028	10.9
341.17599	1.5
355.19107	4.8
425.93762	1.2
659.35779	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	659.3582
Annotation	Dianthin B
Peak:m/z	Relative Intensity
54.53867	0.5
55.52684	0.6
59.09775	0.8
71.92538	0.6
73.35226	0.7
83.04958	0.8
92.46231	0.7
99.08080	1.4
109.10160	1.4
133.10107	6.0
137.09598	1.3
147.08015	1.0
161.09660	0.7
164.52588	0.6
165.09062	1.1
179.07018	57.1
187.07585	0.8
191.07016	0.8
193.39381	0.8
199.11137	0.8
203.10646	0.8
205.08624	0.9
209.09634	0.8
219.10187	1.0
223.11263	0.8
227.10698	1.2
229.12265	4.8
233.09666	0.9
233.11835	1.6
241.12209	1.7
245.11700	5.5
251.10658	3.0
253.12282	1.8
268.10736	0.9
269.11865	1.4
271.13281	1.5
279.13763	1.3
293.15411	0.9
294.16217	1.3
295.13361	0.8
295.16962	1.1
297.14783	2.6
311.16473	3.6
313.17917	1.0
329.17502	0.9
331.19141	0.8
341.17493	9.4
355.19012	10.9
395.22375	4.0
409.23825	1.3
584.13184	1.0
617.31219	1.3
659.35706	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	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.7
55.06588	2.7
57.03429	22.1
57.71720	3.3
61.02637	3.8
61.02932	84.2
67.05503	47.7
69.03431	35.4
69.07053	7.2
73.02906	23.5
79.05479	20.6
81.03406	22.1
81.07062	47.1
83.04957	3.7
83.08620	5.2
85.02905	100.0
91.03955	55.4
91.05463	13.9
93.07019	36.2
95.04948	6.3
95.08616	42.6
95.27131	3.5
97.02892	81.8
99.04449	17.4
101.02355	7.1
103.03943	8.2
105.03405	8.1
105.07038	17.3
107.08604	28.3
109.02865	7.2
109.10136	21.7
115.03927	4.3
119.08605	12.6
121.10110	20.5
123.11675	5.2
127.03934	42.1
131.08565	4.7
133.10124	14.6
135.11626	7.7
145.04944	14.0
145.10139	6.0
149.13289	6.5
159.11513	4.9
163.05994	5.2
171.11847	4.6
183.06577	8.3
200.76453	3.8
243.06093	3.4
261.22003	14.6
264.59952	4.0
280.93420	3.1
335.25870	71.4
353.26898	5.2
418.13928	3.5
443.28171	6.0
461.28854	14.3
479.30054	24.4
497.31088	7.8
637.40143	4.4
659.36389	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44048	1.6
56.96550	2.7
90.61453	1.7
92.17903	2.4
137.58524	1.7
199.06342	3.8
213.08055	1.8
217.07465	2.2
231.09085	2.8
237.08076	3.9
239.09622	2.4
240.66209	1.9
249.07903	6.1
251.09470	14.8
255.09010	29.2
267.09045	49.7
269.10596	64.6
273.10172	8.6
279.09097	1.9
285.10089	45.8
287.11615	15.2
291.12973	2.2
331.15808	18.9
349.16904	28.7
351.64780	1.7
367.17902	18.9
499.24017	2.2
561.30988	3.6
659.38391	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	660.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10077	1.0
57.72002	1.0
60.04543	2.1
63.16248	1.0
70.06579	10.1
70.25262	1.2
92.17904	1.4
107.04954	13.5
119.04941	6.1
123.04401	5.7
126.60438	1.2
147.04402	5.9
149.06061	1.6
151.07478	1.5
163.03873	1.4
173.05988	5.4
177.05493	4.9
177.09082	2.5
179.07150	1.5
185.06010	2.3
189.09135	1.1
190.08627	2.7
191.07014	5.4
192.07793	6.1
193.08611	2.5
205.08568	34.5
211.45587	1.2
214.64661	1.2
215.07140	1.2
217.08560	8.0
222.11148	1.3
235.09608	1.3
245.52757	1.2
251.10683	1.7
279.10129	2.3
281.11633	1.9
283.09781	1.6
283.13168	1.3
285.10959	1.6
291.09998	1.7
295.09555	1.4
297.11157	1.3
309.11111	8.1
311.12744	28.6
313.10843	1.5
321.11221	2.0
326.13901	2.5
338.13849	2.3
339.12177	16.0
340.12164	1.5
354.13394	6.1
356.14899	100.0
389.40765	1.2
474.15588	1.4
492.16235	1.9
506.17874	4.3
563.99390	1.3
660.24573	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	9.5
64.24373	1.2
70.06583	9.0
76.91184	1.8
78.36855	1.4
80.50566	1.4
89.07111	1.4
92.62891	1.4
101.29819	1.5
107.04923	10.6
119.04948	7.0
123.04446	2.8
136.07576	6.0
137.06007	1.7
147.04405	8.1
153.05476	2.2
165.05524	7.4
177.05524	6.5
187.07487	1.7
190.08672	1.7
191.07024	2.6
192.07791	5.2
193.08618	3.2
202.08643	1.9
217.08737	1.9
220.52032	1.6
233.08047	1.9
241.21907	1.5
257.08444	1.5
265.08713	2.6
271.06021	17.1
282.11343	16.5
297.11115	9.7
308.09189	12.4
314.13885	9.5
327.23718	1.4
340.11810	41.7
354.13412	2.1
355.11719	5.6
363.72922	1.7
423.10757	3.0
492.16669	3.2
620.61865	1.6
660.24384	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	660.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49405	0.5
54.65199	0.5
60.04531	6.8
60.52703	0.5
61.89785	0.6
63.39289	0.5
70.06593	7.6
83.73514	0.6
107.04956	8.1
119.04932	3.7
121.02884	1.0
122.06023	2.1
123.04428	2.9
131.04985	0.7
136.07603	3.3
145.06496	0.7
147.04388	7.9
149.05959	0.7
151.07471	0.7
152.64302	0.5
153.05466	3.9
157.06523	0.7
159.08110	0.6
161.06010	1.4
163.03918	0.8
164.33080	0.6
165.05437	5.2
166.52693	0.8
175.07495	0.6
177.05455	6.1
177.09128	0.8
179.07002	0.7
181.04953	0.6
187.07611	2.5
190.08673	0.9
191.07037	3.0
192.07823	5.0
193.08606	4.5
201.05484	1.3
202.08672	3.5
205.08635	3.0
215.07076	2.5
224.43488	0.6
233.08064	1.3
245.08029	0.8
253.08687	0.8
255.10173	1.2
257.07999	2.2
265.08444	0.7
269.08066	1.4
271.05984	14.8
271.09222	1.4
279.10367	0.7
281.08102	2.9
282.11237	15.7
283.06100	0.9
283.09344	0.9
285.11258	2.3
295.09586	1.2
297.07874	1.1
297.11078	10.1
306.11432	0.7
307.09692	0.6
308.09103	9.3
311.12854	2.6
314.13840	7.3
317.10327	0.7
322.10941	2.5
323.09100	3.0
328.11838	0.7
329.10205	0.7
335.09106	0.7
339.12097	0.8
340.11801	34.0
354.13373	3.8
355.11887	2.6
367.11807	0.8
405.09793	0.6
423.10751	4.8
440.68890	0.7
492.16437	6.8
594.17657	0.7
660.24353	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	660.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31654	1.3
58.54522	1.2
60.94320	1.2
62.00864	1.3
80.79147	1.3
87.77673	1.5
91.05476	100.0
95.04944	1.4
104.31549	1.4
105.07018	6.2
107.04954	3.5
107.08597	2.6
109.10163	1.6
111.81200	1.4
119.04922	15.2
119.08563	7.1
129.07054	1.5
133.06508	2.1
133.10159	2.2
134.09654	54.7
135.08057	2.0
137.09581	1.6
145.10121	1.7
155.08516	5.7
157.10126	3.1
167.08601	2.4
169.10141	7.5
179.08655	1.8
183.11699	8.1
192.09258	2.2
193.10178	2.4
194.11768	1.8
195.11794	6.8
197.09563	3.2
197.13205	9.5
207.11684	16.3
209.13138	2.2
210.11243	94.4
211.14780	3.3
211.50528	1.6
223.14769	1.6
225.12756	15.1
225.16225	1.8
235.11295	2.6
237.12764	1.8
238.09831	1.9
253.12166	13.9
276.18979	1.5
285.18387	1.5
295.16910	1.8
313.14230	1.5
313.17935	6.0
331.18930	2.4
540.25909	2.9
582.26855	8.2
600.28131	29.5
652.06805	1.5
660.30988	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70822	0.7
55.81016	1.0
58.54184	0.8
67.90304	0.9
91.05476	80.6
95.08606	1.1
99.08135	0.8
103.05471	1.6
105.07025	3.4
107.04968	1.6
119.04933	13.8
119.08568	7.2
121.06452	1.0
123.08077	0.9
133.06544	1.3
133.10126	1.0
134.09653	20.2
137.09636	2.2
157.10091	1.5
159.11684	1.1
169.10089	1.8
183.10178	3.7
183.11708	2.0
194.11839	1.4
209.13367	1.6
210.11244	100.0
227.81825	0.9
252.12152	1.0
271.16986	3.4
313.17874	1.2
339.82294	0.9
382.00070	1.0
451.23364	1.0
464.24329	1.2
475.21048	1.1
524.26477	4.6
568.69769	0.9
660.33704	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.1
62.16080	0.6
65.03953	0.8
67.05508	1.8
69.07070	1.0
79.05502	2.5
81.07063	3.3
91.05482	82.2
93.07053	4.1
95.04964	3.2
95.08615	4.9
97.10219	0.7
103.05485	1.6
105.07020	10.7
107.04984	2.8
107.08608	6.9
109.06538	1.4
109.10167	5.3
114.03697	0.7
115.05424	0.7
117.07047	1.0
119.04944	15.6
119.08574	12.7
121.06551	1.1
121.10160	5.7
123.11740	1.2
129.07018	1.1
131.08588	5.9
133.10135	5.6
134.09651	26.4
134.10619	1.1
135.08093	1.4
135.11642	5.2
137.09671	0.9
137.13286	1.0
142.07817	0.8
143.08548	5.1
145.06522	0.9
145.10156	5.6
145.98865	0.8
147.08049	1.0
147.11737	4.7
149.09662	1.0
155.08582	3.2
157.10097	6.0
159.11752	3.4
161.09700	1.2
161.13272	1.2
164.10809	0.8
167.08540	0.7
169.10132	5.0
170.10953	1.0
171.11726	4.7
173.13332	1.0
181.10223	0.9
183.11772	7.4
185.13339	3.9
187.11295	1.4
194.11852	1.2
195.11783	2.8
197.13277	10.2
201.12828	1.0
207.11789	3.3
208.12619	1.0
209.13297	1.2
210.11252	100.0
211.14877	3.1
221.13394	0.9
223.14854	1.8
225.12785	1.4
237.16415	1.2
239.14496	0.7
248.15585	1.3
253.19533	6.8
255.17554	3.1
263.18100	3.1
271.20639	2.8
273.18677	1.6
281.18924	7.1
282.29199	0.8
295.20752	1.1
299.20160	1.4
313.21738	1.6
375.39157	0.8
587.22699	0.7
627.29486	0.9
642.36511	1.6
660.37598	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67192	0.7
62.06088	1.7
66.71739	0.7
67.05495	1.3
69.07072	1.6
70.04326	0.7
71.37389	0.7
74.07691	0.9
79.05511	1.2
79.32898	0.7
81.07047	1.7
81.40681	0.8
83.59675	0.8
85.06507	1.1
91.05478	80.7
93.07042	4.3
95.04996	3.7
95.08617	4.6
103.05466	1.8
105.07026	10.0
107.08600	5.9
109.06535	1.4
109.10144	5.9
117.06980	1.6
119.04935	15.0
119.08580	12.2
121.06506	1.2
121.10144	6.3
123.08068	0.9
123.11671	1.8
129.07045	0.9
131.08539	5.9
133.10107	6.6
134.09644	22.2
135.08038	1.9
135.11703	5.5
143.08580	3.5
145.06505	1.5
145.10173	5.2
147.11716	5.8
149.09625	1.0
155.08598	4.2
157.10123	6.0
159.11655	1.6
161.09679	1.3
161.13254	1.6
169.10156	5.6
171.11716	4.3
173.09639	1.5
173.13309	1.3
178.50514	0.7
181.10175	1.1
183.11760	5.3
185.13315	3.4
187.11320	1.2
187.14948	1.1
195.11708	2.0
197.13234	9.3
199.11151	0.9
201.12859	1.0
207.11768	1.4
208.12462	1.1
209.13319	3.5
210.11241	100.0
211.14830	3.6
212.20819	0.8
215.14383	0.9
223.14789	1.5
225.12675	1.0
237.16479	1.0
241.15987	1.0
248.15678	1.6
251.18085	1.2
252.12312	1.1
253.19460	7.7
255.17351	3.3
263.18042	4.1
271.20630	1.8
273.18631	1.6
281.18777	6.9
299.20197	3.9
313.21725	3.8
363.14236	1.0
403.13275	0.8
438.81525	1.1
610.33142	1.2
642.37402	1.7
657.23236	0.8
660.37543	43.3
673.41400	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	660.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.4
67.05482	1.1
76.89968	0.9
79.05502	2.0
81.07056	4.0
81.64040	1.3
90.67849	1.1
91.05482	79.8
93.07053	1.7
95.04960	2.1
95.08616	4.7
103.05492	2.5
105.07031	10.2
107.08591	6.8
109.10163	6.0
112.03099	1.0
119.04948	14.9
119.08566	16.3
121.10136	5.8
123.11779	1.4
131.08556	6.2
133.10136	6.1
134.09653	24.0
135.08038	1.3
135.11693	4.9
143.08562	5.9
145.10121	6.6
147.11705	4.5
155.08531	2.7
157.10141	4.9
159.11711	4.5
161.09668	1.8
169.10120	6.9
171.11696	2.4
173.13309	1.2
182.10802	1.3
183.11761	4.9
185.13290	1.5
195.11713	1.7
197.13211	8.9
209.13258	1.8
210.11249	100.0
211.14812	2.4
217.71889	1.1
221.13560	1.3
223.14873	1.3
253.19598	8.1
255.17363	2.6
263.18002	5.1
271.20465	1.3
273.18518	4.0
277.06381	1.1
281.19119	9.1
299.20041	2.0
313.21576	1.8
315.19489	1.4
355.22778	1.4
405.87997	1.3
559.39838	1.2
581.50049	1.2
642.36414	4.9
660.37469	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	1.6
69.07064	1.1
79.05533	1.7
81.07073	2.4
91.05477	89.5
92.17956	1.6
93.07027	2.6
95.04951	2.0
95.08601	4.4
103.05428	1.2
105.07014	11.4
107.08578	7.8
109.10165	8.3
110.89389	1.1
110.90202	1.2
115.11337	1.2
117.06945	1.3
119.04922	16.9
119.08569	14.3
121.10150	7.7
123.08051	1.8
131.08559	7.0
133.10130	5.5
134.09651	22.7
135.07965	4.0
135.11668	5.9
143.08585	5.2
145.10101	5.3
147.08034	1.2
147.11694	5.2
153.45993	1.2
155.08504	4.7
157.10132	6.4
157.26408	1.1
159.11618	4.9
168.09335	1.2
169.10071	4.2
171.11757	2.3
174.90788	1.0
181.10141	1.5
182.10817	1.4
183.11700	8.1
185.13298	2.4
194.11862	1.4
195.11858	1.6
197.13193	8.9
206.10904	1.2
209.13367	1.3
210.11234	100.0
211.14827	1.9
216.72853	1.1
223.14799	2.0
225.86792	0.9
251.18005	1.4
253.19345	8.1
255.17439	4.5
263.18042	1.5
271.20624	1.5
273.18417	2.3
281.19089	7.9
295.20572	1.3
299.19818	2.2
313.21536	1.3
341.20837	1.7
384.77222	1.3
642.35870	2.7
660.37512	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49604	1.1
79.05491	1.7
79.82716	1.1
80.65680	1.1
81.07050	5.4
91.05476	86.3
93.07030	2.3
95.04906	2.2
95.08585	2.0
95.31142	1.2
100.30377	1.1
103.05479	2.1
104.94273	1.1
105.07024	11.1
107.04961	2.7
107.08593	7.6
109.10146	5.0
117.07021	2.2
119.04906	13.5
119.08559	15.0
121.10123	7.4
123.11666	2.0
129.06920	1.3
131.08562	2.4
133.10117	7.2
134.09636	25.8
135.11679	5.5
143.08524	2.5
145.10126	7.6
147.08034	1.4
147.11685	5.3
155.08585	1.4
157.10121	5.8
159.11732	2.4
161.09663	1.8
169.10120	6.1
171.11693	5.0
173.09593	1.6
181.10144	1.6
183.11679	6.2
185.13222	2.2
187.11240	1.6
187.14877	1.1
194.11623	2.1
195.11694	1.4
197.13219	7.2
201.12775	1.5
210.11244	100.0
211.14862	2.7
215.14352	1.7
221.13235	1.9
223.14960	1.7
248.15556	1.5
251.17886	2.3
252.12405	1.7
253.19472	7.4
255.17354	1.7
263.18002	2.7
271.20758	1.7
272.10416	1.3
273.18433	1.5
281.19031	6.9
299.19913	1.8
312.12341	1.2
312.63052	1.3
313.21649	2.3
341.21262	2.4
642.36261	1.6
660.37500	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	661.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43685	3.1
55.01873	3.7
55.05514	5.6
57.07087	4.3
67.05502	17.0
72.08163	6.5
79.05477	9.3
81.03413	22.9
81.07053	23.1
83.08629	4.9
91.05463	19.9
93.07053	45.9
95.04951	31.0
95.08586	22.6
105.07024	30.7
107.08595	35.8
109.10130	5.5
114.10229	7.0
115.08689	5.2
117.06982	17.4
119.08562	45.4
121.10147	21.6
128.06213	6.0
129.06970	4.6
131.08565	23.0
133.06458	15.4
133.10115	48.5
135.08047	96.1
135.11703	8.1
143.08565	56.5
145.10078	47.2
147.11679	17.4
150.07361	3.7
155.08524	8.2
157.10106	27.7
159.11697	17.4
161.09572	34.6
169.10138	7.6
171.11668	26.6
173.13292	9.2
181.10139	16.5
183.11685	17.6
185.13258	7.1
194.10902	3.8
195.11673	21.5
197.13242	4.5
209.13242	24.7
223.14723	23.7
265.19482	77.2
283.20633	39.2
353.91498	3.5
388.54376	3.6
392.62051	3.4
481.20508	7.0
541.22711	5.0
559.23499	100.0
661.26227	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	661.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34996	1.2
56.10698	1.2
59.06113	1.3
61.80169	1.3
65.81966	1.1
69.07059	1.9
69.47377	1.3
75.36811	1.5
75.72011	1.4
79.05504	3.5
81.07077	1.9
83.00461	1.4
91.05476	6.0
93.07058	2.4
95.04971	3.0
95.08641	2.9
100.50721	1.4
105.07053	13.3
105.07634	1.3
107.04946	1.8
107.08576	6.9
117.07027	2.1
119.08567	12.9
121.10134	8.0
123.08089	5.7
129.06970	3.0
131.08557	6.9
133.06490	2.2
133.10152	13.6
135.08035	1.9
141.77043	1.8
143.08554	8.3
145.10115	10.7
146.95512	1.5
147.08041	6.3
147.11736	3.3
151.07559	5.7
155.08568	2.8
157.10085	8.7
159.08054	5.9
159.11684	6.0
161.09596	3.2
167.08562	1.6
169.10120	5.8
171.08133	1.6
171.11708	6.1
173.09587	2.8
175.11200	2.2
179.08588	5.8
180.09380	2.3
181.10123	7.6
183.11696	6.8
185.13318	2.3
192.09396	2.9
193.10167	15.8
194.10934	2.6
195.11729	15.7
197.09685	2.1
197.13274	7.3
204.09151	1.8
205.10097	2.5
206.10870	2.8
207.11725	14.3
209.13313	13.7
211.11159	2.4
211.14795	7.5
213.38426	1.6
214.36722	1.4
217.10246	1.9
219.11699	6.6
220.12537	2.5
221.13222	8.1
222.10396	1.5
222.14070	1.6
223.11177	2.1
223.14796	6.3
225.12831	1.9
231.11763	7.8
232.12566	3.2
233.13266	3.5
234.14076	2.4
235.14824	8.5
236.15613	1.9
237.12682	5.8
237.16364	2.5
246.14029	15.7
249.16391	13.5
251.17896	9.1
253.15758	1.6
259.14456	1.4
261.16400	12.0
267.17453	5.9
269.18924	2.2
269.53101	1.6
279.17398	22.6
289.68146	1.5
297.18564	9.3
339.19611	8.2
357.20441	2.2
391.02054	1.9
399.21490	3.2
403.04327	1.6
466.50327	1.5
541.24139	30.9
601.26184	100.0
661.28107	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	661.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45361	3.6
56.96580	4.1
63.91538	3.7
77.61325	3.9
81.07054	5.2
91.05437	4.4
93.07066	7.3
98.97583	21.4
99.05561	8.3
99.09228	7.8
116.98595	7.6
121.10157	4.7
130.37898	4.4
133.10110	27.5
135.08064	7.6
140.00838	4.8
143.08597	8.0
145.10129	6.1
195.11720	5.1
219.69395	4.4
235.05212	4.4
265.19476	7.5
288.50027	4.9
333.86465	4.6
357.24091	4.7
373.79333	5.3
381.17480	32.7
399.18646	4.4
417.29230	5.5
661.28735	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	661.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36946	1.3
67.05529	1.2
76.99575	1.1
77.12886	1.3
87.02271	1.2
91.05470	6.2
93.07030	6.0
95.04936	2.4
95.08562	1.8
95.29580	1.2
105.03371	8.7
105.07021	6.0
107.08569	5.8
111.33247	1.3
117.07011	1.9
119.08573	9.2
121.10107	1.4
131.08493	1.5
133.10109	20.0
135.08070	4.5
138.48798	1.1
143.08517	1.4
145.10107	13.6
147.11650	6.0
157.10046	1.4
169.10052	2.0
171.11617	2.3
173.13261	1.4
181.10210	1.3
209.13245	1.6
217.04721	13.9
223.14919	1.9
258.19058	1.5
265.19574	1.5
601.27863	2.4
661.29810	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	661.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04976	1.2
107.04945	10.6
107.06155	0.5
122.22331	0.6
135.08047	100.0
147.08035	0.8
160.03371	0.6
161.09612	1.3
173.09634	4.2
186.82982	0.6
191.10622	1.0
203.30234	0.6
209.11711	25.4
213.09163	0.8
325.17801	1.1
493.25793	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05511	13.9
56.44567	2.1
56.95143	2.1
57.03448	28.8
57.07103	2.5
60.31781	2.2
61.02932	83.7
61.76711	2.0
67.05510	46.1
69.03437	33.8
69.07066	20.1
71.04989	2.9
73.02919	23.1
79.05482	11.1
81.03425	25.1
81.07068	53.8
83.04972	3.2
83.08599	11.2
85.02908	100.0
91.03960	53.3
91.05482	11.0
93.07053	26.1
95.04973	3.4
95.08601	52.8
97.02895	82.3
97.06536	4.5
97.10177	4.3
98.97585	15.8
99.04456	11.1
99.05527	3.6
99.08040	2.7
99.09199	3.4
101.02360	9.1
103.03943	6.1
105.07044	14.2
107.08585	17.2
109.02885	13.6
109.06539	3.4
109.10166	23.4
111.04437	3.3
116.98611	4.7
119.08595	11.8
121.10131	10.9
123.08028	3.7
123.11688	10.6
127.03883	31.0
129.05515	5.4
133.10127	25.4
135.08034	4.6
135.11691	6.0
143.08586	5.4
145.04985	12.2
145.10124	4.4
147.11655	2.9
161.13263	5.0
163.06046	5.0
171.11726	3.5
171.93221	2.4
179.07091	3.6
183.06531	5.6
201.07611	5.1
217.14706	2.5
245.22705	5.0
263.23718	14.0
279.41245	2.6
337.27377	79.6
353.24585	2.6
371.26068	3.4
379.28555	3.4
381.17236	5.7
445.29453	9.8
463.30670	14.9
481.31744	30.9
499.32745	4.4
661.28418	42.3
661.37787	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04316	0.2
55.54723	0.2
56.05019	0.3
68.99792	0.5
82.78204	0.3
89.53712	0.3
91.43562	0.2
96.51142	0.3
119.04900	1.4
119.23671	0.3
121.06477	0.5
123.04420	16.0
135.04349	0.9
137.05981	0.3
139.03903	1.1
147.03285	0.4
147.04396	9.5
149.05969	3.0
151.03893	0.5
159.04361	0.5
161.05928	0.4
163.03883	0.4
165.05450	8.6
165.06773	0.5
166.21944	0.3
167.51881	0.3
177.05453	100.0
189.05429	0.4
203.07045	2.7
207.06555	2.3
215.07079	0.3
219.06516	0.4
220.09706	0.3
311.09067	0.9
329.10153	14.6
335.09055	0.3
338.04138	0.3
340.11566	0.3
341.10181	1.0
358.12744	0.5
372.14194	1.0
413.48608	0.3
417.76910	0.3
453.26309	0.3
493.14975	1.1
510.17694	0.3
554.34692	0.3
662.22205	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	663.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.8
55.05511	1.0
61.81865	0.4
63.74118	0.5
65.36684	0.4
69.03428	6.2
71.04991	18.9
75.04484	3.0
81.03419	100.0
83.04978	0.7
85.02905	10.3
85.06557	5.7
87.04463	0.7
92.17695	0.6
95.04968	2.7
97.02888	1.0
98.03737	0.8
99.00822	3.1
99.04446	16.9
104.38759	0.5
109.02874	62.1
113.05996	16.0
115.03940	2.2
119.04945	1.9
125.35550	0.5
127.03911	14.0
139.03899	0.8
141.05472	10.7
145.04996	0.7
159.06535	1.1
177.07422	0.6
213.09161	0.7
222.18037	0.5
257.06656	2.9
275.07605	6.6
283.70099	0.5
307.11639	0.6
419.11823	6.6
433.13290	4.7
451.14420	62.6
668.02014	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	663.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83414	1.8
55.05500	2.9
62.28792	1.8
67.05502	3.7
69.07037	3.4
72.89757	2.2
79.05505	9.5
81.02893	2.1
81.07064	3.8
82.40980	2.1
83.04950	2.9
85.02897	13.5
85.08760	2.4
91.05473	11.8
93.07020	4.3
93.87915	2.3
94.12701	2.4
95.04997	3.5
95.08620	8.5
102.17341	2.4
105.07037	44.1
107.04960	12.4
107.08599	8.4
109.06528	4.9
109.10133	3.8
117.07008	3.1
119.04934	36.0
119.08586	14.5
121.06484	11.2
121.10159	11.1
123.08070	8.3
129.06940	2.8
131.08598	10.8
133.06496	74.9
133.10085	5.5
135.08047	9.8
137.09589	10.5
143.08549	10.6
145.06499	9.3
145.10118	13.7
147.04401	85.0
147.08076	11.1
147.11703	2.5
149.09615	4.3
155.08546	3.7
156.09328	3.5
157.10135	11.8
159.08064	9.2
159.11678	10.7
161.09633	3.1
163.07599	2.8
167.08614	3.8
169.10127	9.7
171.08060	3.7
171.11661	16.5
173.09645	10.5
175.11133	4.0
177.08983	2.7
179.08583	2.4
179.10573	3.5
179.36981	2.2
181.10153	10.3
183.11728	11.5
185.09659	5.1
185.13300	3.8
187.11153	12.7
189.05460	100.0
189.07106	5.0
193.10143	11.9
195.11732	9.2
197.09563	4.4
197.13254	5.5
199.11133	13.6
205.10381	2.6
205.12251	3.1
207.11763	11.9
209.13191	9.4
211.11224	5.4
219.11685	5.5
220.12404	4.2
223.11124	8.6
225.12729	11.5
229.15767	4.2
233.89497	2.3
235.11243	4.5
235.14880	2.3
239.17990	4.8
247.11130	5.3
249.16429	12.3
251.14240	2.6
253.15904	4.5
259.17767	2.4
262.13504	8.4
266.13007	2.7
267.17407	24.2
277.15857	27.3
285.18454	3.3
295.16888	69.3
297.94354	2.5
313.17969	38.9
337.18002	11.1
355.19070	48.6
373.20081	9.5
389.00070	2.2
397.20245	4.6
415.21121	2.8
561.25104	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	663.395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82226	2.7
53.03937	3.3
53.14843	3.2
55.05507	11.7
57.03440	22.5
57.07064	4.7
61.02930	70.8
65.99480	3.3
67.05507	23.6
69.03432	25.6
69.07069	32.5
71.01378	2.9
71.04945	3.4
71.08617	5.5
73.02929	28.7
79.05457	5.9
80.40510	3.5
81.03410	22.0
81.07058	29.8
82.50914	2.8
83.08604	21.2
85.02904	100.0
91.03951	49.9
92.77757	3.3
93.07037	22.6
95.08604	30.4
97.02884	82.5
97.10133	19.2
99.04439	13.9
101.02361	7.0
107.08586	12.5
109.02878	15.4
109.10114	8.0
115.03902	4.4
121.10129	15.1
127.03912	35.2
128.45334	3.0
129.05443	4.3
135.11667	20.6
145.04947	15.3
149.13242	4.8
163.05963	5.4
173.83073	3.3
178.88284	3.3
183.06512	13.0
201.07558	8.1
254.81956	3.3
265.25235	19.4
339.24854	4.4
339.28900	96.1
352.41278	3.5
373.26822	4.0
385.93402	3.4
447.31073	6.7
465.32175	21.3
483.33255	35.5
501.34409	5.6
593.10162	3.8
663.39667	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72586	1.1
54.15117	1.3
55.05504	6.0
67.05507	42.6
69.07055	8.1
75.80084	1.1
75.83793	1.3
79.05489	16.2
81.07059	50.8
83.08620	12.7
85.06557	1.2
91.05486	11.0
93.07043	21.7
95.08023	2.0
95.08607	57.6
97.06525	6.5
97.10156	5.9
99.42252	1.2
105.07021	5.0
107.08604	19.3
109.10146	27.9
111.08061	6.4
119.08553	9.9
121.10148	30.6
123.11691	10.0
125.09564	1.9
127.03911	26.6
129.26970	1.3
131.08578	2.5
131.27461	1.4
133.10130	19.9
135.11702	19.3
137.09599	5.4
137.13196	1.8
139.03911	22.7
145.10112	2.7
147.11729	6.1
149.13268	7.0
151.11218	7.4
153.01825	73.3
155.10645	1.5
159.11725	2.7
163.03883	2.2
173.13235	1.9
181.04935	4.6
193.08559	1.5
195.06454	1.7
215.17982	12.9
233.18954	10.9
251.20029	46.6
269.21191	4.8
359.22107	11.9
377.23190	100.0
471.88931	1.2
627.42566	4.8
645.43329	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	663.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70520	3.1
58.98388	3.0
59.35080	2.9
69.69966	3.4
92.18134	10.5
102.13050	3.6
141.91640	3.6
184.07285	5.1
184.73682	3.8
274.94473	3.8
365.22894	20.1
378.29135	4.0
428.98126	4.2
663.48138	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	664.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14422	0.6
70.06587	7.3
76.13332	0.7
76.91663	0.7
77.66539	0.8
82.68925	0.9
92.74981	0.7
95.04958	1.5
123.04412	7.1
139.03886	15.0
151.03867	10.1
151.07527	1.9
153.47542	0.8
161.05981	5.1
163.03899	4.0
165.05548	1.1
173.06067	1.3
177.05537	1.4
178.08640	1.7
179.03395	17.1
179.07013	30.0
179.08507	1.2
188.07031	1.2
190.08624	1.7
191.07021	10.8
196.09711	5.3
203.03429	1.4
203.07001	3.1
208.09665	1.6
220.09673	1.0
221.08095	0.9
231.06615	1.0
257.04608	1.0
269.08237	1.1
273.07553	1.1
281.04697	1.0
281.08203	1.4
285.07660	1.4
287.05569	1.9
293.08200	1.0
297.07645	4.6
299.05618	5.5
308.09195	11.8
309.07547	18.4
311.09189	3.3
313.07053	1.2
314.10242	1.4
315.08698	4.6
321.07693	3.6
326.10178	22.5
327.08707	3.3
332.11288	1.5
338.10257	3.1
339.08633	9.5
339.53033	0.8
374.12378	6.1
460.13895	1.1
461.12140	3.3
478.14899	3.7
664.20215	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	664.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11193	1.5
57.00311	1.5
57.87089	1.6
60.34527	1.5
63.38704	1.6
64.89043	1.7
67.75565	1.8
70.06592	3.5
73.26006	2.1
76.17224	2.0
81.87948	1.8
106.68456	2.2
123.04411	3.8
135.04388	3.0
137.33136	2.0
139.03912	10.8
146.25226	2.0
151.03896	3.7
161.06020	3.4
163.03891	9.4
179.03380	8.9
179.07007	24.5
191.07059	14.9
196.09586	2.9
199.12321	2.2
201.05443	2.3
281.07925	2.3
283.06143	2.5
297.07727	3.2
299.09085	7.5
308.09195	3.5
309.07492	22.3
315.08505	2.6
316.11777	2.8
326.10229	29.5
326.88400	2.0
338.92175	2.1
339.08710	4.0
357.09235	1.9
374.12527	9.6
544.82068	2.1
664.20245	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	664.369
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	10.0
70.74998	6.1
81.03425	28.3
88.73515	8.2
93.07031	13.7
95.04958	17.6
96.80801	7.2
98.60130	6.5
105.07040	13.4
107.08580	14.0
112.33615	7.0
119.08570	16.2
121.10118	7.5
131.08575	9.5
133.10124	77.4
135.08066	14.5
138.07990	7.4
143.08591	11.8
145.10100	16.3
157.10176	25.1
159.11758	9.8
161.09598	50.3
169.10213	10.8
171.11598	6.8
173.13286	12.2
175.27673	7.2
183.28526	6.9
185.13191	8.7
202.15205	7.8
203.36662	7.7
207.11656	11.4
209.13348	9.1
220.12489	8.6
221.13281	35.5
223.14688	7.7
248.15500	10.8
263.17978	100.0
279.08710	8.0
281.18866	66.0
323.20096	29.8
340.67441	7.9
341.21182	16.9
383.22098	55.7
443.24207	37.2
532.20001	8.2
664.37103	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	664.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12421	1.2
64.64063	1.0
67.05509	1.3
77.52236	1.3
79.05486	6.1
81.07063	1.5
91.05529	1.3
92.18505	3.6
93.07049	2.5
95.08591	2.3
105.07060	2.7
107.04954	100.0
107.08592	4.7
119.08573	7.2
121.10124	2.1
124.06473	1.1
131.08575	2.5
133.10130	5.8
135.11699	1.7
137.09639	1.8
143.08548	2.5
145.10112	1.6
149.05974	21.5
155.08553	1.5
157.10181	1.4
158.15417	8.0
169.10207	2.3
173.13309	1.5
182.04459	1.0
183.11665	1.7
192.10184	67.4
197.13255	2.1
228.38129	1.3
246.18495	7.7
281.18915	2.1
299.20117	1.8
306.20612	39.9
311.26447	1.2
460.94449	1.1
490.29410	22.3
550.31812	9.7
604.40198	8.3
656.17529	1.2
664.42108	90.8
685.97125	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	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99597	0.6
63.37720	0.7
73.98706	0.7
77.06369	0.7
106.36824	0.8
123.08724	0.8
124.76428	0.7
136.07574	6.3
154.08646	5.1
219.28036	0.8
237.10162	1.2
251.08220	0.8
265.09714	8.4
266.55588	0.8
267.11298	9.1
269.08813	0.8
280.08395	1.8
281.09192	6.3
283.10739	1.3
284.11484	1.6
293.09171	37.5
294.10019	1.0
295.10739	22.2
302.12643	4.0
311.10211	17.3
313.11841	11.1
321.08640	41.4
329.11325	2.8
339.09720	100.0
340.10541	1.7
341.11322	7.5
344.13651	3.0
357.10858	3.8
371.12338	27.8
372.13040	8.8
389.13391	87.5
394.66644	0.8
406.17722	1.6
429.74445	0.8
452.18204	1.8
596.93042	0.8
615.24591	5.6
618.99268	0.8
619.26740	0.8
647.26965	18.7
665.28247	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	665.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99597	0.6
63.37720	0.7
73.98706	0.7
77.06369	0.7
106.36824	0.8
123.08724	0.8
124.76428	0.7
136.07574	6.3
154.08646	5.1
219.28036	0.8
237.10162	1.2
251.08220	0.8
265.09714	8.4
266.55588	0.8
267.11298	9.1
269.08813	0.8
280.08395	1.8
281.09192	6.3
283.10739	1.3
284.11484	1.6
293.09171	37.5
294.10019	1.0
295.10739	22.2
302.12643	4.0
311.10211	17.3
313.11841	11.1
321.08640	41.4
329.11325	2.8
339.09720	100.0
340.10541	1.7
341.11322	7.5
344.13651	3.0
357.10858	3.8
371.12338	27.8
372.13040	8.8
389.13391	87.5
394.66644	0.8
406.17722	1.6
429.74445	0.8
452.18204	1.8
596.93042	0.8
615.24591	5.6
618.99268	0.8
619.26740	0.8
647.26965	18.7
665.28247	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	665.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43361	0.5
52.31625	0.5
54.84685	0.6
57.99205	0.5
62.86977	0.6
64.34155	0.9
65.06676	0.7
119.56335	0.7
136.07587	4.9
154.08623	5.7
158.60849	0.7
162.39183	0.7
185.20888	0.6
197.40816	0.8
204.06586	1.0
237.10170	1.6
239.11794	1.1
243.20384	0.7
265.09659	6.1
267.11298	8.1
280.08331	1.3
281.09174	3.8
283.10757	2.6
284.11533	2.8
293.05911	1.4
293.09207	42.5
295.10760	20.4
302.12692	1.2
311.10178	17.7
312.11005	1.0
313.11758	9.1
321.08646	40.8
322.09390	1.6
329.11267	1.4
339.09729	100.0
340.10312	1.5
341.11328	5.7
344.13644	3.8
353.11499	1.0
357.10898	3.3
360.92651	0.7
371.12320	22.2
372.13345	6.0
373.13791	0.9
389.13416	99.9
403.79678	0.7
615.24341	5.4
619.27747	1.2
647.27051	12.6
665.29608	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	665.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81835	0.4
57.03438	0.4
59.64970	0.4
67.05527	0.4
69.07060	0.5
78.27428	0.5
81.07058	0.7
91.05476	0.9
93.07044	0.5
95.04962	1.1
97.06573	0.6
103.05472	32.8
105.04513	0.7
105.07016	0.9
107.08600	0.6
119.08512	1.0
121.06531	0.6
129.07002	0.8
131.04932	100.0
133.06482	0.8
133.10121	0.9
135.08046	0.6
136.52602	0.4
137.09615	0.8
143.08583	1.8
145.06554	0.5
145.10112	0.6
155.08589	2.0
157.10152	0.9
159.08115	1.0
159.11714	0.8
160.83710	0.4
161.09642	0.5
167.08643	0.8
169.10138	3.3
171.11789	0.6
173.09654	0.7
175.11183	0.4
179.08517	0.8
181.10126	1.0
183.11737	2.2
187.11282	0.8
193.10187	1.9
195.11560	1.3
197.09521	3.3
197.13232	0.5
199.11215	0.7
201.12830	0.5
206.10947	0.6
207.11659	3.2
209.13130	0.8
211.11211	1.0
219.11618	0.8
220.12497	0.9
221.13298	1.9
223.11240	0.9
224.12148	0.5
225.12750	1.8
232.12421	0.7
234.14056	1.8
235.11002	0.6
235.14955	0.8
236.11929	0.6
239.14429	0.6
244.12466	0.7
249.16307	3.4
251.14334	1.0
253.15942	0.8
259.14667	0.6
262.13559	1.6
265.15869	1.0
267.17505	2.1
277.15839	5.4
285.18347	0.4
295.16931	10.8
307.16544	0.7
312.83096	0.4
313.17993	2.3
337.18210	1.7
355.18988	3.8
371.15234	0.5
373.20200	0.7
415.21082	1.0
462.41937	0.5
485.22977	0.8
665.29327	2.0
686.45282	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	665.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09151	1.1
61.08238	1.4
64.95739	1.3
68.07153	1.2
79.05491	1.2
83.04992	1.8
91.05450	1.9
93.07029	3.3
95.04968	3.0
95.08585	2.7
97.06511	1.6
102.47144	1.7
103.05466	19.7
105.07019	3.1
107.08591	3.0
109.06549	1.7
109.10136	1.9
111.04460	2.2
119.08554	2.6
121.06451	2.5
121.10119	1.6
123.08098	1.7
131.04924	100.0
131.08553	5.6
133.10130	2.6
135.08078	5.1
137.09590	2.0
143.08551	5.7
145.10080	2.8
147.08040	2.6
149.09669	2.0
155.08549	2.9
157.10089	2.2
159.08070	2.0
159.11726	3.2
161.09564	2.4
169.10123	2.3
171.08015	1.9
173.09637	1.9
173.13356	1.5
179.08504	1.6
181.10062	2.5
183.11716	2.0
185.09596	2.6
187.11179	2.1
195.11682	1.9
197.13243	2.7
199.11212	5.6
203.10638	1.5
205.12277	1.4
207.11716	2.3
209.13223	2.0
211.11191	3.2
219.11668	1.6
223.14626	1.5
225.12831	1.7
235.11037	2.0
238.27071	1.3
238.62723	1.7
249.16255	2.8
253.12361	1.4
267.17484	2.8
277.15851	5.7
282.24390	1.4
285.18420	1.6
295.16940	11.3
313.18051	22.0
331.18839	2.5
355.19046	8.6
461.23331	10.5
503.24213	6.1
665.27673	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	665.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06126	45.9
60.04522	19.5
60.14962	4.0
62.32943	4.2
62.61410	4.4
84.55640	4.0
85.07666	38.6
98.98484	5.5
101.07082	5.9
103.08711	100.0
558.12598	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	665.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38920	1.1
50.85065	1.0
55.05519	10.8
57.07068	1.9
59.95456	1.1
66.68636	1.1
67.05503	24.0
69.07069	21.7
70.68225	1.1
71.04990	1.4
76.70514	1.2
79.05495	11.5
81.07058	37.4
83.08624	18.2
90.41438	1.3
91.05470	8.2
92.17949	1.6
92.18403	1.4
93.07059	17.8
95.08611	38.8
97.06552	1.8
97.10170	14.3
99.08109	1.4
105.07057	6.6
107.08610	12.8
109.10157	23.2
111.08106	3.8
111.11675	1.5
119.08573	8.0
121.10128	22.8
123.11680	8.1
127.03909	100.0
131.08566	1.9
133.10132	16.5
135.11696	17.2
137.09633	2.3
137.13248	2.0
138.89230	1.1
139.03893	19.7
145.10135	2.0
147.11690	7.0
149.13249	7.8
151.11171	2.5
151.14775	1.9
153.01819	70.9
161.13255	5.7
163.03870	1.7
165.05472	5.5
175.14769	1.6
177.12660	1.2
181.04996	2.8
187.14867	1.3
215.17969	5.6
217.19585	5.3
233.18987	5.1
235.20595	6.5
251.20074	21.0
253.21619	8.5
269.21210	5.1
277.17188	1.3
280.57288	1.2
329.56470	1.4
340.97226	1.6
359.22198	10.7
361.23624	1.6
377.23193	42.5
379.24808	45.2
380.59158	1.3
391.04651	1.2
440.19101	1.3
485.39792	1.7
503.40945	6.2
521.41876	2.1
599.87482	1.4
629.44073	23.9
647.44904	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	666.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85194	3.9
58.01976	4.1
63.03397	4.2
72.88789	4.7
95.04950	5.8
105.03392	100.0
123.08064	7.6
133.10175	4.7
135.08014	5.7
159.08070	11.3
161.09641	7.6
169.10022	7.6
171.08133	8.3
173.09637	5.2
174.35423	5.6
181.10115	9.6
183.11633	5.8
197.09596	10.9
197.13190	9.7
199.11365	14.5
207.11661	11.4
209.09619	23.5
210.10414	4.9
211.11180	26.9
221.13203	5.6
223.11166	10.2
223.14893	7.0
225.12720	11.2
227.10735	8.2
237.12904	6.9
239.14281	11.3
247.14810	7.6
251.14203	10.2
253.12288	34.5
253.15607	5.0
254.91002	5.6
265.15887	31.5
267.13663	6.7
271.13419	6.2
275.14389	18.5
283.16910	6.7
293.15378	56.0
311.16559	35.9
329.17490	8.3
353.17322	7.5
371.18515	11.7
389.19565	25.0
391.17557	66.0
413.19592	6.4
431.20547	11.1
449.21786	9.5
491.22946	10.9
557.98322	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	666.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70354	3.0
62.48796	2.9
66.82467	2.8
69.03423	3.7
77.15033	2.8
83.04966	5.2
93.07038	5.6
95.04960	6.5
95.08601	5.8
105.03391	100.0
105.07033	6.9
107.04967	5.1
119.08551	5.6
121.06489	16.3
131.08562	7.2
133.06464	4.6
135.08040	5.7
137.09593	3.8
143.08516	17.3
145.06485	7.2
145.10120	12.1
147.08055	15.0
149.05972	3.2
149.09627	4.7
151.07573	3.5
151.11237	3.0
155.08545	19.2
157.10135	26.9
159.08012	18.5
161.09576	17.5
167.08539	7.0
169.10161	5.0
171.08009	7.1
171.11690	7.4
173.09685	11.9
179.08449	5.4
180.09357	4.2
181.10112	23.8
182.10915	18.0
183.07996	3.9
183.11693	23.8
185.09615	12.6
187.11140	12.5
192.09309	7.7
193.10132	16.2
194.10815	4.0
195.11687	58.4
196.08839	3.7
197.09627	16.4
197.13281	22.5
199.11176	37.9
205.10287	3.4
207.11667	36.8
209.09618	21.2
209.13284	6.0
210.10419	3.8
211.11169	70.4
211.14622	5.1
213.12743	15.1
215.10635	4.5
215.14209	4.1
223.11186	33.2
223.14801	7.2
225.12764	71.8
227.10614	15.0
227.14180	4.2
229.12276	4.8
235.11191	22.4
237.12627	4.4
237.16388	7.6
239.14191	12.9
241.12221	42.7
241.15967	6.3
243.13844	7.3
250.13612	4.0
251.14310	19.0
253.12241	44.6
253.15974	6.5
260.11780	5.0
263.14233	5.9
265.15823	23.3
267.13943	5.8
271.13208	32.4
275.14285	7.6
281.15399	13.2
283.16928	17.4
289.14267	13.0
293.15387	26.2
299.16550	5.8
311.16357	40.8
313.14319	21.6
329.17484	56.2
331.15372	41.6
347.18454	7.0
349.16443	90.4
371.18494	15.3
373.16479	6.2
389.19604	60.2
407.20792	3.9
449.21805	25.9
451.19650	12.3
453.18927	7.1
469.03482	3.3
509.23917	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	666.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40032	2.0
95.04958	4.6
105.03405	66.7
121.06544	4.3
124.03042	2.8
134.63220	2.8
143.08565	3.7
157.10147	3.0
159.08047	4.7
161.09616	2.5
171.08018	3.3
181.10194	3.3
183.11723	6.3
185.09566	5.2
195.11729	3.4
197.09637	15.3
197.13301	4.8
199.07555	4.5
199.11229	26.4
207.11751	13.1
209.09709	5.5
209.13307	3.1
210.10371	5.5
211.11172	15.9
213.12605	2.7
223.11198	5.3
225.12727	29.3
227.10744	6.1
235.11156	9.6
237.12711	2.6
239.14279	4.1
243.63313	2.5
247.14893	4.5
251.14346	3.8
253.12244	38.5
265.15781	9.3
271.13254	5.8
275.14267	5.5
283.16891	3.4
283.19855	2.6
293.15384	14.0
311.16452	6.1
316.28311	2.8
371.18707	4.0
391.17468	100.0
431.20773	12.0
613.25647	4.3
679.49750	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	666.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85194	3.9
58.01976	4.1
63.03397	4.2
72.88789	4.7
95.04950	5.8
105.03392	100.0
123.08064	7.6
133.10175	4.7
135.08014	5.7
159.08070	11.3
161.09641	7.6
169.10022	7.6
171.08133	8.3
173.09637	5.2
174.35423	5.6
181.10115	9.6
183.11633	5.8
197.09596	10.9
197.13190	9.7
199.11365	14.5
207.11661	11.4
209.09619	23.5
210.10414	4.9
211.11180	26.9
221.13203	5.6
223.11166	10.2
223.14893	7.0
225.12720	11.2
227.10735	8.2
237.12904	6.9
239.14281	11.3
247.14810	7.6
251.14203	10.2
253.12288	34.5
253.15607	5.0
254.91002	5.6
265.15887	31.5
267.13663	6.7
271.13419	6.2
275.14389	18.5
283.16910	6.7
293.15378	56.0
311.16559	35.9
329.17490	8.3
353.17322	7.5
371.18515	11.7
389.19565	25.0
391.17557	66.0
413.19592	6.4
431.20547	11.1
449.21786	9.5
491.22946	10.9
557.98322	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	666.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03937	0.5
53.59786	0.3
55.01879	0.8
55.05492	0.6
60.15533	0.3
62.58486	0.3
63.53419	0.3
65.23644	0.4
67.05495	2.0
69.03420	0.8
69.07068	1.6
72.04500	0.5
79.05498	7.0
81.07053	2.5
83.04980	0.6
83.08632	0.5
91.05474	10.8
93.07047	2.9
95.04968	2.1
95.08601	3.5
97.06512	2.4
104.00529	0.4
105.07018	5.6
107.04955	4.0
107.08601	6.6
109.06520	1.8
109.10165	2.1
111.04440	2.5
117.06989	1.9
119.04935	40.8
119.08581	4.6
121.06493	3.7
121.10152	3.3
123.08049	3.4
123.11687	0.8
125.05956	1.3
128.06233	0.6
129.06989	0.9
131.08577	3.4
133.06490	6.2
133.10085	3.8
134.09651	99.7
135.04395	3.1
135.08041	5.0
135.11719	0.7
137.09644	5.1
143.08568	4.7
145.06497	0.9
145.10156	3.8
147.04402	66.7
147.08092	2.6
147.11655	0.6
148.11165	0.6
149.09615	5.3
151.07597	0.5
151.11153	4.2
153.05457	2.8
153.06784	0.4
154.60597	0.4
155.08577	2.4
156.09341	0.5
157.06581	0.5
157.10081	3.1
159.08017	2.9
159.11658	3.2
161.05960	0.4
161.09584	5.7
163.07549	0.5
163.11127	0.7
165.05469	2.7
165.06783	0.4
165.09183	0.5
165.12793	0.6
167.08530	0.5
169.10100	4.2
171.08102	1.9
171.11723	3.0
173.09576	3.6
173.13235	0.6
175.07610	0.8
175.11226	1.7
177.09105	1.8
177.12706	2.6
179.10750	0.7
181.10132	1.5
183.11678	4.8
185.09772	0.5
185.13402	0.6
187.11200	2.9
189.05458	7.6
189.09111	4.0
189.12787	1.6
191.10754	0.9
193.10136	0.8
195.11713	2.3
196.12535	0.5
197.09610	2.3
197.13281	3.3
199.11182	1.7
201.12735	1.5
206.10803	0.4
207.06534	2.6
207.11728	2.2
209.09561	0.5
209.13281	1.5
210.11316	1.5
210.14203	0.5
211.11194	3.4
211.14841	0.7
213.12856	1.5
215.10751	1.5
215.14394	2.3
219.11842	0.4
220.12576	0.5
221.13217	1.5
223.11218	1.7
224.12009	0.4
225.12743	2.2
225.16443	1.5
229.12239	0.5
229.15918	0.5
231.13786	0.7
234.14130	0.5
237.12820	0.6
239.14156	0.5
239.18040	1.6
243.13847	0.8
249.16364	0.7
252.09641	0.8
252.12292	23.3
253.15950	1.4
262.13458	0.6
267.17401	3.0
277.15659	0.5
285.18454	2.7
295.17014	2.4
313.17920	9.6
355.19095	6.0
360.08231	0.4
415.21109	5.1
515.85602	0.4
666.32697	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	666.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99368	0.2
55.01864	1.2
55.05492	1.3
57.07066	0.3
60.69474	0.2
61.49697	0.3
65.03934	0.4
67.05489	1.3
69.03425	1.2
69.07048	1.3
72.04495	1.1
78.90377	0.3
79.05489	6.2
81.07047	1.9
83.04964	1.5
91.05476	9.6
93.07039	3.7
95.04971	2.7
95.08601	2.7
95.21729	0.3
97.06522	1.9
97.10167	0.5
105.04473	0.4
105.07034	5.7
107.04964	4.9
107.08589	6.8
109.02900	0.5
109.06506	1.8
109.10155	1.6
111.04449	2.2
111.08051	0.4
115.05431	0.6
116.57771	0.3
117.06994	2.1
119.04932	42.3
119.08562	5.0
121.06492	3.7
121.10128	2.9
123.08062	3.0
123.11665	0.6
125.05968	1.6
125.09622	0.4
128.06198	0.6
129.06987	1.8
131.08557	3.7
133.06490	6.3
133.10123	3.8
134.09645	100.0
135.04443	2.8
135.08051	5.0
135.11696	1.6
137.09602	3.8
141.06989	0.7
142.07771	0.5
143.08540	4.7
145.06422	1.1
145.10133	3.8
147.04398	66.1
147.08008	2.5
147.11679	1.2
147.69588	0.3
148.11259	0.5
149.09612	5.9
149.13245	0.4
151.07617	0.4
151.11172	4.1
153.05463	2.3
155.08522	2.1
156.09306	0.5
157.10094	3.0
159.08054	2.3
159.11684	3.3
161.09610	5.3
161.13255	0.5
163.07544	1.1
163.11176	1.2
164.10715	0.4
165.05455	1.8
165.06914	0.4
167.08522	0.6
168.09372	0.5
169.10106	3.7
171.08040	1.9
171.11656	1.9
173.09563	2.9
173.13289	1.5
175.07536	1.2
175.11159	2.4
177.09111	1.4
177.12666	2.3
178.07722	0.3
179.06984	0.3
179.08542	0.5
179.10646	1.5
181.10072	1.6
182.10809	0.4
183.11647	3.4
185.09648	1.6
185.13315	0.6
186.10416	0.4
187.07558	0.6
187.11145	3.2
189.05469	7.4
189.07214	0.4
189.07538	0.4
189.09061	4.8
189.12743	1.4
191.10716	1.3
192.09341	0.3
192.10216	0.3
193.10182	1.4
194.10887	0.3
195.08011	0.4
195.11665	2.0
196.12502	0.7
197.09644	2.2
197.13255	3.9
199.11183	2.0
199.14874	0.6
201.12671	1.2
203.10600	0.3
205.12169	0.5
207.06482	2.1
207.11671	2.1
209.13300	1.2
210.11143	1.6
210.14044	0.4
211.07680	0.4
211.11179	3.2
211.14813	1.5
213.09045	0.3
213.12759	1.3
215.10666	1.1
215.14267	2.3
217.08647	0.3
217.12180	0.5
219.11697	0.6
220.12564	0.6
221.13222	0.6
223.11214	1.3
224.11931	0.5
224.15604	0.6
225.12679	2.7
225.16406	1.6
227.14287	0.4
229.12242	0.4
234.14095	0.5
235.11436	0.3
235.14839	1.1
237.12685	1.4
238.13577	0.5
239.10632	0.3
239.14285	0.7
239.17967	1.6
249.16315	0.7
252.12288	22.1
253.15866	1.6
262.13608	0.3
267.17392	3.2
277.15848	0.4
285.18439	2.0
295.16858	2.1
313.17944	9.7
324.23303	0.3
340.59552	0.3
355.19019	6.5
373.20270	1.0
405.64255	0.3
415.21094	5.1
483.40567	0.3
561.24951	0.6
666.32672	97.6
673.37103	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	666.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59546	0.7
55.01894	0.7
55.05513	0.9
67.05505	1.0
69.03423	1.0
72.04512	0.9
79.05492	5.0
81.07063	0.8
91.05457	7.7
91.57687	0.7
93.07051	1.9
95.04960	1.8
95.08601	3.0
105.07041	6.7
107.04959	4.5
107.08603	5.8
109.06521	1.2
109.10154	1.0
111.04469	1.3
114.35798	0.8
117.07004	1.0
119.04944	37.3
119.08592	4.1
121.06502	3.2
121.10144	3.6
123.08065	3.1
125.06015	1.0
128.06262	0.8
129.06987	1.0
130.07742	0.7
131.08539	1.3
132.74588	0.7
133.06483	5.1
133.10103	4.3
134.09654	88.4
135.04430	1.5
135.08052	4.5
135.11659	1.1
137.09616	2.9
143.08559	5.1
145.10077	4.1
147.04413	59.1
147.08060	3.2
147.11681	1.1
149.09608	4.9
151.11203	4.4
153.05482	1.1
153.58029	0.9
155.08559	1.0
157.10112	1.6
159.08069	1.6
159.11725	3.4
161.09637	5.5
165.05478	1.1
165.10657	0.8
169.10153	4.1
171.08052	1.7
171.11687	3.2
173.09607	1.9
175.11182	1.5
177.09264	0.8
177.12709	1.3
183.07991	0.9
183.11678	3.7
185.09637	1.3
187.11203	3.3
189.05423	6.2
189.09131	4.0
189.12773	1.4
193.10194	1.0
195.11784	1.4
197.09804	1.3
197.13237	3.5
199.11163	1.5
207.06483	1.2
207.11693	1.9
209.13370	0.8
211.11217	1.8
213.12741	0.9
215.14288	2.7
223.11307	0.9
225.12794	3.1
231.49178	0.8
243.13742	1.2
244.12534	1.0
249.16441	0.8
252.12286	18.2
253.15858	0.8
256.73636	0.8
267.17487	1.2
277.15897	0.9
285.18634	1.3
295.16849	1.8
313.18005	8.1
355.18982	4.6
415.21240	3.8
453.00638	0.9
593.06366	0.9
611.74896	0.9
666.32715	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	666.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.07088	0.9
58.77399	0.8
67.05497	4.0
69.03417	0.8
69.07057	3.5
70.31183	0.7
71.79818	0.7
72.03217	0.8
72.04515	12.0
79.05485	3.1
81.07062	9.1
83.08614	1.8
85.02917	1.4
85.06522	3.7
91.05473	7.9
93.07047	8.3
95.04958	0.8
95.08605	7.7
97.06522	3.4
103.59514	0.8
105.07029	23.1
107.08592	37.5
109.06525	5.3
109.10146	3.0
111.08060	5.3
117.06990	0.8
119.04942	17.1
119.08562	13.4
121.06498	8.4
121.09296	1.5
121.10128	28.2
123.08067	4.4
123.11667	4.8
123.25719	0.9
129.07066	1.9
131.08563	15.4
133.06467	3.6
133.07469	1.2
133.10126	10.0
134.09639	11.2
135.04471	1.8
135.08057	9.2
135.11653	7.1
137.09575	1.6
142.07755	1.2
143.08540	12.4
145.10110	10.6
147.04401	25.2
147.08038	4.8
147.11676	4.0
149.09636	5.9
151.07570	1.1
155.04330	0.9
155.08516	6.7
157.10104	12.6
159.08047	1.6
159.11705	9.3
161.09615	3.4
163.07578	1.2
163.11119	1.2
165.09071	1.7
168.09343	5.2
169.10124	8.0
171.08096	0.8
171.11707	7.0
173.09607	1.8
173.13280	3.1
175.11188	7.3
177.09071	1.4
177.12773	3.6
181.10027	5.3
183.11678	72.6
185.13274	3.7
187.11143	1.4
189.05519	1.4
192.10161	4.8
193.10223	6.2
194.10878	0.9
195.11713	6.3
197.09677	0.8
197.13249	17.8
199.11182	4.9
201.09122	0.9
201.12709	4.1
207.11719	10.9
209.13246	6.5
211.11110	5.5
211.14771	16.5
213.12753	1.1
215.17859	1.2
220.12486	2.9
221.13289	3.0
223.14812	2.9
225.12738	3.7
225.16379	2.7
229.12192	1.3
229.15877	1.0
233.19020	4.5
234.11327	2.9
234.13959	2.8
237.16435	1.0
239.17886	20.0
249.16310	20.5
252.12288	43.6
257.18954	7.0
267.17410	100.0
285.18463	20.9
295.16913	5.5
303.68402	0.9
309.18423	1.0
313.17999	1.8
325.23770	3.1
327.19501	6.6
345.20630	11.4
355.18979	3.2
387.21722	1.6
433.22351	1.0
515.35181	0.9
647.09332	0.9
666.32623	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	666.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70936	1.2
60.20028	1.2
67.05486	1.6
68.21352	1.2
69.03452	1.1
69.32265	1.2
71.04975	1.3
72.04513	100.0
74.06071	1.5
79.05484	2.6
81.07051	3.0
83.08623	2.6
85.06556	1.5
91.05470	8.9
93.07033	5.9
95.08607	5.4
105.07007	25.1
107.08591	26.3
109.10167	1.4
111.08017	1.7
119.04929	25.5
119.08585	16.3
121.06503	5.6
121.10136	27.8
123.07990	1.4
123.11703	2.2
123.89358	1.4
129.06949	1.9
131.08528	8.1
133.06450	2.1
133.10106	7.9
134.09641	63.3
135.08046	6.3
135.11693	2.3
137.09543	2.9
143.08522	7.4
145.10118	8.9
147.04396	34.8
147.11691	2.2
149.09612	3.0
155.08572	2.9
157.10106	8.9
159.08080	1.8
159.11691	7.3
161.09657	4.8
163.07565	1.7
165.09293	1.4
168.09329	2.6
169.10112	7.6
171.11644	5.4
173.13318	2.0
175.11119	3.0
179.08554	1.5
181.10149	2.9
183.11673	60.7
185.13301	2.7
189.05379	2.0
192.10193	39.9
193.10175	4.8
195.11664	5.9
196.12405	1.6
197.13206	13.7
199.11176	2.7
201.12749	1.5
203.90494	1.3
206.10930	1.5
207.11676	10.3
209.13264	2.1
211.11168	7.2
211.14780	12.4
213.12701	1.9
221.13206	2.7
225.12802	2.0
234.11258	5.9
234.13814	3.0
239.17892	17.8
249.16379	18.4
252.12282	48.6
257.18918	2.3
267.17392	68.1
285.18521	15.2
295.16925	6.4
327.19434	6.0
345.20657	8.2
415.21054	1.9
464.54724	1.4
666.22620	2.0
666.32709	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	666.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73248	0.5
56.14774	0.6
62.08942	0.6
69.03412	1.5
72.04517	1.7
79.05481	0.9
81.07043	3.8
83.08600	1.0
83.29112	0.7
85.83327	0.6
91.05477	4.6
93.07015	2.4
95.04955	0.7
95.08582	1.2
103.05471	4.5
105.07018	7.6
107.04929	9.4
107.08604	3.0
109.06501	1.6
111.08066	9.8
117.06987	1.2
119.04958	2.7
119.08586	4.7
121.06503	3.8
121.10117	1.6
123.08060	1.1
131.04910	16.0
131.08566	2.8
133.10167	1.4
134.09644	17.6
135.08052	4.2
135.73817	0.8
137.09639	3.3
139.07521	8.4
143.08546	5.0
145.10089	5.3
147.04387	1.3
147.08057	3.6
147.11676	1.5
149.06049	1.4
149.09610	1.4
155.08557	0.9
157.10158	6.2
159.08075	0.8
159.11688	3.0
161.09631	1.3
163.07652	1.0
165.09192	1.4
168.09332	1.1
169.10100	1.4
171.11690	5.2
173.09575	5.3
175.11182	5.2
180.09187	0.8
181.10143	4.6
183.11682	22.9
185.09618	1.6
185.13284	1.7
187.11212	3.3
193.10210	3.4
194.11824	13.9
195.11662	12.4
196.12445	1.1
197.13226	1.2
199.11142	4.8
199.14880	2.7
201.12743	12.0
207.11728	4.3
208.12491	4.5
209.09612	1.3
209.13254	4.1
210.11180	1.1
211.11212	2.7
211.14847	3.5
213.12787	1.7
213.16342	1.4
221.13318	0.9
222.14052	3.2
223.11397	2.0
223.14816	19.9
224.56020	0.7
225.12766	1.1
227.14136	1.0
227.17830	0.8
232.12573	1.1
237.16365	17.8
239.14366	1.4
241.12292	1.1
241.15785	10.0
247.14775	3.1
255.17390	13.5
265.15833	18.7
273.18460	1.1
283.16931	33.8
301.17987	18.6
325.18051	5.3
343.19028	7.9
351.97012	0.8
403.21277	1.3
445.40396	0.7
666.32727	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	666.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17992	1.4
54.18349	1.0
54.46608	1.1
67.05491	1.3
69.03441	1.3
75.01727	1.4
79.05510	1.6
81.07061	1.2
81.51964	1.2
91.05479	16.1
94.72181	1.4
95.04945	1.6
103.05460	3.1
105.07018	9.0
106.18243	1.3
107.04967	6.4
107.08591	2.1
109.06504	1.7
111.08098	7.9
119.04971	2.8
119.08578	6.4
121.10128	5.3
131.04941	13.1
131.08566	5.3
133.06352	1.5
133.10124	3.2
134.09654	65.4
135.08067	5.3
137.09642	2.7
137.61755	1.2
139.07550	9.2
143.08537	2.0
145.10176	5.6
147.08057	7.8
149.09624	2.4
155.08589	2.8
157.10173	5.4
163.07526	9.7
169.10085	2.6
171.11732	7.2
173.09601	6.9
175.11115	2.0
181.10100	5.2
183.11697	18.9
185.13235	1.6
187.11163	5.2
193.10156	2.7
194.11839	12.0
195.11737	14.1
197.13246	3.2
199.11143	5.2
199.14873	1.6
201.12791	6.4
207.11765	5.6
208.12459	2.1
209.13286	5.3
210.11308	16.5
211.11372	1.6
211.14891	1.9
213.12791	2.7
221.13336	1.9
222.14119	2.2
223.11345	1.7
223.14839	14.3
225.12770	1.9
232.12556	2.1
237.16330	17.0
238.65556	1.3
241.15930	6.9
249.16452	1.6
255.17480	8.1
265.15771	12.5
273.18524	1.7
277.15982	5.4
283.16913	28.6
283.19766	1.8
295.17041	2.9
301.18030	14.6
325.17896	2.5
343.19058	3.0
353.30978	1.4
355.18695	1.4
403.20999	1.8
453.97290	1.4
464.30307	1.2
542.42181	1.7
666.32776	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	666.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01866	3.5
57.61456	3.6
82.27847	3.9
91.05479	4.5
93.07019	17.0
95.04973	7.1
102.32646	4.9
105.07047	17.7
107.08579	5.0
119.08581	21.1
132.40276	4.1
133.10118	64.0
135.08026	7.8
143.08543	18.4
145.10091	9.3
149.09669	4.3
157.10069	7.0
161.09624	19.1
171.11798	4.7
207.11763	5.1
221.13179	17.5
233.13152	5.4
248.15730	5.2
263.17944	36.2
281.18976	31.6
323.20010	16.4
383.22034	10.3
435.16794	4.9
443.24341	7.6
646.42688	4.6
666.38324	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	666.4342
Annotation	PAz-PC
Peak:m/z	Relative Intensity
57.40849	0.8
60.08158	4.5
65.14438	0.9
71.98383	0.9
86.09708	23.4
86.70107	0.9
96.35367	1.0
106.59223	0.8
124.99977	10.2
136.87491	0.9
153.97250	0.9
184.07333	100.0
273.26599	1.0
370.77753	1.2
598.70667	1.0
666.43433	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69846	0.2
58.33341	0.2
63.83260	0.3
65.03919	0.2
71.04994	0.4
77.82007	0.3
81.03423	4.6
85.02908	0.4
91.05484	3.4
99.00810	1.1
99.04443	1.2
101.16297	0.2
102.42210	0.2
109.02870	4.5
113.06003	0.4
116.81481	0.2
119.04942	14.8
120.04572	0.2
121.56934	0.2
127.03873	0.3
147.04405	100.0
165.05449	0.9
203.13887	0.3
213.09238	0.2
226.74249	0.3
261.06006	1.1
275.07669	0.9
296.82355	0.2
309.09708	2.5
323.11267	5.2
332.14804	0.2
335.53580	0.3
437.12894	0.4
469.14902	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	667.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44751	3.9
55.05503	9.6
57.07070	5.3
67.05507	7.4
69.07065	10.5
72.71098	5.1
81.07063	11.7
83.08615	10.2
93.07014	5.9
95.08591	33.1
97.10163	10.2
107.08566	6.8
109.10123	6.5
111.29788	5.2
116.24555	4.8
121.10180	7.8
122.51693	4.6
127.03912	100.0
135.11716	7.6
147.11693	5.6
153.01811	50.1
169.96474	5.1
235.20518	6.5
253.21507	9.3
299.66187	4.9
379.24826	59.9
380.78738	5.2
394.88800	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	667.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53122	0.7
55.05514	7.7
57.07074	3.9
62.73935	0.7
67.05507	13.6
69.07074	18.5
79.05489	6.5
81.07066	19.0
83.04960	1.3
83.08629	12.3
85.06528	1.9
91.05499	2.0
93.07054	9.8
95.08604	22.4
97.06548	2.3
97.10175	11.3
99.08112	1.2
105.07017	5.2
107.08614	6.0
109.10147	11.9
111.08076	1.3
111.11724	4.0
119.08571	5.3
121.10149	13.4
123.11731	6.7
127.03916	100.0
130.27977	0.8
130.29141	1.0
133.10107	8.2
135.11687	11.7
137.09633	1.4
137.13242	2.2
139.03891	7.7
139.11154	2.2
147.11710	7.5
149.13258	2.3
151.11201	1.3
151.14783	1.7
153.01828	47.7
153.12808	1.6
161.13266	6.7
175.14769	1.2
181.04990	4.0
217.19560	7.3
235.20586	6.3
253.21623	14.5
271.06091	1.7
271.22736	9.7
357.20850	1.1
379.24789	60.9
501.60110	0.9
505.42746	4.1
523.43298	4.4
649.46820	6.1
667.47247	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	668.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04512	1.2
72.36539	0.7
75.96165	0.7
94.55487	0.7
105.03402	15.8
107.04936	1.0
107.08590	1.1
122.10475	0.8
131.04913	4.1
134.09633	4.8
149.05981	0.9
165.92171	0.7
178.08617	1.0
183.11688	1.0
186.95078	0.8
191.09435	0.7
208.11240	1.4
218.11781	1.0
219.10367	3.2
220.11258	1.3
221.11922	1.6
222.12897	1.1
224.14310	4.0
232.11221	1.1
233.12050	2.9
234.12767	9.3
235.13423	0.8
252.13884	7.6
263.13043	3.5
264.13840	0.8
265.14581	1.6
268.17142	0.8
270.14978	1.0
278.15417	17.9
280.13266	2.8
280.16656	1.1
294.14810	1.0
296.16425	10.1
310.17523	0.8
338.17447	12.3
340.19046	0.7
356.18643	6.3
395.19449	0.8
398.19687	9.2
400.19138	1.0
412.19138	1.1
426.20639	3.7
446.19699	1.1
460.21005	2.8
486.22665	7.5
520.23303	18.3
546.24701	1.0
608.26733	1.0
668.28424	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	668.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66508	1.3
60.04527	3.1
62.75046	1.1
68.31149	1.1
77.79120	1.3
79.05499	13.1
81.07058	1.6
91.05464	4.8
92.17825	4.3
93.07008	5.1
93.99280	1.2
95.08591	1.8
105.07013	7.6
106.06528	9.8
107.04948	100.0
107.08612	5.0
109.10126	2.3
116.61705	1.2
118.96348	1.4
119.08590	9.7
121.10114	3.0
131.04904	21.4
131.08562	1.6
133.10133	15.2
143.08571	8.5
145.10121	2.2
148.07527	5.6
149.05975	31.6
155.08585	4.8
156.09338	1.4
157.10112	7.2
159.11560	1.5
161.09605	4.9
166.08611	44.9
169.10095	6.7
170.10876	1.7
171.11649	5.6
181.10104	1.9
183.11673	8.2
185.13356	1.8
190.08711	1.5
193.10081	2.5
195.11676	5.1
197.13278	5.3
206.10921	6.8
207.11681	7.8
208.09679	6.4
209.13309	1.8
220.12459	2.5
221.13286	13.2
233.13203	4.9
234.14085	3.0
237.16261	2.4
248.15613	8.5
253.19662	1.7
263.17926	27.4
281.18924	12.1
299.19983	2.0
323.20035	4.7
383.22296	1.5
442.50049	1.2
449.65195	1.5
488.28140	3.1
537.10693	1.6
566.30963	8.8
608.32178	30.2
668.34332	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	668.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25038	0.9
52.77061	0.9
53.09927	0.8
57.08652	0.9
60.19883	1.0
67.05450	1.1
68.44282	1.1
70.76929	0.9
71.20454	1.1
72.04516	30.9
72.17418	1.0
79.05493	2.2
91.05487	21.5
93.07050	2.6
97.06556	1.3
103.05498	1.4
105.07046	4.0
107.04952	53.6
107.08588	5.2
109.10172	1.8
109.78167	1.1
111.08090	1.3
117.07012	1.3
119.04945	15.1
119.08559	5.6
121.10129	4.3
123.08000	1.7
123.11696	1.4
129.07039	1.5
131.04901	4.3
131.08554	2.6
133.10112	5.2
134.09654	100.0
135.08058	1.9
137.09570	1.5
143.08551	2.4
145.10103	1.4
147.04474	12.7
147.08041	1.2
149.06009	13.9
149.09680	1.1
157.10158	2.2
161.09602	1.7
169.10083	2.6
171.11667	1.8
176.10692	2.2
179.08629	1.9
183.11726	2.3
185.09663	1.1
189.09183	1.4
193.10158	1.5
194.11780	51.3
195.11581	1.4
197.13353	1.8
199.11162	2.2
203.80602	1.0
207.11710	1.8
209.13283	5.8
210.11252	22.6
211.14894	1.9
213.12840	1.1
237.12891	1.9
249.16377	1.8
252.12239	10.5
267.17453	2.4
271.16962	4.3
295.16946	2.7
313.18015	1.8
337.55148	1.3
608.32428	16.4
654.93695	1.2
668.34198	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61798	0.9
65.04413	0.8
66.84829	0.9
79.05496	7.1
92.17889	2.8
92.46244	0.9
97.27190	0.9
105.07045	7.2
107.04950	85.7
109.06522	1.1
111.08086	1.5
113.42256	0.9
119.08589	6.5
121.10101	1.7
123.08073	1.7
131.04933	1.8
131.08546	1.5
133.06476	3.7
134.09666	9.3
135.08052	4.7
137.09627	3.8
143.08572	5.9
145.10112	4.6
149.05968	25.0
149.09560	1.7
155.08575	1.6
159.08038	1.9
161.09555	2.3
169.10097	1.6
171.11682	1.3
175.07581	1.3
183.11812	1.1
183.54027	1.0
194.11758	87.9
197.13312	1.2
199.11122	1.0
207.11690	1.6
209.13255	1.1
211.11075	1.2
225.12837	1.8
225.16280	1.1
234.14011	1.1
244.12158	1.2
249.16383	1.4
253.15941	1.3
295.16949	4.5
313.18005	4.9
433.21613	1.1
547.82410	1.2
668.34235	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	668.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34640	1.6
79.05501	5.5
85.41096	1.9
91.05483	29.5
98.57173	2.2
105.07050	2.4
107.04956	48.5
115.13020	2.1
117.28755	2.2
119.04964	3.6
119.08563	9.6
131.08606	3.1
133.10146	3.5
134.09657	4.5
143.08531	2.7
145.10136	2.9
149.06003	13.5
157.10097	4.0
159.08026	4.1
173.09660	3.0
183.11705	4.9
194.11838	28.0
195.11673	4.1
209.13257	3.9
210.11250	41.0
250.69701	2.3
253.12180	3.6
313.17941	4.1
376.18784	2.6
434.16098	2.9
441.04062	2.4
668.34357	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	668.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.4
56.48241	4.3
57.07062	4.4
57.35742	3.8
58.57646	4.6
60.21119	3.9
61.49584	4.0
69.07029	6.3
71.67342	4.7
83.08614	19.6
84.32568	5.1
91.05512	6.4
92.17829	9.0
93.07017	27.1
95.08596	9.4
103.05464	20.0
105.07027	30.4
107.08591	8.9
109.06477	7.9
109.10146	8.0
119.08575	67.3
121.10133	9.4
125.09635	6.9
129.07043	7.9
131.04916	87.3
131.08606	16.6
133.10123	22.5
137.09674	6.0
142.07690	5.6
142.66658	4.9
143.08591	40.5
145.10085	36.8
149.09662	6.3
149.97580	5.2
155.08594	17.9
155.73639	4.4
156.09378	9.8
157.10095	45.9
159.11732	8.3
161.09552	7.2
169.10153	45.6
171.11673	31.2
173.09702	6.8
173.13225	8.1
183.11674	66.0
185.13176	41.3
187.11104	5.8
187.14809	7.7
191.88071	4.8
193.10143	6.6
195.11655	8.9
197.13223	10.6
197.49153	5.3
206.10910	6.0
207.11668	19.3
207.13467	5.4
209.13249	8.4
211.11221	9.9
211.88794	4.6
221.13222	30.4
223.14703	4.9
225.12784	7.4
237.16394	6.3
239.14259	5.8
239.17833	5.7
248.15671	10.9
254.29906	4.8
262.52890	4.8
263.17981	51.7
279.20947	5.1
281.18979	100.0
299.20020	49.2
323.20316	5.4
341.21118	31.0
383.22067	6.2
401.23148	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
63.13118	0.8
77.76666	0.9
79.05481	1.0
91.05477	80.1
93.07061	1.3
95.04952	0.9
95.08621	1.1
103.05487	2.7
105.07015	3.1
107.04933	4.4
107.08569	0.9
119.04946	14.0
119.08604	4.2
121.10124	3.0
131.08553	2.0
133.10191	1.5
134.09654	17.6
145.10085	1.4
157.10103	1.4
159.08080	3.7
164.10699	0.7
165.05493	1.1
169.10095	2.0
169.69440	0.7
179.08496	3.0
180.09253	1.3
181.10075	1.7
183.11678	1.0
191.08549	1.1
192.09380	0.9
193.10178	3.2
195.11719	5.1
203.57137	0.7
206.10893	7.8
209.13214	3.1
210.11247	100.0
211.14880	1.1
221.13249	8.8
232.15088	0.8
235.15004	1.1
239.14253	1.2
246.14049	3.3
249.16461	0.8
251.18047	1.2
252.12372	1.5
261.16293	0.8
279.17538	4.3
285.30313	0.7
384.52176	1.1
558.74017	0.9
620.64325	0.9
668.34229	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
59.24578	1.1
60.58257	1.3
66.37683	1.1
67.05503	2.4
67.80617	1.2
69.07043	1.2
76.13163	1.0
79.05505	2.4
81.07049	1.2
81.82848	1.2
82.82151	1.1
91.04903	2.6
91.05477	76.5
93.07037	5.0
95.04923	2.3
95.08603	8.7
103.05457	2.3
105.03385	1.3
105.07028	10.6
107.04969	8.0
107.08603	7.0
109.10147	1.3
119.04933	34.0
119.08582	9.3
121.06478	1.4
121.10144	5.0
123.08042	5.7
129.06998	1.5
131.04887	1.5
131.08589	5.1
133.10101	2.1
134.09657	26.4
143.08546	7.0
145.10092	9.1
147.04405	33.0
147.08002	1.4
149.05919	1.4
155.08495	4.9
157.10149	4.8
158.20943	1.2
159.11613	2.6
164.57286	1.3
166.08665	1.6
169.10094	2.1
171.11725	2.7
173.09698	1.6
175.11171	1.4
181.10143	1.7
183.11676	2.5
185.13222	1.8
195.11708	7.3
197.13199	1.4
207.11682	1.8
209.13205	2.7
210.11227	100.0
211.14934	2.1
217.09991	1.5
219.11728	1.2
246.14093	1.4
248.15421	1.4
251.17964	4.7
252.12288	25.9
261.16360	2.1
263.18054	1.4
271.16901	18.3
279.17410	5.6
297.18466	4.9
315.19629	1.9
343.80865	1.4
357.20648	2.6
474.16238	1.3
608.31543	1.7
668.34235	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03808	1.8
86.64523	2.0
91.05478	70.9
92.17884	2.1
107.04936	27.9
107.08624	2.2
117.06997	2.1
119.04947	9.3
119.08546	3.6
122.46778	1.9
129.05635	2.1
134.09645	13.8
149.06009	10.4
155.08597	2.5
157.10110	8.4
159.08006	3.2
169.10098	2.3
181.10078	3.5
193.10266	3.2
194.11848	16.3
195.11702	3.8
207.11771	2.2
209.13268	7.7
210.11246	100.0
221.13225	2.9
235.14876	2.3
251.17979	4.4
252.12283	4.6
279.17407	4.6
338.74677	2.5
339.19574	11.0
668.25684	3.2
668.34204	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35737	4.3
55.01371	4.4
66.96053	3.7
68.07014	5.5
72.04545	5.8
74.05087	4.5
81.08924	4.1
88.31570	4.4
104.60408	4.8
105.07019	6.7
107.04956	7.5
107.08588	4.7
119.08572	6.7
123.08042	5.6
134.09650	27.6
135.08037	8.3
149.09598	6.1
161.09637	6.1
165.07005	5.6
167.08533	10.7
169.10149	7.9
173.09526	5.1
179.08521	5.6
181.10110	20.1
183.11761	7.9
193.10144	11.0
195.07921	7.0
195.11700	56.3
204.09561	4.7
205.59486	4.5
207.11629	9.3
209.13289	45.6
211.11139	9.6
213.12885	4.6
219.11731	22.6
222.10347	16.6
225.12866	6.9
227.10355	6.1
227.14378	10.2
235.11142	5.7
235.14853	10.2
237.12743	100.0
249.16158	14.7
251.14108	4.8
253.12288	7.9
255.13733	34.3
259.14847	4.9
267.17477	19.6
277.15878	20.1
295.16983	30.2
297.14957	11.3
313.17929	15.3
315.15869	87.3
331.18979	9.4
355.19135	6.1
357.16785	45.4
373.19986	8.1
397.89532	5.2
413.22903	5.5
415.21271	17.3
457.22198	8.1
475.23322	46.1
516.93030	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	669.2026
Annotation	Jaceidin 7-neohesperidoside
Peak:m/z	Relative Intensity
50.81069	0.2
52.71532	0.2
57.03436	1.2
64.45721	0.3
68.01847	0.3
69.60426	0.2
71.04992	6.6
81.03371	0.3
85.02903	9.1
95.52115	0.3
97.02887	0.4
119.37811	0.3
129.05487	0.6
153.05469	4.3
153.33009	0.3
167.03406	1.8
179.03340	1.3
181.04958	1.4
183.21773	0.3
259.84631	0.3
267.30371	0.3
272.06635	0.5
283.05878	0.3
300.06296	2.7
301.06985	4.3
305.10214	2.5
328.05667	0.7
329.06519	2.4
332.09027	0.6
345.06079	1.6
346.06879	3.3
361.09155	100.0
403.10074	0.3
523.14215	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	669.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
69.94722	1.7
73.58681	1.7
74.40302	2.1
77.03941	2.6
91.05460	2.4
93.07024	2.0
93.18501	1.8
95.04939	8.4
97.06503	2.3
105.02680	3.5
105.03391	100.0
105.04466	3.2
105.07021	3.3
109.06522	7.4
113.05998	7.1
115.05404	1.7
116.64960	1.7
117.06989	3.1
119.08595	1.8
123.04418	3.8
125.06014	4.7
129.07034	4.6
131.08525	2.1
133.06502	2.2
133.26823	2.1
137.05943	2.4
143.08499	2.7
145.06471	10.4
153.06961	2.0
157.06586	2.7
165.07013	3.7
167.08582	2.3
169.06523	2.3
169.10126	2.4
171.07962	2.2
175.07504	2.3
178.94044	2.0
179.08525	3.3
181.10103	8.2
183.07976	3.8
185.09706	2.7
187.07635	4.4
193.10155	4.5
195.08089	3.2
195.11736	8.2
197.09628	2.4
199.75319	2.2
204.09373	2.4
205.10143	3.6
206.10822	3.1
207.11690	4.2
208.08786	2.0
209.09647	4.6
209.13313	3.9
211.07558	2.4
211.11234	4.2
213.09140	2.5
213.12779	3.0
219.11768	4.3
221.09648	8.7
222.10294	2.6
223.11188	11.2
233.13416	3.3
235.11230	7.1
237.12772	11.2
239.10718	3.7
239.14236	2.6
241.12259	3.0
247.11182	7.8
249.12720	2.9
253.12231	7.6
261.12582	3.3
265.12134	13.1
279.13647	2.5
283.13287	19.0
289.12128	3.1
295.13342	8.7
297.14752	2.9
307.13266	12.9
313.14279	3.5
325.14319	40.4
325.17908	2.3
343.15353	8.1
367.15280	7.9
385.16489	20.7
427.17587	2.7
429.16888	3.0
445.18207	3.5
502.27075	2.1
549.20807	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	669.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
53.89857	1.1
60.38623	1.1
66.51212	1.2
67.05521	1.7
69.03419	1.7
77.03926	2.5
79.05486	1.5
91.05473	3.5
95.04950	12.2
97.06516	3.1
103.05502	1.5
105.03390	100.0
105.04494	4.1
105.07038	2.5
109.06516	10.0
113.06011	7.5
117.07008	7.7
121.06526	2.5
123.04405	3.3
123.08092	1.4
125.06004	3.5
129.06995	6.8
131.04991	2.2
131.08554	1.8
133.06445	2.1
135.08034	2.0
137.05963	2.4
141.07025	2.6
143.08487	5.0
145.06438	8.4
147.08051	2.7
153.06960	1.8
154.07776	1.6
155.08574	6.3
157.06505	2.8
159.08057	2.9
161.05989	5.4
165.06955	2.9
167.08554	2.9
169.06468	5.2
171.08070	3.4
175.07555	2.4
179.08568	5.7
180.09305	2.2
181.06490	1.6
181.08566	2.4
181.10109	7.1
183.08026	7.2
185.09555	2.2
187.07475	2.0
192.09454	2.5
193.10103	7.8
195.08008	3.1
195.11719	10.0
197.09639	1.5
199.07481	2.2
199.11136	1.7
204.09399	2.5
206.10904	1.8
207.11635	5.5
208.08733	1.5
209.09610	7.2
209.13304	5.1
211.07509	2.6
211.11113	2.4
213.09081	1.9
213.12746	2.3
218.10918	2.2
219.11682	7.4
221.09644	8.3
222.10454	1.9
223.11259	10.0
225.09006	1.8
225.12738	2.8
232.08987	1.6
233.13216	2.3
234.10281	1.6
235.11176	7.1
237.09140	1.8
237.12723	11.7
239.10527	2.8
241.12204	5.9
246.10573	1.6
247.11105	5.8
249.12762	2.6
251.14214	2.0
253.12256	5.6
255.13686	3.3
261.12830	2.6
264.11511	2.0
265.12201	10.8
277.12140	2.1
279.13843	7.2
283.13242	16.3
295.13272	10.4
297.14801	3.4
307.13217	14.6
313.14343	3.0
325.14322	35.9
343.15405	9.0
355.15341	1.9
367.15283	6.7
385.16391	16.5
427.17581	2.2
445.18494	6.0
447.18060	5.1
474.32861	1.4
507.19519	1.8
546.83221	1.4
635.43909	1.5
642.99475	1.7
669.31537	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	669.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32382	2.1
50.48289	1.8
55.17155	2.0
81.64825	2.2
90.58172	2.2
108.08009	2.2
110.83449	2.4
124.07545	3.1
150.05461	11.1
152.07053	12.4
178.05025	17.4
196.06088	5.6
199.78439	3.1
203.08101	22.1
204.06438	5.2
217.09683	5.7
234.10002	4.3
235.10788	29.3
245.09200	57.5
245.98795	2.1
246.07706	4.2
251.44507	2.4
259.10855	3.4
261.12277	5.4
263.10254	79.4
269.42157	2.4
271.07144	4.2
274.13165	12.5
275.13821	32.0
287.10327	32.3
289.11761	9.1
301.11746	3.8
303.93750	2.4
305.11288	100.0
307.13068	3.0
380.19794	5.2
398.20898	3.0
406.17490	2.9
408.19208	4.6
424.19131	2.6
426.20297	29.8
444.21271	17.4
469.81885	2.5
472.27832	2.6
586.58453	2.4
603.24298	9.1
621.25513	50.6
639.26709	60.9
651.26782	5.1
669.27539	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	669.3598
Annotation	Myrtucommulone A
Peak:m/z	Relative Intensity
57.82087	1.1
58.71208	0.9
59.05016	1.1
62.52496	0.9
62.85023	1.0
66.69977	1.0
67.59959	1.0
69.67584	1.0
76.43920	1.1
86.12720	1.0
92.44392	1.2
98.98425	2.0
99.08097	5.3
109.10178	11.6
123.11703	1.8
137.09587	4.6
141.86252	1.1
151.11160	12.7
160.92805	1.1
179.10672	12.8
297.09360	1.4
323.07169	5.2
339.14218	1.6
365.11874	17.2
449.21451	1.6
475.19147	13.5
490.46240	1.3
491.26700	2.2
493.20419	1.7
517.23883	16.1
541.23859	2.2
627.31476	4.8
669.35980	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	669.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.6
67.05511	51.1
69.03424	4.5
69.07063	12.4
71.04980	15.8
72.04487	2.6
79.05490	49.1
81.03431	28.7
81.07054	69.1
83.04973	14.1
83.08610	11.3
85.06528	4.7
91.05481	39.3
92.11453	2.4
93.07034	58.3
95.04961	16.7
95.08601	28.7
97.02892	6.1
97.10131	3.0
104.12096	2.5
105.07036	30.8
107.04937	3.8
107.08585	19.6
109.06508	2.8
109.10156	5.4
117.07016	9.8
119.08566	18.7
121.10142	13.5
123.08051	4.1
123.11682	11.7
127.03908	3.1
129.06999	17.0
133.10118	19.1
134.09590	3.2
135.11684	3.5
143.08533	10.3
144.16566	2.9
145.10123	6.1
147.11676	31.3
149.13249	5.3
151.11174	4.4
161.13248	10.3
169.12199	3.0
171.11668	14.8
173.04428	10.6
183.13898	2.9
189.12704	3.4
207.13817	5.3
281.17538	26.2
305.55682	3.0
442.61444	3.0
449.29010	45.3
475.30499	100.0
507.33017	10.8
619.34479	14.2
651.37177	43.1
669.36816	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	670.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.07692	0.5
67.05499	0.8
72.04507	0.9
77.03902	0.5
79.05489	1.1
91.05479	14.9
91.63594	0.4
95.04957	2.0
105.03398	21.0
105.04482	1.5
105.06993	0.9
107.04946	4.7
107.08641	0.6
119.04938	72.9
121.06506	0.5
131.08559	0.8
133.06496	2.4
134.09647	46.9
141.06970	0.7
143.08549	1.0
143.77168	0.5
145.34589	0.5
146.82785	0.5
147.04407	100.0
148.11201	0.6
149.06007	0.5
153.07080	1.6
154.54178	0.5
155.08560	0.9
157.10127	0.9
158.07278	0.7
165.05476	4.1
165.07004	7.9
166.07762	4.3
167.08556	15.1
168.09291	1.1
169.10107	2.5
178.07689	0.7
179.08542	18.2
180.09320	11.5
180.10779	0.7
181.10109	13.3
181.87178	0.5
183.08162	0.5
183.11624	0.9
189.05476	5.2
192.09375	3.1
193.10129	5.4
194.10858	21.5
195.08046	2.0
195.11758	2.9
204.09322	3.3
207.06465	1.7
207.08142	1.1
207.11685	6.0
208.12396	3.3
209.10019	1.0
209.13249	41.8
210.11224	3.8
211.11154	1.0
211.14801	0.6
219.11705	3.4
222.10365	6.6
227.14166	1.0
236.12138	0.5
237.12730	14.2
239.14291	3.9
250.10823	1.0
252.12294	69.9
255.13860	1.1
277.15958	0.5
295.14832	0.5
297.14804	2.2
341.15546	0.5
361.18054	2.3
367.09589	0.5
401.17224	0.5
419.18707	1.0
421.20172	0.9
445.40302	0.5
464.24112	0.9
488.68903	0.6
520.26837	2.0
548.26361	7.5
594.62927	0.5
652.31500	0.6
670.30011	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31828	0.6
53.03950	0.9
55.43245	0.5
63.57860	0.7
66.07106	0.7
67.05508	0.9
72.04501	0.9
77.03934	0.7
79.05489	1.3
81.01447	0.6
91.04904	1.4
91.05474	39.4
92.96362	0.7
95.04978	5.0
96.33646	0.7
105.02676	1.7
105.03386	49.7
105.07024	4.0
108.21016	0.7
110.47632	0.6
117.07006	2.6
119.04933	71.2
129.06975	3.5
131.08566	1.4
132.08141	0.8
133.06485	1.7
134.09645	85.8
141.06963	1.1
143.08563	3.4
145.06471	3.0
147.04398	100.0
148.11163	1.2
153.06978	3.4
155.08560	8.8
157.10153	1.1
164.10699	1.3
164.98584	0.8
165.05467	4.6
165.06981	15.8
166.07817	4.8
167.08540	26.5
168.09332	1.2
169.10101	9.6
178.07808	4.4
179.08534	34.8
180.09323	20.2
181.10092	24.2
183.11699	1.4
189.05446	6.5
191.08620	1.3
192.09216	9.6
193.10121	17.7
194.10880	39.5
195.08055	2.8
195.11681	13.6
197.09605	0.8
197.13216	1.0
203.08565	1.3
204.09343	9.1
206.10880	6.6
207.06491	2.5
207.11681	15.2
208.08835	1.4
208.12552	1.5
209.13234	72.8
210.11238	20.2
211.11121	6.5
211.14767	4.8
219.11674	18.4
221.09569	1.6
221.13202	14.1
222.10379	11.9
225.12801	0.9
227.14363	1.3
235.11186	1.6
237.12717	26.9
239.14259	9.2
250.10707	1.5
252.12282	44.8
281.15363	3.0
297.14865	5.9
316.85675	0.8
333.81854	0.8
488.24319	12.5
530.25110	2.7
548.26343	23.4
602.32971	0.8
610.27802	3.9
670.30023	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.31725	0.7
57.36005	0.8
58.06588	0.8
61.75197	0.7
72.04506	1.1
79.05482	3.7
81.07033	1.0
90.47549	0.9
91.05487	15.3
95.04969	4.0
105.03388	28.7
105.04520	1.1
105.07014	1.7
107.04929	6.0
110.48502	1.0
117.06968	1.3
119.04932	67.1
131.08586	1.0
133.06473	1.6
134.08623	2.0
134.09641	48.4
143.08568	1.0
147.04396	100.0
148.11125	1.3
153.06955	1.7
155.08524	1.5
165.05447	4.4
165.06964	9.0
166.07738	3.9
167.08540	18.0
168.09302	1.4
171.31120	0.8
179.08528	18.9
180.09328	12.0
181.10083	15.4
189.05475	6.5
192.09468	1.9
193.10120	5.8
194.10820	24.5
195.08008	1.3
195.11713	1.5
204.09441	4.2
207.06491	1.7
207.11621	6.5
207.17244	1.0
209.13235	41.1
210.11238	4.0
211.11270	0.9
211.14713	0.9
219.11652	2.2
222.10417	4.6
227.14084	1.0
237.12697	15.0
239.14253	4.6
252.12277	61.7
255.13599	1.4
297.14838	1.8
385.60498	0.9
408.27164	0.9
520.27185	1.1
548.26178	5.8
670.29846	43.7
680.46094	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	670.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46914	0.4
56.05446	0.4
65.03922	0.5
67.05527	0.5
72.04515	1.0
77.03944	1.1
79.05476	1.9
81.07048	0.6
91.05476	19.8
95.04965	5.0
105.03395	37.6
105.04488	1.8
105.07019	3.8
107.04920	0.6
115.05415	0.5
117.07030	3.9
119.04938	71.3
119.08512	0.8
121.06512	0.9
129.07022	4.7
131.08575	2.1
133.06468	2.1
134.09651	72.8
143.08560	2.8
145.06485	2.5
147.04404	100.0
148.11247	1.9
152.06270	0.8
153.06970	3.5
155.08549	9.6
157.10081	0.6
158.07295	0.6
159.08052	0.8
163.07552	0.6
164.10803	0.7
165.05473	3.0
165.06987	14.6
166.07776	5.2
167.08548	24.2
168.09323	0.9
169.10117	5.0
178.07806	3.1
179.08536	30.5
180.09331	18.5
181.10103	20.6
183.11726	2.3
189.05463	6.0
191.08615	2.1
192.09238	8.6
193.10124	17.0
194.10902	38.0
195.08092	2.1
195.11679	12.7
196.08786	0.5
197.13196	1.1
203.08577	1.0
204.09340	9.5
205.10172	0.6
206.10896	3.6
207.06517	3.0
207.08270	0.8
207.11676	12.0
208.08852	2.4
208.12474	2.3
209.09941	1.9
209.13251	62.0
210.11282	8.1
211.11215	4.8
211.14848	3.3
213.12805	0.8
219.11687	11.7
221.13190	8.2
221.14964	0.6
222.10381	10.9
224.44528	0.5
237.12726	27.4
237.15080	1.0
239.14255	7.7
250.10805	2.0
252.12286	52.8
255.13759	1.0
295.15067	0.6
297.14914	6.1
299.16684	0.6
341.15527	0.5
488.24188	12.0
530.25226	0.9
548.26428	19.1
610.27740	1.0
670.30042	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32276	5.9
64.55726	7.5
69.07060	9.7
74.06065	8.2
83.05003	7.4
91.05495	14.0
93.07014	10.2
95.04961	17.1
97.06508	10.1
105.07024	31.3
107.04952	8.0
109.68574	6.2
117.06956	9.0
119.04935	16.2
119.08576	30.7
121.06498	15.3
123.08080	11.2
129.07005	12.1
131.04863	7.1
131.08553	13.8
133.06450	29.4
133.10106	15.5
135.08018	14.3
137.09657	7.2
143.08498	25.1
145.06502	8.4
145.10095	11.6
147.04427	10.0
147.08015	14.0
149.05977	10.6
149.09602	12.1
151.07605	11.4
155.08536	29.3
156.09320	7.1
157.10115	14.2
158.44780	6.7
159.07986	16.7
161.09657	15.3
166.07776	8.9
167.08434	10.7
169.10101	52.5
171.08020	15.5
171.11624	25.3
173.09601	12.4
175.45984	7.8
177.09151	7.7
179.10725	10.4
181.10152	36.5
183.08078	10.1
183.11671	43.9
185.09605	47.5
187.11127	9.5
193.10110	15.7
195.08041	13.1
195.11723	44.6
197.09631	32.1
197.13249	37.3
199.11189	76.0
199.98340	6.6
207.11725	14.9
209.09663	14.8
209.13257	14.0
211.11217	56.7
213.12660	13.7
219.11536	7.3
223.11150	35.3
223.14886	9.3
225.12798	53.9
227.10672	100.0
232.12637	8.8
235.11197	13.2
235.14795	7.3
236.11981	7.5
237.12660	11.2
237.16251	11.5
238.10147	7.8
239.10582	7.7
241.12267	36.0
241.15887	9.6
247.14839	15.3
250.13611	12.5
251.14241	13.0
253.12160	49.1
253.15871	11.4
260.12122	7.1
265.15903	51.3
267.79868	7.0
269.11801	13.9
269.15262	16.0
271.13403	26.8
281.15204	9.8
283.16855	10.4
293.15332	70.3
297.07190	7.4
311.16336	93.5
313.14203	12.7
353.17487	26.4
371.18561	50.0
386.48657	8.8
397.22745	8.4
431.20636	27.7
473.21857	11.4
491.22781	63.9
533.23889	29.9
593.25983	14.6
639.89349	8.2
670.23022	31.1
670.35187	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	670.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76711	4.4
55.01870	4.9
56.52375	5.1
67.05524	5.0
69.07080	7.8
70.05302	4.8
70.29047	5.2
70.73698	4.5
77.08103	5.0
79.05500	6.6
81.07053	6.3
83.04961	6.4
91.05460	32.3
92.18430	10.6
93.07008	12.0
95.04964	6.1
95.08574	21.2
97.06515	23.3
105.07029	41.5
107.04961	10.2
107.08584	21.2
109.06504	11.6
117.07034	11.4
119.04877	4.9
119.08569	22.5
121.06483	22.0
121.10107	8.3
123.08051	25.4
131.04893	5.7
131.08578	24.5
133.06482	28.9
133.10141	11.1
135.04378	5.1
135.08054	20.4
137.09712	5.8
141.06960	9.3
143.08533	25.4
145.06467	23.5
145.10138	21.6
147.08051	21.3
147.11716	7.5
149.05974	12.9
149.09642	9.4
151.07631	9.0
153.09099	5.8
155.08578	18.7
157.10097	25.2
159.08032	26.9
161.09615	26.3
165.06989	6.1
167.08557	13.2
169.10048	40.2
169.72328	5.4
171.08034	29.1
171.11684	21.0
173.09641	22.3
175.07571	8.1
175.11145	5.6
179.08543	13.1
180.09413	6.6
181.10135	36.1
183.08029	11.4
183.11682	26.8
185.09607	12.2
185.13266	12.3
187.07394	7.2
187.11226	6.9
192.09354	9.9
193.10138	27.2
195.11665	45.7
195.23199	6.0
197.09654	29.5
197.13292	32.8
199.11206	26.4
203.10587	6.0
205.10139	12.4
206.10883	8.2
207.11679	35.5
208.08878	9.4
208.12354	7.0
209.09566	22.5
209.13295	35.6
210.10468	9.9
211.11224	29.7
211.14821	6.4
213.09180	9.8
213.12788	28.7
217.10115	10.8
217.12204	6.0
220.12524	6.4
221.13280	20.1
222.14067	7.6
223.11165	55.6
223.14719	41.1
225.12723	39.4
227.10709	11.3
230.10728	6.5
231.11751	6.5
232.12460	32.9
233.09509	6.4
233.13148	7.8
235.11195	35.0
235.14868	5.9
236.11905	7.5
237.12744	12.8
237.16385	21.7
239.10611	6.9
239.14247	12.7
241.12231	21.2
241.15825	13.1
247.14851	32.0
249.12827	8.3
249.16469	5.4
250.13454	23.2
251.10654	10.4
251.14282	46.0
253.12207	33.7
253.15825	9.9
255.17459	8.3
260.12003	23.4
263.14398	7.0
265.15906	70.5
269.15338	21.1
275.14258	37.5
281.15286	26.2
283.16968	28.6
293.15402	100.0
311.16428	93.5
313.14291	9.9
323.16077	5.3
329.17505	9.4
335.16525	23.0
353.17444	41.4
371.18561	42.3
373.16443	23.0
413.19623	38.3
431.20477	21.6
473.21509	20.2
491.22736	31.4
533.23743	38.9
670.34174	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	670.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
74.06081	100.0
91.05477	31.2
93.07019	1.0
97.27785	0.7
105.07041	7.3
119.04942	7.7
119.08607	3.1
120.08057	1.0
132.08083	3.7
133.06430	1.0
143.08597	3.2
145.10181	1.7
149.06009	0.9
150.09163	5.6
155.08507	1.1
157.10127	3.2
163.48032	0.7
167.08514	2.7
168.09338	0.7
169.10205	1.0
179.08531	2.7
180.09467	0.9
181.10097	6.2
183.11670	1.4
185.13214	0.8
192.10214	8.4
193.10132	2.7
193.64214	0.7
194.10948	3.7
195.11687	3.3
196.09644	1.2
199.11205	1.3
204.09427	1.5
207.11765	1.0
209.13260	13.1
211.11212	2.5
213.09155	1.1
213.12807	1.0
219.11691	3.6
220.09689	5.2
221.13359	0.8
222.10304	1.2
227.14331	1.5
237.12729	30.3
238.10728	37.7
252.49928	0.8
255.13783	9.8
277.15979	1.2
297.14847	3.3
315.15887	2.7
322.33530	0.7
339.44302	1.0
360.78043	0.8
418.96890	0.7
634.29285	0.9
670.32178	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	670.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63118	0.8
57.94108	0.7
59.57602	0.6
62.50964	0.9
65.63591	0.8
68.53490	0.8
76.68829	0.7
79.05482	2.0
87.61866	0.8
91.05476	72.1
92.05796	1.2
92.14362	0.8
93.07034	1.0
103.05487	1.7
103.42687	0.8
107.04952	22.1
109.10159	1.1
119.04937	17.0
119.08573	4.2
131.08530	0.9
134.09653	23.8
143.08553	1.1
145.10083	1.7
149.05971	5.7
155.08611	0.8
159.55698	0.9
171.11760	1.2
194.11775	16.9
195.11702	1.4
209.13393	0.8
210.11240	100.0
211.11595	3.7
213.12769	0.8
248.86987	0.8
252.12384	3.3
297.18713	0.8
315.37057	0.8
341.19308	1.6
610.33374	5.4
670.35168	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	670.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97577	0.6
54.92150	0.6
56.52861	0.5
61.36276	0.7
69.47395	0.6
73.84904	0.7
79.05502	5.4
91.05474	3.2
103.61192	0.7
105.07024	1.3
107.04951	76.5
130.64717	0.8
134.09637	8.9
149.05969	17.2
157.10098	1.0
192.23849	0.8
194.11761	100.0
195.11951	4.6
210.11301	3.6
221.13271	0.8
236.12801	3.6
248.76668	0.8
271.17072	0.9
279.17627	0.9
288.77933	0.7
297.18289	0.8
608.16040	0.9
610.33411	5.3
665.84583	0.9
670.35419	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23923	1.2
59.04935	1.3
63.36972	1.3
74.04751	1.4
79.05488	8.6
84.48887	1.5
85.12284	1.7
88.47927	1.4
90.72775	1.3
91.05490	6.8
92.18469	1.5
93.07050	2.5
95.08623	1.9
95.48942	1.3
105.07038	11.3
107.04950	92.6
107.05679	3.0
107.08598	2.9
119.08569	14.7
131.04909	1.7
131.08531	10.0
133.10034	5.0
134.09641	24.2
135.08099	2.5
141.06993	2.8
143.08553	9.0
145.10114	3.3
147.08061	2.6
149.05951	20.4
155.08556	6.0
157.10132	7.1
159.08104	2.3
161.09587	1.7
164.59456	1.4
167.08557	2.3
169.10109	10.5
169.33020	1.5
171.11636	2.0
173.09576	2.4
179.08572	3.1
181.10091	8.2
183.11691	5.6
185.09560	2.1
187.11278	2.2
193.10144	6.7
194.11760	77.1
195.11696	8.1
199.11169	2.0
204.09291	2.0
206.10950	2.6
207.11668	3.0
209.13258	6.4
210.11255	1.7
217.10309	1.9
219.11761	6.0
221.13240	2.7
223.11162	2.1
231.11699	3.3
232.12488	2.5
233.13239	2.0
235.14894	2.9
237.12680	2.3
237.16417	2.1
242.62065	1.5
246.14078	6.5
251.17978	6.9
253.15767	1.4
261.16309	8.4
264.15186	1.7
279.17374	10.8
297.18497	6.5
339.19656	2.5
466.78058	1.6
610.33765	5.8
630.25854	1.5
652.34808	5.5
670.35797	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	670.359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67928	1.0
67.05532	1.3
69.07061	1.2
79.05514	8.2
81.07036	1.2
91.05475	5.7
92.18539	1.2
93.07047	2.4
95.08616	4.1
105.07014	11.6
107.04958	93.0
107.08601	5.7
119.08582	15.5
121.06485	2.4
121.10107	1.3
129.06985	1.3
131.04909	1.6
131.08568	8.0
133.10100	8.3
134.09654	27.7
135.08057	2.0
141.07005	1.4
142.07809	1.6
143.08519	10.0
145.10143	7.1
147.08055	2.4
149.05974	25.3
152.21672	1.2
155.08542	7.5
157.10120	8.6
159.08064	1.9
159.11725	1.6
161.09608	1.7
165.06937	1.0
167.08556	1.7
169.10167	9.2
171.11700	4.4
173.09630	2.4
179.08633	2.0
180.09377	1.2
181.10143	7.6
183.11734	4.4
185.09558	1.7
191.08493	1.3
193.10147	4.7
194.11783	91.2
195.11649	8.5
197.09628	1.2
197.13329	4.5
199.11133	1.2
200.63016	1.1
204.09473	1.6
205.10114	1.4
206.10840	2.6
207.11714	5.9
209.09666	1.7
209.13181	7.9
210.11264	1.7
211.11186	1.5
211.14766	1.1
217.10159	4.5
219.11766	7.4
220.12556	1.4
221.13319	6.5
231.11751	6.1
232.12514	2.5
235.14909	2.0
237.12761	1.7
237.16522	1.3
246.14061	7.3
251.18002	5.0
261.16409	10.1
267.18033	1.1
279.17526	9.9
297.18460	6.0
297.96332	1.2
339.19482	2.1
357.20407	1.4
399.21701	1.6
417.22824	1.4
459.23703	2.6
610.33661	6.6
635.20557	1.1
650.38586	1.3
652.34235	8.7
670.35828	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	670.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33667	0.6
51.60485	0.6
52.53753	0.5
55.79857	0.5
60.71717	0.5
72.04512	0.6
76.19508	0.7
79.05479	5.1
92.18555	0.8
107.04951	65.9
126.39659	0.7
134.09647	11.8
149.05975	15.7
157.10239	0.9
164.86641	0.7
181.10277	0.7
186.72112	0.7
194.11755	100.0
195.11798	0.8
221.13460	0.8
221.49948	0.6
236.12787	3.1
271.16840	1.1
287.14386	0.7
518.75098	0.8
610.33789	6.6
670.35901	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	670.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52305	0.6
55.05530	0.8
59.42884	0.7
72.04510	4.2
78.58986	0.8
79.05490	4.7
91.05476	1.3
105.07075	1.6
107.04957	62.0
107.08606	1.1
109.10184	1.1
119.08584	1.4
121.10111	1.4
129.06973	1.1
131.08534	1.6
133.24203	0.7
134.09607	8.2
135.10008	1.3
137.09604	1.2
143.08549	3.4
145.10101	1.1
147.08038	3.7
149.05978	15.7
155.08386	0.8
159.08171	1.0
161.09608	1.8
167.08507	1.0
169.10104	1.9
171.11635	1.3
179.08559	3.7
181.10100	1.2
183.83028	0.8
192.09332	3.5
194.11758	100.0
195.11742	3.1
197.09521	1.1
197.13072	0.9
206.10986	6.6
209.13206	1.2
211.14813	1.3
213.36716	0.8
221.13275	8.1
236.12833	10.9
251.17944	0.8
263.24799	0.9
279.17487	1.3
297.18414	3.5
315.19418	0.9
341.21091	0.9
364.93079	0.8
374.07916	0.9
670.35907	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	670.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.4
64.18829	1.6
79.05490	8.1
88.07632	2.1
91.05471	1.9
93.07076	1.6
105.07022	3.1
107.04949	100.0
129.06981	3.2
131.08559	2.6
133.36716	1.7
134.09645	28.6
141.33363	1.4
143.08548	3.3
149.05966	21.2
155.08548	3.0
162.73390	1.4
165.06946	2.3
169.10117	8.1
178.07771	2.0
179.08549	8.7
181.10201	2.3
183.11720	8.8
191.08615	3.6
193.10213	5.6
194.11771	69.6
206.10861	13.5
211.14813	10.7
215.70561	1.7
221.13255	23.0
223.14777	1.7
239.14279	8.6
299.16489	2.5
417.88336	1.7
441.93094	1.6
474.26196	9.2
492.27518	2.3
534.28540	71.7
552.29510	57.9
610.33667	20.9
670.35760	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	670.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47276	0.8
55.09151	0.8
72.04489	1.0
79.05479	5.5
91.05473	1.6
103.76800	1.0
105.07019	4.1
107.04954	69.5
118.41810	1.1
119.08549	2.2
121.10081	1.3
129.06999	1.1
131.04906	3.4
131.08508	2.0
133.10086	1.9
134.09634	16.7
137.06021	0.9
143.08553	2.4
145.10092	1.6
147.07968	1.3
148.97238	1.0
149.05980	19.2
149.09636	1.9
155.08531	2.3
155.41998	0.9
157.10063	1.6
159.08090	1.1
161.09592	2.2
165.06952	1.1
167.08511	0.9
169.10110	2.2
171.11610	1.5
179.08580	2.0
181.10149	3.7
192.09322	1.9
193.10092	2.3
194.11758	100.0
195.11655	4.2
199.11301	1.6
206.10847	7.0
211.14873	2.4
221.13293	5.9
236.12804	8.9
292.47311	1.0
297.18491	3.9
550.31885	1.2
610.33795	4.4
670.35852	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67446	4.9
60.08251	3.9
70.40583	4.2
79.05483	5.8
81.07071	8.4
91.05492	11.2
92.72903	5.3
93.07025	22.6
95.04966	10.1
95.08602	19.0
105.03383	21.2
105.07024	9.7
107.08564	22.1
109.10148	7.5
117.06979	9.6
119.08570	39.3
121.10117	5.8
132.15175	4.7
133.10132	100.0
135.08080	5.4
145.10147	52.0
147.11725	11.3
150.76735	5.4
159.11671	8.5
161.09602	5.5
163.11166	20.7
166.97621	5.0
169.10167	5.3
171.11697	10.3
173.13330	7.1
181.10022	8.7
195.11807	9.4
197.13272	9.5
199.72166	5.3
209.13245	22.3
223.14813	25.8
261.91537	5.4
265.19504	67.8
283.20532	8.6
289.15182	5.4
385.23895	18.2
460.56570	4.9
538.37579	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	670.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.6
70.89177	1.3
73.96291	1.4
74.28306	1.2
79.05483	7.2
88.07620	1.6
91.05455	5.7
93.07028	1.8
100.45840	1.5
105.07036	3.2
107.04949	100.0
109.07974	1.4
129.06969	2.2
131.08560	7.0
134.09647	32.6
143.08560	3.0
149.05945	17.2
155.08516	2.5
169.10101	3.0
179.08531	10.2
180.09349	2.1
181.10101	6.9
183.11728	9.2
191.08575	2.2
192.09444	2.8
193.10094	3.7
194.11760	82.9
195.11653	2.7
197.13289	1.8
206.10912	15.7
211.14767	15.5
221.13254	21.2
223.14771	2.3
239.14149	11.9
474.26285	9.7
492.27359	2.4
534.28497	76.2
552.29547	64.4
610.33978	18.4
670.35242	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	670.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86380	0.6
55.94392	0.5
56.56296	0.7
58.66482	0.6
64.12142	0.6
78.89907	0.6
79.05501	6.6
86.98035	0.7
88.62287	0.7
94.44930	0.6
105.07023	0.7
107.04951	84.3
108.35551	0.7
125.07557	0.7
134.09634	3.6
135.07991	1.2
146.42743	0.6
149.05963	18.1
194.11758	100.0
237.13002	0.8
239.14331	0.8
430.01355	0.8
457.59036	0.7
610.33807	1.1
670.35791	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	670.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	6.7
83.62836	0.7
91.05473	1.8
93.07038	1.1
105.07024	4.9
107.04953	94.3
119.08556	4.4
121.10143	1.8
131.08636	1.2
133.06471	5.4
134.09631	11.5
143.08517	0.9
145.10158	1.0
147.08064	6.6
149.05965	16.8
169.10165	1.0
181.10190	1.2
194.11765	100.0
195.11807	1.5
210.11198	1.3
229.57288	0.8
242.78091	0.8
290.80139	0.9
297.18686	1.5
550.31854	1.1
558.34058	1.0
610.33673	7.7
670.35681	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	670.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20990	1.0
53.05819	0.9
54.01590	0.9
54.16370	1.0
54.89590	1.0
65.01892	1.1
70.37598	1.4
74.79741	1.2
79.05495	6.2
91.05467	7.4
92.05835	1.5
92.17814	2.0
93.07074	1.4
95.08604	1.9
103.45895	1.0
105.07021	8.4
106.02929	1.4
107.04956	95.8
119.08569	7.5
124.03944	14.9
131.08495	2.1
133.10149	2.2
134.09651	21.8
135.07991	1.5
141.06934	1.4
143.08545	4.7
145.10109	2.3
147.08000	1.2
149.05991	21.2
155.08539	5.6
157.10098	2.7
159.08032	1.8
159.11618	1.5
161.09560	1.3
167.08640	1.5
169.10130	6.8
171.11627	2.2
180.09192	1.7
181.10089	2.7
183.11681	5.3
193.10120	1.6
194.11768	100.0
195.11732	5.6
197.09622	1.8
206.10960	5.2
207.11739	1.4
209.13225	2.1
210.11215	2.9
211.11536	1.8
211.14798	2.8
221.13297	6.7
236.12794	1.8
239.14349	12.1
279.17499	2.1
297.18631	5.1
363.66608	1.5
474.26358	2.8
492.27344	6.8
509.37970	1.2
534.28601	11.2
552.29669	12.9
610.33295	6.3
670.35693	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49240	1.1
51.93351	1.5
55.05500	1.5
60.81083	1.4
67.05508	2.0
67.70575	1.6
79.05499	11.8
81.07053	3.5
91.05476	10.9
93.07044	3.1
95.08592	1.8
96.63872	1.9
105.07050	11.4
107.04956	100.0
107.08587	9.7
109.10196	2.3
117.06969	2.4
119.08567	22.5
121.10179	1.7
123.08178	1.6
131.04897	1.9
131.08563	7.1
133.09227	1.8
133.10112	15.8
134.09651	53.7
135.08057	6.5
135.11644	2.4
137.09612	3.3
143.08530	6.4
145.10143	10.8
147.08092	2.6
149.05981	22.6
149.09610	2.2
151.11075	1.9
155.08528	3.3
157.10109	2.6
159.08034	6.8
161.09612	3.1
169.10130	7.2
171.11722	2.1
176.36633	1.7
179.08594	2.8
181.10167	8.6
182.10884	2.3
183.11676	6.4
185.13213	2.9
193.10266	2.2
194.11787	67.2
195.11725	7.7
197.13393	2.7
207.11642	2.8
209.13216	9.9
210.11237	3.3
211.14844	4.0
221.13153	2.1
222.14104	2.0
226.86923	1.7
231.11668	2.0
231.54793	1.7
237.12805	2.0
239.14421	3.3
251.17917	2.9
260.64618	1.7
261.16434	2.6
262.94147	1.6
279.17389	7.3
297.18616	8.1
417.22778	8.5
552.29828	2.2
592.32581	3.2
610.33765	59.7
647.70215	1.7
670.35834	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00159	1.2
60.20994	1.1
61.52290	1.1
84.06920	1.5
98.49737	1.4
103.23292	1.2
105.03399	10.4
105.07049	1.6
107.04955	21.8
108.05299	3.3
109.23484	1.5
119.08608	1.9
127.77125	1.5
134.09596	1.9
149.05968	8.0
169.10063	1.4
194.11803	24.3
195.12051	7.4
198.97937	1.6
207.11615	2.0
413.15820	2.1
489.20892	2.1
643.91809	1.5
671.26660	100.0
671.36395	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	672.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
74.17391	2.8
84.13712	3.2
85.71780	3.5
87.26170	3.6
93.46370	3.1
94.30656	3.2
95.04948	5.0
105.03387	100.0
115.31285	3.9
136.88248	3.1
154.75195	3.4
181.10089	5.3
183.11707	13.1
192.09268	6.0
207.11639	7.0
209.09563	4.6
211.11235	11.5
225.12769	12.6
235.11189	15.6
253.12282	29.0
271.13184	3.8
284.87534	3.9
295.13348	4.2
313.14423	7.9
331.13187	3.8
355.15070	7.4
357.14630	4.0
533.23541	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	672.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	7.3
69.84453	3.6
72.08144	9.7
72.17474	3.9
79.05499	5.6
90.56934	4.0
91.05452	8.9
93.07043	6.6
95.08605	6.8
105.07028	27.3
107.08546	9.2
115.08675	18.4
119.08595	22.2
120.08099	6.9
121.06493	6.4
121.10158	19.3
126.18927	4.7
129.06979	4.5
131.08557	5.4
133.06477	18.7
133.10146	28.7
135.07997	6.5
143.08565	20.0
145.06473	6.9
145.10133	9.3
145.78409	4.2
147.04466	4.4
147.08022	21.8
147.11742	5.1
149.05928	7.3
149.09610	5.5
151.07526	6.0
157.10139	16.7
159.08051	6.0
159.11653	7.1
161.09598	9.7
163.11217	7.4
167.08601	6.9
169.10132	8.5
171.08006	8.7
171.14938	6.0
175.07513	16.8
179.08617	5.0
181.10107	5.4
183.07957	6.7
183.11696	17.9
185.09604	5.4
187.11128	4.7
193.10158	15.0
194.11011	5.3
195.11632	9.4
197.09569	16.5
197.13264	5.7
199.14467	7.1
205.10194	6.1
206.10957	6.7
207.11649	35.1
208.12433	4.8
209.09473	4.8
209.13237	9.7
211.11171	19.4
213.12657	4.7
213.16023	5.8
219.11696	7.5
220.12393	17.7
221.13373	9.5
223.11174	5.0
223.14758	8.7
223.27618	4.2
225.12697	10.1
232.12444	6.7
234.14052	23.0
235.11185	9.9
235.14772	7.4
237.12775	24.7
244.12415	9.5
247.11142	6.8
247.14787	7.2
249.16327	45.8
250.35379	4.5
253.12300	9.4
253.15886	7.0
259.14813	20.6
262.13504	24.6
265.15918	6.0
267.17441	28.7
277.15851	100.0
295.16879	93.3
313.17996	10.0
331.18448	4.2
337.17923	23.2
355.19006	47.3
373.20074	15.4
397.20111	10.1
404.74191	5.3
407.70880	4.3
415.21173	25.7
417.19138	17.5
433.21921	5.2
457.22638	9.7
475.23230	18.7
517.24207	7.5
534.14752	5.4
535.25342	15.8
577.26025	16.3
593.39337	4.8
660.26630	5.0
672.44360	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	672.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85329	1.8
52.16145	2.5
66.09962	2.4
72.81287	2.3
77.06818	2.3
81.07056	2.9
81.75885	2.4
83.69237	2.2
87.42671	2.1
88.40835	2.4
91.05479	4.5
92.18498	2.8
93.07040	3.9
95.04978	3.7
105.07029	13.5
107.04996	2.8
107.08602	3.5
117.07054	3.3
119.08562	11.7
121.06515	5.4
123.08079	2.7
133.06441	3.6
133.10106	3.5
135.08116	3.5
143.08569	3.4
145.06506	4.2
147.08072	3.8
149.09613	3.3
157.10149	3.7
159.08058	13.8
161.09659	4.0
165.05574	2.4
165.06946	3.8
167.08585	16.1
169.10153	9.9
170.90814	2.7
171.08099	3.1
171.11577	2.5
177.09058	3.9
179.08553	12.1
180.09373	3.8
181.10098	12.4
183.11604	9.1
185.09622	6.1
192.09535	2.6
193.10132	14.6
194.10919	5.7
195.08101	4.7
195.11685	32.3
196.08957	3.3
197.09633	10.6
199.11156	3.0
204.09370	11.6
205.10263	3.1
207.11646	19.1
209.09550	5.2
209.13226	38.0
211.11153	26.6
213.12892	3.3
219.11694	25.9
220.12503	4.5
221.13268	4.6
222.10342	14.5
225.12733	13.0
227.14491	4.3
235.11180	5.4
235.14853	10.2
237.12727	100.0
239.10484	3.0
239.14278	3.3
248.93008	2.9
249.16335	22.7
253.12234	10.9
253.15833	4.4
255.13760	23.8
262.13666	4.5
265.15884	3.2
267.17438	16.3
277.15863	30.2
277.28430	3.0
279.13943	4.1
295.16937	35.8
297.14963	17.9
313.17993	12.3
336.62497	3.4
337.18024	12.3
355.18951	12.1
357.16940	22.2
388.44147	2.7
397.20264	3.8
399.17911	6.1
415.21130	4.8
417.19083	85.5
417.24628	3.0
441.01233	2.7
457.22043	19.0
475.23389	21.1
517.24280	12.2
535.25647	3.5
577.26611	2.8
672.26526	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	672.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51128	4.4
54.13204	4.6
56.18089	5.3
57.28745	4.8
66.64725	5.1
72.08141	8.7
83.04990	5.9
86.09715	8.9
86.42054	5.4
91.05482	7.4
93.07048	10.8
95.04964	6.1
95.08613	8.6
97.06550	7.0
105.07031	28.7
107.04974	7.3
107.08605	20.6
109.10153	9.0
115.08706	6.1
119.08575	26.6
120.08092	10.8
121.06514	12.7
121.10123	9.7
129.06993	9.0
131.08571	11.0
133.06499	26.7
133.10155	43.4
135.08011	7.5
143.08585	23.2
145.10127	23.7
147.08038	23.1
149.09674	7.9
155.08615	20.0
157.10100	23.4
159.08037	27.4
161.09671	6.8
163.11157	6.9
164.47768	5.7
169.10143	26.7
171.08089	6.8
171.14972	6.6
173.09608	12.1
175.07547	11.3
175.11261	6.1
177.52986	5.3
179.08643	6.1
181.10135	7.5
183.08069	6.0
183.11697	25.7
184.10670	6.1
187.11197	7.2
193.10161	24.1
195.11746	27.4
197.09662	19.3
197.13339	6.7
199.14551	11.7
200.63956	5.1
207.11598	39.1
209.09636	5.8
209.13287	13.0
211.11206	23.7
211.14891	6.8
219.11703	20.8
220.12477	11.0
221.13272	9.4
223.11267	10.3
223.14980	8.5
225.12753	25.1
234.14090	28.5
235.11208	27.3
235.14854	25.7
237.12793	24.6
239.17781	7.2
244.12427	19.4
247.11296	7.6
249.14014	8.6
249.16214	55.0
251.14342	8.9
253.12370	10.2
253.16022	7.8
259.14877	23.6
262.13535	21.8
265.15955	7.6
267.17422	37.5
277.15900	100.0
295.16977	92.9
313.18088	30.0
337.17944	28.8
355.18909	53.6
373.20166	12.1
397.20099	11.8
415.21094	29.2
417.18829	11.6
433.22263	5.9
457.22031	11.7
475.23239	11.7
512.31921	5.7
517.24713	6.9
535.25433	21.4
552.71527	5.6
577.26752	6.1
672.45258	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	672.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
74.49215	1.2
78.61472	1.3
79.05495	9.5
79.21136	1.2
81.07050	1.8
91.05440	2.3
93.07036	2.4
105.03379	6.7
105.07024	16.7
107.04956	100.0
112.55593	1.1
115.21707	1.2
119.08563	8.9
128.52429	1.5
129.07002	1.2
131.08546	2.6
133.06566	1.3
134.09653	7.5
141.06935	1.8
143.08545	6.5
149.05978	24.6
155.08556	8.1
157.10106	1.7
165.02936	1.4
169.10117	15.5
181.10182	2.0
183.11710	13.0
193.10063	1.6
194.11777	67.9
195.11658	9.2
196.12418	2.6
197.09612	1.6
197.13167	1.9
206.11032	5.5
206.51743	1.3
209.13298	2.9
211.14807	24.1
218.26143	1.4
221.13261	2.8
239.14328	6.0
357.20380	1.6
492.27438	1.9
594.42932	1.6
614.31085	75.6
672.35352	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32197	1.0
53.43879	1.1
55.05515	4.7
57.03429	2.5
57.07088	1.2
61.77217	1.0
65.03954	1.1
67.05181	1.4
67.05508	28.2
69.07066	6.2
71.05003	1.8
79.05488	27.6
81.07063	34.7
81.11082	1.5
83.04988	5.8
83.08622	5.7
85.06523	2.2
91.05484	23.8
93.07047	40.2
95.04955	7.4
95.08603	15.4
97.06530	6.3
100.21902	1.2
105.07039	14.7
107.04959	1.7
107.08585	18.3
109.06522	2.6
109.10133	2.8
111.08061	2.2
117.06989	5.3
119.08577	6.9
121.10143	10.3
123.08067	2.7
129.07004	5.6
131.08479	4.6
133.10129	9.0
135.07962	1.6
135.11690	6.6
143.08539	2.4
145.10123	5.0
147.11684	17.4
149.13255	19.1
159.11720	2.1
161.13229	5.4
169.10167	1.6
171.11705	12.7
177.12779	1.7
189.12675	1.9
192.20731	1.3
195.13853	1.5
207.13879	2.7
269.10141	1.5
269.17477	11.0
281.17456	20.7
475.30530	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20876	0.6
55.05506	6.0
57.03435	4.9
57.07077	48.6
61.02923	15.7
63.17082	1.1
67.05511	10.1
69.03424	1.1
69.07068	11.7
71.08628	46.3
73.02907	5.2
74.77059	0.7
75.04465	1.4
79.39531	0.7
81.07056	20.9
83.08156	1.2
83.08616	20.7
85.02903	20.7
85.10176	33.0
85.10691	1.3
89.06030	0.9
91.03959	21.1
91.04510	1.1
95.08599	37.8
95.40130	1.0
97.02875	10.1
97.10159	11.0
99.04422	1.2
99.11697	1.9
109.10142	22.4
111.11692	1.5
113.23486	0.8
115.03923	0.9
117.09116	1.1
123.11702	9.2
125.13248	1.0
127.03908	7.6
137.13235	4.4
145.04926	9.1
151.14796	1.0
162.43927	0.8
163.06004	10.0
170.73442	0.8
220.96783	0.9
221.22592	1.9
239.23712	10.4
257.24799	8.3
313.27338	92.1
331.28400	100.0
475.32593	8.2
637.38269	0.9
672.30078	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.03441	3.4
57.06825	1.9
57.07082	42.2
60.32333	1.6
61.02924	16.4
67.05505	6.5
69.07066	10.1
70.47559	1.3
71.08635	41.7
73.02913	5.4
81.07064	17.4
83.08627	16.7
85.02910	24.5
85.10184	25.2
91.03953	19.2
95.08610	39.1
97.02889	9.5
97.10162	9.1
99.11701	2.4
109.10139	20.9
111.11694	2.9
113.47198	1.3
123.11700	10.9
127.03911	3.6
131.62323	1.4
137.13274	2.6
145.04927	3.5
148.67953	1.5
163.06015	11.7
177.99585	1.6
239.23756	11.7
250.14485	1.5
257.24695	3.6
296.10587	2.4
297.10727	1.8
304.93170	1.7
313.27356	68.1
319.83719	1.4
324.13397	2.2
331.28409	100.0
672.28931	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	673.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58680	1.5
51.25006	1.5
53.03942	2.9
54.42245	1.6
66.84914	2.1
67.05533	2.4
68.77318	1.7
69.03412	1.9
69.07026	2.4
71.01327	2.6
79.05488	2.4
81.07056	2.6
91.05488	4.9
93.07030	4.8
95.04952	13.4
95.08598	3.4
103.05455	14.8
105.03392	100.0
105.04485	4.1
105.07024	16.4
107.04946	4.4
107.08572	3.2
109.06499	2.5
109.10189	1.8
119.04951	8.9
119.08568	14.2
121.06522	7.4
121.10160	20.9
131.04915	37.9
131.08537	3.1
133.06477	12.3
133.10114	8.2
141.35405	1.9
143.08577	4.8
145.10115	7.8
147.04387	3.3
147.08020	19.3
149.05992	10.5
149.09619	8.2
155.08534	3.2
157.10176	3.3
159.08006	21.8
159.11687	2.2
161.05981	3.8
161.09613	7.3
163.03859	13.7
163.58119	2.1
165.09134	11.2
167.08611	3.7
169.10112	9.1
171.08069	3.9
173.09608	3.6
177.09100	3.8
179.08485	3.9
181.10135	4.9
183.08022	3.4
183.11755	20.3
185.09612	4.6
193.10117	19.6
195.08093	3.4
195.11690	4.3
196.08815	2.4
197.09612	9.7
199.11218	3.7
203.07059	2.1
206.10909	3.1
207.11652	4.2
209.09608	12.3
209.13264	4.9
211.11142	32.5
213.09106	10.1
215.14279	2.7
219.11784	2.2
220.12407	7.6
221.13435	2.1
222.10210	2.5
223.11232	4.8
223.14841	8.0
225.09087	3.1
225.12724	2.7
225.16441	3.6
229.08797	2.9
233.13235	8.8
235.11111	2.1
235.14804	11.1
236.11996	4.1
237.09132	3.1
237.12683	9.2
238.38699	2.2
239.10689	11.1
239.14249	2.4
241.08554	2.7
241.15918	2.8
243.13919	2.9
246.10455	2.0
251.14320	9.6
253.15865	11.8
257.11746	3.6
261.12878	3.9
263.14450	3.1
264.11221	2.3
269.15326	4.1
271.16953	2.5
279.13824	10.2
281.15280	9.6
283.13177	2.6
285.11127	2.6
287.09103	15.5
297.14816	16.8
299.13010	4.0
299.16327	27.4
307.13278	15.1
315.15900	2.2
325.14365	33.1
343.15366	24.1
465.19070	78.4
655.33124	2.6
673.31787	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	673.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89755	2.0
79.05505	2.4
79.21247	2.0
81.07050	2.7
83.08637	2.2
91.05441	3.0
92.18522	3.6
93.07035	4.8
94.45631	2.0
95.04960	13.7
95.08607	4.6
105.03389	100.0
105.04453	2.9
105.07027	13.3
106.98865	2.4
107.08586	4.2
109.06586	2.8
117.07040	3.0
119.08569	9.9
121.06491	7.2
121.10130	2.7
123.08044	8.0
129.07106	2.6
131.08528	4.4
133.06485	9.7
133.10114	4.5
135.08032	10.4
137.05997	2.0
137.09618	3.6
138.48073	2.0
143.08572	12.5
145.06473	2.7
145.10126	11.5
147.08041	3.9
149.09550	2.5
155.08563	3.3
157.10104	12.2
159.08017	4.5
159.11728	2.5
161.09607	10.9
165.06964	2.3
167.08501	2.7
169.10049	4.8
171.08069	8.4
171.11665	3.3
173.09563	4.1
175.07555	4.9
180.09329	3.4
181.10156	10.4
185.09595	3.3
185.13206	2.7
189.12762	2.4
192.09317	2.6
193.10225	8.0
194.10844	2.2
195.11673	11.5
197.09642	4.4
197.13220	3.9
199.11163	4.4
201.12575	2.1
207.11722	12.8
208.12482	4.1
209.09587	4.5
209.13211	2.5
211.11136	3.6
213.12660	8.2
215.10548	2.9
215.14204	2.4
217.10173	3.1
217.12236	2.9
221.13330	4.6
222.14018	2.9
223.11153	8.5
223.14796	4.7
225.12708	4.9
232.12456	4.0
233.13203	2.6
236.11827	3.0
237.16406	9.0
239.14294	4.4
241.15868	2.7
247.14915	4.1
249.12888	3.0
250.13460	4.3
251.14232	3.5
265.15866	15.7
269.11780	2.5
275.14264	3.2
283.16791	4.0
293.15305	30.8
311.16382	41.5
329.17279	14.1
353.17368	3.9
371.18582	13.6
401.13937	2.1
431.20551	4.1
466.16559	2.1
673.26495	13.9
690.45856	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	673.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.7
61.91265	3.3
64.20761	3.0
64.79705	3.4
67.05473	3.3
69.55843	3.3
71.04996	31.8
76.98901	4.2
79.05470	4.1
80.68677	3.3
83.04972	7.3
85.02905	53.6
86.94866	3.2
93.07027	5.1
93.25267	3.4
95.04982	8.2
97.79288	3.1
98.32123	3.2
105.03388	100.0
105.06988	8.7
105.70339	3.9
107.08552	5.1
121.06502	6.8
121.10094	6.1
121.31416	3.5
129.05524	5.3
129.06877	3.7
133.06502	14.5
133.10120	6.9
135.08058	6.3
136.10661	3.6
137.09581	3.8
145.10136	5.0
147.08089	4.2
149.06024	6.4
149.09608	8.3
151.07532	6.6
155.08415	4.1
159.08127	3.7
161.06009	4.7
161.09610	5.9
169.10078	4.3
173.09595	6.2
181.09964	5.6
187.72566	3.8
192.09317	5.5
193.10020	7.2
195.11676	15.4
197.09604	4.1
199.11214	4.7
207.11708	15.4
211.11095	5.3
220.08894	7.4
223.11203	4.7
225.12653	5.3
225.16417	3.2
235.11017	5.0
235.14865	3.7
253.15883	5.2
265.15891	4.7
281.15445	6.7
291.13458	4.6
293.15295	8.2
296.54114	4.1
299.16595	13.9
309.14813	6.5
311.16455	6.6
327.15973	35.6
345.17004	15.7
387.18176	4.9
440.05872	3.4
474.95554	3.9
509.21701	8.0
540.04968	3.2
557.40729	3.9
566.33771	4.0
673.28394	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	673.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32044	1.2
55.05510	1.0
55.21029	1.0
61.16430	0.9
62.57701	1.0
69.07063	2.3
69.43889	0.9
81.07024	1.4
81.58111	1.1
82.78481	1.0
83.08605	1.5
91.05466	4.6
91.52258	1.1
93.07047	7.8
95.08611	2.6
103.05473	5.8
105.07048	8.6
107.08576	2.7
109.10159	2.6
109.46265	1.1
117.07069	1.2
119.08569	11.6
121.10149	6.7
129.07030	1.2
131.04939	24.6
131.08574	6.1
133.06631	1.2
133.10097	12.6
142.07780	2.1
143.08534	9.9
145.10095	5.7
147.11659	2.0
149.09485	1.1
155.08548	6.5
156.09247	1.4
157.10149	10.3
159.08081	2.0
159.11639	1.4
161.09554	5.0
167.08536	1.7
169.10097	11.5
171.11682	7.9
173.13315	2.2
175.11125	1.4
179.08571	2.1
181.10138	5.4
183.11684	11.5
185.26398	1.2
192.09254	1.3
193.10097	4.6
195.11703	2.4
197.09666	1.8
197.13293	4.8
201.12819	1.4
206.10890	5.4
207.11681	9.0
208.12596	1.9
209.13290	1.6
211.14740	1.8
220.12607	3.4
221.13211	11.9
225.12685	1.9
233.13333	4.1
234.14087	4.3
235.14790	1.9
239.14369	1.5
248.15460	8.5
253.19525	5.0
263.17950	22.3
281.19025	11.2
323.20279	2.0
327.45392	1.4
341.21277	1.8
465.22464	2.1
553.25427	8.5
562.03595	1.2
610.42474	1.3
613.27704	100.0
673.29834	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.317
Annotation	Unknow
Peak:m/z	Relative Intensity
75.46200	1.9
78.66652	2.0
79.68335	2.0
83.04974	2.4
91.05492	2.4
97.06490	2.4
105.03395	39.2
105.07028	13.5
109.06490	3.1
119.08589	5.2
121.06468	3.6
123.08047	2.9
131.08557	3.7
135.08037	5.4
143.08548	3.2
145.06454	2.7
147.08093	3.1
155.08562	3.9
157.10141	9.4
159.08047	4.5
165.07040	4.4
167.08536	18.2
169.10153	13.8
171.08116	4.1
173.09644	5.6
179.08540	13.3
180.09270	4.2
181.10107	18.4
183.11676	4.0
185.09593	3.2
193.10181	12.9
194.10901	17.0
194.14699	2.2
195.08046	4.8
195.11665	22.9
199.11224	2.9
204.09337	4.8
207.11685	12.9
208.08839	2.4
209.09731	4.0
209.13234	47.0
211.11188	15.0
219.11716	23.3
222.10474	16.0
223.11137	2.9
223.14624	2.3
225.12750	14.0
227.14249	4.8
233.13162	4.6
235.11095	3.7
235.14819	5.0
237.12706	100.0
249.16351	5.7
251.14168	2.4
253.12163	9.6
253.15843	5.1
255.13756	23.8
262.13565	3.4
267.17480	11.6
277.15900	20.5
279.13861	3.7
293.91678	2.4
295.16989	32.1
297.14801	10.5
313.17932	21.9
315.15884	68.8
331.19086	5.2
337.17975	3.2
355.18903	10.5
357.16992	50.1
373.20227	10.9
397.20490	3.6
415.21130	15.1
419.18637	9.9
433.22031	5.6
457.22266	3.8
475.23126	34.9
511.08731	2.4
676.77039	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	674.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51813	1.9
75.73111	1.8
79.05438	1.8
87.27121	1.9
92.98760	1.9
93.07033	2.4
95.04978	7.3
95.08604	1.8
105.03394	100.0
105.04486	4.3
105.07026	10.3
119.08548	7.6
121.06520	3.8
123.08077	3.0
129.06892	1.8
133.06491	8.0
133.09984	1.7
135.08046	6.8
143.08559	13.8
145.10120	9.4
151.07542	7.9
155.08539	8.0
157.10101	9.6
161.05933	1.8
165.07004	2.2
166.07979	1.8
167.08505	2.5
169.10104	9.6
171.11696	2.5
173.09666	2.1
179.08601	6.7
180.09274	3.3
181.10109	23.4
183.11693	19.8
192.09322	3.7
193.10129	18.5
194.10960	7.8
195.11667	28.8
196.08798	1.8
199.11020	2.5
204.09383	2.5
206.10988	3.9
207.11681	20.2
208.12421	2.0
209.09631	3.2
209.13237	15.5
211.11172	39.2
217.10104	3.1
219.11732	8.2
220.12479	8.5
221.13106	2.5
223.14911	2.9
225.12653	4.1
225.16397	2.5
229.10071	2.2
231.11748	1.7
232.12450	7.4
233.13266	3.8
234.14037	8.8
235.11180	7.6
235.14816	8.7
237.12759	11.3
239.17940	1.8
244.12444	8.0
247.14812	8.8
249.16344	12.0
251.14250	3.3
253.15721	2.5
255.13751	10.7
259.14868	3.9
262.13583	3.4
265.15784	2.7
267.17426	4.0
277.15808	19.9
295.16959	18.5
297.14780	17.6
313.17911	2.7
337.17883	15.4
355.18973	3.6
397.20145	37.4
399.19705	3.2
457.22217	11.1
459.21564	6.9
514.78705	2.2
515.52008	2.0
579.26007	20.5
597.26709	2.3
614.71887	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	674.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16800	1.7
61.17162	2.0
72.20537	2.1
91.05466	2.8
91.13013	2.0
93.07062	2.7
95.04958	4.6
95.08598	2.6
105.02670	3.6
105.03391	100.0
105.04492	3.3
105.07047	11.5
107.08562	3.3
121.06477	5.2
121.10165	2.3
123.08073	2.8
129.45604	2.4
133.06491	4.0
134.19948	2.1
135.08031	4.6
143.08562	9.0
151.07504	9.6
155.08652	3.8
157.10138	3.3
159.08139	4.6
160.42508	2.4
161.09570	15.7
165.07011	3.2
169.10095	2.7
171.08061	4.9
173.09541	3.2
179.08473	8.8
181.10095	9.1
184.08621	3.4
185.09546	2.9
193.10094	5.2
195.11723	10.5
197.09518	16.6
197.13315	3.0
199.11194	49.7
207.11766	9.8
209.09604	11.0
209.13095	2.3
210.10406	4.9
211.11186	58.0
221.13263	2.9
223.11168	11.3
223.15010	3.9
225.12726	33.3
227.10638	55.8
232.12494	3.4
233.13394	2.2
235.14755	2.5
237.12672	2.3
237.16275	3.3
241.12273	3.8
249.12788	2.8
251.14336	2.9
253.12354	19.9
263.14319	4.5
265.15884	11.8
271.13324	7.6
271.17578	2.4
275.14383	2.2
293.15402	12.6
311.16406	14.1
313.14316	83.6
329.17621	3.2
353.17789	4.4
371.18457	3.6
373.16443	36.4
415.19070	4.2
433.18851	4.8
454.69290	2.5
475.21143	10.2
493.22046	13.7
535.22949	4.8
689.46906	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	674.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81458	1.7
54.30123	1.8
69.03418	3.0
79.85210	2.1
81.02056	2.3
81.07040	3.1
91.05482	38.1
92.32958	2.0
93.07042	19.3
95.08583	2.5
105.07028	12.0
107.04931	3.4
107.08590	9.2
111.08040	2.9
119.04917	7.3
119.08588	19.1
121.10117	4.9
126.84537	2.1
129.06998	4.5
131.08556	9.2
133.06509	2.4
134.09633	13.2
135.08038	9.4
137.09598	3.4
143.08546	14.4
145.06439	2.0
145.10123	3.4
147.08029	8.8
155.08563	9.5
157.10110	9.6
159.08032	9.8
161.09634	3.9
164.10617	2.3
167.08598	4.3
169.10120	22.8
171.11696	8.5
173.09570	8.0
173.13255	3.1
179.08554	11.8
180.09286	2.1
181.10098	9.7
183.11664	11.9
185.09593	3.3
187.11076	2.4
192.09224	2.5
193.10152	12.0
195.11690	35.8
196.12447	3.1
197.09671	9.4
197.13264	13.8
201.12679	3.6
206.10915	24.6
207.11740	4.0
209.09691	3.3
209.13239	16.4
210.11295	24.3
211.11250	9.6
211.14818	41.6
213.12756	8.2
221.13268	60.7
223.14868	2.4
227.14258	2.8
237.12865	8.5
237.16400	3.8
239.14290	100.0
251.17918	7.9
255.13792	2.3
255.17456	3.0
257.15350	93.4
257.18054	3.4
261.16611	2.9
269.19037	8.7
279.17407	16.5
281.15372	14.3
283.90591	2.3
297.18430	19.5
299.16425	44.8
315.19574	14.0
339.19547	8.0
348.18158	2.2
357.20425	9.0
359.18427	11.7
375.21805	4.5
417.22681	13.3
556.27051	2.3
583.94086	2.5
674.33118	19.6
677.20636	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	674.3529
Annotation	veratridine
Peak:m/z	Relative Intensity
55.12444	1.0
59.77363	0.8
72.04515	1.1
72.87541	0.9
79.05497	1.5
81.07047	1.6
91.05473	79.2
93.07043	4.2
95.08591	1.8
97.06563	1.1
101.06012	1.1
103.05495	1.7
105.07022	11.4
107.04952	4.2
107.08594	5.4
109.06498	1.3
109.10185	1.6
111.08087	1.3
117.07040	1.5
119.04923	14.2
119.08567	18.6
121.06506	1.6
121.10146	8.1
123.08057	6.6
123.11710	1.8
131.08574	4.9
133.06509	1.8
133.10130	4.3
134.09644	35.2
135.08046	6.7
137.05972	2.3
137.09607	7.2
137.17178	1.0
143.08603	4.5
145.06491	1.6
145.10098	7.4
147.08000	7.3
149.09650	4.2
151.11203	2.4
155.08562	1.2
157.10153	5.1
159.07988	1.4
159.11676	1.3
161.09596	4.0
163.07542	1.8
163.11174	2.3
164.10712	4.7
165.09244	1.0
169.10158	4.9
171.11659	1.9
172.10942	1.1
173.09601	2.3
175.11201	1.0
179.10664	2.0
181.10194	1.8
183.11673	9.4
185.61612	0.9
189.09161	1.2
193.10321	1.4
195.11729	2.5
197.13263	1.9
199.11258	1.2
207.11714	1.6
209.13283	2.4
210.11249	67.7
211.11221	1.8
211.14877	3.9
235.14801	1.6
237.16325	2.3
253.15961	2.0
259.05753	1.1
265.15909	1.5
267.17532	1.1
281.15433	2.1
285.18707	1.5
287.16476	1.6
299.16528	1.4
313.17969	1.3
327.15948	5.0
345.16809	1.4
387.18079	1.2
480.52444	1.0
616.28302	1.2
642.32227	2.0
674.35303	100.0
691.69037	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	674.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25391	0.8
52.72514	0.6
53.43705	0.6
53.55645	0.6
53.95353	0.6
69.07069	1.2
72.04506	1.6
75.18775	0.9
79.05471	1.4
81.07055	1.3
91.05479	69.1
93.07034	3.9
95.04973	1.4
95.08576	1.4
101.06066	1.4
103.05441	1.7
105.07047	10.6
107.08603	4.8
109.06506	1.3
109.10163	2.0
111.08094	1.5
117.07028	1.4
119.04939	13.9
119.08566	17.2
121.06531	3.8
121.10147	5.6
123.08054	5.2
123.11712	3.6
131.08563	4.3
133.06483	3.4
133.10162	4.5
134.09645	31.4
135.08067	3.3
137.09630	5.4
143.08597	3.9
145.06552	1.2
145.10139	4.7
147.08064	3.6
147.11702	1.0
149.09634	5.6
151.11188	1.7
155.08543	3.4
157.10123	1.6
159.08075	1.0
159.11635	1.6
161.09702	1.6
163.07558	1.3
163.11208	1.1
164.10722	4.4
165.09065	2.1
169.10182	5.2
171.11722	1.7
173.09628	1.8
175.07588	1.2
179.10654	3.7
183.11630	6.9
185.09639	0.9
195.11732	1.5
197.09727	1.0
197.13254	1.7
207.11769	1.5
209.13217	1.6
210.11244	64.7
211.11215	1.4
211.14877	1.5
223.14784	1.1
237.16553	1.0
237.55125	1.0
249.16365	1.4
253.15953	1.5
255.17476	1.0
262.51624	0.9
267.17426	1.5
285.18518	1.3
287.16611	4.7
299.16428	1.4
313.18018	3.3
327.16055	1.8
327.19598	1.4
642.33655	1.4
656.33624	1.1
674.35382	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	674.3534
Annotation	veratridine
Peak:m/z	Relative Intensity
51.69392	1.0
76.09966	1.1
79.05486	1.7
81.07059	2.5
91.05479	100.0
93.07047	2.5
95.08611	1.9
103.05420	4.4
105.07040	14.5
107.04991	2.3
107.08569	4.5
108.63660	1.3
109.06570	1.6
109.10138	2.1
110.33997	1.3
117.07005	2.0
119.04916	19.4
119.08572	18.3
121.06531	2.4
121.10149	7.2
123.08070	5.0
123.11713	2.2
131.08591	2.7
132.74292	1.4
133.06532	1.3
133.10159	6.4
134.09660	28.9
135.08047	2.1
137.09656	4.1
143.08560	2.7
145.10158	5.1
147.08012	4.4
149.09651	6.6
151.11177	2.0
151.78941	1.3
155.08597	2.9
157.10158	1.7
159.08011	1.9
161.09595	5.1
163.07536	1.5
164.10707	1.3
169.10077	2.1
171.11746	2.3
183.11757	2.2
192.37878	1.2
197.13216	2.0
205.50192	1.3
206.10841	1.4
207.11687	1.6
210.11247	98.5
211.11334	1.9
223.14879	1.8
225.12776	1.7
225.16338	1.4
234.14207	1.4
237.16536	1.3
249.16429	1.9
267.17340	4.8
277.15860	1.5
287.16428	2.6
295.17035	2.0
313.17953	2.3
327.19470	1.8
656.34998	2.7
674.35394	59.8
674.46686	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	674.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55958	0.9
67.05489	1.2
71.42146	1.1
79.05474	1.3
81.07048	2.2
82.53467	1.0
85.02892	1.1
91.05481	100.0
92.83631	1.0
93.07050	1.8
95.04995	1.7
95.08585	1.5
103.05464	2.1
105.03400	4.4
105.07043	10.7
107.08583	6.3
109.06514	4.6
109.10157	2.1
111.08099	1.4
114.81702	1.1
117.06989	1.2
119.04940	22.8
119.08590	17.1
121.06514	2.5
121.10136	5.2
123.08089	1.5
129.06995	2.6
131.08594	5.3
133.10155	7.3
134.09651	32.2
134.10616	1.5
135.08061	1.4
137.09625	2.6
143.08542	2.1
145.10161	5.7
147.08064	2.4
147.11708	1.5
149.06030	1.0
149.09639	2.6
151.11209	1.2
155.08569	2.0
157.10159	6.3
159.08026	1.8
159.11771	1.5
161.09668	2.4
165.05423	1.2
168.09348	1.1
169.10074	3.7
171.11655	2.0
173.09656	1.2
181.10258	1.6
183.11746	4.3
185.13242	1.8
195.11736	3.8
207.11742	2.6
209.13167	1.2
210.11240	95.2
211.11192	1.9
211.14803	1.2
223.14838	1.5
225.12698	2.3
234.14133	1.8
249.16429	2.5
267.17596	4.0
269.15536	1.7
287.16458	2.6
295.16879	1.5
313.17892	2.2
327.19794	1.5
568.55206	1.1
584.69049	1.1
592.64124	1.2
620.83643	1.2
639.36053	1.1
642.32910	1.9
644.50073	1.3
656.34467	6.1
674.35400	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37842	0.7
55.05524	0.9
57.69838	0.7
65.82682	0.7
67.05504	1.8
69.04603	0.8
79.05516	1.3
90.75298	0.8
91.05475	100.0
93.07037	5.5
95.04969	1.6
95.08628	1.5
103.05451	2.2
105.07022	11.2
107.08584	3.5
109.10153	4.1
109.90070	0.9
111.08028	0.9
117.07004	1.7
119.04931	18.9
119.08575	20.5
121.06496	4.2
121.10149	8.2
123.08074	3.6
123.11704	1.1
129.07001	1.1
129.68947	1.1
131.08585	4.8
133.06583	1.1
133.10123	9.2
134.09659	27.1
135.08040	3.5
137.06075	1.0
137.09619	2.1
143.08569	4.8
145.10083	1.3
147.08026	4.2
149.09630	5.4
155.08540	1.5
157.10124	4.7
159.08047	1.9
159.11714	3.8
161.09613	3.8
168.09338	0.9
169.10146	2.1
171.11617	3.2
173.13210	1.1
175.11166	1.2
179.10651	1.6
183.11644	7.9
187.11096	1.0
189.12961	1.1
195.11667	3.6
197.13248	3.5
207.11780	1.7
209.13243	1.7
210.11240	99.6
211.11215	0.9
223.14807	1.8
225.12872	1.2
234.14058	1.8
239.17934	2.1
249.16342	5.2
251.14246	1.0
267.17487	5.5
269.15338	1.6
287.16449	1.9
295.16879	4.6
313.17712	1.0
327.19492	1.8
346.12701	1.0
355.18869	1.0
656.34290	4.6
674.35303	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
67.05491	1.7
79.05496	2.0
91.05480	98.1
93.07051	1.7
95.04987	1.4
95.08541	1.3
100.12188	1.3
103.05450	3.0
105.07037	10.9
107.04970	1.3
107.08594	2.9
109.06523	2.2
109.10139	2.7
117.07014	2.0
119.04951	23.2
119.08569	26.1
121.06507	1.5
121.10136	6.6
123.08062	1.5
131.08577	7.0
133.10120	8.4
134.09651	30.8
135.08064	2.5
137.09621	5.6
138.90359	1.3
143.08496	4.2
145.10153	3.2
147.08080	5.4
149.09625	5.2
157.10152	2.9
159.08061	1.8
159.11728	1.7
161.09642	2.8
169.10149	2.6
171.11607	1.9
173.09608	1.7
181.10118	2.0
183.11700	6.8
185.13268	1.5
187.11134	1.7
193.10193	1.4
197.13196	2.1
207.11746	1.7
210.11247	100.0
234.14128	2.6
239.17990	2.1
249.16287	5.3
267.17429	5.7
287.16174	2.0
295.16870	5.5
313.17892	2.0
327.19678	2.0
355.19022	2.9
357.20398	1.3
656.34674	3.1
674.24109	2.1
674.35400	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42439	0.6
92.17918	0.7
103.23559	0.6
119.04916	0.7
142.71582	0.6
147.04381	9.4
148.04774	0.8
157.07997	0.6
239.99704	0.6
264.34851	0.7
279.26758	0.6
319.23404	0.6
349.08917	100.0
367.09271	2.6
390.11404	0.8
425.34552	0.6
512.13818	0.7
643.31622	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	675.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44845	0.5
79.54807	0.5
84.21463	0.5
119.04925	1.2
119.73584	0.5
126.55045	0.5
132.24706	0.5
147.04401	6.6
153.34802	0.5
182.42218	0.6
203.05507	0.6
229.01697	1.1
346.40643	0.7
349.08926	100.0
367.08618	4.2
380.52008	0.5
418.88821	0.5
513.12335	0.9
675.17902	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	675.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59966	1.2
55.40233	1.2
61.34842	1.5
75.49916	1.3
81.24623	1.6
93.07022	3.4
97.00682	1.4
105.07026	7.2
107.08565	2.8
113.07635	1.6
117.07034	2.6
119.08598	2.9
121.06488	2.3
121.10120	2.1
123.08070	1.9
128.06194	1.6
131.08556	3.1
131.97697	1.5
133.06482	3.2
133.10172	5.9
135.08142	1.8
137.09576	1.6
145.10133	2.2
147.08086	2.0
149.06030	2.9
149.09552	1.9
151.07480	1.9
152.82915	1.5
155.08589	1.5
157.10143	2.6
159.07977	2.9
161.09558	2.8
167.08546	1.8
169.10144	2.7
173.09619	2.0
179.08545	2.2
181.10208	2.3
185.09734	1.7
192.12781	1.3
193.10123	3.4
195.11729	6.4
199.11200	2.8
205.10150	2.4
207.11839	2.6
207.15506	1.4
208.12529	1.9
209.09674	2.6
209.13278	3.3
211.11359	1.9
213.12700	1.6
217.10202	6.0
218.10857	1.4
220.12552	2.3
221.13213	1.8
223.11104	2.9
223.14775	3.2
225.12708	1.9
231.12070	1.4
232.12453	5.7
235.11177	2.3
237.12990	2.1
237.16377	3.0
239.14253	2.0
247.14845	2.5
250.13567	2.1
251.14369	2.6
265.15884	5.1
275.14407	1.5
293.15509	5.9
435.18219	1.8
487.91837	1.5
495.20306	4.6
555.21997	46.7
615.24158	51.6
637.67017	1.5
675.26196	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	675.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
53.61557	0.9
53.65272	1.0
54.03884	0.9
66.10934	1.0
76.48560	0.9
84.52759	1.1
92.18496	1.6
95.04964	9.8
105.03392	100.0
105.04514	5.1
105.07017	7.4
123.08089	1.3
133.06522	4.0
143.08597	2.0
145.06459	2.7
149.05965	2.1
151.07530	2.3
155.08594	4.3
159.07985	1.8
159.69583	1.2
161.09656	2.2
169.10109	5.3
173.09612	2.1
179.08600	2.1
181.10120	5.2
183.11691	1.4
193.10187	1.7
195.11687	5.5
196.08765	1.2
197.09686	4.3
197.13235	1.5
198.10434	1.7
199.11186	14.3
207.11761	4.1
209.09659	5.9
209.13130	1.8
211.11151	15.6
217.10326	1.4
221.13229	2.0
223.11218	2.4
223.14641	1.5
225.12766	7.5
227.10619	11.5
232.12508	4.4
235.11201	4.4
237.12703	1.3
247.14806	2.8
250.13687	1.4
251.14297	2.1
253.12347	9.2
260.12009	1.3
265.15912	2.7
275.14368	2.1
293.15289	10.3
308.66525	1.1
311.16406	6.0
313.14297	8.2
353.17517	1.6
373.16428	1.8
375.15555	1.7
415.19012	1.4
452.04041	1.5
471.85870	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	675.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88214	0.6
53.03959	3.1
59.56466	0.6
60.47464	0.7
68.70885	0.8
69.03432	1.2
75.27099	0.7
77.03946	1.3
83.31542	0.7
93.07021	0.9
94.96941	0.9
95.04961	10.5
105.03397	100.0
105.04537	4.2
105.07025	5.4
107.08607	1.2
109.06525	0.9
118.42415	0.8
119.08561	1.2
121.06557	1.4
123.07994	0.9
124.08645	0.7
131.08556	1.1
133.06512	5.3
141.06958	1.4
143.08542	3.2
147.59685	0.8
149.09627	1.2
151.07530	1.5
154.65109	0.7
155.08583	3.8
157.10320	1.1
159.08099	1.9
161.09668	3.8
165.06952	1.3
167.08513	1.4
169.10106	3.6
171.08072	1.5
171.11586	1.0
179.08549	0.9
181.10112	5.9
182.11035	0.9
183.08014	1.5
183.11703	3.2
193.10153	3.1
195.11726	5.7
197.09590	4.7
197.13243	1.6
198.10410	1.6
199.11203	12.2
207.11688	4.8
207.79524	0.8
209.09599	4.4
209.13191	1.4
210.10390	0.9
211.11186	17.0
217.10226	1.1
221.13229	1.2
223.11263	5.5
223.14783	1.1
225.12720	9.6
227.10658	11.0
231.11559	0.9
232.12367	1.5
233.09558	0.9
235.11096	1.3
235.14763	0.9
237.16217	1.3
241.12350	1.2
247.14888	4.2
249.12726	1.3
251.14331	2.0
253.12190	6.7
260.11914	1.2
263.10562	0.9
263.14404	0.9
265.15717	5.8
271.13297	1.8
275.14252	2.0
293.15369	9.7
311.16376	5.4
313.14273	12.0
373.16367	1.4
375.16245	1.2
395.60297	0.9
415.18970	3.5
433.20093	1.1
597.24017	1.2
603.76190	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	675.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45455	0.9
53.35482	0.8
55.48133	0.7
58.79306	0.8
61.03939	1.2
64.48220	0.9
67.05486	1.4
79.05485	2.0
83.01093	2.1
83.35001	0.9
91.05479	4.5
93.07044	6.8
95.04967	4.5
95.08591	1.0
101.17705	0.9
105.03389	16.0
105.07009	2.0
107.04964	1.7
107.08575	4.2
109.10117	1.0
117.07027	2.1
119.08553	9.7
121.10175	2.0
129.06970	1.5
131.08559	1.3
133.10124	22.6
135.08012	2.0
135.11620	1.3
136.57274	1.0
143.08560	1.2
145.10092	11.1
147.11684	5.5
157.10033	1.7
159.11661	2.2
163.11243	1.7
169.10118	1.4
171.11726	4.0
173.13243	1.2
181.10185	1.5
195.11760	2.0
209.13303	4.4
223.14865	3.8
231.06290	10.0
235.14922	1.1
265.19659	1.2
299.11566	1.0
407.22253	1.2
504.59747	1.2
615.29877	1.7
615.75983	1.0
675.31354	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	675.3527
Annotation	Gypsin B
Peak:m/z	Relative Intensity
51.50711	2.3
57.35461	2.8
63.72582	2.4
67.05505	4.0
96.49354	2.5
109.10146	16.0
112.77829	3.2
135.68619	3.2
151.11143	4.6
170.51579	3.6
175.11188	3.1
179.06985	19.9
191.07045	4.4
215.10684	5.7
217.12314	4.0
233.11681	23.0
245.11758	4.2
259.13348	2.9
289.14407	3.1
309.62576	3.4
335.20767	3.4
462.68466	3.0
541.36731	3.8
647.85767	3.7
675.35352	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	675.353
Annotation	Gypsin B
Peak:m/z	Relative Intensity
61.21423	1.3
61.81684	1.1
65.65069	1.3
67.73064	1.3
68.15472	1.2
69.07062	2.4
81.07046	5.4
84.75089	1.3
90.86465	1.3
95.08598	2.7
97.06528	2.9
109.06536	1.5
109.10159	12.1
119.08602	1.5
121.06487	2.1
123.08060	1.5
123.11726	1.8
129.21657	1.5
133.10155	2.9
137.05965	2.5
137.09648	6.2
144.04054	1.3
151.11217	9.8
161.05902	1.5
161.09653	3.0
163.07530	1.7
167.07083	1.8
171.11710	2.6
175.11194	1.7
179.07011	15.4
179.10683	7.5
187.11206	6.6
191.10822	2.3
195.06648	1.7
203.10699	2.2
215.10742	3.3
217.12418	2.3
229.12221	1.6
243.10161	1.6
256.32321	1.4
273.18481	1.9
289.14331	5.4
299.16470	1.6
303.12219	3.2
311.33008	1.6
311.36600	1.5
331.19110	1.6
348.23276	1.4
353.01984	1.4
395.40527	1.5
447.14655	1.4
634.37164	1.5
643.15887	1.5
675.35187	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	675.353
Annotation	Gypsin B
Peak:m/z	Relative Intensity
59.05000	1.2
75.87585	0.7
81.07072	0.9
81.86629	0.7
83.04974	0.7
95.08541	2.6
97.06532	1.7
99.08086	7.4
105.03417	0.9
105.07044	0.9
107.08598	1.1
109.10166	12.3
119.08511	0.9
123.08088	1.3
133.10196	0.9
135.08116	1.0
137.02299	1.0
137.09621	8.8
149.06030	0.9
149.09657	1.1
151.11166	8.4
161.09665	0.9
163.07573	3.5
165.09142	1.1
179.07033	33.6
179.10606	7.1
181.08696	0.8
187.07562	1.5
187.11079	1.2
195.06503	7.7
199.11142	0.8
201.09128	0.9
202.33916	0.9
203.06958	1.3
205.12166	1.4
213.09131	1.0
215.10692	4.3
219.10136	3.3
229.08539	1.2
229.12283	6.3
231.10199	1.4
232.10828	0.9
233.11755	3.7
241.12265	1.3
243.10202	1.8
243.13806	1.2
244.10942	1.7
245.11765	10.9
259.13232	1.3
261.11182	1.1
271.13336	3.3
271.16669	0.9
275.12875	3.7
282.27341	0.7
283.16763	0.8
289.14435	10.1
289.17609	1.2
295.16974	1.1
299.16614	1.7
313.18146	1.4
317.17523	3.5
331.19049	12.8
345.17227	0.9
596.69641	0.9
657.34711	1.2
675.35223	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	675.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.9
63.27982	16.2
67.05497	36.9
68.89858	13.2
69.03397	16.0
79.05493	64.6
80.47305	14.8
81.03423	24.2
81.07044	71.4
83.04965	23.9
85.02885	18.8
86.21912	15.0
91.05466	98.5
93.07042	100.0
95.04923	21.4
95.08615	60.2
97.06542	20.6
105.07024	75.1
107.08553	25.9
117.07011	20.8
119.08575	36.5
131.08583	76.2
133.06558	14.0
133.10196	21.1
135.07997	16.3
141.06915	20.7
145.10103	26.1
147.11639	25.2
149.09785	17.9
161.13321	13.7
171.11723	28.2
197.13263	22.8
209.98834	14.3
281.17499	35.7
513.32092	31.4
675.38892	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	676.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24426	2.3
59.67949	2.4
59.72896	2.5
60.04516	11.3
70.06581	6.6
79.07825	2.5
79.41535	3.0
87.19194	3.4
107.04958	5.5
147.04448	5.3
153.05461	3.5
177.05461	4.7
190.77342	2.8
192.07819	5.0
212.69731	2.7
271.05997	17.5
282.11285	16.7
297.11215	6.4
340.11740	29.6
354.61597	3.2
506.13922	2.9
508.15826	4.7
530.17999	3.2
551.80658	2.9
567.69238	2.9
676.23810	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	676.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
60.13856	1.8
69.03419	2.4
71.01333	2.3
73.02911	9.5
79.05494	3.9
80.66376	1.6
81.07081	2.5
91.05484	3.0
93.07029	22.6
95.04948	2.3
95.08604	7.6
97.02872	8.4
105.03371	9.6
105.07060	16.4
107.04944	7.1
107.08605	11.0
109.06498	8.2
111.08109	1.8
119.08585	6.2
121.06497	13.8
121.10141	96.5
123.04340	2.0
123.08084	6.8
131.08563	4.1
133.06483	13.4
133.10129	3.3
135.08018	2.6
139.07478	2.1
143.08611	2.5
145.10075	2.3
147.08054	8.1
149.06004	10.8
149.09618	100.0
151.07547	3.4
151.11166	2.8
157.10022	2.2
159.08043	21.3
161.09589	8.8
167.07065	7.3
167.08734	1.5
173.09624	7.1
175.07542	4.4
175.11087	3.3
177.05479	2.3
177.09099	18.6
179.10529	3.3
183.11763	2.8
185.09650	1.8
187.11191	8.2
189.09088	2.9
193.10146	2.1
197.09631	2.7
199.11261	2.1
201.09149	2.4
205.12164	2.6
211.11148	6.9
213.09186	1.9
215.10681	3.5
220.12366	2.1
223.11198	2.1
225.09129	1.9
227.14305	3.8
229.12256	3.7
237.12735	2.3
251.14194	2.3
253.15891	7.0
255.13887	7.9
263.14243	7.3
271.16730	2.0
281.15363	6.4
283.16891	2.0
291.13831	2.4
299.16446	8.8
309.14926	12.2
315.15414	1.9
325.14340	3.0
326.14838	6.8
327.15909	40.1
345.16989	32.8
363.17896	3.7
387.18051	8.5
405.19049	70.9
424.04208	1.7
427.34747	1.8
444.88736	1.7
466.19394	7.1
477.21030	2.8
509.71793	1.9
537.23456	14.0
653.58740	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	676.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
56.31282	1.0
59.04979	1.2
63.90479	1.1
79.05494	11.4
82.10704	1.1
86.71087	1.2
91.05466	6.5
91.48322	1.4
92.48606	1.2
93.07027	2.2
95.04962	2.5
95.08639	1.7
105.03394	19.7
105.07022	8.5
107.04952	100.0
119.08565	4.7
120.08114	23.8
129.07007	1.3
131.08568	2.4
136.07564	8.0
141.07007	1.4
141.13205	1.5
143.08531	5.3
147.08002	1.2
149.05972	24.7
155.08534	6.5
157.10104	2.3
167.08542	2.3
169.10123	7.8
178.08722	1.7
179.08594	10.5
180.10214	59.8
181.10109	2.4
183.11671	7.4
185.13342	2.0
191.08560	6.4
192.09335	2.5
193.10097	7.1
195.11697	6.3
196.12457	1.5
205.10156	2.3
206.10887	26.5
209.13248	2.2
211.14871	10.7
213.12727	2.3
221.13232	38.9
239.14275	14.0
281.15460	1.6
297.18454	2.2
460.24478	9.3
521.18481	1.5
582.28461	43.6
600.29456	30.7
658.33612	3.0
676.34894	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.5
55.32644	2.9
55.36345	3.1
56.05038	7.5
61.80252	3.4
64.75623	3.2
67.05486	7.1
69.03436	4.3
69.07053	6.9
74.06087	92.1
76.04000	8.9
81.07059	29.0
83.08622	6.5
84.04515	14.3
85.02917	6.8
91.05474	14.8
93.07034	23.0
95.08615	38.7
97.06527	4.5
97.10148	7.0
101.23812	3.4
102.05535	5.9
103.25153	4.0
105.07040	21.4
107.08573	21.3
109.10158	35.6
109.32606	3.9
111.08063	5.1
112.07567	5.0
113.07124	5.6
119.08561	52.6
121.10144	16.7
123.11758	16.2
125.05957	6.3
131.08157	27.6
133.06079	41.2
133.10110	22.9
135.11697	6.9
137.09625	22.0
143.07033	4.4
147.11708	29.2
149.13275	15.5
153.06564	14.0
158.08121	7.6
159.07655	32.4
161.13188	7.1
163.14803	22.9
175.11122	8.0
186.52458	4.3
189.16431	21.8
193.12218	17.0
203.56544	3.8
207.17470	6.0
217.22847	3.7
228.09764	8.0
234.10901	20.8
256.15277	3.9
318.24390	5.5
364.24597	7.3
382.25778	4.6
496.30240	100.0
514.31293	95.6
518.29498	7.3
658.35272	38.5
676.36401	95.3
676.46716	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	676.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48874	0.9
64.89912	1.0
67.05477	1.5
72.04529	1.4
79.05489	2.0
81.07069	2.5
91.05476	95.3
93.07043	4.3
95.04952	1.9
95.08594	2.6
103.05449	2.2
105.07023	10.1
107.08592	6.8
109.10124	2.2
110.62296	1.0
117.06985	2.3
119.04925	20.8
119.08561	15.4
121.06498	1.4
121.10139	6.2
123.08062	5.6
131.08585	4.8
133.10144	12.2
134.09647	38.7
135.08037	4.3
135.11688	5.7
137.09575	1.7
143.08578	7.5
145.06461	2.6
145.10109	5.6
147.08037	1.5
149.09622	2.6
155.08511	1.8
157.10133	5.9
159.11674	1.9
161.09717	1.3
163.07607	1.2
163.11150	1.8
164.10704	5.6
169.10149	2.6
171.11673	5.6
173.09627	1.5
177.09059	2.3
179.08595	1.6
181.10144	1.5
183.11673	6.8
185.13237	2.2
193.10085	1.5
195.11740	5.2
197.13248	1.8
207.11830	1.3
209.13268	6.8
210.11241	100.0
211.14803	2.1
213.12657	1.5
221.13129	1.2
223.14886	1.5
225.16473	1.5
234.13974	2.6
239.17851	1.4
242.51718	1.2
249.16376	2.1
251.17957	4.9
255.63145	1.3
267.17438	1.4
269.18967	2.5
271.16901	1.7
279.17490	1.5
297.18527	2.0
311.20117	1.1
371.22327	1.5
418.94345	1.3
598.33881	9.1
626.33258	13.6
658.35870	21.1
676.25336	1.7
676.36725	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37053	0.8
63.33161	0.8
65.03910	1.2
65.05951	0.9
67.05489	2.0
68.80885	1.0
69.07056	1.0
72.04483	2.1
79.05457	1.6
79.34132	1.1
81.07030	1.5
88.92940	1.0
91.05476	93.7
93.07002	2.2
95.04865	0.9
95.08595	5.1
97.06547	1.1
100.89294	0.8
103.05438	3.9
105.07011	9.1
105.23391	1.0
107.08590	6.9
109.06491	1.0
109.10143	3.9
117.06968	3.6
119.04914	16.7
119.08583	16.3
121.10133	9.3
123.08067	1.9
123.11671	1.1
131.08582	4.7
133.10104	8.0
134.09644	41.5
135.08041	2.1
135.11658	3.8
137.09610	1.3
143.08539	4.5
145.06453	1.4
145.10092	5.8
147.07935	1.5
147.11717	1.7
149.09613	4.1
155.08484	1.7
157.10121	6.6
159.11739	3.3
161.09685	1.5
163.07497	1.2
163.11189	3.9
164.10703	4.0
169.10083	4.6
171.11691	5.7
174.40375	1.0
176.21634	1.0
181.10153	2.0
183.11668	6.3
184.43715	0.9
185.13173	1.4
185.81345	1.0
193.10182	0.9
195.11699	4.6
197.13310	1.9
198.93878	0.9
199.11081	1.2
207.11787	1.2
209.13217	6.3
210.11230	100.0
220.12494	1.1
221.13272	1.3
224.15598	1.0
230.49348	0.9
234.13947	1.7
236.15633	1.2
247.53113	1.0
249.16348	3.9
251.17911	4.9
261.16177	1.1
269.18930	2.2
270.01160	1.0
271.17081	1.6
272.78427	1.1
279.17270	1.8
281.18954	1.2
297.18402	3.7
333.76599	1.0
394.20688	1.2
413.22842	1.2
494.66205	0.9
598.33771	9.7
626.32825	15.7
640.34052	1.2
658.35760	18.1
676.37048	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48874	0.9
64.89912	1.0
67.05477	1.5
72.04529	1.4
79.05489	2.0
81.07069	2.5
91.05476	95.3
93.07043	4.3
95.04952	1.9
95.08594	2.6
103.05449	2.2
105.07023	10.1
107.08592	6.8
109.10124	2.2
110.62296	1.0
117.06985	2.3
119.04925	20.8
119.08561	15.4
121.06498	1.4
121.10139	6.2
123.08062	5.6
131.08585	4.8
133.10144	12.2
134.09647	38.7
135.08037	4.3
135.11688	5.7
137.09575	1.7
143.08578	7.5
145.06461	2.6
145.10109	5.6
147.08037	1.5
149.09622	2.6
155.08511	1.8
157.10133	5.9
159.11674	1.9
161.09717	1.3
163.07607	1.2
163.11150	1.8
164.10704	5.6
169.10149	2.6
171.11673	5.6
173.09627	1.5
177.09059	2.3
179.08595	1.6
181.10144	1.5
183.11673	6.8
185.13237	2.2
193.10085	1.5
195.11740	5.2
197.13248	1.8
207.11830	1.3
209.13268	6.8
210.11241	100.0
211.14803	2.1
213.12657	1.5
221.13129	1.2
223.14886	1.5
225.16473	1.5
234.13974	2.6
239.17851	1.4
242.51718	1.2
249.16376	2.1
251.17957	4.9
255.63145	1.3
267.17438	1.4
269.18967	2.5
271.16901	1.7
279.17490	1.5
297.18527	2.0
311.20117	1.1
371.22327	1.5
418.94345	1.3
598.33881	9.1
626.33258	13.6
658.35870	21.1
676.25336	1.7
676.36725	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11840	0.9
53.74503	1.1
57.03438	1.4
59.65383	1.1
72.76876	1.1
76.09658	1.3
81.07066	1.3
99.06797	1.2
123.04412	18.3
127.03915	36.9
131.04933	1.2
135.04416	28.6
139.02812	3.2
139.03889	73.2
147.04414	2.6
149.06004	1.5
151.03911	2.4
159.04431	1.5
161.06000	2.7
163.03889	70.2
165.05472	23.3
177.05424	1.6
179.03391	7.7
179.06932	1.6
181.08582	94.1
187.03951	2.6
203.06990	2.1
205.04924	2.6
207.10106	11.0
221.08035	2.5
225.11194	14.6
229.04974	2.2
235.72440	1.3
243.06299	1.6
247.09726	1.5
255.06558	2.6
259.06061	1.9
269.04291	1.6
271.06030	6.7
273.07599	5.2
283.06021	18.8
289.07059	5.1
299.05426	5.1
301.07047	6.3
311.09119	5.6
325.10648	16.1
327.08618	7.7
327.12216	2.0
341.10269	1.5
343.11670	24.1
345.13217	2.4
351.11960	1.9
355.11621	2.7
369.13354	15.1
387.14352	100.0
463.13617	1.9
507.16153	6.1
525.17554	5.3
651.34247	1.3
677.22211	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	677.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44751	3.1
57.03428	5.7
69.03428	13.2
72.77429	3.3
73.02914	28.5
79.05505	6.0
81.03429	7.1
85.02909	4.3
91.05496	7.3
92.57795	3.7
93.07046	29.9
95.04967	19.7
95.08591	6.3
97.02859	8.3
105.03397	100.0
105.04504	6.9
105.07015	25.5
107.08588	7.9
109.06538	6.1
111.08060	5.6
119.08571	6.9
121.06480	17.7
121.10129	18.7
123.04404	4.7
123.08038	14.0
125.79086	3.3
131.08562	7.5
133.06479	32.9
133.10088	6.9
135.08046	7.4
137.05945	13.3
137.09618	6.1
141.08998	3.6
143.08554	5.3
147.08008	8.2
149.05887	10.5
149.09601	13.4
157.10164	3.7
159.08057	7.3
161.09689	6.2
169.10109	8.5
171.11713	4.2
175.11165	4.4
177.09065	6.5
179.07011	3.5
181.10054	5.4
185.09544	6.5
187.07562	3.8
193.10155	4.1
197.09564	5.7
207.10110	5.4
211.11212	14.1
213.12721	5.2
216.12553	3.5
223.11208	7.8
235.14799	3.5
239.10638	5.6
239.14429	4.7
253.15981	6.8
263.14325	5.4
281.15369	19.3
299.16211	5.3
309.14990	13.3
327.15900	37.2
345.16916	41.9
363.18115	14.7
381.97604	3.6
391.85419	4.4
432.16483	3.9
495.22018	5.4
545.84204	4.6
575.27606	4.3
677.26782	4.0
677.37061	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	677.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15379	0.8
58.63229	0.5
71.56195	0.6
75.33293	0.6
84.37022	0.7
95.64978	0.6
123.96087	0.6
136.29333	0.7
160.40585	0.7
161.48253	0.7
205.63853	0.7
207.12061	0.8
209.09534	0.9
212.79897	0.7
223.07564	1.4
237.09149	4.6
237.12706	2.7
247.07581	1.1
253.30771	0.8
254.09322	4.9
255.10097	2.6
265.08588	4.1
268.10809	1.3
269.11673	3.1
278.13010	0.8
279.10727	0.9
279.13577	5.0
281.08066	4.0
281.11743	2.7
282.12671	0.8
293.15369	1.3
295.13376	1.3
296.10419	15.6
296.14035	4.2
297.11279	8.8
297.14578	1.2
307.13379	1.2
309.11258	4.0
324.13541	10.8
325.14130	0.7
339.15894	100.0
606.15375	0.7
635.29779	4.1
659.29663	1.3
677.30750	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	677.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03436	1.2
58.98741	0.5
61.02924	4.5
66.29676	0.5
67.05505	12.8
69.03427	1.0
69.07053	2.4
73.02903	3.2
79.05491	7.8
81.03391	2.2
81.07063	13.7
83.04983	0.6
83.08607	2.1
85.02899	6.9
86.47710	0.6
91.03942	5.9
91.05459	3.5
93.07047	12.5
95.04955	1.2
95.08598	11.5
97.02882	3.7
97.06499	0.9
97.10116	0.6
99.04434	0.8
101.02377	1.3
105.07034	3.9
105.89347	0.5
107.08598	8.0
109.10141	5.4
117.07038	2.2
119.08588	3.1
121.10123	8.8
123.11700	3.0
127.03900	2.8
129.06955	0.8
131.08569	3.5
133.10130	3.4
135.11679	7.0
137.09642	0.7
137.13319	0.6
138.79440	0.7
145.05003	0.7
145.10147	3.1
147.11731	4.7
149.13261	5.1
159.11687	3.8
161.13246	3.6
161.91367	0.6
163.05956	0.6
163.14818	2.4
171.11697	1.2
173.11790	0.6
173.13313	3.3
177.12775	1.1
187.14804	1.3
213.98592	0.6
235.13094	0.8
243.08409	2.5
243.21092	3.7
261.22058	9.7
281.17343	0.7
335.25781	4.0
353.26859	9.0
380.02945	0.6
453.20871	8.4
465.20920	7.7
497.30878	1.0
517.60138	0.6
566.25635	0.7
677.35052	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	677.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50939	0.8
57.03440	1.0
61.02922	2.3
67.05499	7.6
73.02898	1.6
79.05485	4.7
81.07054	8.7
83.05001	1.0
83.08655	1.3
85.02880	4.2
91.03945	4.6
91.05458	1.5
93.07031	6.9
94.12148	1.1
95.08590	1.6
97.02853	2.3
101.02396	1.1
103.20535	0.9
105.07025	2.1
105.92849	0.9
107.08605	4.9
109.02944	0.9
109.10143	1.1
119.08611	1.3
121.10103	1.6
127.03905	1.1
133.10083	1.4
147.11642	1.7
149.13251	4.4
159.11655	1.2
242.54132	1.2
243.08392	1.5
247.13219	1.8
249.25284	1.1
353.27084	1.5
453.20895	9.2
465.20959	8.4
531.19434	1.1
677.35028	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	677.3682
Annotation	Dianthin C
Peak:m/z	Relative Intensity
62.75143	1.3
67.05480	1.2
69.07067	2.4
79.05483	2.5
81.07049	3.2
93.07033	2.0
99.08085	5.5
99.12633	1.3
105.06998	3.3
107.08621	1.7
109.10158	6.9
121.06480	2.7
121.10188	2.0
133.10152	2.6
135.08066	2.3
137.09621	6.5
138.00386	1.4
149.09596	1.8
151.11195	7.4
161.09634	1.8
163.07579	2.4
163.11215	2.2
165.09216	1.9
167.06903	1.4
171.11656	3.3
175.11237	1.7
177.12801	1.6
179.07047	8.9
179.10693	2.7
184.34691	1.3
187.11243	5.6
199.11244	2.3
201.12651	1.7
205.12302	3.2
213.12813	2.3
215.10690	2.0
223.78349	1.9
241.12196	1.9
243.10181	2.3
245.11732	5.7
253.12277	1.9
255.17361	1.7
271.13312	1.3
273.18488	2.7
289.14395	6.6
315.22589	1.5
554.19916	1.5
677.36798	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21590	0.3
67.44934	0.3
107.85558	0.3
109.20152	0.3
109.25234	0.3
120.43044	0.3
145.19887	0.3
148.98283	0.3
161.89839	0.3
165.50749	0.3
185.04251	1.5
195.01392	0.4
203.05246	2.8
208.14279	0.3
259.07855	2.2
347.09491	2.6
365.10602	4.8
421.13110	1.6
515.25635	0.4
515.31897	30.8
677.37170	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	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13158	0.4
59.10957	0.4
68.05196	0.5
73.94681	0.6
79.59579	0.5
93.13980	0.5
128.79250	0.5
185.04236	0.7
188.53481	0.5
222.37886	0.7
230.44212	0.6
301.00516	0.6
347.09457	2.4
515.31903	37.8
676.58185	0.6
677.37231	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.0
57.07073	4.0
61.02933	17.3
61.45626	4.1
64.88668	3.8
67.05508	72.6
69.07069	18.1
73.02899	17.1
79.05483	40.9
81.07058	99.8
83.08612	18.6
85.02901	32.5
91.03946	32.2
91.05472	24.0
93.07044	61.5
95.08601	75.4
97.02882	18.7
98.12284	4.3
105.07015	10.4
107.08593	47.0
109.10173	35.9
117.06956	5.2
119.08588	24.5
121.10142	54.2
123.11722	21.4
127.03909	7.4
128.72418	4.7
131.08527	26.4
133.10114	27.6
135.11699	41.5
145.10132	25.9
147.11676	26.4
149.13266	21.6
159.11700	22.6
161.13196	11.3
163.06033	9.8
163.14783	10.4
166.40086	4.6
173.13275	23.2
187.14792	8.2
226.14862	4.7
243.08504	5.2
243.21004	27.4
261.22119	83.7
335.25867	31.4
349.94037	5.1
353.26801	79.7
453.21225	5.9
497.30927	10.9
677.34900	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	678.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61887	0.3
53.71077	0.3
62.61049	0.3
76.02226	0.8
79.05457	0.4
81.07051	1.4
83.27708	0.3
84.04499	0.7
95.08596	0.5
96.59594	0.3
100.30537	0.4
107.04966	0.6
109.10174	1.9
113.04229	0.4
119.04932	2.1
123.03561	0.7
123.04424	19.7
123.05330	0.6
123.08048	0.5
127.03925	0.5
130.06865	0.6
135.04436	0.6
139.03914	2.3
139.91823	0.3
145.10167	0.5
147.04399	16.6
147.38467	0.3
149.05995	1.8
149.09619	1.4
151.03899	73.6
153.05457	0.4
154.04396	0.3
161.06003	0.5
162.02193	1.3
163.03920	2.4
165.05460	12.3
177.05464	5.2
177.09114	1.7
179.04874	0.4
181.04948	1.2
181.08659	0.5
184.09827	0.5
193.05066	1.2
195.10104	1.3
201.09024	1.6
207.06543	1.8
207.10074	0.7
219.10150	100.0
249.11244	0.5
303.08658	2.1
308.09137	2.6
371.14865	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61887	0.3
53.71077	0.3
62.61049	0.3
76.02226	0.8
79.05457	0.4
81.07051	1.4
83.27708	0.3
84.04499	0.7
95.08596	0.5
96.59594	0.3
100.30537	0.4
107.04966	0.6
109.10174	1.9
113.04229	0.4
119.04932	2.1
123.03561	0.7
123.04424	19.7
123.05330	0.6
123.08048	0.5
127.03925	0.5
130.06865	0.6
135.04436	0.6
139.03914	2.3
139.91823	0.3
145.10167	0.5
147.04399	16.6
147.38467	0.3
149.05995	1.8
149.09619	1.4
151.03899	73.6
153.05457	0.4
154.04396	0.3
161.06003	0.5
162.02193	1.3
163.03920	2.4
165.05460	12.3
177.05464	5.2
177.09114	1.7
179.04874	0.4
181.04948	1.2
181.08659	0.5
184.09827	0.5
193.05066	1.2
195.10104	1.3
201.09024	1.6
207.06543	1.8
207.10074	0.7
219.10150	100.0
249.11244	0.5
303.08658	2.1
308.09137	2.6
371.14865	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38710	2.3
55.93773	1.9
66.24828	2.0
66.29883	1.8
71.40996	2.1
79.05499	4.8
107.04955	100.0
109.10114	2.8
129.05190	2.6
134.09673	2.6
149.05943	24.5
158.81841	2.6
169.10112	2.3
181.27354	2.1
183.11678	2.6
194.11761	65.2
195.11679	2.8
207.11717	3.1
211.14833	5.4
221.13200	3.3
223.14871	2.9
239.14273	8.2
241.93571	2.3
552.29468	18.4
662.66309	2.5
678.40002	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15314	1.2
53.25416	1.0
60.46151	1.0
67.05448	1.3
71.05291	1.0
77.67346	1.2
81.03421	2.0
86.99138	1.3
90.51228	1.3
92.18503	3.1
93.07054	1.7
105.03392	24.9
105.07019	2.2
119.08544	1.8
135.08055	2.0
145.10092	1.8
155.08569	2.8
165.06979	1.6
167.08521	8.4
169.10091	12.8
173.09558	1.9
176.98512	1.9
178.07771	2.2
179.08495	12.0
180.09399	5.0
181.10144	8.7
183.11601	1.9
187.00641	1.9
189.06894	1.3
191.00217	1.9
191.08620	6.4
193.10138	18.4
194.10898	9.3
195.11620	11.3
197.09534	1.5
197.13290	1.4
201.02200	1.5
202.07851	1.3
203.08553	7.6
204.09335	42.6
207.11719	6.9
209.09512	1.7
209.13258	22.5
211.11143	11.7
219.11678	100.0
220.12492	4.7
220.88847	1.3
222.10391	5.1
225.12717	6.1
227.14394	1.5
235.11188	2.7
235.14943	5.0
237.12747	41.9
249.16406	2.1
251.14153	1.6
253.12199	1.7
253.15915	1.9
255.13774	13.3
259.14807	2.3
262.13553	2.3
267.17456	6.1
271.06281	2.1
277.15729	1.9
285.18524	1.8
295.16974	5.6
297.14935	11.4
313.18039	5.8
315.15973	5.2
319.13013	17.9
331.18997	2.6
355.19208	1.8
357.16959	2.0
377.17072	2.0
379.15118	46.2
403.38736	1.5
441.16827	15.9
475.23105	2.9
497.21466	8.6
501.18851	7.3
557.23572	69.8
561.20990	6.5
641.02325	1.6
679.27087	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74648	2.0
55.80449	2.2
56.34599	2.0
59.05005	100.0
59.12581	2.3
64.99731	2.8
75.36866	2.5
90.48944	2.2
93.07056	2.7
95.04964	3.0
101.06044	24.3
105.07001	10.9
108.00333	2.7
119.08575	3.0
125.34280	2.9
129.05460	66.4
131.08575	6.4
133.06491	20.9
133.10110	3.5
135.08023	4.6
137.09624	3.7
143.08543	4.8
144.99631	3.0
145.10120	3.9
147.08078	3.7
161.09601	4.7
164.61348	3.0
169.10094	5.1
181.10150	4.2
185.09613	4.2
193.10088	3.1
195.11739	3.4
197.09517	2.9
199.11131	2.6
211.11122	5.0
221.13135	2.9
223.11220	9.2
223.14745	3.2
225.12698	3.7
227.10681	5.1
235.11139	3.1
253.12408	2.9
265.15857	10.1
269.15506	3.2
293.15271	19.0
311.16476	14.0
371.18484	11.3
383.94830	2.6
413.19754	4.4
679.29175	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27338	0.4
63.43740	0.4
69.07062	2.5
79.05481	0.5
94.48331	0.5
96.08118	13.0
97.06528	0.7
113.10764	6.4
114.09164	59.7
115.07572	1.0
132.10222	0.6
158.44438	0.5
167.63560	0.4
208.18114	2.2
209.16475	31.0
210.14861	0.9
226.19101	12.0
227.17509	6.2
228.15955	16.7
245.18597	0.9
297.96844	0.7
321.26443	1.9
322.24869	18.7
323.23312	0.6
339.27509	8.2
340.26114	2.2
341.24374	6.2
434.34952	1.1
435.33511	5.1
452.35727	3.8
453.34396	0.8
454.33011	0.8
547.43042	0.6
548.41742	2.3
565.44623	0.6
566.42938	1.0
661.50293	3.9
679.51129	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	679.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94593	0.4
59.36105	0.4
62.41566	0.4
69.07059	2.4
79.55319	0.4
82.45238	0.5
85.52406	0.4
96.08124	13.6
96.08745	0.5
113.10765	6.7
114.09162	61.7
115.07565	0.9
132.10191	0.9
208.18124	1.9
209.16473	36.3
210.14909	2.0
226.19104	13.2
226.21158	0.6
227.17480	6.7
228.15941	20.6
245.18710	2.3
270.20776	0.4
321.26334	2.9
322.24854	20.8
323.23111	0.6
331.24402	0.5
339.27560	6.5
340.26108	1.9
341.24323	7.6
434.35129	1.6
435.33359	7.2
452.36105	3.4
453.34445	2.1
548.41766	2.4
565.44421	0.7
566.42584	1.7
661.50073	4.0
679.51141	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	680.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22880	5.1
55.91737	4.3
59.58737	5.2
61.67475	5.2
63.88019	5.2
64.63273	4.5
69.07064	5.9
83.09667	5.7
91.05451	5.5
92.17786	15.1
97.06509	9.3
129.06992	6.6
131.08568	11.3
131.65065	6.2
131.78833	5.9
135.08057	6.4
141.06947	9.5
143.08553	35.3
145.10114	7.5
149.09587	6.4
155.08563	10.3
159.07964	6.1
159.11713	10.0
163.89815	6.2
164.28661	5.5
169.10089	27.7
171.08078	24.1
171.11642	12.4
173.09386	5.6
179.08456	9.2
181.10144	12.5
182.10760	7.6
183.11696	13.5
185.09720	8.5
187.11148	7.9
195.11543	19.2
197.09698	24.4
197.13272	8.0
199.11192	11.4
201.12802	7.6
207.11679	8.8
209.09618	5.6
209.13345	7.4
211.11169	7.7
211.59413	6.1
213.12762	5.7
215.10715	28.1
216.81413	5.9
225.12750	8.5
234.14005	9.1
235.14857	8.0
237.12506	5.8
239.14189	5.9
241.15929	9.2
249.16368	8.3
251.14287	10.4
267.17401	30.4
269.15341	13.2
277.15814	22.2
295.16919	56.9
313.18042	45.1
355.18948	27.6
373.20020	27.8
381.26474	5.8
415.21188	32.5
462.24872	5.5
475.23230	100.0
494.15195	6.5
517.24414	25.9
577.26758	12.7
617.20099	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	680.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	30.0
59.58649	1.5
62.93431	1.5
69.76869	1.6
83.04980	19.0
87.72762	1.6
91.05479	3.4
101.38914	1.7
112.78621	1.7
147.11694	26.7
149.55470	1.8
153.21208	2.0
160.83728	1.8
161.13359	2.2
169.07689	2.5
184.07288	2.3
227.04616	2.1
239.04730	14.4
239.06865	2.1
326.95395	2.0
330.50644	1.7
337.02350	70.5
338.02716	6.8
339.03003	7.4
393.08664	33.1
394.09052	2.2
395.09012	1.9
413.05545	2.3
469.11792	20.6
525.18030	20.3
581.24200	15.6
582.24103	2.0
583.24963	6.8
637.30524	100.0
638.30933	2.8
639.31079	39.1
680.34198	12.9
692.52026	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	681.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	0.2
75.27888	0.2
81.03422	2.2
83.97429	0.2
86.07576	0.2
91.05469	4.0
92.18539	0.2
99.04431	0.3
109.02876	2.6
113.05988	0.4
119.04933	14.8
121.28387	0.2
127.03866	0.3
141.05467	0.3
147.04398	100.0
165.05417	0.3
188.06923	0.2
309.09714	0.8
323.11234	9.5
341.12201	0.2
379.14423	0.2
387.68680	0.2
428.67517	0.2
451.14600	0.3
469.15033	2.9
559.09259	0.2
584.06183	0.2
681.24207	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	681.2517
Annotation	Temoporfin
Peak:m/z	Relative Intensity
60.47025	1.1
74.48210	1.1
81.48726	1.1
100.27052	1.2
103.18819	1.5
126.46291	1.2
144.98146	1.0
300.81284	1.6
325.29919	1.4
353.68735	1.3
367.15234	6.9
427.17352	8.0
498.11264	1.3
499.19318	5.6
559.21484	64.1
681.25171	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	681.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92586	0.2
53.03975	0.3
57.91526	0.2
58.15211	0.2
58.40940	0.2
59.06908	0.2
60.40790	0.2
71.87641	0.3
77.03929	0.3
77.52813	0.2
83.64569	0.2
93.07068	0.3
95.04948	1.1
103.05468	32.3
105.04492	0.9
105.07031	0.3
107.08601	0.4
120.91460	0.3
121.06464	0.3
131.04929	100.0
133.06503	1.3
133.10115	0.3
143.08527	0.4
145.06436	0.4
155.08524	0.3
161.09641	0.5
167.08449	0.3
169.10144	0.4
178.89236	0.3
181.10114	0.4
183.11691	1.1
192.09250	0.4
192.10977	0.3
193.10127	0.3
195.11725	0.6
197.09622	0.3
197.13234	1.0
207.11810	1.2
209.09586	0.3
209.13239	0.4
211.11160	0.3
223.11281	1.8
225.12666	0.5
235.11177	1.5
247.14946	0.6
251.14308	0.4
253.12236	2.8
265.15939	1.2
275.14316	1.2
281.15308	0.3
293.12311	0.3
293.15359	2.4
295.13495	0.5
311.16516	1.7
353.17673	2.6
371.18610	1.5
413.19604	0.4
473.21838	0.5
663.27881	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	681.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91501	1.3
94.68130	1.3
103.05466	29.7
131.04930	100.0
223.11110	1.9
231.06482	1.6
253.12216	2.4
273.07574	2.4
304.34055	1.4
376.24393	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	682.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92417	2.0
69.07077	2.6
72.04509	2.4
76.88868	1.8
79.05494	9.8
79.36853	1.8
81.07053	3.3
83.04997	3.7
89.38244	2.3
91.05481	78.7
93.07046	8.9
105.07030	35.3
107.04959	69.0
107.05672	2.9
107.08614	3.8
107.28974	2.7
109.06494	4.3
117.07010	3.3
117.27299	2.0
117.52877	2.1
119.04953	23.2
119.08578	15.3
120.08099	10.9
121.06477	3.3
121.10181	2.5
129.06979	3.6
131.08560	3.6
133.10115	5.1
134.09630	33.8
135.08072	4.4
137.09656	3.1
143.08543	10.2
145.10106	12.7
147.08041	3.7
149.05991	11.8
155.08574	3.9
157.10165	12.3
159.08002	4.4
159.81090	2.0
164.10718	13.8
167.08601	2.9
169.10141	4.1
171.11699	8.7
173.09628	2.6
180.10242	62.7
181.10030	7.7
183.11681	24.9
185.09601	5.0
193.10106	5.2
194.10873	2.2
195.11737	32.5
196.12451	5.1
197.13188	2.6
199.11180	2.6
205.10112	3.0
206.10979	3.5
207.11713	10.8
208.12534	4.9
209.09612	3.0
209.13274	12.1
210.11253	100.0
211.11166	3.0
211.14783	41.5
213.12711	2.4
213.16394	35.9
221.13251	4.2
222.11214	2.7
222.13931	4.5
223.11205	12.6
223.14868	13.2
225.12700	2.9
227.14220	2.7
229.15826	3.1
232.12566	3.3
237.12695	8.2
237.16309	36.1
239.14354	4.6
241.12167	3.8
241.15819	2.8
247.14864	8.2
255.17383	22.2
263.17892	3.8
265.15897	43.7
283.16943	31.5
293.15363	14.3
301.18182	2.3
311.16336	20.2
325.18103	16.6
329.17355	3.6
353.17545	11.1
371.18512	25.3
413.19504	17.6
441.41684	2.2
622.30237	4.2
682.32251	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	682.322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21767	1.0
66.09758	1.0
69.07064	1.7
79.05515	1.4
81.07078	1.8
84.48592	1.0
90.17135	0.9
91.05480	12.9
91.78305	1.1
95.08646	1.6
99.68986	1.1
105.07031	5.8
107.04923	10.7
107.08633	1.5
109.10161	1.1
111.08102	8.5
119.04901	4.3
119.08580	4.9
121.06477	1.5
121.10081	1.4
131.08543	1.2
133.10149	2.4
134.09631	11.3
135.08084	1.6
137.09604	2.0
139.07516	8.0
143.08551	4.3
145.10150	4.4
147.04387	4.0
147.08008	3.6
149.06039	2.3
149.09673	1.5
155.08578	1.8
157.10094	5.9
159.08075	1.5
161.09593	1.2
164.10648	1.3
169.10146	1.6
171.11664	4.1
173.09634	5.3
175.11148	2.3
181.10130	4.3
183.11693	18.3
185.09665	1.1
185.13231	1.2
187.11168	1.5
193.10083	2.1
194.11790	6.3
195.11708	12.6
197.13251	2.0
199.11177	2.3
199.14905	4.6
201.12749	8.8
206.10925	1.2
207.11726	2.4
208.12457	4.0
209.09647	1.1
209.13268	4.6
210.11223	10.8
211.11201	4.4
211.14897	2.3
213.12810	2.4
213.16447	1.2
221.13287	1.2
223.11266	5.5
223.14764	18.7
225.12724	1.4
227.10695	1.2
227.14293	1.6
232.12502	1.2
237.16348	16.0
239.14275	1.4
241.15775	8.3
255.17482	10.0
265.15820	16.8
283.16916	28.8
301.17987	13.9
325.17960	4.7
343.19022	4.3
355.19519	1.1
517.69800	1.3
620.89215	1.1
663.81873	1.2
682.32159	100.0
691.32184	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	682.322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21767	1.0
66.09758	1.0
69.07064	1.7
79.05515	1.4
81.07078	1.8
84.48592	1.0
90.17135	0.9
91.05480	12.9
91.78305	1.1
95.08646	1.6
99.68986	1.1
105.07031	5.8
107.04923	10.7
107.08633	1.5
109.10161	1.1
111.08102	8.5
119.04901	4.3
119.08580	4.9
121.06477	1.5
121.10081	1.4
131.08543	1.2
133.10149	2.4
134.09631	11.3
135.08084	1.6
137.09604	2.0
139.07516	8.0
143.08551	4.3
145.10150	4.4
147.04387	4.0
147.08008	3.6
149.06039	2.3
149.09673	1.5
155.08578	1.8
157.10094	5.9
159.08075	1.5
161.09593	1.2
164.10648	1.3
169.10146	1.6
171.11664	4.1
173.09634	5.3
175.11148	2.3
181.10130	4.3
183.11693	18.3
185.09665	1.1
185.13231	1.2
187.11168	1.5
193.10083	2.1
194.11790	6.3
195.11708	12.6
197.13251	2.0
199.11177	2.3
199.14905	4.6
201.12749	8.8
206.10925	1.2
207.11726	2.4
208.12457	4.0
209.09647	1.1
209.13268	4.6
210.11223	10.8
211.11201	4.4
211.14897	2.3
213.12810	2.4
213.16447	1.2
221.13287	1.2
223.11266	5.5
223.14764	18.7
225.12724	1.4
227.10695	1.2
227.14293	1.6
232.12502	1.2
237.16348	16.0
239.14275	1.4
241.15775	8.3
255.17482	10.0
265.15820	16.8
283.16916	28.8
301.17987	13.9
325.17960	4.7
343.19022	4.3
355.19519	1.1
517.69800	1.3
620.89215	1.1
663.81873	1.2
682.32159	100.0
691.32184	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	682.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75480	6.8
63.85730	7.0
79.05502	6.9
92.05816	7.1
92.17786	19.7
97.06556	8.8
107.05003	8.2
133.06487	8.4
133.10141	8.1
135.08078	16.5
136.62933	8.1
143.08559	11.7
155.08588	11.6
157.10114	9.9
169.10098	18.1
171.08064	11.8
171.11713	12.4
181.10077	9.8
193.10112	11.3
195.11662	9.1
197.09593	32.5
197.13306	9.9
199.11232	13.8
207.11624	10.9
209.13376	7.9
211.11176	10.0
223.14760	11.4
225.12744	9.4
241.15901	9.0
249.16368	11.5
251.14330	9.7
267.17404	17.0
269.15234	9.9
277.15918	17.0
295.17029	54.8
313.17996	34.0
346.85117	7.3
355.19061	12.7
373.19910	15.8
415.21146	17.4
475.23318	100.0
476.23474	8.0
577.26050	9.7
682.35504	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34788	6.0
54.64431	6.9
67.05455	7.7
72.53074	6.4
79.05482	29.1
81.07038	10.3
83.04961	12.2
91.05471	9.1
94.57423	9.2
95.04949	13.0
105.07025	9.8
106.16520	8.6
107.04945	100.0
109.06563	9.5
111.04439	10.0
119.08562	16.2
133.10123	12.8
134.09641	70.4
135.04434	10.0
143.08568	9.9
145.10138	9.1
147.04382	11.3
147.08060	8.6
149.06000	12.6
149.09607	16.8
157.10094	16.7
161.09624	7.6
169.10086	9.6
171.11646	11.0
180.10252	31.2
183.11685	10.4
185.13272	11.7
189.12813	7.8
195.11783	11.4
205.12347	17.0
209.09752	8.0
213.12737	11.1
218.58420	7.5
231.13901	8.2
262.13303	8.7
277.15836	12.0
295.16956	51.1
313.17920	64.6
355.18930	85.7
356.04572	8.1
373.20111	44.5
415.21252	74.0
564.09723	8.5
575.66315	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	682.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76560	1.0
55.44845	1.1
61.33921	1.1
65.60292	1.0
67.05482	1.2
74.06078	14.5
75.31165	1.1
78.56445	1.0
79.05495	10.7
81.07053	1.5
84.59488	1.2
93.07032	4.6
95.08619	1.9
105.07037	13.2
107.04952	100.0
107.08584	2.0
109.10134	4.3
111.00443	1.2
119.08578	8.0
120.08094	22.8
121.10120	2.0
131.08585	2.4
133.10118	11.5
135.11708	1.4
143.08630	8.6
145.10115	5.4
147.11688	1.2
149.05968	19.3
155.08553	4.7
157.10124	9.5
159.11790	1.9
161.09610	2.2
167.08553	1.4
169.10194	3.8
171.11665	1.6
173.09579	1.9
175.65327	1.2
180.10187	77.1
181.10123	2.3
183.11662	7.4
185.13181	1.6
193.10126	2.5
195.11676	2.9
197.13275	4.7
206.10918	4.2
207.11714	5.7
209.13309	1.7
221.13206	7.1
222.11227	5.5
223.14885	2.8
233.13248	6.4
234.14078	1.8
237.16347	2.9
239.17857	2.4
248.15623	4.8
253.19643	1.9
263.17935	21.6
281.18979	11.7
323.20090	1.5
341.21045	2.6
502.29507	5.8
562.31763	1.9
580.32477	19.7
622.33655	36.0
682.35602	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	682.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55476	1.3
55.59333	1.1
62.14030	1.2
62.30742	1.1
65.91910	1.1
67.05518	1.5
74.06077	10.1
79.05485	8.4
86.69621	1.2
93.07037	5.1
94.13868	1.3
95.04941	1.3
95.08591	1.6
103.45282	1.3
105.07020	9.1
107.04955	100.0
107.08569	2.5
109.10159	2.2
110.12193	1.3
114.29344	1.5
119.08571	9.5
120.08097	21.2
121.10081	2.5
131.08578	2.2
133.10159	11.3
134.05026	1.3
134.09645	12.4
135.17476	1.2
143.08565	5.4
144.68008	1.3
145.10097	5.8
147.08064	1.7
147.11644	1.6
149.05986	18.4
151.91876	1.2
155.08521	3.2
157.10097	6.2
159.08072	2.3
159.11665	2.8
169.10146	5.3
171.11693	3.1
179.08656	1.8
180.10191	62.6
181.10112	2.1
183.11694	6.4
185.13240	2.4
193.10162	2.2
194.11758	11.7
195.11714	2.4
197.13284	2.3
206.10886	3.1
207.11646	6.7
209.13251	2.8
211.14857	2.1
219.11751	1.3
220.12482	2.1
221.13278	8.2
222.11243	2.5
223.14740	1.4
233.13297	2.5
248.15594	5.6
253.19456	2.5
253.22211	1.4
263.17929	13.5
281.18906	10.2
299.19904	1.6
323.20016	1.5
341.20920	2.7
413.10217	1.3
464.53918	1.3
502.29248	5.8
562.31488	1.6
580.32446	19.7
622.33783	46.3
682.35510	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	682.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95332	0.9
61.93435	1.1
63.89648	1.0
65.70931	1.0
72.04506	1.7
74.06087	9.2
74.67896	1.2
79.05490	10.6
88.07629	2.1
91.05489	2.8
93.07018	5.4
95.08596	1.8
105.07024	7.3
107.02399	1.4
107.04954	100.0
107.08589	2.0
109.10187	2.3
119.08597	10.3
120.08081	13.7
121.10121	2.1
129.07040	1.3
131.04918	1.5
131.08554	2.9
133.10120	10.4
134.09653	29.7
143.08585	7.6
145.10118	5.6
147.11662	2.5
149.05980	21.3
155.08554	2.9
157.10110	7.0
159.11650	1.7
162.08867	1.3
169.10165	6.4
171.11707	2.6
173.09550	1.7
180.10176	44.7
181.10135	2.2
183.11655	5.8
185.13145	1.6
192.09351	1.5
193.10127	2.4
194.11771	32.8
195.11690	3.0
197.13263	2.7
206.10910	5.5
207.11633	3.0
209.13364	4.3
211.14909	1.9
220.12468	1.3
221.13138	8.9
222.11313	1.2
222.13995	1.4
223.14833	2.2
225.12709	1.6
233.13266	2.7
248.15564	5.9
252.69658	1.3
263.17932	12.6
281.19083	9.7
283.19263	1.4
299.19931	2.0
323.19824	2.0
341.21262	1.7
359.43304	1.9
374.09198	1.4
427.17224	1.4
487.40616	1.4
502.29544	7.1
516.30939	3.0
516.95758	1.4
576.67462	1.3
580.32495	17.8
622.33698	37.5
682.35840	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	682.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	1.4
74.06066	14.9
79.05508	10.2
81.07059	1.3
88.39453	1.4
91.05490	1.8
91.19002	1.3
93.07032	7.9
95.08615	1.6
105.07012	11.9
107.04952	100.0
107.05688	3.5
107.08573	1.4
109.10144	5.3
116.74438	1.4
119.08585	8.1
120.08093	27.4
121.10155	2.6
131.04919	1.8
131.08528	1.9
133.10118	12.4
134.09637	6.7
143.08585	7.0
145.10107	2.5
149.05968	24.3
155.08607	1.4
157.10117	6.5
159.11664	2.2
161.09595	1.5
169.10110	5.1
169.35175	1.4
171.11710	2.2
173.09790	2.0
179.08661	1.7
180.08572	2.7
180.10176	76.2
181.10078	5.3
183.11670	3.3
185.13316	1.9
192.09280	1.9
193.10130	6.6
194.11763	6.5
195.11679	2.0
197.13319	5.5
199.11189	1.3
201.12657	1.6
206.10933	2.0
207.11668	7.6
208.12558	1.5
209.13231	3.2
211.14745	2.1
220.12387	1.9
221.13245	8.3
222.11276	2.5
225.12625	1.5
233.13116	1.6
234.14029	1.5
239.14505	1.4
248.15596	6.1
253.19366	1.7
263.17966	17.9
281.19022	9.0
299.20145	2.9
308.23972	1.5
376.92209	1.4
502.29578	7.4
580.32513	12.5
622.33691	44.1
628.13306	1.4
682.35559	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	682.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40975	0.9
55.05504	1.1
69.07059	1.2
74.06075	12.2
79.05498	8.6
83.28151	1.1
91.05473	2.3
92.18486	3.2
93.07019	4.7
95.08611	1.9
105.07027	9.5
107.04956	100.0
107.08598	1.9
109.10174	1.4
117.07043	1.3
118.41606	1.2
119.08566	9.1
120.08100	23.8
121.10096	1.5
131.04959	1.4
131.08540	2.6
133.10118	9.2
143.08572	6.4
145.10144	4.8
147.11707	1.1
149.05994	18.9
155.08556	4.3
157.10136	7.6
159.08017	1.8
161.09604	1.3
167.08559	1.8
169.10112	5.6
171.11670	1.3
179.08562	1.8
180.10193	66.2
181.10126	2.6
183.11684	4.6
185.13139	1.4
192.09261	1.3
193.10056	1.6
195.11668	2.8
197.13237	2.4
200.63470	1.1
206.10896	2.2
207.11705	7.5
208.12506	1.6
211.14728	2.0
221.13185	10.0
222.11313	1.6
233.13222	5.0
235.14890	1.7
237.16281	1.8
237.75423	1.2
248.15572	6.1
250.27631	1.1
253.19479	2.3
263.17999	9.4
270.80652	1.2
281.19058	10.0
299.20041	1.8
319.72275	1.2
323.20157	1.9
341.21252	2.4
472.19299	1.3
502.29568	5.8
546.67310	1.3
580.32721	18.3
622.33771	46.0
682.35828	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	682.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54033	0.4
55.05519	1.0
57.07077	0.9
67.05493	1.2
68.90485	0.5
69.07033	0.5
69.19906	0.5
71.09626	0.6
74.06081	14.0
78.05799	0.5
79.05497	9.4
80.17781	0.6
80.52156	0.4
81.07073	1.3
83.08566	0.5
83.71487	0.4
84.91247	0.6
91.05470	3.1
93.07030	5.3
95.04947	0.7
95.08591	3.8
103.05389	0.6
105.07037	10.1
107.04953	100.0
107.08575	4.1
109.10156	4.0
117.06993	0.8
119.08577	8.9
120.08096	22.3
121.06497	0.5
121.10160	2.7
123.08085	0.6
128.06229	0.8
129.06953	0.7
131.04935	3.0
131.08598	4.2
131.88826	0.5
133.10132	12.3
135.07959	0.8
135.11705	1.2
141.06947	0.9
142.07739	0.9
143.08566	7.0
144.23029	0.5
145.10136	3.9
147.07985	1.0
147.11684	2.8
149.05974	22.5
155.08553	4.4
156.09323	0.8
157.10114	7.1
159.08063	1.1
159.11679	2.6
161.09578	2.2
162.09200	0.6
163.11171	0.8
167.08563	0.7
169.10106	6.7
171.11703	4.4
173.09624	0.8
173.13254	0.7
175.11154	1.1
178.08612	1.2
179.08531	2.8
180.10184	70.7
181.10095	2.9
182.70845	0.6
183.11681	6.4
185.09615	0.9
185.13318	1.0
187.11235	0.8
192.09326	2.8
193.10147	3.3
195.11748	3.7
197.13197	5.2
199.11052	0.7
199.14786	0.8
201.12796	0.6
206.10860	3.7
207.11674	7.7
208.12535	0.9
209.13240	2.7
210.10376	0.6
211.14836	2.2
219.11688	2.2
219.49892	0.6
220.12422	3.1
221.13242	6.6
222.11217	4.0
223.14780	2.1
225.12758	1.2
233.13234	4.3
234.14082	2.8
235.14850	2.0
237.16380	0.9
239.17886	2.0
248.15523	5.0
253.19514	2.8
263.17944	15.0
281.18991	11.0
299.20215	2.3
304.65976	0.6
323.19943	2.9
341.21069	3.2
401.23087	0.7
502.29367	7.1
520.30219	1.2
562.31836	1.0
580.32635	15.6
584.72089	0.7
622.33698	41.6
682.25653	1.2
682.35626	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	682.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57627	3.2
50.90658	3.8
57.07071	10.5
69.83991	4.6
72.99765	3.7
83.04985	16.1
88.25960	4.2
103.69979	4.3
124.18774	4.5
147.11668	8.7
154.29077	4.4
200.86096	4.2
239.04659	9.4
337.02414	61.4
362.65323	5.0
389.46701	4.5
393.08524	26.6
469.11618	20.3
470.38559	4.6
485.68112	5.5
525.17896	17.5
542.47626	4.6
581.23926	8.7
597.55743	4.7
637.30463	67.8
639.31250	6.8
682.35681	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	682.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30972	4.3
62.06079	22.0
69.03436	5.2
74.11052	5.4
79.05498	8.1
79.68922	5.2
81.03417	19.1
81.07059	11.0
91.05480	11.8
93.07018	32.0
95.04940	25.2
95.08607	9.8
101.25069	4.6
105.07018	32.2
107.08582	31.2
119.04892	4.9
119.08553	37.1
121.10137	33.3
121.22404	4.6
131.08502	16.1
133.06488	20.2
133.10109	80.0
135.08044	70.4
135.11652	5.3
137.98996	5.0
138.17184	4.9
143.08592	8.3
145.10107	27.7
149.09683	6.5
155.08557	5.7
157.10130	20.7
159.11664	12.4
161.09619	48.3
163.11140	10.8
169.10132	6.1
171.11665	20.4
173.13254	29.1
183.11690	10.2
185.09692	11.0
193.10071	9.3
195.11499	8.1
197.09503	9.4
199.11115	7.1
199.14812	8.0
207.11696	19.4
211.14792	7.5
221.13229	23.1
225.12689	12.0
233.13167	6.5
235.14548	5.7
239.14322	7.1
248.15503	7.4
253.19463	8.4
263.17896	38.9
271.63409	5.4
281.18973	100.0
299.19846	6.4
318.99347	5.6
341.20963	23.0
383.22385	9.4
401.23203	28.8
443.24194	5.7
513.67133	5.3
561.30200	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	683.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39227	0.6
58.63578	0.6
65.76337	0.6
69.79154	0.6
120.99763	0.7
123.01234	0.7
185.04208	3.0
353.12045	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	683.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.0
57.03437	7.5
67.05510	25.9
69.07071	11.5
79.05503	20.8
81.07061	33.4
83.08620	8.0
85.59146	1.7
91.05492	21.1
93.07030	24.9
95.04919	2.0
95.08589	28.0
97.06542	2.0
97.10155	3.4
105.07022	21.6
106.82606	1.8
107.04935	2.2
107.08627	17.8
109.10176	14.4
117.07014	13.0
119.08563	25.5
121.10139	13.3
129.07010	6.6
131.08540	18.5
133.10129	19.4
135.11711	9.9
143.08543	12.9
145.10121	22.0
147.11681	12.0
149.13280	3.8
155.08549	6.9
157.10141	12.9
159.11688	16.7
161.13269	8.7
167.08546	3.4
169.10141	7.3
171.11644	16.1
173.13330	7.5
176.14346	9.3
177.14711	2.0
181.10159	3.1
183.11731	9.5
185.13272	12.4
187.14821	3.1
195.11771	3.8
197.13301	8.0
199.14848	7.0
209.13229	3.5
211.14792	2.8
213.16524	2.7
227.18008	2.1
235.14743	1.9
239.17998	1.9
259.20755	2.3
333.24429	7.5
351.25443	2.4
468.24661	1.7
517.40375	2.4
591.44250	7.5
609.44934	3.8
665.48071	2.9
683.31317	9.3
683.49023	100.0
709.03796	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	684.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22670	1.3
60.77706	1.1
72.10516	1.1
72.26855	1.3
83.04993	1.6
91.05470	1.4
95.04965	2.4
103.79121	1.2
105.03393	6.0
105.07023	3.0
107.04942	1.8
107.08609	1.6
108.60841	1.1
119.08583	2.3
122.30787	1.4
131.04858	1.6
133.10095	2.2
135.08083	2.4
135.49289	1.3
143.08563	2.1
145.10124	2.5
147.08005	2.8
149.09644	1.3
155.08565	1.4
157.10110	5.0
159.08034	5.2
161.03639	1.2
161.09612	8.3
167.08563	1.5
169.10060	6.1
171.08032	1.8
171.11653	5.9
173.09628	8.3
175.11127	1.8
177.09077	2.9
181.10243	7.2
183.11679	4.9
185.09612	8.9
185.13254	1.3
187.11220	4.8
195.11699	5.2
197.09619	2.7
197.13281	8.6
198.10309	1.5
199.11188	19.4
200.11903	1.8
201.09108	2.3
201.12804	1.7
207.05731	1.6
207.11708	8.3
208.12520	1.5
209.09622	6.9
209.13263	5.1
210.10352	2.6
211.11230	6.9
211.14679	2.5
212.11948	8.0
213.09129	2.0
213.12740	6.2
215.10657	1.3
221.13374	1.9
223.11133	4.7
223.14769	5.4
225.12692	12.1
227.10657	1.5
227.14238	2.1
232.12445	2.1
235.11057	1.4
237.12744	1.7
237.16135	1.3
239.14302	6.1
241.12169	1.4
241.15773	1.5
243.09401	1.7
243.13708	1.7
245.07346	1.6
251.14238	6.0
253.12276	6.8
259.08844	1.8
259.12592	1.7
261.10397	3.1
263.08331	2.0
265.15906	8.7
269.15378	1.6
275.14264	2.8
280.14502	1.7
283.12570	2.3
283.16797	1.7
287.12057	1.7
289.09872	5.4
293.15271	6.2
301.13547	5.2
305.13068	2.1
307.10889	15.8
311.11960	2.2
311.16409	5.3
311.52936	1.2
319.14606	2.0
329.12796	11.8
347.14005	24.4
347.20660	1.4
365.15161	16.1
367.13068	100.0
382.79724	1.3
407.16257	12.4
425.17114	9.3
427.15274	1.5
467.18390	6.8
485.19391	1.9
498.21829	1.3
527.20044	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	684.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
56.79478	1.7
61.01622	1.5
61.35043	1.4
66.81522	1.5
69.07061	1.6
72.04514	8.3
78.24664	1.6
79.28610	1.5
83.04936	1.8
91.05479	92.5
93.07011	3.2
95.04939	1.6
105.07022	21.1
107.08592	8.2
109.06506	3.0
117.07016	1.9
119.04922	28.6
119.08575	10.8
121.06530	2.8
121.10133	8.1
131.08586	4.0
133.10106	6.4
133.71310	1.8
134.09654	46.3
135.08055	7.1
135.11685	1.8
137.09616	3.2
141.81073	1.7
143.08578	9.6
145.10124	3.1
147.08073	2.1
147.11699	2.2
149.09599	2.8
155.08537	2.8
157.10110	14.0
159.11652	3.5
164.10713	58.2
168.09366	2.3
169.10110	9.4
171.11714	3.6
173.09706	1.8
183.11681	16.5
192.07747	1.6
193.10236	2.0
195.11708	6.2
197.13293	8.5
199.11211	1.8
201.12744	2.7
202.80730	1.8
207.11694	7.6
209.13295	7.6
210.11253	100.0
211.14803	3.1
213.12741	1.8
220.12505	2.2
221.13223	3.1
223.14845	12.2
225.12885	2.1
225.16476	2.3
227.14342	2.9
234.14052	2.6
239.17940	6.8
241.15744	2.4
249.16312	15.6
267.17416	33.4
285.15649	1.7
285.18378	14.7
290.65131	1.7
295.16681	2.0
309.18417	2.8
327.19684	9.0
345.20496	2.5
435.40079	1.7
466.93689	2.0
532.69885	1.7
624.31421	3.9
684.33746	79.7
687.79071	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	684.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20951	1.2
56.53823	1.1
61.97551	1.2
65.03944	1.7
81.07042	1.8
86.02428	1.1
91.05476	92.1
93.07001	1.8
101.37060	1.1
102.60036	1.3
103.05448	2.2
105.07021	3.2
107.08588	2.2
110.78766	1.3
111.08080	2.0
119.04922	16.2
119.08593	7.7
123.08025	3.0
131.08569	1.4
134.09654	21.5
143.08574	5.7
157.10146	1.7
161.09596	1.8
167.05049	1.3
183.58244	1.3
193.09996	1.7
207.11754	1.5
208.12517	1.4
210.11224	100.0
249.16217	1.8
267.17493	1.9
295.16928	3.0
313.18033	2.2
578.86102	1.5
582.69525	1.5
684.33704	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
81.41158	1.5
85.44832	1.4
91.05478	94.9
92.17851	1.9
93.07039	2.3
95.04959	5.9
103.05412	1.5
105.07014	10.0
106.06580	2.7
107.04956	5.8
107.08564	4.5
109.10137	3.3
111.04432	3.0
119.04926	21.7
119.08575	23.4
121.10107	5.2
125.06002	2.7
131.08559	3.1
133.06546	1.9
133.10141	6.7
134.09630	20.0
135.08037	2.8
137.09610	6.6
143.08549	2.4
145.10129	2.7
147.04463	6.3
147.11711	1.5
149.09561	5.3
151.11169	2.6
155.08719	3.9
157.10144	8.4
159.11740	2.0
161.09615	2.5
169.10109	2.2
171.11699	5.5
173.09618	2.2
175.11230	1.5
181.10110	1.8
182.08086	10.2
183.11678	7.6
185.09692	1.7
185.13255	2.3
187.11232	2.5
193.10117	3.1
195.11707	5.9
197.13300	5.1
199.11128	2.0
206.10995	2.2
207.11742	6.1
209.13229	2.3
210.11232	59.4
211.11200	1.9
211.14841	1.8
213.12740	2.2
219.11804	2.1
221.13274	2.8
223.14890	1.8
224.09074	1.5
234.14070	2.7
235.14758	1.9
237.16367	2.2
239.14288	1.8
239.18077	2.6
261.16290	1.4
263.17932	2.5
267.17346	1.7
279.17334	1.6
285.18561	2.9
287.16605	2.2
297.18677	1.9
313.18048	2.5
320.56998	1.4
504.27045	1.6
624.31409	8.0
684.33783	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	684.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68145	0.8
58.06598	2.1
72.04509	10.4
74.17091	0.9
75.17616	0.9
83.04971	1.1
91.05478	23.9
92.17867	2.0
93.07033	1.9
93.57491	1.0
105.07044	2.1
107.08588	4.0
116.41453	0.9
119.04932	21.0
119.08546	4.3
121.10145	4.5
131.08543	2.1
134.09647	100.0
135.08057	1.4
143.08534	2.2
147.08005	1.4
155.08490	1.3
157.10094	1.8
159.11662	1.5
164.10695	84.0
169.10120	1.7
181.10098	1.1
183.11649	7.6
185.13280	1.7
192.10196	3.7
195.11700	1.3
197.13307	1.9
210.11220	10.7
213.12755	1.7
231.48137	1.1
239.18054	2.0
249.16501	1.5
267.17374	7.8
268.11075	1.1
285.18393	1.0
295.17087	1.1
504.27328	1.0
582.30542	2.1
624.31555	23.7
669.70575	1.2
684.33807	11.3
706.78662	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	684.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16245	1.6
79.05476	2.4
91.05477	84.2
93.07030	2.6
95.04953	7.9
103.05494	2.3
105.07026	4.5
107.04945	11.1
112.74732	1.9
112.79424	2.0
116.75344	2.0
117.06940	2.1
119.04949	16.3
119.08559	11.7
120.08101	7.8
121.10116	3.9
123.08075	2.3
125.05964	2.0
131.04942	4.7
131.08553	3.4
133.10118	7.9
134.09668	19.3
137.09596	3.2
143.08554	2.8
145.10143	3.6
147.86980	1.9
149.09605	2.7
157.10100	4.5
170.09315	1.7
180.10138	3.4
181.10515	2.2
182.08142	4.0
183.11713	4.1
195.11726	1.9
197.13377	3.0
210.11270	49.1
272.21594	1.9
287.16568	2.2
295.16815	2.4
303.73364	2.3
313.17932	3.0
624.31775	9.0
684.33630	100.0
684.77478	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	684.338
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29053	3.4
78.47939	3.1
83.51777	3.4
91.05480	6.7
103.05458	20.9
105.07024	7.8
107.08596	7.6
109.06475	3.8
117.06975	3.4
119.08600	13.0
121.10115	5.6
129.06937	4.5
129.46880	3.2
131.04927	89.7
131.08600	7.2
133.10126	9.3
135.08076	5.8
143.08563	6.7
155.08569	7.8
159.08034	7.8
161.09641	4.6
169.10139	15.7
171.11618	7.5
171.38162	3.9
179.08530	14.6
181.10098	14.6
183.11714	7.0
191.08545	6.6
192.09306	4.1
193.10155	17.5
194.11024	6.7
195.11642	18.5
205.10045	4.7
206.10904	25.6
207.11674	15.1
209.13268	22.5
211.14851	5.4
219.11713	17.2
220.12576	5.1
221.13185	53.0
223.11227	4.5
231.11674	40.6
235.14764	4.5
237.12761	8.4
237.16457	5.0
239.14310	17.6
246.14012	42.2
248.48732	3.5
251.17853	7.4
261.16391	100.0
279.17392	40.1
297.18527	20.0
304.18735	3.9
321.18478	16.8
339.19415	16.2
515.64935	4.4
674.29559	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	684.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18533	2.2
55.05504	1.9
55.57113	1.9
71.48581	2.2
71.57265	2.2
72.91123	2.1
74.69147	2.0
79.05450	2.6
81.07056	2.2
83.89713	2.3
85.93208	2.5
91.05492	9.2
93.07044	12.4
95.04959	5.2
95.08610	8.5
103.05463	13.6
105.07022	19.1
107.08599	16.7
109.06517	2.5
119.08572	29.4
121.10132	5.7
131.04927	59.1
131.08586	13.3
133.06479	10.6
133.10130	14.4
135.08066	34.8
137.09660	2.3
141.07021	3.0
143.08537	22.1
145.06479	3.2
145.10136	10.0
147.08022	4.2
149.09631	14.3
155.08557	10.3
157.10098	13.5
159.08034	10.5
159.11636	2.8
161.09566	20.5
163.11154	3.4
167.08569	4.7
169.10101	17.8
171.08038	3.0
171.11746	3.3
173.09557	4.3
179.08578	9.6
181.10100	11.4
183.11655	5.2
185.09660	4.2
185.13258	2.8
187.11107	4.0
191.08516	3.0
193.10152	12.9
195.11703	22.2
197.09746	16.3
197.13245	10.2
199.11261	4.9
206.10899	31.9
207.11703	4.5
209.13275	16.9
211.11349	3.3
211.14836	21.4
213.12947	2.6
220.12466	3.2
221.13220	33.9
223.11215	14.1
224.11932	3.8
231.11688	10.0
235.14708	3.7
236.12030	3.1
236.15640	2.7
237.12791	16.8
237.16248	2.5
239.14299	100.0
246.13982	5.9
249.12715	14.2
251.17903	17.7
261.16357	8.8
264.15067	15.7
269.19034	3.7
279.17444	77.2
281.15372	11.2
297.18436	29.0
299.16443	14.0
302.42062	2.4
321.18674	3.6
339.19629	26.9
357.20459	4.6
369.18509	3.5
399.21677	5.8
431.10156	2.4
441.22519	2.8
459.23825	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	684.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.8
63.38615	2.6
67.05493	3.8
69.07065	3.5
69.88549	2.2
79.05505	5.3
81.07042	14.1
82.50375	2.9
85.77716	3.0
91.05476	11.9
93.07045	12.5
95.04970	4.1
95.08590	13.8
103.05448	11.6
105.07014	26.4
107.08578	13.9
109.06498	4.6
109.10178	3.7
119.08572	54.7
121.06541	3.8
121.10099	3.5
129.07008	4.4
131.04918	39.8
131.08600	16.9
133.10138	11.7
135.08072	5.3
141.06984	3.5
142.07828	4.3
143.08542	26.8
143.61740	2.5
145.10106	20.1
147.08038	6.2
155.08548	24.3
157.10088	22.7
159.08023	11.1
159.11661	4.0
161.09587	3.1
166.07857	4.0
167.08542	13.3
169.10091	23.9
171.11664	6.2
173.09573	5.3
179.08560	10.7
180.09378	3.4
181.10066	26.2
183.11647	9.9
185.09604	4.3
191.08546	3.5
193.10130	14.7
194.10945	4.1
195.11650	32.0
196.12383	2.9
199.11154	4.3
204.09518	9.1
205.10095	19.6
206.10927	14.3
207.11681	24.1
209.13249	25.1
217.10141	10.9
219.11678	34.1
220.12495	3.7
221.13278	16.8
222.14076	3.2
223.11143	14.0
223.14832	4.0
231.11647	31.1
232.12456	12.9
233.13255	13.0
235.14819	11.4
236.11993	2.8
237.12726	11.2
237.16496	10.3
246.14008	46.0
251.17957	14.7
261.13602	3.2
261.16367	100.0
279.17422	83.0
297.18497	12.4
318.21616	2.7
321.18552	17.0
339.19492	14.6
399.21619	44.9
399.52051	2.5
459.23587	3.6
561.56714	3.0
607.28229	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	684.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81747	7.5
72.87007	7.9
76.30148	10.3
78.19856	8.1
83.95010	9.5
95.04977	13.3
105.07043	12.4
107.08621	13.3
107.71572	8.6
107.72562	8.8
118.56626	8.7
119.08548	37.6
121.10143	10.4
133.10097	100.0
135.11665	10.7
145.10107	46.9
265.19583	48.4
292.74829	8.3
385.24066	10.6
684.37256	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
57.03439	1.6
58.97184	1.0
65.86585	1.1
67.05509	19.9
69.07059	7.1
70.22462	1.2
71.04959	1.0
79.05498	38.7
81.03401	2.9
81.07063	19.7
83.04977	7.5
83.08604	6.4
91.05484	31.3
93.07034	45.7
95.04967	12.7
95.08588	12.6
97.06506	2.0
97.10130	1.5
105.04572	1.4
105.07023	26.2
107.04958	3.0
107.08592	16.4
109.06511	5.3
109.10148	2.4
117.07033	2.6
117.50921	1.4
119.04937	2.7
119.08590	17.5
121.10122	3.1
123.08057	3.1
125.85953	1.4
129.06989	14.5
131.08542	2.0
133.10101	7.3
134.09605	3.1
135.11681	1.5
139.60434	1.2
143.08585	8.7
145.10103	9.7
147.11681	32.3
159.61746	1.3
161.09627	2.3
161.13228	11.4
163.11189	2.0
164.10684	10.4
171.11685	25.0
178.56133	1.3
184.53976	1.4
189.12706	5.0
207.13782	11.0
281.17426	25.3
487.30499	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	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
53.04389	0.5
55.05506	4.1
57.03432	1.3
61.50370	0.6
62.80529	0.6
65.05714	0.7
67.05512	16.7
68.35572	0.8
69.07043	4.1
73.06540	1.0
79.05051	1.2
79.05492	29.0
81.03413	1.6
81.07060	14.6
83.04961	5.3
83.08605	3.4
85.06516	1.2
90.55805	0.7
91.05475	24.2
93.07042	32.3
93.33125	0.7
95.04961	7.2
95.08595	12.2
97.06509	1.1
97.10158	1.2
101.41376	0.8
105.07027	15.9
107.04948	1.2
107.08603	9.0
109.06525	3.4
109.10139	1.2
111.08092	0.8
117.07012	3.8
119.08575	12.2
121.06533	0.7
121.10172	1.7
123.08054	3.3
129.07005	9.0
131.08556	1.5
133.10124	6.4
134.09639	1.7
135.11642	1.0
143.08528	5.9
145.10149	6.6
147.11688	25.9
161.09586	1.8
161.13249	7.7
164.10738	6.2
171.11688	20.3
181.67981	0.7
189.12679	6.3
207.13742	7.1
210.11407	1.0
215.10649	0.8
281.17447	25.7
322.78131	0.7
326.73273	0.7
349.48581	0.8
369.19180	0.9
457.46274	0.7
469.29404	2.9
487.30502	100.0
505.31424	3.6
624.31036	1.6
638.17932	0.8
706.65479	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	685.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
106.50684	0.9
142.58630	0.8
167.06996	1.9
170.39636	0.9
185.09677	0.9
189.33919	1.0
197.09639	1.1
253.08585	1.3
255.10197	1.0
265.08740	1.7
267.06561	1.4
267.13779	13.4
279.10150	1.3
281.08105	4.4
281.11691	1.2
282.08966	2.0
282.12509	1.4
283.09677	4.1
295.13223	33.3
296.10413	38.8
307.13293	7.9
309.11188	19.7
323.12802	9.2
324.13562	43.8
325.14322	24.1
420.81561	0.9
522.91125	0.9
685.30078	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	685.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10958	2.9
59.06136	4.4
77.28802	3.0
85.07652	2.4
85.38859	2.5
90.99210	2.5
91.05490	4.0
100.03733	2.5
103.08693	6.0
103.42436	2.5
112.26428	2.7
119.04980	3.0
130.94687	2.5
147.04378	4.4
150.64638	2.6
272.93317	2.6
309.20514	3.5
398.84528	3.2
399.21115	4.9
607.74139	2.8
685.42767	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	685.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.7
56.74657	4.1
61.97225	5.1
67.05516	72.6
69.07060	31.3
71.04999	9.9
72.16724	4.4
73.55800	4.9
75.50647	4.7
79.05490	24.1
81.07066	96.6
83.08617	9.8
85.06532	7.7
85.47881	6.3
91.05483	23.7
93.07051	37.2
95.08604	100.0
97.06509	10.5
97.10124	6.1
103.22855	5.6
105.07072	6.8
107.08578	30.7
109.10167	52.3
111.08115	5.4
119.08567	21.8
121.10146	36.4
123.11707	22.5
128.94901	5.0
133.10120	20.1
134.29221	4.9
135.11702	24.2
137.13298	7.2
145.10127	9.0
147.11710	5.5
149.13200	8.0
159.11597	5.4
161.13284	10.2
164.10725	9.8
167.74246	5.1
244.99510	5.9
261.22015	8.6
278.67603	6.6
279.23215	32.2
294.51926	5.4
323.11066	5.9
353.26968	33.0
371.27927	48.8
649.50317	35.3
655.56494	7.0
667.51593	58.7
685.52527	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
91.05477	68.4
95.04970	1.2
95.08557	1.1
105.07008	2.0
107.04942	3.9
107.08612	0.9
109.06534	1.3
119.04942	13.9
119.08578	3.4
121.06504	1.1
121.10127	1.5
131.08563	3.8
133.10115	1.5
134.09631	19.3
137.09599	2.0
143.08594	2.3
145.10101	1.2
147.08012	1.0
149.09615	2.1
155.08560	0.9
157.10156	1.9
161.09593	1.7
163.02904	1.1
164.10762	3.8
165.05492	1.3
165.06955	1.4
169.10065	1.9
178.07721	1.0
179.08569	1.3
181.10123	1.2
183.11592	1.4
192.09294	1.8
193.10109	1.8
194.11786	2.2
197.09491	1.0
197.13185	1.2
199.11273	1.7
206.10901	8.4
207.11696	1.4
210.11247	100.0
211.11174	1.6
211.14742	3.2
221.13261	8.4
227.10722	1.7
239.14278	1.8
248.21696	1.0
252.12309	9.9
281.15344	1.0
297.18503	2.2
300.95535	1.0
313.14276	1.1
373.16431	1.4
433.53821	0.9
488.58743	1.0
645.22614	2.1
686.35278	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	686.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34675	0.7
58.79665	0.8
59.09671	0.6
77.91601	0.8
78.15022	0.8
78.48685	0.7
79.05486	4.3
79.37280	0.7
85.71695	0.7
91.05499	1.6
95.33915	0.8
95.81236	0.8
105.07001	1.7
107.04955	74.6
119.05004	0.9
119.08564	0.8
121.10150	1.2
133.06557	1.7
134.09651	24.0
149.05989	21.0
165.06953	0.7
167.08554	1.9
167.30875	0.7
169.10139	2.0
178.07898	0.8
179.08522	1.4
180.09372	1.2
181.10109	1.1
183.11745	1.8
185.09619	0.8
192.09305	1.5
193.10202	1.6
194.11784	100.0
195.11713	1.3
204.09293	1.3
205.89262	0.9
207.11713	3.1
209.13303	6.7
210.11200	1.0
211.11151	1.6
219.11726	3.4
222.10423	1.4
225.12794	1.1
236.12791	5.3
237.12727	5.8
244.12578	1.1
247.11234	1.2
251.14345	0.9
253.12233	0.9
255.13855	1.3
277.15976	0.9
295.16992	1.5
297.14838	3.5
423.05139	1.0
472.24652	1.1
477.25510	1.0
490.26028	1.1
532.26898	5.4
550.27856	11.0
568.28949	6.1
626.31586	1.0
686.35321	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93399	0.5
52.70584	0.7
55.08839	0.6
79.05487	1.3
91.05473	54.3
92.18546	1.2
98.19411	0.7
103.05482	1.2
105.07058	1.4
107.08544	1.2
109.10175	1.3
118.31672	0.7
119.04920	11.3
119.08547	0.9
129.06963	1.0
131.08539	1.2
133.10101	2.6
134.09644	14.5
137.09575	3.3
143.08545	3.1
145.10133	1.1
147.08058	1.5
155.08551	1.0
157.10207	0.8
161.09586	2.7
164.10677	1.3
169.10083	2.9
179.08456	1.1
180.09436	0.8
181.10118	1.3
183.11696	1.3
191.08568	1.4
192.09370	0.9
193.10110	1.3
195.11743	2.4
206.10815	7.9
210.11229	100.0
211.14815	1.4
221.13255	7.9
233.61307	0.7
237.12648	0.8
239.14340	1.4
252.12244	7.7
259.79526	0.7
279.17514	1.4
297.18466	1.6
305.43521	0.8
686.35236	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	686.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65585	1.0
59.43504	1.0
72.04501	1.7
79.05520	8.2
81.03401	1.1
88.61223	1.1
91.05474	68.6
93.07000	1.3
105.07047	2.1
107.04947	75.6
107.08598	1.4
117.06984	1.9
119.04931	14.7
119.08574	2.8
134.09644	74.8
135.07997	3.3
140.40051	1.3
143.48329	1.1
149.05949	21.1
155.08548	1.4
156.36835	1.3
157.10086	2.5
165.06935	1.4
167.08507	5.6
169.10091	5.4
179.08524	5.7
180.09322	1.7
181.10097	6.6
183.11725	2.2
192.10175	1.4
193.10104	2.2
194.11775	80.9
195.11705	2.2
204.09299	1.1
206.10822	1.6
207.11728	2.2
209.13263	9.8
210.11234	100.0
213.12680	1.5
221.13303	2.0
222.10434	1.3
225.12788	1.3
237.12701	1.8
239.14198	1.6
252.12239	4.6
255.13707	4.4
256.65970	1.3
313.17917	1.5
324.40906	1.2
430.23712	2.4
448.24890	10.9
490.25958	4.6
500.48312	1.3
508.26868	24.0
550.27765	2.6
568.28949	1.7
626.33380	10.6
686.34821	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.8
51.02375	1.2
54.71916	0.7
72.04507	1.5
77.03913	0.8
79.05489	4.3
81.07069	0.8
86.13904	0.8
91.05479	66.5
92.05823	0.8
93.07046	1.1
94.66629	0.8
103.05497	1.3
105.07045	4.0
107.04971	8.0
109.06509	1.3
119.04942	14.6
119.08549	3.4
121.10187	0.9
128.06241	1.0
129.07034	1.6
131.08582	1.6
133.10159	3.5
134.09645	15.8
135.10025	3.0
137.09592	1.7
141.06938	0.9
143.08559	3.3
145.10168	1.8
149.05937	1.2
149.09612	1.1
155.08549	1.3
157.10126	1.4
161.09610	3.3
164.10683	14.5
165.06992	0.8
165.11121	6.3
169.10132	3.4
179.08612	1.8
180.09245	1.3
181.10127	1.1
183.11702	1.6
191.08646	1.6
192.09343	1.1
193.10176	3.9
194.11769	4.4
194.60988	0.8
195.11700	1.5
197.09651	1.0
206.10936	8.7
209.13260	1.4
210.11246	100.0
211.11382	1.1
211.14749	1.7
221.13264	5.9
239.14317	1.4
252.12334	7.3
297.18549	1.5
317.46927	0.9
590.05273	1.0
626.32129	4.8
686.35327	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25385	0.5
61.65133	0.6
78.76758	0.5
79.05506	0.7
81.07048	0.6
88.75193	0.6
91.05476	62.9
91.08733	0.5
92.18479	0.7
98.26585	0.6
103.05486	2.0
105.07025	2.3
107.04958	3.5
107.08579	0.8
119.04936	11.6
119.08624	0.9
122.78696	0.6
123.08067	0.5
127.96071	0.5
131.08505	0.8
133.10132	0.9
133.58382	0.6
134.09654	15.5
134.10605	0.8
135.10025	0.5
136.44121	0.5
143.08559	3.0
145.10158	0.6
148.73926	0.6
149.05981	0.6
155.08556	1.1
157.10147	2.4
161.09579	0.8
164.10725	0.8
169.10139	2.3
171.07782	0.6
171.11717	0.6
179.08653	0.7
181.10201	0.6
183.11757	0.7
184.01949	0.5
193.10115	1.0
194.11755	4.3
195.11668	0.9
197.13275	0.8
205.10100	0.6
206.10895	2.5
209.13237	0.9
210.11244	100.0
211.11565	3.1
211.14832	1.3
221.13223	2.3
252.12244	5.4
297.18613	0.7
686.35065	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	686.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95712	0.6
59.64614	0.6
79.05506	0.7
91.05476	61.2
103.05489	0.8
105.07025	1.4
109.06400	0.7
109.10115	0.9
119.04915	11.9
119.08585	2.9
128.06223	0.7
131.08537	1.1
133.10103	2.7
134.09639	14.7
137.09665	1.0
143.08511	1.5
145.10149	1.0
147.08034	1.4
149.09598	1.4
155.08571	1.3
155.12231	0.6
161.09590	1.6
164.10710	1.0
165.05504	0.9
165.06963	0.9
167.08595	1.0
169.10092	1.5
171.11617	1.0
178.07739	0.9
179.08565	3.7
181.10126	1.0
183.11699	2.8
191.08580	3.0
192.09340	3.1
193.10159	3.1
195.11670	3.2
206.10866	8.0
209.13136	1.0
210.11237	100.0
211.14844	1.5
221.13260	8.0
239.14368	1.0
251.17905	0.9
252.12303	9.4
297.18704	2.4
686.23431	1.2
686.35425	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	687.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18006	0.5
64.86045	0.5
72.93767	0.6
89.51534	0.5
90.94825	0.9
91.05488	0.8
97.02870	0.7
119.04931	1.0
132.95842	3.6
137.05963	29.8
144.95805	2.3
145.98978	0.6
158.97394	14.4
168.95876	1.1
170.97409	3.5
172.95370	1.0
176.98471	3.0
186.96883	5.3
188.98370	1.0
194.97432	1.0
198.96877	11.0
204.97928	1.0
208.98956	19.0
216.97935	16.1
217.00035	0.7
224.98381	0.9
227.00008	31.6
234.98961	57.6
238.99994	1.1
247.00600	1.1
249.99231	0.9
250.99997	14.4
252.99960	1.3
259.97723	0.9
262.99963	10.3
265.01617	1.1
269.01038	12.2
275.00034	2.6
277.01660	1.3
281.01129	5.6
283.02695	0.8
287.00055	11.1
293.00974	3.6
295.02716	2.5
305.01038	16.2
353.03439	4.2
371.04214	100.0
379.03421	2.9
389.05429	2.3
412.06522	0.8
447.03036	0.6
525.10358	2.4
533.09515	11.2
609.83484	0.7
687.15729	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	687.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91582	0.5
72.93775	0.8
81.03439	0.6
90.94800	0.6
91.05457	1.0
97.02869	1.2
109.02899	0.7
119.04908	0.5
121.06483	1.0
132.03561	0.5
132.95834	2.5
137.05968	19.9
140.96300	0.8
144.95827	0.9
145.79134	0.5
150.96861	0.5
158.23380	0.5
158.97383	11.1
168.95839	0.5
170.97414	1.8
174.96794	0.8
176.98405	3.1
186.96907	3.6
188.98508	0.9
190.97881	0.8
194.97379	0.5
198.96877	6.6
208.98938	16.2
216.97919	13.0
218.99261	0.8
226.99998	29.3
234.98956	46.6
239.00078	1.0
245.01062	0.7
247.00523	1.0
251.00005	13.0
252.99980	1.1
261.99216	0.7
263.00009	9.6
265.01605	2.1
269.01035	6.1
274.99957	1.9
277.01581	2.8
281.01031	4.8
283.02606	0.9
286.99927	9.6
293.01114	3.4
295.02606	1.0
305.01086	13.6
311.01834	0.5
315.60541	0.6
341.02838	0.7
353.03162	3.4
371.04211	100.0
379.03046	1.9
412.06720	0.8
533.09644	4.4
687.16010	4.9
690.92737	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	687.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71714	1.8
62.88311	2.3
67.05501	10.7
69.07066	2.8
78.37466	2.0
79.05476	3.2
81.07046	12.5
87.25262	2.1
93.06998	2.7
95.08596	9.1
109.10162	4.5
121.10118	3.3
128.35550	2.2
139.03929	2.6
147.04378	3.9
153.01810	9.9
179.03343	2.4
182.74046	2.3
205.04918	2.9
215.96257	3.2
301.14297	2.3
303.16003	3.2
317.17426	2.5
383.21982	22.7
401.23206	100.0
401.27679	3.4
511.88580	2.3
669.43585	26.8
687.44128	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	688.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.9
55.05513	1.0
66.26312	1.2
67.08169	0.9
79.05495	3.5
84.06539	0.9
84.63231	0.9
91.05477	100.0
93.07003	1.0
95.04952	2.0
103.05434	2.1
105.03400	30.7
107.04948	23.1
114.72006	1.1
119.04944	18.8
134.08632	2.1
134.09650	56.7
145.06461	1.1
149.06001	1.9
153.06993	2.0
155.08554	4.3
165.06931	7.1
166.07793	1.7
167.08545	15.3
169.10114	4.5
174.08890	1.2
179.08551	19.3
180.09363	11.2
181.10103	13.9
183.11725	2.1
192.09331	2.2
193.10121	4.7
194.10930	14.7
195.08095	4.8
195.11668	2.5
196.08873	1.8
197.13266	1.2
204.09303	3.7
207.08148	1.4
207.11650	5.4
208.09572	1.3
208.12505	1.6
209.09796	1.5
209.13252	39.6
210.11243	86.5
211.11171	6.2
219.11685	5.4
222.10350	13.0
225.12773	2.3
227.14293	1.4
237.12694	30.7
243.13979	1.5
253.12292	2.3
381.07672	1.0
478.25842	6.5
506.25269	18.8
508.86404	1.2
566.24091	1.2
628.29028	53.5
628.39594	1.9
688.31299	25.2
689.09070	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	688.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
56.19276	0.9
57.10666	0.8
64.92744	1.0
71.86523	0.8
77.03927	1.8
78.73146	0.9
79.05495	11.2
91.05480	6.1
95.04971	9.0
98.35217	1.0
105.03396	65.4
105.04480	4.0
105.07049	1.4
107.04956	100.0
131.04936	3.6
134.09662	22.5
145.06421	1.2
147.08023	1.3
149.05981	19.0
155.08583	5.0
157.06509	1.3
157.10176	1.4
166.46519	1.1
167.08507	1.3
169.10103	1.9
171.08038	1.7
183.07930	1.1
183.11707	2.0
185.09624	2.0
188.26558	0.9
193.10173	1.5
194.11768	54.5
195.08139	1.2
207.11589	1.0
209.09538	1.6
209.13255	1.3
211.11212	5.2
213.09137	1.4
217.09940	1.1
223.11330	1.2
225.12697	4.8
229.12285	1.5
253.12346	6.2
271.13281	4.6
319.58151	1.0
331.15356	1.4
379.60083	1.1
495.20248	2.2
503.51151	1.4
539.82654	1.0
587.37878	1.2
589.37433	1.2
610.27612	3.5
688.31134	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26672	0.6
53.03965	1.3
63.93706	0.6
75.84027	0.6
75.84431	0.7
79.05502	11.7
86.48071	0.7
95.04955	4.0
105.03400	39.2
105.04476	1.2
105.07053	0.9
107.04958	100.0
118.68510	0.7
134.09637	13.1
141.70053	0.6
149.05972	16.3
155.08585	0.8
169.10205	0.9
183.11708	1.0
194.11768	83.3
209.09694	0.9
211.11235	1.4
213.09189	1.4
223.11285	1.2
225.12732	1.1
253.12213	1.7
272.42462	0.7
495.19879	1.0
557.19281	0.8
610.28076	6.9
628.29095	0.8
688.31146	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71419	0.8
79.05484	1.8
81.03411	1.2
91.05479	100.0
93.07037	1.3
95.04947	5.4
103.05455	4.0
105.03401	42.9
105.04494	2.0
105.07013	4.7
107.04974	12.2
110.85725	0.9
117.07018	3.9
119.04935	23.5
119.08620	1.2
121.06528	1.2
129.06992	4.7
134.08621	2.4
134.09650	70.0
141.06944	1.3
143.08594	3.7
145.06465	1.4
147.04405	1.6
148.40866	1.0
149.82629	1.1
153.07018	1.5
155.08546	13.1
164.10759	1.5
165.05652	1.5
165.06982	11.8
166.07736	5.8
167.08548	25.4
168.09322	1.0
169.10155	6.3
178.07730	2.3
179.08549	29.0
180.09302	14.0
181.10106	21.8
182.10948	1.0
183.11684	3.9
192.09296	12.3
193.10133	15.4
194.10797	29.0
195.08090	4.4
195.11661	11.0
197.13396	1.0
203.08611	1.5
204.09325	9.0
206.10913	1.6
207.11661	14.1
208.09758	2.3
208.12474	2.3
209.13242	62.1
210.11250	74.8
211.11205	4.6
211.14658	2.0
219.11655	12.4
221.13255	5.0
222.10303	10.2
225.12938	1.3
237.12743	21.6
239.14336	4.2
255.13779	1.9
297.14890	6.1
301.49930	1.0
356.78702	1.0
429.61102	1.2
446.23166	15.0
506.25259	26.8
610.27313	1.5
628.28967	78.7
650.63910	1.4
688.30762	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	688.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12566	0.9
52.37187	1.0
60.49704	1.5
71.06697	1.2
79.05476	5.0
89.77543	1.1
91.05477	100.0
95.04976	2.3
103.05457	5.0
105.03380	33.2
107.04948	31.7
119.04932	19.3
129.06979	2.0
131.04950	1.4
134.09642	63.9
143.08533	1.6
149.05951	4.7
155.08508	1.9
157.06505	3.0
165.07002	9.7
166.07724	1.7
167.08554	16.1
169.10114	2.6
173.09576	3.0
179.08560	18.0
180.09315	12.3
181.10104	15.7
183.11714	3.0
192.09338	1.5
193.10178	5.6
194.10904	12.4
194.11798	11.4
195.08044	5.0
195.11676	4.9
196.08806	2.3
197.09612	1.9
197.13274	2.8
204.09384	2.4
207.08005	1.8
207.11693	7.1
208.12407	1.6
209.09744	1.6
209.13237	42.4
210.11240	93.6
211.11169	8.2
219.11729	5.2
222.10303	11.8
225.12712	6.7
227.14195	1.5
235.11206	1.9
237.12703	32.6
239.14371	2.5
243.13777	2.5
253.12250	2.8
271.13226	1.7
297.14841	1.6
298.75848	1.1
311.16449	1.4
440.65326	1.3
478.25946	10.5
506.25269	16.4
628.29034	46.9
688.31146	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
57.94161	1.0
63.23762	1.0
63.89254	0.9
65.03950	1.5
66.21921	1.1
74.10906	1.0
77.03915	1.3
79.05515	8.5
86.95415	1.0
89.16480	1.1
91.05481	100.0
95.04950	7.0
103.05462	4.9
105.03394	67.1
105.04477	2.0
105.07019	5.6
107.04957	51.3
114.30345	1.2
117.07034	4.9
117.44894	1.1
119.04928	19.5
119.08608	1.4
129.07010	2.3
131.08531	1.5
134.09656	66.3
134.77776	1.0
143.08586	2.7
145.06424	3.9
147.04443	1.5
149.05971	7.1
153.06975	1.6
155.08559	11.4
165.06995	13.1
166.07727	2.5
167.08557	20.2
167.35417	1.1
168.09206	1.4
169.10120	7.5
178.07835	1.6
179.08562	25.7
180.09261	16.7
181.10120	21.6
183.08003	1.7
183.11684	1.5
192.09259	11.1
193.10100	18.8
194.10909	23.6
194.11765	19.6
195.08046	2.4
195.11647	10.1
196.08736	1.3
197.13254	2.5
204.09348	9.1
206.10924	5.8
207.11687	15.0
208.09837	2.1
209.09602	1.5
209.13257	54.6
210.11273	75.9
211.11252	4.2
211.14870	1.8
216.73573	1.1
219.11714	10.7
220.08836	1.9
221.13248	6.3
222.10385	12.5
225.12746	6.1
235.11226	8.5
237.12724	24.5
239.14230	1.2
252.12338	1.7
253.12279	6.5
297.14868	2.3
313.80209	1.4
318.09219	1.2
322.21967	1.2
371.19611	1.3
446.23123	13.9
488.24045	1.6
506.25391	26.1
628.29089	78.0
688.30994	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98503	1.8
55.05503	10.7
56.80340	2.3
69.59603	2.2
83.04984	22.5
85.44468	2.2
95.04966	3.5
95.59583	2.3
102.31156	2.3
105.03394	100.0
105.04489	2.9
105.07023	3.6
133.06467	4.3
147.08118	3.6
161.09587	3.0
166.38293	2.3
169.96715	2.4
199.11159	10.3
211.11227	11.2
223.11208	4.2
225.12801	9.9
227.10664	9.8
253.12274	4.6
293.15158	3.5
311.16602	2.7
345.64532	2.4
353.17465	3.5
375.15878	31.7
382.24716	3.1
434.80594	2.8
435.18073	12.4
440.39160	2.6
575.26294	4.3
593.27051	2.3
649.74188	2.6
674.86652	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	688.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27793	2.4
57.24890	2.1
58.76124	2.4
66.37145	2.7
76.84120	2.8
78.49448	2.7
103.05460	11.5
105.64884	2.7
107.04932	26.4
112.79662	2.6
118.90392	2.6
123.04420	3.9
131.04901	37.7
134.09648	100.0
149.05945	5.4
149.08382	4.4
150.09148	12.8
194.11775	41.6
209.13361	3.8
243.76605	2.8
244.11819	10.7
451.16235	2.5
508.30673	3.7
580.32336	13.5
628.34692	26.0
688.36548	16.5
719.24884	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	688.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96653	2.2
77.69499	2.2
88.05201	2.4
90.20602	2.3
92.35143	2.5
93.07011	2.8
95.04990	3.0
103.05453	5.2
105.07020	4.9
107.04926	21.8
107.08604	2.8
116.07051	3.9
123.04423	12.5
129.06981	2.5
131.04907	37.3
134.09644	100.0
134.10620	5.0
150.09106	17.0
190.43201	2.4
194.11771	38.4
244.11874	3.8
628.35052	19.0
688.36768	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	688.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80082	0.8
55.34081	0.9
55.92358	1.1
57.01945	1.0
78.27616	0.9
81.07064	1.9
83.04977	1.3
91.05479	79.6
92.05812	1.1
103.05446	1.6
105.07056	2.4
107.04958	2.3
107.08586	1.7
109.10154	2.0
119.04929	13.3
119.08575	4.7
121.10136	4.7
129.06973	1.5
133.10135	6.1
134.09653	18.7
135.11646	1.8
137.09653	1.2
145.10071	1.5
147.11577	1.2
149.09628	6.1
151.11206	6.3
157.10144	2.0
171.11693	1.8
173.13284	1.3
179.10521	1.4
180.53119	1.1
181.12274	4.6
185.09647	2.0
207.58794	1.1
210.11249	100.0
211.11511	4.3
211.14638	1.3
213.12726	1.8
218.01729	1.1
221.13152	1.6
240.30214	1.2
269.19000	1.8
281.18997	2.2
299.20154	1.9
359.21973	1.7
518.75189	1.3
564.00537	1.4
688.36890	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	689.272
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23087	1.4
66.24223	1.5
75.27710	1.4
82.72810	1.8
93.07013	2.2
104.83344	1.8
105.07014	2.9
107.08585	2.6
119.08588	9.1
121.10187	2.1
129.05193	1.6
131.04950	12.9
133.10153	1.7
143.08604	3.0
145.10056	1.9
155.08563	2.3
157.10146	3.4
169.10184	3.6
171.11667	2.7
183.11688	8.2
193.10120	2.0
195.11682	3.1
197.13394	1.8
207.11708	3.2
221.13271	3.7
246.24712	1.8
248.15552	3.6
258.69681	1.7
263.17957	12.7
266.39093	1.6
281.18964	3.5
569.23468	3.7
629.24982	65.4
689.27173	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	689.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
57.03455	1.5
61.02911	2.4
63.17140	1.7
67.05483	2.4
69.03430	14.4
73.29398	1.6
79.05479	3.4
81.03407	3.2
81.07069	3.3
83.04973	2.6
85.02916	19.3
85.26414	2.0
91.05455	7.5
91.70798	1.7
92.17857	3.1
93.07034	9.2
95.04966	12.9
95.08604	3.7
97.02869	10.2
105.03394	100.0
105.04484	3.0
105.07020	20.4
107.04961	1.7
107.08581	9.3
107.19572	1.6
109.02831	7.8
109.06520	6.3
109.10152	2.1
117.07015	2.6
119.08559	3.2
121.06470	10.0
121.10120	11.3
123.08067	6.7
127.03920	2.9
131.08554	9.1
133.06477	20.2
133.10139	9.4
135.08052	7.6
137.06010	3.3
137.09610	9.2
143.08559	4.0
145.10133	3.4
147.08037	7.1
149.05975	6.6
149.09593	12.4
151.07547	6.6
151.11174	3.1
157.10138	3.5
159.07986	6.6
161.05885	1.8
161.09587	6.5
165.05602	1.8
165.06902	2.6
169.10193	5.0
171.08003	2.5
171.11650	3.6
173.09612	3.4
175.07570	2.5
177.09135	2.8
179.08603	2.4
181.10065	2.2
183.07982	2.9
183.11649	6.1
185.09534	2.1
185.13290	3.0
187.11058	2.9
193.10181	3.2
195.11687	6.6
197.09569	8.8
197.13251	2.3
199.11128	3.6
199.33299	1.8
201.12894	1.9
206.10939	2.3
209.09583	6.3
209.13284	2.9
211.11156	6.6
213.12741	3.6
220.12466	3.6
221.13168	1.9
223.11259	6.6
224.12004	2.0
225.09181	1.9
225.12744	2.4
227.10678	2.6
229.12303	2.4
235.14841	3.8
237.12851	2.5
239.14252	2.1
241.12245	3.9
248.11961	1.8
253.15907	3.1
255.13936	2.2
263.14319	6.9
264.63037	1.6
266.12894	1.9
267.13727	2.6
269.11853	2.3
274.39182	1.8
281.15347	10.6
291.13834	4.0
299.16449	8.8
309.14969	14.2
321.71191	2.1
327.15924	34.3
345.16849	21.3
387.18073	9.5
404.46100	2.0
405.18982	7.1
449.19394	3.6
509.21622	3.0
567.19250	2.2
651.93939	1.7
689.23163	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	689.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31873	1.8
50.68518	1.9
53.01577	1.7
77.70454	2.2
89.61656	2.0
90.74883	1.9
92.69075	2.5
106.43325	2.5
107.08579	4.5
117.07061	2.6
119.08589	3.2
121.10087	2.5
125.50069	2.5
131.04924	5.3
131.93561	2.2
133.10133	3.2
137.09631	3.8
143.08586	5.2
145.10095	2.7
147.07994	3.1
157.10188	3.4
161.09596	2.7
169.10173	2.8
171.11739	4.2
181.10040	8.0
193.10028	4.2
195.11626	4.5
206.10905	3.6
209.13292	10.2
221.13208	4.9
240.55064	2.3
246.14189	2.6
361.17661	2.8
513.74658	2.7
689.29248	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	689.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
76.82102	0.8
81.07049	1.9
91.05463	1.5
92.17896	1.0
93.07042	2.2
95.08596	2.0
105.07034	8.3
107.08568	1.8
119.08571	17.9
121.10160	1.9
123.08033	1.2
129.07027	0.9
131.04898	3.7
131.08562	7.0
133.10152	3.0
135.08026	1.0
143.08569	7.0
145.06462	1.3
145.10069	6.8
147.08118	1.4
155.08565	5.9
157.10107	7.3
159.08055	2.1
161.09634	1.0
167.08537	1.6
169.10124	3.9
171.11684	2.1
179.08569	2.2
181.10114	5.5
183.11752	2.2
185.13257	0.9
193.10059	2.0
195.11690	8.8
197.13177	0.9
198.65405	0.9
204.09422	1.9
205.10197	1.7
206.11028	1.2
207.11714	3.9
209.13304	5.7
211.11169	1.4
217.10051	1.7
219.11691	5.0
221.13298	2.0
223.11316	2.1
231.11768	1.9
235.14786	2.1
237.12828	1.6
237.16254	1.6
246.14128	3.8
251.17958	4.3
252.44862	0.9
261.16296	2.0
276.71307	0.8
279.17456	6.0
297.18573	1.8
361.17844	2.2
379.18866	1.3
421.19638	8.0
481.22336	4.9
537.18365	1.1
541.23981	8.1
689.29309	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	689.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31705	0.3
51.19265	0.4
55.05511	0.6
57.03435	0.6
60.94081	0.4
61.02924	2.8
67.05508	3.0
69.03416	0.5
69.07043	0.9
73.02903	2.4
79.05496	5.3
81.03410	1.6
81.07053	2.8
83.04958	0.5
83.08647	0.4
85.02898	3.0
91.03952	3.3
91.05489	2.9
93.07026	5.3
95.08612	0.9
97.02892	1.7
101.02367	2.0
103.03951	0.4
105.07021	3.8
107.08583	1.6
109.02887	0.6
109.06511	0.6
119.08586	2.1
121.10112	0.6
123.08094	0.8
127.03901	1.8
129.06985	1.6
133.10146	0.9
145.10146	0.9
147.11694	4.9
161.09651	0.6
161.13290	1.7
167.86909	0.4
170.12263	0.5
171.11703	3.0
185.04239	0.6
189.12695	0.8
191.57878	0.5
199.30975	0.4
203.05270	0.5
207.13698	0.7
243.08354	2.9
247.12961	3.6
255.45837	0.4
281.17688	0.7
303.15720	1.7
459.58627	0.5
465.20944	18.2
523.12891	0.4
689.35040	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	689.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.03430	0.8
61.02919	2.7
67.05502	4.0
69.03426	2.1
69.07037	0.5
73.02913	2.3
79.05503	5.9
81.03419	1.8
81.07037	3.1
83.04990	0.7
85.02908	2.6
91.03945	2.8
91.05463	4.1
93.07045	4.5
95.04961	1.7
95.08604	2.9
97.02899	2.5
97.64431	0.5
99.04437	0.7
101.02377	1.0
105.07007	3.9
106.45242	0.4
107.08615	0.9
109.06490	0.4
117.07042	0.6
119.08607	1.9
121.10148	1.0
121.63261	0.4
123.08054	0.6
127.03941	0.9
129.07033	1.0
133.10130	0.6
143.08501	0.7
147.08037	0.5
147.11655	4.3
171.11665	2.6
189.12726	0.7
207.13872	0.7
243.08299	4.1
247.13074	3.7
281.17563	0.9
303.15790	0.6
309.93097	0.5
465.20959	19.5
538.84540	0.5
689.35071	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	689.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38790	0.4
54.39167	0.4
54.87084	0.4
55.05516	0.6
57.03429	0.5
61.02937	3.6
63.43308	0.4
67.05495	3.3
69.03422	2.3
69.07070	0.7
69.11353	0.4
69.57251	0.5
71.39565	0.5
73.02919	2.0
79.05497	4.8
81.03419	1.9
81.07074	3.4
83.40412	0.5
85.02900	3.9
91.03951	2.9
91.05470	4.2
93.07034	4.2
95.04958	1.0
95.08605	2.2
97.02913	3.4
101.02378	1.1
101.13646	0.5
105.07026	2.9
107.08597	2.5
115.03986	0.5
119.08565	2.1
123.08026	0.9
127.03939	2.1
129.07011	2.2
133.10123	1.0
142.27023	0.5
145.10089	0.7
147.11682	3.8
161.13217	0.9
171.11623	3.5
189.12791	0.7
207.13847	1.0
243.08429	2.8
247.12921	4.3
281.17523	0.7
303.15680	1.0
374.86081	0.5
465.20908	16.0
689.35059	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	689.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10518	1.8
55.05513	8.4
56.13805	1.7
67.05517	15.0
69.07060	9.8
79.05479	2.6
80.97142	2.0
81.07043	11.5
82.57468	1.8
83.08612	3.9
93.07057	3.8
95.08603	9.6
95.95229	2.0
97.10198	2.7
107.08577	3.5
109.10127	7.6
119.08588	1.9
121.10129	4.8
133.10139	2.6
135.11623	2.7
139.03882	3.5
153.01811	20.9
167.93260	2.0
179.03389	3.3
205.04942	14.5
231.06470	3.5
246.97435	1.9
261.11172	2.2
275.12793	3.4
289.14426	7.1
301.14429	4.3
303.15955	12.1
304.39249	2.5
315.15900	12.0
317.17447	12.1
329.17422	9.2
331.19028	3.6
343.19104	7.0
373.23398	2.7
383.22238	17.2
385.23679	100.0
401.23129	60.6
403.19720	3.8
403.24802	83.7
496.11420	2.3
650.98779	2.4
653.44122	33.8
671.45245	31.1
674.49066	2.6
689.46185	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	690.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23417	1.5
52.90258	1.6
54.91339	1.8
55.70046	1.8
81.07062	2.4
83.05014	2.3
85.36089	1.6
89.80428	2.1
91.05477	3.3
95.04977	13.5
97.06505	2.1
105.03398	100.0
105.04487	6.0
105.07041	10.8
107.04901	1.9
107.08604	2.5
109.10117	2.3
118.74882	1.7
119.08569	2.3
121.06490	4.1
121.10119	2.1
123.08083	2.2
127.08836	1.9
131.04955	1.9
131.08548	7.0
133.06483	12.8
133.10133	4.1
135.08038	2.5
137.09624	3.1
143.08578	4.2
145.10071	2.4
147.08089	3.5
149.02374	2.0
149.05986	2.0
155.08556	8.9
155.16328	1.9
157.10138	4.1
159.08029	4.2
161.06020	2.3
161.09637	3.1
167.08522	1.9
169.10123	9.7
171.08041	7.7
171.11674	7.9
173.09686	3.6
175.07472	2.6
177.09087	3.1
181.10071	3.1
183.08073	2.4
183.11708	11.2
185.09666	3.8
192.09361	3.2
193.10156	2.6
195.08043	2.9
195.11636	15.6
197.09613	4.3
197.13196	3.2
199.11226	11.0
207.11685	9.5
209.09668	3.7
209.13281	3.9
210.10416	2.4
211.11118	13.7
213.09100	2.7
213.12714	4.1
217.10124	2.2
221.13425	2.8
223.11198	8.2
223.14851	2.9
225.12781	14.1
227.10654	13.0
232.12465	3.2
235.11299	3.3
235.14693	2.4
237.12845	2.7
241.12273	3.3
241.16011	2.0
247.14809	6.9
248.06822	2.1
249.12759	2.6
250.13480	2.6
251.14462	4.0
253.12262	11.7
260.11969	2.8
263.14243	2.7
265.15897	19.4
269.11801	3.0
269.15225	3.0
271.13251	7.4
275.14252	3.0
281.15237	3.1
283.16907	4.0
293.15332	22.1
311.16354	24.6
313.14429	2.2
329.17422	2.7
329.84869	2.0
353.17426	6.4
371.18524	13.4
375.15680	2.4
415.18884	3.8
433.20129	2.1
435.18185	2.5
535.23383	7.2
553.24170	14.9
595.25232	7.7
617.18085	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	690.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42482	2.5
54.56024	2.5
55.40889	3.0
56.13087	3.3
59.71144	2.7
63.67804	3.1
65.21454	3.1
69.03438	4.1
71.09372	2.9
79.05476	5.2
83.05009	3.4
93.07036	8.0
95.04965	4.2
105.03385	6.9
105.07021	16.6
109.06553	4.5
119.08537	5.5
121.06494	16.8
131.08601	3.4
133.06503	7.4
133.10048	3.1
135.08090	4.4
143.08560	8.0
149.09631	3.4
151.07544	13.7
157.10098	4.6
159.08037	6.7
161.09589	21.7
167.08611	3.8
169.10132	12.4
171.08032	4.2
173.09686	5.2
177.09053	3.5
179.08568	6.3
181.10118	16.3
183.11729	4.9
185.09642	4.8
193.10132	12.2
195.11644	15.7
196.08780	4.1
197.09598	28.6
198.10303	5.5
199.11145	75.5
207.11668	8.0
209.09601	25.1
211.11195	81.2
223.11209	24.3
225.12703	45.6
227.10641	69.8
232.12520	4.4
235.11172	4.3
235.14836	6.4
237.12691	4.5
237.16380	4.1
241.12299	5.4
249.12790	4.8
251.14444	4.9
253.12262	32.4
262.70059	3.8
263.14340	5.8
265.15881	20.4
269.11716	3.5
271.13251	18.0
275.14246	7.2
283.16946	6.1
293.15408	13.4
311.16360	18.1
313.14316	100.0
353.17560	5.7
368.49533	3.3
371.18607	17.3
373.16525	39.1
408.25818	3.6
413.19165	4.0
420.09525	3.3
431.20822	8.0
457.89877	3.2
473.21729	3.9
533.23407	6.0
666.29114	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	690.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97288	1.4
70.62519	1.8
72.31393	1.5
93.07033	4.0
95.04955	3.5
105.03403	27.9
105.07022	9.7
107.08614	2.3
109.06487	1.7
112.54418	1.8
121.06467	8.7
122.06036	2.1
129.07030	2.9
131.08600	2.0
133.06483	13.8
133.10062	2.5
135.08058	4.2
143.08539	7.7
145.06532	2.6
145.10097	1.9
146.07190	1.7
147.08054	2.8
149.05939	2.2
149.09607	1.9
151.07587	2.1
155.08565	7.3
157.10095	3.3
159.08037	3.9
161.09637	9.9
163.11140	2.3
167.08522	4.2
169.10104	6.9
171.08031	2.9
171.11604	2.4
173.09619	4.2
175.07506	1.8
177.09085	3.4
179.54799	1.7
181.10143	9.9
182.10930	2.6
183.08063	2.0
183.11711	9.1
185.09552	4.2
189.09096	2.0
192.09340	7.1
193.10155	10.3
195.08073	2.8
195.11671	18.4
197.09621	10.4
197.13245	11.7
199.11197	14.5
201.09166	3.7
205.10220	2.5
207.11748	16.8
208.08771	3.9
208.12527	3.4
209.09581	11.0
209.13277	7.5
210.10416	7.1
211.11176	30.9
211.14664	2.2
213.09128	3.6
213.12773	7.1
215.10797	2.1
217.10165	2.2
220.08908	2.4
221.13295	3.5
222.14081	2.3
223.11179	27.8
223.14801	3.4
225.09166	7.1
225.12704	20.2
227.10616	12.0
232.12456	5.9
233.09572	3.4
233.13411	3.1
235.11098	11.8
235.14780	3.9
237.12799	3.5
237.16341	3.2
239.14313	3.7
241.12251	16.8
241.15791	1.9
247.14854	10.3
248.11810	2.0
249.12790	2.9
251.10719	2.4
251.14417	4.9
253.12206	23.1
253.15973	2.3
260.11938	2.6
263.14407	3.7
265.15845	17.6
267.13889	3.5
269.11792	2.6
269.15475	2.3
271.13367	3.4
275.14307	9.2
281.15414	8.1
283.16989	6.8
293.15283	26.7
299.16595	2.5
304.73181	2.0
311.16339	17.3
313.14389	13.2
329.17380	4.0
331.15482	1.9
341.17621	2.5
352.38483	1.8
353.17303	19.3
371.18423	13.7
373.16428	100.0
413.19571	3.9
428.37045	1.8
431.20569	11.8
473.21881	8.7
491.22827	22.7
533.23395	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	690.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83862	1.1
60.83230	1.1
64.02600	1.1
72.49294	1.3
79.05502	9.8
81.07064	1.5
87.81964	1.2
91.05466	2.7
93.07042	1.6
93.25854	1.1
95.04985	1.9
105.03389	14.6
105.07054	2.4
107.04946	100.0
108.05289	2.1
117.07014	2.0
119.08578	2.5
130.43091	1.2
131.04951	2.0
134.09653	14.0
135.08041	1.9
143.08585	3.1
149.05975	18.3
157.10118	5.6
159.08060	2.2
167.08571	7.4
169.10159	2.6
179.08582	6.0
180.09344	1.4
181.10112	5.0
185.13318	2.1
194.11809	64.4
195.12006	5.6
199.14813	4.7
204.09323	1.3
207.11868	1.3
209.13205	18.6
222.10298	1.7
227.14357	16.5
255.13853	5.6
315.15756	2.1
358.71875	1.3
474.85638	1.5
490.58865	1.3
550.28339	1.7
652.16418	1.3
672.31671	17.8
690.32623	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78259	0.6
53.10412	0.7
58.91259	0.7
66.81134	1.1
69.03415	1.3
70.80926	0.8
79.05483	9.2
87.79127	0.8
91.05459	1.6
95.04955	1.6
105.03380	6.5
105.07028	7.5
107.04948	100.0
119.08559	3.7
119.87938	1.1
134.09654	9.0
143.08545	4.8
149.05972	15.6
157.10104	9.9
165.06906	1.1
167.08542	4.7
169.10106	3.7
171.11542	1.2
179.08531	1.7
180.09322	1.5
181.10106	4.9
181.22029	0.8
183.11687	11.9
185.13274	4.9
194.11787	64.6
195.11519	0.9
199.14778	1.4
202.89558	0.8
203.14301	1.2
209.13202	12.3
210.11243	1.4
211.11562	0.9
219.11549	1.4
222.10349	1.3
227.14284	4.5
237.12692	3.2
245.15280	8.2
249.07065	0.8
255.13797	1.6
273.14758	1.4
306.24155	0.9
315.15823	5.5
581.34686	1.0
590.67694	1.0
672.31720	11.7
690.32550	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20991	0.7
54.76183	0.8
67.05480	0.9
79.05496	8.9
81.07046	1.1
91.05507	1.5
105.03390	5.8
105.07011	4.5
107.04956	100.0
119.04831	1.2
119.08582	1.5
131.08598	1.2
134.09680	9.0
143.08549	1.7
149.06006	16.5
155.08635	1.4
157.10135	6.2
167.08549	4.1
169.10103	5.6
177.09067	1.1
180.09315	1.2
180.48842	1.1
181.10120	1.2
183.11714	2.1
185.09641	1.0
185.13255	3.9
193.10173	1.1
194.11777	77.2
195.11681	3.4
199.11145	1.1
199.14822	1.6
209.13280	5.0
211.14716	1.1
227.14322	4.4
237.12755	1.2
239.14470	1.7
245.15335	1.2
255.13779	1.3
315.15976	2.0
340.28400	1.0
450.26501	3.9
614.31122	1.4
672.31873	2.0
690.33069	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53191	1.8
53.82704	2.0
56.73071	1.7
60.45602	1.7
60.66082	1.7
65.03431	1.9
71.05465	1.8
73.18504	2.0
73.86577	1.9
79.05480	8.9
84.95036	2.0
88.15314	2.0
105.07019	12.5
107.04951	100.0
119.08578	3.9
126.09252	1.9
134.09645	15.7
141.82886	2.0
143.08563	2.5
149.05965	16.9
169.10143	4.1
183.11652	3.7
185.13283	3.5
194.11786	75.2
195.11726	4.4
206.10777	2.7
211.14711	2.8
221.13229	3.7
239.14160	2.3
240.33794	2.3
269.70544	2.4
474.27130	2.3
492.27496	20.9
614.31396	15.6
690.36310	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75960	1.0
57.08993	1.0
67.02907	0.9
79.05499	8.9
83.66910	1.0
91.05490	2.3
92.17901	2.5
93.07028	1.7
93.78685	0.9
95.04971	2.5
95.08514	1.1
102.93528	1.0
102.97547	1.0
105.03407	17.3
105.07041	4.9
107.04955	100.0
109.10143	1.2
113.07758	1.1
114.89870	1.0
119.08581	5.4
129.06969	1.8
134.09653	21.9
141.06898	1.2
143.08566	4.1
145.06467	1.5
147.08037	1.4
149.05975	23.2
150.09132	9.0
155.08667	1.6
157.10133	2.1
159.08083	1.4
165.06999	1.8
169.10156	6.6
171.11641	1.1
179.08627	1.8
181.10181	1.7
183.11719	6.4
185.09586	1.7
185.13289	5.0
191.08623	2.0
193.10178	2.1
194.11766	82.1
195.11792	7.3
197.09621	1.3
197.13264	2.0
204.83910	1.1
206.10904	6.5
209.13345	4.3
211.14828	5.6
213.12814	4.8
219.11540	1.2
221.13231	11.8
239.14371	9.9
241.12213	1.6
251.18036	2.0
257.12292	1.1
269.19128	4.7
271.89319	1.0
279.17624	1.5
297.18594	6.2
428.75632	1.3
460.78577	1.0
469.76773	1.1
471.39459	1.1
474.26236	7.6
475.38092	1.1
596.30060	17.0
614.30981	11.9
672.35748	1.5
690.36395	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76035	1.7
53.36300	1.5
57.11790	1.8
62.50984	1.7
74.59319	1.8
79.05482	9.7
80.67047	1.8
86.34544	1.7
95.04986	2.6
105.07035	9.5
107.04955	100.0
114.37743	1.9
119.08575	4.1
131.08578	3.6
133.10155	2.3
134.09615	12.9
134.50044	2.1
135.46165	2.0
143.08568	3.6
148.13846	2.3
149.05942	19.7
157.10095	3.3
169.10156	4.3
185.13364	2.8
194.11769	66.3
195.11708	8.4
206.10977	3.7
211.14868	3.8
221.13274	3.2
223.04942	2.2
239.94017	2.4
279.17310	2.2
297.18509	2.9
359.57208	2.2
474.26062	2.8
492.27457	28.9
614.30823	11.3
690.36407	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70914	1.2
54.94589	1.2
55.05499	1.5
56.81063	1.1
61.74931	1.3
62.73413	1.2
70.10864	1.3
72.65416	1.4
79.05492	9.4
91.05470	1.3
93.07064	2.6
95.04942	1.8
105.03409	12.9
105.07037	6.2
107.04954	100.0
119.08546	5.7
131.04918	1.5
131.08553	1.9
132.35165	1.4
134.09659	23.1
143.08557	2.3
149.05974	23.5
150.09128	8.5
155.08565	2.2
157.10133	3.0
167.08633	2.4
167.46860	1.5
169.10117	6.2
179.08574	2.1
181.10063	2.2
182.29175	1.6
183.11682	6.4
185.13304	2.9
193.10025	2.2
194.11758	84.1
195.11700	9.1
197.13197	1.7
206.10930	5.3
209.13231	2.3
211.14799	5.9
213.12675	2.7
221.13214	12.8
239.14293	8.5
269.18857	2.8
279.17477	1.7
297.18427	6.1
469.99133	1.4
474.26428	8.5
596.30127	20.3
614.31348	14.2
690.36401	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	690.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79776	0.9
55.05507	0.9
63.90910	1.1
67.17294	1.1
75.74622	1.0
79.05508	10.4
91.05466	1.1
93.07034	1.5
95.83698	1.2
105.03394	2.4
105.07038	13.8
107.04948	100.0
107.08586	1.7
117.06956	1.2
119.08574	6.3
121.10144	1.7
129.97234	1.1
131.08574	1.3
133.06522	1.2
134.09654	18.2
135.08110	1.3
135.11681	1.1
143.08542	2.7
149.05975	21.3
155.08539	4.6
157.10101	4.7
167.08533	1.3
169.10101	5.1
180.09270	1.5
183.11661	2.7
185.13208	2.7
193.10114	1.7
194.11763	79.3
195.11710	9.3
197.13168	1.7
197.72343	1.1
206.10924	6.7
209.13211	1.7
211.14835	6.0
213.12778	2.1
221.13344	4.8
239.14349	4.8
269.18896	2.0
297.18320	2.1
344.44003	1.4
474.26242	1.7
474.62363	1.1
492.27402	27.9
543.55914	1.3
614.31116	19.5
690.36383	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50583	0.7
60.42172	0.8
66.81883	0.9
69.07056	1.0
72.55653	0.8
79.05486	10.1
81.07021	1.4
83.30772	1.0
91.05473	1.8
93.07037	2.2
95.04952	1.2
96.22070	0.9
105.03419	2.2
105.07030	15.2
107.04955	100.0
107.08598	1.3
111.18562	0.9
119.08581	6.1
121.10105	1.6
129.07036	1.3
131.08601	3.6
134.09651	14.1
135.11757	1.4
138.49998	1.1
143.08624	3.2
145.10104	1.6
149.05984	20.8
149.09703	1.1
155.08582	4.1
157.10129	4.0
167.08565	1.2
169.10069	6.8
179.08589	1.8
180.09406	1.0
181.10199	1.5
183.11723	6.0
185.13290	4.1
192.09198	1.2
193.10135	1.3
194.11780	71.5
195.11748	6.0
197.09846	1.1
197.13335	1.9
206.10933	2.0
209.13353	1.5
211.14803	6.7
213.12827	1.9
221.13211	6.4
239.14380	3.7
269.19016	3.5
297.18436	2.1
304.01282	0.9
333.90027	1.0
360.57388	1.1
375.21631	1.1
403.13571	1.2
474.26614	3.7
492.27396	26.1
492.33981	1.3
551.54852	1.2
574.93402	1.1
614.31110	14.5
690.36438	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93739	1.2
60.05116	1.1
60.33927	1.1
62.63384	1.0
79.05491	6.4
92.49312	1.2
93.07038	1.4
105.03407	2.0
105.07030	15.5
107.04952	100.0
107.08558	2.1
117.06973	1.6
119.08566	4.9
131.08592	2.1
133.10143	1.3
134.09625	15.6
141.20567	1.1
143.08533	2.8
147.08083	1.4
149.05981	22.0
155.08551	2.8
169.10153	2.3
181.09943	1.6
183.11714	4.8
185.13214	5.8
194.11760	70.8
195.11694	5.1
196.12608	1.4
197.13205	2.7
206.10869	5.2
209.13234	2.4
211.14828	8.0
213.12741	2.4
221.13298	6.4
224.79984	1.4
239.14322	4.9
248.05006	1.2
261.93683	1.1
269.19034	2.1
281.15771	1.3
297.18491	2.5
491.95419	1.6
492.02631	1.5
492.27356	24.8
514.21313	1.3
614.31146	17.1
690.36371	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.47
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	6.5
69.92603	1.3
73.48268	1.4
74.34239	1.5
82.32238	1.4
86.09706	21.5
92.18503	2.3
93.07001	1.5
124.99986	13.7
161.00330	1.6
184.07335	100.0
238.57547	1.6
241.97316	1.6
275.62030	1.8
295.54401	1.7
480.03607	1.7
519.95654	1.6
542.22601	1.8
633.79901	1.6
650.27454	1.8
690.47015	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59042	0.9
54.21874	1.0
56.56682	0.9
66.60079	0.8
67.05481	1.1
70.44094	1.0
81.90331	1.0
83.04958	1.8
97.06509	2.3
99.08082	1.5
101.38186	1.1
109.10169	9.5
121.06514	2.4
133.10063	1.3
137.09631	5.2
149.06012	2.0
151.11176	6.7
161.05931	1.8
163.07506	1.2
167.07152	1.5
177.05453	1.3
179.07036	22.6
179.10713	6.3
193.88486	1.1
201.26828	1.1
203.10721	1.1
213.08998	1.0
219.10194	1.0
221.42032	1.0
228.08011	1.0
245.11816	1.8
253.12401	1.0
257.11542	1.1
289.14432	8.2
331.18884	1.4
341.13245	1.0
539.22565	3.9
641.08789	1.1
649.30023	2.4
691.34753	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	691.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93906	3.3
55.05499	3.8
62.99704	4.2
67.05504	67.8
69.07069	6.4
72.52061	4.0
79.05506	16.5
81.07067	74.3
83.08617	8.5
88.84217	3.6
91.05445	9.5
93.07026	24.7
95.08602	85.6
97.06503	7.1
97.10155	5.0
102.45081	4.1
105.06991	9.1
107.08592	27.6
109.10148	37.0
119.08533	10.1
121.10166	37.3
123.11720	17.4
127.03880	31.6
131.08536	4.5
133.10123	21.0
133.63875	4.9
135.11691	22.2
139.03899	37.9
140.17059	4.6
147.11673	6.1
149.13260	7.7
153.01820	100.0
156.44621	4.7
177.05453	5.1
181.04839	5.8
215.17883	5.8
233.19035	6.9
251.20081	23.2
279.23117	17.0
297.24234	21.8
315.25165	6.0
359.21988	30.5
377.23212	71.0
417.28223	4.3
447.38251	4.7
475.79172	4.5
541.56177	5.2
565.44043	5.4
655.45380	10.2
673.47095	14.5
691.47015	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15576	4.1
61.59758	4.0
68.20645	4.6
69.03421	5.6
73.02909	8.8
79.05505	9.4
91.05472	10.2
93.07025	26.2
95.04939	6.5
105.07019	23.1
107.04930	6.6
109.06503	5.9
111.04438	4.4
119.08571	76.5
121.06527	36.6
121.10179	36.1
123.04402	7.0
129.44472	5.0
131.04927	4.6
133.06493	30.8
147.08037	100.0
148.08830	19.2
149.05969	49.1
149.09607	28.2
159.08047	22.1
161.05864	6.4
165.09091	16.7
167.07076	7.5
175.07504	5.5
175.11163	5.9
177.05476	25.7
177.09163	18.1
185.09630	4.8
201.65588	5.2
203.10780	6.8
225.12759	6.6
235.04628	4.1
251.14420	7.7
270.58307	5.1
271.13123	6.0
279.13882	5.6
280.77002	4.6
297.14771	6.8
325.14191	45.3
327.15753	7.5
343.15356	77.6
378.85107	5.4
385.16397	60.9
387.17966	7.4
403.17590	25.4
421.18604	32.3
466.89563	5.5
534.51154	5.0
692.39484	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	693.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
85.83531	1.1
93.41912	1.3
95.04961	9.8
105.03391	100.0
105.04504	3.9
105.07028	2.9
107.63205	1.3
110.72785	1.3
119.08595	1.6
133.06529	1.9
145.06346	1.9
145.10063	1.5
155.08559	2.5
157.10155	1.4
169.10114	2.6
179.08455	2.1
180.09380	2.3
181.10149	7.6
183.11694	5.6
185.09717	1.5
192.09360	5.4
193.10097	5.2
195.11714	9.8
197.09618	5.4
197.13327	1.8
199.11134	5.3
205.06673	1.6
205.10037	2.1
207.11662	10.3
209.09619	8.7
210.10402	1.8
211.11185	8.1
217.10115	2.4
220.08951	11.0
220.12349	1.4
223.11249	12.3
223.14798	2.0
225.12723	8.8
232.12360	2.8
233.09593	2.4
235.11142	13.8
237.16405	2.7
247.14830	6.0
250.13466	1.7
251.10625	2.2
253.12231	8.1
255.09752	1.4
260.11954	14.3
265.15802	9.0
275.14270	8.7
283.16980	2.7
293.15323	15.2
311.16406	14.2
313.14322	2.3
375.15979	2.3
428.46411	1.3
433.20126	1.6
573.99323	1.5
723.33673	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	693.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79143	1.1
53.03951	2.2
57.35455	1.2
60.10885	1.5
65.28268	1.3
79.05492	2.4
93.07057	3.1
93.51580	1.5
95.04948	8.8
105.03390	100.0
105.04487	4.5
105.07031	2.4
109.06482	2.1
119.08554	3.5
119.40692	1.4
131.08546	1.9
133.06520	2.7
133.10114	2.6
143.08597	3.7
145.06488	2.6
145.10101	9.5
147.08003	1.6
155.08623	3.1
156.09337	2.2
157.10135	2.4
159.07968	2.1
161.09677	6.4
165.07042	2.6
167.08533	1.7
169.10135	6.0
171.11731	2.1
173.09615	2.7
179.08585	1.9
180.09303	2.5
181.10094	11.8
182.10939	2.5
183.11665	7.4
185.09612	3.4
191.08623	1.6
192.09343	8.1
193.10170	5.5
195.08047	2.3
195.11703	12.5
197.09604	3.8
197.13280	8.4
199.11230	6.3
206.10939	2.1
207.11703	13.6
209.09596	10.0
209.13341	6.3
210.10435	7.3
211.11166	8.5
220.08786	2.5
221.13228	3.1
223.11226	3.7
223.14825	2.4
225.12813	11.5
227.10686	2.6
235.11177	6.6
237.12752	1.8
237.16490	2.9
247.14789	6.5
251.10580	2.0
253.12175	35.3
260.12003	3.4
265.15857	9.3
267.13525	2.0
271.13354	8.4
275.14285	2.9
283.16977	5.7
293.15366	14.7
311.16446	21.7
313.14389	2.9
329.17334	3.3
371.18414	3.8
375.15842	6.0
415.18823	1.8
477.30164	1.8
497.03748	1.7
605.90125	1.9
628.87567	1.6
661.90570	1.6
693.28503	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	693.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24401	0.3
66.44129	0.3
81.07037	0.4
105.82600	0.4
153.57292	0.4
165.05595	0.4
185.87245	0.3
216.94337	0.4
271.05991	100.0
484.28000	0.4
693.32593	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	693.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34436	7.8
67.05504	31.7
79.05492	46.0
81.07047	37.9
91.05495	17.5
93.07050	58.7
95.08596	37.1
105.37044	7.6
107.08591	19.6
119.08648	17.0
121.10126	31.1
127.03881	9.3
135.11736	12.7
147.11685	15.9
153.47946	8.0
171.11729	11.2
184.07332	11.3
214.31924	8.7
254.54201	8.1
281.17371	12.7
307.22958	8.6
316.26617	8.1
513.35724	100.0
528.13751	8.8
693.44421	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	693.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01290	2.3
54.32757	2.5
55.05514	6.4
58.31795	3.1
67.05514	36.1
69.07059	18.0
71.04999	2.8
79.05492	15.2
81.07052	48.4
83.08606	18.8
93.07040	22.7
95.08609	37.7
95.48116	2.9
97.10151	14.6
105.07012	6.6
107.08591	13.8
109.10166	18.9
111.11703	4.8
119.08574	5.1
121.10130	14.3
123.11712	5.2
127.02474	3.5
127.03918	100.0
133.10144	5.9
135.11685	13.2
139.03911	28.7
147.11751	5.2
153.01826	56.8
156.79974	2.9
161.13222	4.3
165.05495	3.9
167.79213	2.8
181.04974	3.3
214.97823	3.0
235.20641	3.3
261.22223	3.2
279.23196	13.5
297.24319	22.2
322.69312	3.0
361.23792	11.1
379.24765	32.8
423.27478	7.1
513.35614	18.4
567.45837	4.9
675.48480	5.7
693.49347	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	694.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61104	2.4
59.39506	2.8
66.77227	2.9
73.02898	4.6
76.54354	3.0
77.49137	2.8
79.05495	3.3
85.02914	3.4
93.07034	13.0
99.35250	3.3
105.07025	24.6
107.08586	7.0
109.06481	3.8
118.25984	2.9
119.08560	4.5
121.06520	6.1
121.10131	60.5
123.08063	4.3
133.06471	13.1
133.10089	4.2
137.05939	3.6
141.53416	2.7
147.08063	5.2
149.05972	4.9
149.09615	100.0
151.07558	5.3
159.08051	5.4
177.09068	13.2
195.41792	2.9
211.11108	5.9
213.09219	3.2
213.12694	4.8
226.52550	3.4
227.14525	3.3
239.14122	3.7
248.11867	3.4
253.15900	5.3
255.13792	5.4
267.14075	3.9
269.15427	3.6
281.15375	12.6
285.82013	3.3
299.16675	6.0
309.14816	7.6
327.15936	23.5
341.17285	6.1
345.17007	20.0
363.18420	3.8
367.32306	3.3
369.16843	4.5
387.17926	32.4
405.18997	79.8
423.20047	44.7
555.24298	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	694.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98796	2.1
56.05036	3.4
63.06706	2.3
71.96809	2.5
74.06080	46.0
91.05468	17.7
91.25916	2.4
93.07040	3.3
105.07006	4.5
119.04950	18.3
119.08607	3.0
121.06511	3.2
130.78094	2.5
131.08603	2.8
132.08116	20.8
136.26886	2.9
145.10167	3.2
147.04410	16.0
150.09103	19.4
169.10252	3.8
171.11649	3.1
178.08640	9.3
189.05421	3.0
192.10172	22.1
199.11081	3.0
207.11751	4.7
219.11699	3.1
220.09666	100.0
221.13509	2.9
235.14928	3.1
262.10828	3.9
277.15842	3.8
280.11804	15.0
294.08386	2.5
295.16959	15.2
664.29932	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	694.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82451	0.9
56.05025	3.9
57.22745	0.8
74.06073	24.8
79.05482	1.6
85.78079	1.2
91.05484	11.3
92.54742	1.2
105.07007	1.5
107.04950	7.6
107.05928	1.1
107.06633	1.1
108.05247	1.0
119.04926	10.5
119.08557	2.2
122.64990	1.2
131.08553	1.4
132.08084	38.2
134.09654	4.2
145.10101	1.2
147.04433	1.6
150.09117	26.4
159.08162	1.1
159.11653	1.5
160.78316	1.2
171.11697	1.7
178.08635	27.8
181.10176	1.6
183.11717	1.8
187.11194	2.5
192.10211	29.6
193.10139	1.8
194.11885	1.6
195.11717	1.3
207.11647	2.2
211.11200	1.5
217.10129	1.2
219.11684	1.5
220.09682	100.0
221.13152	1.4
223.79631	1.0
232.12372	1.5
235.14859	1.4
238.10773	5.4
247.14886	1.3
249.16286	2.3
262.10663	1.6
262.13293	1.3
277.15839	12.5
280.11795	1.9
295.16891	9.4
337.17828	2.0
355.18890	1.9
393.32217	1.0
634.31732	1.7
662.48767	1.3
694.30383	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	694.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05050	1.8
57.65515	1.4
74.06085	14.3
79.05483	6.5
81.07047	2.3
88.81118	1.6
91.05461	10.4
93.07032	3.2
95.08633	2.6
105.07024	11.1
107.04954	89.8
107.08600	2.2
117.07019	2.9
119.04939	10.1
119.08584	12.7
127.67262	1.7
131.04904	2.0
131.08528	3.8
132.08089	35.9
133.10085	8.5
134.09669	17.2
135.08063	1.8
143.08537	9.3
145.10129	12.7
147.04422	1.8
147.08022	2.0
149.06017	15.3
150.09123	29.3
156.09332	1.7
157.10103	10.9
159.11656	3.3
161.09673	3.0
167.08501	1.9
169.10144	8.6
171.11684	7.3
178.08618	21.7
179.08572	2.9
181.10089	7.4
183.11728	3.3
187.11166	1.8
192.10211	36.1
193.10185	8.3
194.11797	52.0
195.11679	3.9
197.13171	2.9
206.10939	2.5
207.11728	7.4
209.13293	6.6
211.11124	1.9
218.11069	2.6
219.11652	3.6
220.09694	100.0
220.12108	3.4
221.13248	9.0
231.11662	2.7
232.12508	2.4
233.13335	2.3
235.14835	3.0
246.14006	3.5
248.15640	2.8
249.16345	1.9
251.17969	6.5
261.16434	7.3
262.10794	3.3
263.17859	3.8
267.17505	2.1
277.15833	3.9
279.17371	3.7
281.19095	2.6
295.16885	17.4
337.17990	2.7
355.19147	3.0
444.83261	1.8
514.29358	2.9
536.22247	2.0
543.27698	1.7
634.33606	97.1
694.34955	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	694.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81214	0.5
54.94554	0.5
58.15575	0.5
69.07041	0.7
72.04507	4.0
77.47507	0.6
79.05489	10.2
80.16635	0.5
81.07049	1.2
88.07623	8.5
91.05477	3.3
93.07045	3.9
95.04970	0.7
95.08605	2.9
99.65578	0.6
103.05462	1.0
104.00690	0.7
105.03365	0.7
105.07024	7.7
107.04951	100.0
107.08607	4.8
109.06509	2.2
109.10143	1.0
114.42458	0.5
117.07060	1.2
119.08558	7.7
121.06474	1.2
121.10112	1.3
129.07037	1.0
131.04927	3.6
131.08575	7.0
133.06483	1.2
133.10120	8.3
134.09647	75.0
141.07062	0.6
142.07703	0.8
143.08554	5.1
145.10135	5.4
147.08049	2.6
147.11722	0.6
149.05978	18.7
155.08543	3.4
157.10127	4.7
159.08049	5.2
159.11697	2.3
161.09613	2.6
167.08553	3.4
169.10071	5.6
171.07991	1.0
171.11697	3.1
173.09598	1.1
179.08560	2.1
181.10092	6.3
182.63304	0.6
183.08127	1.1
183.11728	3.5
185.09619	2.7
185.13287	2.4
192.10176	2.8
193.10127	4.4
194.11772	94.2
195.11676	9.2
197.09602	1.0
197.13254	1.5
199.11218	0.7
201.12575	0.6
203.08537	0.7
204.09354	2.6
205.10136	4.2
206.10927	5.5
207.11697	9.3
208.12532	1.3
209.09637	1.0
209.13228	8.4
211.14835	1.0
217.10181	4.6
218.10901	1.3
219.11638	9.2
220.12488	5.9
221.13245	9.4
222.10387	0.8
222.14000	1.4
223.11189	2.7
223.14784	1.2
225.12816	1.4
231.11694	15.8
232.12465	4.8
233.13272	3.8
234.14052	1.0
235.14735	4.7
236.12753	3.7
236.15567	1.0
237.12788	4.0
237.16383	3.1
239.14232	0.7
245.13289	3.3
246.14014	20.9
248.15503	1.2
249.16428	2.5
250.13412	0.8
251.17906	7.1
261.16354	29.6
263.17969	6.7
264.15076	0.8
279.17371	15.2
281.19147	2.3
297.18491	4.6
321.18472	5.2
323.19946	1.0
339.19485	4.6
381.20816	2.7
399.21198	0.8
445.42020	0.6
514.29858	1.2
592.32745	3.4
634.33911	3.6
652.34827	5.1
694.35797	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.9
57.49859	2.3
60.20401	2.2
62.54781	2.4
65.54608	2.3
69.07070	10.8
70.54465	2.6
79.05499	4.3
83.08599	10.2
91.05476	5.9
93.07040	19.3
95.08586	3.3
97.06532	11.7
103.05453	14.7
105.07030	13.6
105.08489	2.7
107.08578	11.4
109.06519	12.6
109.10149	11.7
119.08572	64.3
121.10140	4.9
125.09660	6.2
128.06317	3.4
129.06996	12.1
130.28450	2.6
131.04916	52.5
131.08551	25.3
133.06482	3.6
133.10129	14.1
137.09624	3.6
142.07803	3.2
143.08571	32.2
145.10110	31.3
147.11649	4.7
155.08545	16.5
157.10152	41.4
159.08055	3.3
159.11720	9.7
161.09570	4.6
167.08548	4.4
168.09401	2.9
169.10095	28.2
171.11740	22.3
173.09598	5.3
173.13168	9.1
175.11284	3.7
181.10100	10.2
183.11702	55.2
185.13220	41.7
187.14760	3.6
193.10109	6.4
194.10956	5.0
195.11742	10.9
197.09631	4.0
197.13263	17.3
201.12840	2.8
206.10921	3.6
207.11697	11.8
209.13188	10.5
211.11192	6.3
211.14810	6.4
221.13284	18.3
223.14696	4.9
225.12779	6.4
227.14371	3.1
233.13240	4.7
237.16383	14.8
239.14438	3.4
239.18134	3.8
248.15575	5.9
253.19525	11.5
263.17950	31.4
281.18991	100.0
299.20035	32.9
323.20044	4.5
341.21146	49.1
401.23264	54.7
443.24353	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	694.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89431	1.1
53.20598	1.3
58.06395	1.0
58.06604	16.1
63.97240	1.2
71.24814	1.2
79.05502	10.9
81.07032	1.8
91.05471	2.7
93.07050	2.8
93.73077	1.6
95.08628	2.2
105.07018	6.4
107.04953	100.0
109.10177	1.4
109.97469	1.4
119.08562	8.5
121.10118	1.7
131.04916	1.4
131.08582	2.4
133.10110	2.7
134.09641	14.6
143.08533	6.1
145.10101	8.3
149.05995	18.2
157.10120	7.6
159.08076	1.6
159.11658	5.2
161.09564	1.9
169.10138	5.8
171.11626	5.1
181.10071	3.1
183.11679	2.3
192.10217	13.3
194.11763	60.2
195.11676	3.2
199.11310	2.1
206.10867	3.0
207.11661	3.4
209.13229	2.8
218.10800	2.3
219.11681	2.8
220.09688	2.6
220.12459	2.1
221.13216	7.0
231.11607	5.7
233.13271	3.2
246.13939	9.6
251.17899	8.5
261.16467	9.4
263.17938	7.3
279.17416	2.8
281.19040	5.7
330.99734	1.4
339.19748	1.7
375.81931	1.5
514.29260	5.8
611.53821	1.4
634.33728	94.6
642.14233	1.4
694.35742	16.7
709.54846	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63943	1.6
55.05496	3.3
57.03426	2.0
61.02930	18.2
62.09562	1.8
67.05505	38.4
69.07040	4.0
73.02915	3.8
74.22610	1.8
79.05497	14.5
81.07060	50.0
83.08619	2.8
85.02905	23.2
88.86677	1.8
91.03960	25.2
91.05479	9.9
93.07044	25.7
95.08606	44.7
97.02889	14.3
105.07003	9.7
107.08595	34.5
109.10151	25.2
117.06994	3.3
119.08566	11.2
120.02971	1.9
121.10148	33.6
123.11749	14.6
127.03910	2.7
128.96227	2.1
131.08571	15.3
133.10124	12.8
135.11702	24.0
137.13289	2.8
145.04935	9.9
145.10098	13.2
147.11685	11.6
149.13248	24.2
159.11707	11.0
161.13252	9.1
163.06012	11.8
163.14809	12.2
173.13289	12.5
177.16451	3.9
187.14793	8.3
201.16425	2.4
243.21039	21.3
245.76630	2.3
261.22101	70.4
261.24896	2.8
335.25757	13.5
353.26852	100.0
485.19385	2.6
567.84186	2.3
707.16553	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71696	2.3
55.05506	3.4
57.03449	1.9
57.07077	3.4
61.02929	17.8
67.05508	45.4
68.03596	1.7
69.07063	8.2
70.06593	2.3
73.02917	3.9
79.05495	19.2
81.07063	55.4
83.04964	2.4
83.08601	3.6
85.02898	24.6
91.03954	22.6
91.05466	9.1
92.17858	2.5
93.07046	28.8
95.08609	46.2
97.02878	4.6
105.07040	10.7
107.08589	29.4
109.10151	30.2
116.07081	2.4
117.07030	3.3
119.08577	13.1
121.10143	30.5
123.11691	14.4
127.03899	9.9
129.47560	2.0
131.08551	15.1
133.10104	14.2
135.11696	35.0
137.09627	2.2
137.13225	3.1
145.04967	10.9
145.10126	17.3
147.11700	14.7
149.13237	21.4
159.11642	14.9
161.13278	13.1
163.05988	9.5
163.14827	11.0
173.13202	18.1
175.14842	2.9
177.16417	3.2
187.14783	8.1
241.83012	2.2
243.21039	20.9
261.22107	68.9
261.24872	2.3
279.23129	2.4
317.68869	2.4
335.25687	29.5
353.26843	100.0
497.31125	13.8
659.35828	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	696.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	5.1
58.02950	1.1
63.03626	0.5
69.07078	1.5
79.05486	2.5
81.07056	1.2
83.08590	0.6
91.05497	1.4
92.18488	1.3
103.05441	0.9
105.07030	41.1
107.04952	7.4
107.08608	4.9
109.06516	0.6
109.10173	0.7
117.07054	0.8
117.93497	0.7
119.08584	3.5
120.08098	100.0
121.10142	4.2
131.04916	5.8
131.08516	4.3
133.06485	1.0
133.10112	3.0
134.09671	1.4
135.08060	5.1
137.09598	0.8
143.08542	2.6
145.10089	2.9
147.08026	1.1
147.11717	0.6
149.09631	0.7
155.08542	1.1
157.10129	3.0
159.11681	1.5
162.09131	27.1
169.10017	0.9
171.11736	1.0
177.09091	0.8
180.10199	8.5
181.10173	0.7
183.11671	7.2
192.09314	0.6
193.10176	2.8
195.11682	1.2
197.13231	1.4
199.11227	0.8
204.10254	1.1
207.11711	3.9
209.13190	1.0
211.14789	1.3
221.13289	2.8
225.16359	0.9
239.17882	3.4
239.99506	0.7
249.16383	7.8
251.17865	1.0
265.10812	1.0
267.17416	14.8
277.16098	0.7
285.18585	3.5
295.17007	2.9
326.21014	1.2
327.19644	0.9
345.20776	1.2
355.18805	2.4
386.23361	0.7
415.21161	0.7
446.25424	2.4
539.31415	0.7
565.36707	0.7
636.32214	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	696.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40708	0.6
56.05029	4.5
69.07082	0.8
72.07784	0.6
79.05483	3.9
79.70141	0.6
91.05471	1.5
93.07040	2.5
95.08615	0.8
103.05484	1.5
103.72914	0.6
105.07030	42.6
107.04951	7.9
107.08584	4.4
113.11140	0.7
117.07024	0.9
119.08552	4.7
120.08101	100.0
121.10127	3.4
131.04929	4.8
131.08566	4.7
133.10143	2.6
134.09644	4.2
135.08041	8.1
143.08611	1.3
145.10132	1.4
149.05998	1.4
149.09654	1.0
155.08479	0.7
157.10118	2.7
159.11708	1.4
162.09128	27.6
162.10492	0.9
169.10085	1.3
171.11723	2.7
173.33858	0.6
174.28435	0.7
177.09093	1.5
180.10197	7.6
181.08583	0.7
181.10132	0.8
181.70685	0.6
183.11699	8.0
193.10233	1.0
194.11873	1.1
195.11720	2.6
197.13240	0.9
204.10159	1.1
207.11725	3.7
209.13228	1.6
210.90532	0.9
211.11172	1.0
211.14848	1.1
221.13234	1.5
239.18008	2.4
249.16336	8.2
251.17937	1.3
265.10583	0.7
267.17389	11.8
269.19177	0.8
285.18478	2.8
295.17032	3.4
326.21082	0.8
355.19122	2.5
386.23062	2.3
415.92673	0.8
446.25479	2.8
503.12848	0.7
636.31323	7.4
678.25616	0.7
696.34149	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	696.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13900	0.9
56.05033	4.2
56.85367	0.8
58.02968	1.4
60.19567	0.7
69.07047	0.9
79.05503	1.7
81.07036	1.4
83.08682	0.9
91.05483	1.4
93.07034	1.8
95.08585	1.0
102.89995	0.9
103.05470	1.1
105.07027	41.5
107.04942	6.3
107.08573	3.9
117.06962	1.0
119.08562	3.9
120.08098	100.0
120.65692	0.9
121.10142	4.1
124.73175	0.9
131.04932	7.4
131.08557	5.6
133.10118	3.4
134.09628	1.8
135.08064	7.0
143.08519	1.8
143.46346	0.9
145.10141	1.4
149.06010	1.7
157.10115	1.9
159.11673	1.5
162.09116	24.8
177.09042	1.7
180.10243	8.5
181.08672	1.0
183.11696	6.6
192.09410	1.2
199.11215	0.9
207.11705	4.1
211.14719	1.2
221.13239	3.9
234.13945	0.9
239.18053	3.3
249.16385	6.3
251.17969	1.7
267.17380	14.4
269.19064	1.0
285.18384	1.6
295.16962	1.9
304.41544	0.8
309.18256	1.1
326.21127	2.1
382.58426	0.9
386.23080	1.3
446.25232	4.6
636.30975	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	696.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	5.1
58.02950	1.1
63.03626	0.5
69.07078	1.5
79.05486	2.5
81.07056	1.2
83.08590	0.6
91.05497	1.4
92.18488	1.3
103.05441	0.9
105.07030	41.1
107.04952	7.4
107.08608	4.9
109.06516	0.6
109.10173	0.7
117.07054	0.8
117.93497	0.7
119.08584	3.5
120.08098	100.0
121.10142	4.2
131.04916	5.8
131.08516	4.3
133.06485	1.0
133.10112	3.0
134.09671	1.4
135.08060	5.1
137.09598	0.8
143.08542	2.6
145.10089	2.9
147.08026	1.1
147.11717	0.6
149.09631	0.7
155.08542	1.1
157.10129	3.0
159.11681	1.5
162.09131	27.1
169.10017	0.9
171.11736	1.0
177.09091	0.8
180.10199	8.5
181.10173	0.7
183.11671	7.2
192.09314	0.6
193.10176	2.8
195.11682	1.2
197.13231	1.4
199.11227	0.8
204.10254	1.1
207.11711	3.9
209.13190	1.0
211.14789	1.3
221.13289	2.8
225.16359	0.9
239.17882	3.4
239.99506	0.7
249.16383	7.8
251.17865	1.0
265.10812	1.0
267.17416	14.8
277.16098	0.7
285.18585	3.5
295.17007	2.9
326.21014	1.2
327.19644	0.9
345.20776	1.2
355.18805	2.4
386.23361	0.7
415.21161	0.7
446.25424	2.4
539.31415	0.7
565.36707	0.7
636.32214	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	696.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88535	2.2
56.22156	2.2
57.07093	24.5
58.06596	12.2
59.06131	33.3
59.85350	2.6
60.04512	12.0
60.08158	15.3
67.20181	2.2
81.40614	3.5
83.04995	19.1
84.40385	3.0
91.05481	2.7
93.41844	2.4
106.35285	2.9
117.55667	2.7
147.11702	30.7
158.29338	3.0
210.32103	2.9
239.04631	12.5
266.64539	2.9
319.82233	3.3
337.02316	86.5
358.03558	2.7
393.08691	31.3
469.11612	17.0
525.17908	31.4
581.24347	18.1
604.78015	3.3
625.44733	3.2
637.20575	4.2
637.30573	100.0
637.40845	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	696.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
58.49214	1.0
67.05508	1.1
68.51386	0.9
69.34775	1.0
69.77759	1.0
74.30123	0.9
79.05492	6.7
91.05486	1.3
91.89169	1.1
93.07031	1.4
95.04954	5.7
95.08573	1.4
105.76950	1.1
107.04951	96.1
108.05287	1.4
119.08588	2.5
121.10131	1.9
131.08554	2.8
134.09676	2.3
145.10138	1.8
149.05963	22.2
157.10149	2.2
167.08549	2.3
179.08748	1.8
181.10181	2.6
194.11765	100.0
195.11833	2.7
197.13283	1.5
205.10304	1.3
209.13338	1.8
210.98488	1.3
215.08730	1.8
217.10205	1.4
231.11755	1.5
236.12848	5.5
237.12778	2.1
243.11874	6.9
246.14032	2.2
251.17857	2.4
253.10428	1.9
265.10245	1.5
267.11728	2.2
279.17401	4.4
280.12820	1.4
281.13486	1.8
297.18512	2.1
303.14035	1.9
313.19852	1.5
322.61163	1.3
323.18124	19.0
341.19150	22.1
383.20349	14.8
696.35602	24.1
714.89050	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	696.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59455	0.7
51.73753	0.8
79.05495	9.4
93.07054	1.0
95.04971	4.2
95.08598	1.5
105.07004	2.0
105.99571	0.9
107.04956	88.7
107.08599	1.3
119.08647	1.1
131.08537	1.4
134.09686	1.8
139.05640	1.3
139.45271	0.9
143.08582	1.6
145.10101	1.7
149.05969	19.9
155.08569	1.1
156.09244	0.9
157.10150	1.6
165.07266	1.2
167.08620	1.5
169.10106	1.1
171.11681	1.3
173.09752	1.1
177.07185	1.1
181.10176	1.6
191.08755	1.1
194.11774	100.0
195.11864	4.7
197.13301	1.4
199.11261	1.6
209.09958	1.0
209.13345	1.7
211.11333	1.0
211.14799	1.0
217.10291	1.7
219.11777	1.2
220.12621	1.0
228.09596	1.4
229.10178	1.0
236.12772	4.6
236.15417	1.0
237.12811	1.4
241.10280	1.2
243.11873	4.5
251.18036	2.2
253.10347	1.6
257.13547	1.1
261.16333	1.8
267.11658	1.4
267.55432	0.9
279.17487	4.7
293.13589	1.2
297.18475	2.0
303.14227	1.4
313.19843	1.8
323.18182	18.8
341.19214	21.3
383.20337	10.1
443.22537	1.0
457.72021	0.9
474.83789	1.0
475.60025	1.2
503.24777	1.7
696.35553	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	696.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
61.52842	1.0
63.03913	1.0
66.14439	1.1
67.29433	1.1
79.05490	6.9
95.04971	2.7
101.04153	1.2
105.06984	2.3
107.04952	89.9
109.10177	1.2
111.10229	1.3
114.27258	1.4
119.08630	1.5
134.09637	2.9
139.05611	1.9
147.08156	1.4
149.06004	15.6
159.11797	1.4
171.11676	1.7
177.07204	1.9
179.08458	1.5
181.10121	3.0
181.58238	1.2
181.76331	1.2
193.10046	1.7
194.11768	100.0
195.11842	2.5
199.11153	1.3
209.13187	1.4
210.11192	1.5
215.08804	1.5
215.14374	1.2
219.11725	2.3
228.09467	2.3
236.12906	5.4
243.11917	6.2
251.17946	6.1
253.10532	1.4
261.16330	2.2
267.11838	2.1
281.13483	2.8
297.18497	2.0
300.81052	1.4
323.18054	18.2
341.19260	22.3
346.78378	1.3
371.49603	1.4
383.20380	12.3
413.53442	1.4
502.40799	1.4
503.24545	2.2
696.35565	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	696.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	6.9
81.07023	1.1
83.77604	0.9
91.05483	1.4
93.07053	1.3
95.04958	1.3
97.06548	1.0
105.07039	10.5
107.04953	71.3
107.08606	1.5
111.27956	1.1
119.08573	2.4
120.08102	19.9
121.10123	1.6
123.11734	1.2
131.04906	2.1
131.08524	1.9
133.10138	1.4
134.09734	3.2
135.08026	1.6
143.08551	1.6
145.10101	1.6
147.08035	1.4
149.05977	17.9
155.03870	0.9
157.10115	4.2
159.11665	1.7
159.15318	1.0
162.09129	5.6
169.09990	1.7
171.09750	0.9
171.11684	1.5
179.08586	1.1
180.10239	1.9
181.10115	2.2
183.11745	2.5
192.09285	1.5
193.10130	2.3
194.11769	100.0
195.11748	1.7
197.13225	1.5
206.11009	1.3
207.11674	4.6
209.13248	1.7
211.11121	1.5
211.14902	1.7
219.11537	1.2
221.13274	5.6
230.13780	1.3
236.12837	6.3
237.16484	1.1
239.17874	1.7
248.15514	1.2
253.19536	1.9
263.17813	7.8
276.40396	1.0
281.19000	6.1
295.16919	1.3
323.20056	4.0
341.21130	1.9
383.22147	1.7
388.20288	1.4
455.93372	1.2
466.04123	1.3
530.57300	1.1
696.36908	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	696.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81796	1.5
71.23101	1.4
72.04507	6.8
76.71813	1.8
79.05493	10.6
88.07653	12.7
91.05443	3.1
93.07044	2.7
105.07008	10.7
107.04958	100.0
107.05692	3.6
107.08583	3.2
109.10134	3.8
119.08573	11.1
121.10191	2.1
131.08577	2.0
133.10130	8.4
134.09644	82.7
143.08546	8.4
145.10101	2.7
147.11697	1.8
149.05983	19.7
155.08531	2.8
157.10172	5.5
159.11710	3.0
169.10136	4.2
171.11700	3.8
183.11664	8.5
192.10298	2.8
193.10065	2.7
194.11755	76.8
195.11569	2.2
197.13181	2.1
206.10869	2.2
207.11684	3.5
209.13237	2.7
211.14799	2.5
221.13199	9.1
233.13153	3.6
248.15695	7.4
253.19310	2.4
263.17905	15.9
281.19049	10.5
323.20013	2.5
340.12469	2.1
341.20926	3.4
516.31030	16.8
534.32159	2.8
554.57147	1.6
576.33386	2.4
594.33820	18.4
636.35303	43.9
696.37238	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	696.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
64.47145	1.4
66.03867	1.6
67.05502	2.2
67.95773	1.5
68.56035	1.6
72.04516	6.1
73.40676	1.4
79.05499	14.4
81.07069	1.8
88.07619	12.1
91.05476	3.7
92.18435	3.7
93.07027	7.1
105.07013	11.6
107.04954	100.0
107.05688	3.6
107.08571	3.4
115.97262	1.7
119.08609	8.4
131.08600	2.2
133.10106	11.2
134.09656	94.5
143.08525	7.7
145.10085	7.1
149.05971	20.0
155.08553	2.8
157.10088	7.9
166.83606	1.7
169.10106	6.9
171.11755	3.1
172.82419	1.9
179.08580	1.8
181.10106	3.0
183.11714	2.7
185.13278	1.9
192.10031	2.4
193.10120	6.9
194.11769	86.8
195.11693	2.8
197.13242	6.9
206.10852	2.7
207.11674	4.0
209.13171	2.4
211.14674	2.8
220.12402	1.8
221.13297	6.8
233.13242	2.6
235.14906	2.0
239.17899	2.8
248.15552	2.9
253.19383	2.6
263.17877	14.6
272.85110	1.6
281.19016	11.7
299.20135	2.2
403.00537	1.7
516.31268	13.6
534.32098	1.9
576.32971	2.1
594.34772	17.2
636.35339	28.7
687.80023	1.8
696.37378	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04512	0.7
75.38130	0.6
79.05506	5.7
84.79012	0.6
95.08630	0.6
96.01694	0.6
105.07055	0.9
107.04952	73.6
119.08569	1.0
134.09636	15.9
143.08524	0.9
145.10152	1.1
149.05971	14.6
149.09630	0.8
169.10152	0.8
171.11670	0.8
183.28305	0.6
193.10136	0.7
194.11758	100.0
195.11589	0.8
204.07397	0.6
206.10921	0.7
221.13358	0.9
236.12813	4.2
239.14360	0.8
263.17963	1.3
265.19321	0.8
281.18951	2.8
303.03049	0.6
375.32355	0.7
500.13058	0.6
528.59052	0.8
636.35522	2.9
696.37390	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	696.3743
Annotation	2'beta-Deacetoxyaustrospicatine
Peak:m/z	Relative Intensity
51.95420	1.5
52.49962	1.5
68.73682	1.5
72.04506	3.4
79.05481	11.4
88.07616	9.7
89.78825	1.6
91.05476	3.0
93.07027	7.5
95.04984	1.9
105.07027	9.8
107.04954	100.0
107.08614	2.9
109.10120	2.8
119.08572	8.0
121.10151	6.1
131.08553	2.1
133.10112	9.8
134.09653	89.6
143.08562	4.3
145.10117	3.3
147.11667	3.0
149.05914	17.1
155.08533	4.1
157.10095	8.3
159.07925	1.6
159.11714	3.1
165.75255	2.1
169.10202	3.7
171.11685	7.4
173.13373	1.8
181.10043	2.9
183.11710	3.7
187.11151	1.9
192.10257	1.8
193.09967	2.6
194.11768	91.0
195.11673	3.9
197.13248	3.1
201.12920	2.1
207.11638	3.9
209.13435	2.0
220.12494	2.1
221.13275	12.3
233.13261	3.1
237.16353	2.4
239.17865	2.5
248.15610	2.8
253.19508	2.5
263.17966	14.5
265.19516	2.4
281.18967	7.6
299.20032	2.0
341.21100	4.1
345.74899	1.8
472.33426	2.0
516.31378	15.0
534.32147	2.0
594.34186	24.9
636.35223	36.3
696.37585	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13959	8.4
57.07071	10.4
58.33744	10.5
63.46078	8.0
69.07065	9.6
79.81564	8.1
83.08617	21.6
91.05503	10.0
92.18218	16.6
93.07063	39.9
107.04947	13.9
107.08607	14.3
119.08566	87.1
121.10142	11.7
131.04887	85.2
131.08559	16.5
133.10141	16.2
134.09650	37.2
143.08563	65.4
145.10130	42.7
157.10167	48.2
169.10129	38.0
171.11732	21.5
173.09735	9.8
173.13275	13.0
183.11684	57.5
185.13245	48.0
193.10120	16.7
194.11716	17.7
197.13275	11.4
207.11673	18.2
209.13318	11.4
221.13367	13.0
223.14670	10.6
263.17902	71.8
281.18973	100.0
299.20053	51.7
323.20126	10.7
341.21155	74.4
401.23135	76.6
437.51117	11.5
678.95886	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	696.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06699	1.6
54.88965	1.9
61.42133	1.8
72.04510	4.0
74.13018	1.5
79.05494	10.0
88.02107	1.6
88.07626	10.9
91.05486	2.8
93.07018	3.6
95.08617	1.7
105.07024	7.3
107.04951	100.0
107.08603	3.4
109.10166	2.1
119.08598	14.1
121.10159	4.0
123.83123	1.8
130.31599	1.7
131.08539	4.2
133.10129	11.6
134.09657	87.1
143.08557	8.0
145.10100	3.8
147.11722	1.7
149.05968	18.9
157.10121	11.3
159.11684	3.7
169.10138	6.4
171.11700	3.2
181.10165	2.4
183.11739	4.0
185.13393	1.9
192.10239	1.9
193.10094	3.0
194.11769	84.3
195.11659	3.6
196.15054	1.8
197.13139	2.2
206.10945	3.1
207.11723	7.6
209.13234	2.2
221.13269	8.9
223.14784	3.0
233.13199	2.8
248.15558	3.0
263.17889	14.0
281.18973	9.4
299.20081	2.5
323.20145	2.4
443.90582	1.8
458.82843	1.9
516.30988	16.6
594.34277	24.8
636.25818	3.0
636.35333	50.7
696.37585	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	696.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75819	1.4
54.18155	1.4
67.05511	1.5
69.07031	2.1
72.04507	4.0
79.05479	10.0
86.01913	2.1
88.07631	9.9
91.05501	3.4
91.76574	1.7
93.07042	3.7
95.08620	1.6
103.05515	1.8
105.07003	12.2
106.35561	1.8
107.04948	100.0
107.08588	2.0
109.10144	3.6
119.08571	10.5
121.10127	2.3
128.78557	1.8
131.08545	3.1
133.10120	8.8
134.09641	94.9
135.11685	2.4
142.07739	2.5
143.08553	2.4
145.10141	3.2
149.05995	19.3
155.08554	6.5
157.10121	6.9
159.11661	2.9
161.09576	2.5
169.10153	3.0
171.11707	3.1
183.11734	3.4
193.10167	2.8
194.11757	84.1
195.11809	2.7
197.13240	3.5
207.11646	4.3
211.11215	2.2
220.12494	2.5
221.13277	3.7
233.13333	3.0
240.21529	2.0
248.15556	4.2
263.17856	12.4
281.18994	8.8
309.84451	1.9
341.20822	2.2
354.48926	1.8
516.30682	16.6
594.34314	23.8
636.35339	36.2
696.37073	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	696.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70932	1.4
67.05505	2.0
72.04512	3.6
79.05489	12.9
88.07621	9.2
91.05473	3.7
93.07043	3.8
95.08545	1.9
105.07005	8.7
107.04954	100.0
107.08589	6.7
109.10149	2.5
119.08572	11.1
121.10165	3.6
123.11676	1.6
133.10117	9.7
134.09660	80.6
143.08537	7.1
145.10112	5.9
147.11641	3.2
149.06003	19.5
155.08562	3.2
156.82278	1.5
157.10101	7.7
169.10135	2.4
171.11642	3.0
179.08434	2.5
181.10136	3.4
183.11716	6.1
193.10098	2.8
194.11766	66.9
195.11705	3.6
197.13199	6.0
201.12846	1.7
206.10783	2.0
207.11685	6.4
209.13290	6.7
211.14775	1.6
220.12387	1.6
221.13269	3.0
223.14836	2.9
225.12683	1.7
233.13295	2.6
234.13972	1.8
248.15559	3.7
249.20380	1.7
263.17944	12.5
281.19055	10.9
516.30920	10.5
534.32257	2.3
594.34247	18.4
636.35168	22.5
696.37097	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	696.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49343	1.4
72.04520	5.7
79.05498	8.4
88.07607	7.8
93.07039	2.9
95.08607	5.6
105.07042	9.5
107.04951	100.0
107.08578	3.1
107.97603	1.5
109.10148	2.5
113.64292	1.5
113.94290	1.7
119.08569	8.6
119.41692	1.6
121.10130	2.3
123.11681	1.8
131.04947	1.8
131.08571	2.8
133.10101	10.1
134.09648	85.3
134.93503	1.6
143.08575	9.5
144.58002	1.6
145.10112	2.2
147.11655	3.8
149.05997	15.6
155.08560	6.6
157.10100	6.8
159.11646	2.3
169.10080	6.8
171.11700	6.2
183.11673	8.8
193.10066	2.5
194.11774	90.5
195.11642	2.6
197.13264	6.8
206.10902	1.8
207.11707	7.6
208.12485	2.2
209.13234	3.0
221.13261	6.9
234.13991	2.9
235.14708	2.1
248.15573	2.4
263.17935	13.2
265.19629	1.9
281.18948	14.8
299.20020	2.7
315.89114	2.0
323.19980	2.4
341.20975	2.3
401.67526	1.7
516.30896	19.7
534.32117	2.9
576.33630	3.8
594.34296	27.7
636.35278	45.6
696.37585	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03067	1.2
68.28798	1.4
72.04516	6.1
73.21047	1.3
79.05473	10.9
79.58639	1.2
81.07015	1.6
87.82114	1.2
88.07631	11.2
89.03845	1.3
91.05479	3.2
93.07018	3.0
95.08585	2.5
105.07014	11.4
107.04953	100.0
107.08582	2.6
109.10136	2.5
119.08580	11.9
121.10090	2.3
128.06277	1.6
131.08543	2.4
133.10107	10.7
134.09645	96.0
142.07764	1.3
143.08568	5.7
145.10123	5.5
149.05980	17.5
155.08542	7.7
157.10147	7.5
159.11646	1.7
161.09589	2.5
169.10123	8.1
171.11627	5.2
181.10117	2.3
183.11685	8.3
185.13197	1.5
193.10155	1.8
194.11761	84.2
195.11655	2.7
197.13254	5.7
206.10783	2.4
207.11702	5.6
209.13257	2.6
211.14769	1.4
220.12520	2.0
221.13258	6.5
223.14635	2.2
227.14380	1.7
233.13289	2.6
237.16341	2.5
239.18077	1.9
248.15512	2.9
253.19487	2.2
263.17844	12.4
265.19537	1.6
281.19080	10.8
323.19977	1.9
341.21231	2.6
433.42776	1.4
469.84634	1.3
516.31018	15.5
594.34094	25.4
636.35266	44.8
696.37524	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62574	6.9
61.02950	12.6
65.45150	7.5
67.05505	49.9
69.07073	10.1
79.05505	17.3
81.07058	87.3
83.08617	13.1
85.02892	38.0
91.03949	12.5
93.07033	13.5
95.08604	100.0
97.02901	9.9
97.10191	9.8
107.04966	67.7
107.08598	10.4
109.10150	51.1
119.08627	10.5
121.10152	34.5
123.11738	18.1
127.03928	9.2
133.10078	18.1
134.09683	60.2
147.11758	12.5
149.05989	9.0
149.13246	9.4
161.13268	12.2
163.06056	8.8
163.14748	9.3
194.11801	58.3
245.22670	39.3
263.23676	84.4
306.52643	8.6
337.27487	30.7
355.28259	63.2
545.57971	8.6
565.60645	9.6
594.34882	15.4
636.35455	17.3
687.76215	10.8
696.37018	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
57.03423	5.4
57.07078	7.2
61.02932	28.9
67.05505	53.7
69.07069	27.5
72.04523	5.6
73.02917	4.6
79.05484	24.7
81.06639	6.0
81.07061	99.5
83.08628	34.4
85.02893	30.0
88.07610	5.7
91.03964	31.1
91.05478	8.1
92.56696	3.6
93.07018	23.9
95.08604	86.9
97.02879	13.2
97.06513	8.4
97.10154	18.9
105.07030	19.1
107.04951	100.0
107.08613	25.2
109.10149	55.8
113.09657	6.0
115.03834	3.8
119.08576	16.9
121.10163	28.1
123.11684	33.9
127.03882	5.9
131.08495	3.9
133.10114	30.9
134.09657	72.8
135.11720	16.7
137.13239	7.9
143.08492	6.6
145.04953	8.2
145.10213	4.5
147.11688	24.5
149.05949	18.9
149.13226	18.2
161.13242	17.0
163.06013	14.7
163.14835	15.2
169.09990	4.4
175.14859	14.3
183.11682	5.3
186.91344	3.8
194.11766	66.2
206.10951	3.6
207.11836	4.7
221.13145	4.7
245.22658	47.5
248.15810	5.9
263.18011	5.4
263.23685	93.6
281.18799	6.1
296.24673	3.7
314.14664	3.8
337.27246	70.4
355.28268	54.6
499.32791	15.8
510.87308	3.8
516.30933	20.5
528.90570	3.7
594.34222	20.4
601.65021	4.4
636.35089	24.7
696.37231	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05527	0.8
55.92328	0.5
57.03439	1.2
66.08153	0.7
69.03432	5.0
71.04992	15.9
75.04485	2.4
81.03418	100.0
83.04975	0.7
85.02904	10.9
85.06543	5.0
87.04445	1.1
91.05459	3.2
95.04943	3.1
97.02851	1.1
99.00819	10.6
99.04447	16.9
107.04967	1.2
109.02876	87.3
110.95430	0.6
113.05259	0.9
113.05999	19.4
114.72673	0.7
115.03915	1.0
117.01834	4.0
119.04932	13.1
127.03905	20.3
141.05457	16.1
145.04950	0.8
147.04398	54.3
159.06549	1.1
212.08385	0.7
213.09106	14.5
237.09126	1.3
243.04964	1.4
257.06531	0.7
265.08545	1.4
275.07587	42.2
293.08234	1.1
323.11002	0.9
341.12286	2.5
358.27957	0.7
433.13593	1.3
451.08255	1.3
451.14453	39.0
469.15146	2.8
487.16016	6.8
564.07770	0.8
663.22784	14.1
665.70532	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	698.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06078	24.5
85.71886	2.2
87.64022	2.1
91.05468	11.0
92.82626	2.1
95.04988	2.5
98.57162	2.6
105.03391	41.9
105.07011	4.3
107.04955	13.2
117.07047	3.0
119.04941	16.9
129.06982	2.7
132.08080	5.1
143.08604	2.3
143.31020	2.3
147.04404	13.3
155.08559	4.9
157.10126	2.7
165.07040	5.4
167.08525	16.7
169.10094	8.8
178.07700	3.7
179.08505	31.9
180.09378	9.9
181.10095	13.7
187.30246	2.6
191.08589	8.2
192.08577	7.0
192.10223	5.3
193.10126	33.1
194.10895	37.0
194.80383	2.6
195.11694	14.4
203.08557	10.4
204.09348	33.8
207.11572	4.8
209.13258	71.6
219.11667	100.0
220.09679	60.9
221.16786	2.5
222.10463	5.1
227.14351	11.1
234.06082	3.0
237.12714	50.5
255.13753	12.2
262.10745	3.8
279.13763	3.9
280.11685	4.1
297.14825	3.9
340.13809	10.4
577.66034	2.3
698.35956	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	698.3173
Annotation	Rifamycin
Peak:m/z	Relative Intensity
53.93954	0.8
60.47882	0.9
73.98170	1.1
91.05481	91.7
103.05483	1.7
105.07021	1.9
107.04957	6.6
107.08562	1.9
111.24377	1.0
119.04944	22.2
119.08575	7.8
123.08083	2.1
125.06003	2.4
131.08586	1.6
133.06479	2.0
134.09654	29.6
135.08083	4.1
143.08601	2.2
147.04413	1.6
147.08005	4.0
149.06007	2.3
151.07555	1.4
153.09209	1.2
155.08548	1.7
157.10135	4.0
159.07974	3.8
163.07579	1.6
165.05576	1.3
165.09084	1.3
169.10156	2.1
173.09756	1.6
175.07567	1.5
181.06430	1.2
181.10196	1.9
183.08197	1.5
183.11723	1.4
185.09627	1.8
193.10182	1.2
194.11769	2.4
195.11838	1.2
197.09647	4.2
206.10971	1.6
210.11244	98.3
211.11208	2.3
211.14833	2.0
213.09071	1.4
216.55838	1.3
220.12402	1.7
221.13228	4.9
222.10309	1.2
223.14996	1.2
225.09186	1.7
229.87686	1.1
230.10828	1.1
235.14853	3.8
239.14340	2.3
241.10481	1.2
249.12775	1.4
252.12309	1.6
253.15892	1.7
263.14429	4.2
267.13840	1.5
281.15460	9.9
291.13846	1.5
299.16470	2.2
309.14865	9.6
327.15903	6.7
328.46982	1.2
369.16904	2.3
489.21384	5.4
638.30151	1.2
698.31702	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	698.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55294	1.0
58.57621	1.0
69.07054	1.4
79.05480	1.7
81.07032	1.6
83.04984	1.8
91.05476	86.3
103.05443	1.5
105.07045	2.3
107.04975	4.5
107.08569	1.7
119.04932	18.7
119.08572	6.3
123.08140	1.4
125.05975	2.1
133.06480	1.5
134.09644	26.6
135.08058	2.3
143.08517	1.4
147.08049	2.5
151.07578	1.3
153.09108	1.4
155.08673	1.5
157.10135	4.6
161.09593	1.5
165.09143	1.7
167.08653	1.6
169.10190	1.7
183.07942	1.4
183.11595	1.4
193.10124	2.1
194.11691	2.1
195.11647	1.9
197.09639	4.9
206.10918	2.0
207.11800	1.3
209.13283	2.3
210.11238	82.0
211.11229	1.2
211.14844	4.8
220.12479	1.6
221.13251	2.3
225.09233	2.0
235.14806	2.3
239.10558	1.8
239.14320	1.6
253.15887	5.2
263.14188	3.0
281.15305	9.6
298.92923	1.3
299.16391	2.9
309.14810	7.8
327.15918	5.1
489.21225	6.8
500.65958	1.4
628.67792	1.6
698.31622	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	698.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40008	0.9
62.14077	0.8
65.03911	0.9
75.72566	1.0
82.22058	1.0
91.05470	5.3
95.08608	1.3
102.43378	0.9
102.60602	0.9
104.20383	1.0
105.07036	6.1
107.04958	1.5
107.08589	2.3
119.04936	32.1
119.08562	1.5
121.10171	1.9
131.08586	1.2
133.06516	4.9
143.08533	1.7
145.08917	1.0
145.10132	1.3
147.04407	100.0
157.10135	4.5
169.10095	1.6
183.11703	9.0
189.05446	41.9
195.11734	1.3
197.13199	1.5
199.11111	1.5
207.11676	4.0
209.13319	1.3
211.14896	1.2
227.18613	1.0
239.18005	1.6
249.16354	5.0
260.21582	1.1
267.17453	17.9
285.18655	1.3
295.16910	4.5
327.19348	1.1
385.93152	1.0
422.89377	1.1
425.63275	1.1
561.24750	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	698.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55294	1.0
58.57621	1.0
69.07054	1.4
79.05480	1.7
81.07032	1.6
83.04984	1.8
91.05476	86.3
103.05443	1.5
105.07045	2.3
107.04975	4.5
107.08569	1.7
119.04932	18.7
119.08572	6.3
123.08140	1.4
125.05975	2.1
133.06480	1.5
134.09644	26.6
135.08058	2.3
143.08517	1.4
147.08049	2.5
151.07578	1.3
153.09108	1.4
155.08673	1.5
157.10135	4.6
161.09593	1.5
165.09143	1.7
167.08653	1.6
169.10190	1.7
183.07942	1.4
183.11595	1.4
193.10124	2.1
194.11691	2.1
195.11647	1.9
197.09639	4.9
206.10918	2.0
207.11800	1.3
209.13283	2.3
210.11238	82.0
211.11229	1.2
211.14844	4.8
220.12479	1.6
221.13251	2.3
225.09233	2.0
235.14806	2.3
239.10558	1.8
239.14320	1.6
253.15887	5.2
263.14188	3.0
281.15305	9.6
298.92923	1.3
299.16391	2.9
309.14810	7.8
327.15918	5.1
489.21225	6.8
500.65958	1.4
628.67792	1.6
698.31622	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	698.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22559	1.9
59.23253	1.9
67.05482	2.1
67.84558	2.6
69.07087	2.7
79.05484	2.1
81.07070	2.5
91.05483	3.4
93.07027	3.8
95.08621	4.3
97.06481	3.0
100.63214	2.1
105.07038	11.9
107.04954	8.6
107.08585	9.0
108.05232	2.7
109.10165	3.3
117.06979	3.1
119.08569	14.6
121.10116	3.0
123.08073	3.6
130.91562	2.0
131.08575	9.5
133.10101	3.6
134.09648	4.4
135.08067	4.0
137.09596	3.4
143.08583	14.3
145.10106	4.7
147.08038	3.9
149.09595	5.3
155.08566	12.4
157.10109	10.6
159.08032	4.9
159.11711	3.4
161.09608	4.1
163.11150	2.6
167.08620	3.1
169.10132	9.4
171.08080	3.3
171.11624	7.6
173.09589	4.8
174.97812	2.3
175.11220	3.0
179.08522	4.0
181.10110	48.4
183.11661	10.5
185.09509	2.5
187.11221	3.5
193.10136	3.8
195.11671	24.4
197.09615	3.8
197.13263	10.4
199.11183	9.6
201.12749	3.4
204.09163	3.2
206.10934	2.6
207.11697	13.3
208.12482	2.5
209.09642	3.6
209.13286	26.4
211.11218	2.3
211.14874	3.1
213.12741	2.9
219.11752	5.2
220.12544	2.8
221.13257	11.4
222.10455	3.0
222.14084	2.4
223.11162	14.0
223.14809	4.6
225.12714	4.5
227.10950	2.3
227.14342	2.9
231.11761	4.6
232.12376	2.6
235.14798	4.1
236.12047	4.6
236.15570	2.9
237.12733	28.9
237.16412	14.1
246.13957	10.1
251.17888	27.3
255.13762	3.0
261.16330	26.0
264.15164	3.9
269.18982	5.5
279.17404	100.0
297.18454	35.2
321.18369	4.9
339.19592	17.3
357.20633	10.7
373.75052	2.5
399.21649	30.2
417.22586	5.3
459.23672	35.6
519.25781	11.3
561.27045	2.9
638.36432	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	698.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09162	1.1
71.79259	1.0
74.06058	1.2
79.05497	9.2
81.07034	1.8
91.05472	2.1
93.07030	1.7
95.04943	1.7
100.66576	1.0
105.07031	11.6
107.04955	89.8
107.08568	1.2
117.77184	1.1
119.08602	5.2
120.08093	20.5
121.10116	2.0
131.08545	2.5
133.10173	2.6
141.06900	1.3
143.08531	4.7
145.10133	2.1
147.08099	1.7
149.05981	21.4
155.08632	2.2
157.10158	2.1
159.08002	4.8
167.08560	2.1
169.10086	2.0
171.11652	1.5
178.07796	1.3
179.08525	1.7
180.10194	100.0
181.10168	4.9
183.11742	2.5
193.10121	1.7
193.36082	1.1
195.11671	6.5
205.10101	1.4
206.10863	1.9
207.11682	1.9
209.13228	6.7
213.12825	1.1
219.11710	1.3
221.13243	2.6
222.11273	5.1
222.14067	1.3
223.11172	1.3
231.11758	2.3
235.14819	1.6
236.15552	1.4
237.16403	2.6
246.14026	4.8
251.18024	2.2
261.16348	4.6
279.17487	11.9
297.18393	1.8
339.19501	4.6
353.43707	1.2
484.10474	1.3
500.50558	1.3
578.31073	6.0
638.33160	16.7
698.34473	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	698.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03164	1.0
54.27478	1.1
68.99924	1.2
74.06054	1.2
79.05481	6.3
83.08611	1.9
83.97401	1.2
91.05479	1.6
93.07021	2.3
93.51170	1.2
94.59228	1.3
95.04894	1.4
95.08556	1.7
105.07018	11.7
107.04951	94.9
107.08604	2.2
109.86555	1.4
109.90172	1.3
119.08553	3.2
120.08099	18.3
131.08551	5.9
133.10110	2.1
133.13136	1.3
133.41194	1.5
135.08043	1.6
143.08563	5.3
145.10120	2.7
147.11673	1.4
149.05977	21.5
155.08514	1.8
157.10127	2.5
159.07961	1.5
163.86174	1.5
169.10117	2.5
180.10185	100.0
195.11739	6.7
207.11650	2.1
209.13185	6.2
221.13326	2.8
222.11201	7.0
231.11682	2.2
246.14058	2.2
251.17929	2.5
261.16461	5.0
271.16931	8.4
279.17514	5.9
297.18527	9.0
357.20670	1.4
395.50211	1.6
512.27032	1.5
578.30737	4.6
638.33258	21.8
686.94672	1.6
698.31244	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	698.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69669	0.8
60.37968	1.0
63.72549	0.8
65.22012	0.9
67.05499	1.0
79.05504	7.7
81.07043	1.7
91.05477	4.0
93.07022	1.7
95.08607	3.7
105.07033	12.5
107.04951	92.1
107.08611	3.9
109.06496	2.1
109.10167	1.0
112.75761	1.0
117.06950	1.6
119.08570	5.9
120.08090	22.1
121.10156	4.5
129.12990	0.9
131.08531	1.4
133.10114	4.2
134.09656	2.1
135.07977	1.3
143.08553	4.0
145.10129	4.2
147.08090	1.3
149.05978	20.3
149.09599	1.5
155.08522	3.5
157.10133	3.9
159.08035	4.3
159.11838	1.2
165.06956	1.0
167.08553	1.6
169.10133	4.6
171.11676	2.1
179.08591	1.3
180.10185	100.0
181.10123	5.3
183.11636	4.0
185.09645	1.1
192.09253	1.0
193.10115	2.2
194.11729	5.1
195.11646	6.9
197.09671	0.9
200.24113	0.9
203.08859	1.2
206.10977	1.6
207.11711	2.3
208.12337	1.5
209.13277	5.4
212.47774	1.0
219.11728	2.2
221.13284	4.6
222.11310	8.0
223.11324	1.5
223.14769	2.0
231.11720	4.7
237.12717	3.4
237.16385	4.0
246.14018	4.4
251.17944	5.4
261.16434	5.2
272.41107	1.1
279.17444	11.8
297.18445	2.2
315.82413	0.9
339.19492	5.2
391.50064	1.0
558.03412	1.1
578.30896	5.4
638.32935	14.2
698.34552	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	698.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11989	1.1
58.82795	1.3
59.04984	1.9
59.90352	1.0
62.02328	1.1
68.72826	1.0
79.05498	10.3
87.77588	1.2
90.26287	1.4
91.05472	5.2
93.07027	1.6
99.83498	1.5
105.07020	6.1
107.04957	100.0
119.08570	2.1
120.08087	18.9
129.06981	1.7
130.24332	1.4
131.08601	1.6
133.10065	1.4
134.09653	5.2
135.07941	1.5
143.08540	2.5
147.08058	1.7
149.05954	22.5
158.80656	1.3
169.10126	7.4
179.08557	8.3
180.10217	49.1
181.10057	2.4
183.11697	6.1
192.09328	5.1
193.10172	6.0
194.11754	28.9
195.11687	3.2
197.09462	1.4
206.10880	19.6
209.13174	2.0
209.53586	1.3
211.11234	1.4
211.14815	7.7
221.13239	29.2
223.14796	1.6
233.23900	1.3
239.14290	12.9
281.15198	1.7
299.16394	6.1
303.98245	1.4
341.17740	1.6
393.29239	1.4
460.24817	6.5
500.79254	1.4
520.26788	33.1
578.30750	2.2
580.29016	21.3
638.33368	11.3
698.34497	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	698.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.4
70.08652	0.9
74.06097	1.4
79.05485	6.4
81.07046	1.2
81.44917	1.1
83.42603	1.1
91.05481	2.5
93.07043	1.5
105.07014	5.7
107.04949	100.0
119.08560	2.1
120.08090	15.1
121.10197	1.3
129.06996	1.1
131.08533	1.8
133.06505	1.4
134.09676	2.1
143.08554	1.4
147.08028	1.8
149.05960	21.2
155.08455	3.8
155.33536	1.0
157.10046	1.1
159.08073	1.4
169.10104	4.7
179.08578	6.5
180.10193	53.9
181.10130	2.2
183.11713	4.4
191.08524	4.1
192.09305	1.9
193.10060	4.7
194.11781	23.4
195.11681	7.0
206.10919	9.1
209.13225	1.8
211.14824	4.6
221.13245	24.3
223.14706	1.3
236.15518	1.2
239.14325	7.5
246.13937	2.4
251.17822	1.9
261.16425	1.5
279.17297	4.1
299.16589	1.1
460.24985	1.5
520.26929	21.0
522.85785	1.0
567.86829	1.3
578.31067	1.4
580.28973	20.3
612.34253	1.1
620.30829	1.3
635.15930	1.3
638.32825	10.9
690.35767	1.1
698.34283	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	698.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06238	0.7
63.72238	0.6
64.52028	0.7
66.01202	0.6
79.05483	8.6
81.45675	0.7
93.06989	0.9
105.07016	5.9
107.04951	82.6
119.08560	1.5
120.08097	10.3
133.10208	1.0
135.08081	1.0
140.68343	0.7
149.05963	20.9
171.89592	0.8
179.08499	1.0
180.10185	100.0
195.05632	0.7
195.11707	1.0
197.09622	1.0
206.10887	1.2
221.13246	1.6
222.11237	8.6
223.14856	1.1
239.14288	1.4
246.14206	0.8
264.15189	1.1
279.17584	0.8
297.18417	0.7
302.90979	0.7
400.23505	0.8
460.24677	1.1
578.30890	1.0
638.33136	3.1
698.35168	21.9
701.39954	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	698.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07684	1.1
58.72274	1.1
63.10993	1.5
67.05510	2.1
74.06071	2.4
77.66306	1.2
78.58319	1.2
81.07073	1.6
83.08617	2.0
91.05481	100.0
93.07040	1.9
98.29839	1.3
105.07038	8.8
107.04958	2.5
107.08614	2.7
109.10145	1.9
119.04932	30.9
119.08553	5.8
120.08101	63.9
121.10139	2.7
122.47550	1.7
131.04900	1.8
131.08560	6.0
133.10164	9.3
134.09630	2.5
135.08051	1.4
143.08548	5.5
145.10123	3.2
147.04422	21.7
147.11713	1.8
156.77829	1.7
157.10115	3.3
169.10101	7.7
171.11708	2.8
175.11229	1.7
181.10156	2.4
183.11696	2.8
185.13217	1.8
187.10974	1.6
193.10178	2.4
195.11710	2.3
196.09688	84.9
197.13263	2.6
206.10890	1.7
207.11696	7.3
209.13408	2.4
211.11276	2.5
211.14867	2.1
220.12408	3.1
221.13223	7.8
233.13145	2.9
238.10715	21.1
248.15691	5.7
253.19528	1.9
263.17853	10.2
281.18976	6.1
299.19980	1.4
518.28809	11.2
591.72272	1.5
596.32153	10.7
621.29211	1.6
638.33124	45.0
698.35144	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	698.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85417	12.0
53.89214	11.9
54.02840	12.7
59.27053	13.2
59.81085	12.5
62.07854	12.3
65.66569	16.8
70.86930	13.6
73.52251	15.4
85.71502	16.5
107.08633	19.0
119.08563	33.3
120.66692	15.4
121.10150	15.9
127.58085	17.2
133.10136	100.0
145.10207	27.5
152.65184	16.7
209.13315	16.4
244.96628	19.8
265.19424	62.8
295.67801	16.1
651.94537	18.6
698.38947	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	10.7
61.02935	11.1
67.05498	32.1
69.07074	13.5
81.07056	36.2
83.08620	32.7
85.02930	9.8
91.03977	10.1
93.07037	9.5
95.08592	38.1
97.02894	9.8
97.06522	6.1
97.10162	14.0
100.91011	6.4
107.08590	10.2
107.85469	5.6
109.10162	27.6
121.10110	35.0
131.04903	25.4
135.11728	25.3
135.30905	6.3
137.13228	7.0
145.05016	7.2
149.13260	9.1
195.11482	7.9
247.24231	22.3
265.25241	40.0
289.80072	6.6
339.28833	57.8
357.29993	100.0
364.44495	7.4
401.23578	6.3
405.73184	6.4
557.85645	6.9
592.87195	7.1
611.36115	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	698.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.03436	3.3
57.07070	2.1
67.05505	38.6
69.07067	10.5
71.05015	2.5
79.05499	36.4
81.07058	50.1
81.86275	2.0
83.08643	7.9
85.06547	2.8
91.05480	11.5
93.07052	54.5
95.08611	21.7
97.06522	9.9
99.08083	2.7
105.07035	8.2
107.08600	27.0
109.10149	11.8
117.07009	4.4
119.08591	4.3
121.10144	25.9
123.11707	3.1
131.08566	8.7
133.10124	8.9
135.11685	11.8
147.11688	3.6
149.13231	21.2
159.11647	13.5
173.13301	2.6
190.54152	2.1
192.41505	2.3
193.05319	2.4
194.27211	2.3
215.17989	2.5
233.19016	5.0
256.83408	2.2
269.17450	34.8
307.22714	34.0
340.81430	2.4
386.06607	2.2
501.35718	100.0
724.99927	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	699.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28585	2.2
53.02555	2.4
53.03946	4.4
64.19291	2.4
65.28678	2.9
67.05502	4.6
69.07061	4.9
77.03897	3.4
77.39259	2.6
79.05486	4.2
81.07036	2.5
91.05465	4.5
93.07035	11.3
95.04952	13.9
95.08596	4.0
97.06537	3.0
105.03395	100.0
105.04475	4.8
105.07022	20.7
107.08591	14.4
109.10122	4.5
117.07027	3.2
119.08544	13.1
121.06485	4.3
121.10131	13.1
123.08089	3.2
128.06299	3.5
129.07010	10.5
131.08571	10.7
133.06471	22.1
133.10092	13.9
135.08058	3.5
137.09555	4.8
143.08557	22.0
145.06493	5.1
145.10081	13.8
147.08014	12.0
147.11699	4.4
149.09659	5.0
155.08507	5.7
156.09309	2.8
157.10103	5.1
159.08067	14.4
161.09579	4.3
167.08548	3.4
169.10098	15.1
171.08035	5.8
173.09662	10.4
175.07565	6.0
179.08554	4.6
181.10155	13.2
183.11688	23.8
185.09630	6.7
187.11156	3.4
192.09373	13.1
193.10143	26.0
194.10916	6.9
195.11781	13.1
197.09624	12.5
197.13264	4.2
198.94334	3.1
199.11060	4.7
205.10126	3.6
206.10909	6.4
207.11703	36.2
209.09624	4.6
209.13280	4.5
210.74353	2.8
211.11205	13.2
217.10184	5.2
219.11711	15.0
220.12465	17.1
221.09697	5.5
221.13251	13.3
223.11156	13.2
223.14650	5.9
225.12851	9.4
229.10115	5.1
232.12553	3.7
233.01826	3.4
233.13161	4.2
234.14032	19.6
235.11136	11.7
235.14745	6.5
237.16481	3.6
239.10635	4.9
239.17905	3.7
244.12471	23.1
247.11131	5.5
247.14833	5.6
249.16318	33.0
251.14345	3.4
253.12183	4.2
259.14804	23.2
262.13596	13.6
265.15872	6.9
267.17474	17.2
277.15845	75.1
295.16946	50.2
313.17825	20.4
337.18015	16.1
355.19098	44.8
397.20151	15.6
415.21069	4.6
418.55328	3.5
427.26428	3.1
457.22229	40.9
650.03375	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63316	0.5
62.42570	0.4
68.92812	0.4
72.91795	0.6
78.29919	0.4
86.30020	0.4
107.04994	0.8
112.27209	0.5
159.41409	0.6
185.04251	0.6
194.81306	0.5
203.05347	2.2
230.14125	0.5
259.07883	2.6
347.09494	2.2
365.10559	4.9
421.13171	2.2
467.93494	0.6
537.30359	33.0
613.33301	0.5
699.35577	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68585	0.5
65.29813	0.5
69.78434	0.5
75.54528	0.7
88.58629	0.6
92.18506	0.9
125.04096	0.7
133.83449	0.6
138.53918	0.6
149.25739	0.6
151.87807	0.6
159.83945	0.6
178.61766	0.6
185.04245	1.1
202.33142	0.6
205.49937	0.6
236.84709	0.6
304.32947	0.6
312.88361	0.6
314.15869	0.6
347.09381	0.8
484.28638	0.7
537.30316	33.4
699.35583	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	700.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19374	1.6
63.38531	1.8
64.42994	2.1
79.05476	9.1
83.04990	2.2
91.05449	4.1
93.07078	6.5
95.04974	7.9
95.08584	2.6
101.29027	1.7
103.05476	20.5
103.46008	1.6
105.03396	3.5
105.07024	7.8
107.04947	30.4
107.08572	3.5
111.04377	2.1
117.07005	2.3
119.08574	12.3
120.08053	3.5
121.06541	3.1
121.10122	3.1
123.08041	1.9
129.06935	2.1
131.04926	100.0
131.08575	3.6
133.10126	15.3
135.07976	4.2
137.09633	3.3
143.08553	4.3
145.10088	3.7
147.04305	2.3
147.08023	9.8
149.05963	4.1
149.09650	4.0
155.08601	1.9
157.10103	4.6
159.08099	2.6
159.11652	3.4
161.09610	2.9
169.10155	2.8
171.07988	2.5
171.11703	8.3
173.09570	3.6
180.10207	8.5
181.10112	3.9
183.11699	8.1
187.11157	4.1
193.10136	2.1
197.13266	3.3
199.11223	2.8
209.13315	2.5
211.11153	2.7
211.14824	3.9
215.14278	3.5
221.13293	3.7
225.12706	3.0
227.14163	2.9
249.16344	3.1
262.13513	2.8
266.91083	1.9
267.17407	8.9
269.15323	2.2
277.15637	2.3
285.18704	2.8
295.16913	24.0
313.18002	28.3
355.19000	14.9
373.19998	3.0
388.50153	2.2
443.22772	1.9
461.23145	10.1
503.24393	14.6
642.30341	15.8
699.91431	2.2
700.34326	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	700.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21022	0.7
54.29513	0.8
54.90390	0.8
60.55699	0.8
65.03968	0.9
78.80504	0.9
79.05476	1.3
91.05477	38.9
93.07039	1.5
95.08597	1.2
103.05421	1.1
104.57999	0.9
105.07012	4.0
107.04974	1.7
119.04929	9.4
119.08538	1.8
121.06469	1.2
121.10159	1.4
131.08580	1.9
133.10133	2.0
134.09650	100.0
137.09593	1.8
143.08554	1.8
147.08040	1.5
148.11162	1.4
159.08089	1.4
164.10640	1.1
171.11604	1.4
179.08586	1.1
183.11703	1.6
193.10287	1.2
195.11728	2.1
197.09666	1.2
197.13055	1.1
199.11290	1.2
210.11250	58.8
232.12448	1.0
241.50974	1.0
252.12263	1.9
265.15771	1.5
283.16766	1.1
293.15448	2.1
298.73343	1.1
301.31049	1.0
311.16391	4.0
342.14441	0.9
389.31589	1.0
467.70697	1.0
580.28748	1.9
598.29993	2.0
640.31055	18.4
640.70453	1.1
700.33203	8.9
701.77728	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	700.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.8
57.46405	1.6
57.98127	1.3
58.06593	1.9
62.06095	79.0
66.63995	1.3
67.50853	1.4
79.05482	2.9
81.07031	2.5
82.09855	1.4
86.85807	1.8
91.05476	100.0
93.07037	8.8
94.94381	1.5
95.08548	1.5
100.99776	1.5
103.05498	1.6
105.07030	11.5
107.04931	11.4
107.08574	7.5
109.06465	1.8
109.10109	2.3
114.68976	1.4
117.07019	2.1
117.90909	1.6
119.04947	21.1
119.08581	30.1
121.06458	1.6
121.10135	12.4
127.83756	1.8
129.07104	1.8
131.08588	12.1
133.10100	6.5
134.09653	11.6
135.08047	6.0
137.09613	9.1
143.08528	2.1
145.10095	1.8
147.08076	2.5
157.10088	2.9
159.11673	5.6
161.09700	1.8
164.10716	11.7
169.10085	3.6
171.11595	1.6
180.10165	2.1
181.10107	2.3
183.11697	11.9
185.09660	1.6
185.13286	1.8
194.11662	1.6
195.11714	3.1
197.13191	2.7
199.11043	1.7
200.68224	1.5
201.12813	1.8
207.11772	3.0
208.09647	20.0
209.13155	2.0
210.11263	14.4
211.14769	2.2
226.08466	3.5
226.10721	95.5
237.16385	2.2
249.16327	3.5
267.17471	10.5
267.45596	1.7
285.18597	3.2
295.16949	2.7
298.21533	1.6
360.46558	1.7
640.30957	27.8
700.33209	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87882	1.2
51.92495	1.1
55.05508	1.3
55.12725	1.3
57.96749	1.3
58.06603	2.4
60.04515	1.2
62.06096	78.2
67.05514	1.2
68.97534	1.0
69.07087	1.7
72.04525	1.1
79.05498	1.7
81.07076	1.5
83.08617	1.4
91.05481	100.0
92.17867	1.4
93.07038	6.6
95.08591	2.7
103.05437	2.2
105.07017	16.8
107.04932	1.9
107.08608	8.3
109.06533	1.5
109.10139	2.7
110.12531	1.5
111.08087	1.5
115.05454	1.4
117.07016	5.9
119.04932	20.5
119.08585	32.1
121.06497	2.9
121.10149	13.1
123.08066	4.8
129.06982	2.2
131.08583	12.1
133.06453	2.1
133.10162	9.8
134.09653	13.3
135.08041	8.6
137.09633	9.3
142.07776	1.4
143.08583	7.4
145.10101	1.8
147.08083	1.7
147.11711	1.8
149.09601	2.4
155.08553	2.5
157.10153	6.1
159.11678	5.7
162.16853	1.5
164.10687	9.8
168.09381	1.9
169.10062	2.8
171.11655	2.6
173.09694	1.6
175.11130	2.6
179.08514	2.0
180.10329	1.3
181.10118	2.4
183.11674	18.8
192.09229	1.6
193.10046	2.3
195.11705	7.2
197.13301	4.8
199.11224	1.9
207.11722	4.8
208.09689	11.5
209.13303	5.0
210.11310	13.5
211.14848	2.8
217.40283	1.2
221.13174	1.4
223.11296	1.4
226.10733	86.7
234.13870	1.4
237.16380	6.1
239.17993	4.1
249.16406	6.6
265.15839	2.3
267.17416	10.2
283.17001	4.9
295.17203	1.3
311.16351	4.5
329.17279	1.5
371.18509	2.7
546.13629	1.2
640.31189	31.4
700.33325	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	700.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38883	4.8
60.01281	6.4
65.71764	7.1
69.43620	5.6
70.37000	5.4
73.05465	7.0
81.51968	5.9
95.04969	15.0
96.81549	7.4
97.06478	8.9
103.05502	7.5
109.06521	12.5
111.08099	13.3
113.78455	8.1
115.05533	6.4
119.08549	33.7
131.04907	44.3
143.08559	30.3
144.68842	7.5
145.10114	10.9
147.08040	12.0
153.53711	6.7
155.08549	12.5
157.10165	37.5
159.08058	8.0
161.09673	13.4
167.08502	34.3
169.10097	31.6
171.08170	12.0
171.11670	12.0
173.09634	8.6
181.10097	38.1
183.11653	45.2
185.09607	31.0
185.13187	7.4
187.11107	7.4
193.10208	24.4
194.10986	7.9
195.11673	44.0
197.09604	26.9
197.13242	42.6
199.11160	6.8
207.11691	47.0
209.13319	48.3
211.11160	27.7
211.14757	10.4
213.12865	11.3
219.11642	15.7
220.12454	7.3
221.13216	36.2
223.14793	12.2
225.12715	47.7
225.16429	6.9
227.14218	14.0
235.14742	13.8
237.12729	54.0
239.10654	7.4
239.14281	16.0
249.16502	15.1
251.14368	8.9
253.15866	30.0
255.13812	49.6
267.17419	11.9
277.15881	35.4
295.16934	100.0
297.14948	48.1
312.68958	6.8
313.17905	47.2
327.19656	7.7
331.18942	7.7
337.17975	10.3
355.19012	94.3
373.20105	29.9
400.03586	6.8
415.21075	26.0
417.18826	8.1
540.30121	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	700.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30302	3.5
67.05515	6.7
91.05460	5.6
92.17879	10.0
103.05472	7.9
105.06983	5.3
107.08596	6.2
117.33095	5.8
119.08569	8.0
131.04904	100.0
133.10109	23.0
149.09605	6.8
161.07339	4.4
168.21320	4.6
183.11731	6.1
189.12877	5.3
277.15683	6.0
279.40878	4.6
295.16687	18.5
313.18027	28.3
380.09317	5.0
402.93314	5.0
460.36826	6.6
461.23392	16.7
469.59283	4.6
503.24200	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	700.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05463	1.5
68.05041	1.7
91.05441	2.1
93.07062	2.3
95.04987	2.1
95.08598	2.9
103.05470	19.8
105.07027	9.0
107.08602	3.9
119.08558	2.2
121.06484	2.8
131.04924	100.0
131.08498	1.8
133.06453	7.2
135.08092	2.8
145.10109	3.1
161.09558	3.7
163.03888	3.0
167.08507	2.0
169.10117	8.1
173.09541	3.0
177.09129	3.3
181.10097	3.1
183.11618	1.9
185.09579	2.3
190.05879	1.9
193.10211	3.7
195.11699	2.2
197.09641	2.0
207.11668	4.1
209.13286	9.6
211.11168	10.2
218.14528	1.8
219.11687	2.8
221.13159	2.4
222.10345	3.8
225.12823	3.3
235.11276	4.2
237.12738	58.0
243.17197	1.8
244.12360	2.5
249.16373	7.8
253.12268	4.2
255.13782	8.8
259.14795	2.1
262.13495	3.6
267.17490	9.5
271.13403	3.0
275.61386	2.3
277.15750	13.8
279.13788	11.0
295.16888	19.8
297.14771	15.9
313.17999	7.6
331.18799	2.4
339.15875	3.1
355.18924	4.0
357.06888	2.0
373.20090	15.3
415.21124	20.3
427.19254	3.1
445.19998	4.3
457.22284	17.1
487.21472	3.4
503.33826	3.0
621.93536	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	700.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44568	2.1
61.22869	2.5
62.06082	5.8
79.05490	5.4
81.07059	4.5
91.05478	26.7
93.07076	3.5
95.04966	5.5
95.08600	17.6
105.07030	13.5
107.04961	74.7
107.08575	8.7
109.10172	5.7
119.04940	77.9
119.08588	35.5
121.10143	9.9
123.08058	14.4
131.08549	5.2
133.06456	3.6
133.10121	5.5
134.09644	29.7
137.09596	4.1
143.08519	4.7
145.10132	5.2
147.04404	100.0
147.08080	4.3
149.05988	13.8
149.09558	3.9
157.10049	8.9
159.11700	4.7
169.10066	9.6
171.11711	3.8
180.10245	5.2
181.10275	3.9
183.11748	5.7
185.13304	3.5
189.05508	5.1
194.11761	53.4
195.11708	4.4
197.13297	4.2
199.11272	3.0
209.13338	4.2
213.12724	4.7
226.10815	10.3
251.17914	5.1
252.12302	67.9
267.17496	6.1
269.19019	3.9
271.16922	11.6
272.97943	3.0
279.17499	3.4
285.18475	4.4
297.18472	3.8
543.21710	2.6
700.37042	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58161	0.9
59.04963	1.4
62.06102	1.4
67.05495	2.7
79.05494	3.1
81.07057	1.9
91.05479	22.2
93.07038	5.0
95.04955	2.7
95.08627	14.2
101.27192	1.1
105.07030	9.4
107.04965	11.6
107.08594	5.9
109.06495	1.8
109.10126	2.1
117.07007	1.4
119.04945	66.5
119.08565	19.5
121.06490	1.8
121.10137	4.9
123.08049	11.3
123.11721	1.5
131.08568	2.9
133.06506	2.1
133.10104	7.1
134.09634	17.6
135.08026	2.4
135.11679	4.6
137.09595	1.7
143.08496	2.0
145.10115	7.6
147.04407	100.0
147.08047	3.1
149.05974	2.4
149.09631	4.8
151.11136	1.8
155.08559	2.2
155.76949	1.3
157.10150	5.6
159.11685	1.8
161.09625	2.0
163.11128	3.1
165.05511	3.1
169.10226	4.5
173.09607	1.7
175.11191	1.5
179.08849	1.4
181.10266	2.2
181.12331	1.2
183.11760	2.8
185.09601	1.9
189.05504	7.3
191.85056	1.4
194.11794	12.5
195.11688	6.8
197.13295	1.6
207.06570	2.6
209.13243	6.8
210.11316	2.5
223.14769	1.6
226.10738	1.8
251.17976	8.1
252.12299	84.5
269.19110	2.7
271.16827	8.9
279.17401	4.7
297.18503	8.2
329.20929	1.8
357.94986	1.6
414.40994	1.5
631.30554	1.4
700.37018	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88151	1.6
55.05511	3.8
57.07095	1.9
62.06092	2.1
62.23759	1.9
67.05492	11.2
69.07051	3.9
79.05489	10.0
81.03434	2.9
81.07050	23.8
83.04971	2.7
91.05483	18.2
92.03742	2.3
92.18490	4.5
93.07044	25.3
93.69376	2.4
95.04956	3.4
95.08598	24.0
105.07037	25.9
107.04988	3.5
107.08591	39.5
109.10175	19.4
117.07005	9.1
119.08580	50.5
121.10168	19.7
123.11725	4.8
131.08536	16.5
133.06519	2.8
133.10123	89.3
135.08051	100.0
135.11707	3.5
137.09628	2.6
143.08557	20.6
145.06479	10.8
145.10129	56.4
147.08138	3.5
147.11670	16.1
155.08545	10.3
157.10179	19.2
159.11639	20.0
161.09593	17.3
161.13242	4.4
163.11156	29.8
169.10127	20.4
171.11665	23.8
173.13261	10.2
179.10693	3.4
181.10078	11.5
183.11658	15.5
185.13271	10.6
187.11148	2.9
194.10844	5.0
195.11745	19.8
197.13292	18.7
199.14883	3.6
201.12738	2.9
207.11598	2.5
208.12407	2.8
209.13249	30.8
211.14774	7.7
213.16219	2.7
221.13348	2.6
223.14851	28.0
224.76750	2.7
229.72179	2.2
237.16568	3.1
241.15749	3.3
250.17087	4.6
263.01843	2.8
265.19504	78.7
265.92828	2.3
270.57831	2.3
278.55301	2.5
283.20551	72.7
285.22287	4.3
301.21637	9.4
324.77518	2.4
325.21652	12.8
343.22705	3.3
385.23801	17.5
581.32745	3.2
623.34351	4.1
700.39642	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	700.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.6
57.17906	0.9
64.29053	1.0
67.05501	2.2
69.03435	9.0
73.06581	1.1
76.16179	1.0
79.05491	5.1
81.03415	2.6
81.07051	9.7
83.04996	1.1
85.02909	25.3
91.05469	5.2
93.07031	8.5
94.03257	1.1
95.04996	3.6
95.08621	11.1
97.02898	8.3
99.04446	4.8
105.06996	7.9
107.08601	21.8
109.02876	34.8
109.10134	6.9
114.10593	1.2
117.07037	2.8
119.04971	4.5
119.08572	14.5
121.10134	5.6
123.11687	6.4
127.03929	22.2
131.08546	2.3
133.06500	5.6
133.10135	17.0
135.08054	100.0
135.11685	2.4
137.09653	1.2
139.03870	2.7
143.08554	4.8
145.04968	7.2
145.06512	7.4
145.10126	12.4
147.08072	2.2
147.11703	2.6
157.10097	5.4
159.11664	2.3
160.36145	1.2
161.09624	10.3
163.11165	13.4
171.11699	5.2
173.13261	2.6
179.10651	6.3
181.10170	2.4
183.11726	2.7
185.13170	2.4
187.05936	2.0
187.11151	1.1
195.11690	5.3
197.13287	5.0
197.84143	1.0
199.14807	1.5
201.12772	1.2
205.07092	29.7
209.13237	6.4
211.14854	1.5
223.14851	6.0
227.14209	2.5
239.17874	1.7
265.19522	12.7
283.20557	34.5
301.21747	2.2
387.99097	1.3
419.27835	29.1
461.28995	21.6
645.51672	1.1
680.38647	1.3
700.34540	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	701.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37177	1.5
57.03443	3.3
69.03413	3.8
73.02906	3.2
75.42407	1.5
76.29569	1.6
79.05489	2.8
79.80070	1.6
85.02905	3.2
89.68344	1.8
91.05476	4.0
93.07038	7.6
95.04949	10.8
95.08604	1.9
95.33644	1.8
97.02888	8.9
105.03394	100.0
105.04504	3.7
105.05489	1.6
105.07012	17.8
107.08600	4.6
109.06494	3.8
115.03934	2.2
117.07001	1.9
119.08582	8.0
121.06499	10.3
121.10117	7.9
129.06998	2.2
131.08545	2.3
133.06502	14.6
133.10159	8.0
135.08038	7.2
137.05937	2.3
143.08536	4.6
145.06520	2.6
145.10155	2.4
147.04446	2.2
147.08002	6.8
149.05994	2.5
149.09610	3.6
155.08580	3.1
157.04890	2.8
157.10120	2.7
159.08072	4.1
161.09584	7.7
169.10114	3.2
171.08041	3.0
171.11665	2.7
173.09584	3.0
181.10110	3.5
183.11699	3.3
194.10918	3.1
195.11755	8.2
197.09676	3.7
197.13287	2.2
199.11203	3.4
206.10898	3.1
207.11681	7.9
209.09644	3.3
209.13255	2.4
211.11171	7.3
211.14922	2.2
213.12695	3.0
215.39241	2.4
220.12485	2.9
221.13235	4.3
225.12749	4.6
230.10849	2.0
235.14760	4.4
236.12009	2.7
237.12775	3.9
239.14258	2.6
249.16385	2.5
251.14320	3.6
253.16104	3.2
263.14258	4.6
265.12509	1.9
265.15646	2.9
281.15396	12.1
283.16849	3.0
293.15173	2.4
299.16516	3.5
309.14893	17.4
311.13135	2.1
311.16232	14.7
327.15958	17.9
359.48059	2.5
371.18655	4.3
383.65787	2.0
387.18042	8.8
449.19263	3.3
493.22211	2.9
509.21890	14.3
701.28430	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	701.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
56.39994	1.9
57.03453	1.9
66.11997	1.8
67.05521	2.0
69.03423	4.1
73.02905	9.6
73.34625	1.9
85.02907	2.9
91.05479	8.2
93.07024	10.2
95.04960	11.5
95.45564	2.0
97.02885	9.0
105.03396	100.0
105.07041	13.1
107.08608	9.6
109.06511	3.6
111.62819	1.9
115.03900	3.6
115.50955	2.2
116.91759	2.2
119.08577	4.4
120.55238	1.8
121.06512	10.0
121.10134	8.6
123.08053	2.0
131.08539	4.7
133.06483	14.4
133.10097	4.9
135.08029	7.7
143.08502	2.3
145.06526	2.7
145.10138	4.1
147.08015	2.4
149.05984	10.6
149.09639	8.2
151.07506	3.2
155.08592	1.8
157.10109	2.5
158.70682	2.0
159.08049	5.0
160.17715	2.1
161.06102	1.9
161.09622	9.9
169.10091	4.3
173.09630	4.2
177.05569	2.9
177.09061	3.3
183.11671	4.3
187.07576	2.4
187.11124	2.4
193.10124	4.9
194.10896	3.1
195.11697	10.1
197.13228	3.7
199.11237	2.8
207.11821	3.6
211.11153	3.4
214.01405	2.3
219.06578	2.3
220.20126	2.0
221.13287	3.1
223.11116	4.6
233.09627	2.0
234.14166	2.5
235.14841	4.2
237.12613	3.4
238.13568	2.5
239.14348	3.4
241.12260	3.1
247.14822	2.7
248.11864	3.0
249.12782	2.5
251.10687	2.4
251.14317	3.8
253.15884	3.2
263.14392	9.0
265.15720	3.1
269.11612	3.1
281.15363	10.3
283.16998	3.1
291.13831	3.0
299.16492	3.9
309.14908	12.1
311.16461	12.3
327.15817	17.1
342.45386	2.4
345.16705	2.6
371.18433	3.1
387.17975	9.4
449.19876	3.9
509.21759	14.5
513.22803	2.0
533.44281	2.6
569.23663	3.8
701.28821	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	701.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98488	0.3
105.38861	0.3
185.04214	1.6
203.05293	3.6
259.07965	2.4
335.35007	0.4
347.09619	1.8
365.10556	4.8
399.57123	0.4
421.13235	1.9
443.95856	0.5
470.84967	0.4
539.31921	35.1
701.37164	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	701.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03436	7.6
62.55456	4.3
67.05500	22.2
69.03431	11.0
69.07059	6.8
71.04965	4.5
79.05508	33.3
81.03439	30.7
81.07051	25.0
83.04966	7.1
83.08583	4.1
85.02917	5.3
91.05462	22.3
93.07024	34.2
95.04965	6.7
95.08602	26.4
97.02879	9.0
98.65884	4.3
105.07032	26.9
107.08575	8.1
109.06526	4.0
109.10117	6.3
119.08575	25.6
121.10117	10.8
129.07024	6.1
131.08553	17.4
133.10101	19.3
135.11671	7.6
143.08548	6.9
145.10089	26.6
147.11696	7.6
157.10107	6.6
159.08044	6.6
159.11671	5.9
161.13174	5.3
167.08560	4.4
169.10118	10.6
171.11685	20.6
173.04344	5.4
181.10104	5.8
195.11734	9.6
197.13275	8.8
199.14670	4.6
207.11742	4.8
223.11113	5.0
281.17511	7.6
313.27512	4.8
356.86310	4.0
406.94516	3.9
502.68747	4.4
539.37317	55.8
647.39056	8.8
665.39496	6.8
683.41748	9.2
701.42511	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	702.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34954	0.9
55.05498	1.0
55.55658	0.9
61.47281	1.0
70.34476	0.9
73.45882	0.9
79.05483	5.3
81.07077	4.0
91.05464	7.6
93.07038	5.0
95.04955	5.6
95.08575	4.3
96.98253	0.9
97.06519	2.4
103.05465	18.9
105.07034	11.9
106.06561	27.4
107.04939	8.6
107.08597	7.8
109.06496	6.0
109.10161	4.2
117.07024	2.0
119.08567	8.7
119.23753	0.9
121.06472	4.4
121.10127	6.8
123.08045	6.5
123.58472	0.9
124.61121	0.9
129.07022	1.9
131.04922	100.0
131.08559	6.1
133.06453	2.0
133.10129	7.1
135.08032	2.1
137.09613	4.3
143.08546	6.3
145.06418	1.2
145.10104	7.1
147.07996	1.5
147.11676	2.1
148.07547	6.7
149.05978	1.8
151.07590	1.6
155.08591	4.9
157.10164	8.5
159.08110	2.0
159.11598	7.3
161.09555	4.4
161.49321	1.1
163.11177	1.6
166.08650	2.4
169.10149	4.4
171.07919	1.5
171.11667	6.2
173.09618	6.4
173.13211	1.3
175.11148	5.5
181.10089	5.5
183.11684	4.4
185.09612	1.7
185.13243	1.6
187.11214	1.5
190.08667	4.2
193.10039	1.9
195.11761	7.6
197.09541	1.4
197.13222	2.5
199.11189	2.2
199.14897	1.2
201.12808	1.0
206.10870	1.2
207.11690	1.8
208.12549	1.1
209.13248	6.4
210.11298	2.1
211.11183	1.9
211.14801	1.8
213.12665	1.8
215.14374	1.9
221.13289	1.8
223.11113	1.2
223.14890	1.5
225.12740	1.4
225.16293	2.2
236.15654	1.3
237.12770	1.9
237.16199	1.2
239.14241	1.4
251.17899	5.2
253.16063	1.4
261.16379	2.0
267.17587	1.4
269.19009	5.2
279.17401	9.0
297.18417	12.6
315.19540	4.4
339.19141	1.3
357.20520	5.7
375.21567	2.3
445.23660	2.4
505.25314	1.2
522.28558	9.1
564.29620	1.1
582.30774	18.0
600.31622	5.2
642.32684	30.1
702.34448	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	702.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	1.5
72.04514	1.4
79.05490	4.6
79.52816	1.2
91.05475	44.8
93.07029	1.2
95.04971	2.1
95.08628	1.6
105.07002	5.8
107.04954	49.7
107.08598	5.5
115.26606	1.1
116.52061	1.2
119.04918	9.7
119.08574	7.7
121.06506	1.5
121.10170	1.4
128.86073	1.3
129.07037	1.6
131.08586	4.7
133.10117	2.6
134.09653	24.6
135.08035	1.3
137.09607	2.1
141.07005	1.4
143.08557	6.3
145.06520	1.9
145.10146	4.2
147.08093	2.6
149.05978	11.3
149.09578	2.4
149.32974	1.1
153.09125	6.7
155.02536	1.3
155.08527	1.5
157.10181	5.7
159.08064	2.8
159.11658	1.5
161.09618	1.9
167.08553	1.6
169.10117	2.7
171.08083	2.8
171.11697	5.8
181.10139	2.6
183.11693	2.7
185.09657	2.8
185.13249	2.7
187.97639	1.2
193.10139	1.3
194.11772	46.0
195.11632	8.6
196.12524	1.4
197.09718	1.9
197.13309	2.0
199.11203	1.9
209.13216	5.6
210.11234	62.9
211.11317	1.6
211.14778	1.4
213.12730	2.3
225.12746	1.4
241.12233	2.0
252.12302	1.3
273.94012	1.2
286.94955	1.4
301.17960	1.8
311.16458	4.9
329.17377	2.5
401.33026	1.2
540.09875	1.2
540.29504	4.8
613.23584	1.3
702.34778	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	702.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55587	1.2
66.55438	1.3
66.55800	1.2
73.31956	1.4
79.05482	7.3
86.29195	1.3
87.81846	1.4
91.05476	37.2
92.05802	1.5
92.18579	1.6
93.07033	1.9
95.04906	2.0
105.07060	5.5
107.04948	65.0
107.05665	2.1
109.06524	2.4
109.10093	1.8
114.15102	1.6
117.06992	1.4
119.04923	7.6
119.08578	8.3
123.08065	2.3
129.35495	1.5
131.08563	6.4
133.10158	2.0
134.09645	33.5
135.09984	7.6
137.09581	1.9
143.08539	11.2
145.06595	1.7
145.10092	1.5
147.08058	3.2
149.05968	10.3
149.09651	2.0
150.08891	1.4
153.09120	5.1
155.08594	3.3
157.10118	7.5
159.08049	6.1
159.11694	3.1
161.09718	2.4
163.94536	1.4
164.10670	1.6
169.10167	3.3
171.08023	1.9
171.11671	2.4
173.09720	1.8
175.11192	1.4
177.09012	1.6
179.08511	1.6
181.10144	2.7
183.11687	2.9
184.32819	1.6
185.09572	1.9
194.11760	58.8
195.11702	7.6
197.09503	1.8
197.13226	2.7
199.11238	5.6
207.11708	1.6
208.12337	1.6
209.13145	2.8
210.11234	50.7
211.11499	3.2
211.93184	1.5
213.12810	2.0
214.53693	1.5
223.11275	1.5
236.12973	1.4
265.15875	2.0
311.16550	2.8
329.17505	2.4
375.77155	1.4
389.18924	1.5
540.09882	5.7
633.80182	1.7
642.30908	1.8
702.34662	100.0
733.25616	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	702.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30235	0.9
58.87011	1.0
65.16177	0.9
67.59312	1.0
81.07050	1.2
91.05481	96.7
95.08552	1.2
103.05484	1.9
104.71519	1.1
105.07051	5.4
107.04955	16.7
107.08570	1.9
109.06595	1.1
114.26710	1.2
119.04939	18.9
119.08565	2.2
129.06900	1.3
131.08557	2.7
133.10127	1.6
134.09665	28.1
135.08073	1.3
143.08589	5.7
145.10141	1.9
149.05988	1.6
149.09842	1.0
155.08591	2.0
157.10126	5.0
159.08179	1.5
169.10172	1.8
171.11691	4.8
173.13263	1.7
183.11713	6.0
184.35814	1.1
185.13191	1.8
187.11227	1.4
194.11775	14.4
195.11729	2.7
196.12419	1.3
197.13280	2.2
207.11807	2.7
209.13358	1.5
210.11256	80.0
211.14850	1.8
225.12823	1.3
229.12231	1.8
232.64752	1.4
249.16586	1.6
249.90446	1.3
267.17273	3.6
285.18585	1.4
313.18005	4.2
356.23889	1.2
361.33560	1.2
522.09210	1.4
540.10468	7.8
540.86267	1.1
642.32288	2.0
702.34766	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	702.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99802	5.4
71.99792	6.4
100.12605	6.6
103.08703	14.9
105.03385	31.9
105.06975	8.4
145.06560	7.0
169.10156	9.9
179.08611	7.5
181.10120	8.6
193.10179	10.3
194.10913	30.2
195.11684	25.3
209.13310	55.6
211.11133	13.2
219.11632	10.4
227.10510	9.8
237.12735	100.0
255.13820	25.4
277.15787	9.3
295.16983	14.3
297.14996	12.5
313.17938	8.3
315.15964	35.6
343.76514	6.3
357.17020	45.0
415.21252	7.3
475.23090	38.3
490.76358	6.8
517.24237	7.8
538.50873	8.2
607.95581	9.0
702.34546	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02780	0.3
81.07002	0.4
86.00391	0.4
91.05476	64.3
103.05450	1.5
105.07004	0.8
107.04958	0.6
107.08553	0.4
119.04928	13.2
130.63353	0.4
130.64345	0.3
131.08516	0.5
133.06477	0.7
134.09647	14.2
147.08037	0.5
155.08516	0.5
157.10139	0.4
157.22133	0.4
164.10727	0.6
165.06927	0.6
167.08510	1.9
169.10132	0.5
179.08472	2.0
180.09383	0.6
181.10046	1.3
183.11652	0.6
185.09564	0.6
192.09354	0.6
193.10167	1.3
194.10909	1.7
195.11699	0.8
207.07959	0.6
207.11697	0.8
208.08705	0.4
209.13235	5.8
210.11238	100.0
211.11015	1.3
219.11662	0.7
222.10321	2.2
237.12746	5.3
252.12343	3.2
255.13861	1.5
297.14844	0.8
364.64499	0.4
642.32288	0.6
702.34790	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	702.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97787	0.6
51.79299	0.5
65.99929	0.6
66.51645	0.5
72.89289	0.7
91.05479	73.1
103.05471	0.8
119.04939	16.0
119.08611	0.8
134.09656	29.6
135.07990	0.7
144.49738	0.7
147.04373	1.2
155.08495	0.9
165.06905	1.0
167.08522	1.5
171.07994	1.0
179.08521	2.7
181.10092	4.0
183.11702	3.1
192.09332	1.1
193.10257	1.2
194.10944	4.2
194.46086	0.7
195.11716	1.5
204.09224	1.0
207.11719	2.9
209.13255	8.7
210.11244	100.0
211.11137	1.5
219.11720	2.7
221.13176	0.8
222.10292	1.3
237.12726	7.7
239.10706	0.7
252.12288	4.0
295.16898	2.7
297.14703	1.2
315.15891	0.8
488.24493	1.5
506.25269	7.4
524.26251	9.8
540.29858	1.1
548.26294	5.4
566.27545	17.3
702.34808	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34954	0.9
55.05498	1.0
55.55658	0.9
61.47281	1.0
70.34476	0.9
73.45882	0.9
79.05483	5.3
81.07077	4.0
91.05464	7.6
93.07038	5.0
95.04955	5.6
95.08575	4.3
96.98253	0.9
97.06519	2.4
103.05465	18.9
105.07034	11.9
106.06561	27.4
107.04939	8.6
107.08597	7.8
109.06496	6.0
109.10161	4.2
117.07024	2.0
119.08567	8.7
119.23753	0.9
121.06472	4.4
121.10127	6.8
123.08045	6.5
123.58472	0.9
124.61121	0.9
129.07022	1.9
131.04922	100.0
131.08559	6.1
133.06453	2.0
133.10129	7.1
135.08032	2.1
137.09613	4.3
143.08546	6.3
145.06418	1.2
145.10104	7.1
147.07996	1.5
147.11676	2.1
148.07547	6.7
149.05978	1.8
151.07590	1.6
155.08591	4.9
157.10164	8.5
159.08110	2.0
159.11598	7.3
161.09555	4.4
161.49321	1.1
163.11177	1.6
166.08650	2.4
169.10149	4.4
171.07919	1.5
171.11667	6.2
173.09618	6.4
173.13211	1.3
175.11148	5.5
181.10089	5.5
183.11684	4.4
185.09612	1.7
185.13243	1.6
187.11214	1.5
190.08667	4.2
193.10039	1.9
195.11761	7.6
197.09541	1.4
197.13222	2.5
199.11189	2.2
199.14897	1.2
201.12808	1.0
206.10870	1.2
207.11690	1.8
208.12549	1.1
209.13248	6.4
210.11298	2.1
211.11183	1.9
211.14801	1.8
213.12665	1.8
215.14374	1.9
221.13289	1.8
223.11113	1.2
223.14890	1.5
225.12740	1.4
225.16293	2.2
236.15654	1.3
237.12770	1.9
237.16199	1.2
239.14241	1.4
251.17899	5.2
253.16063	1.4
261.16379	2.0
267.17587	1.4
269.19009	5.2
279.17401	9.0
297.18417	12.6
315.19540	4.4
339.19141	1.3
357.20520	5.7
375.21567	2.3
445.23660	2.4
505.25314	1.2
522.28558	9.1
564.29620	1.1
582.30774	18.0
600.31622	5.2
642.32684	30.1
702.34448	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	702.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30339	0.8
65.03965	1.0
75.10572	0.7
77.06623	0.8
79.05497	0.7
86.11435	0.8
91.05476	79.5
103.05457	2.0
105.07038	1.7
119.04947	17.2
119.08615	1.8
133.06451	1.6
134.09650	26.9
137.05943	1.1
140.24055	1.0
165.07013	1.2
167.08572	1.8
179.08543	3.5
181.10098	2.2
183.11642	1.6
193.10150	1.0
194.10876	1.8
195.11761	1.8
207.11595	1.6
209.13245	7.5
210.11244	100.0
211.11191	2.1
219.11685	1.5
221.13237	1.5
222.10358	1.5
234.14087	1.4
237.12723	7.6
244.12337	1.8
252.12285	3.9
267.17502	1.7
297.14819	1.9
488.24542	1.1
506.25296	1.7
524.25989	1.3
525.80841	1.1
535.61707	1.1
548.26447	5.6
566.27594	16.1
621.39063	1.1
702.34918	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	702.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27195	0.6
60.08177	5.4
71.07366	1.2
86.09192	1.0
86.09706	29.8
94.30569	0.8
98.51215	0.7
104.10736	1.5
124.99998	14.2
127.14114	0.7
184.07335	100.0
702.46851	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51605	0.5
53.32718	0.5
55.52794	0.5
77.78421	0.7
154.17940	0.7
363.10458	17.2
527.15491	1.3
667.18152	0.7
703.22058	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	703.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74171	0.6
68.04710	0.7
72.92258	0.6
119.82496	0.6
121.63901	0.7
146.63922	0.7
202.65343	0.8
220.10486	1.1
363.10489	100.0
499.24237	0.7
557.65411	0.8
593.67047	0.8
720.03821	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	703.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07309	1.8
65.07941	1.9
66.87991	2.0
70.18611	1.8
70.92883	1.9
75.51156	2.0
81.07059	1.9
85.22560	1.9
93.07045	4.5
95.08608	2.7
104.59812	1.8
105.07011	15.4
107.08578	2.7
108.08737	2.4
119.08570	10.1
121.10155	3.6
129.06989	2.1
131.08592	4.6
133.10132	13.1
135.08012	3.0
143.08537	8.7
145.10095	9.6
155.08559	4.6
157.10120	4.3
158.24557	2.1
159.08180	3.4
167.08594	2.7
169.10100	4.0
173.09650	3.9
181.10141	4.6
183.11610	3.9
193.10199	3.4
194.10907	2.4
195.11670	13.1
197.13258	8.4
205.10065	2.8
206.10999	8.1
207.11732	8.9
209.13202	18.6
211.11214	2.3
211.14806	2.7
218.10889	2.4
219.11671	14.3
220.12360	2.5
221.13255	10.5
223.14827	3.6
231.11688	28.5
232.12526	4.7
233.13362	4.9
235.14816	4.5
236.11946	2.3
237.12694	9.1
237.16359	5.3
245.12991	2.5
246.14040	37.9
246.16321	3.7
251.17848	16.5
257.44333	2.1
261.16345	56.6
264.15106	2.6
279.17419	29.0
296.31320	2.6
297.18619	4.1
321.18536	10.3
381.20691	3.9
399.21564	2.9
459.23007	2.4
505.76047	2.4
550.99591	2.2
583.25128	30.0
643.16479	3.3
643.27203	100.0
703.29297	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	703.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61584	2.4
57.14017	2.6
59.16602	2.6
95.08628	3.9
99.08079	23.9
109.10131	6.5
137.05981	51.9
153.05563	5.5
163.07553	4.0
173.05934	3.7
175.07425	3.2
182.64238	2.9
187.07486	12.8
211.11314	3.5
227.10551	12.8
228.11433	14.3
229.12239	16.2
253.12297	17.0
254.13037	4.1
264.32169	3.8
295.16934	4.4
296.17722	5.8
313.10672	4.8
355.53281	3.2
661.97363	4.0
685.30145	31.0
703.31006	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	703.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74748	0.6
55.03593	0.7
59.21986	0.7
71.20992	0.6
75.84068	0.7
122.01443	0.7
176.69099	0.7
203.05312	2.7
259.08005	1.0
270.60388	0.9
302.77975	0.7
306.49512	0.7
347.09525	3.6
365.10538	7.1
421.13269	1.5
541.33398	34.2
703.38721	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	703.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03516	0.9
55.05502	1.5
61.02917	2.8
62.70960	1.3
64.05138	1.2
67.05502	2.4
69.03434	2.3
69.07063	1.7
73.02903	2.8
76.22440	1.1
79.05492	7.1
81.03387	1.9
81.07056	5.6
83.08604	1.6
85.02901	7.4
90.86781	1.2
91.03961	5.3
91.05477	1.9
93.07038	6.2
95.08579	2.7
97.02882	4.4
102.14126	1.2
105.07036	1.4
107.08636	1.6
109.10152	1.3
119.08559	2.1
121.10120	2.8
127.03917	1.6
145.19310	1.3
149.13216	1.5
151.67572	1.4
243.08372	2.4
249.59866	1.4
258.62482	1.3
304.52127	1.3
319.48227	1.6
410.54828	1.4
453.21133	5.8
491.26083	7.9
703.40204	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	703.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01123	1.2
73.72517	1.4
73.72932	1.3
88.41074	1.5
91.05459	2.2
101.95941	1.6
119.04922	8.1
120.85188	1.7
142.79469	1.5
147.04402	100.0
214.98532	1.6
251.19786	2.6
271.22165	2.1
299.15036	1.5
379.00940	2.0
417.26224	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	704.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62447	0.6
53.03951	3.2
53.80718	0.6
64.34775	0.7
77.03910	1.7
79.05495	1.2
91.05473	1.7
95.04963	11.3
95.11523	0.8
97.06482	1.6
105.03393	100.0
105.04525	4.5
105.07030	2.0
109.06523	6.0
113.06020	1.3
123.04436	2.1
125.05988	3.9
129.06929	1.4
133.06499	1.0
137.06006	1.1
138.60811	1.0
139.07544	1.2
143.08536	1.7
145.06479	4.3
155.08589	3.0
159.08011	0.9
161.05983	1.8
167.08549	1.4
171.08049	1.1
175.07468	1.2
181.08635	1.4
181.10095	3.0
183.08060	3.5
185.09636	1.4
188.01073	0.8
193.10115	3.2
195.08078	1.3
195.11691	4.7
197.09665	1.6
199.07437	1.1
201.09154	1.1
204.09343	1.3
207.11702	3.5
209.09668	2.0
209.13286	3.5
211.07523	1.4
211.11150	1.2
213.09212	1.3
219.11751	3.1
220.75385	0.8
221.09634	1.9
223.11206	6.8
225.09096	1.7
225.12756	1.4
235.11163	5.2
237.12715	6.9
239.10674	1.7
241.12256	1.9
247.11143	1.1
251.14250	1.6
253.12267	3.5
261.12766	1.7
265.12134	7.1
267.13916	1.2
279.13843	3.4
283.13379	5.7
289.12106	1.3
295.13333	2.0
297.14755	1.1
307.13416	6.6
313.14252	8.2
325.14365	17.0
343.15347	4.1
355.15421	1.3
367.15491	5.3
385.16348	10.0
403.44290	0.9
427.17416	4.1
445.18588	18.4
447.17923	3.5
487.19818	1.5
507.20346	5.9
549.20807	14.6
567.22211	2.1
601.71790	0.8
609.23309	10.3
669.25464	10.7
704.29095	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	704.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23133	1.1
60.11214	1.0
74.73577	1.2
76.10276	1.2
79.05486	7.0
95.04927	4.5
105.03393	31.7
105.07037	5.7
107.04951	100.0
109.06498	5.4
116.07201	1.2
120.08159	4.2
121.06515	1.6
131.23985	1.2
133.06479	2.8
147.08076	4.7
147.11829	1.3
149.05984	22.6
150.01894	1.2
150.49396	1.3
159.08060	2.2
180.10184	95.5
193.10120	1.4
205.08589	6.7
211.11130	2.0
239.10664	1.3
245.20692	1.5
297.14911	1.2
343.15393	6.4
474.76321	1.4
525.21295	15.9
527.06696	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	704.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59558	1.2
69.51568	1.1
74.72009	1.0
77.85753	1.2
79.05499	6.3
91.05459	6.1
105.03391	6.1
105.07050	1.5
107.04956	100.0
119.04900	1.8
134.09648	7.0
147.04378	2.3
149.05969	21.2
155.08562	1.1
166.07788	1.2
183.11720	1.3
194.11769	96.2
210.11279	1.9
211.11435	1.3
220.72876	1.1
225.12746	1.6
423.02551	1.5
704.34302	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.343
Annotation	Unknow
Peak:m/z	Relative Intensity
76.96801	1.1
79.05501	9.1
81.07036	1.6
83.36945	1.0
91.05461	7.2
93.07055	2.6
95.08607	1.0
105.03398	12.4
105.07024	4.9
106.06535	9.5
107.04951	83.8
109.06544	2.2
117.07005	1.5
119.08560	2.1
125.26688	1.1
129.06967	2.6
131.04944	13.5
131.08546	2.0
138.40919	1.0
140.31720	1.1
142.07751	1.1
143.08539	5.9
145.23958	1.2
149.05972	33.8
155.08519	2.2
165.07022	2.0
166.08640	27.2
167.08548	2.6
169.10118	5.7
179.08548	25.9
180.07855	1.2
180.09352	6.4
181.10115	2.7
183.11667	6.0
191.08560	13.2
192.09351	9.0
193.10133	17.6
195.11728	6.1
197.09521	1.5
205.10139	4.5
206.10898	52.3
209.13318	2.4
211.14793	12.7
219.11559	1.4
220.12494	1.3
221.13243	100.0
223.15088	1.4
239.14294	26.9
281.15417	9.9
299.16214	3.3
341.17566	5.2
369.18344	1.5
446.23224	25.8
506.25351	34.0
589.99341	1.2
628.29199	13.4
704.31116	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	704.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56825	0.9
55.05502	1.1
60.04530	1.1
67.04893	1.2
79.05099	1.2
79.05491	10.1
91.05512	1.7
93.07039	4.8
101.92082	1.4
105.03365	2.3
105.07021	2.9
106.06569	10.1
107.04958	79.5
107.05701	2.6
109.06498	2.9
119.08575	1.8
129.06999	2.2
131.04922	12.9
131.08591	1.4
143.08566	2.3
146.27122	1.4
149.05983	27.7
155.08549	2.1
157.10184	2.1
159.08086	1.2
160.06009	1.2
165.07042	2.8
166.08644	26.1
167.08586	1.7
169.10104	5.4
178.07751	2.5
179.08577	17.5
180.09352	2.8
183.11713	7.7
191.08578	11.3
192.09299	10.2
193.10110	19.3
195.11656	5.9
205.10078	4.3
205.68102	1.4
206.10904	51.7
209.13470	1.3
211.14766	11.0
221.13245	100.0
237.12694	1.9
239.14313	29.1
279.17520	1.7
281.15344	11.8
299.16373	2.7
321.86017	1.2
341.17520	4.8
446.23285	24.3
464.24744	1.5
506.25403	29.4
582.30438	1.5
628.29449	9.1
649.54968	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	704.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93670	1.2
51.59032	1.2
55.05511	1.3
74.37842	1.3
79.05488	8.5
85.46002	1.6
91.05462	7.2
105.03391	7.1
105.07088	2.1
106.06554	8.2
107.04950	81.9
109.06507	1.9
114.05170	1.4
129.06985	2.0
131.04942	12.2
143.08563	6.2
147.08049	1.9
149.05986	24.9
165.06940	6.5
166.08630	30.9
167.08516	1.6
169.10043	2.8
177.52835	1.7
178.07805	1.6
179.08540	21.0
180.09375	7.2
181.10072	1.7
183.11705	3.3
191.08575	10.7
192.09337	10.9
193.10161	12.8
195.11752	6.7
197.09622	2.4
205.10013	3.0
206.10904	51.4
210.11098	1.8
211.14792	7.8
219.11729	2.0
221.13242	100.0
239.14328	24.6
281.15274	13.1
299.16440	2.0
341.17230	2.6
446.23459	20.9
504.83264	1.7
506.25290	26.9
628.29071	9.9
704.29706	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	704.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58607	1.7
55.05507	3.2
67.05510	38.5
69.07052	2.6
71.04977	12.0
77.34239	2.0
79.05499	27.4
79.41296	2.1
81.03418	3.9
81.07051	44.8
83.04971	4.1
83.08604	3.9
85.06535	4.4
89.17429	1.8
90.66600	1.7
91.05485	21.1
92.18452	2.5
93.07039	35.9
95.04933	9.3
95.08598	19.0
97.06515	3.6
97.10150	1.9
105.03381	6.9
105.07034	19.4
107.05009	2.2
107.08566	12.6
109.10165	4.0
117.06976	7.2
119.08562	9.9
121.06522	2.3
121.10104	3.0
123.11711	8.2
129.06987	4.6
131.08554	2.3
133.10132	18.1
145.10143	4.1
147.11679	23.4
149.13251	3.8
151.11148	2.4
159.11664	3.5
161.13235	8.5
171.11636	15.0
189.12762	4.1
195.13707	2.5
199.23697	2.1
207.13777	4.5
269.17746	2.3
281.17401	7.9
370.52914	2.1
449.28824	22.6
475.30511	100.0
507.32889	15.5
651.37958	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	705.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88063	2.5
69.03425	11.1
71.01344	14.6
74.35466	2.4
79.05502	3.2
81.07066	2.8
85.02893	17.1
91.05473	10.0
93.07053	6.0
95.04926	13.0
95.08602	3.4
97.02893	3.9
105.03392	100.0
105.07005	3.0
119.04893	3.9
119.08571	15.7
121.06528	4.8
121.10100	7.0
133.06487	4.4
133.10149	3.4
135.08086	2.7
137.06017	4.5
143.08582	5.3
147.04379	3.4
147.08049	21.4
149.06004	5.9
149.09589	5.5
155.08559	3.6
159.08058	11.5
165.09090	3.8
168.09369	3.5
169.10110	11.1
179.08549	4.4
181.10147	7.0
183.11708	20.7
185.09547	5.0
193.10161	9.8
194.11041	3.0
195.08148	4.6
195.11748	9.7
197.09607	5.3
201.08952	3.5
206.10883	3.2
209.09613	5.7
209.13152	3.9
211.11108	21.1
213.09135	12.1
215.06886	3.3
215.10660	3.0
220.12502	6.2
221.09566	3.6
223.11275	6.0
223.14886	11.0
225.09163	3.0
225.12660	5.7
225.16534	3.6
227.10576	2.6
227.14320	3.5
233.13266	5.6
235.14743	9.8
236.12006	3.2
237.09032	4.9
237.12831	6.2
239.10712	11.3
241.08496	6.9
251.14301	17.9
253.15729	12.2
255.13815	6.2
257.11789	3.4
261.12784	4.5
269.15302	11.4
279.13821	18.6
281.15369	4.8
287.09186	22.1
297.14758	21.8
299.16367	16.2
307.13327	17.5
315.15820	3.7
325.14359	94.0
333.50595	3.0
343.15469	36.5
361.16327	5.4
385.16638	10.6
403.17212	3.4
427.21838	3.2
465.19116	72.6
496.19110	3.0
525.21490	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	705.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95401	4.1
67.05499	4.3
69.65843	3.4
78.13932	4.2
79.05456	7.1
81.07059	7.3
83.04992	4.2
91.05502	8.4
93.07047	4.7
104.31686	4.0
105.07034	6.7
107.08566	4.4
109.10154	4.5
119.08559	19.8
131.04898	21.9
133.10126	7.1
141.79185	3.6
143.08565	9.3
145.10213	5.0
147.07991	4.8
155.08525	4.6
157.10085	5.1
159.08049	4.7
169.09950	6.6
171.11725	8.2
182.11017	6.2
183.11711	7.3
197.13268	16.4
207.11758	6.7
218.20715	4.2
234.14043	5.2
249.16249	5.7
297.12381	4.0
317.15082	5.4
377.17245	20.3
483.21402	66.2
497.35629	4.2
509.14972	5.4
525.22504	43.4
525.29675	5.9
543.23517	47.3
585.24438	100.0
645.26434	91.2
705.28827	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01380	0.8
55.04771	0.6
64.18773	0.7
65.59731	0.8
76.84905	0.8
123.04413	6.2
135.04431	1.2
139.03897	100.0
145.43901	0.7
147.04375	1.1
151.03906	4.8
163.03903	10.3
165.05424	0.8
165.85136	0.9
175.03926	1.0
179.03358	2.8
202.73805	0.9
213.05505	1.2
229.04942	1.1
237.05339	0.9
241.05048	0.9
245.04404	1.2
255.06438	4.4
269.04379	1.3
273.07230	1.1
274.06122	0.8
283.05954	15.9
287.05539	3.4
291.08698	5.2
299.05392	4.3
301.07068	14.0
303.08856	1.4
342.70728	0.9
384.76443	0.8
421.09393	1.7
439.10205	6.2
591.14984	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	706.358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98405	0.5
68.17286	0.7
77.93446	0.5
79.05505	6.0
95.04993	0.7
105.03378	2.5
105.06997	0.8
107.04955	78.0
109.06541	0.6
134.09662	5.7
147.43764	0.6
149.05969	17.9
167.08517	0.6
181.10005	0.6
183.11703	1.0
194.11765	100.0
236.12831	2.9
239.90137	0.6
244.12517	1.1
249.16504	0.6
448.24908	8.1
474.76886	0.6
555.23907	0.7
570.28033	0.9
706.35773	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	706.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99338	0.6
58.03538	0.6
61.45747	0.6
72.04527	0.6
76.39499	0.6
79.05481	5.3
86.85411	0.7
91.29096	0.6
95.04954	0.9
105.03385	3.9
105.07045	0.8
107.04953	70.9
123.49980	0.7
134.09654	6.2
134.62645	0.6
145.88448	0.7
149.05968	16.5
171.11766	0.8
183.11636	0.8
194.11761	100.0
203.67174	0.8
209.13307	1.4
235.09024	0.8
236.12744	5.8
430.24002	1.1
448.25101	1.3
570.28381	4.0
579.63800	0.8
706.35852	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	706.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40672	0.6
53.03952	0.6
56.74580	0.5
63.21826	0.5
65.64489	0.5
79.05488	5.3
91.05491	0.8
105.03372	4.1
105.07009	0.7
107.04947	70.3
112.31174	0.6
134.09656	5.5
149.05963	16.8
153.05409	1.4
179.08612	0.8
194.11751	100.0
209.13251	1.2
236.12836	5.6
407.24155	0.8
448.24603	0.9
570.29132	2.1
706.35907	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	707.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90656	0.9
69.39400	0.9
72.93781	1.3
78.86255	1.0
81.03411	4.8
83.12891	0.8
84.08130	1.3
99.04456	2.2
109.02876	8.8
119.04939	4.5
119.78426	1.1
132.95828	1.3
147.04407	100.0
148.04703	1.0
158.97418	3.7
165.05487	1.8
170.97437	2.0
174.96942	1.4
178.97919	1.0
188.98477	5.2
192.99551	2.1
195.24947	0.9
198.96866	2.0
202.97917	5.4
212.25281	1.1
216.97812	1.1
218.97391	32.0
220.98999	4.8
234.98878	2.3
236.98445	22.3
246.96811	1.7
251.00116	2.1
252.99945	7.5
256.99033	1.2
259.00687	1.1
259.97681	4.8
260.98431	45.5
264.98096	1.1
272.98502	8.5
275.00000	4.9
278.99475	8.1
285.99207	1.3
286.99997	14.9
289.93851	1.0
293.01550	1.0
298.99780	1.4
300.97980	6.0
302.99484	14.2
309.09708	13.5
315.07751	1.1
321.02158	1.3
326.99609	1.5
345.00482	1.4
363.01678	11.6
381.02640	71.5
381.92416	1.2
399.03854	1.9
503.86401	1.0
509.05649	1.1
527.06085	7.9
545.07159	3.8
621.47937	1.0
671.11169	1.2
689.11517	11.0
707.12500	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40361	0.3
54.38291	0.2
65.24025	0.3
73.74668	0.3
82.99849	0.5
86.74724	0.3
101.00876	0.4
119.01885	0.6
127.79465	0.3
131.80786	0.3
143.01883	8.8
145.03453	0.7
147.98283	0.4
152.02406	0.4
155.01874	6.4
161.02954	3.9
167.01900	4.0
169.03453	0.6
173.02936	6.6
179.01851	1.5
185.02934	11.9
186.71666	0.3
187.04480	1.7
197.02965	4.8
199.04527	0.4
203.03752	4.0
203.05603	0.6
209.03181	0.4
215.03973	4.8
227.03987	6.7
239.03975	0.4
245.05043	100.0
257.04990	6.0
263.06100	8.8
275.06049	8.3
293.07104	2.2
305.07169	8.3
319.78302	0.3
335.08188	1.3
365.09335	15.1
425.11362	24.4
437.11426	1.8
455.12567	5.1
467.12424	0.4
470.41684	0.3
485.13562	5.2
488.34561	0.4
527.14807	2.5
530.53680	0.4
545.15411	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	707.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69277	0.5
53.03264	0.7
56.12453	0.6
68.05036	0.6
81.40582	0.6
82.41189	0.7
85.02923	0.9
102.38670	0.7
118.17694	0.7
119.01903	1.0
143.01909	9.0
145.03444	1.0
149.57539	0.8
155.01915	4.4
161.02968	4.6
167.01900	3.9
173.02979	4.5
185.02925	10.6
185.04369	0.9
187.04663	0.8
197.02895	6.0
203.03891	1.6
203.05515	1.3
215.03944	3.1
227.04059	5.1
245.05052	100.0
257.05029	5.0
263.06049	8.9
275.06152	8.6
293.07050	1.6
305.07184	7.6
337.13260	0.9
365.09537	14.9
425.11368	26.5
426.36835	0.7
455.12430	6.1
462.22379	0.9
485.13467	4.0
527.14893	1.0
545.16217	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	707.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55356	0.6
67.03122	0.6
67.05488	0.7
68.80142	0.7
79.05501	1.2
81.07018	1.2
91.05413	0.9
93.07038	1.2
95.04981	1.2
95.08610	1.0
103.05470	19.8
105.07017	3.7
107.04926	1.5
107.08597	1.0
111.04437	1.6
117.07031	0.7
121.10124	1.1
123.08084	0.9
129.65736	0.8
131.04927	100.0
133.10115	1.6
135.08044	1.0
137.09637	2.6
143.08672	0.9
145.10141	1.3
147.08133	1.3
149.09616	1.5
151.11250	0.8
153.05461	1.5
157.10123	1.6
159.08058	1.1
159.11667	1.1
161.09660	1.2
163.11247	1.0
167.08559	1.1
171.07953	0.8
173.09706	1.0
181.10034	1.2
183.11604	1.1
185.09659	0.9
192.09293	0.8
195.11726	1.0
197.09746	0.8
197.13280	1.4
207.11760	1.3
209.13284	0.9
211.11327	1.0
213.12804	0.8
215.10710	0.8
219.11736	1.0
221.13277	1.0
223.11191	0.7
228.72098	0.7
235.11205	1.2
235.14798	1.4
237.12662	0.9
241.12080	0.8
244.12624	1.1
247.11281	1.0
249.16396	3.6
253.12338	0.7
253.15816	0.8
259.14819	1.1
262.13489	1.6
267.05933	0.7
267.17444	3.9
275.32629	0.7
277.15985	8.2
295.16901	12.8
313.17935	11.7
336.09952	0.8
337.18045	1.2
355.19025	14.1
373.19931	4.0
397.20114	1.1
443.22076	5.1
503.24258	8.4
545.25195	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	708.301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29964	0.5
70.11316	0.5
73.47051	0.5
83.49100	0.6
91.05476	100.0
93.07048	0.8
95.04960	2.6
103.05442	1.1
105.03399	12.0
105.04475	0.7
105.07018	3.8
106.06561	1.3
107.04834	0.6
107.08612	0.8
109.06525	0.6
119.04157	1.1
119.04933	14.2
121.06467	1.2
123.04327	0.7
131.04933	0.6
133.06467	0.8
133.10066	0.7
143.08530	1.1
147.04375	1.2
159.07899	0.7
161.09604	0.8
165.05444	3.2
165.06781	0.6
169.10126	1.3
171.11678	1.1
176.58975	0.6
181.10114	0.9
182.08116	56.0
183.11568	1.4
193.10173	0.8
195.11673	1.1
199.11192	1.4
206.10912	1.0
211.11179	0.8
221.13283	1.0
223.11191	1.1
224.11977	0.7
235.14793	0.7
237.12723	0.9
239.14168	0.8
253.15689	0.9
263.14261	2.2
281.15295	3.1
287.12668	0.7
309.14941	2.8
327.15927	3.3
375.18481	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	708.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56150	0.5
53.03950	0.6
53.68344	0.4
53.69757	0.5
55.66876	0.4
60.30473	0.5
61.51741	0.5
61.68840	0.5
69.03423	0.6
79.05474	1.0
85.70951	0.5
91.05476	100.0
93.07013	2.2
95.04967	0.8
103.05433	1.3
105.03392	12.8
105.07010	2.9
106.06512	2.2
108.58425	0.6
119.04939	13.8
119.08570	0.6
121.06484	1.4
121.10143	1.0
133.06479	1.1
133.10135	1.3
137.47255	0.6
143.08586	0.8
145.06435	0.9
145.10153	1.0
149.09567	0.7
155.08446	0.7
157.10075	1.2
159.07994	0.8
165.05464	3.8
165.06778	0.6
169.10110	3.1
171.11725	0.9
173.09671	0.9
181.10181	0.8
182.08109	61.9
183.11646	1.0
185.09627	0.6
193.10191	1.3
195.11693	0.6
197.09647	0.8
198.10497	0.8
199.11232	0.9
206.10872	0.9
209.13112	0.7
211.11206	0.8
211.14728	0.6
213.12904	0.7
225.12720	1.1
235.14862	1.2
237.12668	0.6
249.12796	0.6
253.15839	0.6
259.13290	0.8
263.14297	2.6
266.13202	0.6
267.13766	0.6
269.15277	0.6
281.15274	0.6
283.88739	0.5
299.16534	0.6
309.14825	3.0
320.09540	0.6
327.15903	3.7
393.46646	0.7
441.16376	0.6
509.21692	1.1
511.71936	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	708.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05503	0.3
55.05968	0.1
55.89198	0.2
60.13093	0.2
62.64989	0.1
65.03922	0.2
67.05488	1.1
69.03416	0.9
69.07040	0.9
72.04491	0.8
74.09875	0.2
78.85117	0.2
79.05496	1.3
81.07050	0.9
82.62632	0.2
83.01338	0.2
83.04980	1.4
83.08645	0.3
84.95337	0.2
91.05473	6.6
93.07059	1.5
95.04971	1.4
95.08593	1.3
97.06470	1.3
97.10165	0.5
105.07026	4.0
107.04940	0.8
107.08591	4.6
107.09288	0.3
109.06508	1.0
109.10167	0.9
111.04430	0.4
111.08064	0.3
115.05439	0.4
117.07017	1.4
118.06520	0.4
119.04935	21.3
119.08564	5.7
121.06492	1.5
121.10136	1.5
123.08058	0.9
125.05968	0.2
128.06216	0.4
129.07001	0.9
131.08551	2.4
133.06493	2.3
133.10123	2.5
134.09648	100.0
135.04329	0.2
135.08051	5.3
135.11659	0.2
137.05978	0.4
137.09616	3.3
141.07016	0.9
142.07742	0.2
143.08527	2.2
144.09283	0.2
145.06465	0.9
145.10114	1.9
147.04398	30.6
147.08031	2.2
147.11649	0.4
148.11200	0.7
149.05815	0.2
149.09612	4.8
151.11166	1.2
155.08559	1.6
156.09349	0.7
157.10100	2.2
159.08061	2.6
159.11751	1.8
161.05914	0.4
161.09589	2.1
163.07567	1.4
163.11169	0.4
165.05464	0.9
165.06895	0.3
165.09120	0.4
167.08600	0.3
169.10109	1.6
171.08072	0.9
171.11664	2.4
172.08841	0.4
173.09625	2.3
173.13301	0.4
175.07524	1.2
175.11201	1.1
177.09129	1.8
177.12721	1.1
178.07697	0.3
179.08597	0.8
179.10716	0.2
181.10062	1.9
183.11681	1.9
184.08928	0.3
185.09628	1.5
185.13240	0.2
187.11137	3.0
189.05438	2.8
189.09149	0.9
189.12769	0.8
191.10640	0.3
192.09300	0.4
193.10178	1.2
194.10893	0.3
195.11650	1.5
197.09624	1.0
197.13208	1.4
199.11151	2.3
201.09103	0.4
201.12778	1.0
203.10628	0.7
205.08546	0.4
205.10475	0.3
205.12151	1.8
206.10890	0.9
207.06519	1.1
207.11720	1.5
209.09579	0.3
209.13251	1.1
210.11089	0.2
211.11218	1.9
211.14796	0.9
213.12794	1.2
215.10698	0.7
217.12210	1.9
219.11763	1.2
220.12469	1.1
221.09578	0.4
221.13322	0.9
222.10338	0.3
223.11255	0.4
223.14746	0.3
224.11974	0.4
225.09113	0.2
225.12685	1.6
225.16414	0.8
227.10641	0.3
227.14172	0.3
229.10167	0.4
229.12256	0.2
231.13715	0.3
233.09711	0.2
234.14058	0.9
235.11182	0.4
235.14777	0.8
237.12775	0.4
239.14281	0.9
239.18033	0.8
244.12523	0.4
247.11116	0.9
247.13322	1.1
249.16347	1.8
251.14346	0.3
252.12283	18.6
252.14436	0.7
253.12022	0.3
253.15877	1.5
259.15021	0.3
262.13550	1.0
267.17426	3.3
277.15863	3.1
279.13831	0.2
285.18396	1.7
294.13336	0.3
295.16898	8.8
313.17905	5.9
337.18030	1.2
355.18939	5.9
355.23041	0.3
373.20081	0.3
397.20071	3.1
400.24765	0.4
415.21194	0.9
429.27448	0.2
457.22128	3.1
460.78043	0.2
505.02841	0.2
520.39795	0.2
648.31500	1.0
666.33026	1.3
690.01880	0.2
708.33734	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47805	0.5
55.05516	0.7
63.44253	0.6
67.05496	0.8
69.07068	1.0
72.04515	85.6
74.06058	2.7
79.05489	0.8
81.07059	2.4
83.04961	0.6
91.05479	11.0
93.07032	4.2
95.05009	0.6
95.08585	2.3
105.03333	1.0
105.07039	9.4
107.08588	5.4
109.10160	1.4
111.08112	0.6
117.07036	4.3
119.04939	18.8
119.08580	6.6
121.06493	1.0
121.10126	5.3
123.11706	0.8
129.07039	1.3
131.08557	4.7
133.06488	3.4
133.10129	4.6
134.09648	100.0
135.08067	10.9
135.11624	0.8
137.09618	3.1
139.67957	0.6
142.07785	0.9
143.08545	3.1
145.06477	0.7
145.10133	3.4
147.04398	28.4
147.08041	0.9
147.11650	1.1
149.09631	1.2
155.08551	2.1
157.10133	5.9
159.08075	0.9
159.11705	3.7
161.09679	1.1
167.08455	0.7
169.10127	3.4
169.61530	0.7
171.11713	3.5
173.09627	0.8
173.13159	0.6
175.11208	1.4
177.09094	3.2
180.09349	1.0
181.08626	1.0
181.10040	4.8
183.11697	7.8
185.09581	0.8
189.05501	2.4
192.10223	29.9
193.10146	5.6
195.11688	4.0
197.09639	0.7
197.13307	3.0
199.11237	2.3
204.09378	0.8
205.10110	1.3
206.10985	1.2
207.11690	9.0
208.12450	0.7
209.13306	3.1
211.11198	2.8
211.14963	1.7
219.11671	4.9
220.12514	0.8
221.13351	2.5
223.14856	1.0
225.12654	1.2
227.10640	0.9
231.11797	0.9
234.11263	6.4
234.14055	2.8
235.11131	0.9
239.17975	2.6
241.16090	0.7
247.11174	0.9
249.16350	12.7
250.10698	2.1
251.18051	2.7
252.12288	23.3
259.14859	0.9
265.10736	0.8
267.17413	15.9
269.19052	1.0
277.15942	3.3
279.17490	2.6
285.18491	3.6
295.16956	6.9
297.18463	2.8
309.18396	2.7
337.17932	3.0
355.19055	3.6
385.21567	0.6
442.22763	0.7
449.51227	0.6
457.22437	2.3
610.52216	0.6
630.03601	0.6
648.32019	1.0
708.33685	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.0
55.28862	0.9
57.09761	0.9
59.96874	0.9
69.07085	1.8
72.04514	91.8
74.06086	1.9
79.05492	1.3
81.07040	5.4
87.46770	0.9
91.05480	11.1
93.07048	4.0
95.08598	1.3
98.40555	1.0
105.07017	10.9
107.08588	6.8
109.06538	1.4
109.10181	1.5
117.07024	1.9
119.04935	16.4
119.08578	5.7
121.10132	5.5
123.08097	1.1
129.07013	1.1
131.08505	3.5
133.06474	4.8
133.10164	4.6
134.09648	100.0
135.08011	8.2
143.08585	4.7
145.10114	1.9
147.04417	29.5
147.11751	1.4
151.18120	1.0
155.08516	1.5
157.10155	5.1
159.11703	1.8
164.10754	1.3
169.10083	3.2
171.11670	2.2
177.09119	3.6
181.10124	5.6
183.11681	6.8
192.10211	31.0
193.10065	5.5
195.11717	4.8
197.13350	3.5
199.11140	1.8
207.11708	8.5
208.12433	1.3
209.09616	2.4
209.13216	1.9
211.11154	2.2
219.11736	5.8
220.12637	1.4
221.13228	1.9
221.87462	1.1
223.14749	2.1
225.12729	1.9
231.11688	1.6
233.13155	1.2
234.11243	4.6
234.13896	1.7
235.11169	4.3
239.17941	2.4
247.11053	1.0
249.16432	12.1
251.14465	1.5
251.17854	1.9
252.12267	20.5
267.17398	11.2
269.18967	1.5
277.15952	5.3
285.18481	5.0
295.17010	5.9
297.18674	2.0
327.19287	1.1
337.17950	4.0
355.19305	1.1
457.21930	1.8
633.91620	1.2
666.32190	1.1
708.33710	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
66.84216	1.4
69.03424	2.0
69.07064	1.9
72.04492	2.8
73.81600	1.5
77.03922	1.8
79.05475	11.2
83.08604	1.8
85.02912	10.4
88.07628	9.5
91.05463	3.5
93.06991	2.5
94.59435	1.4
95.04963	7.9
95.08590	2.3
97.06521	3.5
97.10134	3.0
103.65710	1.5
105.03423	1.6
105.07027	7.1
107.04947	63.5
107.08560	2.8
109.06500	3.2
117.06984	2.2
119.04948	9.9
119.08565	6.6
121.06499	2.6
123.08038	6.0
131.04900	3.3
131.08603	5.9
133.06483	8.0
133.10133	5.9
134.08621	3.0
134.09648	90.7
135.08058	6.8
137.09596	2.3
141.06949	2.3
145.06473	8.7
145.10075	2.7
147.04430	12.2
147.08044	9.6
149.05966	19.5
149.09663	2.1
153.09088	3.1
155.08630	1.6
157.10118	6.1
159.08057	11.6
159.11707	2.5
161.09636	2.9
169.10121	2.0
171.08022	5.4
171.11882	1.6
173.09613	1.7
175.07568	2.1
175.11139	3.6
181.10179	3.3
185.09608	11.3
187.07545	7.3
187.11235	1.6
192.10199	2.1
193.10106	3.1
194.11757	100.0
195.07980	1.9
195.11703	6.9
197.13258	2.0
199.11192	3.2
201.12781	1.7
206.11134	1.7
208.12466	1.7
209.09570	5.9
211.11198	7.6
213.09128	2.3
213.12543	1.6
223.11169	7.6
223.14760	3.5
224.12027	2.0
227.10806	2.0
227.14265	2.4
232.12418	5.5
235.11066	3.5
236.12468	3.6
237.12706	1.6
237.16438	3.0
241.12146	2.3
247.14819	2.5
250.13622	3.6
251.10713	2.7
251.14253	3.2
252.12292	8.8
253.12318	1.5
255.13782	1.7
255.17499	5.1
260.11795	2.2
265.15857	15.0
267.17532	1.7
269.15164	2.0
277.15915	1.8
283.16870	18.5
293.15344	27.3
295.16983	5.9
302.29489	1.9
311.16379	86.9
335.16370	2.4
337.18188	2.2
353.17493	45.5
355.02777	1.6
398.88675	1.5
504.27264	2.8
546.28577	9.9
606.30463	7.4
708.33765	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98932	0.2
55.01870	0.4
55.05503	0.3
55.62686	0.2
56.92248	0.2
65.03934	0.3
67.05490	0.4
69.03425	0.9
69.07058	0.5
71.04971	0.2
72.04510	0.4
79.05487	1.7
79.33441	0.2
81.07055	0.9
83.01324	0.2
83.04977	1.5
89.21729	0.2
91.05474	7.0
91.89503	0.2
93.07022	2.0
95.04933	0.8
95.08598	0.9
97.06511	1.8
97.10140	0.3
105.07033	3.8
107.04951	1.1
107.08594	4.8
109.06513	1.3
109.10136	0.7
111.04451	0.3
115.05434	0.3
117.07028	1.4
118.06497	0.2
119.04935	21.7
119.08584	5.0
121.06490	1.7
121.10134	1.3
123.08056	1.3
123.11665	0.2
128.06186	0.4
129.06990	1.0
131.08546	2.3
133.06488	1.9
133.10118	2.5
134.09648	100.0
135.04527	0.2
135.08054	5.5
137.09625	3.9
141.06989	0.3
142.07791	0.8
143.08574	2.5
145.06439	0.7
145.10146	1.7
147.04404	32.1
147.08063	2.2
147.11711	0.4
148.11186	0.4
149.09615	3.5
151.11203	1.1
154.07628	0.2
155.08557	1.5
156.09372	0.4
157.06468	0.2
157.10124	2.0
159.08031	2.2
159.11705	1.5
161.05991	0.9
161.09624	2.1
163.07573	1.0
163.11191	0.8
165.05460	0.7
165.09138	0.4
167.08568	0.4
168.09328	0.3
169.10045	2.3
171.08058	1.0
171.11644	1.9
172.08810	0.5
173.09584	2.1
173.13278	0.3
175.07523	1.0
175.11183	1.8
177.09178	1.7
177.12755	1.0
178.07758	0.4
179.08554	0.7
179.10670	0.3
181.10143	1.5
182.10901	0.3
183.08093	0.4
183.11674	1.7
185.09625	1.2
185.13246	0.7
186.26393	0.2
187.11147	1.9
189.05435	2.5
189.09055	1.5
189.12775	1.2
191.10678	0.3
192.09351	0.3
193.10132	1.9
194.10872	0.4
195.08124	0.2
195.11739	1.1
196.08914	0.3
196.12436	0.3
197.09653	1.3
197.13116	1.6
199.11180	2.1
201.09132	0.3
201.12762	1.3
203.10703	0.5
205.08609	1.0
205.10345	0.5
205.12155	1.7
207.06514	1.2
207.10138	0.2
207.11697	1.9
209.09593	0.8
209.13286	1.1
210.11292	0.4
211.11139	2.4
211.14853	0.9
213.12770	1.3
215.10767	0.4
215.14177	0.3
217.12187	1.8
219.11694	1.4
220.12515	1.0
221.09692	0.4
221.13277	1.2
222.10529	0.3
223.11131	0.4
223.14769	0.4
224.12016	0.3
225.12735	2.0
225.16293	0.3
227.14357	0.3
229.10133	0.3
229.12187	0.4
234.14055	1.5
235.11197	0.9
235.14697	0.4
237.12778	1.2
238.13527	0.3
239.14235	0.8
239.17874	0.4
241.12280	0.3
244.12354	0.3
247.11118	0.9
247.13235	0.4
248.12001	0.3
249.12703	0.2
249.16306	1.7
252.12296	17.9
253.12242	0.4
253.15939	0.9
259.14780	0.4
262.13513	1.4
267.17419	3.9
277.15833	2.7
280.14691	0.4
285.18558	1.5
295.16904	9.0
313.17932	6.5
337.17712	1.4
355.19028	6.4
355.23111	0.4
397.20096	3.0
400.24789	0.3
415.21039	0.4
448.25241	0.2
457.22122	2.7
467.36465	0.2
648.31793	0.9
666.32568	0.9
708.33728	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.8
69.07077	2.2
72.04509	3.7
79.05481	5.8
85.02898	9.9
88.07603	9.0
91.05489	2.5
95.04945	7.8
95.08612	3.1
97.06540	2.8
97.10139	1.8
105.07030	6.7
107.04953	73.0
107.08536	1.9
108.29864	1.6
119.04944	3.2
119.08565	6.7
121.10132	7.1
131.04935	2.2
131.08554	6.2
133.06471	8.0
133.10109	3.8
134.09639	32.8
135.08034	3.6
143.08553	2.9
145.06490	8.8
145.10094	2.8
147.04436	2.4
147.08040	3.8
149.05972	20.9
149.09473	2.0
153.09047	2.0
157.10121	7.5
159.08112	11.6
161.09668	6.0
163.07494	2.7
167.08549	1.5
171.08081	1.9
171.11635	1.7
173.05821	2.1
173.09601	2.2
175.07503	7.3
175.11116	7.0
181.10118	3.7
183.11768	2.8
185.09645	9.0
187.07520	6.9
187.11180	1.6
193.10129	2.3
194.11760	100.0
195.08063	2.1
195.11694	6.9
197.09671	1.7
201.12761	2.3
207.11746	2.2
209.09547	7.6
209.13283	3.2
211.11206	3.5
213.09055	2.4
213.12712	2.6
223.11179	7.5
223.14822	3.0
227.10655	2.9
228.74109	1.8
235.11069	3.0
236.12439	2.1
237.12688	2.3
237.16356	2.5
241.12311	2.5
247.14719	6.6
250.13435	2.5
251.10544	3.9
265.15839	19.5
267.17313	1.8
283.16934	20.6
293.15369	26.0
295.16788	2.1
311.16367	91.1
335.16254	2.7
353.17459	50.1
500.20697	1.6
504.27542	2.5
546.28668	11.9
606.30554	10.0
632.72113	2.0
708.33435	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	708.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64042	0.4
56.60567	0.3
61.17271	0.4
67.05489	0.4
69.03428	0.4
69.07050	0.5
79.05475	0.9
81.07048	0.7
83.04970	0.6
89.47317	0.4
91.05476	6.4
93.07034	1.7
95.04937	0.7
95.08603	1.9
97.06508	0.6
105.03403	1.9
105.07027	3.5
106.03741	0.7
107.08596	4.5
109.06527	0.7
111.04407	0.5
117.06940	1.0
119.04938	19.2
119.08586	5.2
121.06496	0.8
121.10135	2.2
123.08067	0.9
129.06982	1.0
131.08548	2.5
133.06516	2.2
133.10184	1.8
134.09651	100.0
135.08046	4.0
137.09595	3.1
143.08553	3.0
145.06467	0.8
145.10083	0.9
147.04405	30.3
147.05588	1.0
147.08107	2.1
148.58829	0.4
149.09598	4.7
151.11183	0.9
155.08562	0.8
156.09364	0.6
157.10170	2.5
159.08051	2.3
159.11685	1.7
161.05933	0.5
161.09648	2.7
163.07570	0.8
163.11185	0.7
165.05511	0.5
165.07095	0.5
166.07869	0.5
169.10130	1.7
171.08058	0.5
171.11684	2.6
173.09654	1.0
175.07613	0.6
175.11220	0.9
177.09203	1.6
179.08604	0.5
181.10153	1.7
183.11696	2.1
185.09709	0.7
185.13333	1.0
187.11224	2.2
189.05473	3.0
189.09064	1.0
189.12872	0.5
191.10657	0.6
193.10228	0.7
195.11658	0.8
197.09587	0.6
197.13322	1.7
199.11198	1.8
201.12778	1.0
203.10736	0.6
205.12233	1.6
207.06525	0.7
207.11743	0.9
209.13199	0.6
211.11163	1.8
213.12801	1.5
217.12270	2.0
219.11702	1.6
221.13287	0.5
224.11819	0.7
225.12830	1.0
233.13258	0.6
237.12802	0.5
239.17786	0.6
249.16367	2.0
252.12273	14.8
252.14784	0.7
253.15874	0.5
262.13565	0.9
267.17447	2.9
277.15903	2.7
285.18454	1.0
295.16928	7.8
313.18079	4.9
337.18008	1.7
355.18994	4.7
397.20145	3.1
400.24768	0.7
457.22250	2.8
648.31696	1.8
666.32544	1.6
708.21729	1.0
708.33624	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12366	0.4
71.74218	0.4
77.03936	0.4
90.09846	0.5
95.04973	0.8
98.03799	0.5
100.95161	0.4
105.03387	13.0
105.04490	0.4
105.06976	0.6
113.06027	0.7
131.08652	0.6
134.09657	0.8
143.08578	0.5
147.04378	0.5
147.08078	0.8
155.08496	0.5
160.07365	0.4
171.07990	0.6
181.10054	0.8
205.10262	0.5
207.11620	0.7
211.11203	0.5
223.11314	0.8
237.12694	0.5
239.10605	0.7
241.12354	0.5
255.13892	0.5
282.06833	0.5
288.46710	0.5
390.20770	0.5
434.14752	0.6
438.36270	0.5
471.67487	0.5
589.20660	0.9
649.22626	3.6
709.24603	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	709.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22757	0.4
61.73054	0.5
65.93515	0.6
85.60898	0.5
86.30190	0.5
90.09595	0.4
112.84530	0.5
118.06538	1.3
132.08052	2.6
144.08067	6.0
146.06006	35.1
153.61328	0.5
159.09167	4.5
170.05960	1.1
188.07059	100.0
189.07310	2.2
205.09721	34.0
206.10005	0.9
223.13710	0.5
298.65048	0.5
370.91534	0.5
412.47498	0.5
528.91608	0.5
578.50232	0.5
670.53845	0.7
723.26215	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	709.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90588	1.2
65.74296	1.3
69.07121	1.3
70.35442	1.2
71.73267	1.6
79.05515	1.4
91.05486	2.0
92.13207	1.4
93.07030	2.3
95.05000	1.4
95.08601	2.2
103.05463	28.9
105.07027	6.7
119.08583	2.9
131.04918	100.0
143.08575	6.7
149.09637	1.4
157.10147	1.8
167.08525	1.9
169.10005	2.2
171.11598	1.5
173.09654	1.5
173.13200	1.6
179.08568	2.1
181.10089	10.2
183.11710	2.7
193.10144	2.0
195.11684	7.4
207.11720	2.3
209.13309	9.8
211.14693	2.4
217.10178	1.7
219.11826	2.7
221.13315	3.0
223.11162	2.4
231.11644	13.6
232.12444	2.8
233.13220	1.6
235.14803	2.3
236.15524	2.4
237.12802	7.3
237.16412	1.7
239.14333	2.0
246.14026	19.0
251.18028	6.9
261.16367	31.0
279.17456	26.9
294.87820	1.4
297.18604	3.1
321.18542	2.9
339.19690	3.3
469.23886	1.6
487.24930	5.7
547.26575	6.8
607.29456	1.8
709.30640	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	710.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48230	1.4
53.12972	1.3
62.37542	1.3
80.00884	1.3
91.82648	1.3
95.04949	10.6
105.03389	100.0
105.04501	3.9
105.07021	6.3
117.06941	1.5
119.08551	1.9
127.50364	1.5
133.06485	5.9
133.10193	2.5
151.07530	8.5
153.65314	1.6
161.09648	2.2
169.10098	2.4
171.08118	1.9
181.10123	3.0
193.10048	1.8
195.11623	2.7
197.09601	7.5
198.10390	3.2
199.11156	22.9
207.11711	3.2
209.09738	2.1
211.11118	29.6
219.69508	1.9
221.13248	2.0
223.11136	5.6
223.14729	2.7
225.12732	14.8
227.10612	20.8
235.11197	1.9
249.12675	1.4
253.12181	9.6
263.14243	2.5
263.57986	1.5
265.15903	3.0
271.13403	3.0
275.14368	2.0
293.15341	6.0
311.16434	3.1
313.14340	38.8
373.16342	17.3
415.19019	3.4
433.19574	1.9
475.21097	1.6
582.86841	1.5
597.24701	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	710.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05454	3.3
95.04996	4.4
105.03394	100.0
105.07017	4.7
107.04919	14.6
107.50024	3.9
119.08577	3.5
121.06499	4.3
123.08190	3.1
134.09697	7.8
135.08034	4.1
145.10141	6.4
157.10022	6.2
169.10004	6.4
170.35588	3.8
173.09633	4.8
181.10130	6.0
185.09639	5.4
192.09384	4.9
193.10172	4.0
194.11765	6.0
195.11789	8.0
197.09607	4.5
199.11201	17.5
207.11792	12.6
209.09589	5.8
209.13326	3.8
211.11156	4.7
225.12656	11.4
227.10391	9.4
239.14249	4.6
241.12390	4.0
247.14816	3.9
253.12274	6.5
253.15756	3.7
265.15887	6.3
267.13809	4.3
271.13266	17.6
281.15216	3.7
283.16885	5.7
292.66336	3.3
293.15503	7.9
311.16382	20.5
329.17462	6.2
331.15421	15.0
368.99802	4.0
371.18784	4.1
484.93872	3.9
493.22342	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	710.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.05517	30.4
55.58491	2.4
67.05492	4.3
67.64169	3.1
67.87721	2.9
69.03429	3.7
72.04590	2.8
78.27355	2.4
79.05502	3.0
81.03436	3.0
81.07035	5.1
83.04987	50.6
91.05457	5.6
93.07035	14.9
94.62105	3.4
95.04983	28.1
95.08600	12.0
97.06531	3.8
105.03390	100.0
105.04494	4.3
105.07018	17.6
106.06554	21.7
107.04935	3.8
107.08585	15.2
109.10127	4.5
114.64557	2.8
117.06998	3.2
119.08554	22.1
121.06500	6.1
121.10192	4.4
123.08079	5.0
131.04926	23.4
131.08511	4.7
133.06496	18.0
133.10104	26.4
135.08049	27.3
141.06946	3.8
143.08536	12.8
145.06451	4.1
145.10129	13.7
147.11763	4.3
149.09552	4.3
151.07574	2.9
155.08549	6.4
157.10141	6.2
159.08049	5.5
159.11732	2.9
161.09584	15.0
163.11153	4.5
168.09502	3.0
169.10121	16.8
171.08003	3.6
171.11678	11.7
177.09135	5.4
179.08525	4.1
179.10620	2.8
181.10094	17.6
183.11626	22.0
185.09628	6.8
193.10147	14.8
194.11026	3.0
195.11710	13.9
197.09628	12.5
197.13268	6.6
199.11172	38.0
207.11713	14.8
208.12466	3.7
209.09598	6.2
209.13272	10.5
211.11145	42.0
211.14853	4.8
213.12645	4.7
223.11180	12.5
223.14694	9.9
225.12703	26.4
227.10670	44.0
235.11256	4.2
236.12038	3.3
237.12816	3.7
237.16405	5.0
239.14279	5.6
241.12372	4.2
247.14877	3.7
250.13820	3.6
251.97447	3.0
253.12196	21.7
263.14352	4.3
263.17899	4.7
265.15866	17.2
269.11710	6.1
269.15204	3.8
271.13300	13.7
275.14349	6.9
283.16827	5.8
293.15359	33.6
311.16245	21.2
313.14313	42.3
329.17554	4.9
343.60660	2.9
353.17343	12.8
371.18335	21.3
373.16495	16.9
413.19379	6.8
471.23770	4.2
471.58716	2.8
513.24750	5.4
531.25775	21.9
546.02625	3.0
573.27136	4.1
575.45099	3.7
650.36145	3.5
710.39148	59.1
731.71185	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	710.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19069	0.3
50.84719	0.3
51.25565	0.3
56.01310	0.3
57.06600	0.3
58.60860	0.3
67.85806	0.3
69.19254	0.3
72.04517	40.6
73.50586	0.3
79.05495	0.8
81.07069	0.4
86.59702	0.3
91.05478	1.9
93.07034	1.7
94.60699	0.3
95.08593	0.4
98.57631	0.3
103.05479	1.8
105.07026	1.7
107.04956	7.4
107.08591	1.8
117.06971	0.4
119.04955	0.7
119.08580	2.3
121.06456	0.8
121.10120	0.8
131.04926	8.4
131.08571	1.4
133.10114	0.8
134.09654	100.0
135.08044	2.5
143.08469	0.5
145.06549	0.4
145.10100	0.9
147.04408	1.4
149.05974	1.7
155.08546	0.4
157.10178	1.6
159.11697	0.7
161.09613	0.5
163.07628	0.4
169.10097	1.5
171.11734	0.7
173.09637	0.4
176.10704	9.9
177.09126	0.8
181.08629	0.6
181.10107	0.6
183.11681	3.5
187.11142	0.4
192.09366	0.5
193.10170	1.7
194.11803	11.3
195.11667	0.6
197.13229	0.8
199.11159	0.5
207.11717	2.2
209.13292	1.6
211.11180	0.8
211.14844	0.6
213.12885	0.4
221.13115	0.5
225.12724	0.8
234.14186	0.4
239.17883	1.5
249.16400	3.8
252.12357	0.9
267.17444	5.3
277.15878	0.7
285.18454	0.7
295.16989	1.5
313.18079	0.7
327.19559	0.5
343.47708	0.4
355.19043	0.6
400.24777	0.9
608.32117	0.8
620.00208	0.5
650.33344	3.7
710.35297	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	710.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04504	1.6
79.05479	7.3
91.05482	12.9
94.02064	1.1
95.08616	1.4
103.05473	1.5
105.07015	2.8
107.04958	95.1
107.08594	1.9
113.65855	1.2
119.04934	12.4
119.08584	4.8
119.40831	1.0
121.10154	2.0
131.04909	4.3
131.42583	1.0
133.06480	2.0
133.10123	2.0
134.09669	24.7
135.08037	4.9
137.09590	1.3
143.08577	6.5
145.10117	4.3
145.34363	1.2
147.04384	16.3
147.08110	1.8
149.05974	18.7
155.08543	2.3
156.09485	1.0
157.10106	1.4
159.08090	2.5
161.09668	1.4
169.10120	4.5
171.08061	1.4
171.11702	2.7
173.09570	1.4
173.82697	1.3
179.08510	1.2
181.10158	1.3
183.11734	2.3
193.10202	1.7
194.11771	85.9
195.11693	4.3
197.13246	2.1
206.10883	1.5
207.11597	3.4
209.13367	4.0
210.11234	9.2
211.14616	1.3
219.11761	1.6
220.12515	4.2
221.13274	2.2
223.11134	1.3
223.14722	1.2
225.12805	2.0
225.16344	1.4
226.03233	1.1
234.14067	1.5
235.14830	2.1
236.12923	1.5
239.17993	1.7
247.11037	1.1
249.16379	5.3
252.12274	13.2
253.15933	2.1
261.16425	4.6
266.82437	1.1
267.17401	4.8
277.15955	4.6
295.16870	12.0
313.18054	6.5
355.19138	5.1
415.20917	1.9
517.24677	1.4
650.32703	1.8
710.35272	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	710.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03991	0.3
54.80461	0.4
60.62546	0.5
63.92450	0.5
71.28175	0.4
72.04514	41.3
91.05460	1.0
93.07028	0.7
101.99965	0.4
105.07022	0.9
107.04943	3.5
107.08591	2.1
115.52261	0.5
119.04955	1.1
119.08565	0.8
128.08583	0.5
131.04919	2.8
134.09648	100.0
135.08086	2.7
145.10086	0.7
147.04384	0.9
157.10085	0.7
159.11676	0.7
170.31075	0.5
176.10703	10.4
183.11708	2.7
193.10107	0.8
194.11780	6.8
207.11713	0.9
209.13142	0.6
210.10654	0.5
221.13228	0.6
223.14807	0.6
239.51779	0.5
246.64835	0.5
249.16295	2.0
252.12314	0.9
265.10455	0.6
267.17535	3.7
285.18475	0.7
397.21292	0.6
482.61719	0.5
507.52377	0.5
604.68030	0.6
650.33051	3.3
710.35358	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	710.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51974	1.1
63.58748	1.2
72.04507	1.8
79.05491	8.0
91.05486	6.0
93.07032	1.4
94.71964	1.2
95.04981	1.9
103.05445	1.8
105.07045	2.8
107.04950	100.0
107.08564	1.4
111.08072	1.8
117.06985	1.7
119.04965	2.1
119.08578	5.8
121.10109	2.5
130.78236	1.5
131.04904	3.1
133.10161	2.5
134.09650	30.1
135.08040	5.7
135.09996	2.7
137.09543	1.5
143.08537	5.0
145.10097	2.9
147.04422	2.9
147.07982	1.8
149.05969	17.9
155.08591	1.7
159.07986	2.4
169.10197	6.0
171.08058	2.2
173.09476	1.4
180.09222	1.5
183.11717	2.1
187.11253	1.9
193.10196	4.9
194.11758	89.4
195.11726	2.7
197.13206	2.0
206.10854	1.5
207.11673	2.2
210.11192	2.3
211.14909	2.3
219.11871	1.9
221.13283	1.8
223.11188	1.3
225.12790	2.2
235.14813	1.7
239.17892	1.8
249.16443	2.7
253.16171	1.6
267.17465	2.9
277.15930	4.5
285.44144	1.4
295.16931	12.8
313.18030	5.1
355.19073	5.2
400.09375	1.4
478.30557	1.5
486.96906	1.2
517.24438	1.4
582.41364	1.5
645.00250	1.3
650.33551	1.9
710.35278	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19901	0.8
69.07030	1.1
72.04527	0.9
79.05492	8.4
91.05480	9.2
92.17784	1.7
93.07034	1.8
93.55401	0.9
95.04945	1.3
105.07045	5.5
107.04955	98.3
109.06528	1.7
119.04935	4.0
119.08589	6.7
121.06465	1.2
129.07085	1.1
131.04938	3.7
131.08574	2.1
133.06496	1.9
133.10152	1.8
134.09653	25.2
135.08058	3.7
137.09697	1.1
143.08586	5.5
145.06412	0.9
145.10120	4.3
147.04456	4.0
147.08078	1.7
147.11647	1.5
149.05966	22.5
149.09612	1.1
153.66017	0.9
155.08592	2.2
157.10152	3.6
159.08046	1.9
159.11682	1.2
161.09532	1.4
169.10146	3.9
171.08035	1.4
171.11696	1.8
173.09518	1.5
181.10229	2.1
183.11736	3.7
185.09721	1.5
193.10196	1.3
194.11765	94.8
194.32384	0.9
195.11729	1.3
197.09633	1.8
197.13286	1.1
197.84102	1.2
199.11217	3.9
206.10944	1.4
207.11758	5.6
208.12442	1.5
209.13293	1.6
210.11345	6.6
211.11290	1.7
211.14842	1.8
219.11877	2.2
220.12456	4.2
221.13277	1.3
225.12634	0.9
225.16418	1.9
233.13303	1.6
234.14091	1.6
235.14844	1.9
239.18062	1.7
246.13974	1.2
249.16403	4.1
252.12276	2.0
253.15839	1.8
261.16397	1.8
262.13519	1.3
267.17471	4.3
277.16006	4.1
295.16953	13.3
313.18048	5.6
337.18079	1.3
348.37396	0.9
355.19098	6.2
415.21066	1.5
454.02115	0.9
487.09949	1.0
650.33087	4.8
710.35291	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	710.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04138	1.2
72.04518	29.8
77.03920	0.7
77.61269	0.7
79.05511	7.9
79.05867	1.1
81.23602	0.8
88.07622	2.9
91.05447	1.5
93.07021	1.0
101.09035	0.7
105.07021	4.1
107.04953	78.6
119.04947	3.0
119.08577	1.5
121.10105	1.5
131.04936	4.0
133.10127	1.2
134.09651	100.0
135.08023	1.4
135.09914	2.5
143.08560	1.8
147.04387	1.1
149.05962	15.8
157.10080	0.8
161.09612	1.1
163.11090	0.8
176.10652	7.6
183.05769	0.9
183.11726	1.5
186.81877	0.7
193.10239	1.3
194.11760	90.0
195.11920	1.1
197.13246	1.4
199.10977	0.8
207.11642	1.5
209.13344	1.0
236.12804	4.9
237.99194	0.8
249.16428	0.9
252.12292	1.4
267.17294	3.7
277.15906	0.9
285.18472	1.4
295.16705	1.3
300.36221	1.0
311.15927	0.8
366.75711	0.8
443.82983	0.9
608.32184	6.0
650.33466	5.6
710.35278	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	710.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53675	0.4
50.99816	0.6
54.37159	0.5
71.23907	0.6
72.04516	45.3
84.15485	0.6
91.05459	0.9
105.07008	0.8
107.04942	3.9
107.08621	0.8
116.17039	0.6
119.08595	1.1
127.81274	0.6
131.04909	1.0
131.08612	0.8
131.21333	0.7
133.10155	0.9
134.09651	100.0
135.08041	0.8
176.10672	8.8
183.11668	2.4
186.04684	0.7
194.11783	7.2
207.11746	2.5
209.13387	0.6
249.16489	3.2
267.17490	4.0
564.52673	0.8
650.33228	4.2
710.35120	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	710.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56312	0.5
63.41736	0.5
72.04514	40.9
79.05442	0.7
91.05453	1.1
91.20994	0.5
93.06986	0.6
93.25208	0.6
96.33935	0.5
103.05470	2.0
105.06973	1.5
107.04950	7.1
107.08574	1.2
109.06535	0.8
119.04922	0.6
119.08551	1.0
121.10200	0.8
131.04909	8.3
134.09647	100.0
135.08054	3.5
143.08525	0.6
147.04430	0.9
149.06013	0.8
157.10046	1.1
169.10143	0.9
171.11609	0.7
176.10706	8.8
181.10165	0.7
183.11703	3.2
193.10107	1.2
194.11809	10.3
195.11652	0.9
197.13078	0.9
207.11740	2.0
209.13278	1.0
211.11189	0.8
213.12798	0.7
221.80547	0.6
225.12646	0.9
235.11095	0.6
239.17841	0.8
249.16371	3.0
252.12141	0.8
267.17557	4.6
295.16870	2.0
313.17941	0.9
355.19064	0.7
393.90991	0.5
400.25055	2.1
415.21332	0.6
588.97797	0.6
650.33124	6.1
710.35345	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	710.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55555	1.4
57.21116	1.5
63.21741	1.4
64.02946	2.0
72.04522	8.2
75.89804	1.5
79.29005	1.8
80.71564	1.7
81.07059	3.1
91.05466	9.6
93.07053	3.6
95.04929	3.0
95.08567	2.5
105.07028	8.5
107.04960	8.7
107.08595	6.6
117.70760	1.8
119.04932	60.1
119.08544	7.4
120.13927	1.7
121.10122	3.4
123.08073	1.7
129.06953	3.4
131.08548	3.7
133.10101	3.9
134.09657	34.4
143.08575	3.2
145.10072	5.9
147.04408	100.0
147.05589	3.8
147.08057	1.8
149.09618	3.1
155.08585	2.0
157.10097	6.6
159.11693	2.6
161.09648	2.2
165.05423	2.8
167.08594	2.7
169.10098	3.4
171.11699	2.2
181.10077	2.1
183.11729	2.0
189.05440	4.0
192.10240	2.1
194.11742	3.2
195.11746	3.3
199.14908	1.6
207.06613	2.7
209.13374	6.4
210.11226	3.1
211.14996	2.2
251.17946	3.7
252.09659	3.6
252.12289	96.8
261.16229	2.2
269.19043	3.1
271.16925	25.4
279.17398	3.5
294.13324	15.2
297.18445	3.0
326.52612	1.6
357.20529	2.2
460.86792	1.9
468.26678	1.8
710.35468	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	710.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
57.07073	0.9
65.54798	0.9
67.05502	4.5
69.03427	1.3
72.95775	1.1
77.03906	0.9
79.05512	6.8
81.03431	4.5
81.07060	4.7
83.04979	1.7
91.05483	6.0
93.07044	12.7
95.04968	13.2
95.08589	6.6
98.61500	1.1
105.03391	6.6
105.07043	10.0
106.06554	26.0
107.04955	4.4
107.08598	17.3
109.06483	0.9
109.10165	4.8
117.07006	2.2
119.08583	13.9
121.10146	5.8
129.07027	1.5
131.04924	36.2
131.08594	2.4
133.06540	2.1
133.10129	33.9
133.11140	1.3
135.08046	31.7
135.11679	4.6
137.09560	1.2
143.08580	4.6
145.10089	10.4
147.08119	1.4
147.11708	6.4
148.07576	4.6
149.06029	1.9
155.08443	1.0
157.10139	5.3
159.11722	4.6
161.09628	11.2
163.11195	4.2
167.08505	1.1
169.10075	1.7
171.11720	4.5
173.09854	1.3
173.13293	2.1
181.10155	4.5
183.11729	4.9
185.13266	1.7
190.08640	1.4
195.11720	3.9
197.13277	2.2
199.11256	1.1
209.13338	4.4
223.14871	6.5
225.16438	1.2
227.14253	1.3
235.14792	1.1
265.19537	5.0
283.20694	5.6
308.15079	1.0
404.95096	1.2
608.35931	6.2
638.13550	1.1
650.36725	6.9
710.38965	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	710.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94103	1.8
56.55610	1.7
57.47871	1.6
57.68758	1.9
58.96809	1.7
67.05499	2.3
67.09948	2.1
72.04511	4.9
72.34939	1.9
74.06070	14.1
74.09699	3.2
75.40103	2.1
79.05505	7.9
81.07048	2.4
91.05466	2.8
93.07030	3.2
95.08601	3.3
99.13477	2.2
102.09176	26.8
105.07014	8.6
107.04957	100.0
107.08578	3.7
109.10162	2.8
118.02313	2.1
119.08578	8.4
121.10114	3.2
131.08545	3.1
133.10120	12.5
134.09659	91.6
143.08591	4.0
145.10124	4.3
147.11656	2.5
149.05998	21.1
155.08574	2.2
157.10143	9.7
159.08087	2.7
161.09576	2.8
169.10182	10.8
171.11681	3.7
183.11705	4.6
187.92509	1.9
193.10043	2.8
194.11777	75.2
195.11792	3.4
197.09419	1.9
197.13341	7.8
206.10963	2.7
207.11629	3.3
209.13400	2.7
211.14816	3.3
221.13229	3.6
225.12732	2.7
248.15582	4.1
253.06078	1.9
253.19638	2.6
263.17963	12.9
281.18973	12.6
341.21048	2.4
516.31091	14.5
594.34052	13.1
650.36847	29.6
710.38354	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	710.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.5
66.88383	3.7
67.05495	26.3
67.56258	3.7
79.05492	28.9
81.07064	31.0
84.06557	4.4
91.05456	33.5
93.07037	41.7
95.08579	22.3
97.10156	4.5
105.07054	6.2
107.08586	6.9
111.09197	6.1
117.07063	5.0
119.08578	8.8
121.10101	19.8
128.11826	5.5
129.06982	7.4
134.09618	6.2
135.11765	7.5
139.25975	4.2
139.48311	4.9
145.10123	4.7
147.11676	8.2
171.11591	6.5
172.02139	4.5
281.17545	15.5
307.22763	29.6
320.04858	4.4
362.01892	4.8
399.80234	4.0
407.15710	4.2
513.35693	100.0
629.14142	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	712.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42174	0.8
55.63300	1.0
78.82092	0.9
79.05090	1.1
79.05488	9.1
82.10529	1.0
91.05471	1.2
92.17891	2.1
93.07045	1.6
95.08572	1.5
98.22615	1.1
105.07006	6.2
107.04955	100.0
107.08575	1.2
117.06950	1.3
119.08571	1.7
120.08105	18.5
121.10122	2.0
132.86412	1.2
133.10094	4.2
143.08533	1.6
145.10054	1.2
147.08017	2.1
147.11737	1.3
149.05975	24.2
156.02231	1.1
157.10161	1.5
159.11717	1.6
161.13315	1.5
166.90140	1.0
169.10051	1.2
171.11684	1.4
175.11253	1.4
180.10191	97.3
183.11795	1.3
187.07138	1.1
197.09689	1.4
209.13376	1.0
213.16423	1.2
307.96085	1.3
473.21671	1.5
578.09467	1.1
652.20294	2.0
652.31171	53.3
712.33246	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36702	1.1
79.05491	10.6
83.30254	1.2
93.07039	3.0
105.07028	6.6
107.04951	100.0
107.08602	2.9
108.42581	1.6
119.08635	2.6
120.08093	19.0
121.10144	1.4
133.10107	2.0
145.10118	2.3
147.08034	2.1
149.05969	24.0
157.10149	1.6
171.11690	2.8
180.10184	94.9
257.47101	1.3
264.53299	1.3
297.18619	2.4
452.91132	1.4
473.22046	2.4
652.31183	53.4
712.33276	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	712.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90280	1.2
79.05494	10.9
81.98568	1.1
90.73503	1.1
91.05482	1.9
93.07027	1.8
95.08629	2.1
98.70853	1.5
105.07024	6.2
107.04952	97.5
107.08558	2.3
109.10172	1.3
109.70123	1.4
119.08569	4.9
120.08088	21.8
121.10133	2.3
131.08577	1.9
143.08632	1.2
144.58362	1.5
145.10139	1.5
147.08098	1.5
149.05968	25.3
157.10118	2.9
171.11708	2.1
180.10185	100.0
183.11754	2.1
187.11171	1.4
197.13101	1.5
269.19016	1.5
315.19345	2.1
358.69977	1.3
634.29523	1.5
650.33643	1.2
652.31061	48.0
682.95807	1.4
712.33142	25.0
713.93152	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	712.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88979	1.1
52.06488	1.0
56.05031	4.7
56.96188	1.0
60.20974	1.2
74.06081	63.7
76.91185	1.2
77.33504	1.3
79.05489	1.1
91.05482	17.8
93.07072	1.5
105.07031	10.1
107.04957	5.8
109.06498	1.8
119.04934	39.0
119.08551	2.5
129.07027	1.4
129.69562	1.3
132.08081	21.0
133.06543	1.8
134.09644	5.8
139.77036	1.1
143.08548	1.8
147.03288	2.1
147.04416	41.5
150.09145	18.5
155.08578	4.6
157.10054	3.8
159.07991	1.3
165.07057	1.5
167.08556	8.3
168.09392	2.0
169.10059	4.1
178.08647	11.8
179.08638	4.5
180.09291	2.5
181.10127	13.8
183.11630	4.0
189.05428	1.4
192.10213	30.8
193.10233	2.2
194.10968	6.9
195.11678	10.4
207.06467	2.4
207.11754	2.1
209.13249	24.1
210.11331	1.9
211.11154	5.0
213.09122	1.5
219.11760	2.2
220.09683	100.0
222.10414	2.3
227.14365	2.8
237.12724	51.1
238.10689	10.8
255.13811	13.4
262.10645	1.6
265.44211	1.2
267.17432	1.6
277.15854	7.0
280.11780	33.8
295.16931	1.6
297.14890	7.4
315.15961	6.6
394.44208	1.2
652.31030	1.7
712.34137	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	712.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62611	2.3
58.89851	2.1
60.16725	2.1
61.76844	2.5
74.06079	100.0
78.02388	2.3
83.42815	2.2
83.58842	2.1
91.05481	36.3
105.07024	9.4
107.04960	4.8
119.04927	20.9
119.08575	4.6
132.08069	12.4
134.09645	4.7
147.04414	3.6
150.09131	15.0
158.72069	2.3
165.06943	2.9
167.08455	3.5
179.08536	11.0
181.10121	9.3
191.08618	2.9
192.10318	20.8
193.10162	5.1
194.10777	2.8
194.11824	2.8
195.11699	9.9
203.08551	5.3
204.09343	36.2
209.13277	16.0
209.15440	2.0
210.11258	3.2
211.11212	9.8
219.11691	76.6
220.09695	47.7
237.12691	35.5
238.10718	20.6
255.13811	5.3
259.15121	2.9
277.15759	3.0
279.13773	3.2
280.11890	4.9
282.36060	2.6
295.17007	5.4
297.14969	10.1
340.39075	2.8
373.20364	3.3
458.07889	2.7
608.27881	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	712.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16331	0.8
50.31812	0.9
57.52887	0.9
58.14089	1.1
59.24855	0.8
69.07054	1.1
80.17945	0.8
91.05472	72.9
92.05852	1.0
95.04960	1.6
103.05513	1.6
105.07011	1.1
107.04913	1.1
119.04926	15.8
119.08610	4.3
121.10108	1.8
130.37895	1.0
134.09633	16.9
157.10144	1.3
161.99200	1.0
169.10097	2.2
171.11627	3.5
181.10045	1.9
193.10199	1.0
194.11856	1.5
195.11584	1.4
209.13242	3.7
210.11230	100.0
211.11615	1.9
231.11719	1.3
243.11971	3.5
251.17868	3.6
252.12244	1.4
253.10410	1.2
261.16483	4.5
279.17538	3.7
281.96378	1.0
297.18295	3.6
303.14127	1.9
313.20074	1.2
323.18085	12.3
341.19193	17.6
383.20380	9.3
434.30096	0.9
528.06433	1.0
606.72076	1.0
653.47772	0.9
712.34912	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	712.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46078	0.6
59.03678	0.7
65.03895	0.8
67.05497	0.8
91.05476	72.9
92.45228	0.8
93.48168	0.8
95.04965	1.4
103.05469	1.8
105.07020	1.0
107.04946	1.5
119.04940	14.6
126.00661	0.7
131.08606	1.3
132.35155	1.0
133.10071	0.9
133.57349	0.7
134.09657	14.0
143.08575	1.1
145.10146	1.3
155.08540	1.1
157.10146	1.5
159.07922	1.1
159.11717	0.9
167.08553	1.2
194.11197	1.0
195.11678	3.3
209.13310	3.3
210.11246	100.0
211.11504	1.9
215.08734	1.4
217.10323	1.3
219.11699	1.2
229.10402	1.1
233.13411	0.9
237.12854	1.0
241.10420	1.2
243.11871	4.1
250.85782	0.8
251.17839	1.7
252.12334	3.8
261.16318	1.6
267.11789	1.5
279.17508	3.5
281.13370	3.0
284.42221	0.9
297.18713	3.6
303.14041	1.2
322.18637	1.1
323.18127	12.1
341.19217	14.4
383.20316	9.2
712.35181	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	712.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58426	0.8
56.49893	0.8
57.28061	0.8
66.44129	0.8
72.66850	0.9
76.03607	1.0
91.05476	81.5
92.05811	1.3
93.07042	1.1
95.04961	2.3
99.68935	0.9
103.05439	1.4
105.07027	1.2
106.34940	0.9
117.06950	1.0
119.04930	16.3
119.08545	1.8
127.05573	1.2
129.06885	1.0
131.08549	1.5
134.09666	18.3
143.08525	1.1
145.10133	1.5
157.10083	1.5
159.11610	1.5
169.10162	1.6
171.11803	0.9
179.08571	1.0
191.08656	1.3
193.10191	2.1
195.11742	3.6
208.12476	1.1
209.13240	1.7
210.11241	100.0
211.11597	3.5
215.08754	1.1
216.22437	0.9
217.10373	1.1
219.11760	1.1
221.13220	1.0
229.10379	1.2
231.11839	1.2
243.11879	5.2
245.13519	1.6
246.54945	1.2
251.18065	1.4
252.12355	4.1
253.10443	0.9
255.11781	1.1
261.16116	1.1
279.17441	5.0
281.13611	3.5
297.18542	1.4
303.13947	1.4
323.18152	15.6
341.19223	15.0
383.20331	7.5
502.18533	1.0
641.66174	1.0
712.34467	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	712.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41254	1.4
55.05518	1.6
79.05495	10.6
79.31790	1.8
81.07050	1.7
85.33836	1.8
85.61652	2.0
91.05460	4.1
93.07018	2.3
105.07062	14.2
107.04951	100.0
107.08587	9.0
109.06506	2.1
109.10169	1.8
117.07018	3.7
119.08562	19.9
121.10158	6.7
129.06987	2.9
131.08546	8.1
133.06479	2.4
133.10135	4.2
134.09650	66.6
135.08025	8.7
137.09586	2.3
137.77640	2.1
143.08513	3.7
145.10146	7.5
149.05984	17.0
149.09587	3.2
155.08508	3.6
157.10124	10.4
159.07983	3.9
159.11642	2.3
161.09612	8.0
169.10112	9.1
171.11693	2.1
173.09628	2.7
175.11142	2.4
179.72800	1.8
181.10091	3.9
183.11623	7.7
193.10184	1.9
194.11772	58.9
195.11691	10.1
197.13251	3.3
199.11322	2.6
206.10883	2.7
207.11681	9.7
208.12537	2.3
209.13275	12.6
211.11368	1.9
211.14737	3.3
219.11644	8.0
221.13245	9.8
223.14870	2.1
225.12715	2.0
231.11732	3.0
232.12593	3.2
236.15575	3.1
237.16466	3.3
246.14059	7.2
251.17844	7.1
261.16302	22.5
279.17450	16.6
297.18484	10.2
399.21964	2.3
459.23953	12.7
652.35028	29.0
712.36884	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83960	0.9
61.33983	0.9
75.58638	1.2
79.05480	5.1
91.05469	4.8
94.14878	1.3
105.75059	1.3
107.04954	67.0
134.09697	10.5
135.08018	2.0
143.08644	1.1
149.05962	19.0
157.10167	1.4
161.09573	1.2
194.11760	100.0
195.11746	1.7
210.11194	1.6
222.13527	1.0
236.12866	9.9
237.12544	1.6
246.63675	1.1
279.17526	2.7
559.36945	1.1
652.33508	1.7
712.36658	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16146	1.2
64.69173	1.6
72.04508	6.5
79.05484	9.2
81.07030	2.9
88.07594	3.0
91.05479	6.4
93.07047	3.2
93.78828	1.6
95.98231	1.5
105.07005	6.6
107.04949	100.0
119.08562	12.0
131.08519	3.3
131.94191	2.0
133.10132	3.2
134.09641	81.5
135.08035	2.4
141.26924	1.5
143.08562	10.7
145.10123	6.7
147.08012	2.1
149.05940	17.9
149.09602	1.8
155.08527	3.8
157.10126	6.9
159.11656	2.0
161.09575	3.5
162.51514	2.1
169.10144	8.0
179.08589	2.1
181.10120	7.2
183.11679	6.7
192.10307	1.7
193.10100	3.4
194.11758	86.0
195.11674	9.5
197.13153	2.2
206.10902	3.6
207.11751	3.7
208.12453	2.2
209.13222	3.4
211.14844	6.6
219.11583	2.1
220.12488	2.1
221.13271	9.5
223.14819	6.5
231.30318	1.7
239.14117	2.8
249.16287	2.7
279.17386	10.0
502.29568	7.2
532.30597	3.0
534.27765	2.5
592.32678	8.9
594.16681	2.1
594.30530	14.2
610.33417	6.1
652.35022	13.0
712.36975	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08529	1.1
53.15945	1.2
53.32379	1.0
53.87191	1.1
56.54517	1.0
59.86972	1.3
67.05495	1.8
68.75835	1.4
72.04502	1.8
79.05488	12.1
81.07039	1.7
87.94332	1.5
91.05454	7.7
93.07034	2.2
95.04929	2.4
95.08591	2.6
103.05487	2.0
105.07035	7.5
107.04952	100.0
107.05686	3.2
107.08615	2.8
109.10126	2.6
117.07101	1.3
119.08553	10.7
121.06467	1.4
121.10201	2.5
123.04417	8.5
123.08075	1.4
126.54514	1.4
129.07025	2.3
131.05008	1.7
131.08557	6.9
133.10118	8.9
134.09648	42.2
135.08084	2.2
141.07063	1.7
143.08560	7.3
145.10110	7.9
147.08049	2.0
149.05981	19.5
150.09157	8.9
155.08560	7.1
157.10141	6.9
159.08067	2.3
159.11703	3.1
161.09666	2.5
165.05487	2.4
167.08463	1.6
169.10085	7.1
171.08069	1.8
171.11655	2.4
173.09613	1.7
181.10143	7.0
183.09007	1.3
183.11685	6.3
185.09633	2.0
193.10127	5.9
194.11777	73.9
195.11684	13.2
197.13272	2.3
200.12761	1.6
206.10893	3.3
207.11667	2.5
208.12579	1.6
208.55603	1.3
209.13332	8.9
210.11308	7.7
211.14771	1.4
218.65649	1.5
219.11717	3.4
220.12578	2.4
221.13298	6.9
223.11157	1.6
223.14859	2.2
225.16339	1.9
231.11688	3.3
232.12469	2.0
235.14850	2.3
237.16379	2.3
246.14011	5.5
251.17987	2.9
261.16403	10.2
263.18079	2.1
276.49728	1.6
279.17447	8.6
297.18604	3.4
532.30664	3.3
652.34698	17.7
712.36877	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.369
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04516	1.1
79.05491	7.1
79.75836	0.5
88.45335	0.7
89.34792	0.6
91.05459	1.5
93.94479	0.5
105.07034	2.6
107.04952	80.3
131.04950	0.6
131.08592	0.9
133.10132	0.9
134.09650	23.1
136.62146	0.6
143.08517	1.0
147.08028	0.9
149.04861	0.8
149.05984	17.0
155.08597	1.0
157.10185	0.8
162.50539	0.6
179.08627	0.7
183.11716	0.8
191.08510	0.7
192.39850	0.7
193.10075	1.3
194.11761	100.0
195.11804	1.2
197.13214	1.0
206.11041	0.8
209.13235	0.7
211.14819	0.9
221.13237	1.5
223.14764	0.9
231.11549	0.6
236.12820	3.7
239.14021	0.9
246.14088	0.8
261.16284	0.8
279.17484	1.5
414.78992	0.8
474.26346	1.1
532.30444	1.2
534.27881	2.1
592.32727	0.9
652.34796	3.2
712.36859	6.9
733.34375	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	712.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18537	1.2
62.57878	1.1
70.88957	1.1
72.04487	1.9
75.44635	1.1
79.05505	9.2
83.84508	1.0
91.05463	1.9
107.04958	96.2
107.08582	1.9
119.08615	1.4
121.10113	1.5
131.08521	1.5
133.10153	2.1
134.09663	12.8
149.05975	13.1
159.08000	1.6
169.10103	1.3
173.09628	1.3
193.10262	1.5
194.11765	100.0
196.09837	1.1
206.10886	2.3
221.13213	2.3
231.11673	1.5
239.14381	1.4
261.16278	1.3
264.15045	1.5
279.17474	2.9
297.18542	1.5
534.27936	1.7
652.34692	7.2
712.36847	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	712.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.5
72.04525	1.1
79.05489	8.9
81.07049	1.0
91.05457	4.4
93.07040	4.4
95.04920	1.2
105.07001	2.0
107.04952	100.0
119.08577	2.7
131.08580	4.8
133.06566	1.1
134.09639	33.2
140.87439	1.3
143.08577	2.6
149.05971	19.0
155.08484	1.3
157.10100	1.2
161.01212	1.2
167.08630	1.4
169.10091	4.7
170.76181	1.1
172.38879	1.2
172.92926	1.1
178.07907	1.3
179.08553	6.6
181.10074	5.3
183.11687	5.8
185.62335	1.1
191.08551	1.4
192.09238	1.1
193.10156	6.8
194.11766	70.9
195.11696	2.3
197.13228	1.5
206.10846	13.1
211.14806	9.3
211.46863	1.2
221.13242	20.1
223.14734	4.4
237.16397	1.6
237.32101	1.1
239.14336	6.2
276.43042	1.3
279.17474	1.8
297.85080	1.4
299.16516	2.3
474.26419	9.0
534.28455	40.8
594.30609	23.5
652.34583	12.2
712.36456	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	712.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48519	0.8
72.04510	1.3
79.05490	6.8
81.07055	1.1
91.05478	1.3
102.41519	0.8
105.07014	3.5
107.04955	82.7
107.08569	0.8
117.07001	1.0
119.08616	3.4
121.10119	2.0
133.10136	1.4
134.08643	1.1
134.09648	34.4
143.08589	1.7
145.10066	1.6
147.08020	0.9
149.05977	15.0
155.08556	2.0
157.10049	1.6
159.30226	0.8
161.96846	1.0
167.08618	1.3
169.10086	1.3
179.08510	1.5
181.10081	1.7
193.10152	1.7
194.11771	100.0
195.11716	4.6
207.11685	1.3
209.13295	3.7
218.11049	1.0
220.12440	1.2
221.13268	1.9
231.11676	1.7
236.12839	3.5
246.13991	1.9
251.17892	2.0
261.16464	1.6
279.17413	5.2
287.29709	0.8
297.18536	3.9
304.54019	0.9
339.19769	1.0
592.32501	3.6
652.34772	11.0
712.36932	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	712.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37622	0.6
51.56294	0.6
72.04521	1.8
78.20259	0.7
79.05479	5.9
79.10618	0.7
82.61395	0.7
88.07619	1.1
91.05486	0.9
92.18433	1.6
93.07054	1.1
105.07024	3.5
105.73027	0.7
107.04952	69.5
119.08601	2.7
121.10107	1.5
131.08566	1.4
133.10132	1.7
134.09648	21.5
143.08585	3.1
145.10152	1.9
147.08061	1.1
149.05972	16.8
157.10103	0.8
157.90585	0.8
164.97769	0.9
169.10176	1.3
171.11694	1.4
171.38229	0.7
179.08562	0.7
181.10104	2.9
191.03737	0.8
193.10130	1.0
194.11765	100.0
195.11656	1.4
206.10916	1.3
209.13222	1.7
221.13210	1.3
225.27197	0.9
234.76651	0.8
236.12904	6.3
236.15031	0.9
246.13850	1.4
261.16418	1.7
271.16925	1.2
279.17471	3.6
297.18286	1.7
357.20654	1.6
592.32452	3.5
652.34784	11.1
712.36798	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	712.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39666	6.6
79.36114	6.4
91.05473	9.9
91.28736	6.9
93.07037	10.5
103.05491	7.8
105.07041	13.1
107.04951	10.7
119.08575	34.2
131.04924	38.4
144.50209	8.5
145.10077	11.6
155.08516	16.3
157.10139	11.1
169.10023	8.9
181.10175	14.7
181.17102	8.2
182.50879	8.1
194.11884	13.9
195.11682	18.3
195.18980	7.5
207.11676	13.9
217.09923	12.0
219.11688	11.8
231.11740	15.8
246.13992	16.8
251.18103	11.1
261.16412	64.3
279.14816	8.6
279.17386	63.8
297.18451	11.6
339.19696	15.0
399.21707	31.0
437.25842	9.0
514.27448	9.3
712.36884	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	712.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74108	1.3
67.05504	1.6
69.03403	1.4
72.04516	3.5
79.05500	11.0
81.07066	3.3
88.70968	1.5
90.45193	1.5
91.05482	4.0
92.18443	3.0
93.07034	2.1
95.08631	1.5
99.20703	1.8
105.07029	7.7
105.85822	1.5
107.04963	91.7
107.08612	3.8
109.06504	1.8
119.08607	9.4
121.27525	1.9
123.08088	2.6
129.07007	1.9
131.08572	9.6
133.10114	3.7
134.09657	32.4
135.08037	1.8
135.09961	2.1
143.08606	7.3
145.10130	6.5
149.05972	19.7
155.08574	3.4
157.10155	7.3
159.08026	2.4
167.08623	2.1
169.10115	3.4
170.33817	1.9
179.08607	3.3
181.10127	6.6
183.11691	3.8
193.10257	2.2
194.11786	75.8
195.11765	10.3
199.11209	1.6
206.10909	2.8
207.11897	2.7
209.13345	8.0
210.11272	2.1
217.10143	1.9
218.10909	1.9
219.11511	2.4
221.13284	2.3
231.11734	3.4
232.12573	2.9
237.12744	1.8
237.16469	2.5
246.14053	3.8
251.17934	2.7
261.16449	6.9
265.06339	1.9
279.17554	9.3
297.18616	7.4
429.23871	1.6
455.22778	1.8
479.73801	1.8
590.39655	2.2
635.51709	1.9
652.34900	3.8
712.36914	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	712.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.84184	1.5
59.05774	1.7
68.06747	1.3
72.12024	1.3
79.05488	11.7
81.07053	5.6
91.05485	7.2
93.07040	6.3
93.35283	1.8
95.04961	2.6
95.08593	2.2
105.03368	3.2
105.07037	42.7
107.04953	100.0
107.08586	2.9
108.70089	1.4
119.08546	8.5
123.08109	1.6
129.07013	1.6
131.08575	3.4
133.06462	2.0
133.10039	1.6
134.09641	10.0
136.41386	1.4
137.09663	1.5
143.08572	2.1
145.10106	2.0
147.11636	2.4
149.05962	18.6
155.08467	4.7
156.59549	1.3
169.10068	3.4
171.11589	2.2
181.10150	1.9
183.11630	2.0
194.11769	65.3
194.13603	2.1
195.11667	6.2
197.13390	2.5
206.10892	2.2
209.13310	2.0
210.11275	2.9
211.14804	5.8
221.13309	3.5
239.14304	3.3
281.17648	2.7
309.22247	1.6
397.23712	9.0
487.30499	17.3
528.29828	1.8
590.35028	2.3
614.30615	3.3
684.58728	1.8
712.38348	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80604	2.8
63.48450	3.2
64.47292	3.1
72.43090	3.3
79.92525	3.1
81.07064	3.3
93.07027	3.7
95.75248	3.9
115.88505	3.0
118.43330	3.5
222.87912	3.6
255.15930	4.0
337.23264	6.1
516.37811	4.1
713.45929	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	714.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37374	0.8
60.11784	0.7
65.13126	0.9
67.01816	0.8
70.00413	0.8
78.49379	0.8
79.05485	8.4
105.07016	1.8
105.41345	0.8
107.04953	100.0
112.47453	1.0
119.04861	0.9
122.79350	0.9
134.09651	4.4
145.06479	1.4
149.05981	21.0
165.05498	1.2
165.07037	1.2
167.08560	0.9
181.10211	1.1
193.10419	1.1
194.11758	91.9
195.11719	3.6
209.09552	1.0
211.11183	1.4
223.11330	1.1
241.12276	1.1
386.15057	1.0
714.31152	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16833	1.3
69.03421	3.6
77.90714	1.4
79.05472	3.5
91.05477	54.0
92.05808	13.8
97.06538	1.6
103.05461	3.3
105.07006	6.0
107.04946	41.8
107.08569	1.9
109.06500	2.1
113.05990	6.2
119.04929	13.1
119.08546	10.4
120.05260	2.8
120.08126	2.3
129.06982	2.7
131.04942	14.9
131.08594	2.9
133.06458	5.9
134.09669	20.1
135.10008	1.7
137.06000	1.6
139.07530	2.5
143.08597	3.6
145.10060	2.8
147.04382	6.4
147.08038	7.0
149.05962	10.1
149.09557	2.9
153.13011	1.6
155.08476	2.2
157.06447	3.6
157.10088	1.7
159.07986	3.5
161.09554	8.3
167.06970	2.0
169.10063	1.8
171.11626	1.5
175.07506	6.7
175.11021	1.8
181.10075	5.6
183.11633	2.7
185.09650	2.1
193.10193	1.8
194.11789	22.7
195.11569	1.7
197.13109	1.8
210.11264	48.8
211.11566	26.4
212.11722	8.7
217.08519	2.8
223.11137	1.8
225.12679	7.0
227.10617	2.2
239.10522	1.9
243.13872	2.5
249.12669	1.9
252.12228	1.6
253.12433	2.5
267.13675	6.0
277.42203	1.6
295.13275	2.1
299.13004	1.8
311.58066	1.6
313.14218	3.0
323.17960	2.4
324.18472	3.0
325.18546	2.9
341.19153	3.0
342.19443	7.5
343.19742	2.0
384.20755	2.1
617.96796	1.7
714.30988	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	714.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95454	0.9
52.06339	0.9
52.14442	0.9
53.43549	1.0
66.02310	1.1
69.03425	6.7
72.15328	1.2
79.05479	6.2
85.23248	1.3
85.50956	1.1
87.95976	1.2
91.05486	13.5
92.05791	2.3
95.04944	1.8
97.06520	1.6
103.05460	2.1
105.07053	8.1
105.66936	1.0
107.04950	33.3
109.06532	1.9
111.04446	1.7
113.05987	7.1
113.86092	1.2
116.82854	1.2
119.08575	6.8
120.08106	17.2
121.06470	1.9
129.07010	1.8
131.04961	11.9
131.08556	4.9
133.06485	5.3
133.10103	2.0
134.09711	8.5
135.61603	1.2
139.07571	1.7
141.05470	1.7
143.08559	1.7
145.10083	1.6
147.04404	1.2
147.08035	2.7
149.05928	9.2
149.09592	4.6
155.08549	1.9
157.06433	4.9
157.10091	1.8
159.08043	4.9
161.09583	7.6
163.07471	1.4
167.07086	2.7
173.09601	1.3
175.07500	7.8
180.10129	1.5
181.10063	1.9
183.11681	2.6
185.09561	1.5
193.10097	1.2
194.11777	19.5
195.11786	1.9
197.09584	1.5
198.75508	1.1
199.11127	2.0
201.09055	1.3
207.11786	3.8
210.11284	7.9
211.11629	9.3
212.11876	1.3
221.09625	1.3
221.13345	1.5
223.11142	1.1
225.12694	9.6
227.10576	1.3
233.13293	1.6
235.11140	2.7
237.12704	1.1
249.12781	1.3
253.12381	2.0
267.13840	3.9
271.13364	1.2
295.13428	2.1
295.16824	1.5
313.14560	3.6
351.27203	1.1
355.19333	1.2
552.29419	2.0
654.32611	6.1
710.55682	1.1
714.31091	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	714.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12444	1.1
69.03406	6.1
79.05479	2.6
91.05485	37.4
92.05828	10.1
95.04998	1.8
95.08591	1.4
97.02890	1.4
103.05427	2.8
105.07011	2.7
107.04957	37.2
109.02835	1.6
109.06534	1.2
113.05968	6.2
119.04928	5.4
119.08576	6.7
120.05257	1.6
120.08113	9.3
120.08862	1.2
129.06978	4.8
131.04924	9.2
131.08553	6.1
131.49181	1.2
132.78772	1.3
133.06435	2.2
134.09674	11.6
135.09991	1.8
137.05916	1.2
139.07526	2.7
143.08549	2.0
145.10139	2.5
146.30775	1.1
147.04361	1.7
147.08070	2.2
149.05994	9.8
149.09605	2.0
157.06477	2.9
157.10085	1.8
159.07986	2.4
161.09631	9.3
165.06876	1.6
167.07103	4.0
167.08516	1.8
169.10143	1.7
173.09541	2.1
175.07500	2.4
181.10106	1.8
183.08083	1.3
183.11684	4.9
194.11789	20.9
195.11700	4.9
197.13345	1.8
199.11227	2.2
201.09074	1.2
204.09300	1.2
207.11690	5.1
209.09674	4.3
209.13333	1.4
210.11252	32.2
211.11552	22.9
212.11838	7.9
221.13252	1.8
223.11279	1.3
225.12708	7.9
234.10329	1.6
235.11197	2.7
237.09084	1.5
237.12631	1.8
239.10741	1.3
239.14371	1.6
243.13765	2.4
249.12630	1.9
253.12283	6.0
267.13779	5.6
295.13403	1.7
313.14194	5.2
313.17783	1.7
323.17960	2.3
324.18436	2.3
341.19397	1.4
342.19714	2.1
343.19543	2.1
363.29938	1.3
373.16266	1.5
384.20700	1.3
403.28830	1.2
534.27655	1.5
552.28937	1.7
568.86218	1.4
574.32654	1.3
714.31030	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	714.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05495	1.8
69.98161	1.0
79.05486	9.7
81.03387	1.2
83.05003	1.2
91.05456	8.3
92.18517	1.5
93.07005	1.8
95.04959	2.6
95.08606	1.6
96.19120	1.0
102.22865	1.1
105.07047	7.4
107.04951	100.0
107.08591	7.1
109.06554	1.4
117.07034	1.6
119.08589	8.2
120.08101	69.5
121.10112	2.2
129.06982	2.3
131.04924	7.7
131.08551	4.5
133.06546	1.6
133.10117	18.0
134.09641	2.4
135.08040	2.1
143.08601	1.8
145.06503	1.6
145.10095	2.3
147.08072	5.8
149.05962	26.9
149.09615	1.2
155.08551	1.2
156.09325	1.0
157.10127	4.8
159.08099	1.4
159.11670	4.0
161.09634	3.9
163.07428	1.4
167.08572	1.2
169.10167	2.0
171.11667	9.5
175.07451	1.1
179.08592	1.1
180.10182	91.3
181.10124	2.2
183.11710	5.8
185.09636	1.2
185.13197	2.1
187.11200	5.0
189.12703	1.8
191.08701	1.0
193.10144	2.1
194.11829	1.1
195.11795	1.5
197.13304	4.4
199.11162	2.2
201.12727	2.5
207.11630	4.5
209.13387	1.7
210.11215	2.2
211.14682	1.3
213.12862	2.0
215.14265	1.2
219.11803	1.6
222.11198	2.0
223.11211	1.1
225.12805	1.4
227.14456	1.8
237.12697	2.0
249.16367	2.1
258.45459	1.1
262.13574	1.5
267.17416	2.1
295.16992	14.9
313.17978	7.3
355.18942	7.3
373.20178	2.1
391.89398	1.2
396.03006	1.0
415.21124	1.2
492.27414	63.7
534.28510	1.3
550.28375	1.9
552.29590	27.0
654.32660	4.7
714.32568	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	714.348
Annotation	Unknow
Peak:m/z	Relative Intensity
74.22964	1.1
79.05513	1.3
79.81692	1.1
84.73664	1.0
84.89804	1.2
85.18250	1.0
91.05479	74.3
93.07065	1.1
95.03109	1.2
95.05026	1.1
103.05468	2.5
105.07027	6.6
107.04953	12.7
107.08610	1.9
108.05289	1.2
119.04957	13.2
119.08552	4.0
120.08101	40.1
121.06470	2.0
121.10165	1.0
126.10275	4.9
131.04924	2.4
131.08598	1.7
133.10114	4.5
134.09639	7.0
135.08138	1.3
135.09985	1.3
143.08566	1.5
145.10130	1.9
147.08070	1.9
149.05951	1.7
159.08197	1.3
161.09604	1.4
169.10141	2.0
171.11684	1.6
179.08475	1.4
180.10208	1.6
183.11636	1.5
194.11841	4.0
195.11909	2.4
196.09683	100.0
197.09599	2.1
206.10887	1.5
209.13246	1.9
221.13284	1.8
225.12871	1.1
237.12630	1.4
238.10762	7.3
239.14241	2.4
249.12744	1.2
279.17496	1.3
300.75928	1.3
594.31683	2.0
654.33099	8.7
714.34247	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	714.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60812	1.4
57.67653	1.3
69.07066	2.2
74.06071	2.1
75.66771	1.4
79.05486	8.3
83.04972	2.6
85.47521	1.4
91.05476	13.5
93.07050	2.6
94.52779	1.3
95.04976	6.0
103.05468	2.2
105.07033	9.5
107.04955	75.2
107.05695	2.4
107.08568	7.1
108.05258	1.4
109.06496	2.4
118.75533	1.4
119.08583	9.7
120.08105	100.0
121.06492	1.5
121.10137	1.5
129.06987	2.4
131.05005	10.9
131.08553	3.4
133.10120	12.3
134.09657	5.6
137.09616	2.2
143.08618	2.4
145.10115	3.3
147.08069	2.5
149.05980	21.3
157.10182	3.1
159.11713	1.8
161.09584	1.9
171.11751	3.5
175.11212	1.5
179.08488	2.0
180.10196	62.6
181.10204	3.0
183.11722	2.5
185.13277	1.7
187.11183	1.9
189.09334	1.5
193.10236	2.0
194.11734	2.1
195.11676	1.7
199.11147	2.7
201.12781	1.7
205.12177	2.5
207.11787	1.6
209.13277	9.4
210.11278	8.3
219.11761	2.2
237.12688	6.9
255.13541	1.7
267.17438	6.1
277.15860	2.9
295.17010	9.5
297.14996	2.0
313.17795	13.4
355.19083	8.6
373.20010	10.2
415.21097	10.2
492.27530	19.9
534.28326	2.4
552.29242	6.1
552.37415	1.7
594.30231	3.4
654.32098	2.5
655.37994	1.6
714.34265	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05495	1.8
69.98161	1.0
79.05486	9.7
81.03387	1.2
83.05003	1.2
91.05456	8.3
92.18517	1.5
93.07005	1.8
95.04959	2.6
95.08606	1.6
96.19120	1.0
102.22865	1.1
105.07047	7.4
107.04951	100.0
107.08591	7.1
109.06554	1.4
117.07034	1.6
119.08589	8.2
120.08101	69.5
121.10112	2.2
129.06982	2.3
131.04924	7.7
131.08551	4.5
133.06546	1.6
133.10117	18.0
134.09641	2.4
135.08040	2.1
143.08601	1.8
145.06503	1.6
145.10095	2.3
147.08072	5.8
149.05962	26.9
149.09615	1.2
155.08551	1.2
156.09325	1.0
157.10127	4.8
159.08099	1.4
159.11670	4.0
161.09634	3.9
163.07428	1.4
167.08572	1.2
169.10167	2.0
171.11667	9.5
175.07451	1.1
179.08592	1.1
180.10182	91.3
181.10124	2.2
183.11710	5.8
185.09636	1.2
185.13197	2.1
187.11200	5.0
189.12703	1.8
191.08701	1.0
193.10144	2.1
194.11829	1.1
195.11795	1.5
197.13304	4.4
199.11162	2.2
201.12727	2.5
207.11630	4.5
209.13387	1.7
210.11215	2.2
211.14682	1.3
213.12862	2.0
215.14265	1.2
219.11803	1.6
222.11198	2.0
223.11211	1.1
225.12805	1.4
227.14456	1.8
237.12697	2.0
249.16367	2.1
258.45459	1.1
262.13574	1.5
267.17416	2.1
295.16992	14.9
313.17978	7.3
355.18942	7.3
373.20178	2.1
391.89398	1.2
396.03006	1.0
415.21124	1.2
492.27414	63.7
534.28510	1.3
550.28375	1.9
552.29590	27.0
654.32660	4.7
714.32568	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	714.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39949	1.2
65.36198	1.5
67.05495	2.3
69.03487	1.5
71.62908	1.5
79.05483	9.9
81.07061	1.4
82.95587	1.4
83.04971	1.7
91.05463	3.4
93.07065	2.1
95.04977	3.6
105.07025	7.9
107.04951	100.0
107.08598	7.2
119.08577	7.1
120.08101	53.7
123.11727	1.7
129.07031	1.9
131.04903	5.6
133.10123	17.5
134.09659	9.2
135.08002	1.8
137.96541	1.3
143.08534	2.6
143.58348	1.8
145.10074	1.7
147.08047	6.7
149.05991	23.8
155.08577	1.5
156.09343	1.8
157.10080	6.9
159.07982	2.0
159.11700	2.5
169.10083	1.5
171.11696	2.9
173.09544	1.8
179.08589	1.5
180.10194	78.4
181.10217	2.3
183.11755	3.3
185.13306	1.7
187.11163	6.3
189.12726	1.6
193.10207	2.3
194.11768	7.5
195.11757	2.6
197.13268	2.6
199.11084	2.1
201.12837	1.9
207.11743	2.5
209.13239	8.5
220.12447	2.0
235.14616	1.8
237.12732	1.9
267.17450	2.0
295.16837	11.2
313.17920	5.9
328.44327	1.6
355.19073	11.0
383.36624	1.7
420.78806	1.7
449.06046	1.6
492.27405	52.3
510.28275	1.9
536.27008	2.2
552.29572	22.2
654.34027	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	714.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
59.48846	0.3
65.77477	0.3
79.05494	8.0
81.07047	1.4
91.05489	1.9
93.07041	2.1
94.74528	0.3
95.04960	2.4
95.08610	0.6
103.05487	0.4
105.03392	9.7
105.04459	0.5
105.07022	3.5
107.04956	100.0
117.06960	0.6
119.08565	2.9
129.07030	1.7
131.08566	1.5
133.10124	1.8
134.09651	8.6
143.08580	2.5
145.10098	1.6
149.05972	16.5
155.08548	2.1
156.09323	0.4
157.10130	1.5
167.08548	1.5
168.09399	0.4
169.10110	5.5
171.11694	0.5
173.09593	0.6
178.07829	0.8
179.08543	4.0
180.09244	1.1
181.10164	2.9
183.10220	0.5
183.11702	6.3
185.13339	0.5
187.11151	0.4
191.08577	2.1
192.09407	1.9
193.10158	3.8
194.11774	73.3
195.11665	2.9
196.12515	1.3
197.09573	0.7
197.13235	0.8
205.10170	0.8
206.10892	9.8
207.11737	1.6
208.12352	0.9
209.13286	3.3
211.14819	9.7
219.11737	1.3
220.12485	1.7
221.13255	11.7
223.14868	1.4
231.11685	1.3
234.14114	1.4
235.14801	0.5
236.15643	1.7
237.16464	0.5
239.14276	3.6
246.13966	3.6
249.16347	0.5
251.17932	5.6
261.16461	3.7
279.17529	2.1
281.15381	1.7
341.17679	0.6
474.26651	2.8
514.29651	2.4
532.30334	1.1
534.28491	7.1
598.48444	0.4
656.32147	24.7
696.35248	13.9
696.46936	0.7
714.36420	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	714.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91835	0.3
59.57669	0.4
61.67697	0.3
70.85984	0.4
79.05494	9.8
81.07050	1.5
86.02640	0.4
91.05474	2.0
93.07023	2.2
95.04959	2.6
96.31824	0.4
105.03395	11.2
105.04494	0.5
105.07037	3.9
107.04956	100.0
114.83429	0.4
117.07030	0.5
119.08599	2.6
129.07010	1.9
131.08580	2.1
131.48630	0.4
133.06535	0.5
133.10139	1.5
134.09656	10.9
140.31726	0.4
141.07042	0.8
142.07764	0.4
143.08578	2.5
145.10098	0.8
149.05980	17.2
155.08540	2.9
156.54373	0.5
157.10144	0.9
159.08063	0.6
159.11723	0.9
165.06923	0.7
167.08565	0.5
169.10107	4.8
171.11682	0.5
178.07736	0.8
179.08484	3.2
180.09311	0.6
181.10173	2.7
183.11703	8.8
191.08565	2.3
192.09413	1.8
193.10147	3.4
194.11772	72.2
195.11717	2.6
197.09576	0.7
197.13237	0.6
205.10187	0.6
206.10904	10.9
207.11720	2.0
208.12514	0.7
209.13264	3.3
211.14809	9.6
216.82318	0.4
219.11784	0.8
220.12460	1.9
221.13258	11.3
223.11305	0.6
223.14864	1.6
230.13416	0.5
231.11703	1.4
232.12532	0.5
233.13348	0.5
236.15630	0.8
239.14233	3.8
246.14098	2.6
249.16516	0.6
251.17938	4.4
261.16348	3.9
262.06454	0.4
270.14120	0.4
279.17523	0.8
281.15216	1.0
299.16473	0.4
341.17371	0.6
351.17050	0.4
459.54791	0.4
474.26361	2.2
514.29437	2.6
534.28510	8.0
574.31555	0.4
656.32147	23.7
696.35345	12.2
714.36340	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	714.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24380	0.9
62.54654	0.8
76.32475	0.8
79.05500	7.1
81.07063	1.4
82.21796	0.9
91.05462	3.7
95.04978	1.1
105.03392	20.2
105.07038	1.1
107.04958	100.0
119.08560	3.9
131.08568	2.0
134.09663	8.8
141.98796	1.0
143.08560	3.6
149.05972	22.5
155.08575	4.8
165.06969	1.1
169.10104	8.0
179.08568	1.7
179.99530	1.0
183.11668	13.7
185.46054	0.9
185.97707	1.0
191.08601	1.9
193.10147	1.9
194.11768	59.6
195.11755	3.3
206.10934	5.9
209.13246	2.1
211.14853	18.0
221.13310	6.9
239.14310	1.9
309.93417	0.9
400.68945	0.8
441.24033	1.1
474.26349	1.0
534.28363	1.3
606.18024	0.9
656.32166	73.1
714.36444	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	714.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04828	0.9
54.48037	1.1
56.27728	0.8
59.29700	0.8
74.94600	0.9
79.05483	7.2
91.05495	2.2
94.53637	1.2
95.04948	1.8
105.03393	22.7
105.04478	1.3
105.07011	2.1
107.04953	100.0
108.82688	1.2
119.08553	1.8
134.09656	7.7
142.07845	1.0
143.08594	2.5
149.05971	19.4
155.08543	2.4
162.46518	1.2
169.10069	7.4
176.50688	1.1
179.08641	1.2
181.10043	1.2
183.11644	11.4
191.08536	1.3
192.09286	1.2
193.10187	2.1
194.11771	64.7
195.11775	1.3
196.12527	1.1
206.10916	7.6
209.13228	1.3
211.14792	16.5
220.87549	1.0
221.13228	9.7
239.14371	2.3
353.09628	1.1
383.64099	1.3
474.26379	1.2
493.04855	1.1
534.28308	1.6
656.32129	76.1
714.36279	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.3
56.05040	1.2
61.71887	0.9
67.05500	7.0
69.07059	6.4
69.50261	1.0
79.05486	8.0
81.07051	7.4
82.06589	2.6
83.08592	2.1
88.89389	1.1
91.05478	6.0
93.07022	6.4
94.06576	11.7
95.07338	1.8
95.08600	6.8
96.08112	6.2
97.10128	1.3
105.07037	3.8
107.08585	4.6
108.08100	1.5
109.10150	2.0
119.08559	4.9
121.10138	6.7
123.11713	1.1
133.10097	2.7
170.33783	1.1
171.33679	1.1
189.79315	1.1
203.11716	1.0
245.22546	1.5
250.25348	11.1
262.25275	100.0
272.25934	1.2
280.26273	8.3
363.62439	1.3
504.47733	1.8
516.47668	29.5
518.49188	2.4
534.48755	35.5
696.54041	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5514
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
52.76638	1.2
55.05511	1.4
56.05043	1.9
57.07081	1.5
67.05504	8.8
69.07053	5.4
69.11884	1.0
70.06605	1.2
71.08630	1.4
79.05489	5.6
81.07054	7.2
82.06573	4.5
83.08615	4.7
91.05461	2.5
93.07038	7.2
94.06544	11.8
95.07341	2.5
95.08588	6.6
96.08136	4.7
105.07039	4.5
107.08582	6.3
108.08140	1.7
109.10156	4.6
111.48229	1.0
119.08555	4.2
121.10154	8.2
122.09673	1.5
123.11670	1.4
133.10115	2.6
135.11711	4.5
147.11743	1.3
162.26434	1.1
168.32687	1.2
183.03105	1.3
204.48862	1.0
225.55927	1.0
245.11024	1.1
245.22643	2.5
250.25262	13.2
262.25278	100.0
273.01538	1.1
280.26239	7.4
390.29651	1.4
504.48111	1.8
516.47675	27.1
518.49335	1.7
534.48779	32.6
695.66571	1.1
696.54144	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50098	1.7
56.05039	2.3
63.04016	1.6
63.59278	1.4
65.77570	1.6
67.05492	8.1
69.07066	9.3
69.43774	1.5
79.05505	3.6
81.07044	9.9
82.06585	4.1
83.08620	3.9
84.85388	1.6
91.05473	2.6
93.07028	6.4
94.06570	15.0
95.07323	2.3
95.08594	8.3
102.70396	1.6
104.66626	1.5
105.07006	2.0
107.08599	3.3
109.10160	3.6
109.55643	1.6
119.08586	2.4
121.10140	3.3
122.09617	1.7
133.10123	3.4
135.05551	1.6
145.39963	1.9
245.22630	2.8
250.25249	10.2
262.25284	100.0
280.26340	7.4
516.47687	24.8
534.48926	31.4
696.54028	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49715	0.9
93.03369	1.7
111.04426	6.7
123.04413	38.8
127.03876	4.2
135.04410	26.3
139.03894	100.0
149.02315	2.4
151.03874	12.7
163.03888	20.7
165.05391	1.5
167.03445	1.3
177.05385	3.9
179.03352	8.9
189.05360	1.7
191.03392	13.6
193.04890	4.2
197.05962	1.0
201.05374	1.5
203.03354	14.4
205.04956	1.6
213.05585	2.1
215.03305	1.5
215.07127	1.7
217.04930	1.9
229.04973	6.5
231.06595	1.8
233.04453	12.9
241.04979	2.2
245.04398	25.9
247.06026	25.7
251.05513	2.5
255.06480	6.4
257.04434	20.1
259.06061	7.7
261.07416	1.6
263.05405	1.1
269.04526	2.1
271.06061	10.0
273.07559	1.5
275.05435	11.8
281.04172	1.3
283.05975	15.3
287.05435	49.9
289.07007	9.2
299.05502	7.9
301.07031	29.2
309.03842	1.3
351.04959	7.0
393.06012	5.2
405.06046	4.0
407.07565	1.3
409.09091	24.8
427.10181	80.9
469.10419	1.1
545.10730	4.2
662.54999	1.0
697.15350	2.4
715.16608	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	715.2753
Annotation	CHEBI:70669
Peak:m/z	Relative Intensity
54.23273	0.7
68.94424	0.9
78.70683	0.7
79.05493	1.0
81.07043	1.2
94.04165	1.4
96.51598	0.9
98.76325	0.8
103.05464	1.8
105.03391	1.5
105.07014	1.5
107.04950	26.3
108.05285	4.0
109.06563	1.1
121.06466	1.1
122.03648	4.3
123.04475	0.9
129.07018	1.6
131.04930	8.3
133.06473	3.2
134.09592	0.9
137.05977	100.0
143.08429	0.9
145.06459	1.2
146.07239	3.3
147.04398	1.0
147.08067	13.3
149.06010	6.5
150.06335	0.9
151.07541	3.7
153.05461	6.9
158.07399	0.8
159.08099	2.7
161.05971	5.0
162.06781	2.0
163.07587	1.7
165.05478	3.8
174.06772	1.4
175.07547	3.6
177.05428	12.7
178.06259	5.2
179.06998	1.3
179.08456	1.5
181.05035	1.4
187.07513	1.2
189.09091	4.9
193.12712	0.8
194.11777	17.6
195.12076	4.2
203.07100	1.2
211.99663	0.9
233.08124	1.1
265.08609	0.9
271.09674	1.2
277.08804	0.9
279.10162	1.0
280.11133	0.8
287.26450	0.8
290.09372	1.0
295.09583	1.0
297.11255	1.1
307.09607	3.7
325.10712	1.6
325.14294	4.8
331.62137	0.9
337.10822	1.2
339.12283	1.9
342.21231	0.9
356.82541	0.9
373.12665	0.9
419.74432	0.8
493.18469	1.6
533.56348	0.9
535.28107	1.1
579.22174	3.9
657.32507	5.9
697.26031	23.8
697.35931	2.1
715.26874	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	715.2742
Annotation	Lappaol F
Peak:m/z	Relative Intensity
53.25274	0.6
94.04182	0.9
94.14158	0.5
103.05445	1.1
107.04919	0.7
109.06503	1.2
116.59106	0.6
119.04948	0.6
122.03637	3.5
128.02184	0.7
131.04938	8.0
133.06511	0.6
135.04410	0.8
137.05971	100.0
140.32860	0.6
147.04475	0.8
149.05963	1.0
151.07532	5.2
157.06500	0.8
161.05920	1.3
163.07529	4.7
165.05486	0.9
175.07561	2.9
177.05469	3.8
178.06264	0.6
187.07544	4.0
189.09109	3.2
191.07030	0.7
209.06148	0.8
237.09123	0.7
239.07074	2.8
241.08659	3.7
247.07617	1.0
253.08606	1.4
261.09116	1.3
265.08563	10.0
269.08411	0.8
271.09647	7.4
272.54984	0.7
279.10150	4.4
289.08600	1.3
291.10141	2.4
293.11667	0.9
295.09607	1.2
297.11203	5.3
307.09714	3.1
311.12744	0.6
319.09802	1.2
321.11285	1.4
339.12341	2.7
365.11447	0.9
410.11789	0.8
425.13855	2.8
443.14844	0.8
457.16394	0.9
475.17548	1.5
493.18628	3.1
561.21198	4.6
579.22443	3.0
647.22632	0.9
661.24030	1.1
665.24048	0.8
679.25208	6.7
697.26379	31.6
715.27423	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
75.97251	1.8
79.05519	2.2
84.73404	2.3
91.05485	8.4
92.18398	2.0
93.07056	4.5
95.04969	16.4
95.08593	4.0
101.61166	2.0
105.03393	100.0
105.04510	8.6
105.07054	16.6
107.08572	9.8
109.06504	2.5
111.21930	1.8
117.07000	4.2
118.97610	1.9
119.08569	10.1
121.06506	8.1
121.10136	2.4
123.08032	7.3
129.07001	2.5
131.08543	8.5
133.06502	42.2
133.10155	8.3
135.08028	4.8
137.09621	7.3
143.08559	7.9
145.06516	8.6
145.10123	18.6
147.08052	7.8
149.05983	8.6
149.09605	4.4
151.07599	3.8
155.08594	2.8
157.10020	2.5
159.08073	11.9
159.11594	2.4
161.05917	2.5
161.09636	10.0
163.07532	3.6
165.06990	2.5
169.06389	2.6
169.10092	3.8
171.08046	3.4
175.07526	4.5
179.08614	3.2
179.10722	2.4
181.10091	4.3
183.11615	2.9
185.09645	3.0
192.09354	3.3
193.10173	9.0
194.10892	2.9
195.11668	14.4
196.12450	2.0
197.09595	3.8
197.13261	2.5
199.11145	3.5
205.10164	4.4
206.10916	2.4
207.11729	11.2
208.12440	3.0
209.09647	7.5
209.13264	2.5
211.11281	2.8
217.10202	8.6
218.10893	2.5
221.13338	3.0
223.11203	12.2
223.14851	7.1
223.45934	2.2
225.12860	2.8
230.10922	2.6
232.12482	13.6
233.09615	3.7
233.13293	2.6
235.11125	15.0
235.14847	3.3
236.11995	2.1
237.12669	3.5
237.16400	7.2
239.14348	2.5
247.14839	17.1
249.12592	3.6
250.13579	7.4
251.10701	3.0
251.14294	7.9
253.12199	3.8
257.13498	3.2
260.11896	8.5
265.15918	16.8
269.15381	2.3
275.14294	16.7
283.16904	4.5
293.15350	41.9
311.16388	25.9
335.16354	4.5
353.17352	14.5
371.18585	11.4
413.19589	28.1
473.21707	10.8
597.83081	1.8
603.45374	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	715.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26485	1.4
54.67084	1.6
61.02938	3.5
67.05505	2.3
69.03423	2.7
73.02925	4.0
76.25586	1.6
79.05498	9.6
79.78096	1.7
80.13506	2.0
81.07091	2.4
85.02902	7.2
85.06096	1.4
85.99614	1.7
91.03963	3.1
92.17908	3.1
93.07073	2.4
97.02901	3.0
104.68421	2.2
119.08665	2.3
121.10206	3.6
121.38920	1.8
147.11726	2.0
243.08624	2.1
465.21057	2.5
491.25958	2.8
579.72955	2.0
705.46490	1.9
715.40326	100.0
739.54657	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	715.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.4
61.02914	4.2
64.04410	0.7
67.05493	4.4
69.03422	0.9
73.02929	5.3
74.52023	0.7
79.05479	3.9
81.03430	1.1
81.07045	4.5
85.02916	6.0
89.85289	0.7
91.03938	3.5
91.05459	1.2
92.17847	1.3
93.07038	6.1
95.04893	1.0
95.08570	3.1
97.02875	5.6
101.02377	1.5
101.07578	0.8
105.07011	1.5
107.08591	1.7
109.10225	0.8
121.10137	3.9
127.03900	3.3
131.08527	0.9
147.11671	1.4
171.11803	0.7
243.08359	3.0
247.12939	1.6
260.84683	0.8
289.09140	0.8
307.22684	0.9
344.53256	0.7
367.94510	0.7
401.22617	1.0
457.13708	0.7
465.20926	4.9
491.26065	6.4
502.68765	0.8
692.27448	1.0
715.40039	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	715.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84648	0.6
55.05509	1.1
66.65027	0.6
67.05506	9.4
68.94614	0.7
69.07055	2.8
79.05469	1.3
81.07059	11.8
83.08621	1.0
85.16702	0.7
91.05437	0.7
93.07024	1.6
95.08612	10.7
103.12950	0.7
107.08575	1.5
109.10142	5.3
116.46933	0.6
119.08530	0.9
121.10131	1.2
129.57909	0.6
133.10159	0.8
135.11710	0.9
139.03909	3.5
145.02844	3.7
153.01830	9.7
177.05470	11.1
179.03375	1.5
192.04187	0.9
193.05031	0.7
205.04884	5.3
219.06528	0.9
231.06453	2.6
246.06427	0.6
261.11227	1.0
275.12854	2.6
279.23203	0.7
289.14337	5.5
301.14194	0.8
303.15881	6.2
315.16043	1.5
317.17453	4.2
341.17719	0.8
345.20602	1.6
371.22299	0.9
383.22110	24.3
401.23199	100.0
553.50690	0.6
603.46558	0.8
625.32050	0.7
679.45459	3.3
697.46716	8.2
715.48651	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	716.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99128	1.0
58.93920	0.8
67.05513	1.0
70.06927	0.9
71.64905	1.0
72.04500	1.4
72.55482	1.0
79.05466	7.0
91.05472	10.3
96.73148	1.0
104.16671	1.2
105.07025	6.4
105.16349	1.1
106.71060	1.1
107.04946	90.6
109.06530	2.3
113.06023	1.2
119.04953	1.5
119.08494	1.5
121.06541	1.8
123.04429	1.5
131.04922	2.0
131.08548	1.5
134.09630	19.2
145.06480	4.2
149.05980	25.1
181.10133	1.5
185.09531	1.2
194.11757	100.0
210.11256	10.2
211.11295	1.2
225.12917	1.1
237.12805	1.3
315.22665	1.1
533.07556	1.4
538.77014	1.2
559.43231	1.1
575.70288	1.2
656.32556	1.2
708.75055	1.2
716.32739	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58519	0.8
52.00187	0.7
64.66824	0.7
64.71861	0.7
91.05476	100.0
92.17857	1.1
95.04937	1.1
103.05457	3.5
105.07029	4.0
109.06503	1.0
119.04090	1.2
119.04929	19.5
119.08578	1.3
121.06483	1.2
121.10143	0.8
124.47410	0.8
133.10023	1.0
134.09648	27.4
135.08080	0.8
143.08545	1.4
155.08600	1.5
157.10182	1.4
169.10201	0.9
183.11755	1.1
185.09753	1.4
195.11693	1.2
197.13289	1.5
210.11241	91.6
223.11174	1.1
233.91566	0.8
263.14401	0.9
265.77344	0.8
580.86407	0.9
716.32721	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34865	1.0
58.93429	0.9
75.79958	0.9
79.05491	5.9
91.05460	1.9
100.05564	0.9
107.04951	76.5
107.08575	1.0
123.04337	0.9
131.04857	1.3
134.09612	7.4
149.05968	19.0
180.10088	1.6
194.11765	100.0
197.13330	1.0
204.09288	1.0
210.11226	1.6
236.12744	6.3
369.31235	1.2
691.47498	1.1
716.32751	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77783	3.1
53.03953	2.7
56.12217	3.3
63.36016	3.3
64.09856	3.1
67.05475	4.6
69.89157	2.9
81.07049	3.5
87.03428	3.2
93.07050	6.7
95.04971	9.1
95.66018	4.0
97.06533	4.8
105.03403	100.0
105.06997	6.4
106.44212	3.4
107.08588	6.9
109.10154	5.6
119.08544	4.6
121.10152	7.6
129.07062	4.1
131.08574	8.0
133.06505	5.9
137.09631	7.3
141.07024	8.4
143.08563	23.8
147.08055	4.9
155.08540	20.2
157.10149	13.8
159.08080	8.2
159.11635	8.6
161.09645	5.2
167.08530	6.1
169.10127	27.4
171.08002	29.1
171.11670	7.7
173.09703	5.7
173.13263	5.4
181.10127	6.3
183.11691	20.6
185.09630	6.2
187.11234	7.0
193.10173	15.6
195.11714	14.4
197.09615	28.3
199.11159	6.0
201.12787	7.2
207.11737	17.9
209.13283	7.3
211.11198	17.2
213.12761	5.0
215.10635	8.1
219.11665	5.3
221.13264	4.8
223.11168	6.7
225.12646	7.1
225.16463	5.5
225.77321	4.4
234.14085	7.5
237.12654	4.5
241.15848	5.4
249.16527	7.7
251.14183	4.7
251.90096	4.0
253.12242	6.1
253.15891	8.7
262.13593	5.8
265.15784	6.2
267.17450	24.7
269.15457	15.9
277.15955	14.5
278.41489	3.8
283.16888	5.3
285.18515	4.4
295.16922	47.1
313.17838	26.9
338.55804	4.0
355.19028	16.7
373.19928	12.8
415.21298	8.8
477.22757	18.6
537.24829	66.7
579.25549	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	716.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00111	0.8
52.11235	0.8
60.07153	0.9
66.15674	0.8
76.65088	0.8
79.05489	7.0
88.07603	1.2
93.07036	1.7
105.03392	3.9
107.04955	100.0
134.09662	29.6
143.08638	1.7
145.10211	1.3
148.40979	1.0
149.05980	22.0
150.09120	4.2
181.10106	3.9
186.23912	1.0
192.10229	1.7
194.11771	89.6
195.11876	1.3
208.12463	1.2
223.14880	1.9
225.16409	1.3
244.29831	0.9
308.54132	1.0
416.25858	6.5
434.26971	3.8
476.27985	46.9
598.31592	15.5
614.06946	1.1
656.35999	7.9
716.37952	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	717.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.4
53.03934	2.7
54.48537	1.2
54.99625	1.5
55.25079	1.4
67.05490	2.4
69.03421	1.8
75.36186	1.4
76.62669	1.3
79.05469	2.5
80.42374	1.6
81.07046	1.7
83.40963	1.7
91.05458	7.1
93.07042	15.1
95.04974	11.5
95.08585	3.2
97.15399	1.5
103.05463	35.8
105.03385	53.5
105.04479	2.6
105.07029	19.3
107.08574	8.7
109.06511	7.2
111.08002	2.0
115.05421	2.1
117.06967	1.4
119.08588	3.4
121.06513	11.1
121.10152	5.9
123.08066	3.1
125.94199	1.6
129.06985	2.0
131.04916	100.0
131.08543	5.6
133.06483	20.9
133.10130	14.4
135.08044	3.3
143.08557	2.5
145.06480	2.3
145.10159	2.2
147.08049	3.3
149.05951	8.3
149.09599	3.3
151.07582	2.1
151.11061	1.7
157.10007	1.4
159.08018	3.1
161.09583	9.1
163.03867	1.5
169.10152	2.1
173.09709	3.1
175.07471	2.1
177.05353	1.7
177.09102	1.5
183.11699	2.3
193.10161	5.5
195.06500	8.3
195.11690	2.3
197.09560	2.6
205.10292	1.6
211.11133	3.5
220.12474	2.0
221.13235	2.5
223.11166	1.6
225.09042	1.7
225.12730	2.7
235.14838	3.5
237.12520	2.4
238.13567	1.7
239.10638	2.3
247.11111	1.7
248.11964	1.8
251.10655	1.7
253.15645	2.7
263.14328	7.9
281.15338	7.9
291.13834	3.6
299.16592	5.7
309.14972	10.8
327.15854	20.1
345.16965	7.5
369.17108	7.2
387.17834	14.2
437.75851	1.5
482.10416	1.6
504.70352	1.6
509.21332	1.9
588.58124	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	718.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02607	0.6
58.63228	0.6
73.93626	0.6
73.99319	0.8
74.60638	0.6
75.86258	0.6
79.05481	4.6
91.05465	3.2
93.07036	2.7
95.04978	4.2
105.03397	20.7
105.07005	3.1
107.04956	71.1
107.08642	0.7
109.06522	4.1
119.04915	0.8
119.08563	1.4
121.06516	1.8
123.95895	0.8
133.06485	4.1
134.09685	1.2
147.08023	0.9
147.44916	0.7
149.05974	15.0
159.08012	1.2
161.09566	0.9
194.11763	100.0
196.09009	0.7
205.08607	4.9
210.11285	1.1
211.11279	2.9
239.10715	1.0
249.74754	0.9
266.14716	0.7
299.16284	1.4
343.15305	5.8
349.33789	0.8
390.05078	0.7
404.58752	0.9
525.21387	8.1
718.36456	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	718.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93106	2.9
67.05499	6.7
68.71377	2.8
69.03448	3.8
69.07077	3.4
72.51801	2.8
79.05486	13.7
81.03397	3.5
81.07057	5.5
83.04970	6.1
85.79880	3.0
91.05466	15.2
92.79391	2.7
93.07030	13.8
93.77047	2.8
95.04962	13.3
95.08609	11.0
97.06487	3.9
97.44009	3.2
105.07059	24.8
107.04955	18.5
107.08572	13.6
109.06505	6.6
109.10176	4.1
111.04456	4.8
117.06963	5.2
119.08586	30.1
121.06512	16.7
121.10135	13.9
123.08030	3.3
128.06245	2.9
129.06985	5.7
131.08583	16.0
133.06467	11.9
133.10112	49.8
135.08041	19.4
137.09576	13.7
143.08549	13.4
145.06523	6.5
145.10112	17.7
147.08067	19.1
149.06042	3.6
149.09613	6.5
151.11171	5.7
155.08548	7.1
157.10126	13.6
159.08018	14.9
159.11646	14.4
161.09608	13.6
163.07541	13.0
169.10124	13.7
170.06955	3.5
171.08147	4.9
171.11731	22.7
173.09615	7.0
173.13116	4.7
177.12761	4.7
179.08530	4.0
181.10138	4.6
183.11646	10.7
185.09604	4.8
185.13231	5.4
187.11172	15.4
189.09189	3.6
189.12646	4.0
193.10117	11.6
195.11717	5.2
197.09563	4.7
197.13231	17.4
199.11261	15.0
201.12720	7.1
205.12239	6.7
207.11713	6.7
209.13237	4.0
211.11292	11.2
211.14767	4.4
215.14293	3.7
217.12263	5.1
219.11655	3.8
221.13390	3.7
225.12675	6.2
234.14043	6.7
239.14360	6.7
239.17960	4.2
244.12378	4.2
249.16386	13.2
259.14587	3.5
262.13547	4.3
267.17325	21.2
277.15884	19.7
285.18475	3.6
295.16913	100.0
313.17947	73.5
355.18918	24.3
461.23328	20.7
521.25177	15.8
567.45074	2.9
600.90802	3.1
606.27423	3.6
737.43225	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	718.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15664	0.9
59.52586	0.9
61.17704	1.0
61.81351	1.3
62.60802	0.9
68.71311	0.9
70.21183	0.9
73.59291	1.0
91.05476	75.2
93.07066	1.1
103.05421	1.8
105.07026	1.8
107.04939	2.1
110.54931	1.0
119.04932	15.2
119.08528	1.4
131.08598	1.2
131.88974	1.1
134.09650	29.8
135.08089	1.0
137.05989	1.2
145.10048	1.1
153.09102	1.7
155.08618	1.0
159.08043	1.3
167.08565	2.2
169.34619	1.2
179.08502	4.2
180.09225	1.1
181.10115	1.4
192.09332	1.9
193.10120	4.3
195.11714	2.2
204.09377	1.3
207.11752	4.7
209.13281	6.3
210.11229	100.0
219.11693	1.4
221.13242	1.3
222.10324	1.3
223.11044	1.7
225.12816	2.4
235.11142	1.3
237.12740	7.1
251.14227	1.3
252.12305	1.6
253.12186	1.5
297.14819	4.2
506.26254	1.3
507.68262	1.1
522.24976	1.7
548.26221	2.5
566.27191	7.9
582.26758	4.7
584.28320	6.6
700.32214	1.1
718.34131	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	718.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88090	0.9
67.05519	0.9
71.04987	1.3
87.40813	0.9
89.91117	0.9
91.05477	77.6
93.07008	1.5
95.04957	1.2
95.08593	2.2
97.06503	1.2
105.07053	2.3
107.04981	1.7
107.08611	5.1
109.06505	1.9
111.08047	1.6
113.00417	1.1
117.07025	1.7
119.04942	16.7
119.08593	5.1
121.10133	1.3
123.08112	1.5
125.09623	1.8
128.06245	0.9
131.08582	6.2
133.10135	1.6
134.09647	24.0
135.08035	1.8
136.51872	1.0
137.09624	1.9
143.08588	9.3
145.10147	1.7
147.08058	4.2
149.09639	1.2
153.09120	5.9
155.08582	5.0
157.10153	5.9
159.08054	1.9
159.11717	1.1
161.09630	1.7
169.10139	6.1
171.08130	1.3
171.11697	4.6
173.09656	1.2
181.08647	1.8
181.10181	4.3
182.39429	1.1
183.11661	4.2
185.09648	4.6
185.13274	1.9
194.10806	1.3
195.11717	6.1
197.09689	3.8
197.13351	3.8
199.11218	2.4
207.11748	1.2
209.13269	1.7
210.11246	81.0
211.11389	1.6
211.14928	1.8
213.12798	5.9
223.11311	1.6
223.14859	1.3
225.12720	1.3
226.59795	1.1
241.12280	2.0
265.15927	1.7
271.09702	2.5
283.16888	4.2
293.15448	1.7
293.63870	1.0
311.16385	4.0
329.17447	1.7
389.39658	1.1
472.30685	1.2
718.34302	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	718.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
52.02893	0.6
62.22573	0.7
67.05513	0.9
69.03445	1.1
70.69748	0.7
72.04492	0.8
79.05499	0.9
81.07051	1.2
87.46853	0.8
91.05481	81.9
93.07037	3.6
95.05001	1.8
95.08588	0.9
97.06529	1.7
102.57737	0.7
103.05483	3.2
104.79133	0.7
105.07029	4.5
107.04935	1.3
107.08578	1.9
109.06512	1.5
117.07028	1.5
119.04944	16.1
119.08594	6.3
121.06524	1.1
121.10133	0.8
122.28313	0.7
123.08081	1.4
125.09621	1.1
129.06975	1.4
131.04904	1.4
131.08537	5.2
133.10101	1.9
134.09645	24.3
135.08058	4.1
137.05984	3.6
143.08537	9.2
145.10168	3.5
147.04468	0.8
147.08032	5.3
149.09639	5.1
151.07562	1.2
153.09113	7.0
155.08556	3.0
156.09419	1.1
157.10136	5.5
159.08070	4.2
159.11699	1.2
161.09641	3.9
163.07588	2.9
164.10693	1.0
165.09154	0.9
167.08606	3.2
169.10083	5.9
171.08015	3.8
171.11703	3.6
173.09671	1.4
175.07538	1.4
177.09117	3.2
179.08647	0.9
179.10652	0.9
181.10130	3.7
183.08051	0.9
183.11684	3.3
185.09680	5.3
185.13237	3.4
187.11287	1.0
193.10168	0.8
195.11684	7.3
197.09560	1.8
197.13300	1.6
199.11162	3.5
206.10873	1.1
207.11823	1.8
208.60756	0.8
209.13252	1.5
210.11252	76.8
211.11372	0.9
211.14839	1.2
213.12770	3.8
221.13251	1.3
223.11243	1.5
223.14777	0.9
225.12753	1.6
237.12762	1.1
239.14365	1.1
241.12169	2.9
251.10747	0.9
252.12418	0.9
259.13327	1.1
283.16940	3.7
301.17908	1.2
311.16611	3.4
329.17474	3.6
360.01715	0.8
389.19812	1.2
491.22632	0.9
718.34271	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	718.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
57.18568	1.6
72.04468	2.3
79.05474	3.3
84.07114	1.6
88.07611	3.7
91.05435	2.3
95.08566	2.0
97.77516	1.6
105.07030	4.0
107.04943	34.3
108.11755	1.5
109.10108	2.8
119.08570	4.1
133.10114	3.2
134.09653	100.0
143.08545	4.2
145.10149	2.1
149.05960	6.6
155.08583	6.3
157.10120	4.0
159.11642	2.7
169.10139	2.7
171.11627	2.5
183.11670	3.6
193.10146	2.1
194.11772	25.5
195.11722	2.8
197.13298	2.0
207.11769	6.0
216.09964	8.6
221.13222	3.7
241.61226	1.7
248.15723	2.2
263.17950	7.8
269.41699	1.9
321.33932	1.6
404.40985	1.8
513.00934	2.3
594.34766	3.1
598.31171	6.7
636.35272	6.2
658.33478	82.6
715.94189	1.8
718.35663	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	718.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.9
61.32260	0.8
65.55592	1.0
72.37951	1.1
74.06062	1.0
79.05486	8.6
80.33744	1.0
90.86603	1.0
91.05488	1.3
93.06995	1.7
94.61032	1.1
94.71420	1.1
95.04954	1.3
105.03391	3.8
105.07027	4.6
107.04951	100.0
107.08585	1.2
119.08585	1.9
120.08105	21.6
131.04858	1.2
143.08540	4.4
147.08008	2.1
149.05986	21.0
155.08551	1.9
157.10120	1.9
165.07053	1.5
169.10123	4.5
170.33083	1.0
179.08574	8.4
180.10204	49.7
181.10112	3.7
183.11595	3.8
185.13322	4.0
188.34003	1.2
191.08549	5.0
192.09338	4.9
193.10101	5.3
195.11713	7.5
205.10133	1.4
206.10890	20.9
207.29274	1.1
211.14810	7.3
213.12756	2.1
221.13226	39.5
223.11147	1.6
231.32159	1.1
239.14252	15.2
279.17493	2.2
281.15332	1.9
283.26318	1.1
297.18329	1.2
299.16574	1.6
341.17438	1.8
460.24783	9.5
478.25980	1.6
520.26904	39.7
642.30560	15.2
695.94714	1.6
700.34894	1.5
718.36005	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	718.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85855	1.2
54.17855	1.3
62.93143	1.1
63.60254	1.2
79.05489	8.6
91.05480	3.0
93.07093	1.3
95.04925	1.3
105.03396	29.0
105.07041	3.1
107.04951	100.0
119.08521	1.8
120.08096	24.3
129.07043	1.7
131.04892	1.8
134.09668	2.5
136.07564	7.1
143.08528	2.0
149.05991	24.6
155.08632	1.4
157.10150	2.1
165.06956	1.4
169.10100	9.0
171.19255	1.3
179.08569	11.6
180.10228	52.8
183.11673	10.1
191.08560	5.8
191.57654	1.3
192.09348	7.5
193.10172	8.6
194.11853	4.9
195.11722	5.2
197.13086	1.8
205.10110	1.7
206.10901	29.3
211.14793	12.9
212.26581	1.3
221.13237	42.6
224.12314	1.3
239.14359	9.5
245.16185	1.3
281.15414	2.1
286.31189	1.2
297.15793	1.3
460.24860	8.2
582.28613	46.1
600.29608	39.3
601.99359	1.6
640.32611	1.7
658.33911	11.1
718.32159	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	718.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83723	0.9
59.72750	0.9
64.75024	0.9
69.08466	0.9
74.06075	1.0
79.05490	9.0
81.07071	1.1
91.05490	1.3
92.18562	2.0
93.07056	1.1
95.04961	1.8
100.61119	1.0
105.03396	6.1
105.07027	7.1
107.04955	100.0
109.06505	1.4
117.07020	1.2
119.08551	4.4
120.08098	22.5
129.06987	1.6
143.08604	3.4
147.08008	1.7
149.05959	20.1
154.03993	1.0
155.08546	4.7
157.10107	2.5
159.78239	1.1
161.09590	1.2
167.08546	1.9
169.10112	6.1
178.08705	1.0
179.08517	11.1
180.10214	51.9
181.10143	2.3
183.11687	6.9
185.09625	1.3
185.13217	4.1
191.08533	4.8
192.09320	5.5
193.10143	7.0
195.11702	7.0
197.13245	1.6
205.10228	2.0
206.10890	22.8
209.13161	3.5
211.14857	9.8
213.12790	1.4
221.13258	39.8
221.97505	1.1
223.11064	1.5
223.14633	1.2
239.14302	15.2
241.12257	1.5
261.16647	1.1
268.17542	1.2
279.17599	1.7
281.15305	4.8
283.16800	1.2
297.18463	4.2
299.16568	2.4
341.17584	1.3
367.37024	1.0
374.20401	1.1
460.24817	7.5
478.25916	6.4
520.26929	34.9
600.29108	1.7
642.30786	16.1
718.35815	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	718.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
62.02341	1.0
79.05509	8.7
88.95592	1.1
91.05476	2.2
91.77056	1.1
105.03383	5.2
105.07024	7.5
107.04958	100.0
109.06548	1.6
111.50750	1.2
119.08607	2.6
120.08102	20.2
121.76182	1.2
129.07095	1.6
143.08525	2.6
145.10139	1.4
147.08038	1.5
149.05992	22.8
155.08566	2.8
157.10106	4.8
159.08057	1.8
167.08578	2.2
169.10069	2.6
178.08694	1.5
179.08578	10.4
180.10225	53.1
181.10130	3.0
183.11655	4.1
185.13322	1.9
191.08609	7.5
192.09364	5.3
193.10106	7.5
195.11656	5.7
196.12404	1.5
197.13216	1.5
206.10919	18.0
209.13330	1.4
211.14806	7.3
213.12624	1.7
220.12389	1.5
221.13246	42.5
223.11034	1.5
239.14297	14.8
250.03868	1.2
269.19052	1.5
279.17401	2.1
281.15448	2.8
284.53177	1.2
297.18515	4.8
299.16370	2.1
350.71112	1.5
397.20456	1.3
460.24539	12.0
478.25867	4.7
520.26874	37.2
642.30841	16.4
718.35864	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54146	1.5
74.07585	1.4
79.05486	10.6
81.07052	1.8
81.53755	1.7
91.05484	2.9
95.04974	2.4
105.03398	30.2
105.07024	3.7
107.04951	100.0
112.98035	1.6
117.85454	1.7
119.08524	2.1
120.08083	24.7
129.07010	2.6
131.04852	2.1
131.08673	2.3
136.07565	7.3
143.08540	2.4
149.05983	27.9
155.08553	2.2
155.27844	1.6
169.10144	7.7
178.08728	3.0
179.08548	13.4
180.10207	63.5
181.10146	2.4
183.11671	10.4
183.23360	1.6
191.08611	4.2
192.09357	2.7
193.10176	10.7
195.11711	4.0
206.10878	30.1
211.14844	14.3
221.13245	45.5
223.14740	2.0
239.14214	14.8
299.16724	2.4
306.82761	1.7
403.18927	2.5
460.24805	10.5
529.81268	2.1
582.28473	42.2
600.29492	50.1
640.32794	3.8
658.33392	16.1
718.31940	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	719.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20842	10.6
61.02916	15.9
67.05489	60.5
69.07066	12.2
78.94852	11.3
79.05476	61.5
81.07043	51.9
91.05468	27.8
93.07032	81.3
95.08588	49.6
105.03399	23.4
105.07029	80.9
107.08560	18.7
119.08555	31.1
129.06990	18.5
133.10106	50.7
134.84032	12.3
135.11676	12.8
147.11667	66.4
159.11655	18.5
161.13083	13.9
163.60759	12.4
171.11670	23.1
173.51662	12.0
241.19530	14.2
259.20547	25.3
265.19208	12.4
279.16196	13.6
281.17471	26.5
302.62552	13.3
342.91907	12.8
356.28604	15.1
431.95157	12.8
447.32730	13.4
475.21286	11.9
539.37048	100.0
557.38202	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	719.4363
Annotation	CHEBI:69160
Peak:m/z	Relative Intensity
50.45401	4.8
53.21706	5.1
54.43556	5.4
55.05527	7.1
57.03431	6.1
57.30154	4.9
57.99002	5.4
67.05515	64.7
79.05502	53.8
81.07054	60.8
83.08630	8.4
91.05481	55.6
91.74403	7.1
92.69209	6.7
93.07051	65.3
95.04967	10.8
95.08596	25.6
97.06502	6.5
97.10168	7.6
97.20058	6.4
99.85944	6.1
100.67645	6.1
105.07027	44.0
107.08563	23.4
109.10201	11.4
117.07040	10.3
119.08528	43.9
121.10130	13.8
129.06958	13.2
133.10138	45.9
135.11710	11.5
145.10155	33.5
147.11671	37.7
157.10103	9.3
161.13229	22.5
169.10104	12.2
171.11668	26.1
179.03288	6.6
185.13234	25.0
197.13242	7.9
235.96669	7.4
249.73962	6.1
259.20627	32.4
281.17542	27.4
409.81781	6.4
529.39221	7.7
539.37396	100.0
557.38635	51.1
576.64978	7.2
701.42828	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	720.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32245	1.5
72.05028	1.8
72.72694	1.5
79.05496	1.8
91.05501	1.9
95.04949	6.5
95.08592	1.7
103.05463	4.2
105.03394	67.2
105.04479	3.5
105.07020	9.3
107.04978	7.6
107.08638	1.9
108.43983	1.7
119.08621	3.6
131.04933	39.2
135.08041	2.4
147.08136	1.9
155.08528	2.9
159.07990	1.9
167.08563	8.5
168.09332	3.2
169.10074	7.8
173.09631	2.2
177.09111	8.4
179.08575	12.4
180.09323	3.6
181.10083	22.9
183.11745	4.0
190.19792	1.7
193.10129	8.6
194.11005	8.8
195.11685	11.5
197.09618	2.1
206.11015	1.9
207.11655	8.1
209.09602	2.1
209.13249	48.3
211.11098	3.1
219.11681	6.8
220.12517	3.6
221.13275	2.9
222.10341	7.0
233.13440	1.8
234.14044	2.6
235.11180	2.6
237.12711	100.0
249.16350	8.4
253.12218	3.1
253.16031	2.8
255.13756	12.2
262.13635	2.3
267.17462	2.2
277.15811	17.4
295.16827	16.3
297.14859	27.1
313.17975	2.6
355.19177	7.3
359.16248	6.7
385.18011	2.3
419.18707	2.0
445.20224	3.5
518.95013	2.2
720.40057	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	720.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73358	1.8
69.22534	1.7
70.93621	2.1
81.07059	2.6
84.87965	1.7
95.08604	2.3
119.04964	9.9
144.75011	2.0
147.04414	100.0
163.27788	2.0
207.95784	2.1
251.20024	2.9
417.26422	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	721.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72492	3.2
79.05488	4.8
79.74953	3.3
80.32677	3.2
91.05487	4.3
95.04978	6.1
105.03391	46.1
105.07037	12.7
107.08690	3.6
119.08568	4.9
121.06467	3.9
133.10094	6.1
143.08609	5.5
155.08612	4.1
157.10068	4.0
169.10077	5.4
171.11694	6.7
181.10146	7.3
183.11766	4.7
185.13448	3.4
193.10153	12.6
195.11728	7.3
197.13329	6.4
207.11815	14.2
209.09669	5.7
211.11160	4.0
223.11235	3.9
234.13983	6.4
235.14847	5.8
249.16544	8.3
265.15894	4.0
277.15875	6.9
295.17044	4.4
337.17929	4.8
494.42297	4.0
598.05499	3.7
601.23956	14.6
627.26337	3.6
629.64221	3.9
661.26233	100.0
689.16876	4.5
721.28174	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55829	7.7
55.05505	13.1
67.05504	69.9
69.03421	13.6
69.07053	16.5
71.04990	38.9
76.04800	8.2
79.05491	40.0
81.03405	44.5
81.07047	100.0
82.33610	6.8
91.05466	35.3
93.07047	64.2
95.08608	44.6
97.02904	7.6
97.10164	10.1
105.07025	31.3
107.08585	49.6
109.10118	13.9
117.07015	10.7
118.90785	8.4
119.08555	47.1
121.10149	16.1
123.11666	37.3
130.05501	7.4
131.08542	33.2
133.10110	47.1
135.11702	17.5
143.08609	27.0
145.10129	31.2
147.07970	8.0
147.11641	17.1
149.13223	12.7
151.11215	11.8
157.10150	13.0
159.11700	38.0
161.13249	13.3
169.10097	11.8
171.11707	13.5
183.32321	7.3
185.13223	15.4
199.14896	8.9
241.15390	8.1
243.33000	9.0
259.20407	12.1
265.00754	8.2
281.11359	8.5
366.72226	8.8
501.35571	16.7
503.37283	58.8
527.37421	55.3
638.33191	7.7
671.41138	18.0
685.42664	10.2
689.42816	37.4
703.43842	18.1
721.44019	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.1
55.85241	3.8
57.03440	5.8
58.10093	3.9
67.05502	44.4
67.20338	4.0
69.07065	7.3
79.05502	49.4
81.07053	55.9
91.05491	28.2
93.07048	63.8
95.08588	28.2
103.85097	4.6
105.07044	24.2
107.08582	19.0
109.10155	8.8
111.83346	4.5
117.07011	8.6
119.08577	11.3
121.10133	9.2
129.06963	5.5
145.10136	8.8
147.11690	19.3
171.11664	8.6
200.81143	5.0
222.42114	5.2
257.98157	4.8
261.22330	4.5
281.17484	32.9
352.35693	5.2
529.66278	5.4
541.38916	100.0
559.39856	6.9
709.26257	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	722.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07417	0.9
53.03960	1.2
56.28212	0.8
58.00632	0.7
63.62181	0.7
68.36670	0.8
75.63507	0.8
86.86794	0.9
91.05483	1.9
93.07033	1.7
95.04976	7.8
105.03395	100.0
105.04531	3.7
105.07052	3.9
107.08607	1.4
119.04951	1.1
119.08553	1.6
121.06519	1.9
123.08085	4.7
129.07040	1.0
133.06496	1.8
133.10150	0.9
135.08067	5.4
138.20674	0.9
145.06458	2.1
145.39903	0.9
147.08040	4.0
149.05986	1.5
151.07495	1.1
153.09122	2.0
157.10208	0.9
159.08095	1.3
161.05942	1.7
165.09084	1.3
169.10085	1.2
171.11676	1.3
175.07584	1.8
179.08597	1.2
180.09299	1.1
181.10086	1.4
183.11699	1.0
185.09644	1.3
193.10205	1.5
195.08087	1.4
195.11797	1.2
196.08778	1.7
197.09528	1.3
199.11076	1.8
209.09639	3.8
209.13283	1.8
211.11183	4.5
213.09056	1.4
213.12671	1.2
218.10880	1.0
221.09711	1.4
221.13290	1.1
222.10251	1.7
223.11241	1.7
225.09172	1.7
225.12773	2.1
227.10623	1.8
233.13261	1.0
235.11191	1.8
236.11880	1.9
237.12831	3.5
239.10602	1.7
239.14151	0.9
241.12013	1.4
243.10052	0.9
246.10475	1.3
248.11790	1.2
249.09200	2.2
249.12781	1.5
250.09982	1.1
251.14330	5.8
253.12228	3.8
255.10077	1.3
255.13812	5.6
257.11633	1.0
261.12744	3.8
264.11395	1.5
265.12250	3.8
267.13681	1.4
269.15332	1.5
277.12494	1.0
279.13721	8.8
281.11725	8.0
283.13162	1.3
292.10980	4.6
295.13272	4.0
297.14841	5.0
307.13275	9.0
324.13858	0.9
325.14432	6.4
329.17853	1.2
343.15399	1.7
367.15268	4.1
385.16507	4.7
427.16968	1.4
445.18405	1.6
505.21005	6.8
549.20782	3.6
567.22290	48.1
591.00421	1.2
627.23743	3.4
669.25488	3.2
687.26184	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	722.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80590	0.6
50.83603	0.5
60.15456	0.5
77.03944	0.7
79.05472	0.7
91.05478	66.4
93.07050	1.0
95.04950	3.9
103.05450	2.3
105.03397	19.7
105.07016	3.5
107.08631	0.8
107.55889	0.5
109.06489	0.7
119.04933	11.5
119.08578	1.2
120.08094	23.9
121.06492	2.7
121.10133	0.9
131.08559	1.2
133.06534	0.9
133.10124	1.4
140.82939	0.6
143.08556	1.3
145.10162	1.2
149.05937	1.3
149.09663	0.8
155.08516	0.8
157.10126	1.0
159.08061	1.0
159.45349	0.6
161.09599	0.8
165.05487	0.8
167.08592	0.6
169.10132	2.7
171.08073	1.1
171.11688	1.1
173.09624	1.3
179.08664	0.7
181.10091	2.4
183.11635	1.2
185.09561	0.7
187.07500	0.8
187.11147	0.7
193.10170	2.5
195.11600	1.3
196.09694	100.0
197.09622	1.1
199.11208	1.5
206.10921	1.0
209.09512	0.8
211.11156	1.0
213.12799	0.7
220.12477	0.9
221.13242	0.8
224.12045	0.6
225.12549	0.6
227.10710	0.8
233.09686	0.7
235.14915	0.9
239.14252	2.4
248.11966	2.3
249.12823	1.0
251.14319	0.9
253.16081	0.8
259.13391	1.3
263.14343	2.9
281.15421	2.7
291.13803	0.8
309.14777	1.4
316.65842	0.6
327.15945	2.6
430.68765	0.8
509.21390	0.7
622.49310	0.8
661.23132	0.6
723.06775	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	722.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66434	1.1
91.05482	68.6
92.18523	1.9
93.07041	1.6
95.04992	1.2
103.05517	1.3
104.04100	1.1
105.03398	19.4
105.07011	5.2
106.32375	1.1
107.08617	1.3
119.04936	13.5
120.08093	22.8
120.64779	1.0
121.06524	1.6
122.67185	1.2
133.06483	2.3
133.10141	1.7
157.12593	1.1
159.08173	1.1
169.10104	1.5
171.08012	2.2
171.11713	1.9
173.09613	1.1
181.10176	2.1
183.11664	1.6
187.51991	1.2
193.10109	1.8
196.09695	100.0
199.10931	1.0
206.10942	1.4
211.11247	1.6
220.12550	1.9
250.17900	1.3
267.13699	1.3
281.15323	2.1
309.15179	1.8
327.15976	2.0
407.10843	1.2
419.88580	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	722.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28309	0.5
77.37117	0.5
79.05498	0.5
81.07047	0.7
91.05476	68.3
93.07054	2.5
95.04958	2.7
95.08625	0.7
103.05466	2.2
104.05016	0.6
105.03395	18.9
105.07018	3.1
107.04990	0.6
107.08588	1.2
119.04920	11.4
119.08549	1.0
120.08094	21.9
120.12553	0.6
121.06493	3.4
121.10103	1.1
123.08091	0.7
133.06505	2.3
133.10115	0.9
143.08582	1.2
145.06445	0.9
147.08037	1.1
149.05988	0.7
149.09717	1.0
155.08543	1.0
157.10081	1.1
159.08070	1.0
161.09607	0.9
167.08569	0.7
169.10098	1.4
171.08061	1.3
173.09576	1.0
176.00330	0.6
179.08490	0.7
180.09335	0.9
181.10107	0.8
183.11726	1.3
185.09647	0.8
187.07549	0.8
193.10115	2.7
194.10901	0.6
195.11711	3.0
196.09685	100.0
197.09575	1.1
199.11147	1.3
206.10770	0.9
207.11694	1.0
209.09618	0.9
211.11105	2.3
213.12776	0.8
220.12495	2.2
221.13213	0.8
223.11166	2.1
227.10709	0.9
235.14716	1.2
237.12686	1.1
238.13560	0.6
241.12209	0.7
248.12109	0.9
249.12625	0.7
253.15814	1.2
263.14337	3.6
266.13116	0.7
267.13852	1.1
275.10205	0.7
281.15335	3.5
287.12558	1.1
291.13733	0.8
309.14737	3.2
327.15887	2.6
451.72479	0.7
509.21509	1.2
623.33655	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	722.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55001	0.5
91.05479	68.0
103.05475	1.4
105.03410	7.4
119.04932	12.9
121.06474	0.9
123.36774	0.6
128.62355	0.5
134.09647	18.5
143.08536	1.1
154.07605	0.6
166.95583	0.6
167.08554	0.6
169.10175	0.9
179.08572	1.3
181.10072	0.6
183.11621	0.9
194.56538	0.8
197.13274	0.7
209.13283	2.9
210.11250	100.0
211.11223	1.1
223.11134	0.7
232.04376	0.5
237.12668	1.0
252.12257	2.3
255.14001	0.9
308.40344	0.6
446.23303	2.8
464.24149	4.4
469.83002	0.7
568.26959	1.1
586.28149	7.4
722.35315	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	722.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79716	0.4
60.29238	0.4
60.50420	0.5
63.37130	0.4
63.73731	0.4
73.82912	0.4
78.04618	0.5
91.05479	72.3
95.04918	0.5
103.05450	3.1
105.03390	3.6
105.07011	2.1
107.04880	0.6
119.04948	14.1
119.08551	0.6
121.06497	1.0
129.43365	0.5
129.73763	0.5
134.09648	18.3
143.08549	0.8
152.54222	0.5
165.07001	1.0
169.10194	0.6
171.11682	0.6
179.08578	1.1
180.09354	0.9
181.10060	0.6
183.11636	0.6
193.10149	1.1
209.13240	2.1
210.11246	100.0
237.12772	2.1
239.14175	0.6
244.12456	1.1
252.12283	0.9
255.13795	1.1
313.18213	1.0
446.23398	1.0
464.24323	10.3
524.26331	0.6
586.27716	2.8
722.35254	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	722.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97620	0.5
57.84831	0.5
71.46830	0.5
86.59820	0.7
91.05477	69.9
103.05447	2.2
105.03387	4.5
105.07046	0.6
105.31892	0.5
107.08628	0.6
119.04940	12.5
119.08550	0.7
134.09644	20.4
148.71225	0.6
149.19333	0.6
165.05576	0.6
169.10182	1.2
179.08527	1.1
184.87515	0.7
194.10753	0.7
207.11682	0.7
209.13260	2.4
209.34151	0.6
210.11243	100.0
211.11226	1.2
237.12823	0.7
252.12350	2.6
255.13882	1.1
285.90271	0.6
324.82083	0.6
446.23169	4.4
464.23984	4.7
509.80692	0.6
568.27002	1.1
586.28113	9.4
722.35309	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50165	0.5
52.96487	0.4
70.45357	0.5
70.78998	0.6
81.03407	0.6
91.05476	69.1
95.08561	0.9
103.05457	1.4
105.03410	4.5
105.07008	1.1
107.08591	0.7
119.04939	14.0
119.08545	1.1
132.04189	0.6
133.10095	0.8
134.09645	19.9
145.10123	1.0
155.08501	0.7
165.05467	0.7
169.10115	2.6
172.67461	0.7
179.08566	1.4
181.10115	1.3
193.10193	0.8
194.10912	1.3
206.51187	0.6
207.11656	0.8
209.13190	2.2
210.11240	100.0
227.10579	0.7
227.14198	0.7
237.12721	0.8
244.12540	0.9
245.19032	1.0
252.12459	0.7
255.13733	1.0
303.23236	0.9
313.18060	1.1
446.23138	0.7
464.24286	12.2
586.27814	3.1
722.35388	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	722.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51592	0.3
55.07521	0.3
56.67577	0.3
60.08163	5.4
71.07357	0.7
85.23530	0.4
86.09703	25.4
86.38431	0.3
93.33749	0.4
98.98417	0.4
104.10730	0.4
124.99990	12.6
128.44362	0.3
140.73019	0.4
184.07330	100.0
291.01541	0.4
408.70197	0.5
642.52637	0.4
690.47760	0.6
722.49677	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	724.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64337	3.1
55.80336	2.4
56.69114	2.9
63.06382	2.4
63.90364	2.7
66.19162	3.4
72.04507	7.3
73.74689	3.0
83.05011	4.1
91.05481	19.4
93.07011	4.3
95.08559	4.6
98.62103	2.8
99.73532	2.9
105.07037	37.4
106.04561	3.1
107.08520	3.8
117.06969	3.9
119.04933	69.4
119.08549	16.1
121.06556	4.7
121.10136	13.9
133.10156	3.7
134.09610	41.7
143.08537	4.4
145.10152	14.1
147.04413	96.4
149.09583	3.8
155.08559	3.8
157.10098	7.6
167.08598	5.0
169.10162	4.6
171.11647	6.7
180.09424	3.1
181.10094	19.1
183.11656	25.6
185.09589	3.7
189.05411	3.8
192.10133	4.6
193.10130	6.3
195.07999	3.6
195.11694	38.6
196.12450	6.6
199.11130	6.9
207.11673	11.3
208.12454	6.1
209.09608	7.0
209.13197	22.9
211.11229	3.2
211.14772	50.0
213.16362	29.1
221.13223	5.4
222.14049	13.6
223.11122	13.9
223.14809	14.1
227.14287	5.7
232.12366	5.2
236.11894	3.9
236.88808	3.4
237.16335	42.4
239.14249	14.2
241.12195	3.8
247.14847	5.4
252.12309	100.0
255.17355	33.1
265.15839	43.5
267.13828	6.1
283.16974	36.4
293.15393	23.7
301.17819	4.2
306.47150	4.0
311.16403	22.1
325.17953	21.1
327.15894	3.8
329.17288	4.0
353.17575	5.9
371.18463	31.8
413.19641	23.7
465.81442	3.7
724.34009	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	724.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64337	3.1
55.80336	2.4
56.69114	2.9
63.06382	2.4
63.90364	2.7
66.19162	3.4
72.04507	7.3
73.74689	3.0
83.05011	4.1
91.05481	19.4
93.07011	4.3
95.08559	4.6
98.62103	2.8
99.73532	2.9
105.07037	37.4
106.04561	3.1
107.08520	3.8
117.06969	3.9
119.04933	69.4
119.08549	16.1
121.06556	4.7
121.10136	13.9
133.10156	3.7
134.09610	41.7
143.08537	4.4
145.10152	14.1
147.04413	96.4
149.09583	3.8
155.08559	3.8
157.10098	7.6
167.08598	5.0
169.10162	4.6
171.11647	6.7
180.09424	3.1
181.10094	19.1
183.11656	25.6
185.09589	3.7
189.05411	3.8
192.10133	4.6
193.10130	6.3
195.07999	3.6
195.11694	38.6
196.12450	6.6
199.11130	6.9
207.11673	11.3
208.12454	6.1
209.09608	7.0
209.13197	22.9
211.11229	3.2
211.14772	50.0
213.16362	29.1
221.13223	5.4
222.14049	13.6
223.11122	13.9
223.14809	14.1
227.14287	5.7
232.12366	5.2
236.11894	3.9
236.88808	3.4
237.16335	42.4
239.14249	14.2
241.12195	3.8
247.14847	5.4
252.12309	100.0
255.17355	33.1
265.15839	43.5
267.13828	6.1
283.16974	36.4
293.15393	23.7
301.17819	4.2
306.47150	4.0
311.16403	22.1
325.17953	21.1
327.15894	3.8
329.17288	4.0
353.17575	5.9
371.18463	31.8
413.19641	23.7
465.81442	3.7
724.34009	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	724.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94139	0.9
51.97622	0.9
55.67933	1.0
67.05506	4.9
74.06059	1.8
79.05486	2.3
81.03416	2.0
81.07066	2.4
83.04952	1.7
88.03844	1.0
91.05463	4.2
93.07059	8.4
95.04963	11.8
95.08587	5.8
100.52584	1.2
103.05457	2.2
105.07023	8.8
107.04942	10.6
107.08586	12.0
109.10152	2.4
117.07022	2.9
119.08596	11.9
120.08099	65.0
120.28154	1.1
121.10141	5.6
130.07764	1.4
131.04926	33.3
131.08575	1.8
133.10143	19.8
135.08044	32.1
143.08592	4.8
145.10106	10.5
147.11687	6.3
149.06007	1.2
155.85129	1.2
157.10104	2.8
159.11656	2.9
161.09615	6.8
163.11201	1.1
171.11685	2.4
173.13286	2.4
180.10318	1.2
185.13252	1.4
195.11867	1.3
197.13219	1.9
199.15005	1.6
209.13252	2.9
223.14883	5.0
265.19452	2.7
283.20615	2.2
300.46048	1.2
310.95615	1.3
322.20892	1.2
500.26865	1.2
622.37524	2.2
664.37860	2.8
724.40485	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	724.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94139	0.9
51.97622	0.9
55.67933	1.0
67.05506	4.9
74.06059	1.8
79.05486	2.3
81.03416	2.0
81.07066	2.4
83.04952	1.7
88.03844	1.0
91.05463	4.2
93.07059	8.4
95.04963	11.8
95.08587	5.8
100.52584	1.2
103.05457	2.2
105.07023	8.8
107.04942	10.6
107.08586	12.0
109.10152	2.4
117.07022	2.9
119.08596	11.9
120.08099	65.0
120.28154	1.1
121.10141	5.6
130.07764	1.4
131.04926	33.3
131.08575	1.8
133.10143	19.8
135.08044	32.1
143.08592	4.8
145.10106	10.5
147.11687	6.3
149.06007	1.2
155.85129	1.2
157.10104	2.8
159.11656	2.9
161.09615	6.8
163.11201	1.1
171.11685	2.4
173.13286	2.4
180.10318	1.2
185.13252	1.4
195.11867	1.3
197.13219	1.9
199.15005	1.6
209.13252	2.9
223.14883	5.0
265.19452	2.7
283.20615	2.2
300.46048	1.2
310.95615	1.3
322.20892	1.2
500.26865	1.2
622.37524	2.2
664.37860	2.8
724.40485	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	725.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77886	0.7
59.68961	0.7
60.81553	0.8
67.05497	3.0
69.03425	0.9
69.07091	1.0
79.05470	1.5
81.03420	3.5
81.07053	3.3
83.42728	0.7
91.05460	1.3
93.07026	3.7
95.08608	1.9
97.02863	1.2
105.07037	0.9
107.08612	1.3
109.02876	1.1
119.08562	1.4
120.46829	0.8
121.10114	1.5
131.08560	1.1
135.11705	1.0
163.22385	1.1
168.09338	0.8
172.66788	0.7
221.04709	0.7
261.46671	0.8
303.04965	100.0
387.32730	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	725.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36621	0.8
52.33380	0.8
59.83118	1.0
78.52757	1.1
81.51121	0.9
141.97922	0.9
159.64848	1.0
186.26709	1.1
233.84485	1.2
309.20364	2.4
439.24683	6.6
548.21210	1.1
666.41962	1.0
725.45880	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	726.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	4.8
68.31361	0.6
72.04516	31.8
73.77752	0.7
74.06091	0.8
76.17737	0.8
91.05479	29.2
103.05444	1.2
105.07025	1.7
107.04948	1.6
119.04933	20.9
119.08553	3.4
129.07004	0.8
131.08545	0.9
133.06479	1.0
133.10101	1.0
134.09650	96.4
135.08044	1.3
135.09984	4.3
142.07739	0.8
143.08533	1.4
147.06097	3.3
147.08025	1.3
157.10039	1.6
161.09402	0.8
164.10699	100.0
165.11075	1.7
189.12335	0.7
192.10202	11.3
194.11748	1.5
200.25757	0.9
210.11247	7.3
211.11592	1.2
212.60132	0.8
217.10312	1.4
221.13208	1.1
236.11003	3.1
380.06177	0.8
407.11835	0.8
449.78693	0.8
606.28247	1.1
666.19513	1.8
666.30859	45.6
726.33264	3.0
743.48883	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	726.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	3.4
72.04515	30.7
74.06078	2.8
91.05474	31.8
94.15907	0.7
95.63035	0.7
105.07024	3.6
119.04077	0.9
119.04938	22.5
119.08570	3.9
121.06579	0.8
131.08571	0.9
133.06558	0.7
133.69075	0.9
134.09648	96.1
135.08017	1.9
135.09981	1.5
143.08583	1.1
147.06117	4.0
147.08041	0.9
157.10081	3.1
164.10698	100.0
165.11037	1.1
169.10086	1.0
192.10213	13.2
210.11237	7.5
211.11168	0.8
217.10370	1.8
219.20380	0.7
235.11292	1.1
236.10770	1.5
247.14827	0.8
258.39844	0.8
337.15997	0.9
666.30853	46.9
726.32764	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	726.348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48035	0.6
57.67011	0.6
58.06589	2.9
66.68324	0.6
72.04517	15.4
86.68010	0.6
91.05476	24.0
93.07034	0.9
99.48931	0.6
105.07027	4.6
106.06549	0.7
107.04942	2.7
107.08582	2.7
109.06476	0.6
119.04935	21.9
119.08567	2.4
121.10136	3.1
125.93523	0.6
131.08533	1.4
133.10159	0.7
134.09650	43.4
135.08058	4.2
143.08586	2.5
146.95660	0.7
147.11722	0.6
155.08507	1.1
157.10123	2.8
159.11656	0.8
164.10695	100.0
166.08687	1.3
169.10133	1.1
177.09016	0.8
183.11688	6.6
192.10228	7.3
193.10077	1.3
195.11700	0.9
197.13246	1.3
207.11705	3.7
209.13257	1.4
210.11240	9.2
211.14783	1.1
221.13257	0.9
227.14384	1.1
234.14020	0.7
239.17978	3.3
249.16364	5.4
267.17441	9.6
277.15887	1.1
285.18451	2.8
368.98001	0.7
413.62167	0.6
450.46600	0.7
486.02545	0.7
486.72946	0.8
606.30615	1.1
624.31531	10.9
666.32532	7.0
726.35065	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	726.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97809	0.3
58.06598	3.4
70.18781	0.4
72.04134	0.7
72.04517	17.1
73.61443	0.5
74.06077	0.8
81.07061	0.6
82.71421	0.5
83.08611	0.8
91.05481	29.6
93.07035	1.2
95.08596	0.9
105.07030	3.9
107.04951	4.5
107.08595	3.1
107.78794	0.5
108.80746	0.5
109.06462	0.9
119.04929	23.2
119.08563	3.7
121.06532	0.8
121.10151	3.4
131.08572	1.1
133.08922	0.8
133.10110	2.3
134.09651	45.5
135.08044	3.5
137.09653	0.8
142.07761	0.5
143.08507	1.9
145.10115	1.2
147.04408	2.5
147.07945	0.5
148.11249	0.8
149.09601	0.8
155.08548	0.7
157.10136	2.7
159.11673	1.0
164.10704	100.0
168.09419	0.8
169.10153	1.1
171.11665	0.9
177.09126	0.6
181.08574	0.6
181.10118	1.0
183.11684	5.5
192.10258	6.0
193.10069	2.0
194.11839	3.7
195.11681	0.9
197.13255	2.3
199.11186	0.7
207.11674	3.1
209.13290	2.2
210.11266	11.1
211.11246	1.2
211.14716	1.9
220.12274	0.8
221.13329	0.6
234.14058	1.2
239.18056	0.5
249.16388	6.1
252.12213	2.3
265.10657	0.6
267.17416	8.2
277.15762	0.9
285.18646	2.7
295.16803	0.9
309.18372	0.6
355.18988	0.8
471.29498	0.6
570.15393	0.6
606.30334	1.0
624.31573	9.5
666.32751	8.9
726.34985	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	726.348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78978	0.4
69.03423	0.7
79.05474	1.1
81.07018	0.6
82.01037	0.5
91.05478	88.3
92.18534	0.5
92.48166	0.5
93.07037	0.9
95.08578	0.9
97.06498	0.6
103.05437	3.1
105.07016	1.0
107.04936	0.6
109.06509	0.7
113.62305	0.5
117.07012	0.5
119.04933	19.5
119.08591	4.1
121.06443	0.7
121.10159	0.5
123.04426	0.4
123.08006	2.1
129.07018	1.6
131.04939	0.7
131.08514	1.8
133.06447	2.0
133.10158	1.6
134.09647	20.6
135.08052	2.8
137.05991	0.5
137.09651	0.7
141.06932	0.5
143.08534	3.3
145.10095	2.2
147.04295	0.7
147.07988	2.1
147.11649	1.0
149.09578	1.1
155.08511	2.5
157.10118	1.1
159.08093	0.7
161.09581	1.1
167.08572	0.5
169.10092	2.9
171.08008	0.7
171.11662	2.4
173.09695	0.8
179.08566	0.7
181.10135	0.9
183.08040	0.5
183.11670	2.7
185.09543	0.9
187.11240	0.5
193.10101	1.8
194.10727	0.6
195.11649	2.0
197.09627	0.8
197.13136	1.6
199.11113	0.5
205.10118	0.8
207.11714	2.5
209.13278	2.5
210.11247	100.0
211.11137	2.3
211.14812	0.7
213.12767	0.8
215.10606	0.6
219.11714	0.5
220.12450	1.1
223.11227	0.6
225.12753	2.3
225.16481	0.5
234.13971	0.7
235.14815	2.5
237.12755	0.8
244.12395	0.5
247.11136	0.5
249.16388	2.7
249.18800	0.5
252.12279	2.0
253.15865	1.8
267.17297	3.3
277.15854	3.0
295.16919	7.2
313.17957	4.2
337.17999	1.0
355.19089	2.9
360.30188	0.5
373.20178	0.9
415.21198	0.9
441.77991	0.5
449.86862	0.6
517.24323	1.8
684.21277	0.5
726.34778	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
58.57967	0.6
61.31985	0.5
62.41311	0.6
65.03954	0.7
67.05509	0.9
69.47277	0.6
79.05493	3.0
81.07051	0.9
91.05478	83.8
93.07033	0.8
95.04971	2.5
95.08576	0.7
97.06532	1.2
103.05460	2.8
105.07022	3.2
107.04938	1.3
107.08602	2.8
107.34574	0.7
107.49855	0.6
109.06529	1.4
119.04943	19.4
119.08607	5.6
121.06469	0.9
121.10152	0.9
123.08056	1.4
128.06294	0.8
129.06976	2.4
131.08572	3.1
133.06474	1.4
133.10150	2.9
134.09653	53.6
135.08087	2.4
137.09685	1.2
137.32346	0.7
143.08543	4.9
145.10094	1.3
147.04362	1.4
147.08052	3.2
149.09633	1.1
155.08611	1.2
157.10146	3.0
159.08102	2.6
159.11711	0.7
161.09647	2.6
163.07524	0.7
165.06808	0.7
165.09103	0.9
167.08572	1.2
168.09390	0.6
169.10185	3.3
171.11737	2.6
173.09732	1.0
175.07605	0.9
179.08571	0.6
181.10149	1.4
183.11639	2.3
185.09648	0.8
185.13226	0.7
187.11168	0.8
193.10179	3.2
195.11748	3.4
199.11250	0.9
205.10226	0.7
206.10892	0.9
207.11728	4.9
209.13254	1.3
210.11244	100.0
211.11206	2.8
213.12788	1.1
219.11594	1.0
220.12491	1.2
221.13344	1.0
223.11324	1.3
225.12741	3.1
225.16370	1.1
229.11914	0.9
234.14095	3.7
235.11270	1.0
235.14886	2.7
237.12616	1.0
239.14403	0.9
248.68993	0.8
249.16290	4.6
251.14465	0.8
252.12321	3.5
253.12439	1.1
253.15756	2.4
262.13580	1.0
265.15805	0.8
267.14749	0.9
267.17514	5.0
277.15964	3.7
295.16916	10.5
313.17859	4.9
337.18073	0.7
355.18973	4.4
373.20105	0.9
397.20346	0.8
415.21085	1.4
488.61310	0.7
517.24323	1.0
564.29370	4.4
624.31647	1.0
666.32367	1.4
726.34827	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50760	0.6
58.06597	4.0
64.02853	0.6
65.03936	0.7
65.11988	0.5
72.04514	15.0
74.06033	0.9
77.18311	0.6
77.46162	0.7
78.49277	0.6
91.05473	29.0
92.17828	0.7
93.07018	0.7
95.08561	1.1
105.07028	4.4
107.08580	3.5
119.04932	22.1
119.05740	1.0
119.08562	1.3
121.06501	1.3
121.10136	3.3
123.08035	0.7
131.08565	1.4
133.10120	1.5
134.09648	41.0
135.08032	5.0
143.08601	1.0
145.10078	1.1
148.11163	1.0
155.08527	0.9
157.10132	1.2
159.11722	0.9
164.10695	100.0
169.10095	1.5
171.11615	0.9
181.10158	1.1
183.11670	5.7
192.10204	5.0
193.10110	1.5
195.11769	0.7
199.11180	1.0
207.11685	3.7
209.13213	1.7
210.11229	9.0
218.46600	0.8
220.12476	0.7
221.13144	0.8
223.14737	1.0
239.18051	1.4
249.16422	5.5
267.17337	7.7
277.15762	1.2
285.18539	1.3
295.16693	0.7
309.18326	1.0
355.19318	0.7
369.77008	0.8
496.38904	0.7
606.30048	0.9
624.31799	10.3
642.47662	0.8
654.87592	0.7
666.32715	9.8
676.76587	0.8
726.34344	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	726.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14514	3.7
59.72224	4.5
60.98505	3.8
71.08619	52.9
72.60161	4.3
73.79055	3.7
79.05486	7.3
80.45531	4.4
87.55646	5.1
91.05471	87.5
93.07041	24.2
95.04948	5.1
95.08609	10.4
99.08096	43.8
105.07017	25.2
106.06555	9.4
109.06492	5.9
116.10728	64.1
118.06516	46.2
119.04955	38.0
121.06481	24.3
121.10123	9.9
131.08546	6.7
133.06496	45.2
133.10114	58.0
136.07579	88.5
145.06425	6.7
147.04407	4.9
147.08052	7.0
149.06000	25.6
149.09615	10.3
151.11185	9.6
159.08061	5.9
161.05994	9.5
161.09601	9.5
164.07068	5.3
165.05453	8.0
175.28841	4.9
182.08168	43.7
183.11765	5.1
195.11705	5.6
197.09483	6.2
210.24297	4.5
211.11203	7.5
211.23463	4.4
213.12769	5.3
234.14830	34.1
236.11929	4.4
253.15892	9.2
262.14313	29.8
263.14258	8.9
265.16278	5.2
272.28323	4.4
280.15402	100.0
281.15356	34.7
299.16177	6.2
322.16425	8.4
327.15872	17.6
341.17310	11.1
387.18091	23.1
405.19370	6.3
447.20300	18.1
680.18573	5.2
707.33612	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	726.348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27733	11.3
62.62023	9.4
72.04515	84.8
76.82174	10.4
95.08575	14.4
95.81961	12.7
103.05463	17.0
104.82895	10.8
107.10882	11.4
119.08600	11.0
120.23190	10.5
131.04897	28.4
134.09647	100.0
164.93338	10.9
167.08528	14.7
187.71278	11.2
192.10202	45.8
237.12746	12.5
238.64098	12.0
251.17914	20.6
261.16403	50.3
279.17474	58.0
304.35437	11.5
357.20514	13.4
483.80798	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	726.3486
Annotation	2'-Deacetylaustrotaxine
Peak:m/z	Relative Intensity
57.53799	0.5
59.32552	0.6
72.04514	26.7
74.06109	0.6
79.00691	0.6
81.07053	0.7
83.22504	0.7
90.52121	0.6
91.05468	10.6
91.05947	0.7
93.07040	1.2
105.07015	4.7
107.04971	3.4
107.08605	2.6
109.06530	0.7
110.55119	0.6
119.04945	11.5
119.08589	1.4
121.06579	0.8
121.10126	0.8
123.08106	0.7
123.11733	1.0
131.08609	0.8
133.10172	2.3
134.09642	100.0
135.08046	1.4
143.08568	0.7
147.04398	12.7
147.08038	0.8
149.06010	1.1
149.09717	0.8
151.11182	1.5
157.10127	1.1
159.11691	0.8
164.10686	18.0
171.11671	1.0
181.10141	1.0
183.11708	3.0
192.10173	11.8
194.11763	4.3
197.13318	1.4
207.11731	0.9
209.13350	1.0
210.11275	3.7
211.11374	1.0
234.11320	2.6
239.17886	0.9
249.16499	2.5
252.12291	11.3
267.17426	3.4
295.16879	1.3
301.52020	0.6
381.34784	0.7
518.96667	0.6
578.98621	0.7
624.32428	2.1
666.32880	8.5
696.65863	0.7
726.35052	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	726.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29887	0.6
62.60234	0.6
72.04513	99.4
74.06060	3.5
79.05469	1.0
83.08644	0.8
83.73448	0.8
91.05473	4.7
92.18599	1.4
105.07003	5.5
107.08591	4.6
119.04916	7.0
119.08581	4.6
121.06474	0.9
121.10153	6.2
127.58167	0.8
131.08571	4.9
133.10121	1.6
134.09647	100.0
135.08052	1.1
143.08553	1.2
145.10114	1.6
147.04395	7.0
147.11708	0.7
149.09599	1.1
157.10069	1.7
168.09332	1.3
169.10074	1.4
172.32236	0.8
183.11636	7.1
192.10185	45.6
192.11980	1.4
197.13275	1.4
207.11661	1.8
211.14919	1.2
220.12505	1.0
225.08360	1.0
234.11220	9.9
239.17947	1.9
249.16367	4.0
252.12340	6.2
252.14603	0.9
267.17365	10.9
285.18375	1.7
295.16772	1.3
309.59442	0.9
355.19360	1.2
436.06851	0.9
666.32074	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	726.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67045	0.7
58.06600	1.8
68.74062	0.8
69.07052	0.8
72.04526	12.7
79.05484	0.8
81.07047	0.7
82.04216	0.7
91.05477	30.2
93.07034	1.0
105.07017	3.4
107.08583	3.6
119.04939	22.9
119.08566	1.6
121.06486	0.7
121.10129	1.9
121.94254	0.7
131.08563	1.4
134.09650	41.5
135.08058	5.1
148.11208	0.9
157.10118	1.6
159.11740	1.1
162.88426	0.9
164.10703	100.0
168.09392	0.8
171.11783	1.1
179.08765	0.8
181.10081	1.0
183.11668	6.0
192.10170	4.4
193.10086	1.3
197.13176	1.6
207.11720	3.2
210.11223	7.3
211.11179	0.9
211.14928	1.2
221.13181	0.9
225.12709	0.9
239.17950	1.5
249.16451	4.9
252.12360	0.8
267.17392	9.0
277.15823	1.0
285.18387	1.9
295.16968	1.1
420.49368	0.9
519.30212	0.8
624.31537	11.6
666.32605	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	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.2
55.54738	2.6
57.03434	6.1
57.25782	2.2
59.10783	2.0
67.05511	48.8
69.07061	14.9
70.75226	2.2
72.04504	3.0
79.05485	22.8
81.07061	56.0
83.08617	11.5
85.02834	2.7
85.06560	3.2
91.05472	14.3
93.07058	36.5
95.08598	32.6
95.26849	2.3
97.06536	3.9
97.10162	2.8
105.07019	5.8
107.08593	26.0
109.10139	14.3
117.07051	4.5
119.08585	10.5
121.10149	23.0
131.08568	11.5
133.10103	9.7
135.11678	14.0
145.10075	2.9
147.11685	5.3
149.13246	28.1
159.11678	16.6
163.33774	2.7
177.12737	3.9
184.70778	2.5
261.22205	2.4
269.17438	36.7
316.91071	2.5
335.25800	44.2
385.61127	2.5
393.17563	2.6
529.31274	5.2
529.38867	100.0
726.45496	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	728.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75131	1.9
57.25003	1.7
57.53714	1.6
58.75392	2.0
86.09705	22.4
90.39896	2.0
91.05483	3.2
98.72471	2.3
124.99980	14.1
184.07326	100.0
195.96271	2.1
210.11285	2.6
728.48492	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1814
Annotation	Isoginkgetin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03416	0.4
59.18027	0.3
61.02917	0.4
62.74736	0.3
63.05339	0.3
64.51469	0.3
65.46188	0.3
69.03391	2.2
72.04510	3.4
73.02901	0.3
73.04807	0.5
77.90299	0.3
85.02895	3.2
87.04413	0.6
91.05472	3.9
92.05759	1.8
97.02855	0.6
106.07368	0.4
119.04946	2.8
120.05229	0.7
121.02100	0.4
121.02860	9.0
134.09648	5.9
135.08052	0.4
135.09979	4.1
143.08603	0.3
147.04362	0.4
164.10704	13.6
165.11072	7.9
166.11259	2.5
167.03348	1.7
167.11467	0.4
192.10143	0.5
193.10487	0.5
210.11165	0.8
211.11501	0.7
212.11636	0.4
220.47740	0.3
231.95271	0.3
234.83771	0.3
240.67410	0.4
249.16243	0.5
267.17532	0.5
268.17776	0.7
311.09375	0.4
346.08658	0.4
364.40356	0.3
401.10275	2.5
417.06064	0.7
431.07584	1.3
432.08298	1.9
449.08676	2.0
513.69354	0.5
525.11792	0.4
535.10266	5.1
552.10657	0.6
567.12842	100.0
574.59143	0.3
609.13824	0.6
627.32263	2.2
627.41516	0.4
669.32922	1.4
729.18042	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	729.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.3
61.02881	0.2
69.03422	1.5
72.04516	3.7
73.02893	0.3
73.04793	0.4
73.05147	0.2
85.02888	2.0
86.07001	0.2
87.04408	0.3
91.05406	1.2
97.02810	0.9
119.04856	1.0
120.05223	0.3
121.02857	11.8
121.10072	0.2
127.03873	0.3
131.08504	0.2
134.09627	3.7
134.35014	0.2
135.09990	2.0
138.17227	0.2
147.04349	0.4
164.10730	2.7
165.10988	1.5
166.11298	0.3
167.03340	1.8
173.93370	0.2
183.11621	0.3
186.47240	0.2
192.10143	0.9
193.10391	0.9
203.68747	0.3
234.11235	0.2
261.82910	0.2
268.17752	0.3
311.09106	1.1
335.09113	0.4
390.07162	0.4
401.10226	2.6
404.08759	0.2
416.05173	0.9
417.05841	1.5
431.07526	1.7
432.08368	3.0
449.08551	2.0
499.23209	0.2
521.08276	0.2
525.12299	0.4
535.10107	5.7
552.10498	0.9
565.91760	0.2
567.12817	100.0
609.14056	1.2
669.33984	0.3
723.33807	0.2
729.18030	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	730.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69883	4.9
79.05485	8.1
81.07024	5.6
87.38668	6.3
91.05473	100.0
91.45317	4.9
93.07033	5.4
95.04932	7.3
103.05425	6.4
104.79318	4.9
105.03393	21.2
105.07034	20.3
107.04961	4.9
109.06485	26.0
113.05982	10.7
116.08746	5.1
117.06973	7.4
119.04935	22.3
122.55016	5.2
123.04440	6.3
123.08113	10.1
125.06009	6.8
129.07030	12.7
131.04916	31.9
131.08522	5.5
131.78355	4.8
134.09630	11.4
137.05986	8.5
140.58290	5.3
141.07068	10.0
143.08597	30.0
145.06467	12.5
145.10162	8.0
147.07977	8.3
151.07477	8.0
155.08530	10.2
157.06471	6.6
157.10120	8.8
159.08022	8.1
163.07539	20.4
167.08395	15.5
169.10161	10.3
171.08051	12.0
175.07420	6.3
179.08522	10.3
181.10130	25.2
183.08029	7.6
183.11650	24.1
187.07457	7.0
193.10117	25.9
194.10829	7.2
195.11688	31.0
197.09563	8.1
197.13351	7.1
205.10130	7.3
207.11685	10.8
209.09628	11.9
209.13225	9.2
210.11250	47.4
211.11179	12.6
211.14845	8.7
213.12746	7.4
213.53613	5.2
218.10953	8.2
219.11678	19.8
221.13252	11.7
223.11119	22.1
225.12686	7.9
237.12747	30.6
247.11151	10.1
251.14398	7.2
255.13785	11.6
261.12732	6.1
269.15329	6.4
279.13712	24.9
283.13297	11.3
295.13239	6.8
297.14917	25.7
307.13278	28.6
325.14133	37.1
327.20767	5.7
343.15384	27.3
364.12665	6.7
367.15475	8.6
385.16470	31.2
403.17493	28.1
427.17560	8.9
445.18744	49.9
463.19717	9.4
476.68661	5.5
505.20639	93.4
509.83160	6.3
576.84772	6.2
672.31342	31.7
730.34448	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	730.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14802	7.5
55.33470	6.9
92.18580	17.5
100.80293	8.9
105.03406	73.5
109.50912	9.5
109.84701	8.3
130.91260	8.8
134.09645	21.0
173.42113	8.9
202.06387	12.8
237.12881	11.3
261.28241	8.6
267.13440	8.7
278.56622	9.1
435.33392	9.7
441.56830	9.3
445.18390	35.7
549.20636	13.1
609.23315	10.5
730.30536	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	730.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08596	5.8
67.56631	6.1
69.07048	7.1
74.06042	12.2
76.11188	7.6
94.34580	6.8
95.04976	15.2
105.07009	30.5
109.06516	14.4
113.06009	14.8
117.07021	12.7
119.04898	10.8
123.04409	16.4
123.11456	6.9
125.06010	12.6
129.06996	12.7
131.04921	13.7
133.06439	10.8
139.07603	8.6
143.08514	12.9
145.06505	37.7
147.08075	11.3
147.74919	7.5
149.05989	8.4
153.12325	7.1
155.08542	14.0
157.06465	12.0
159.08089	10.5
159.81413	7.9
161.05989	33.7
165.07066	12.7
167.08501	14.4
169.10066	13.2
171.08130	14.2
171.11732	9.5
173.05995	8.5
179.08525	8.7
181.10130	31.2
183.08083	36.8
183.11746	13.2
193.10123	30.8
195.08087	10.8
195.11717	34.7
197.09709	10.7
199.11241	11.5
204.09349	9.7
205.10161	11.5
206.10861	8.9
207.11761	32.7
209.09668	27.3
209.13271	31.4
211.11156	34.1
213.08968	7.3
213.12695	16.4
219.11751	36.7
221.09561	28.7
222.10393	14.1
223.11195	52.6
225.09082	8.2
225.12683	32.6
235.11232	30.8
236.12006	8.5
237.12691	60.5
239.10815	9.6
241.12224	39.9
249.12770	17.9
251.10718	9.1
251.14388	13.4
253.12271	39.7
265.12231	61.4
267.13837	27.7
277.12405	9.8
279.13846	17.6
283.13321	9.7
295.13275	93.3
297.14941	9.5
301.14297	14.3
313.14322	43.0
325.14267	100.0
343.15387	32.0
355.15338	30.8
373.16635	12.0
385.16504	45.7
403.17175	11.8
415.17456	42.8
445.18576	54.3
474.24350	7.7
487.19641	58.7
505.20566	10.8
565.22607	49.7
687.97430	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	730.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32919	0.6
53.03931	1.0
61.99660	0.7
70.44752	0.8
72.04516	1.1
77.03917	1.3
79.05501	1.3
88.07594	0.8
91.05479	19.7
95.04958	3.8
105.03391	37.3
105.04471	1.6
105.07013	4.8
107.04956	6.3
109.76575	1.0
112.99968	0.8
117.07011	1.6
119.04933	71.3
119.08622	1.4
129.06970	3.4
131.08583	1.2
133.06447	1.4
134.09647	84.0
135.04483	1.0
143.08542	1.7
145.06480	3.9
147.04401	100.0
153.06987	1.4
155.08565	8.8
157.53786	0.9
159.07922	1.0
164.23232	0.7
165.05481	3.6
165.07008	11.8
166.07787	3.6
167.08557	18.5
168.09431	1.1
169.10107	5.8
178.07761	3.4
179.08546	26.1
180.09322	16.1
181.10115	16.6
183.11658	1.2
185.09541	1.3
189.05490	5.7
192.09161	7.1
193.10114	13.9
194.10828	29.6
195.08080	1.7
195.11682	10.4
204.09358	7.9
206.10915	3.5
207.06503	3.0
207.11641	11.4
208.08710	1.3
208.12515	1.6
209.13248	49.4
210.11223	10.2
211.11143	3.5
211.14648	3.3
219.11678	11.2
221.09549	0.9
221.13249	4.9
222.10367	9.8
227.14284	2.0
237.12708	23.9
239.14206	8.2
250.10728	1.4
252.12274	59.2
255.13857	3.4
281.15384	1.2
285.22107	0.8
297.14871	7.0
299.16510	1.0
316.20538	0.9
341.15311	3.5
419.18475	1.2
488.24118	7.8
548.26532	15.6
568.13055	7.6
581.97607	0.8
610.28406	1.5
670.30072	61.0
730.32227	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	730.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32919	0.6
53.03931	1.0
61.99660	0.7
70.44752	0.8
72.04516	1.1
77.03917	1.3
79.05501	1.3
88.07594	0.8
91.05479	19.7
95.04958	3.8
105.03391	37.3
105.04471	1.6
105.07013	4.8
107.04956	6.3
109.76575	1.0
112.99968	0.8
117.07011	1.6
119.04933	71.3
119.08622	1.4
129.06970	3.4
131.08583	1.2
133.06447	1.4
134.09647	84.0
135.04483	1.0
143.08542	1.7
145.06480	3.9
147.04401	100.0
153.06987	1.4
155.08565	8.8
157.53786	0.9
159.07922	1.0
164.23232	0.7
165.05481	3.6
165.07008	11.8
166.07787	3.6
167.08557	18.5
168.09431	1.1
169.10107	5.8
178.07761	3.4
179.08546	26.1
180.09322	16.1
181.10115	16.6
183.11658	1.2
185.09541	1.3
189.05490	5.7
192.09161	7.1
193.10114	13.9
194.10828	29.6
195.08080	1.7
195.11682	10.4
204.09358	7.9
206.10915	3.5
207.06503	3.0
207.11641	11.4
208.08710	1.3
208.12515	1.6
209.13248	49.4
210.11223	10.2
211.11143	3.5
211.14648	3.3
219.11678	11.2
221.09549	0.9
221.13249	4.9
222.10367	9.8
227.14284	2.0
237.12708	23.9
239.14206	8.2
250.10728	1.4
252.12274	59.2
255.13857	3.4
281.15384	1.2
285.22107	0.8
297.14871	7.0
299.16510	1.0
316.20538	0.9
341.15311	3.5
419.18475	1.2
488.24118	7.8
548.26532	15.6
568.13055	7.6
581.97607	0.8
610.28406	1.5
670.30072	61.0
730.32227	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	730.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36092	0.8
62.60569	0.9
65.38797	0.9
91.05479	100.0
93.07022	1.1
95.04926	1.2
95.96805	0.9
103.05476	2.2
105.03400	21.1
105.07034	4.6
107.04983	1.1
107.08603	1.2
114.46423	1.0
119.04935	20.1
119.08593	2.2
129.06973	1.6
131.04959	1.6
131.08572	1.5
134.09645	21.0
143.08559	4.7
147.04382	4.8
155.08536	3.8
159.08084	1.3
169.10133	7.2
171.08009	1.0
179.08563	2.2
181.10197	1.6
183.11687	9.0
191.08467	1.3
192.09303	1.5
193.10196	1.6
195.11690	4.1
196.12415	1.5
197.13155	1.0
206.10912	6.0
209.13271	4.4
210.11238	73.9
211.14819	12.0
221.13222	7.7
237.12648	1.7
239.14282	2.5
252.12251	1.8
385.16266	1.5
403.17636	1.6
445.18417	1.9
460.10397	1.2
490.25705	2.1
505.20618	6.2
550.27661	4.1
568.12885	1.3
672.20233	2.1
672.31598	57.9
730.35883	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
56.14334	1.8
56.34561	2.0
57.03443	3.4
67.05509	46.1
69.07059	9.6
69.50314	1.9
71.04977	15.0
75.10007	2.1
76.40755	2.3
79.05493	34.1
81.07063	69.8
83.04975	2.5
83.08630	5.3
83.54664	2.2
85.06549	8.3
91.05470	17.5
92.18030	3.2
93.07041	48.8
95.04952	2.8
95.08610	18.7
97.06506	3.2
105.07008	12.3
107.08591	16.0
109.06520	2.2
109.10139	10.1
117.07015	2.2
119.08582	5.1
121.10140	33.3
122.99397	2.2
123.11707	19.1
131.08594	2.9
133.10120	20.0
135.11691	9.5
145.10136	5.1
145.50586	2.3
147.04410	4.4
149.13263	5.6
151.11211	9.5
159.11646	3.5
169.12202	2.6
183.13852	2.9
187.13373	2.6
199.66747	2.3
269.17380	2.6
301.19904	3.0
307.22699	18.3
443.98935	2.2
475.34201	51.3
501.35626	13.2
516.12988	2.4
533.38367	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	731.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39119	1.7
54.31567	1.8
71.59439	2.0
79.05466	2.5
81.07104	3.7
90.41257	2.2
91.05494	3.5
93.07049	2.6
95.04945	2.7
95.08637	3.4
103.05465	9.8
105.07034	16.2
107.08599	5.1
111.43436	2.4
119.08574	17.8
121.10145	8.5
131.04915	33.3
131.08577	14.1
133.06480	4.1
133.10103	9.6
138.81206	2.2
143.08549	13.9
145.10136	11.6
149.09558	2.8
155.08533	9.8
157.10086	9.4
159.08020	4.8
161.09547	4.1
167.08493	3.6
169.10211	4.4
171.11710	8.7
173.09630	2.5
179.08498	3.2
181.10068	10.7
183.11723	3.7
193.10109	8.7
195.11668	14.4
197.13219	3.5
204.09401	9.8
205.10162	5.0
206.10934	9.1
207.11681	10.3
209.13315	15.6
217.10056	2.9
219.11693	17.7
220.12456	3.0
221.13306	10.3
223.11156	3.5
223.14885	2.6
231.11682	32.6
232.12349	4.2
233.13290	3.5
235.14848	5.1
237.12828	8.7
237.16267	4.6
243.96179	2.3
246.14014	45.3
251.18016	8.3
261.16348	34.2
264.14877	3.1
275.08771	2.2
279.17505	12.7
296.13037	2.5
463.20941	5.4
499.71097	2.3
509.89417	2.1
510.86462	2.2
523.22736	10.4
611.26105	45.7
634.46985	2.8
671.28235	100.0
731.30212	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35781	2.9
66.74386	3.1
74.29741	3.1
79.05475	4.5
79.57579	3.2
87.85923	3.3
88.51985	3.1
89.57330	2.9
91.05491	3.2
93.07035	4.3
105.07010	3.8
121.10051	3.2
153.99724	3.4
175.85265	3.0
353.87717	3.2
408.53607	3.9
429.25623	4.0
507.25909	3.7
731.39862	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	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.6
67.05507	3.5
68.15822	1.6
69.07048	1.7
72.36405	1.5
73.02922	3.5
73.44674	1.5
79.05507	2.5
81.07064	3.5
85.02898	3.6
91.03967	6.8
91.05473	1.7
92.88900	1.8
93.07050	3.9
95.08612	2.4
97.02895	2.7
99.04455	2.0
101.02376	2.2
107.49152	1.8
109.10147	2.0
121.11917	1.7
127.17893	1.8
129.92830	1.6
161.13312	1.5
166.09001	1.7
235.13042	2.5
243.08527	2.5
453.21207	7.3
519.29541	3.9
731.43231	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	732.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73903	0.7
61.51830	0.7
61.60538	0.7
73.06975	0.7
79.05489	5.0
81.07064	1.1
89.33582	0.7
90.01089	0.7
91.05488	14.7
93.07047	1.6
95.04965	5.4
101.87853	0.8
105.03395	100.0
105.07022	8.3
107.08601	3.1
109.06490	1.7
117.07015	1.1
118.06521	7.4
119.04919	4.2
119.08577	1.6
121.06506	3.2
121.10133	3.2
122.06026	33.3
123.08071	1.1
131.08530	1.9
133.06488	13.3
133.10126	18.9
136.07570	1.4
145.06456	1.1
145.10159	1.5
147.08096	1.1
149.06021	3.5
149.09628	3.3
151.07536	1.5
151.11163	3.1
155.08644	0.9
157.10063	1.0
159.08023	1.9
161.05995	1.0
161.09602	1.5
173.09668	1.1
175.72440	0.8
183.11719	1.2
193.10106	1.9
195.11749	2.9
209.13278	1.0
211.11252	1.7
220.12474	1.7
223.11418	1.4
224.67220	0.8
225.12787	1.1
235.14923	1.6
237.12820	1.1
237.16310	1.5
239.10580	1.1
240.10124	11.3
253.15932	1.9
263.14410	3.1
268.09683	7.0
281.15387	5.4
286.10718	29.3
299.16519	1.3
309.14816	3.0
327.15948	6.0
328.11902	1.3
341.17358	4.4
387.18076	4.3
391.56351	0.8
447.20074	1.3
453.31259	0.9
752.55249	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	732.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08672	0.4
67.68250	0.5
75.54659	0.5
81.63697	0.5
83.41344	0.5
91.05475	68.7
101.00593	0.6
103.05449	0.8
105.07041	0.6
119.04939	12.2
127.90419	0.5
131.08534	0.6
134.09648	15.1
147.04446	0.8
147.53300	0.6
165.05508	0.7
173.78780	0.5
181.10115	0.8
210.11240	100.0
235.11021	0.6
252.12378	3.5
732.32184	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	732.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49252	0.8
65.69593	0.9
91.05479	79.2
95.04964	1.4
100.03455	0.9
103.05475	1.7
105.07019	1.7
107.04949	6.2
109.06515	1.8
110.07195	1.0
111.92081	0.9
119.04939	12.5
123.08033	1.0
129.06891	0.9
131.04962	1.0
131.08519	1.7
134.09659	23.8
137.05952	2.0
143.08534	1.7
145.06456	1.6
149.05971	1.1
159.08034	1.3
181.10406	1.5
195.11667	1.2
210.11255	100.0
231.27098	1.0
232.56160	0.9
252.12361	1.6
325.14355	1.1
338.92285	1.1
345.72568	0.9
523.44543	1.1
552.76984	1.0
672.30499	1.5
732.32147	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	1.4
67.08167	1.6
85.02910	2.2
85.06509	3.3
85.35909	1.6
103.05479	30.8
105.03399	6.0
109.06499	1.8
112.66599	1.9
121.12798	2.1
131.04929	100.0
143.08675	2.0
147.08061	3.2
155.08588	3.3
159.08084	2.9
160.46378	1.7
161.09570	2.1
169.10161	2.4
171.11801	2.0
175.68274	1.6
185.09642	2.3
197.09666	2.8
197.13268	2.8
197.59358	1.8
213.09090	2.3
213.12750	1.8
221.13255	3.5
225.12657	3.0
239.14278	3.9
249.12744	3.6
267.13788	7.5
285.14847	4.0
299.16489	2.0
309.14841	3.7
327.15894	12.0
345.16959	6.8
387.18118	2.7
447.20123	6.5
560.38831	1.8
654.18115	2.1
655.27191	10.5
755.41956	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	732.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
69.67162	1.7
72.08012	1.9
73.49574	1.7
81.07068	2.2
83.19856	1.8
87.93415	2.0
88.33547	2.0
91.05402	2.0
93.07031	2.8
95.04954	10.0
104.12878	1.9
105.03391	100.0
105.07018	9.8
107.04895	2.2
107.08593	3.0
109.06496	3.0
119.08545	3.8
121.35221	1.9
123.08047	3.6
133.06497	17.8
133.10153	2.6
143.08504	4.1
147.08044	3.3
149.05948	3.7
155.08516	3.7
157.10167	6.6
159.08083	2.4
161.09644	3.4
165.07027	2.2
167.08580	2.8
169.10114	14.5
170.04886	1.8
171.08040	8.4
171.11664	4.8
173.09674	3.4
179.10687	2.3
180.09222	1.9
181.10114	11.1
183.11650	17.1
185.09601	11.4
185.13332	2.6
185.79628	2.1
186.84212	2.2
192.09326	4.5
193.10081	8.1
195.11711	11.4
197.09624	14.2
197.13266	11.5
199.11128	21.0
205.10162	2.5
207.11708	7.7
209.09608	3.3
209.13364	3.5
210.10420	3.8
211.11151	23.4
213.09154	3.2
213.12721	2.4
215.10689	2.5
221.13283	3.8
222.13844	1.8
223.11197	10.2
223.14815	2.6
225.12724	15.5
227.10709	23.7
232.12505	4.8
235.11073	3.7
236.11887	2.5
237.16284	2.9
239.14513	2.4
241.12213	2.7
241.15933	4.7
247.14952	3.6
249.12686	3.2
250.13550	2.6
251.10533	2.8
251.14241	8.8
253.12233	10.4
253.15851	2.3
263.14343	4.0
265.15829	18.0
269.11755	2.6
269.15369	3.1
271.13278	3.3
275.14258	9.5
281.15564	2.7
283.16919	9.7
293.15289	26.7
311.16403	24.4
313.14185	3.5
329.17413	2.7
335.16504	2.0
353.17474	11.3
355.15387	7.8
371.18375	18.1
372.33264	2.3
413.19684	3.5
415.18927	2.4
431.20694	4.0
493.22269	3.9
535.23700	3.2
553.24432	22.0
595.25140	3.7
655.27209	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	732.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.11661	0.7
54.65972	0.6
56.98527	0.7
60.93644	0.7
65.73606	0.7
67.39342	0.9
77.03915	0.8
79.05472	1.1
83.04967	1.1
84.54378	0.8
92.18487	0.9
93.07031	1.6
95.04967	7.3
95.08630	0.8
99.04483	0.9
105.03400	100.0
105.04544	3.5
105.06380	1.0
105.07018	7.9
107.04963	1.7
107.08565	1.2
116.30605	0.8
119.08548	1.6
121.06504	3.6
123.08098	1.2
124.29316	1.0
131.08543	1.5
133.06499	5.2
133.10094	3.4
135.08072	4.4
140.85049	0.9
143.08556	3.7
145.06525	1.0
145.10106	1.5
147.08005	1.1
149.06017	2.9
149.09642	3.0
151.07628	1.1
155.08585	1.7
157.06508	1.0
157.10100	2.0
159.08066	3.8
161.09653	8.2
163.11234	0.8
165.06955	1.5
169.10114	3.4
171.08075	1.1
173.09592	3.9
177.09077	1.6
179.08617	1.4
180.09439	1.1
181.10118	7.5
183.08075	1.2
183.11696	4.4
185.09692	3.4
187.11130	1.1
189.09074	0.9
192.09351	4.3
193.10182	4.3
194.10811	0.9
195.11772	7.8
197.09593	6.6
197.13281	3.3
199.11172	15.4
205.10124	1.6
206.10918	1.0
207.11734	8.7
209.09662	6.2
209.13226	4.0
211.11194	23.7
213.12767	0.9
217.10107	1.1
219.11697	1.5
220.08908	1.7
221.13292	5.2
222.14047	0.9
223.11201	9.5
223.14775	4.1
225.09132	0.9
225.12782	13.4
227.10654	23.5
232.12468	4.8
233.09416	1.1
233.13301	2.0
234.10489	1.0
235.11203	7.1
235.14771	6.6
236.11954	3.3
237.16417	5.3
239.14287	1.8
241.12282	3.2
241.15891	1.1
246.10474	1.2
247.14801	8.4
248.11765	1.2
249.12720	4.5
250.13445	1.7
251.10562	1.1
251.14197	5.8
253.12212	22.3
253.16000	1.3
260.12009	4.0
263.14297	5.5
265.12515	1.1
265.15918	8.8
267.13916	1.3
269.11740	13.4
271.13428	5.8
275.14249	5.8
278.13101	1.9
281.15479	6.6
283.16794	6.2
293.15375	15.5
294.38669	1.0
295.13242	3.5
298.68573	1.0
311.16599	6.5
313.14288	8.5
329.17416	1.6
335.16351	1.1
344.99344	0.9
353.17447	15.9
355.15347	23.1
371.18484	3.2
373.16464	1.6
395.18356	1.0
413.19568	6.1
415.17691	3.4
431.20639	4.5
452.67105	0.9
473.21805	3.7
475.20892	1.1
522.91547	0.9
535.23303	26.9
553.24139	1.5
595.25610	16.3
637.26074	4.8
655.27563	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	732.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04504	5.9
79.05486	7.1
91.05485	6.8
93.07027	3.4
95.04961	1.8
101.89626	1.4
105.03398	47.6
105.07034	6.8
107.04955	100.0
119.08592	2.4
131.08601	5.1
134.09650	50.9
143.08549	6.1
149.05954	20.7
150.09143	42.5
155.08507	3.2
167.08484	2.0
169.10097	9.5
173.62199	1.7
179.08551	8.1
180.09317	2.4
181.10091	7.7
182.11089	1.7
183.11703	11.0
191.08582	3.4
192.09389	6.6
193.10135	7.8
194.11778	72.6
195.11679	2.8
206.10950	14.0
211.14821	15.6
221.13223	28.2
223.14915	3.2
225.81015	1.4
239.14279	2.6
256.27344	1.7
274.90750	1.8
303.27911	1.6
335.95224	1.5
403.18698	1.9
453.51498	1.7
474.26459	12.2
516.79816	1.4
596.20490	2.3
596.30029	67.7
614.31042	54.6
672.35443	13.3
732.37122	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	732.3738
Annotation	Glaucacyclopeptide B
Peak:m/z	Relative Intensity
53.97775	0.8
57.19865	0.9
57.84343	0.9
63.44391	0.9
79.05483	8.0
81.71649	0.9
91.05465	1.9
91.89178	1.0
93.07018	1.4
95.04953	1.4
105.03396	3.6
105.07031	5.9
105.59121	0.9
107.04948	100.0
107.08581	1.0
119.08555	2.1
129.06961	1.3
131.04918	0.8
131.08536	1.9
134.09650	14.0
137.98004	1.0
143.08588	2.0
149.05965	19.2
149.19640	1.0
155.08527	3.3
157.10109	1.1
165.06891	1.2
169.10109	5.9
171.11740	1.1
177.20062	0.8
179.08507	1.6
181.10033	3.2
183.11700	2.1
185.13268	4.4
191.08557	1.5
193.10101	1.7
194.11766	61.3
195.11659	4.4
197.09674	1.1
197.13255	1.5
206.10884	4.4
208.12711	1.1
209.13220	3.6
211.14789	5.5
213.12727	1.7
221.13293	9.6
223.14879	1.8
237.01639	0.9
239.14313	5.5
269.19104	1.9
279.17377	3.9
297.18518	5.0
299.16101	1.2
314.86646	0.9
375.09543	0.9
474.26324	5.9
492.27286	7.1
534.28442	13.7
555.13940	1.0
614.30988	3.5
656.32153	5.8
666.83350	1.1
732.37427	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79181	0.7
59.05005	1.3
62.02388	0.8
66.85674	0.9
72.04504	1.2
77.86927	1.0
79.05485	7.2
91.05445	1.0
105.07014	1.1
107.04950	100.0
128.22174	0.8
131.08557	1.1
134.09642	37.5
143.08549	1.4
149.05949	24.1
155.08527	1.8
157.10159	1.5
169.10092	2.2
179.08588	1.0
180.09299	1.2
181.10060	1.4
194.11755	89.7
195.11707	1.0
206.11014	1.8
211.14804	1.1
221.13254	3.5
239.14233	4.2
240.39754	0.9
252.43129	1.0
274.04007	1.2
432.25317	10.4
492.27383	54.2
533.34906	0.9
555.21326	0.9
614.31189	17.8
672.34729	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	732.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24609	1.0
77.85883	1.0
79.05499	9.5
91.05487	2.2
105.03386	2.4
105.07039	9.7
107.04954	100.0
119.08603	2.4
131.08572	2.7
134.09662	18.5
143.08548	5.3
149.05978	17.6
155.08554	4.5
157.10152	1.8
165.06931	1.3
169.10132	7.4
179.08511	4.9
181.10063	2.4
183.11720	6.8
187.01273	1.3
192.09303	1.8
193.10144	1.4
194.11774	78.2
195.11722	9.0
197.13263	2.2
206.10864	6.7
208.12317	1.4
211.14825	7.8
213.12729	2.5
221.13272	9.9
239.14282	4.9
241.12323	1.5
269.19034	1.8
270.93881	1.1
279.17288	1.3
280.65829	1.1
297.18567	4.5
474.26410	4.1
492.27509	29.4
534.28613	10.8
614.31335	15.7
656.31409	1.9
732.37372	38.6
750.96381	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	732.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34596	0.9
53.51461	0.9
53.77649	0.9
72.04500	4.5
77.03947	1.1
79.05479	8.7
91.05489	2.1
93.07030	5.4
95.04956	4.2
105.03392	44.1
105.07047	4.3
107.04953	100.0
119.08597	2.8
129.06967	1.5
131.04900	1.6
131.08588	6.3
134.09654	44.5
141.06992	2.0
141.58873	1.1
143.08589	6.4
146.73718	1.1
149.05968	22.6
150.09143	41.6
155.08530	1.6
155.30220	1.0
165.06990	1.4
167.08621	1.3
169.10178	9.4
174.87755	1.2
178.07877	1.7
179.08589	7.2
180.09296	1.9
181.10152	5.6
183.11699	11.5
191.08624	2.3
192.09402	1.8
193.10152	8.2
194.11778	67.2
195.11646	2.5
206.10905	17.0
208.12427	1.8
209.13359	2.3
211.14821	15.1
221.13234	20.6
223.14807	6.5
237.12914	1.3
239.14355	2.2
273.08157	1.5
291.52069	1.4
360.87253	1.2
369.40253	1.1
397.71838	1.6
403.18942	1.3
474.26117	13.5
596.29987	64.4
614.31073	56.8
627.03284	1.3
654.33826	1.5
672.35577	11.3
732.35950	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	732.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19899	0.9
57.25463	0.9
59.04999	1.5
68.99187	1.1
69.16862	0.9
72.04510	1.2
76.28124	1.0
79.05482	8.1
93.05044	1.0
105.03407	1.3
105.06989	1.3
107.04955	100.0
109.38554	1.1
117.26820	1.0
134.09653	47.1
143.08562	1.5
149.05975	22.5
155.08513	1.8
169.10092	2.3
183.11650	1.5
193.10191	1.3
194.11757	90.7
195.11752	2.4
206.10870	4.4
211.14842	1.7
221.13371	3.9
239.14317	2.6
289.21979	1.2
432.25183	13.8
492.27405	51.8
614.31024	15.1
672.34631	5.5
732.37231	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	732.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05515	8.8
85.80851	1.1
91.05468	1.9
92.17825	1.0
93.07043	2.6
105.03395	7.7
105.07034	6.5
107.04950	100.0
119.08565	1.7
131.08530	1.4
133.10101	1.4
134.09641	15.4
143.08539	2.3
149.05989	19.5
155.08539	5.3
157.10110	2.4
167.08495	1.4
169.10095	4.8
179.08583	4.6
180.09369	1.9
181.10124	2.5
183.11711	4.3
185.13263	7.0
189.05414	1.1
193.10211	2.5
194.11766	82.8
194.20647	1.2
195.11714	6.4
197.13255	2.1
206.10878	8.4
209.13330	2.8
211.14786	2.1
213.12842	2.3
221.13223	10.4
222.13884	1.2
223.14780	1.6
228.24966	1.0
239.14325	1.8
246.34277	1.1
251.17836	2.0
269.19077	2.3
279.17422	5.4
297.18445	7.5
384.83127	1.1
474.26385	6.3
492.27512	7.5
534.28638	15.5
614.30908	2.8
656.31866	4.2
732.37524	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71428	0.4
52.01935	0.5
58.06606	10.6
62.45045	0.5
70.06583	0.6
72.08154	18.7
84.08125	1.5
88.07632	3.8
90.09189	34.9
102.09197	3.5
105.03405	0.8
107.04950	20.0
107.05679	0.7
107.69572	0.6
115.79971	0.7
119.08567	0.8
121.84070	0.6
122.62244	0.6
133.06483	1.3
134.09637	1.2
135.08046	81.5
145.10162	1.0
147.08090	2.2
149.06007	1.1
159.16177	0.7
161.09679	2.5
173.09621	8.6
191.10680	9.5
194.11757	8.5
194.13103	0.6
209.11716	11.0
209.13312	0.7
213.95169	0.6
279.17459	0.9
325.18082	2.8
384.25360	0.9
457.22748	0.7
534.28265	0.8
732.41162	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	732.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	10.1
70.06609	0.6
72.08153	16.6
76.80685	0.6
79.05518	0.8
84.08157	0.7
88.07632	3.9
90.09190	30.7
92.51036	0.6
102.09180	2.5
105.03333	0.7
105.07093	0.7
107.04961	15.5
107.69032	0.6
113.43788	0.7
133.06503	1.3
134.09641	1.4
135.08047	78.1
135.69930	0.6
147.08096	1.4
161.09651	3.5
173.09622	8.5
173.10966	0.8
191.10664	10.7
194.11748	8.5
209.11731	9.8
209.13319	0.7
241.11653	0.7
257.27969	0.6
289.88147	0.7
325.18289	1.3
339.44684	0.7
397.19586	0.8
642.34009	0.7
732.41077	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	733.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05507	9.5
57.03441	18.5
67.05505	59.6
69.03399	6.5
69.07050	10.9
75.63147	4.0
79.05486	45.2
81.03400	28.6
81.07066	45.0
83.04989	9.7
83.08694	4.4
85.06517	18.2
91.05480	43.4
93.07023	46.4
95.04970	100.0
95.08628	33.2
97.06549	8.3
105.03374	16.2
105.07016	22.5
107.04954	24.1
107.08582	24.6
109.06518	61.5
109.10176	4.8
111.26942	4.1
113.06017	29.4
117.07017	21.7
119.08563	25.3
121.06543	6.4
121.10145	5.8
129.07024	19.4
131.08556	25.5
133.10127	11.1
135.08051	58.2
135.11673	5.3
143.08545	18.7
145.06505	5.3
145.10124	19.6
147.08061	10.5
147.11676	8.1
149.05946	5.6
157.10129	9.6
159.08067	5.4
159.11656	9.3
161.09607	6.2
161.13200	5.1
171.11707	10.7
189.21043	4.6
217.15903	4.6
255.17334	6.2
273.18506	25.8
281.17499	7.9
291.19556	47.2
308.54709	4.9
347.22098	7.8
365.23328	9.9
425.21658	5.1
553.35327	33.0
571.36151	71.7
633.37305	5.8
668.33313	4.9
679.39685	5.2
697.38965	8.1
715.40112	41.4
733.42365	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	734.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15952	1.0
64.01299	1.1
69.03442	2.1
72.66219	1.0
77.03929	1.9
79.05492	8.8
80.50334	1.3
81.03403	2.2
83.04940	1.4
89.93369	1.1
91.05478	2.4
93.07041	4.7
95.04971	9.7
95.08598	2.2
105.02671	1.7
105.03391	62.9
105.07049	9.1
107.04955	100.0
107.08620	2.4
109.06538	1.3
113.56478	1.2
117.07001	1.3
119.08575	2.9
121.06489	6.1
121.10198	2.1
123.08070	4.4
131.04948	10.4
131.08582	2.9
133.06477	7.6
133.10112	2.4
135.08055	2.0
143.08568	1.4
147.08034	1.9
149.05969	37.9
149.09669	5.2
151.07562	1.3
155.08553	1.4
157.10075	2.9
159.08090	2.9
159.11719	1.2
161.09683	2.4
166.08635	39.9
169.10107	2.1
170.77872	1.2
171.08064	1.8
171.11615	1.9
173.09641	2.3
175.07555	1.6
177.09117	1.4
179.08528	1.5
183.07983	1.5
183.11688	2.8
185.09705	1.7
193.10106	4.7
194.10883	1.7
195.11725	2.7
196.12506	1.4
206.10947	6.7
207.11719	4.6
209.09633	1.6
209.13309	5.3
210.10385	1.3
211.11276	5.1
211.14832	1.8
220.12407	4.4
221.13214	5.0
222.10367	2.1
223.11246	4.2
225.09143	1.4
235.14766	4.5
237.12769	2.0
239.14311	2.4
243.88608	1.2
249.12750	2.0
251.10686	1.2
253.15848	1.8
263.14316	5.7
267.13828	1.8
281.15369	2.9
287.12729	1.5
291.13840	2.4
291.66440	1.2
309.14813	6.2
327.16052	9.9
360.19086	1.3
371.61087	1.3
387.17935	1.3
501.14175	1.3
509.21704	21.8
569.23566	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	734.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70087	1.1
53.03950	1.5
56.88700	1.5
66.46877	1.5
67.05480	1.3
79.05515	10.8
81.07043	1.9
88.64955	1.2
91.05486	5.9
92.17778	2.0
92.42854	1.6
93.07024	2.7
95.04955	9.0
95.08588	1.9
105.03399	49.8
105.04478	3.5
105.07009	12.3
107.04957	100.0
107.08546	2.5
109.06514	1.6
115.05505	1.6
119.08556	7.0
121.06486	3.4
121.10096	2.7
121.64364	1.6
123.08042	2.4
126.32509	1.2
131.04948	12.4
131.08556	2.3
133.06479	8.3
133.10173	3.2
135.08000	2.3
143.08640	1.5
145.10143	2.7
147.08052	3.0
149.05971	31.0
149.09627	3.1
151.07458	1.7
157.10139	2.3
159.08040	1.8
161.09673	2.8
166.08641	46.5
169.10124	3.1
179.08617	2.2
181.10127	5.9
183.11658	2.5
185.09686	1.7
185.59483	1.3
187.11215	1.9
193.10095	3.3
195.11763	3.1
205.10020	1.7
206.10974	3.5
207.11723	3.2
209.09706	2.6
209.13280	2.9
211.11224	3.5
223.11136	2.8
237.12622	2.7
239.14305	2.5
263.14407	2.2
265.12244	1.6
267.13788	1.8
281.15256	5.6
287.97226	1.5
291.13760	3.0
309.14914	7.0
327.16040	13.2
359.66171	1.5
368.22745	1.3
469.02505	1.5
509.21509	21.3
569.23517	2.6
588.27386	1.5
726.50073	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	734.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.0
54.42333	1.0
56.26394	1.0
69.07088	1.4
74.13172	1.4
77.03938	1.7
77.22578	1.2
81.03419	22.4
81.07040	2.2
83.08631	2.2
93.07063	2.9
95.04988	10.6
95.08575	1.9
97.02889	6.6
105.03397	100.0
105.04495	4.5
105.07018	2.4
109.10142	2.4
115.03983	1.2
119.08580	1.6
121.10139	6.3
121.98256	1.3
123.04538	1.7
129.06958	1.7
133.10162	2.5
137.60182	1.2
143.08556	2.4
145.10120	2.6
147.08040	2.2
155.08533	2.4
157.10112	7.3
159.08052	5.9
161.09619	5.1
164.70595	1.2
167.08478	1.4
169.10121	6.6
171.08057	2.9
171.11644	9.1
173.09634	5.8
175.07567	2.6
179.08485	2.4
181.10121	5.3
183.08020	2.3
183.11653	8.8
185.05946	1.5
185.09578	9.7
185.13228	1.7
187.07579	1.5
187.11148	4.6
193.10143	7.6
194.10909	1.5
195.08124	2.5
195.11685	6.6
197.09558	10.8
197.13260	2.7
199.11154	16.4
199.14842	2.5
201.09123	1.9
201.12823	1.8
207.11725	9.7
209.09673	4.8
209.13261	6.7
211.11180	18.5
211.14857	2.9
213.12764	3.1
213.16406	5.5
217.15858	5.6
221.09729	1.6
221.13289	2.5
223.14864	10.6
224.11934	1.5
225.09047	2.3
225.12759	13.8
225.16406	2.5
227.10777	2.0
227.14244	2.1
229.12198	2.3
229.15939	2.6
234.14006	1.7
235.11037	2.0
235.14835	1.3
237.12669	2.9
239.10677	7.3
239.14299	7.0
239.17908	2.7
241.12151	2.0
241.15852	28.2
243.17554	2.4
244.12355	2.1
249.13005	1.4
249.16212	9.7
251.14226	5.1
253.12309	7.2
253.15839	4.1
255.17508	1.8
257.11807	1.9
262.13382	2.5
265.15735	2.1
267.13879	6.2
267.17444	22.7
269.15457	12.8
271.16995	2.2
277.15891	15.3
283.16980	2.4
285.18359	4.3
295.16931	47.2
313.14255	2.6
313.17963	81.2
331.19031	8.6
337.18024	7.7
355.19077	38.9
363.19305	1.6
373.20065	20.7
399.20010	1.4
415.21268	7.9
417.20486	2.3
435.21585	18.3
453.22592	6.8
475.23035	2.5
477.22928	1.8
495.23779	10.6
582.59198	1.4
627.54742	1.3
734.33521	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	734.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.9
55.05502	3.1
59.80725	2.9
63.76974	3.1
66.58250	3.6
69.07093	4.4
79.05502	3.9
81.03414	19.1
81.07074	4.2
85.06516	3.2
89.52116	3.1
91.05483	4.1
93.07063	5.6
95.02196	3.8
95.04961	7.8
95.08612	7.0
97.06526	6.0
105.02689	3.3
105.03389	97.5
105.04490	3.9
105.07010	16.2
107.08584	13.0
109.06506	5.7
119.08553	6.9
121.10138	4.9
123.80405	4.0
131.08516	14.2
133.10100	7.7
135.08006	6.7
143.08580	14.2
145.10077	7.0
147.08034	6.2
155.08582	5.6
157.10155	15.3
159.08064	35.6
161.09630	8.3
167.08559	4.6
169.10103	21.3
171.11664	14.8
173.09654	12.7
173.13203	4.6
175.11258	4.2
179.08528	5.8
181.10129	17.8
183.08064	4.5
183.11684	20.2
185.09618	16.3
185.13286	6.6
187.11156	6.4
192.09358	5.3
193.10138	14.1
195.11790	13.2
197.09570	23.6
197.13187	6.2
199.11111	4.4
199.14709	5.3
201.08951	3.8
207.11694	24.1
209.09686	8.3
209.13257	18.0
210.10489	4.7
211.11192	30.5
213.12723	8.2
219.11726	6.2
220.12407	7.9
221.13251	7.1
223.14842	17.9
223.68829	3.3
225.09138	4.0
225.12724	17.4
225.16313	5.7
227.14252	3.9
233.13239	3.9
234.14168	6.3
235.11174	4.7
235.14824	18.2
237.12703	5.6
239.10548	7.8
239.14354	6.1
241.15881	5.6
244.12477	8.0
247.14798	3.9
249.16374	22.0
251.14276	18.2
253.12260	13.4
253.15871	20.8
259.14801	4.5
262.13596	16.2
267.17383	37.4
269.15332	18.1
277.15869	44.9
285.18552	4.3
295.16922	100.0
313.18018	61.9
316.80630	3.9
337.18112	16.6
343.18991	8.0
355.19080	85.5
373.20105	16.0
397.20004	17.9
415.21198	20.1
417.20645	6.1
433.22043	5.3
537.24976	5.1
734.33545	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	734.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08649	4.4
70.49849	3.8
91.05490	6.2
93.07050	7.3
95.05008	4.3
95.08611	6.6
97.06550	6.1
105.03400	49.5
105.07023	18.0
106.05607	4.8
107.08600	8.9
107.82059	4.8
109.06529	8.6
109.10187	7.7
111.04435	8.4
119.08559	18.0
131.08578	18.6
133.06509	9.5
133.10059	15.7
137.09621	5.3
143.08563	23.5
145.06494	5.4
145.10121	10.2
147.08064	19.2
147.11760	5.9
149.06012	8.2
155.08556	19.7
157.10153	20.3
157.72635	5.6
159.08133	31.6
159.11679	6.1
165.38631	4.9
169.10097	26.3
171.08067	7.8
171.11694	5.9
173.09612	9.1
183.11696	28.1
185.09633	8.3
187.11162	4.6
188.59900	4.6
192.09323	5.2
193.10074	19.0
195.11740	26.5
197.09647	27.7
197.13327	6.9
199.11131	6.9
205.10152	5.8
206.11063	8.3
206.30568	5.0
207.11749	36.5
209.09579	10.2
209.13246	5.8
211.06863	4.8
211.11296	9.1
211.14876	7.0
213.12889	6.9
219.11758	9.8
220.12410	8.9
221.13319	17.6
223.11186	19.5
225.12735	24.0
225.16341	6.5
234.10359	6.4
234.14076	29.6
235.11148	19.5
235.14874	25.2
237.12694	5.4
244.12534	9.3
247.11220	9.1
247.14841	10.7
249.16431	36.0
251.14282	9.2
253.12283	6.0
253.15860	6.4
259.14865	22.0
262.13589	21.1
265.15839	16.5
267.17471	9.6
277.15927	100.0
291.19580	4.7
295.16940	94.7
313.17941	38.6
337.17978	24.1
355.19000	52.7
397.20279	22.0
414.09174	4.5
415.21075	18.5
446.88058	5.1
536.58093	5.0
574.69836	4.9
597.27283	6.5
639.29291	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	734.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97116	1.0
55.38629	1.0
56.95057	1.0
74.36560	1.0
79.05489	9.8
81.07047	1.4
91.05464	1.1
92.17842	1.3
95.04991	1.8
104.88200	1.1
105.03391	12.4
105.07038	10.3
107.04951	100.0
120.08086	20.2
131.04907	1.3
133.06479	1.9
138.98570	1.1
145.10158	1.3
149.05992	30.5
155.08502	8.7
165.06956	2.0
167.08546	8.0
169.10129	5.0
179.08533	10.0
180.10197	97.6
181.10123	8.1
183.08063	1.1
183.11714	2.2
192.09334	6.8
193.10168	6.1
194.10907	13.3
195.11731	5.7
197.13289	1.6
204.09355	5.9
206.10840	1.4
207.11716	6.7
209.13229	19.4
211.11194	4.7
219.11707	14.7
221.13292	1.4
222.10634	5.9
223.14497	1.4
227.14247	1.5
237.12764	16.1
244.12460	10.7
251.23732	1.4
255.13800	2.0
267.17722	1.3
271.23920	1.0
295.16962	4.5
297.14771	7.5
359.16296	1.1
416.22275	6.4
476.24268	45.2
598.27936	17.7
734.35529	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37637	0.8
55.41277	0.8
73.00218	0.8
76.23763	0.8
79.05492	9.4
85.15785	0.9
91.05481	5.5
95.04989	1.3
95.08572	1.0
105.03395	26.1
105.07024	7.3
107.04953	100.0
107.08597	1.4
109.06473	1.0
119.04951	1.1
119.08532	2.1
120.08105	20.8
126.99857	0.9
131.04883	1.4
133.06483	1.0
134.09648	0.8
136.07556	3.5
137.05972	1.3
145.06548	1.4
147.08189	0.9
149.05971	23.5
153.40887	0.9
155.08542	1.9
157.10127	1.4
165.06955	1.0
167.08551	5.4
169.10124	2.2
179.08531	5.5
180.10204	94.7
181.10124	6.0
181.21861	0.9
183.11732	2.0
193.10110	4.7
194.10913	8.6
195.11665	1.7
204.09387	4.8
206.10948	1.5
207.11674	4.2
209.13249	19.1
210.11285	3.9
211.11171	3.4
219.11682	19.5
221.13176	1.6
222.11436	9.1
223.11327	1.0
235.11151	1.1
237.12724	11.0
244.12563	1.6
255.13753	3.9
257.43988	1.0
259.14856	1.0
295.16876	1.9
297.14874	5.4
401.17084	1.1
458.23199	3.4
471.05865	1.1
476.24365	5.0
509.21664	1.1
580.27094	8.4
598.28003	23.2
718.93933	1.2
734.35443	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	734.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98217	1.0
65.03914	1.0
67.50840	0.9
67.63289	1.0
71.04964	1.0
71.41740	1.0
79.05499	11.2
95.04958	1.9
105.03391	10.4
105.07016	10.2
107.04951	100.0
119.08629	1.5
120.08097	20.9
133.06491	2.7
143.08517	1.7
143.25847	1.2
145.10069	1.4
149.05983	23.6
155.08530	5.2
165.07011	1.5
167.08549	7.9
169.10127	4.9
179.08551	7.0
180.10214	84.5
181.10104	6.5
183.11725	2.1
192.09341	4.6
193.10110	5.9
194.10812	11.1
195.11688	7.2
197.13307	1.5
204.09358	7.4
206.10933	1.3
207.11681	6.1
209.13205	17.8
211.11189	6.3
219.11670	12.3
221.13298	2.5
222.10939	4.9
225.12712	1.6
237.12698	17.0
244.12462	5.3
255.13649	2.3
295.16946	2.6
297.14792	5.7
298.19702	1.2
393.84995	1.1
394.68875	1.1
416.22235	6.3
476.24265	43.7
536.59235	1.1
580.26501	1.2
598.27960	16.7
602.95154	1.1
734.35645	14.1
761.67035	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	735.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	15.5
65.82877	5.5
67.05512	65.9
67.20940	6.8
69.03429	13.7
69.07069	25.3
79.05504	95.3
81.03420	36.6
81.07060	91.9
81.29536	5.8
83.04981	14.5
83.08621	10.3
91.05485	59.9
93.07044	100.0
94.62859	6.8
95.04953	28.9
95.08607	55.7
96.03934	5.6
97.02858	8.2
97.06551	7.4
97.10091	6.6
103.05484	7.6
105.07061	52.9
107.04944	24.6
107.08601	35.2
109.10164	12.6
117.07001	12.2
119.08566	68.6
121.10146	34.5
129.06949	9.5
131.08606	22.0
133.10110	31.6
135.11703	10.1
145.10150	29.0
147.11684	39.0
149.13219	8.8
159.11693	8.7
161.13261	14.3
169.10106	8.3
171.11644	35.3
275.20123	33.6
281.17471	39.7
349.23737	7.6
350.22141	7.5
360.57266	8.2
475.30603	77.6
514.42712	9.4
555.36743	80.4
573.37738	30.4
619.34961	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	736.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77559	0.4
69.03397	0.6
69.07082	0.5
91.05473	56.6
92.17890	0.6
93.07026	1.1
95.04959	2.1
96.94892	0.4
103.05461	2.6
104.80941	0.4
105.03391	12.9
105.07018	2.8
107.08534	0.6
109.06516	0.5
114.09188	0.7
119.04934	10.7
119.08516	0.6
121.06521	1.8
121.10081	0.8
129.07108	0.4
131.08553	0.8
131.82658	0.4
133.06470	0.8
133.10120	1.7
134.09642	10.6
135.08084	0.6
137.06012	0.4
142.07736	0.6
143.08577	0.8
145.10114	0.6
147.07996	0.6
149.05971	0.6
149.09595	0.8
157.10049	0.7
159.08023	0.9
161.09650	0.5
167.08517	0.5
169.10083	0.9
171.08092	0.6
171.11646	0.8
173.09645	0.7
174.58891	0.5
177.09084	0.4
179.64540	0.6
181.10033	1.0
183.07980	0.7
183.11662	1.7
187.11209	0.5
193.10117	1.0
195.11719	0.8
199.07501	0.5
199.11162	2.1
209.09727	0.6
209.16461	0.5
210.11238	100.0
213.12663	0.9
220.12415	0.6
221.13159	0.6
223.11128	0.5
225.09105	0.5
227.14395	0.7
233.09637	0.5
235.11174	0.5
235.14922	0.7
239.14291	0.7
253.15897	0.7
263.14380	0.9
267.13770	0.9
281.15344	0.8
309.14783	0.6
327.15851	2.3
736.53656	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	736.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43385	1.2
52.53013	1.3
53.03959	1.3
59.51709	1.3
66.36035	1.3
68.56060	1.7
95.04948	8.5
105.03397	100.0
105.04501	4.2
105.07039	3.1
133.06483	2.1
141.81432	1.6
143.08511	1.9
149.09589	1.9
151.07527	3.0
155.08588	1.7
159.08058	2.4
169.10072	2.6
181.10121	2.4
183.11700	2.0
193.10185	2.4
195.11691	2.4
196.08867	2.1
197.09586	3.5
199.11156	17.2
207.11615	2.5
209.09685	2.7
211.11165	17.5
223.11125	3.7
223.14674	2.1
225.12743	9.5
227.10649	14.8
253.12259	7.4
263.14383	3.0
265.15845	1.6
271.13297	2.1
281.15320	1.5
288.48343	1.6
293.15317	3.0
311.16425	6.2
313.14310	38.7
339.29376	1.8
373.16507	15.4
415.19003	5.6
475.21103	2.6
597.25128	2.7
713.44037	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	736.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74751	3.3
53.82071	3.2
54.25311	2.9
55.67618	3.2
69.79529	3.1
71.19036	3.5
73.86873	3.2
74.06086	14.2
91.05492	4.3
107.72083	3.9
115.46028	3.4
118.49079	3.9
119.04912	8.7
121.85831	3.2
132.08122	37.4
145.64195	4.6
150.09158	32.6
178.08586	19.3
192.10245	36.2
207.11655	4.7
220.09663	100.0
249.16499	4.7
259.14716	5.3
277.15829	7.8
295.16913	5.6
317.37216	3.6
769.17316	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	736.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50748	0.9
53.03946	1.0
77.03909	1.3
77.30355	1.1
93.07058	1.3
95.04954	9.4
95.08596	1.2
105.03390	100.0
105.04519	4.5
105.07022	6.8
107.08577	1.5
119.08562	5.5
121.06501	2.2
129.07040	1.1
131.08549	1.9
133.06491	4.9
133.10143	1.5
135.08078	1.2
142.07706	1.3
143.08565	6.4
145.10118	5.3
149.05919	1.1
151.07584	1.8
155.08490	4.9
157.10139	6.0
159.08038	1.4
163.03860	1.1
165.07007	1.0
167.08572	4.6
169.10126	5.2
171.08165	1.2
171.11591	1.3
179.08554	4.6
180.09389	1.7
181.10127	8.7
183.11705	10.5
192.09352	4.4
193.08649	1.0
193.10074	8.8
194.10880	4.5
195.11670	16.0
196.08952	1.1
197.09558	1.3
197.13219	4.2
204.09315	1.1
205.10141	2.4
206.10812	2.0
207.11690	15.2
208.12564	1.6
209.13164	10.0
211.11162	21.4
219.11699	6.2
220.12479	3.9
221.13254	4.2
222.10394	1.0
223.14886	1.2
225.12801	4.5
229.10199	2.3
232.12538	1.6
233.13283	2.5
234.14055	5.7
235.11200	1.9
235.14799	5.7
237.12674	8.9
239.17944	1.2
244.12431	6.4
247.11179	2.1
247.14792	5.7
249.16377	9.4
251.14302	1.3
253.12236	1.3
255.13724	2.5
259.14874	5.5
262.13647	5.3
265.15833	1.7
267.17429	4.4
277.15860	17.4
295.16953	11.6
297.14780	7.4
337.17923	8.0
355.18909	4.2
385.68173	1.2
397.20230	7.9
399.19458	4.7
408.12421	1.1
411.56329	1.2
459.21487	8.7
519.23682	10.7
599.26434	1.5
641.27191	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	736.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.1
59.34054	2.6
63.41122	2.6
69.07056	3.3
71.42319	2.7
79.05472	3.5
81.07053	5.8
91.05471	4.7
93.07032	13.5
95.08609	4.2
105.07029	20.8
107.08583	5.3
109.06499	15.8
109.52658	2.8
112.47212	2.9
119.08569	37.5
121.06548	3.1
121.10150	2.6
123.08069	2.7
125.64080	2.6
129.06995	5.7
131.08568	12.3
133.10121	14.7
135.08063	3.7
143.08583	20.1
143.41916	2.7
145.06488	5.1
145.10130	15.7
147.08058	13.1
149.09587	5.0
155.08571	10.9
157.10107	21.9
159.08086	17.1
159.11617	4.0
161.09587	12.1
165.07082	3.7
167.08495	5.1
169.10127	29.3
170.10938	3.0
171.11703	16.3
173.09583	10.9
175.11169	3.4
178.07761	3.2
179.08499	15.7
180.09396	3.2
181.10147	18.2
183.11700	23.5
185.09541	5.6
185.13264	18.4
187.11127	6.1
189.12703	3.5
189.17274	2.7
192.09372	10.3
193.10152	14.7
195.11682	38.1
196.12514	3.3
197.09650	12.1
197.13321	5.4
199.11195	5.5
201.12720	4.9
206.10875	35.4
209.09491	4.6
209.13246	17.7
210.10463	2.9
211.11143	10.5
211.14806	37.4
213.12715	24.6
215.14323	3.4
221.13222	78.0
223.11142	12.6
223.14731	4.1
225.12813	3.4
237.12781	11.1
237.16389	12.2
239.11891	3.1
239.14264	85.1
241.15865	3.8
251.17920	15.3
255.13641	3.8
255.17442	13.4
257.15234	22.8
269.19025	26.4
279.17416	45.6
290.48358	3.1
297.18439	61.5
299.16373	38.0
315.19574	17.5
317.17438	100.0
339.19537	18.9
357.20615	50.6
359.18500	36.6
375.21716	11.3
399.20901	3.3
417.22672	44.9
429.11859	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	737.2776
Annotation	Siphonol E
Peak:m/z	Relative Intensity
62.35378	1.7
71.09329	1.7
81.07085	2.4
82.62728	1.7
91.05437	2.4
95.04968	3.7
98.26816	2.1
99.54872	1.8
105.03390	60.2
105.04507	2.0
105.07042	2.8
107.08591	3.4
121.06483	3.0
133.06480	7.4
133.59375	2.0
137.09573	2.1
145.06461	2.3
149.06059	2.2
157.10123	4.3
161.09592	2.7
167.08548	2.2
169.10210	2.2
171.11559	2.5
179.08548	2.1
181.10051	7.2
183.11714	3.3
193.10124	2.4
195.08109	2.7
195.11775	6.7
197.09532	2.3
199.11340	3.2
207.11737	3.1
209.13329	1.9
211.10904	2.1
217.10272	3.6
223.11160	3.8
250.13609	2.6
251.14468	2.2
265.15744	2.3
293.15421	3.3
363.84106	2.3
615.25708	2.0
617.23315	9.6
677.25787	39.2
737.27777	100.0
737.40845	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	737.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67074	3.2
62.63989	3.0
105.03381	33.5
147.09123	4.1
161.09665	5.5
178.07744	5.1
179.08554	16.6
181.10124	8.4
183.08084	4.6
192.09355	14.0
193.10120	36.6
197.09583	4.7
199.11125	4.6
205.10092	21.8
207.11700	39.2
209.09706	14.5
211.07536	5.2
211.11194	18.8
217.10164	6.2
223.11136	7.4
225.12857	5.1
225.79945	4.3
235.11203	27.2
253.12195	23.7
320.49451	4.8
367.91043	4.1
377.13474	14.7
437.15518	26.1
497.17236	4.9
653.24359	4.5
677.25775	30.4
737.27606	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	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.0
55.20922	1.9
57.03449	2.1
59.06125	16.1
60.04531	68.6
64.53425	2.1
67.05209	2.3
67.05509	31.3
69.07052	8.5
79.05495	33.9
80.40067	1.9
81.07054	29.9
83.04979	4.2
83.08612	4.3
91.05477	24.0
93.07037	47.5
95.04957	8.6
95.08600	24.4
101.07141	21.5
102.07471	2.7
102.09172	11.9
102.12817	2.4
102.21786	2.0
105.07018	17.6
105.56165	2.1
107.08586	12.5
109.10130	4.4
115.97122	2.4
117.06998	3.4
119.08579	11.5
121.10131	11.8
123.08018	2.7
129.06975	10.9
131.08554	5.0
133.10126	4.9
135.11670	4.3
143.08517	3.0
145.10121	4.2
147.11685	23.8
159.11667	2.7
161.13228	4.0
171.11658	13.9
189.12831	3.5
207.13647	2.5
236.55995	2.0
279.16180	2.1
281.17474	30.4
314.01135	2.2
335.25787	19.4
379.03769	2.2
399.87509	2.1
399.94345	2.3
466.69202	2.6
541.38849	100.0
556.75507	2.4
559.40015	4.5
580.19873	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	738.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
56.11407	1.5
57.03440	2.7
59.06106	2.7
60.04535	21.1
67.05515	34.6
69.07057	8.2
70.56253	1.7
73.51733	1.7
76.52975	2.1
79.05492	37.9
81.07064	32.4
83.08629	3.2
91.05489	21.3
93.07047	40.1
95.04955	4.3
95.08598	24.3
97.10159	2.6
99.97376	1.9
101.07137	8.9
105.07050	15.4
107.04937	2.3
107.08600	15.1
109.06547	2.2
109.10155	11.3
110.31271	1.9
117.07022	2.9
119.08549	8.8
121.06404	1.8
121.10117	15.0
123.08057	4.0
129.06989	8.1
131.08578	2.8
133.10164	13.3
135.11690	4.1
137.78949	2.1
145.10124	4.3
147.11707	22.1
149.13240	3.0
161.13211	8.6
171.11671	10.8
175.14909	1.9
183.67490	2.2
189.12775	1.9
205.82132	2.0
207.13902	3.0
261.22141	2.2
281.17493	24.6
289.03104	2.1
309.51608	1.9
335.25821	23.1
426.70715	2.0
541.38953	100.0
551.68384	1.7
559.39978	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	740.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29211	1.1
62.62773	1.0
74.06067	7.4
79.05494	9.1
81.07061	1.9
91.05487	1.4
91.49781	1.1
92.18549	1.8
95.04951	1.3
105.06992	9.3
107.04952	90.3
108.48944	1.2
119.08593	2.2
120.08105	28.2
131.04941	2.2
131.08566	2.8
133.10078	1.6
143.08554	4.6
145.10127	1.5
149.05949	19.2
155.08565	2.5
157.10051	1.7
159.08051	2.8
167.08499	1.3
171.08119	1.3
173.09723	2.1
180.10190	100.0
181.10057	4.9
183.11708	2.5
193.10109	1.6
194.11232	1.2
195.11700	6.8
204.09439	1.5
206.10892	2.6
207.11728	5.5
208.12482	2.1
209.13228	5.7
216.19398	1.1
219.11679	7.5
220.12392	4.2
221.13217	5.7
222.11224	6.8
223.11205	2.2
231.11690	11.8
232.12408	1.4
233.13290	2.3
236.15518	1.6
237.12747	2.2
237.16409	2.5
246.14078	16.7
251.17891	5.8
256.58353	1.3
261.16379	29.6
279.17398	13.2
281.18491	1.2
297.18588	1.6
339.19565	2.3
381.20511	2.0
399.21738	1.7
414.34805	1.2
499.37372	1.4
500.28299	1.4
507.15332	1.2
533.63513	1.3
578.31055	6.9
620.32220	5.2
638.33313	6.3
640.79047	1.4
680.34479	11.4
740.36255	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	740.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09146	1.0
63.66560	1.4
67.05505	1.2
74.06062	8.0
79.05487	11.1
85.19145	1.4
91.05478	1.8
93.07046	2.5
98.94958	1.3
105.07024	14.1
107.04948	100.0
107.08572	5.5
119.08578	5.5
120.08100	29.9
131.04913	4.5
131.08536	3.1
133.10081	5.4
134.09631	2.9
135.07999	1.4
143.08563	4.9
145.10118	2.9
149.05946	19.4
155.08519	3.1
157.10091	1.9
159.08026	2.6
162.09129	1.3
169.10074	2.2
180.10184	97.3
181.10175	4.6
183.11652	2.3
192.09314	1.5
193.10075	2.7
194.11694	6.8
195.11693	7.0
205.10101	1.9
206.10928	4.9
207.11687	4.9
209.13275	7.0
211.14746	1.3
217.10168	2.3
219.11667	7.9
220.12520	2.1
221.13187	4.8
222.11215	8.0
223.11273	2.0
231.11655	16.8
232.12395	1.9
233.13132	2.3
235.14786	2.4
236.15437	1.8
237.12735	2.2
237.16415	2.1
246.02664	1.3
246.13971	17.8
251.17966	2.2
261.16357	34.6
263.18005	2.0
277.80865	1.3
279.17395	14.4
297.18329	4.5
321.18341	6.5
337.06873	1.3
339.19513	5.0
381.20718	2.1
500.27863	2.1
578.30927	2.8
620.31818	1.6
638.32819	9.6
680.34125	11.9
740.36517	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	740.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29211	1.1
62.62773	1.0
74.06067	7.4
79.05494	9.1
81.07061	1.9
91.05487	1.4
91.49781	1.1
92.18549	1.8
95.04951	1.3
105.06992	9.3
107.04952	90.3
108.48944	1.2
119.08593	2.2
120.08105	28.2
131.04941	2.2
131.08566	2.8
133.10078	1.6
143.08554	4.6
145.10127	1.5
149.05949	19.2
155.08565	2.5
157.10051	1.7
159.08051	2.8
167.08499	1.3
171.08119	1.3
173.09723	2.1
180.10190	100.0
181.10057	4.9
183.11708	2.5
193.10109	1.6
194.11232	1.2
195.11700	6.8
204.09439	1.5
206.10892	2.6
207.11728	5.5
208.12482	2.1
209.13228	5.7
216.19398	1.1
219.11679	7.5
220.12392	4.2
221.13217	5.7
222.11224	6.8
223.11205	2.2
231.11690	11.8
232.12408	1.4
233.13290	2.3
236.15518	1.6
237.12747	2.2
237.16409	2.5
246.14078	16.7
251.17891	5.8
256.58353	1.3
261.16379	29.6
279.17398	13.2
281.18491	1.2
297.18588	1.6
339.19565	2.3
381.20511	2.0
399.21738	1.7
414.34805	1.2
499.37372	1.4
500.28299	1.4
507.15332	1.2
533.63513	1.3
578.31055	6.9
620.32220	5.2
638.33313	6.3
640.79047	1.4
680.34479	11.4
740.36255	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	740.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09755	1.1
57.90460	1.4
64.32930	1.3
65.05721	1.6
67.30225	1.5
74.06067	7.8
78.16286	1.5
79.05484	9.2
91.05466	2.9
105.07031	13.6
107.04954	100.0
107.08594	3.4
119.08568	5.9
120.08102	31.3
120.26118	1.6
121.10179	2.5
131.08562	5.8
133.10118	3.0
135.08017	1.8
143.08568	3.1
145.10176	1.6
149.05966	20.6
155.14276	1.6
157.10088	2.3
167.08499	1.8
168.51157	1.5
169.10091	2.3
180.10208	81.0
181.10149	3.0
185.41049	1.6
193.10069	2.9
194.11787	2.1
195.11737	6.0
197.70482	1.4
206.10936	6.1
207.11774	2.8
208.51035	1.7
209.13260	3.6
219.11752	3.6
221.13257	3.1
222.11256	6.0
223.11174	2.7
230.80788	1.5
231.11626	12.4
233.13280	2.0
235.14709	2.6
236.15753	1.6
237.16302	2.1
246.14078	14.4
249.16330	2.1
251.17998	5.9
261.16379	30.2
279.17450	16.7
297.18484	2.5
321.18393	2.9
339.19583	3.2
357.20673	1.9
560.29681	2.0
620.32294	3.2
638.32819	5.3
680.34149	15.3
740.37128	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	740.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38841	1.1
69.21485	1.2
74.06068	5.6
79.05495	9.5
91.05459	2.7
91.60412	1.1
105.07019	12.4
107.04952	100.0
107.08537	1.2
109.68945	1.6
119.08569	5.2
120.08104	26.3
121.10158	2.5
129.06975	2.2
131.04897	2.9
131.08542	1.2
131.68773	1.2
133.06546	1.2
133.10136	5.1
134.09648	5.3
135.08087	1.2
143.08557	5.6
149.05986	22.6
155.08534	2.2
157.10153	2.7
159.08012	1.4
164.12106	1.3
169.10126	2.5
171.11668	1.3
180.10196	91.1
183.11714	1.7
193.10118	2.1
194.11806	2.1
195.11711	7.0
206.10867	2.7
207.11668	2.8
209.13260	6.4
219.11732	6.7
220.12567	2.4
221.13284	2.4
222.11218	7.7
231.11601	12.0
232.12520	2.7
233.13457	1.3
235.14786	2.4
237.12758	2.3
237.16411	2.6
245.13179	1.6
246.13994	15.1
251.18033	2.2
261.16312	26.9
279.17453	15.2
297.18243	1.9
321.18515	3.0
339.19598	6.0
500.27734	1.5
578.31305	5.0
620.31879	2.4
638.32904	6.7
680.33875	9.9
740.36920	4.7
768.95001	1.3
773.45380	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	740.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21518	1.0
62.01226	1.2
63.81175	1.1
74.06063	2.9
77.10265	1.3
79.05510	9.3
81.07019	1.9
88.86389	1.5
91.05442	2.7
105.07027	11.8
107.04953	100.0
107.08572	2.1
117.06975	1.6
119.08555	3.1
120.08094	22.5
124.36116	1.4
129.07022	1.6
131.04932	1.4
131.08575	2.8
133.10143	1.6
134.09639	8.6
135.08051	1.6
143.08548	6.0
145.10150	1.5
149.05954	21.4
152.43863	1.3
155.08621	1.7
157.10165	1.6
167.08484	2.0
169.10132	1.9
179.08603	2.1
180.10204	71.6
181.10187	3.2
193.10091	1.7
194.11803	29.7
195.11707	8.4
204.09393	1.9
205.10190	1.7
206.10922	2.8
209.13269	5.6
219.11717	7.3
220.12503	1.8
221.13277	5.4
222.11218	6.9
223.11177	1.8
225.38954	1.2
231.11671	10.4
233.13245	1.9
235.14809	2.6
246.13998	16.7
251.17903	7.3
261.16376	24.2
279.17453	11.1
297.18439	3.3
321.18607	2.8
339.19476	1.8
578.30511	2.6
620.31677	5.5
638.33105	3.2
680.34216	5.7
740.36389	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	740.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85688	1.0
59.04984	2.1
79.05482	6.6
81.07041	1.3
91.05502	2.5
93.07034	5.3
105.07042	2.3
107.04955	100.0
119.08602	2.3
123.31822	1.2
131.08575	7.0
134.09648	36.3
134.10629	1.9
143.08549	5.3
149.05963	20.8
155.08565	2.0
165.06999	1.6
167.08623	2.2
169.10149	5.9
179.08575	10.2
181.10121	8.6
183.11652	8.6
191.08510	2.3
192.09274	2.6
193.10168	5.8
194.11778	61.6
195.11757	4.5
197.13286	1.9
206.10963	19.0
211.14781	10.3
221.13208	24.6
223.14893	6.2
225.88994	1.3
239.14282	13.7
299.16537	2.4
341.17383	1.9
474.26505	15.3
492.26874	2.1
534.28485	80.1
622.33899	32.0
662.37018	2.0
680.38116	11.5
740.39557	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	740.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.7
60.26212	1.1
62.38028	1.0
71.04003	1.0
72.53905	0.9
74.67744	0.9
79.05492	4.7
81.07045	1.6
81.15910	1.1
83.18768	1.0
88.07635	2.0
91.05470	3.7
93.07033	5.2
105.07045	2.0
107.04958	100.0
116.10770	1.0
119.08595	2.5
129.06990	2.6
131.08600	7.3
134.09659	37.5
143.08568	5.3
147.08031	2.1
149.05988	20.0
155.08525	2.2
157.10139	1.5
159.08058	1.2
165.06979	1.5
169.10109	6.5
179.08568	6.6
180.09351	2.0
181.10075	7.2
182.74139	1.1
183.11673	8.0
191.08583	3.9
192.09250	1.4
193.10176	5.1
194.11783	62.2
195.11682	4.9
197.09660	1.5
205.10251	1.1
206.10892	18.0
208.12550	1.5
211.11299	1.6
211.14879	10.6
221.13264	26.0
223.14848	6.1
239.14299	13.8
283.58359	1.3
299.16513	4.8
474.26178	14.0
474.43011	1.3
534.28503	76.4
622.33716	34.0
662.37030	2.1
672.72748	1.2
680.37909	9.4
740.39758	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	740.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
59.05008	1.9
60.41029	0.8
72.04531	1.1
79.05502	8.2
86.63721	0.9
88.07616	1.2
91.05492	1.3
92.17812	1.5
93.07047	4.2
97.29943	0.8
98.16813	0.9
105.07056	3.5
107.04955	100.0
119.08546	2.1
129.06978	1.6
131.08583	6.1
134.09651	35.1
143.08569	5.0
147.08069	1.7
149.05975	19.6
155.08546	1.9
161.00499	0.9
165.06924	1.3
167.08495	1.4
169.10141	4.2
178.07779	1.2
179.08583	8.1
180.09273	1.3
181.10056	7.1
183.11694	8.2
191.08598	4.4
192.09357	4.1
193.10141	6.1
194.11787	59.3
195.11722	5.1
197.13248	1.3
205.10179	1.3
206.10910	15.4
207.74097	1.0
208.12535	1.6
209.13309	1.2
211.14807	13.8
221.13234	29.2
223.14790	4.6
237.12593	1.0
239.14285	12.7
250.35895	0.9
251.18065	1.1
269.19037	1.3
281.15417	1.0
299.16403	5.6
341.17450	1.2
474.26291	14.7
534.28497	71.8
622.33746	34.5
680.37866	8.8
740.39838	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	740.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34105	2.4
67.05466	3.8
71.08642	2.5
74.12486	2.4
79.05504	13.5
94.28585	2.8
105.03403	3.9
105.07029	12.4
107.04951	100.0
119.08592	10.6
132.40413	2.6
134.09702	4.1
148.84816	2.7
149.06000	16.8
169.10176	6.1
194.11787	69.5
195.11661	5.3
206.10907	2.9
211.14841	5.6
221.13277	5.9
223.14835	3.7
337.25281	3.3
515.19861	2.7
532.66162	3.4
614.31244	6.5
740.41406	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.5
56.70839	3.4
57.03433	8.0
57.07078	5.4
67.05503	55.9
69.07060	16.9
75.95623	4.1
79.05485	9.4
79.06436	3.9
81.07050	69.6
83.08620	21.8
85.83624	4.1
91.05461	9.7
93.07027	9.8
95.08611	40.6
107.08572	9.8
109.10161	20.7
119.08578	6.6
121.10125	10.5
129.28410	5.0
133.10132	17.3
135.11687	8.8
147.11691	9.6
152.34262	3.8
180.50511	4.0
186.82811	4.2
233.18921	6.6
235.20627	15.3
266.04800	4.4
309.24185	100.0
311.25812	4.7
543.44171	27.4
561.45056	50.3
704.46704	5.0
734.47668	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	741.2027
Annotation	Epicatechin-(4beta->8)-epicatechin-3-O-glucoside
Peak:m/z	Relative Intensity
59.84823	1.6
62.17334	1.6
66.62708	1.7
69.03421	3.2
84.97369	2.1
85.02911	2.3
96.99711	1.7
101.02020	2.0
109.84309	2.0
111.04424	2.3
114.54185	1.8
123.04419	56.8
126.94415	1.9
127.02982	3.4
127.03910	100.0
131.73633	1.6
135.04422	43.1
137.02293	2.6
139.03894	86.5
147.04401	7.0
149.02339	3.2
151.03931	22.0
161.05963	2.8
163.03897	50.8
165.05486	8.4
167.03362	3.1
177.05428	4.4
179.03510	2.9
187.03911	2.4
191.03442	12.7
196.26974	2.0
201.05394	2.5
203.03365	7.1
205.04924	4.4
215.07076	2.0
229.04997	9.3
233.04430	16.1
241.04991	2.0
243.06578	10.2
245.04535	9.5
247.05992	61.7
255.06500	2.8
257.04449	18.1
259.06161	15.3
259.37952	2.1
269.04465	2.7
271.05969	23.1
273.07425	3.6
274.52991	1.9
275.05478	8.5
283.05957	10.2
287.05490	23.1
289.07068	43.4
291.08606	23.8
299.05515	3.8
301.07098	18.4
313.07153	3.4
355.37155	1.8
409.09048	18.5
427.10220	31.8
453.13821	14.3
507.45755	1.9
571.14166	2.8
579.14716	10.4
589.15338	9.3
741.20526	2.5
753.39398	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	741.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99858	3.8
63.85969	3.4
69.07065	5.6
72.08186	3.2
73.01769	3.2
81.07050	4.4
83.04958	8.1
92.17863	7.2
92.54958	3.7
95.08612	7.1
97.20046	3.3
99.08085	4.3
107.08566	21.7
109.10161	6.5
111.79460	4.8
112.74220	3.9
121.10115	20.0
123.04331	4.2
125.09610	6.8
133.10109	5.0
135.08046	5.4
138.32066	4.1
139.03865	8.8
149.09567	6.3
149.13225	16.3
151.11174	48.3
163.03961	5.5
163.14810	7.3
165.12872	4.0
173.13232	8.7
191.14305	51.4
209.15340	100.0
283.06195	4.1
301.07025	4.5
301.24194	3.7
371.20557	7.7
371.49725	4.0
410.58829	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	741.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.0
69.03423	2.1
74.02548	0.8
79.51012	0.8
81.03402	4.5
83.04939	1.2
85.02899	11.9
93.06995	1.1
97.02868	1.3
107.04960	1.4
107.08585	4.5
109.02914	1.1
109.06506	1.1
110.77297	0.8
121.10106	6.7
123.04413	1.0
123.08052	1.0
127.03912	4.9
135.17043	0.8
137.09607	5.9
139.03932	2.0
145.04941	4.9
147.11725	1.0
149.09662	7.1
149.13249	5.1
151.11198	14.0
163.03909	1.7
165.12735	43.8
173.13217	1.2
191.14275	13.8
193.15926	1.0
209.15356	100.0
247.09369	0.9
283.06030	3.3
301.07047	5.0
371.20599	16.0
741.28229	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	742.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94223	3.9
68.87177	4.1
71.04993	6.8
81.03393	5.9
88.07627	22.0
91.05466	47.5
95.04960	8.3
105.03395	100.0
105.07047	9.2
105.47286	4.7
106.06546	25.9
118.06525	29.3
119.04936	44.4
133.06548	7.5
133.10048	4.9
136.07570	47.7
143.08533	9.9
159.08064	21.6
167.08595	5.1
171.07974	5.4
171.98166	4.0
182.08154	8.6
183.11595	4.8
193.10194	18.4
195.11700	5.8
197.13306	5.7
205.10054	5.2
206.11850	20.2
209.13211	4.8
211.11154	7.1
221.09576	5.2
221.13248	7.1
223.11266	5.7
223.14809	6.2
230.10890	6.1
233.13202	9.2
234.11368	8.0
235.14828	5.9
237.12843	9.0
245.13254	10.3
252.12199	36.8
263.14426	11.3
265.12155	6.2
273.12738	5.9
279.13879	5.7
281.15338	6.5
291.13791	19.7
293.63046	4.7
309.14828	28.5
327.15955	6.9
509.21555	20.7
563.06342	5.1
565.75055	5.0
604.85553	5.0
655.25159	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.9
58.06610	3.2
62.06092	91.2
68.99132	2.9
69.03433	3.2
70.80473	2.9
81.07043	5.0
83.08635	4.1
91.05476	94.4
93.07027	7.0
94.89737	3.0
95.08636	3.5
95.15144	3.2
102.57674	3.1
105.07032	20.3
107.04944	36.5
107.08577	6.5
108.05305	5.9
108.25987	3.2
113.42467	3.0
117.06985	12.5
119.04930	22.7
119.08593	18.1
119.24931	3.3
121.06471	3.6
121.10156	12.9
130.83586	3.2
131.08543	5.6
133.10120	22.0
134.09676	22.3
135.08069	28.2
135.10002	3.8
137.09500	3.9
143.08536	6.1
145.10107	6.7
149.05992	5.6
157.10095	6.6
159.11745	4.5
164.10667	14.9
169.10202	3.1
171.11536	4.6
173.09711	3.2
181.08647	3.0
183.11687	27.6
192.09268	4.8
194.11818	25.1
195.11873	6.3
197.13203	3.8
206.10919	4.0
207.11624	17.4
208.09715	22.2
209.13223	5.0
211.11304	3.6
211.14720	7.9
221.13307	4.2
222.13680	3.7
223.14838	5.6
226.10715	100.0
234.14001	4.0
239.14307	4.0
241.90259	3.5
246.97472	3.7
249.16345	23.8
267.17422	31.1
277.15686	4.7
285.18533	5.0
295.16922	6.2
476.26587	11.7
535.28375	7.7
536.28955	20.4
601.57690	3.3
624.33960	15.5
682.31293	34.7
712.32751	4.1
742.34149	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	742.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69696	2.9
53.00515	3.0
53.39922	3.0
57.07058	3.0
57.60634	3.3
60.04525	4.8
66.89087	3.5
69.07066	4.5
69.20393	3.1
79.05492	18.0
91.05465	6.0
93.07029	5.7
95.04949	4.3
95.08582	4.4
98.64608	3.6
103.05464	18.2
105.07033	35.2
106.06557	100.0
107.04948	51.2
107.08585	18.8
109.06538	4.7
119.08575	19.5
121.06522	6.7
121.10143	4.5
129.06973	6.9
131.04932	80.3
131.08569	8.2
133.06477	18.6
133.10153	26.3
141.61359	3.9
142.07808	4.9
143.08589	7.5
145.06491	5.3
145.10095	6.5
147.08090	14.4
148.07578	19.1
149.05975	15.2
155.08536	3.8
157.10094	14.3
159.07977	6.4
159.11639	4.1
161.09612	3.8
166.08627	24.7
167.08516	5.3
169.10190	11.0
171.08073	5.4
171.11690	4.9
173.09628	7.1
179.08594	7.7
181.10133	22.6
183.11716	20.4
185.09616	5.6
187.11250	4.0
190.08676	3.9
192.09322	7.0
193.10077	27.7
194.10928	4.9
195.11699	38.1
197.09601	7.7
197.13260	14.4
199.11198	6.5
205.10213	5.5
206.10924	7.8
207.11696	43.2
209.09573	6.8
209.13268	18.6
211.11215	15.0
217.10190	8.5
218.10913	3.5
219.11719	19.3
220.12433	22.5
221.09673	3.8
221.13254	19.2
223.11119	13.0
223.14842	18.3
225.12682	6.8
229.10146	7.2
232.12511	15.1
233.13222	8.4
234.13976	35.0
235.11221	14.4
235.14841	19.7
237.12856	8.4
237.16338	19.8
241.15956	5.5
244.12465	22.5
247.11124	7.6
247.14789	15.7
248.11955	4.1
249.16397	43.8
250.55470	4.1
251.14233	13.3
253.12363	5.6
259.14853	24.4
262.13486	26.0
265.15894	40.9
267.17480	21.6
277.15872	78.0
281.15225	5.0
283.16882	18.8
295.16837	59.4
304.76776	3.8
307.16946	6.3
313.18042	8.6
325.17853	17.5
337.17877	26.4
337.83368	3.6
355.19098	28.6
385.20062	6.2
397.20068	18.5
412.14087	3.5
415.20929	5.4
425.85986	3.7
457.22531	6.5
640.30542	4.8
682.32391	33.9
742.35388	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	742.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79520	2.7
60.55837	2.8
74.38008	3.3
76.27586	3.2
78.13316	3.1
79.05484	19.8
83.04994	3.6
91.05492	7.4
91.65356	3.4
93.07039	4.3
95.04960	6.2
95.08585	5.8
103.05500	13.9
103.57434	3.3
105.07027	24.2
106.06556	100.0
107.04948	45.1
107.08568	8.2
117.06986	7.0
118.09614	3.8
119.08579	26.4
120.08072	4.0
121.06506	3.6
129.06987	6.4
131.04932	69.7
131.08563	6.8
133.06508	8.3
133.10167	12.4
143.08563	19.0
145.06451	5.9
145.10118	8.1
147.08057	7.3
148.07561	7.6
149.05968	16.9
155.08560	5.9
157.10136	15.4
159.08093	5.0
166.08638	20.3
167.08488	6.7
169.10150	13.6
171.08014	3.6
171.11682	5.4
173.09622	5.3
175.07559	4.8
179.08493	6.8
180.09314	6.8
181.10146	20.6
183.11684	17.7
185.13281	5.1
187.11261	4.6
190.08688	8.3
191.08530	4.0
192.09338	18.0
193.10156	31.1
194.10786	7.3
195.11673	28.5
197.09576	14.0
197.13281	20.3
199.11057	4.1
205.10150	5.5
206.10956	3.6
207.11661	37.9
208.12520	6.3
209.09601	6.9
209.13246	18.5
211.11156	8.2
213.12694	4.2
219.11659	21.1
220.12456	7.1
221.09511	5.7
221.13275	15.6
222.14095	5.2
223.11266	8.2
223.14828	14.3
225.12727	7.6
225.16376	3.8
227.14279	5.3
229.10214	4.9
232.12383	3.7
233.09660	3.9
233.13304	6.3
234.14078	30.3
235.11139	7.9
235.14810	21.3
236.11949	4.7
237.12709	14.4
237.16342	14.8
239.14392	5.4
239.17908	5.3
244.12509	19.9
247.11111	6.4
247.14842	20.1
249.16345	41.7
251.14519	5.4
253.15869	5.5
255.17513	5.4
259.14758	23.3
262.13605	17.6
265.15842	36.7
267.17477	18.9
277.15845	78.0
283.16882	18.0
295.16946	57.1
307.16916	5.5
313.18069	13.9
325.18060	16.1
337.14590	3.4
337.17819	24.9
355.19070	24.6
367.18777	5.2
373.19690	4.1
385.20041	13.6
397.20184	7.9
415.20868	13.6
457.22391	5.0
502.87955	4.0
640.30963	3.7
682.32404	24.5
742.35541	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	742.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34742	0.7
53.01819	0.7
63.76714	0.8
67.82442	0.8
72.04520	0.8
76.70466	0.7
77.83213	0.7
79.05482	3.4
89.51837	0.8
91.05466	3.6
92.18507	1.7
95.08608	1.6
97.06528	1.5
103.05473	1.4
105.07038	4.6
107.04955	50.9
109.06518	4.5
111.04459	1.0
111.34461	0.8
113.06005	5.2
119.08598	2.0
123.04456	0.8
123.08113	1.0
125.05976	8.6
131.04919	7.3
131.08554	1.8
133.06503	3.3
134.09650	5.4
137.06000	0.9
138.71535	0.7
139.07587	1.1
141.07094	0.9
143.08528	4.0
145.06461	1.8
145.10114	1.5
147.08078	1.4
149.05984	11.6
151.07524	1.1
155.07048	0.9
155.08510	1.0
156.09204	1.0
157.06497	1.7
157.10152	3.6
159.08124	3.4
161.09637	2.0
163.46832	0.7
167.08507	0.8
169.10130	1.4
171.08109	1.3
173.09663	1.6
175.07529	6.5
179.08609	0.9
181.10201	3.5
183.08101	1.0
183.11787	1.8
185.09618	4.3
189.09071	1.2
193.10143	1.9
194.11765	45.8
195.11671	5.5
197.09605	3.7
197.13283	1.0
205.10194	1.3
206.10855	1.6
207.11650	5.7
209.09647	1.4
209.13193	1.7
210.11287	3.4
211.14803	1.4
220.12450	1.0
221.13080	5.7
221.84306	0.8
223.11217	4.2
223.14806	1.3
224.11780	0.9
225.12816	3.8
227.10770	1.4
233.13300	1.3
234.10310	1.0
235.14893	3.8
237.12804	1.7
239.14319	3.4
247.11177	1.2
248.11879	1.1
249.12619	3.1
261.95612	0.8
263.14276	3.0
267.13766	3.2
279.13919	1.1
281.15384	5.3
291.13983	3.6
309.14859	8.3
314.84698	0.9
327.15921	6.8
369.16974	5.3
387.18515	1.1
408.82016	0.9
549.22711	1.1
742.34290	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	742.3433
Annotation	Gliotide
Peak:m/z	Relative Intensity
53.62286	1.5
69.03418	2.0
79.05493	3.9
91.05473	11.2
92.17906	3.6
95.08569	2.4
97.06502	2.3
105.07025	2.4
106.06554	6.7
107.04955	58.5
107.57517	2.0
109.06519	2.1
119.04939	18.6
119.08549	2.1
121.10168	1.8
123.08022	1.9
125.05978	2.9
129.07097	2.1
130.65810	2.0
131.04942	7.7
131.08574	2.7
133.10103	1.9
134.09650	32.5
135.08041	2.4
142.07761	1.7
142.35185	1.7
143.08566	6.9
143.81773	1.7
145.10143	3.5
147.04385	25.5
147.08086	2.8
149.05940	13.1
153.05435	1.9
157.10153	7.2
159.08051	2.9
159.83737	1.6
161.09648	3.4
169.10107	3.7
171.08109	3.2
173.09650	2.6
175.11234	1.8
179.08551	2.2
181.10101	3.6
183.08246	1.9
183.11652	2.4
185.09535	3.2
187.07599	1.7
189.09099	1.7
189.12767	2.0
190.08858	2.2
193.10028	2.7
194.11739	46.5
195.11728	6.1
197.09563	1.8
197.13242	2.5
199.11122	2.0
203.10654	2.8
205.12233	2.6
207.11658	2.8
210.11263	9.3
211.11209	1.8
211.14861	2.8
221.13254	6.4
223.11084	2.8
225.12747	3.6
239.14375	3.8
249.12698	2.8
252.12244	17.7
261.59055	1.7
267.13824	3.6
281.15292	2.3
291.13605	1.8
295.16949	2.4
305.11267	1.6
309.14999	3.9
327.16135	2.2
355.19223	2.5
355.94440	1.8
369.16788	2.0
682.31586	11.5
742.34235	100.0
747.37067	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	742.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73575	1.3
58.06602	2.1
60.04521	3.2
62.06096	76.9
65.03938	1.4
65.48820	1.3
69.07075	1.8
79.05495	1.9
81.07059	2.0
89.04900	1.2
91.05482	86.3
93.07018	6.0
95.08603	2.2
97.06532	1.7
105.07011	14.6
107.04946	2.2
107.08604	9.1
107.13763	1.7
109.06491	2.4
117.06990	5.5
119.04958	20.2
119.08556	8.0
121.06536	2.5
121.10135	9.9
129.07059	2.0
131.08591	6.9
133.10139	11.3
134.09654	13.5
135.08054	21.1
143.08560	6.8
145.10143	6.3
147.08031	2.5
149.09660	1.7
155.08545	3.5
157.10115	8.8
159.11702	3.4
163.07582	2.4
164.10681	12.6
168.09344	1.7
169.10042	2.3
171.11681	2.0
177.09088	5.1
181.08690	2.2
181.10153	2.3
183.11722	14.9
193.10185	5.9
195.11674	2.4
197.13274	6.8
207.11702	9.8
208.09697	17.1
209.13263	2.6
211.14780	2.0
215.14104	1.7
219.11751	1.6
220.12378	2.2
221.13290	2.9
223.14778	3.0
225.12686	2.4
226.10736	100.0
234.14015	6.4
239.17992	5.5
249.16325	15.0
256.36612	1.5
267.17395	23.8
277.15924	1.7
285.18369	7.0
295.17026	7.4
313.18045	2.6
355.19138	2.6
476.26413	3.5
682.32086	34.0
742.34332	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	742.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06903	1.2
56.80468	1.3
66.07822	1.4
67.05516	1.5
71.11935	1.6
77.33894	1.5
79.05510	2.6
81.07037	1.6
91.05460	3.5
92.17950	1.5
93.07055	2.4
95.04956	3.3
97.06551	1.9
103.05461	22.4
105.07034	6.5
107.08578	2.7
109.10155	1.8
111.04476	2.2
119.08578	9.1
121.06493	2.5
121.10139	2.4
123.08096	2.2
131.04921	100.0
131.08585	2.1
133.10135	10.8
135.08119	1.9
143.08559	2.8
145.06390	2.0
145.10121	2.3
147.08046	3.6
148.00627	1.5
149.09619	1.9
151.11221	1.7
153.23579	1.8
155.08485	2.5
157.10115	2.6
159.08035	2.2
159.11655	2.7
161.09637	3.5
169.10150	2.0
171.11685	7.9
173.09668	1.8
175.07411	2.3
177.09157	1.9
181.10098	2.2
187.11145	2.9
187.66916	1.5
195.11646	1.9
197.13278	3.2
199.11136	1.8
207.11713	3.4
211.11169	5.6
220.12505	1.9
225.12747	2.4
227.10739	1.8
235.50810	1.8
249.16336	6.0
267.17477	7.9
277.15790	11.5
284.90497	1.6
285.18481	2.5
295.16888	27.7
313.17957	16.6
337.18188	2.0
355.19006	20.1
397.20313	2.0
415.21021	2.3
503.24176	14.0
545.25452	5.9
605.27179	2.3
724.44415	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	742.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93309	0.9
61.38591	0.8
64.39001	0.9
67.05489	0.9
79.05486	1.6
79.33558	0.9
81.07062	1.1
83.04936	1.0
85.76095	0.8
86.45670	1.0
91.05478	1.6
93.07018	1.9
95.04939	1.2
103.04846	1.3
103.05478	18.9
105.07013	1.5
107.04967	1.4
107.08588	1.9
117.07021	1.8
119.08571	5.5
121.06523	1.1
121.10152	1.2
123.08148	1.1
131.04922	100.0
131.08563	1.5
133.10132	2.3
135.08063	2.0
137.09583	4.0
143.08546	2.0
145.10126	1.6
147.08034	1.8
155.08601	1.6
157.10141	1.9
159.11653	2.1
169.10094	1.3
171.11668	4.0
175.11139	1.1
181.10190	1.5
183.11676	1.8
195.11639	1.5
197.13324	1.6
199.11237	1.6
207.11748	4.5
209.13225	1.4
211.11169	1.7
214.89105	1.0
225.12671	1.7
233.09669	0.9
239.10698	1.2
241.97118	1.0
249.12643	0.9
249.16321	4.1
253.15701	1.3
262.13663	2.0
267.17444	6.5
270.38455	1.4
277.15918	10.1
289.18069	1.0
295.16919	17.3
313.18103	8.7
336.22189	1.0
337.17795	3.9
353.70874	1.2
355.18701	6.9
399.10999	1.0
443.21939	9.1
467.89294	1.0
503.24182	4.2
545.25214	3.8
605.27496	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	742.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45439	1.1
53.75923	0.9
57.07067	1.1
79.05502	2.0
81.07059	2.2
83.04976	1.1
86.72348	1.2
88.46813	1.1
90.97049	1.0
91.05473	1.6
93.07046	1.6
95.04945	1.9
97.06526	1.7
100.55729	1.2
103.05463	31.9
105.07010	5.1
107.08558	2.6
109.10170	1.9
119.08561	2.6
121.06451	1.4
129.06972	1.6
131.04916	100.0
131.08562	2.4
133.06425	2.6
133.10135	1.7
135.08009	1.9
143.08604	2.7
145.10095	2.0
149.09567	1.5
155.08560	5.9
157.10129	2.7
159.08076	2.4
162.33878	1.3
167.08516	1.2
169.10126	8.9
170.38112	1.3
171.11658	2.4
173.09558	2.9
179.08565	2.0
181.10127	6.0
183.11665	2.9
192.15114	1.2
193.10129	4.7
195.11703	6.8
197.09624	6.2
199.11192	2.8
207.11656	6.4
209.09727	1.6
209.13254	1.8
211.11148	5.3
211.14789	1.6
220.12407	4.3
220.46078	1.5
221.13293	2.1
223.11166	2.7
223.14780	3.0
225.12706	1.9
227.14159	1.8
234.14066	5.9
235.11221	1.8
237.16396	2.6
241.15732	1.4
244.12416	1.4
247.14874	1.6
249.16397	8.5
250.13680	1.3
251.14314	1.5
253.15891	2.4
259.14874	2.2
262.13431	1.5
265.15836	4.8
267.17493	6.1
273.59665	1.1
277.15811	13.4
283.16925	5.4
295.16891	18.5
313.17953	7.9
337.17993	5.2
343.19382	1.4
355.19089	8.9
373.20084	2.1
387.72897	1.3
389.34567	1.3
415.21414	2.1
445.22122	1.6
539.57941	1.6
601.52069	1.8
605.27148	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	742.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04181	4.2
56.27825	4.1
58.02493	4.2
64.97028	4.3
69.07056	4.9
84.78501	4.5
103.05461	11.3
105.07021	24.2
106.41604	4.7
107.04963	23.5
117.07002	5.1
117.76093	4.5
118.83372	4.7
131.04921	100.0
131.08540	5.5
131.24602	4.5
133.10098	5.9
145.10049	5.7
155.08516	6.2
167.08580	9.0
169.10141	10.7
173.09520	8.3
181.10117	8.0
184.07306	9.1
193.10112	9.6
194.11772	6.3
195.11876	7.8
203.08458	4.5
204.09372	10.4
207.11710	26.0
209.13272	25.7
211.11179	20.5
219.11722	41.2
222.10432	23.1
225.12695	6.4
227.89729	4.8
235.11055	5.3
237.12790	81.7
244.12480	9.6
249.16397	30.1
253.47745	5.2
255.13834	8.1
259.14905	20.2
262.13373	7.7
267.17328	7.1
277.15833	61.1
279.13821	10.9
285.18790	5.3
295.16919	38.1
297.14816	22.4
337.18011	25.6
339.15939	7.1
355.19019	11.0
371.91138	5.1
373.19940	5.9
397.20020	20.2
415.21051	20.5
427.20068	5.6
457.22198	19.8
487.21228	5.3
507.65320	5.5
724.45709	7.5
742.41748	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.2
61.02925	2.6
67.05484	3.7
69.03439	25.5
69.07059	3.6
77.02766	2.3
79.05483	11.1
81.03418	40.9
81.07062	23.5
85.02908	52.7
87.47103	1.9
91.05473	17.8
93.07038	56.1
95.04974	20.8
95.08595	29.0
97.02890	26.8
99.04449	9.7
101.06032	3.1
105.07029	20.2
107.08578	45.2
109.02882	92.5
109.06506	4.9
109.10162	14.8
117.07012	10.3
119.04967	4.0
119.08565	48.4
121.10138	21.4
123.11679	9.0
127.03918	58.3
131.08565	12.8
133.06476	9.6
133.10126	92.6
135.08052	74.4
135.11690	11.1
139.03896	5.4
139.81886	2.3
143.08569	9.4
145.04939	14.9
145.06473	10.3
145.10126	48.0
147.11664	17.7
155.08524	3.6
157.10085	18.9
159.08130	3.3
159.11700	18.8
161.09602	100.0
161.13214	3.5
163.11166	24.5
167.08556	3.7
169.04880	6.9
169.10117	9.6
170.54419	2.3
171.11630	18.9
173.13254	15.1
175.11118	3.1
177.12817	2.4
181.10115	15.2
183.11658	13.1
185.13220	8.6
187.06061	9.7
189.12758	5.1
194.10948	3.3
195.11665	19.0
197.13280	9.1
199.11194	3.1
199.14851	4.0
201.12723	5.4
205.07056	79.7
205.08856	4.0
208.12569	4.1
209.13322	31.0
215.14198	3.3
221.13472	2.6
223.14790	22.4
227.14343	8.3
235.14745	2.4
237.16408	3.0
241.15842	5.5
250.17136	3.3
255.20950	2.9
265.19464	59.1
283.20560	89.4
301.21780	4.2
325.21567	36.0
343.22650	91.2
385.23709	3.9
461.28845	36.0
486.74670	2.4
503.29889	29.7
557.40533	2.4
667.09033	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16466	2.4
54.71576	2.4
55.05500	6.9
57.03440	6.2
67.05504	45.1
69.07051	14.7
71.04963	3.3
79.05497	33.3
81.07052	60.7
83.04964	3.8
83.08605	13.4
83.87634	3.1
85.06562	4.1
91.05463	27.4
92.17892	3.3
93.07044	63.7
95.08573	29.9
97.06531	5.6
105.07006	27.7
107.08598	40.7
109.10151	6.8
111.08112	5.8
117.06994	18.0
118.21071	3.6
119.08567	40.9
121.10136	26.6
131.08562	21.8
133.10133	39.3
135.11685	12.6
143.08577	4.7
145.10139	15.5
147.11649	34.8
149.13249	34.3
157.10147	7.0
159.11642	29.4
161.13234	18.9
171.11682	12.1
173.13231	12.4
175.14882	4.0
185.13284	6.1
213.16376	3.6
232.19849	3.2
241.19461	14.4
259.20566	57.8
267.16049	4.5
269.17450	38.7
287.62180	3.0
333.24231	26.6
509.36121	5.2
517.38843	3.7
527.29608	6.4
527.37238	100.0
545.38361	72.4
742.46667	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	743.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67334	0.5
51.94270	0.6
56.89432	0.5
60.16994	0.5
61.02912	0.6
65.28133	0.6
69.03421	2.5
73.02906	0.7
78.91404	0.6
85.02906	3.7
97.02918	0.7
127.03918	0.8
128.92815	0.7
135.04410	19.3
167.03323	1.2
283.06229	0.9
293.22629	0.6
311.09018	0.7
415.11746	3.5
431.07523	1.1
449.09088	1.1
539.12744	0.9
549.11591	7.9
566.11871	1.0
581.14417	100.0
743.19617	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	743.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.3
57.03387	0.5
60.15105	0.2
61.02890	0.4
61.81243	0.3
69.03358	2.6
81.03371	0.8
85.02911	3.5
87.04383	0.3
97.02792	1.2
97.03352	0.3
109.02818	0.5
124.07448	0.2
125.13120	0.3
135.04414	15.3
167.03394	1.8
188.57468	0.3
283.05777	0.6
308.68643	0.3
311.09085	0.3
415.11752	2.2
431.07553	1.2
449.08569	2.4
539.12982	0.5
542.04565	0.4
549.11780	5.6
565.11255	1.6
566.11731	2.0
581.14410	100.0
605.14465	1.1
623.15802	2.5
743.19647	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53540	0.3
53.55178	0.4
55.59833	0.3
55.67797	0.4
77.24738	0.4
92.18451	0.6
97.02854	1.5
101.91364	0.4
121.72463	0.4
123.04421	3.3
127.03943	0.4
132.95811	2.5
136.95343	0.5
137.05901	0.5
140.96317	0.4
144.95842	1.6
147.04410	0.9
156.95850	0.4
158.97385	8.8
165.09192	0.4
168.95758	0.5
170.97365	1.9
176.96272	0.6
176.98434	3.0
186.96797	2.7
188.98422	0.8
194.97403	9.8
198.96870	6.2
208.99017	0.9
212.98439	4.1
214.96207	0.5
216.97896	10.8
221.02612	0.6
223.00534	0.7
234.98776	36.7
236.98505	3.7
237.02083	12.3
238.99939	0.6
239.03593	0.6
248.98409	1.9
250.99977	0.8
253.01678	9.2
255.03099	33.0
259.97684	0.5
263.00043	1.0
267.03290	0.6
272.98416	6.4
275.03583	0.7
279.03122	5.7
291.03137	2.9
297.04156	2.5
303.02948	0.7
305.04605	0.9
309.04285	0.8
315.03189	5.6
318.01932	0.8
326.00800	5.8
333.04138	4.1
339.01605	5.6
381.06259	0.9
384.05035	1.6
399.07330	100.0
440.10110	0.6
556.56732	0.5
561.12592	1.6
743.21863	4.4
761.30029	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	743.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11734	0.6
54.35487	0.5
62.09620	0.5
64.92348	0.6
67.05482	0.7
67.16252	0.5
88.54858	0.7
91.05478	0.7
95.04958	3.0
103.05473	31.1
105.03397	10.0
105.04511	0.7
107.29269	0.7
108.19288	0.6
131.04926	100.0
132.05261	1.5
143.08508	0.6
157.10147	0.7
162.04713	0.7
205.10046	0.6
207.11731	1.5
211.11021	0.9
223.11232	1.1
225.12755	0.8
235.11171	0.8
241.01532	0.6
249.79582	0.6
253.12294	3.4
265.15805	2.7
275.14218	0.9
289.37128	0.8
292.40295	0.7
293.15314	4.1
311.16446	0.9
355.97653	0.7
371.74667	0.7
405.61975	0.6
415.18851	1.3
504.24881	1.2
515.66461	0.7
648.77325	0.8
773.31006	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	743.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71798	0.5
55.05531	0.8
57.03439	1.5
59.74899	0.7
61.02947	5.3
67.05507	4.4
69.03430	3.9
69.07096	0.8
72.43358	0.7
73.02925	5.4
79.05494	5.0
81.03436	1.3
81.07066	5.8
85.02921	6.7
91.03981	6.5
91.05490	1.7
93.07051	6.1
95.04975	0.9
95.08607	4.3
97.02887	4.2
99.04459	1.0
101.02407	1.4
105.07053	3.3
107.08604	2.8
117.07019	0.9
121.10129	1.3
127.03923	3.2
133.10107	0.9
147.11673	1.7
161.13290	1.1
166.51663	0.7
171.11716	1.2
185.04158	0.7
242.34821	0.8
243.08363	3.3
247.13283	2.6
256.59702	0.7
325.23029	0.8
335.25983	0.8
465.20786	6.6
470.02826	0.8
519.29419	5.6
555.15112	0.7
743.43433	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	743.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
61.02918	4.9
67.05505	5.4
69.03419	1.8
73.02898	4.4
79.05496	6.5
81.03403	1.2
81.07039	1.8
83.08640	1.1
85.02900	5.1
91.03954	4.4
91.05482	1.5
93.07037	4.8
95.08583	4.6
97.02898	4.9
107.08598	1.4
116.47031	0.9
119.08579	1.2
121.10126	1.3
127.03900	1.8
129.06996	1.8
147.11752	1.5
168.28645	1.1
168.30273	1.1
168.34030	0.9
171.11833	1.1
243.08412	2.0
465.20978	8.7
519.29480	5.2
743.43341	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	743.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	9.9
63.33124	5.0
67.05497	28.6
68.17297	4.7
69.07059	7.3
73.02918	9.0
79.05483	12.0
81.03443	5.7
81.07052	24.2
83.08624	7.8
85.02880	9.7
91.03956	8.5
91.05463	5.5
93.07040	25.1
95.08604	27.4
97.02897	11.9
104.04850	5.8
105.07088	8.6
109.05771	5.4
110.45781	5.0
117.76273	5.1
119.08588	7.3
121.10112	21.3
128.15712	5.6
133.10112	13.2
143.08580	10.2
157.10075	7.6
159.11690	12.6
169.10112	9.2
171.11621	5.3
173.26546	5.4
185.13301	6.8
199.14795	6.7
211.55582	5.4
219.31195	5.5
221.13208	6.3
225.16179	6.5
239.14618	5.9
367.09131	6.0
389.21274	5.4
421.94824	6.9
546.38464	8.8
563.41077	10.1
581.41895	100.0
743.47406	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53362	1.9
54.62554	2.1
60.84886	2.1
66.98917	2.1
67.05518	2.7
69.03428	2.6
69.07060	2.4
79.05484	16.3
81.07034	3.0
83.04962	2.5
83.63445	2.2
91.05479	42.8
93.07009	2.9
95.04927	2.5
95.08598	5.2
103.05460	13.6
105.07020	16.1
106.06533	29.5
107.04955	73.4
107.08589	9.6
109.06488	2.6
109.10144	2.9
111.08220	2.3
119.04933	4.3
119.08543	11.7
121.06509	5.4
123.08038	2.9
131.04927	92.9
131.08574	13.8
133.10138	11.6
134.09673	18.0
135.08116	5.0
141.07018	3.4
143.08540	17.3
145.10114	11.7
147.08009	11.6
149.05945	18.4
153.09068	3.5
155.08543	6.0
156.84814	2.4
157.10124	10.6
159.08047	10.4
159.11568	8.4
159.81522	2.8
161.09581	5.3
164.77168	2.6
166.08650	4.1
167.08493	3.2
168.09277	2.9
169.10068	18.0
171.07954	3.6
171.11690	5.0
173.09607	3.0
175.79915	2.5
179.08591	5.0
180.09261	4.3
181.10107	11.9
183.11670	12.4
185.09648	2.4
185.13222	4.4
193.10150	11.4
194.11836	55.9
195.11734	21.9
196.12518	4.4
197.09824	2.9
197.13272	11.2
199.11148	3.8
205.10094	3.0
206.10867	5.1
207.11714	11.8
209.09564	2.8
209.13240	14.7
210.11258	44.9
211.11345	3.3
211.14833	18.9
213.12852	3.7
219.11633	5.8
220.12474	3.3
221.13301	11.8
223.11137	6.0
223.14737	4.1
225.12724	3.3
231.11598	5.4
232.12451	3.6
235.14897	9.4
237.12762	11.7
237.16400	4.3
238.34735	2.4
241.12114	3.4
246.14059	10.8
249.12910	3.2
249.16252	3.3
251.14311	2.9
251.17978	10.7
253.12148	3.5
255.14024	2.4
261.16351	18.2
271.12967	3.3
279.17395	25.0
295.16959	3.7
297.18570	5.6
311.16309	5.7
339.19556	5.6
357.20575	3.8
431.20490	5.0
442.13184	2.5
511.36063	2.6
516.90845	2.8
574.12347	2.6
577.30243	2.8
624.31451	3.6
684.33777	53.3
705.49811	3.1
744.35791	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	744.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53362	1.9
54.62554	2.1
60.84886	2.1
66.98917	2.1
67.05518	2.7
69.03428	2.6
69.07060	2.4
79.05484	16.3
81.07034	3.0
83.04962	2.5
83.63445	2.2
91.05479	42.8
93.07009	2.9
95.04927	2.5
95.08598	5.2
103.05460	13.6
105.07020	16.1
106.06533	29.5
107.04955	73.4
107.08589	9.6
109.06488	2.6
109.10144	2.9
111.08220	2.3
119.04933	4.3
119.08543	11.7
121.06509	5.4
123.08038	2.9
131.04927	92.9
131.08574	13.8
133.10138	11.6
134.09673	18.0
135.08116	5.0
141.07018	3.4
143.08540	17.3
145.10114	11.7
147.08009	11.6
149.05945	18.4
153.09068	3.5
155.08543	6.0
156.84814	2.4
157.10124	10.6
159.08047	10.4
159.11568	8.4
159.81522	2.8
161.09581	5.3
164.77168	2.6
166.08650	4.1
167.08493	3.2
168.09277	2.9
169.10068	18.0
171.07954	3.6
171.11690	5.0
173.09607	3.0
175.79915	2.5
179.08591	5.0
180.09261	4.3
181.10107	11.9
183.11670	12.4
185.09648	2.4
185.13222	4.4
193.10150	11.4
194.11836	55.9
195.11734	21.9
196.12518	4.4
197.09824	2.9
197.13272	11.2
199.11148	3.8
205.10094	3.0
206.10867	5.1
207.11714	11.8
209.09564	2.8
209.13240	14.7
210.11258	44.9
211.11345	3.3
211.14833	18.9
213.12852	3.7
219.11633	5.8
220.12474	3.3
221.13301	11.8
223.11137	6.0
223.14737	4.1
225.12724	3.3
231.11598	5.4
232.12451	3.6
235.14897	9.4
237.12762	11.7
237.16400	4.3
238.34735	2.4
241.12114	3.4
246.14059	10.8
249.12910	3.2
249.16252	3.3
251.14311	2.9
251.17978	10.7
253.12148	3.5
255.14024	2.4
261.16351	18.2
271.12967	3.3
279.17395	25.0
295.16959	3.7
297.18570	5.6
311.16309	5.7
339.19556	5.6
357.20575	3.8
431.20490	5.0
442.13184	2.5
511.36063	2.6
516.90845	2.8
574.12347	2.6
577.30243	2.8
624.31451	3.6
684.33777	53.3
705.49811	3.1
744.35791	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	744.359
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11412	1.2
70.70943	1.0
79.05505	1.3
91.05478	96.0
103.05475	1.9
107.04926	2.8
117.25830	1.2
119.04940	21.9
134.09648	62.4
143.08505	1.8
145.06487	1.5
147.04387	4.4
152.90395	1.1
157.10187	1.1
165.06970	2.5
167.08528	8.1
169.10098	1.6
172.95055	1.2
179.08534	11.6
180.09315	6.6
181.10086	7.1
183.11659	2.2
192.09218	1.5
193.10132	5.5
194.10686	8.8
195.08173	1.6
195.11682	2.9
204.09377	2.9
206.10974	2.9
207.11615	2.2
208.12453	1.5
209.09877	1.4
209.13271	24.4
210.11240	100.0
211.11200	2.8
216.06094	1.2
219.11684	10.1
221.13252	8.1
222.10393	6.4
234.14020	1.3
235.11108	1.2
237.12730	22.7
244.12370	1.4
252.12273	4.7
253.12332	4.1
267.17651	1.4
277.15820	1.8
279.13995	1.5
295.16940	1.7
297.14941	5.9
478.25644	1.7
488.24371	6.3
502.81784	1.3
506.25412	6.3
548.26416	26.6
566.27472	53.7
568.79901	1.3
608.28210	2.7
626.28662	1.9
744.35913	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54529	1.3
59.58685	1.1
66.64334	1.3
91.05478	69.1
93.07049	1.7
95.08604	2.0
103.05471	12.6
105.07025	9.2
106.06552	16.5
107.04959	4.5
107.08568	2.4
109.06538	1.4
109.10149	2.2
117.07019	1.4
119.04921	13.0
119.08573	8.7
121.10131	3.1
123.08004	1.8
126.51558	1.5
129.07082	2.0
131.04919	42.5
131.08598	2.5
133.06519	1.3
133.10143	2.7
134.09633	12.0
135.08067	2.4
143.08531	2.1
145.06479	1.9
145.10109	5.3
146.06029	1.3
147.08025	6.2
148.07558	1.5
155.08627	1.9
157.10130	3.1
159.08020	5.8
159.11731	1.4
160.91351	1.3
161.09616	1.6
163.11243	1.7
165.07008	1.8
167.08592	2.0
169.10117	5.9
171.11661	2.9
173.13167	1.6
175.11116	1.4
179.08479	1.3
181.10106	1.9
183.11710	3.0
185.09653	1.5
193.10229	2.1
195.11702	6.7
197.13153	1.7
200.03172	1.3
206.10854	1.6
207.11719	2.4
209.13261	8.2
210.11235	100.0
211.11189	1.6
211.14781	2.6
219.11688	3.1
221.13255	1.4
223.14729	1.3
224.96088	1.3
231.11662	2.7
234.14041	1.4
236.15565	1.4
237.12718	8.6
246.14108	9.0
249.16174	1.6
249.74289	1.3
251.17909	3.2
252.12299	8.1
261.16388	8.7
269.19049	2.0
277.15982	1.8
279.17416	10.9
295.16919	2.6
297.18622	3.1
321.18555	1.4
339.19666	2.3
400.51236	1.5
487.25043	1.9
505.26016	1.7
520.65454	1.4
547.26788	2.2
564.44635	1.4
624.31763	3.1
684.34003	19.4
744.35754	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19112	1.1
73.17631	1.0
79.05484	1.9
91.05473	60.5
93.07035	1.8
95.04964	1.6
95.08615	1.7
103.05452	9.7
105.07013	5.5
106.06535	8.9
107.04996	4.2
107.08576	2.5
107.72511	1.0
109.10136	1.6
117.06982	2.1
119.04931	10.2
119.08566	5.4
121.10186	1.1
129.07024	1.1
131.04907	26.2
131.08528	4.8
133.06487	1.4
133.10065	2.0
134.09647	16.5
135.08009	1.2
143.08533	2.2
145.06447	4.1
145.10124	2.2
148.07538	1.8
149.05980	1.4
149.09607	1.5
155.08530	1.4
157.10107	2.1
159.11763	1.3
169.10077	2.1
171.11736	1.2
175.11159	1.5
181.10133	4.2
183.11664	1.5
193.10092	4.3
195.11710	4.9
197.13321	1.6
209.13226	5.6
210.11229	100.0
219.11636	2.1
221.13205	2.4
222.10358	1.7
227.14279	1.7
231.11697	2.0
237.12752	9.3
246.14038	1.7
249.16394	2.4
252.12273	7.4
261.16364	5.8
279.17480	5.7
295.16830	1.8
297.14941	1.4
297.18536	2.4
313.17767	1.4
314.36478	1.0
358.75739	1.0
501.68393	1.1
514.06927	1.1
547.26617	1.7
549.65637	1.3
564.29309	1.9
624.31396	2.2
684.33575	12.0
744.35693	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	744.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26420	0.5
79.05498	3.2
91.05480	67.5
103.05470	3.1
105.07027	4.5
107.04960	18.6
107.05543	0.6
107.08592	2.5
109.06541	0.7
119.04935	20.0
119.08546	2.8
120.08112	1.6
121.06512	0.8
121.10130	1.5
125.05963	0.6
131.04900	0.7
131.08566	2.9
133.06458	3.1
133.10080	0.9
134.09653	21.6
135.08037	1.0
143.08578	0.9
145.06516	0.7
145.10136	1.1
147.04387	12.5
147.08052	1.1
149.05972	5.2
149.09653	0.8
149.34177	0.7
155.08551	1.1
157.10153	1.3
159.08089	1.4
161.09605	1.3
163.07576	0.9
164.10724	0.8
167.08607	1.0
169.10143	0.8
171.11833	0.6
173.09645	0.9
175.07454	0.9
180.10229	12.7
181.10110	1.2
183.11705	2.5
185.09663	0.8
187.07707	0.7
193.10133	1.6
195.11687	1.6
197.09596	0.8
197.13354	0.9
206.10901	1.3
207.11678	2.6
208.12215	0.6
209.09758	0.8
209.13155	2.2
210.11252	100.0
211.11133	1.4
213.08990	0.6
213.12796	1.0
219.11641	0.9
221.13243	0.8
222.10611	0.7
223.11159	1.5
225.16417	0.9
235.11147	0.9
237.12762	1.1
245.30847	0.7
247.11131	0.8
249.16307	1.3
251.14258	0.9
252.12315	13.3
253.12477	1.1
253.15698	0.8
255.13670	0.8
259.70813	0.7
267.17432	1.5
277.15976	1.4
295.13599	1.3
295.16907	4.3
313.17938	3.3
319.16690	0.7
325.14005	0.7
355.19125	1.5
415.21155	2.6
475.23401	3.4
673.42590	0.7
684.34033	11.7
744.33173	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89814	1.1
76.10583	1.2
79.05506	1.8
91.05478	100.0
94.85861	1.5
101.77833	1.2
103.05446	1.5
108.24583	1.3
119.04934	28.9
119.08543	1.4
125.70800	1.2
132.08122	1.5
134.09650	86.9
140.99915	1.2
147.04422	7.6
165.05637	1.5
165.06969	7.9
166.07759	1.9
167.08517	10.1
169.10123	5.9
178.07687	2.3
179.08537	16.2
180.09264	10.1
181.10123	13.9
191.08536	2.0
192.09279	5.0
193.10110	7.7
194.10876	17.4
195.08141	1.6
195.11723	3.1
203.08455	2.0
204.09351	10.5
206.10912	6.2
207.11665	5.8
208.12563	2.1
209.13240	39.1
210.11246	90.8
211.11224	10.0
219.11659	14.0
221.13327	8.4
222.10379	6.9
225.12810	2.8
227.14243	1.5
235.11261	2.2
237.12686	28.8
239.14185	1.4
253.12125	1.6
279.13678	1.9
297.14886	5.9
478.25992	6.2
488.24194	5.9
506.25314	16.8
548.26392	30.5
566.27460	88.8
608.28851	2.6
626.30200	1.7
643.11694	1.6
744.34570	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	745.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70612	6.5
59.41983	5.8
61.02905	8.7
67.05505	46.4
74.48380	6.5
76.98864	7.4
79.05484	41.0
80.18008	6.9
81.07049	58.2
90.54749	7.3
91.05479	37.1
93.07019	75.1
95.08599	53.3
98.62514	8.4
105.07017	18.2
107.08602	16.0
109.10133	11.9
119.08580	46.1
121.10169	33.5
131.08568	13.2
133.10127	30.8
135.11685	18.1
143.08443	8.2
145.10123	33.7
147.11676	30.4
157.10199	9.9
159.11716	14.9
161.13179	8.4
169.54712	7.6
171.11687	14.5
259.20465	10.0
307.22723	14.6
468.43210	9.0
474.32135	10.2
557.71661	8.1
583.43420	100.0
745.47687	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	746.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
67.05491	1.5
69.09769	0.7
79.05487	1.1
91.05477	100.0
92.17838	1.4
93.07030	1.5
95.04974	3.7
103.05472	3.3
105.03392	33.9
105.07012	8.5
107.04949	1.4
115.05424	1.1
117.07016	1.6
119.04930	21.5
119.08563	2.0
121.06489	1.5
129.06989	0.9
131.08542	3.5
133.06480	1.9
133.48267	0.9
134.09647	63.0
135.08031	6.2
143.08569	4.9
145.06470	1.7
145.10118	5.2
146.95714	0.9
155.08548	14.4
157.10152	3.4
158.07224	1.0
161.09622	1.7
163.33191	0.7
164.10715	5.3
165.06918	10.2
166.07761	3.1
167.08563	16.1
169.10103	11.6
171.08049	0.9
178.07777	4.5
179.08524	21.0
180.09346	11.4
181.10092	17.5
183.11716	4.0
191.08528	1.6
192.09311	11.1
193.10115	14.9
194.10881	25.9
195.08020	1.8
195.11668	14.1
196.08867	0.9
197.13239	3.2
201.69492	0.8
204.09273	8.3
205.10126	1.6
206.10904	5.0
207.11691	14.2
208.09683	1.3
208.12439	1.4
209.09637	1.4
209.13237	43.5
210.11246	99.0
211.11246	3.5
211.14769	1.0
217.10190	0.9
219.11671	19.2
220.12424	1.3
221.09593	1.3
221.13248	6.6
222.10387	9.3
225.12721	1.3
234.14040	1.6
235.11218	1.6
237.12724	24.3
239.14337	1.4
249.16306	6.1
253.12210	1.0
255.13741	1.1
259.14914	0.9
267.17477	1.2
277.15802	3.2
295.16937	5.0
297.14862	6.0
314.13879	4.7
446.23196	10.1
488.24265	1.7
501.64343	0.9
506.25351	46.0
546.28601	1.3
628.28979	48.4
668.31824	4.8
686.32922	5.4
688.31384	1.3
746.35260	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	746.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75473	1.7
59.26761	2.3
77.46294	1.8
82.60390	2.0
93.07044	4.8
97.19946	1.9
103.05461	21.9
105.07065	3.8
109.06537	2.9
119.08527	15.1
125.91396	1.9
131.04936	100.0
135.08037	3.1
143.08592	12.8
145.10165	2.8
147.08090	3.8
155.08495	4.0
157.10117	8.6
161.09621	4.3
169.10083	10.2
171.11646	6.9
178.07890	2.5
179.08582	13.4
181.10214	4.3
183.11707	2.8
187.11023	2.9
191.08522	2.9
192.09444	4.5
193.10110	18.2
195.11737	13.1
197.09686	2.7
199.11214	2.2
205.10104	2.5
206.10951	33.4
209.09741	2.6
209.13148	7.4
211.11188	3.2
211.14813	8.6
220.12433	2.0
221.13258	68.5
223.11266	4.1
223.14935	2.7
235.14848	2.5
237.12697	4.4
237.16455	4.1
239.14272	40.9
251.17787	3.8
261.16385	3.3
279.17395	49.6
281.15433	8.1
284.02127	2.1
297.18564	13.5
299.16391	3.2
321.18549	4.1
339.19336	16.7
341.17520	8.5
399.21548	17.8
429.20624	8.1
447.21600	8.2
487.24796	14.2
547.26971	9.2
609.87787	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	747.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78500	2.4
67.96485	2.8
77.44746	2.6
80.04736	2.8
92.18520	6.8
103.05445	13.4
105.07014	6.4
117.06980	4.0
119.08575	12.2
119.34106	3.4
126.73919	2.9
131.04927	88.7
131.08554	3.5
132.54593	3.0
143.08524	6.0
145.68442	2.7
148.09010	2.8
155.08551	4.5
159.08011	4.6
159.11717	3.1
169.10120	6.5
171.11606	3.1
173.09618	3.3
181.10109	7.0
183.11578	5.2
192.09390	4.8
193.10129	12.4
195.11668	5.3
197.13220	7.3
199.11209	4.1
204.09312	3.4
205.10031	3.7
206.10713	3.6
207.11667	6.9
208.78554	3.2
209.13202	3.4
222.10316	3.5
229.10100	4.2
231.11615	4.1
232.47063	2.7
233.13170	4.7
234.14198	3.5
237.47392	3.0
244.12677	5.3
259.14832	4.5
259.62479	3.4
277.15839	13.8
295.16882	12.6
317.14877	5.8
359.16278	12.6
377.17389	5.9
419.18188	14.1
465.20132	4.8
507.21011	7.3
525.22406	17.7
567.23474	44.0
585.24646	41.1
627.25671	78.7
645.26581	6.1
687.27844	100.0
747.29572	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05515	2.1
89.38298	1.6
91.05466	3.5
95.04976	2.1
103.05466	11.1
104.20673	1.9
105.07055	2.5
117.69851	1.7
119.08571	7.5
121.06458	2.2
121.10110	1.9
131.04922	55.1
131.08551	2.1
133.10104	2.7
143.08577	9.4
145.10101	2.8
149.25970	1.6
155.50053	1.7
157.10071	2.1
159.08000	2.0
165.95285	1.8
169.10069	5.8
171.11656	2.9
182.10944	3.9
183.11708	6.7
187.11151	2.5
192.09334	1.8
193.10155	4.0
194.10931	2.0
197.13280	10.5
206.11104	2.5
207.11693	3.8
209.13158	2.4
211.11240	2.1
219.11702	3.0
225.12617	2.7
234.13972	6.4
235.11108	2.9
244.12540	3.5
249.16292	2.7
259.14810	1.8
262.13712	1.9
276.95459	1.6
277.15836	7.7
295.16946	3.5
343.60263	1.6
359.16074	3.8
377.17157	3.9
413.28680	1.7
461.02924	1.7
465.20416	3.5
507.21353	13.4
525.22443	33.5
567.23541	39.0
585.24615	12.8
627.25592	100.0
687.27740	34.7
747.29669	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	747.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16012	2.3
52.24747	2.4
53.57915	2.3
53.80264	2.3
60.26449	2.3
65.38416	2.8
66.89640	3.3
73.08881	2.3
95.68269	3.2
105.07033	6.5
119.08548	4.5
131.04059	2.8
131.04904	25.9
157.10016	3.0
171.11584	5.2
181.92485	3.3
182.10994	3.1
197.13248	6.1
199.37662	3.0
220.12448	2.9
244.12743	3.1
249.16333	4.1
277.15927	3.4
359.16370	5.1
375.29367	3.2
419.18344	5.3
515.67432	3.5
525.22400	30.5
564.79535	3.1
567.23468	25.0
585.24738	12.2
627.25641	100.0
687.27856	37.5
747.29565	12.8
747.40997	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	747.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48116	0.6
66.44289	0.6
67.05473	0.9
75.05042	0.6
79.05499	0.9
81.07082	0.8
85.02863	1.3
91.05476	1.4
93.07042	3.2
95.04951	0.9
95.08578	1.1
95.19076	0.6
102.02805	0.7
105.07050	1.5
107.08595	2.8
109.10177	0.6
117.06982	2.5
119.08569	3.8
121.10176	1.1
127.03911	0.9
131.08545	1.3
133.10123	8.5
135.08125	1.0
141.05225	20.5
145.10115	4.9
147.11739	2.6
157.10129	2.5
159.11687	0.9
168.33351	0.7
171.11717	1.0
183.11670	0.8
185.04176	9.6
197.13222	1.0
203.05247	12.6
209.13240	1.6
223.14902	1.4
249.52974	0.6
265.19678	1.0
300.01657	0.6
303.10477	83.6
303.53207	0.6
365.20490	0.8
567.29071	5.3
685.83704	0.7
687.33905	2.5
747.35602	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58888	0.7
59.47639	0.8
61.02918	3.2
61.75343	0.6
64.54857	0.8
67.05502	4.0
69.03429	1.4
69.07095	0.8
73.02917	4.0
73.72510	0.7
75.09724	0.7
79.05478	3.1
81.03409	1.5
81.07052	5.7
81.81566	0.7
85.02907	4.8
91.03954	4.1
91.05507	1.3
93.07034	7.6
95.08623	1.6
97.02885	4.2
101.02389	1.5
105.07050	1.3
107.08627	1.7
109.10136	1.5
119.08556	3.2
121.10130	1.7
127.03866	1.5
133.10168	2.9
135.11705	1.4
147.11661	1.3
149.13264	3.8
154.90504	0.8
159.11621	1.2
163.11086	0.7
185.04257	1.5
235.13087	2.0
243.08479	5.1
301.08771	1.4
345.05847	1.0
443.18921	1.1
453.20898	17.0
525.23114	3.4
535.28760	8.0
747.42847	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	748.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02974	1.2
70.20008	1.1
74.83865	1.1
83.45332	1.2
87.18980	1.4
98.98371	1.6
107.04942	2.9
122.03637	2.1
131.04984	2.1
137.05980	100.0
151.07538	2.5
163.07510	2.0
174.06821	1.3
175.07529	15.6
180.10194	5.3
187.07535	8.2
189.09074	2.9
233.08096	9.2
237.09103	1.4
271.09695	3.1
277.08472	2.9
291.10034	5.2
305.08047	1.6
307.09680	2.2
309.11310	1.6
323.12662	1.5
367.11768	2.9
388.10141	1.6
463.17514	2.1
481.17435	1.4
543.20190	13.7
571.19666	11.3
589.20557	26.6
695.24762	18.1
713.25372	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	748.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07073	4.0
91.05470	13.7
95.04989	10.9
96.03320	3.7
97.06524	14.7
98.17926	3.4
99.85927	3.3
105.03399	6.5
105.07030	32.5
107.04969	6.6
107.08602	5.2
109.06510	34.7
111.08086	5.2
113.06004	18.1
119.04930	5.6
119.08549	6.4
121.06484	7.9
123.04427	6.6
123.08085	15.7
125.05995	50.7
131.04962	4.2
131.08540	6.1
133.06485	22.8
135.08057	5.1
137.06024	7.8
139.07539	5.7
143.08569	16.5
145.06444	3.8
145.10086	5.9
147.08026	6.1
151.07542	5.3
155.08606	13.6
156.09323	3.7
157.10097	9.1
159.08023	15.8
161.09636	19.4
167.08542	6.1
169.10132	8.8
171.08008	7.7
175.07498	37.3
179.08598	3.8
180.09239	3.7
181.08661	12.3
181.10156	17.1
183.08018	5.9
183.11667	6.9
185.09564	6.7
193.10124	15.0
195.11746	16.6
197.08054	8.5
197.09624	6.1
199.11194	5.6
206.10913	8.0
207.11678	28.6
209.09584	5.0
209.13329	8.6
211.11208	8.8
211.14795	7.2
213.12775	4.8
219.11775	3.8
221.13263	38.2
223.11147	26.7
224.11928	5.5
225.12709	19.0
227.10701	4.6
234.10429	8.0
235.11331	7.3
235.14886	14.0
237.12741	5.6
239.14217	16.0
241.12219	6.7
245.13274	17.7
248.11816	4.5
249.12756	17.7
252.11546	4.0
261.12714	4.6
262.98938	3.5
263.14310	25.2
263.51019	4.7
265.12103	5.4
267.13712	27.4
279.13806	7.7
281.15305	35.9
285.14734	19.0
291.13675	27.1
309.14801	100.0
327.15869	68.7
345.17105	8.4
351.16080	4.9
369.16974	80.2
387.18060	39.6
429.19061	49.1
447.20398	5.7
489.21338	71.8
489.28134	6.4
507.21979	7.1
549.23370	45.0
748.31561	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	748.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51896	2.3
78.92709	2.6
79.05472	4.9
91.05463	34.8
92.57389	2.5
93.07050	6.3
93.37762	2.9
95.04967	14.2
95.08605	4.7
97.25941	2.5
105.02690	2.6
105.03396	73.3
105.04475	3.1
105.07033	17.8
107.04959	14.2
107.08569	6.2
109.06536	10.6
109.10178	4.5
117.06958	3.9
119.04992	3.9
119.08579	15.9
120.08110	3.0
121.06514	6.0
121.10139	5.9
123.08071	9.4
131.04887	3.9
131.08563	5.7
133.10100	11.2
134.09650	27.8
135.08040	4.0
137.05977	100.0
143.08585	10.2
145.06511	4.4
145.10130	11.1
147.08040	3.8
148.11250	5.7
149.06064	4.2
151.07593	9.8
155.08612	4.3
157.06548	3.6
157.10146	13.2
159.08041	5.6
159.11694	3.0
163.07578	6.2
163.11137	4.0
169.10165	4.1
171.11702	4.5
173.09624	3.3
175.07556	10.7
181.10187	11.2
183.11658	12.1
185.09682	5.9
187.07610	5.5
187.11229	3.0
193.10103	4.9
195.11670	19.1
196.09688	34.0
197.09457	2.7
197.13300	3.3
199.11166	3.6
207.11772	2.7
209.13275	5.8
211.11188	4.9
213.12721	3.3
219.11813	2.5
220.12428	3.0
222.10426	2.8
225.12894	3.1
227.14363	3.3
237.16338	4.3
241.08508	5.6
247.14928	4.1
253.08597	2.8
265.08368	3.2
265.15924	11.5
269.47302	3.0
271.09644	23.1
274.10406	3.4
277.08600	4.7
279.10239	4.2
283.16989	12.0
291.10303	4.0
293.15411	3.2
309.11197	4.6
311.16364	39.7
321.71463	3.3
329.17435	10.5
371.18655	3.8
475.17615	3.4
505.20575	4.1
553.24182	13.8
577.20886	3.9
589.20667	3.6
655.25677	20.5
667.25037	12.0
688.30676	10.4
695.24805	13.2
713.26019	31.4
731.26355	14.0
748.32166	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	748.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57550	1.4
53.03942	2.8
53.68939	1.3
79.05491	10.8
81.07049	2.0
83.04969	1.6
91.05479	3.6
93.07029	6.9
94.00414	1.4
95.04945	14.4
95.08607	2.4
105.03392	88.4
105.07059	17.9
105.73632	1.4
107.04955	89.3
107.05692	3.1
107.08562	5.3
109.06494	2.8
119.08544	8.4
120.08093	7.1
120.53509	1.6
121.06470	8.4
121.10137	3.0
123.08025	3.4
131.08539	3.0
133.06467	12.4
133.10144	7.3
135.08008	3.1
137.09550	1.7
143.08495	3.5
145.10115	3.5
147.08017	3.6
149.05965	22.5
149.09605	6.1
151.07549	2.3
154.34824	1.6
155.08463	1.8
157.10121	2.7
159.08032	5.9
159.11627	2.0
161.09630	3.2
167.08459	1.8
169.10130	6.8
170.10977	1.5
171.08044	1.6
173.09578	2.6
179.08548	2.9
180.10197	100.0
181.10056	2.8
183.11626	5.7
185.09624	2.5
193.10214	2.5
194.11847	1.8
195.08112	2.0
195.11667	3.5
197.09608	2.0
206.10909	3.3
207.11641	2.4
209.13174	7.4
210.10411	1.7
211.11185	3.7
211.14671	1.6
213.12741	2.3
215.10716	1.5
220.12418	5.2
221.13271	5.6
222.10287	1.7
223.11133	8.7
223.14737	1.8
224.11911	3.3
225.09001	1.7
225.12904	1.9
235.14789	5.9
237.12770	6.8
239.14316	3.2
249.12653	2.3
263.14291	6.1
265.12469	1.6
267.13852	1.9
269.15231	2.4
281.15314	5.9
291.13837	2.3
309.14847	10.2
318.06821	1.7
327.15701	11.7
387.17938	2.5
388.37570	1.5
393.50235	1.6
509.21622	35.0
569.23419	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	748.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82344	0.6
67.14752	0.6
79.05479	8.1
91.05451	0.8
91.17077	0.8
92.17834	1.2
95.04974	1.0
105.03386	5.3
105.07026	4.4
107.04951	80.6
115.21102	0.7
117.07056	1.0
119.08591	1.2
132.08505	0.8
134.09656	12.3
135.08130	0.8
149.05974	16.9
155.08473	1.0
167.08496	1.2
169.10092	1.0
173.85504	0.8
179.08542	1.6
180.09407	1.0
181.10133	1.5
183.11691	1.7
193.10083	1.5
194.11775	100.0
195.11578	1.3
196.08751	1.0
207.11661	2.8
209.13293	4.6
211.11198	1.3
211.14783	1.0
219.11633	1.6
236.12761	4.4
237.12744	5.8
239.14375	0.8
244.12521	4.8
255.13696	1.1
267.17392	1.0
277.15817	1.0
295.16861	1.4
297.14984	1.4
313.17871	0.7
326.48108	0.7
430.23819	1.7
472.24722	2.8
490.25949	19.6
612.29382	5.4
748.36816	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	748.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59714	0.6
63.43535	0.6
77.03917	0.7
79.05494	6.7
92.18568	0.7
105.03381	5.2
105.07035	4.7
106.30052	0.7
107.04955	78.2
112.98324	0.7
119.08575	1.2
133.06487	0.8
134.09659	12.9
143.08467	0.8
145.65453	0.7
149.05981	17.4
150.35799	0.7
155.08545	2.7
157.10039	0.7
167.08482	1.0
169.10063	0.7
179.08548	1.1
180.09326	0.9
181.10085	1.2
183.11708	1.3
193.10037	1.5
194.11774	100.0
195.11703	2.8
204.09302	0.8
207.11696	0.9
209.13176	4.9
211.11186	3.0
219.11816	3.2
221.13237	0.9
236.12802	5.3
237.12772	4.4
239.14165	0.7
243.10825	0.7
244.12440	3.9
251.14346	1.0
255.13763	0.8
260.68008	0.7
267.17468	1.1
295.16901	1.6
298.50543	0.7
386.47488	0.7
472.24796	1.3
478.28369	0.9
490.25888	19.7
612.29266	4.8
695.61725	0.7
748.36871	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61105	1.3
60.63151	1.4
79.05511	1.8
81.92851	1.6
84.89291	1.6
91.05479	100.0
93.07057	1.7
95.00788	1.5
105.03400	9.0
105.07018	2.0
107.04982	3.0
107.08586	1.9
119.04926	15.6
119.08561	2.8
123.12990	1.3
130.45816	1.6
131.08537	2.7
134.09648	39.5
134.35728	1.3
137.05997	2.4
143.08574	2.3
155.08553	2.3
169.10149	6.4
174.59692	1.6
179.08548	6.9
183.11623	5.6
185.13159	3.1
191.08719	1.4
193.10126	2.6
194.11812	3.7
195.11656	6.0
206.10910	8.2
207.11760	2.4
208.09612	1.9
208.12511	1.7
210.11240	77.3
211.14827	3.6
221.13272	17.4
223.14874	1.8
239.14226	3.3
242.83847	1.4
279.17538	6.0
285.50848	1.5
297.18524	2.9
490.25952	14.5
550.20367	2.1
550.28003	31.7
570.97626	2.1
672.31891	13.1
748.36792	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	748.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
78.26765	0.4
79.05482	3.2
83.33121	0.4
91.05467	1.7
92.05799	0.5
103.13360	0.4
103.14950	0.4
105.03376	2.2
107.04954	66.2
133.89206	0.4
134.09651	3.1
135.09996	0.4
149.05974	13.6
165.07025	2.4
167.08585	3.2
179.08580	2.0
180.09216	3.3
181.10129	2.3
194.11777	100.0
195.11685	16.8
197.09412	0.5
209.13235	10.4
210.11363	0.7
219.11751	0.8
222.10510	0.7
237.12749	2.1
255.13829	1.8
315.15915	1.8
318.87863	0.4
324.76984	0.4
370.75888	0.5
559.02142	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	748.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82969	0.5
59.30503	0.5
68.67219	0.4
79.05499	5.9
88.47256	0.5
90.83105	0.4
91.05486	2.0
95.04951	1.1
105.03392	6.7
105.07014	2.0
107.04952	76.1
109.06483	0.6
131.04910	0.5
131.08505	0.6
133.06439	0.8
134.09642	4.9
139.94330	0.5
142.36826	0.5
149.05972	14.8
155.08502	0.5
167.08542	2.1
169.10068	0.9
179.08586	3.1
180.10335	0.7
181.10106	3.1
183.11726	0.8
185.09627	0.6
193.10143	1.9
194.11775	100.0
195.11717	2.0
204.09402	0.6
207.11653	1.2
209.13264	5.6
211.11351	0.7
219.11717	0.8
222.10391	2.6
236.12791	7.6
237.12706	5.4
244.12494	0.5
255.13722	0.7
297.14850	1.8
355.18985	0.7
398.00079	0.6
748.36768	19.7
762.79401	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	748.369
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71562	0.8
70.68624	0.7
72.04533	1.0
74.75249	0.8
79.05499	7.7
79.05883	0.7
99.36354	0.8
105.03402	9.9
105.06992	1.1
107.04953	88.0
108.49612	0.8
118.40671	0.8
119.08575	0.9
134.09645	9.7
149.05986	19.6
150.09059	0.8
155.08522	1.2
179.08536	1.6
181.10220	1.5
183.11690	5.5
193.10071	1.2
194.11774	100.0
206.10712	0.7
207.11664	2.0
209.13295	5.8
211.11223	1.5
219.11601	1.0
235.14830	1.0
236.12733	6.3
237.12712	3.3
239.86134	0.8
244.12466	3.2
249.16434	1.0
267.17380	1.2
304.27948	0.8
344.19894	1.1
443.89163	0.9
490.25339	1.7
612.29187	5.6
672.29968	0.8
748.36737	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41488	0.7
69.19905	0.8
71.06599	0.6
78.54410	0.8
79.05502	6.9
81.07050	0.8
105.03407	7.5
107.04955	79.4
115.51467	1.0
134.09630	8.6
149.05972	16.6
167.08562	1.2
183.08051	0.9
183.11678	1.8
193.10272	0.9
194.11768	100.0
195.11681	1.1
209.13228	4.3
211.11249	0.8
221.13330	1.1
222.10446	1.1
223.36153	0.7
236.12822	5.6
237.12692	1.6
244.12402	1.0
255.13699	0.7
267.17261	1.2
277.16083	0.9
295.16943	1.2
430.23627	0.8
612.29443	3.2
748.36884	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	748.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90842	0.6
63.01652	0.7
63.89150	0.8
65.86382	0.7
79.05492	0.9
91.05482	100.0
92.05832	1.1
93.07021	1.7
95.05022	0.8
95.08598	0.8
100.19247	0.7
103.05466	1.4
105.03403	7.2
105.07053	3.4
107.04949	11.4
117.07005	0.8
119.04124	1.0
119.04946	19.9
119.08616	1.3
121.06509	0.7
129.07034	1.6
131.08560	3.6
134.09656	32.7
135.88463	0.9
143.08586	3.2
147.04399	2.9
147.08029	0.9
149.05927	1.3
153.07057	1.0
155.08578	3.5
157.10168	3.9
165.05533	0.9
167.08559	2.8
169.10124	4.8
171.11804	1.1
179.08525	5.8
180.09122	1.0
181.10132	3.7
183.11722	4.7
185.13237	5.7
191.08583	1.1
192.09375	3.4
193.10097	4.1
194.11772	9.2
195.11688	6.2
197.09685	1.0
197.13254	3.1
206.10942	9.4
207.11720	1.2
209.09647	0.8
209.13292	3.2
209.33160	0.7
210.11253	85.4
211.11389	1.5
211.14856	5.8
213.12740	3.4
221.13261	17.4
223.11188	0.8
223.14844	0.9
237.12524	0.9
239.14281	6.5
251.17987	0.9
269.19025	1.3
279.17404	3.0
297.18362	5.4
299.16266	1.5
490.26031	9.7
508.26538	2.7
550.28015	28.3
603.74603	0.8
630.29584	3.1
672.31824	11.8
748.36761	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	748.476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80188	1.0
55.05503	1.9
57.07067	6.9
59.85381	1.2
67.05514	4.5
68.22523	1.2
69.07052	5.2
70.80598	1.2
71.08623	6.8
81.07073	10.2
83.08617	2.4
85.10162	5.3
93.07041	2.1
95.08587	9.9
99.24527	1.3
101.34444	1.2
101.98862	1.2
109.06519	2.6
109.10149	3.0
111.04432	18.8
119.08574	1.8
121.10081	2.2
123.11711	2.5
125.05987	6.4
133.10109	1.6
135.11691	5.9
137.05977	100.0
137.09633	1.5
137.13213	1.8
137.14192	1.7
147.08047	1.5
147.11703	4.7
149.09587	3.2
149.13229	1.4
151.07558	2.2
161.09636	9.6
161.13254	1.3
163.11163	3.0
165.09157	3.1
166.76648	1.4
170.31389	1.8
175.11160	8.0
182.01247	1.6
192.39282	1.3
203.17981	10.5
213.16417	2.8
221.18910	1.8
231.17412	12.1
239.38750	1.5
249.18471	5.4
261.87280	1.3
277.17984	20.1
282.27905	2.5
313.27380	7.1
320.22208	3.2
351.21753	2.7
540.27454	1.3
589.44666	41.3
607.45679	33.6
730.46509	18.6
748.47662	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74969	1.7
60.37915	2.1
67.05515	2.0
69.03428	2.3
77.03947	2.9
78.17108	2.3
78.59300	2.1
79.05481	5.4
81.07059	3.9
84.67010	2.2
91.05477	75.0
93.07033	11.8
95.04963	13.8
103.05451	3.8
105.03397	100.0
105.07054	16.2
107.04960	44.4
107.08535	4.2
108.05274	15.2
119.04951	12.0
119.08571	5.3
121.06490	11.4
121.10117	3.0
123.08070	4.2
131.08578	2.9
133.06471	5.4
133.10138	9.7
136.63194	2.1
139.41241	2.0
145.10098	4.8
147.08058	4.2
149.05981	16.1
149.09612	2.7
155.08556	4.0
157.10042	3.9
161.09612	3.4
165.06937	2.3
169.10089	5.3
171.11708	4.4
173.09607	3.0
177.09247	2.8
179.08549	5.1
181.10152	4.2
182.08133	42.3
183.11783	3.1
192.09338	2.4
193.10130	4.7
194.11818	52.3
195.11978	38.3
196.12242	12.3
197.09607	4.5
206.10855	8.8
209.09599	2.8
209.13286	11.9
211.11185	2.8
220.12480	9.6
221.13361	2.2
223.11214	4.2
225.12712	3.1
233.09734	2.6
235.14793	2.9
237.12685	4.2
239.10941	2.4
239.14348	5.4
248.11887	2.7
249.12743	3.3
251.10556	3.0
263.14337	3.0
281.15219	2.5
309.14868	10.0
327.15714	15.8
509.21600	30.8
517.57837	2.7
643.39349	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	750.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
64.29742	1.3
65.03962	1.5
65.76706	1.2
67.05524	1.3
69.03419	2.2
70.80479	1.3
79.05482	3.2
79.45055	1.3
79.72475	1.7
81.07040	1.4
81.71740	1.3
91.05475	77.3
93.07040	10.1
95.04974	12.6
95.08585	5.8
105.03388	100.0
105.04520	5.9
105.07024	21.9
107.08587	7.0
109.06517	3.2
117.07026	5.8
119.04922	10.3
119.08572	6.7
121.06502	13.4
121.10130	9.1
123.04424	1.5
123.08031	5.7
129.06966	2.0
131.08517	5.4
133.06500	15.3
133.10130	9.9
135.08052	5.6
137.06006	1.9
143.08554	5.4
147.08041	6.6
147.77458	1.7
149.05983	3.4
149.09618	8.9
151.07573	1.6
155.08566	2.1
157.10150	3.4
159.07977	5.0
161.09608	7.8
165.05550	1.8
167.07040	1.5
167.08476	1.5
169.10104	9.6
171.08022	2.7
171.11612	3.0
171.79987	1.5
173.09613	6.3
175.07590	3.4
180.09355	2.0
181.10156	5.6
182.08136	48.4
182.10701	1.6
183.11665	6.8
185.09651	1.7
187.11255	1.9
189.09103	1.6
192.09319	1.4
193.10132	7.5
194.10913	3.0
195.11696	5.7
197.09778	2.5
197.13283	3.3
199.11154	3.5
205.09772	1.6
206.10939	8.9
207.11711	2.3
209.09677	2.7
209.13266	8.2
211.11195	3.5
211.14648	1.7
213.12683	2.0
220.12531	3.6
221.13272	7.9
222.10442	1.8
223.11115	5.3
223.14774	1.8
224.11934	2.2
225.09143	2.4
225.12732	6.7
225.16245	2.4
227.14374	2.8
230.10788	2.1
235.14848	5.1
236.12041	2.0
237.12744	7.1
239.14313	6.3
241.12251	3.0
248.11888	3.2
249.12732	2.1
251.10663	2.1
251.14386	1.9
253.15918	2.8
257.11740	1.8
263.14395	7.5
265.12418	2.0
267.13821	6.4
281.15421	10.0
285.14844	2.3
291.13757	5.5
299.16226	3.2
309.14685	12.1
327.15823	17.5
345.16672	3.0
346.13828	1.5
359.25870	1.5
387.17819	5.6
441.57898	1.7
509.14420	2.4
509.21664	46.6
553.08282	1.7
569.23779	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	750.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83300	2.5
70.52886	2.9
79.05486	6.6
81.07047	2.8
91.04971	5.1
91.05477	69.0
93.07034	12.6
95.04939	17.7
101.27664	2.8
105.03391	100.0
105.04486	4.0
105.07030	19.6
107.04951	60.8
107.08595	3.8
119.04924	11.5
119.08550	6.9
120.08097	4.2
121.06502	6.0
121.10139	5.9
123.08079	3.4
133.06491	12.1
133.10120	17.0
135.07999	3.2
137.05995	9.5
145.10048	3.7
147.08087	4.7
149.05960	14.9
149.09624	12.3
155.08586	3.2
157.10100	6.1
159.08102	4.8
161.09642	6.5
169.10161	5.2
180.10202	52.8
182.08171	31.5
182.10881	3.3
183.11763	3.1
195.11649	11.6
197.09698	3.3
203.07265	3.2
206.10840	4.6
207.11606	5.4
211.11082	5.1
211.14853	3.4
221.13162	3.2
223.11162	4.0
235.14854	6.8
237.12769	4.5
239.14288	5.6
253.12317	3.3
263.14322	6.3
267.13623	4.0
281.15405	6.2
299.16144	4.4
309.14828	14.3
327.15909	15.2
345.16898	5.1
369.16989	4.1
387.18176	4.6
509.21640	40.4
571.26709	4.5
750.34393	10.4
769.65778	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	750.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
67.05512	1.5
69.03412	2.5
70.34978	1.3
72.72285	1.5
79.05481	2.9
81.07030	2.8
83.04965	1.8
85.70461	1.4
91.04902	3.2
91.05479	84.2
93.07029	11.0
95.04960	15.6
95.08608	2.6
103.05470	2.1
105.03394	100.0
105.04494	4.8
105.07033	17.8
107.08593	7.2
109.06501	3.7
109.10116	1.5
119.04955	12.2
119.08592	9.7
121.05738	1.4
121.06486	11.6
121.10136	6.7
123.08058	9.1
131.08545	2.6
132.37787	1.5
133.06487	9.6
133.10124	9.3
135.08058	2.5
141.06940	1.9
143.08597	6.3
145.06496	2.2
145.10132	3.0
147.04456	1.8
147.08086	6.4
149.06026	7.4
149.09610	8.2
151.07523	2.6
155.08525	2.8
157.06441	1.5
157.10118	3.0
159.08092	6.9
159.11664	2.7
159.46295	1.6
161.05861	2.1
161.09581	7.6
167.07153	1.6
167.08565	2.4
169.10124	9.7
171.08038	2.9
173.09659	5.4
175.07616	2.4
177.09052	2.2
179.08539	2.5
180.09306	1.9
181.10146	3.0
182.08118	52.9
182.10728	2.2
183.11697	7.2
185.09674	2.7
192.11270	1.6
193.10170	2.8
194.10915	3.5
195.11708	11.5
196.12558	2.2
197.09663	3.6
197.13351	2.0
198.10158	1.8
199.11261	2.6
206.10941	10.2
207.11713	3.4
208.12503	1.9
209.09630	3.7
209.13257	6.8
211.11128	3.7
211.14845	3.4
211.49649	1.8
220.12531	6.3
221.13295	3.0
222.10429	6.1
223.11134	5.9
224.12013	1.8
225.12715	2.2
235.14783	7.4
237.12703	7.5
238.13504	1.7
239.10643	2.2
239.14377	7.0
248.11903	3.7
249.12833	2.1
253.15862	3.2
255.13785	2.1
263.14243	7.7
267.13870	2.3
269.11694	1.7
281.15396	7.5
297.14798	1.9
299.16504	2.8
309.14859	9.3
327.16031	13.3
345.16925	2.6
387.17902	2.4
449.19565	1.6
509.21701	37.2
569.24103	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	750.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39597	2.8
67.79832	3.5
70.84593	3.5
92.17812	6.5
93.07044	4.7
93.31602	3.5
95.04973	6.5
104.65127	4.2
105.03397	66.1
105.07030	16.3
107.08614	4.0
111.37033	3.6
119.92948	3.3
121.06489	7.3
123.08109	4.4
124.54508	3.6
125.85245	3.4
129.06969	4.1
131.86401	4.3
133.06488	14.7
133.10184	6.6
133.43549	3.6
141.07089	3.6
143.08565	8.2
147.08003	6.0
150.20239	3.1
155.08530	6.5
157.10156	13.4
159.08081	15.3
161.09602	6.1
164.62247	3.4
166.07829	3.8
169.10149	7.2
171.08054	7.5
173.09680	4.2
179.08496	4.3
181.10126	16.6
182.10957	3.9
183.08049	8.6
183.11655	22.0
185.09697	5.9
189.09085	3.9
192.09314	16.9
193.10127	5.4
195.11749	17.6
197.09558	7.5
197.13277	30.9
199.11235	17.8
206.10994	4.6
207.11685	74.4
208.89069	3.6
209.09636	18.2
209.13283	4.9
210.10420	17.6
211.11168	67.4
217.10118	8.2
220.08888	16.9
221.13324	5.1
223.11221	25.3
223.14812	13.7
225.12714	77.4
232.12306	4.1
233.13246	5.2
235.11183	68.0
237.16267	4.8
239.14380	8.6
241.12201	4.5
245.34241	4.1
247.14859	14.5
249.12679	4.5
251.10834	6.2
251.14278	5.8
253.12241	100.0
260.11932	8.5
265.15793	38.8
267.13785	8.2
269.15283	4.1
271.13336	17.7
275.14276	36.6
293.15390	45.8
295.13223	44.6
304.98492	3.7
311.16406	26.4
313.14362	39.4
335.16562	4.6
353.17487	21.3
355.15320	17.0
371.18631	14.5
373.16483	7.5
389.19034	4.1
391.17520	59.3
413.19656	14.3
415.17471	19.0
431.20697	31.6
433.18457	40.7
449.21921	5.0
473.21729	15.5
491.22424	7.8
613.26514	5.3
655.27185	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	750.333
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07049	3.2
95.04966	4.5
102.63555	2.7
105.03415	19.6
105.07046	3.7
112.10854	2.9
119.08562	3.8
121.06499	4.8
128.23003	2.4
133.06517	10.4
133.10138	3.4
143.08533	3.4
145.06509	4.1
145.10152	4.2
149.05975	10.8
157.10120	4.8
159.08063	3.5
161.09644	6.6
181.10068	5.7
183.08018	4.1
185.09712	3.0
192.09338	13.1
193.10175	9.7
195.11694	26.7
197.09583	12.7
197.13232	11.1
199.11139	3.9
205.10043	3.7
207.11714	22.2
208.08832	4.1
209.09607	5.3
209.13269	4.5
211.11153	22.1
213.12625	4.2
220.08818	20.4
223.11140	53.1
225.12735	31.4
232.12453	4.4
235.11157	49.2
237.12694	3.9
237.16394	4.5
241.12218	23.7
247.14673	4.6
248.93410	3.0
251.10803	5.5
251.14247	12.1
253.12209	100.0
263.14310	12.2
265.12213	23.0
265.15848	12.9
271.13287	11.3
275.14233	18.0
277.12283	3.7
278.12921	3.2
281.15445	4.2
283.13226	10.5
283.16788	4.2
293.15350	35.9
295.13251	31.0
311.16489	16.7
313.14230	37.7
325.14365	5.5
329.17639	3.0
335.16370	6.1
343.15234	3.5
353.17505	20.8
355.15244	19.6
373.16428	30.3
395.18768	3.3
413.19623	12.7
415.17462	14.1
431.20703	23.0
433.18350	3.6
473.21637	5.0
491.22632	10.7
655.27441	4.9
702.71759	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	751.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45741	5.1
100.17661	4.7
123.04430	23.9
136.70799	4.5
139.03922	36.4
152.43866	4.2
163.03850	4.8
267.02942	7.5
285.04117	5.9
297.03891	5.6
299.05521	8.3
309.03845	7.5
311.05383	4.5
323.01944	6.4
325.03418	22.8
327.04922	5.8
351.05084	5.4
355.04712	5.7
367.04044	5.2
397.05420	19.3
415.06934	8.2
473.06970	6.9
547.21429	4.7
581.09393	9.5
599.10187	100.0
733.13507	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	751.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
61.41140	0.8
71.47919	0.9
72.37505	0.9
80.13280	1.1
96.37933	1.0
106.68106	0.9
123.04411	30.2
124.03918	6.3
125.04326	1.2
127.03878	2.4
135.04410	1.2
139.03905	26.0
151.03922	1.5
155.74373	1.1
163.03873	4.5
179.03394	5.4
214.96335	1.0
229.04942	1.5
241.04875	1.2
253.04904	1.9
257.04428	5.3
258.05328	1.1
259.05975	1.6
267.02838	5.8
267.06525	1.5
269.04416	8.8
271.05988	4.7
281.04385	7.0
283.02521	1.2
283.05835	3.7
285.03979	12.4
286.09235	4.2
287.05569	1.5
287.09564	1.2
293.04449	4.0
295.06003	5.4
296.03397	1.7
297.03937	10.1
298.04715	1.3
299.05579	8.6
302.15427	1.1
307.02414	1.7
307.05878	2.4
308.03305	1.7
309.03900	6.4
309.07361	1.9
311.05499	7.6
313.03336	2.3
313.06903	1.5
315.05014	1.5
319.06079	1.9
321.04019	1.6
323.01767	8.3
323.05554	5.9
324.02664	1.3
325.03369	17.6
325.06903	1.5
327.04987	7.8
335.05402	8.1
337.03290	5.0
337.07031	1.7
339.04962	9.5
341.06442	4.1
343.04419	6.8
347.05444	2.1
351.04941	5.3
353.06717	4.3
354.03854	1.7
355.04489	8.5
357.07394	1.2
363.04758	3.7
365.02692	2.8
365.06854	1.7
367.04376	5.4
369.05869	5.8
381.06210	2.0
383.03827	4.4
385.05908	1.5
389.06845	1.3
397.05478	13.4
399.04877	1.2
409.05475	4.6
415.06644	19.5
427.06577	2.0
431.06830	1.3
433.05600	1.3
455.06622	1.7
457.05411	3.7
473.07114	17.4
517.06909	1.3
535.08801	4.0
549.10504	1.5
553.09393	2.0
563.07819	2.3
565.09406	1.4
581.09113	16.3
583.10474	13.2
599.10266	100.0
607.10541	1.6
625.11456	5.7
697.11475	1.6
698.95807	1.2
715.12976	10.2
733.13831	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	751.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.14964	1.3
59.16172	1.3
64.46209	1.3
64.80309	1.4
67.05497	3.3
69.03418	1.6
69.07057	1.9
69.18611	1.4
79.05490	6.1
81.07034	6.7
83.04969	1.7
91.05482	10.6
93.07030	17.6
95.04972	20.6
95.08604	3.3
105.03395	100.0
105.04521	7.6
105.07024	18.9
107.04942	2.4
107.08554	12.3
109.06496	6.3
117.07050	2.6
119.04946	6.0
119.08570	10.4
121.06537	12.9
121.10117	7.9
123.04380	2.3
123.08088	8.4
125.20387	1.6
129.06975	2.9
131.08562	6.9
131.71346	1.6
133.06494	35.0
133.10121	28.0
135.08023	6.5
137.09599	3.2
143.08539	3.9
145.06490	2.9
145.10092	3.8
147.07999	5.5
149.05983	10.5
149.09612	10.0
151.07552	9.4
151.11194	2.3
157.10104	2.5
159.08054	8.9
159.11676	2.2
161.09596	9.5
163.07483	2.2
165.06987	2.2
169.10153	3.7
171.08055	7.9
171.11679	3.8
173.09663	6.3
175.07565	3.0
175.11136	1.9
177.05510	3.0
177.09102	6.4
179.08511	2.3
181.10063	2.7
183.11702	8.2
185.09584	3.3
187.07515	2.6
187.11186	2.9
189.09187	1.8
192.09247	1.9
193.10153	2.3
195.06468	2.5
195.08052	2.6
195.11726	6.3
196.08817	2.1
196.12465	1.5
197.09602	5.8
197.13307	6.9
198.10269	2.0
199.11205	3.7
201.12755	2.8
206.10902	2.9
207.11766	3.1
209.09631	3.6
210.10422	1.6
211.11154	7.9
211.14784	6.2
215.10579	2.3
219.11835	1.8
220.12543	8.7
221.09711	2.5
221.13290	3.1
223.11247	3.2
224.12238	2.0
225.09204	2.0
225.12689	5.6
225.16399	1.8
227.10728	3.2
229.12161	1.9
232.12456	1.8
233.09569	1.9
235.14899	3.1
237.12729	3.7
239.10721	3.5
239.14375	9.5
241.12256	2.7
245.13412	2.1
248.11894	6.6
249.12602	2.4
251.10585	2.8
252.11398	1.8
253.15912	8.1
255.13818	2.6
263.14325	8.7
267.13785	3.8
276.11563	1.8
281.15390	19.1
291.13837	7.4
294.12689	1.7
297.14838	2.4
299.16483	10.3
309.14816	22.9
312.18448	2.0
327.15903	34.2
345.16940	16.0
369.16937	7.5
386.69165	1.6
387.17902	16.8
449.19501	3.6
491.21063	2.2
509.21683	17.5
666.01074	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	751.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01890	2.2
58.48067	1.4
60.57898	1.5
60.82805	1.6
61.18929	1.3
65.75343	1.6
67.05504	2.9
69.03439	2.0
71.98674	1.6
77.03910	3.3
79.05493	4.1
81.07069	3.4
83.04964	1.7
91.05498	12.3
93.07049	15.0
95.04962	11.3
95.08589	3.1
105.03394	100.0
105.04486	5.6
105.07026	21.0
107.04957	2.3
107.08569	12.4
109.06499	6.9
109.10165	2.4
111.08024	1.8
117.07049	2.9
119.04948	3.7
119.08570	10.4
121.06492	14.0
121.10123	9.5
123.08057	10.2
129.07037	3.6
131.04922	1.5
131.08484	5.8
133.06494	37.1
133.10115	34.0
135.08032	3.4
137.05992	3.1
137.09578	3.0
143.08560	3.9
145.06494	3.2
145.10046	2.9
147.08028	7.1
149.05984	10.7
149.09633	11.3
151.07469	7.1
151.11162	3.5
155.08519	2.6
156.09366	2.2
157.10138	7.0
159.08049	6.6
159.11595	3.0
161.05951	2.4
161.09628	12.1
163.07480	1.8
165.06993	2.0
167.08510	2.0
169.10147	7.1
169.89330	1.7
171.11667	2.8
173.09604	3.7
175.07538	3.5
177.05495	3.6
177.09152	3.6
179.08487	2.6
181.10078	4.1
183.08076	6.0
183.11653	3.8
185.09641	3.4
187.07420	2.3
187.11180	3.2
189.09135	2.3
193.10121	6.2
194.10953	2.2
195.11687	7.6
196.12457	1.9
197.09654	7.7
197.13197	3.5
199.11192	3.3
205.10147	3.2
206.10895	3.3
207.11729	2.8
209.09579	2.1
209.13272	2.0
211.11148	9.9
211.14798	2.2
213.12708	2.3
215.10760	2.9
216.55951	1.7
220.12486	3.0
221.13274	3.7
222.10405	2.3
223.11287	7.7
224.11966	1.8
225.12762	6.6
227.10780	2.1
235.14809	10.4
237.12779	3.3
237.16187	1.8
239.10612	3.8
239.14235	7.5
241.12178	3.3
245.13338	1.9
248.11928	7.5
249.12744	7.7
253.15901	10.7
255.13748	2.6
263.14389	12.4
265.15811	2.3
267.13577	2.8
271.17090	1.8
276.11230	2.1
279.13806	1.9
281.15323	18.5
291.13803	7.3
299.16422	9.1
309.14804	23.3
327.15869	37.3
345.16840	12.1
369.16904	6.1
387.18018	19.9
405.19150	1.8
449.19366	7.0
509.21759	12.6
511.15897	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	751.309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31143	2.8
79.88328	3.1
91.05468	21.0
92.18575	3.7
93.07044	17.5
103.05457	6.4
105.07037	17.6
119.08561	15.4
129.06998	42.1
131.04926	59.5
133.10127	5.2
141.06985	4.8
143.08589	7.4
145.10083	3.7
147.08089	4.3
155.08545	4.2
161.09566	3.7
167.08583	5.1
169.10112	6.5
171.11610	3.9
178.07710	6.1
179.08517	43.5
180.09317	5.7
181.10098	5.6
191.08563	6.5
192.09383	19.4
193.10126	36.1
195.11746	16.7
206.10916	76.5
209.13199	6.6
219.11639	3.9
221.13249	100.0
237.12697	3.9
237.98248	3.4
239.14272	38.6
246.13997	3.9
251.17903	7.5
261.16162	4.0
279.17368	26.6
297.18591	6.7
391.34839	2.9
421.10992	3.5
451.18802	46.6
465.54608	3.3
509.23022	4.2
511.20908	89.2
527.23962	3.4
569.25061	39.6
629.27191	85.7
633.25208	12.9
691.28040	4.4
751.30750	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93091	0.4
55.94385	0.4
67.05508	0.5
72.19213	0.4
79.05493	0.8
83.04971	0.9
89.12859	0.6
91.05476	68.4
95.04980	0.6
103.05459	2.1
105.03396	3.5
105.07028	0.5
107.08614	0.8
119.04935	12.4
129.07060	0.7
133.06502	0.5
134.09648	17.1
134.10623	0.8
138.58589	0.6
147.40195	0.6
152.76881	0.6
155.08545	1.0
158.97098	0.6
165.05464	0.9
165.06883	0.6
169.10143	0.6
179.08658	0.7
181.10136	0.7
188.43950	0.5
193.10199	2.2
195.11601	0.6
210.11238	100.0
221.09711	0.9
222.10558	0.6
237.12868	0.9
239.10585	0.8
249.87665	0.6
252.12404	1.2
306.58725	0.6
307.13745	0.6
315.15985	0.6
606.11969	0.6
657.34131	0.6
752.32672	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87959	2.5
58.27846	2.8
82.75403	3.2
89.19740	2.4
95.04962	4.5
95.08598	2.9
100.84697	2.6
103.42996	2.4
105.03393	100.0
105.04491	8.7
105.07031	14.3
107.08563	2.8
109.06493	2.5
121.06501	6.4
123.08008	3.3
129.06906	2.8
133.06488	13.7
135.08028	3.3
143.08556	9.5
147.08051	3.4
149.09598	4.0
151.07529	11.6
155.08549	5.8
159.08113	9.5
161.09586	12.5
169.10066	6.4
173.09584	4.0
177.09013	3.1
181.10127	13.4
182.10934	3.2
183.11707	4.5
185.09615	3.1
193.10109	5.7
195.11752	11.3
197.09627	14.7
198.10460	4.0
199.11192	50.3
205.10329	2.6
207.11699	10.3
209.09637	12.9
211.11153	64.4
213.12721	4.0
221.13202	3.1
223.11224	11.9
223.14714	3.2
225.12666	24.8
227.10667	50.9
232.12434	3.6
233.13278	3.2
235.11177	5.7
237.16322	3.2
241.12129	2.8
244.90112	2.7
247.14899	4.3
249.12633	4.3
251.14236	6.1
253.12343	19.9
260.02573	2.5
263.14267	4.8
264.89651	2.8
265.15775	21.2
267.13931	3.6
271.13278	9.3
275.14362	3.4
293.15268	10.3
311.16354	12.2
313.14340	64.9
334.47281	2.6
371.18839	5.8
373.16315	28.9
475.21161	10.0
493.21902	6.2
535.22876	4.0
595.25256	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	752.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
77.03914	1.7
79.05505	0.9
95.04951	9.0
105.03396	100.0
105.04536	4.1
105.07024	6.8
107.08543	1.0
109.06532	1.2
121.06506	1.7
129.06972	0.9
133.06491	3.7
143.08617	1.6
149.05980	0.8
151.07527	4.3
155.08499	1.4
157.09982	0.8
159.08072	1.6
161.09610	1.6
169.10103	1.4
171.07965	1.1
171.11722	1.5
173.09561	1.3
177.09094	0.8
181.10085	4.6
183.11697	1.1
185.09578	1.7
193.10150	3.3
195.11731	4.3
197.09633	5.2
197.13202	1.8
198.10356	1.6
199.11176	13.0
206.10883	1.1
207.11639	3.2
209.09601	3.1
211.11159	16.0
221.13232	1.2
223.11208	4.7
225.12688	9.0
227.10680	12.1
232.12625	1.0
235.11201	1.6
241.12245	1.4
247.14906	1.7
253.12300	7.0
263.14429	1.3
265.15863	4.8
269.11722	0.9
271.13419	1.6
275.14447	1.8
293.15356	7.8
295.13327	0.8
311.16464	3.8
313.14349	20.5
315.12073	0.9
320.09900	1.0
371.18878	1.2
373.16547	7.7
415.18747	3.4
433.19858	1.2
475.21246	1.5
493.21768	1.1
553.24457	1.8
597.24951	4.1
613.89453	0.9
734.08234	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	752.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
83.48656	3.9
95.04981	8.0
101.44393	4.1
102.68034	4.7
105.03394	100.0
105.04494	6.4
108.06732	4.5
121.06538	5.8
131.59238	4.9
148.70303	4.9
149.09659	4.1
161.09674	5.3
181.10066	5.3
183.08200	5.7
197.09698	4.7
199.11191	29.0
207.11859	4.9
211.11160	35.2
217.56870	4.5
221.13171	4.4
223.11237	6.8
225.12720	24.8
227.10661	29.4
253.12294	7.1
265.15881	5.4
293.15152	6.1
313.14224	36.5
353.17313	6.6
371.18423	4.9
373.16425	8.2
436.25668	4.5
535.22784	6.9
754.95935	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	752.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05476	9.3
95.08581	1.2
105.07055	4.0
107.04957	2.5
107.08547	1.1
119.04932	59.0
119.08576	4.0
131.08560	2.1
133.06467	4.1
134.09634	24.2
137.05969	1.5
143.08569	5.5
147.04404	100.0
148.11230	1.1
149.09627	1.4
155.08571	1.2
157.10059	1.1
161.09543	1.6
165.05531	1.2
169.10083	1.5
171.11804	1.3
179.08299	1.0
181.10115	4.7
189.05486	8.1
194.11856	1.6
195.11833	4.5
207.06526	1.4
208.12396	1.3
209.13217	5.2
210.11316	3.8
231.11737	2.1
237.12840	1.3
246.14122	2.5
251.17892	1.5
252.12288	78.0
261.16385	4.0
279.17288	7.8
294.13306	6.6
297.18518	1.2
339.19583	2.0
357.20746	1.7
399.21729	1.7
710.35034	5.3
752.36194	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	752.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04491	1.6
83.60666	1.0
91.05476	9.3
105.07024	2.3
107.04975	3.9
108.05278	1.2
119.04940	63.4
119.08578	4.7
133.06465	4.6
134.09645	25.3
143.08583	1.9
147.04407	100.0
155.08574	1.2
157.09991	1.2
165.05499	2.0
181.10136	2.4
189.05432	9.6
189.12788	1.2
194.11742	1.8
195.11928	5.5
207.06529	4.1
209.09505	1.6
210.11250	1.6
213.17845	1.0
219.11688	1.2
223.14815	1.5
231.11629	1.7
237.12921	1.8
246.14162	1.4
251.18033	1.2
252.12286	81.3
261.16370	4.4
277.00241	1.0
279.17450	9.7
281.17108	1.1
294.13361	5.6
297.18399	2.3
321.18628	1.4
339.19510	1.7
399.22000	1.3
710.35138	5.7
752.35950	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	752.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42377	1.2
65.81806	1.2
72.04519	2.0
79.05485	9.0
81.57317	1.3
83.04983	2.2
88.07638	1.9
91.05457	2.3
92.17760	1.6
93.07031	6.0
105.07018	3.5
107.04958	100.0
113.23135	1.5
127.33812	1.3
129.06969	2.0
131.08551	3.5
133.10167	1.6
134.09666	61.1
143.08511	4.5
145.06474	1.8
147.08057	2.1
149.05978	20.2
155.08519	2.8
157.10147	1.6
159.07947	1.6
169.10149	2.9
179.08560	9.2
181.10159	5.6
183.11696	8.0
191.08565	3.5
192.09329	2.6
193.10165	10.5
194.11787	73.6
195.11682	6.0
205.10060	1.9
206.10893	20.8
208.12334	2.2
211.14824	13.3
221.13245	36.6
223.14798	5.9
239.14322	14.0
279.17322	1.6
299.16580	3.4
299.51395	1.4
341.17383	2.1
371.73996	1.8
474.26517	16.4
492.27094	1.8
534.28479	92.4
551.70776	1.5
582.17529	1.6
587.01447	1.4
634.33807	28.8
692.37573	9.8
752.39740	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	752.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71754	1.0
55.05521	1.6
59.05009	1.6
71.71414	1.0
72.04523	1.1
79.05491	7.6
83.04965	1.3
84.00164	1.2
88.07632	1.6
91.05458	2.4
93.07038	5.2
105.07036	1.5
107.04955	100.0
115.68404	1.1
119.08557	1.9
129.06990	1.5
129.13991	1.1
131.08542	6.2
134.09650	41.4
143.08566	5.4
145.06487	1.4
147.08020	1.8
149.05986	18.9
155.08459	4.1
165.07068	2.0
167.08606	1.6
169.10123	6.7
179.08469	11.0
181.10103	7.7
183.11705	8.7
191.08565	5.2
192.09334	2.9
193.10132	7.6
194.11768	69.4
195.11610	4.5
197.09613	1.4
206.10890	16.3
211.11336	1.5
211.14784	10.7
221.13226	33.6
223.14822	7.7
239.14323	14.0
239.31711	1.2
288.23520	1.6
299.16443	4.6
341.17398	4.4
474.26392	17.3
534.28522	87.2
634.33752	28.0
674.36890	1.8
692.37811	8.7
752.40607	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	752.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	1.3
56.58965	1.0
59.05002	1.5
69.63267	1.1
70.14835	1.0
79.05503	8.7
88.07616	1.6
91.05486	2.4
93.07030	5.0
97.64751	1.1
105.07025	1.7
107.04958	100.0
119.08622	1.3
128.10672	1.5
128.43999	1.2
129.07002	2.4
131.04987	1.5
131.08569	7.5
133.06433	1.1
134.09654	35.7
136.38251	1.3
143.08553	2.4
147.08057	2.3
149.05989	18.5
155.08583	2.7
157.10126	2.5
165.07004	1.3
167.08601	2.2
169.10110	5.7
175.07645	1.2
179.08546	8.2
180.09297	1.8
181.10121	7.5
183.11722	8.8
191.08528	2.2
192.09268	2.7
193.10159	5.1
194.11766	64.4
195.11707	6.6
203.36768	1.0
206.10901	19.4
206.69986	1.3
208.12579	1.2
211.14835	8.6
221.13234	30.7
223.14835	5.4
231.46880	1.2
239.14326	13.6
251.18089	1.7
281.15234	1.3
299.16440	5.5
338.63663	1.3
341.17270	1.5
474.26254	12.5
492.27612	2.2
534.28473	88.1
634.33752	29.5
674.36652	1.6
692.37988	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	752.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
57.29484	0.2
64.56619	0.3
70.34860	0.3
79.05489	0.3
81.06161	0.3
95.04967	1.8
105.07064	0.3
107.04956	8.6
126.29271	0.3
133.06538	0.4
135.08054	100.0
145.06467	0.4
147.08067	0.5
161.09573	1.4
161.39165	0.3
163.26463	0.2
173.08205	0.6
173.09616	12.4
191.10652	2.5
209.11728	62.0
341.17468	0.3
342.13666	0.4
361.57889	0.3
567.29553	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
73.59815	0.4
82.38055	0.4
83.04198	0.4
95.04966	0.7
105.07049	0.4
107.04936	9.3
131.08540	0.5
135.08044	100.0
145.06514	0.6
147.08098	0.7
161.09586	3.9
173.09593	9.9
191.10724	2.8
209.11711	61.8
296.79504	0.4
413.42987	0.4
433.01996	0.5
567.29614	19.2
700.46356	0.5
711.76459	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	754.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.0
56.99399	2.1
59.75843	2.7
65.72559	2.2
74.06079	63.2
77.94364	2.0
79.05498	2.0
81.03407	2.3
81.07056	2.2
91.05473	29.5
93.07037	2.6
95.04958	14.1
101.90466	2.2
102.33485	2.0
105.07050	10.1
107.04951	17.8
107.08591	3.1
109.06497	3.1
119.04936	24.3
119.08565	8.7
129.07043	3.5
131.08522	3.3
132.08072	31.9
133.06425	3.2
133.10117	60.3
134.09702	3.3
135.08029	15.6
143.08549	3.6
145.06493	2.5
145.10030	2.4
147.04385	3.7
147.08009	8.7
150.09128	59.6
155.08403	2.4
157.10088	2.6
159.08099	2.3
159.11632	3.6
161.09587	2.6
171.11739	4.5
173.09711	3.3
178.08620	9.2
181.10126	8.3
183.11786	2.5
185.13211	2.2
187.11272	3.4
191.08875	2.3
192.10197	96.6
193.10153	8.0
194.11752	9.2
195.11537	2.9
199.11214	8.4
201.12761	2.8
207.11676	9.0
209.11549	3.7
210.11967	2.9
213.12755	4.5
219.11646	3.1
220.09669	100.0
221.13277	3.2
225.23206	2.4
229.94731	2.1
233.13249	2.4
234.14063	2.3
235.11122	2.1
238.10692	19.7
249.16373	3.5
262.13611	3.5
267.17401	4.0
277.15811	20.3
280.11606	2.2
295.16891	27.9
313.17807	2.3
337.17981	8.3
355.18976	4.0
514.26050	2.8
534.28265	9.4
551.15833	2.2
574.27747	4.4
651.06281	2.6
676.65637	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	754.36
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87214	0.8
69.07068	0.9
79.05500	0.8
91.05462	10.7
95.04953	4.3
95.08632	0.8
97.43873	0.8
102.42919	0.8
105.07013	1.2
107.08576	1.0
116.22511	0.8
119.04935	64.7
119.08571	1.5
121.10108	1.0
133.06499	1.5
133.10107	1.0
134.09645	19.4
139.05586	1.3
145.10092	1.5
147.04399	100.0
148.04762	3.1
148.11241	1.2
157.10106	1.1
159.11647	0.9
163.05626	1.2
165.05490	3.1
167.08617	1.0
169.60799	0.9
171.11652	0.9
173.09610	0.9
181.10159	1.6
183.11655	1.5
189.05434	6.2
193.10078	1.3
195.11722	1.1
203.08647	1.0
207.06500	1.2
207.11717	1.2
209.13211	1.9
210.11186	3.0
213.07098	1.1
216.58952	0.8
217.10223	1.4
219.11699	3.4
221.13246	1.1
231.11687	1.7
237.12737	0.9
241.10301	0.9
243.11916	3.5
251.17924	1.2
252.12271	85.1
253.12686	3.2
267.11975	1.3
279.17386	3.2
281.13467	1.5
294.13422	1.8
297.18387	3.6
303.14020	3.0
313.19839	1.0
323.18085	15.1
341.19189	19.5
382.20557	1.2
383.20340	9.3
503.24847	1.2
750.96906	0.9
754.35748	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	754.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.05495	0.8
81.07036	1.5
91.05482	11.7
93.06991	0.9
95.04964	4.2
95.08640	0.7
105.07034	1.8
107.08557	0.8
119.04930	59.2
119.08554	1.9
120.05253	1.4
121.10022	0.8
129.06987	0.7
131.08586	1.4
133.06496	1.2
133.10132	0.8
134.09651	14.9
140.96893	0.8
143.08565	1.2
147.04399	100.0
148.04770	1.4
148.10983	0.8
151.64546	0.9
157.10129	1.0
159.11610	0.9
165.05420	3.5
165.07043	0.8
169.10066	1.0
171.11661	1.2
177.07137	1.0
181.10048	2.7
187.11137	1.0
189.05464	7.1
191.08612	0.9
193.10153	0.9
195.11708	3.0
199.11156	1.6
203.08859	1.2
207.06560	2.7
209.13205	3.2
210.11238	3.4
217.10204	1.3
219.11790	0.8
223.11197	0.9
227.08597	1.1
231.11739	1.3
237.12767	0.9
241.10222	1.2
243.11943	2.9
245.13390	1.4
251.17928	1.8
252.12277	78.8
253.12650	3.3
267.11731	1.3
279.17514	3.8
281.13406	1.8
294.13391	1.6
297.18594	1.7
303.13974	3.8
308.15775	1.1
313.19766	1.4
323.18124	13.7
341.19156	18.5
383.20264	11.5
401.21356	0.9
754.35901	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	754.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03714	0.9
61.40763	1.0
72.04484	1.1
75.99391	1.0
82.82845	1.2
91.05485	10.8
92.18449	1.3
92.67472	1.1
95.04972	1.4
107.08563	1.0
108.66240	1.0
109.06520	1.0
111.79101	0.9
119.04941	62.4
119.08516	1.9
133.06442	2.1
134.09647	17.7
143.08565	1.6
147.04402	100.0
148.04765	4.1
148.11148	1.2
157.10173	1.3
159.11664	1.3
165.05461	4.5
167.08612	1.4
169.10214	1.2
173.09573	1.2
173.13239	1.6
177.07156	1.2
179.08661	1.4
179.33548	1.1
181.10208	2.1
183.79822	1.3
189.05487	6.3
195.11745	2.4
201.07109	1.1
207.06508	2.2
209.13275	2.0
210.11298	1.8
217.10211	1.1
219.11797	1.2
227.08742	1.2
228.09549	1.1
231.90274	1.1
243.11813	5.6
251.17918	2.5
252.12286	81.6
253.12538	1.8
266.11398	1.1
279.17401	2.2
294.13492	2.3
303.13962	1.6
313.19769	1.8
323.18188	13.2
341.19177	15.7
383.20285	11.7
470.36859	1.2
754.35938	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	754.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99178	0.8
67.32494	0.9
72.04507	2.0
79.05500	7.7
80.16649	0.8
88.07615	4.5
91.05465	1.6
95.04962	1.0
105.07024	2.0
107.04956	86.8
107.08581	1.3
109.06484	1.4
119.08566	4.0
122.58337	0.8
131.04941	1.1
131.08594	1.4
133.10095	1.9
134.08626	1.5
134.09651	44.4
143.08487	3.7
145.10117	1.1
149.05975	16.6
149.13437	0.9
157.10123	1.5
167.08528	1.5
169.10094	1.1
173.09628	0.9
179.08549	1.2
181.10144	1.5
183.11688	1.5
194.11765	100.0
195.11754	3.7
206.10916	1.6
207.11690	3.3
209.13280	5.0
217.10083	1.0
219.11745	2.1
220.12524	1.6
221.13252	4.6
231.11691	5.8
233.13268	1.1
235.14807	1.0
236.12727	4.0
237.16483	1.2
246.14023	7.1
251.17957	1.8
253.15990	1.0
253.19299	0.9
261.16342	10.2
263.17880	1.1
279.17426	10.0
285.81964	0.9
297.18542	1.9
321.18604	1.7
339.19498	2.0
514.29242	1.2
592.32819	1.2
634.33710	4.3
652.34674	5.0
694.35883	7.7
754.37659	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	754.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54947	0.7
52.92066	0.7
53.36482	0.8
57.26109	0.7
72.04522	2.9
79.05492	7.0
79.05890	0.8
88.07625	3.1
91.05480	1.3
92.18530	1.6
95.08634	0.7
102.01552	0.8
105.07015	1.5
107.04951	83.2
107.08532	1.2
119.08598	3.0
123.08028	0.9
124.40672	0.9
129.06969	0.9
131.08586	1.3
133.10184	1.3
134.08617	1.6
134.09650	42.4
135.07979	1.3
143.08539	1.7
145.10100	1.6
149.05978	13.6
155.08560	1.5
157.10107	1.3
159.08072	1.0
169.10078	1.3
171.11382	0.7
181.10138	1.5
183.11565	1.0
193.10091	1.8
194.11768	100.0
195.11566	2.7
206.10902	1.4
207.11687	3.6
208.12413	1.5
209.13312	4.3
217.10161	0.9
218.10872	1.0
219.11673	2.0
221.13293	3.0
223.11206	1.0
223.14812	0.9
224.14246	0.7
231.11783	4.0
233.13313	1.0
235.14778	1.5
236.12859	1.8
237.12784	1.7
237.16241	1.0
246.13980	8.1
249.16597	1.0
251.17851	4.2
261.16409	9.1
263.17960	3.2
279.17407	9.2
297.18494	3.4
321.18509	1.9
339.19647	3.8
379.97797	0.9
381.20502	1.3
422.45697	0.9
441.23306	0.8
514.29810	1.5
592.32513	3.4
634.33527	3.8
652.34595	4.1
694.36133	6.7
754.37915	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	754.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25676	0.6
63.44259	0.6
67.05480	1.1
67.07717	0.7
72.04520	1.6
73.66496	0.7
79.05492	8.6
88.07634	3.4
93.07031	1.0
105.07018	4.1
107.04954	98.6
107.08579	0.8
119.08572	3.3
121.10146	1.1
131.04889	1.0
131.08548	1.5
133.10147	1.7
134.09656	47.4
135.08076	0.9
142.37350	0.7
143.08559	3.4
145.10126	1.2
149.05966	17.7
155.08588	1.4
157.10138	1.7
159.07999	1.0
161.09618	0.7
167.08597	1.5
169.10133	1.1
171.11668	1.0
181.10078	3.6
183.08157	1.0
183.11676	1.2
193.10193	1.7
194.11771	100.0
195.11732	4.1
204.09306	1.3
205.10106	1.1
206.10858	1.5
207.11700	3.4
208.12521	0.8
209.13254	4.8
219.11653	1.6
220.12326	1.2
221.13266	3.1
231.11688	7.9
233.13039	1.2
235.14606	2.3
235.41393	0.9
236.12901	1.3
236.15445	0.8
237.12677	1.7
237.16400	2.8
246.14011	7.9
249.12679	0.8
251.17892	3.1
261.16287	11.0
263.18005	3.0
279.17404	9.0
297.18484	1.3
321.18530	1.7
339.19635	3.6
399.21796	1.0
592.32855	1.5
592.99591	0.8
634.34052	1.6
652.34424	2.9
694.35541	6.6
754.37744	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	754.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75849	0.6
67.05495	1.1
69.07011	0.7
72.04513	5.1
79.05493	9.4
88.07626	5.0
91.05491	1.1
95.08559	0.8
105.07041	4.0
107.04957	98.0
107.08580	1.4
119.08588	3.6
121.10117	1.0
129.07021	1.1
131.08595	3.4
133.10118	3.1
134.08623	1.6
134.09651	50.5
135.08011	1.0
143.08554	4.0
145.10162	1.7
147.58168	0.9
149.05978	20.9
155.08562	1.8
157.10124	1.9
159.08006	1.4
161.09679	0.7
167.08536	1.1
169.10092	1.2
181.10130	4.8
183.11739	1.9
193.10143	2.9
194.11771	100.0
195.11694	4.8
197.13242	0.9
205.10077	0.9
206.10834	1.5
207.11688	3.2
209.13268	3.7
219.11656	3.6
220.12451	1.5
221.13316	3.4
222.14079	1.1
223.14874	0.9
231.11690	6.3
234.14012	0.8
235.14807	1.3
236.12811	3.0
237.12680	1.1
237.16530	0.9
246.13992	7.8
251.18013	3.1
261.16351	12.7
263.17917	1.4
275.42944	0.8
279.17371	8.9
297.18448	2.7
312.15903	0.8
321.18335	1.2
339.19495	3.3
341.20807	1.0
456.34109	0.8
514.29651	3.1
532.30597	1.0
574.32123	1.4
592.32819	1.0
605.99042	1.0
634.33649	2.7
652.34668	1.9
694.36249	5.9
754.38062	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	754.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73711	1.4
72.04507	2.5
79.05502	9.6
87.38275	1.5
88.07639	2.7
91.05484	2.4
105.07021	2.7
107.04961	90.8
107.08599	1.5
119.08595	4.6
126.51630	1.2
131.04924	1.4
131.08577	1.6
133.10106	2.7
134.09660	66.3
135.08125	1.3
135.10005	8.0
143.08559	3.2
149.05957	15.7
155.08569	2.9
157.10210	1.9
169.10138	1.5
181.10176	2.5
194.11766	100.0
195.11702	5.1
207.11777	4.8
208.12375	2.8
209.13234	2.0
219.11668	2.6
221.13182	2.0
231.11737	5.9
233.02229	1.2
237.12769	2.3
237.16386	2.2
246.14034	9.5
251.18126	2.6
261.16345	12.2
263.18036	1.7
279.17383	9.1
297.18390	3.1
321.18494	3.2
339.19513	2.3
456.81451	1.4
592.31757	6.6
652.34283	1.8
694.35712	5.9
754.37103	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	754.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12741	0.7
72.04525	4.1
79.05495	8.0
88.07647	3.8
105.07037	1.9
107.04956	87.7
107.08600	1.5
109.10191	1.0
119.08620	4.3
121.10155	1.7
131.08578	2.1
133.10149	0.9
134.09647	45.9
143.08594	3.3
145.10144	2.0
149.05962	15.2
156.80931	0.8
157.10020	0.9
169.10155	1.7
171.11700	1.5
181.10170	3.4
183.11662	1.2
193.10152	1.8
194.11768	100.0
195.11749	3.9
205.10190	1.1
206.10980	1.0
207.11804	2.1
209.13280	1.7
211.14940	1.0
218.10945	0.8
219.11775	1.9
221.13292	3.4
231.11787	6.7
235.14818	1.1
236.12772	1.9
237.12752	3.2
237.16321	1.1
246.13963	8.1
249.16420	1.0
251.18022	0.9
261.16354	14.5
263.18066	1.9
279.17352	8.3
281.18854	1.0
282.51480	1.1
297.18570	1.6
321.18619	1.2
339.19577	3.7
399.21899	0.9
436.88156	1.0
514.29352	1.9
574.31433	1.7
592.32446	1.4
628.10889	1.1
634.33826	1.6
652.34723	1.4
694.35883	6.3
739.50049	1.0
754.37787	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	754.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80915	0.6
60.40736	0.7
63.84769	0.7
69.07070	0.9
72.04501	3.2
79.05484	9.1
88.07613	4.4
91.05466	1.5
92.17883	1.5
93.06980	0.9
95.04942	0.9
105.07012	3.7
107.04948	78.0
107.08613	1.0
117.07016	1.0
119.08574	1.6
123.95967	0.7
126.53233	0.8
126.77619	0.7
131.08577	1.4
133.10065	1.6
134.09641	41.2
143.08560	3.1
145.10133	1.1
149.05975	14.2
155.08542	1.0
157.10167	1.2
169.10118	1.3
179.08644	1.0
181.10126	3.4
183.11604	1.1
193.10072	1.3
194.11751	100.0
195.11678	3.6
197.13203	1.0
200.29442	0.7
204.09213	1.0
206.10851	1.3
207.11687	1.7
209.13242	3.3
217.10089	1.8
219.11703	1.7
220.12495	1.2
221.13275	4.0
222.14055	1.3
223.11165	0.8
231.11639	5.6
232.12340	0.7
235.14790	1.8
236.12808	4.4
236.15396	0.7
237.16397	1.5
241.43471	0.9
246.13945	8.5
251.18051	3.0
261.16284	12.7
263.17874	3.8
279.17398	8.8
297.18460	1.6
321.18399	1.6
325.27182	0.9
339.19495	1.6
514.29333	4.1
592.32111	2.9
634.33551	3.7
652.34082	4.4
694.36200	6.8
754.37836	9.2
754.71002	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	754.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56568	0.9
79.05502	8.0
81.07069	2.3
88.29788	1.0
91.05439	1.2
93.07050	1.7
95.04977	1.9
96.70319	0.9
105.03397	20.5
105.07040	3.4
107.04955	100.0
117.06991	0.9
123.11701	1.2
127.56067	0.9
131.08611	1.5
134.09637	12.1
143.08543	2.2
149.05983	18.3
149.51860	1.0
155.08516	1.4
157.10158	1.8
167.08522	1.0
169.10146	4.2
169.68005	1.0
181.10120	1.7
183.11623	7.5
193.10188	1.5
194.11771	57.6
195.11731	1.4
197.13274	1.1
201.55023	1.0
206.10892	4.2
207.11797	1.1
211.14709	7.5
219.11716	1.0
221.13217	14.6
223.14801	1.5
231.21408	1.0
235.14790	1.1
239.14491	1.1
275.31720	1.0
309.22015	10.1
319.20520	9.6
337.21783	2.2
343.38470	1.0
397.23224	1.3
656.32330	2.2
732.19794	1.3
754.39453	64.8
758.48389	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	754.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.3
59.87086	0.9
61.27092	1.1
79.05493	8.6
81.07050	1.8
84.33487	1.1
84.61417	1.1
88.07625	1.6
88.73990	0.9
91.05459	3.8
92.17843	1.9
93.07032	6.3
105.07014	4.1
107.04954	100.0
119.08576	2.2
120.08087	4.7
129.06998	3.9
131.04959	1.3
131.08542	7.3
133.06505	1.4
133.10133	1.3
134.09650	43.3
143.08534	6.0
147.08058	2.0
149.05974	18.0
155.08589	1.8
157.10103	1.8
167.08542	1.8
169.10088	5.0
177.09247	1.2
179.08560	9.8
180.09325	2.1
180.54898	0.9
181.10114	6.6
183.11711	9.2
191.08595	2.1
192.09328	1.9
193.10112	6.8
194.11777	68.2
195.11734	7.3
196.12411	1.3
205.10280	1.0
206.10883	15.3
207.11639	1.3
208.12448	1.6
211.14824	10.4
219.11581	1.8
221.13229	24.5
223.14833	5.5
237.12842	1.2
239.14276	13.5
281.15305	1.3
297.18628	1.4
299.16275	5.9
333.08127	1.2
341.17349	2.0
474.26260	14.2
534.28436	68.5
636.35291	27.5
676.38342	1.5
694.39410	7.9
748.46802	1.2
754.40503	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	754.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	6.2
67.60741	1.2
72.44299	1.4
79.05494	9.3
81.22228	1.6
88.07626	1.6
88.57521	1.5
91.05481	2.4
93.07026	3.5
105.07017	2.8
107.04950	100.0
107.08572	1.8
119.08567	2.1
128.61778	1.4
129.06966	3.3
131.08548	3.4
133.06554	1.4
134.09657	38.3
143.08537	2.3
145.06473	2.1
149.05972	25.1
155.08598	2.7
167.08484	2.6
169.10117	7.3
179.08569	7.5
181.10132	7.6
183.11694	9.1
192.09273	2.9
193.10104	6.4
193.23166	1.4
194.11775	66.2
195.11545	2.2
206.10904	19.0
209.13362	1.5
211.14832	8.2
221.13248	32.9
223.14809	3.5
239.14305	12.4
239.26675	1.5
242.72554	1.7
245.79691	1.6
248.96318	1.7
299.16391	6.4
314.48688	1.6
395.33585	1.4
411.72113	1.4
474.26340	12.2
534.28455	74.7
545.55591	1.4
636.35150	29.3
694.40063	9.9
754.40192	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	754.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94637	4.2
55.05510	8.5
57.03432	4.4
58.89172	3.9
63.47100	4.3
67.05511	37.7
69.07071	10.0
71.67162	4.5
78.11287	4.3
79.05489	63.7
81.07070	45.9
83.08631	7.8
91.05476	46.1
93.07047	64.6
95.04945	9.1
95.08601	30.3
105.07036	64.2
107.08581	24.2
117.07002	11.5
119.08566	43.1
121.10150	19.8
129.07008	20.2
129.60954	5.5
131.08562	29.2
132.24673	4.7
133.10146	50.8
135.11615	6.5
143.08574	19.5
145.10127	21.1
147.11671	60.0
159.11707	20.8
161.09647	4.5
161.13252	24.8
171.11658	28.5
173.13251	8.1
175.14842	8.3
177.12907	4.7
185.13367	7.0
241.19547	5.8
259.20557	45.8
279.16052	6.1
281.17502	40.6
333.24252	9.5
388.90622	5.1
539.37225	100.0
557.38513	46.3
604.57202	5.2
667.40973	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	754.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73322	5.3
55.05507	12.3
67.05492	34.5
68.04382	5.0
69.07058	11.4
79.05494	49.7
81.07062	42.5
83.04969	4.9
83.08614	7.8
83.34199	4.6
84.28744	4.9
86.98508	4.9
91.05482	41.2
93.07034	60.1
95.04946	9.1
95.08617	30.5
97.82607	4.7
105.07029	48.7
107.04949	6.4
107.08581	11.9
109.10166	6.8
117.06982	7.8
119.08582	41.7
121.10138	8.6
128.06812	5.2
129.06964	21.7
131.08572	9.5
133.10139	26.9
135.11647	6.6
145.10057	19.4
147.11690	49.5
157.10118	7.4
159.11688	8.8
161.13246	23.6
171.11681	10.4
185.13333	7.3
207.13766	7.5
213.70741	5.6
241.19336	7.3
259.20593	38.9
279.15988	10.2
281.17642	24.5
333.24182	33.7
399.36261	5.3
539.37384	100.0
557.38312	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30880	1.4
61.35856	1.5
63.89397	1.5
73.62842	1.8
93.07034	1.9
95.04961	10.5
105.03391	100.0
105.04524	6.0
105.07060	1.9
131.08551	3.1
133.06526	1.5
133.10132	2.9
145.10138	3.5
155.08566	2.8
157.10120	2.6
159.08061	2.7
161.09645	3.2
166.07710	2.0
167.08612	2.6
169.10127	6.4
179.08675	2.5
181.10130	12.4
181.71887	1.6
182.10971	2.1
183.11601	2.3
185.09624	2.5
192.09352	8.9
195.08005	3.5
195.11679	12.5
197.09636	3.2
197.13239	3.8
199.11143	2.3
206.10892	2.2
207.11678	10.4
208.08673	2.0
209.09644	7.2
209.13197	1.9
210.10345	1.8
211.11183	6.8
215.21494	1.5
221.13289	1.9
222.13959	2.1
223.11110	2.2
223.14772	2.4
224.65565	1.5
225.12665	12.1
227.10812	1.6
235.11072	7.6
247.14856	2.4
251.14128	1.6
253.12155	31.5
265.15894	8.3
267.13513	1.6
271.13184	3.3
283.16910	6.7
293.15475	11.2
311.16400	19.7
329.17227	1.7
347.84039	2.0
349.04559	2.3
371.18542	2.1
375.15924	2.9
415.19232	3.7
433.20154	2.1
528.88922	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	755.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	5.9
69.03419	20.8
85.02905	54.7
85.06534	7.1
95.08588	35.8
97.02893	5.0
105.06976	6.9
107.08579	6.6
109.10132	28.6
119.08545	12.5
121.10101	8.7
123.08072	10.0
123.11699	66.9
127.03920	8.6
145.10088	5.8
147.11664	38.6
149.09607	65.1
151.07431	16.5
161.13268	19.9
189.12759	67.9
207.13792	100.0
225.14870	18.2
312.17059	5.6
333.17242	5.6
351.17932	49.6
369.19070	71.8
395.25488	5.7
477.61029	5.3
575.31885	10.4
593.33112	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39267	0.8
65.55406	0.7
66.02637	0.7
69.03442	1.1
71.61932	0.8
79.05479	6.3
81.03410	0.9
81.07017	0.8
83.01315	0.8
84.79910	0.8
85.06541	0.7
91.05466	3.3
93.07035	1.4
95.04967	2.1
97.06527	1.6
103.05437	1.4
105.07032	4.1
107.04953	55.6
107.05701	1.8
109.06503	5.1
113.05988	10.6
115.05390	1.3
117.07030	3.3
119.04922	2.0
121.06465	1.4
123.04443	4.0
125.05982	4.1
126.60403	0.9
129.06978	1.8
131.04927	4.2
131.08536	1.6
133.06497	4.1
134.09642	5.8
137.06004	1.2
139.07605	1.2
141.05467	1.2
141.07002	1.6
143.08566	3.6
145.06528	4.7
147.04391	1.2
147.08037	1.6
149.03969	0.8
149.05983	12.6
153.07024	1.4
155.08542	4.9
157.06516	1.8
157.10175	1.3
159.08055	5.2
161.05966	3.8
165.07045	2.1
166.07790	1.1
167.08524	3.3
169.06494	2.0
169.10158	1.8
171.08060	5.8
173.05933	1.1
179.08557	3.2
180.09375	1.0
181.06541	1.2
181.08728	2.0
181.10149	7.7
183.08069	7.3
183.11748	1.8
185.06017	1.2
185.09630	2.1
187.07629	1.2
191.08650	1.1
192.09358	3.6
193.10141	5.3
194.11766	51.8
195.08055	1.3
195.11739	3.6
197.09648	3.5
197.13304	1.6
199.07535	4.0
199.11229	1.5
206.10878	3.5
207.11681	7.0
209.09633	8.5
209.13277	1.9
211.07512	1.1
211.11234	5.9
213.09097	1.0
216.09392	1.4
219.08197	1.2
220.08754	1.4
221.09550	1.9
221.13251	4.7
223.11255	4.0
225.09093	2.0
225.12721	6.5
227.10672	4.1
231.11761	1.1
234.10538	1.6
235.11136	6.4
237.09125	3.4
237.12848	3.4
239.10698	3.6
239.14346	1.9
241.12369	1.5
249.12804	5.2
251.10681	1.8
252.11391	1.7
253.12234	9.0
255.10136	0.9
263.10568	1.1
265.12131	1.8
267.13834	5.5
277.12201	3.8
281.11807	1.4
285.14847	2.1
295.13266	15.0
299.12592	1.4
311.12921	1.9
313.14175	8.6
323.12817	4.0
341.13919	5.9
355.15558	4.8
373.16333	1.5
383.14783	1.1
401.16156	3.2
443.17096	1.7
461.18219	1.9
486.62222	1.0
563.21399	5.4
756.32214	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	756.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70570	0.8
57.54292	0.8
67.05504	1.4
76.62207	0.9
79.05485	6.1
88.33630	1.0
88.87887	0.9
91.05473	2.1
93.89904	1.0
95.04944	2.0
97.06499	1.7
105.07058	1.6
107.04956	62.5
107.05692	2.0
109.06530	6.5
113.05996	7.4
117.07008	1.9
119.04938	1.8
121.06480	1.5
123.04446	4.0
123.08087	1.1
125.06002	6.2
127.86588	0.9
128.06284	1.2
129.07014	3.9
131.04918	4.7
131.08618	1.6
133.06494	1.5
134.09660	4.4
137.05963	1.0
139.07513	1.8
141.06963	1.7
143.08607	1.6
145.06496	5.3
147.04448	1.2
147.08072	2.3
149.05997	13.8
151.07570	1.0
153.07126	1.1
155.08553	4.6
157.06433	2.0
157.10094	1.5
159.08046	4.7
161.05980	5.6
165.06931	1.3
167.08604	1.4
169.06451	2.3
169.10104	3.9
171.08089	6.3
173.06021	1.1
175.07634	4.1
179.08533	2.0
181.08748	1.8
181.10042	8.3
183.08040	9.2
183.11656	1.7
185.05977	1.6
185.09561	1.6
187.07599	1.8
192.09393	1.8
193.10141	4.6
194.11765	54.2
195.08063	1.9
195.11642	4.0
196.08780	1.1
197.09644	5.1
197.13248	1.4
199.07567	5.8
199.11255	2.2
201.09106	1.3
206.10883	1.6
207.11624	10.4
209.09618	10.7
210.10506	1.3
211.11186	5.6
211.14886	1.7
213.09116	4.7
215.10614	1.1
219.11639	1.7
220.08826	1.7
221.09735	2.3
221.13284	2.2
223.11215	5.0
225.09186	1.5
225.12773	6.1
227.10742	2.2
231.11676	1.6
234.10461	2.1
235.11192	5.8
237.09119	2.0
237.12819	3.8
239.10718	4.1
239.14328	2.2
241.12250	1.2
247.11147	1.3
249.12831	6.7
250.33946	0.9
251.10583	1.5
253.08456	1.0
253.12254	7.3
265.12207	1.2
267.13855	4.4
269.11731	1.7
271.13373	1.2
277.12302	5.9
281.11853	2.2
295.13242	16.1
299.13043	1.2
305.11685	1.0
311.12881	1.2
313.14349	9.8
323.12845	2.1
341.13782	7.3
355.15506	5.2
373.16501	1.3
383.14307	1.1
395.40338	1.1
401.15961	3.7
461.18192	5.8
523.87646	1.1
551.25323	0.9
563.21088	4.4
756.32208	100.0
758.22650	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	756.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
63.65973	0.6
69.03411	0.7
77.54632	0.6
79.05497	4.2
81.03423	1.2
81.07066	0.8
91.05479	2.6
92.17883	1.4
93.07027	1.2
95.04960	3.3
97.06545	1.7
103.05505	0.8
105.07035	3.1
107.04958	49.0
109.02866	0.7
109.06512	5.8
111.04445	0.7
113.05990	7.5
117.07024	2.8
119.04978	2.6
119.08564	1.0
121.06514	1.2
123.04395	3.1
125.06013	4.3
129.07005	3.0
131.04935	4.9
131.08574	2.9
133.06491	2.9
134.09689	5.4
137.05972	1.1
139.07538	2.8
141.06989	1.7
143.08574	3.4
145.06544	4.6
147.04446	1.3
147.08032	1.6
149.05984	12.2
151.07491	1.0
153.07051	1.2
155.08562	2.7
157.06522	1.7
157.10094	1.5
159.08066	4.5
160.45229	0.6
161.05971	5.9
166.07780	0.7
167.08562	1.4
169.06546	1.5
169.10159	3.7
171.08054	5.7
173.06023	1.7
175.07593	2.9
179.08568	1.7
181.06494	1.3
181.08687	2.4
181.10159	7.0
182.10881	0.8
183.08051	5.1
183.11656	3.9
185.06018	2.6
185.09602	2.7
187.07597	4.2
192.09375	3.0
193.10159	4.8
194.11774	43.8
195.08107	3.1
195.11717	3.3
196.08742	1.0
197.05994	0.9
197.09618	5.1
197.13348	2.5
199.07568	4.2
199.11282	1.2
201.09108	1.4
206.10939	2.5
207.11697	6.7
209.09624	7.3
209.13350	1.5
210.10561	0.8
211.11194	3.6
213.09142	3.4
219.11778	1.4
220.08885	1.2
221.09718	1.0
221.13322	3.4
222.10419	1.0
223.07639	1.1
223.11166	6.6
225.09148	3.1
225.12718	5.6
227.10669	3.1
229.08597	0.9
231.11768	1.3
234.10480	2.7
235.11180	6.2
237.09183	3.1
237.12784	3.4
239.10683	3.8
239.14293	3.7
241.08492	1.0
247.11363	1.2
249.12723	5.6
251.10805	2.8
252.11592	1.4
253.12199	5.4
255.10176	1.5
263.10657	0.9
265.12137	1.6
267.11182	0.8
267.13751	5.6
269.11926	1.2
277.12338	3.5
281.11734	1.7
285.14920	0.9
293.11801	0.9
295.13315	14.8
299.12994	1.2
313.14386	6.3
323.12833	1.7
328.31216	0.7
331.15607	0.7
341.13797	5.6
355.15509	3.4
359.15097	0.9
373.16650	1.1
393.23248	0.7
401.16086	2.9
461.18164	4.8
503.19186	0.8
563.21399	4.9
704.25842	0.8
756.32208	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	756.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
55.36759	1.4
59.05006	100.0
73.41039	1.5
79.91646	1.3
95.04990	2.3
95.08575	1.9
101.06022	21.9
105.07029	8.0
107.03383	1.4
107.08600	3.3
121.06448	2.4
123.08078	2.0
129.05470	85.9
131.08531	1.8
133.06485	22.5
133.10100	1.6
135.08060	2.6
143.08525	2.0
145.06441	1.7
147.08058	2.8
149.06020	2.1
155.08521	6.9
157.10120	7.0
159.08028	3.0
161.09599	7.6
167.08580	2.1
168.09251	2.2
169.10109	9.5
171.07970	3.0
171.11769	2.7
173.09688	2.8
180.09320	2.4
181.10144	7.2
183.11707	8.1
185.09573	7.2
193.10080	3.7
195.08032	1.7
195.11646	9.1
197.09697	7.1
197.13277	8.3
199.11177	8.4
205.10075	2.7
207.11687	5.8
209.09654	5.8
209.13304	5.8
210.10179	1.6
211.11107	12.5
213.08987	1.7
213.12708	3.2
217.10127	1.6
223.11162	8.1
223.14690	3.0
225.12767	10.1
227.10687	11.7
230.11237	1.5
232.12395	6.2
233.13196	2.6
235.01282	1.8
235.14754	1.9
237.12813	1.8
237.16406	6.0
239.14549	1.7
241.12135	3.6
247.14821	7.1
249.12973	1.6
250.13586	1.8
251.14268	6.5
253.12383	5.7
255.17564	2.0
260.11993	1.8
263.14288	2.3
265.15778	14.2
267.13693	1.7
269.15268	2.7
275.14261	9.5
278.12952	2.3
281.15399	2.1
283.16998	3.1
293.15366	19.4
311.16357	24.9
313.14352	2.3
353.17361	14.5
371.18689	16.7
375.47440	1.6
413.19507	9.1
431.20657	6.4
473.21765	3.3
545.27222	1.8
559.25330	3.3
577.26276	14.6
679.28851	6.5
731.60345	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	756.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81988	1.0
59.86749	1.1
79.05487	6.7
81.07048	2.0
83.05006	1.7
84.15599	1.2
91.05459	4.6
93.07014	2.4
95.04964	3.1
97.06487	1.4
103.05463	1.6
105.07059	9.8
107.04957	39.5
107.08589	5.7
109.06534	1.9
117.07027	1.5
119.08575	9.6
120.08098	100.0
121.06490	1.5
121.10145	2.9
123.08042	1.7
129.07025	1.4
131.04951	13.1
131.08582	2.8
133.06523	2.8
133.10124	15.4
135.08047	5.6
137.09610	2.2
143.08537	2.2
145.10114	2.3
147.08026	5.9
147.11685	1.4
149.05978	9.9
155.08551	2.0
157.10143	5.3
159.08096	2.4
159.11732	4.4
161.09586	5.8
163.11247	1.3
167.08522	1.5
169.10170	1.6
171.08081	1.4
171.11678	6.0
173.09592	1.5
175.07594	1.9
175.11284	2.2
180.10202	47.7
183.11693	5.4
185.09564	1.5
185.13347	2.3
187.11165	3.1
193.10115	2.1
197.09508	1.9
197.13258	5.6
199.11234	2.4
207.11734	6.3
209.09457	1.5
209.13293	5.2
211.11089	5.4
213.12753	6.4
220.12503	1.7
221.13303	2.4
223.11111	2.2
223.14795	1.8
225.12781	2.9
232.04004	1.4
233.13120	1.5
234.14046	2.8
235.14803	1.9
244.12416	1.6
247.11221	1.6
249.16397	6.3
259.15009	2.0
262.13474	2.5
267.17474	9.8
277.15872	11.1
285.18527	1.5
295.16904	26.6
313.17963	12.9
334.16074	1.4
337.17920	6.1
355.19046	19.3
397.20132	2.5
415.21100	7.4
457.22223	2.5
467.68866	1.3
534.28497	16.2
552.30237	1.5
576.29883	9.7
594.30664	10.8
696.33722	37.0
738.30280	1.5
756.35425	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	756.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
67.05489	1.7
79.05499	12.1
81.03414	2.2
85.02919	1.5
91.05450	8.7
93.07014	5.1
95.04956	3.4
95.08610	2.3
104.83284	1.2
105.07021	16.2
107.04946	82.0
107.08587	12.9
109.06488	1.9
110.07481	1.5
117.06973	1.4
119.04935	1.8
119.08591	12.5
120.08092	100.0
121.06454	1.7
121.10133	2.7
129.07008	6.8
131.04909	9.3
131.08578	6.2
133.06487	2.6
133.10118	20.7
134.09671	16.6
135.08086	2.6
143.08557	7.0
145.06496	1.8
145.10155	2.8
147.08064	11.8
149.05952	19.8
149.09647	5.0
155.08556	2.5
156.09329	2.1
157.10112	5.8
159.08054	3.2
159.11679	5.8
161.06007	1.6
161.09599	2.4
167.08530	3.2
169.10098	7.3
171.08086	2.5
171.11716	8.7
173.09628	3.2
175.07483	4.9
175.11182	1.5
179.08582	3.2
180.10188	69.0
181.10077	5.8
183.11674	7.9
185.13214	2.4
187.11147	8.3
193.10152	5.3
194.11778	2.3
195.11714	8.4
197.13211	3.0
199.11128	6.4
204.09221	9.7
207.11653	8.5
208.12440	1.5
209.13205	14.3
211.11185	6.3
213.12672	7.4
219.11665	23.6
221.09543	1.8
221.13232	7.5
222.10378	2.2
225.12816	5.6
227.14351	1.8
234.13998	6.0
235.11140	1.8
235.14877	1.4
237.12685	17.6
239.14294	5.2
247.11140	1.5
249.16347	6.0
250.15875	1.4
251.14264	2.1
262.13507	2.9
262.27737	1.6
267.17468	5.6
277.15866	9.0
279.13739	5.7
295.16956	18.0
297.14862	5.8
312.06274	1.4
313.18121	2.0
337.17856	3.2
337.66302	1.6
355.19080	8.8
397.20123	15.5
406.92175	1.5
415.20944	2.3
458.23560	5.7
518.25513	13.1
534.28394	74.9
578.27344	19.4
594.30597	15.9
606.00049	1.8
696.32629	2.5
756.34204	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	756.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
56.71173	0.9
57.59589	1.0
67.05516	1.5
69.03438	1.2
73.31319	1.1
74.06056	1.5
79.05480	7.1
81.03435	1.2
81.07036	1.4
85.02898	2.2
88.15737	1.2
89.50417	1.1
91.05479	5.2
93.07023	2.3
95.04935	1.7
95.08599	1.4
102.80912	1.3
103.05463	1.4
105.07025	9.0
106.12423	1.0
107.04955	40.6
107.08602	2.9
109.06496	1.7
117.07010	1.4
119.08572	6.9
120.08098	100.0
121.10113	2.4
123.08054	2.7
129.07028	1.1
130.07715	1.2
131.04930	13.1
131.08592	1.5
133.06502	2.1
133.10126	13.0
134.66829	1.1
135.08014	4.8
137.09615	2.2
143.08571	4.4
145.10161	4.6
147.08025	6.9
149.05995	9.4
149.09624	2.7
151.11082	1.5
155.08545	1.7
157.10095	5.3
159.11668	2.3
160.48375	1.2
161.09619	2.8
169.10130	2.5
170.10872	1.5
171.08012	2.0
171.11670	4.9
173.09612	2.6
175.07541	2.1
175.11223	2.0
180.10190	46.7
181.10156	2.6
183.11694	6.4
185.09637	1.6
187.11174	4.0
189.09055	2.0
193.10162	1.4
195.11673	4.9
197.09503	2.2
197.13306	1.4
199.11147	2.7
201.09097	1.4
203.10695	1.3
207.11699	4.8
209.09589	2.7
211.11182	6.7
211.14818	1.7
213.12737	6.1
222.11037	1.4
223.14758	2.3
225.12769	4.3
234.14059	4.3
235.14763	1.4
239.17862	2.2
247.11266	1.8
249.16391	6.9
259.14786	1.7
262.13538	4.6
267.17358	5.6
269.15353	1.3
277.15939	12.4
285.18375	1.5
295.16940	21.9
313.17963	13.4
337.17963	7.5
355.18997	16.6
373.20074	1.3
397.20056	2.8
407.71228	1.3
408.62729	1.2
415.21362	8.1
457.22168	5.4
517.24329	2.5
534.28491	13.5
576.29639	7.4
594.31036	8.6
636.31641	1.2
696.33740	33.0
756.35431	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	756.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77662	1.1
69.07037	1.3
79.05484	2.8
81.07064	1.9
83.05002	1.2
91.05488	10.0
93.07034	2.1
95.04953	1.8
95.08587	1.4
105.07034	6.7
107.04943	16.8
107.08593	4.7
119.04893	2.8
119.08572	5.3
120.08100	100.0
121.06476	1.2
121.10125	2.4
129.07019	1.2
131.04932	4.9
131.08586	2.4
133.10118	5.6
134.09625	4.4
135.08075	1.4
137.09700	1.4
143.08533	2.8
145.10135	2.4
147.08075	1.7
149.05980	4.8
149.09628	2.7
155.08556	2.4
157.10114	1.5
159.08052	2.6
159.11678	2.1
161.09570	1.4
167.08624	1.8
169.10068	2.4
171.11682	4.9
173.09579	2.9
175.11140	1.4
177.09103	1.4
180.10211	19.0
181.10002	4.7
183.11665	4.0
185.09695	1.3
185.13290	1.5
187.07585	1.3
187.11206	2.4
193.10117	1.8
195.11710	1.6
197.09705	1.5
197.13319	1.6
199.11151	7.1
201.12744	2.1
207.11685	6.1
209.09727	2.0
209.13277	2.1
210.11214	6.7
211.11182	2.3
213.12769	1.5
219.11711	2.1
220.12552	1.4
223.11121	2.0
225.12709	1.6
234.13928	2.0
249.16475	2.0
253.15791	1.6
262.13568	1.8
265.15915	1.4
267.17322	1.9
277.15814	2.5
295.16910	18.2
313.18073	7.5
355.19046	19.8
415.21179	8.9
491.15314	1.5
534.28589	21.7
549.97498	1.4
594.30786	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	756.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50567	0.9
57.58855	1.0
60.34563	1.0
60.53598	0.9
65.34007	1.0
67.05495	1.1
67.53540	1.0
67.66014	0.9
74.06070	5.5
76.27866	1.1
79.05489	4.6
83.33406	0.9
91.05471	2.1
93.07027	1.6
103.05446	4.6
105.07016	17.1
107.04954	15.5
107.08585	2.2
119.08528	2.0
120.08094	100.0
121.06467	1.3
121.10126	2.3
129.06960	1.8
131.04941	17.8
131.08563	4.3
133.06514	1.3
133.10153	9.1
143.08504	1.6
145.10124	2.4
149.05930	1.6
155.08556	2.6
155.21822	1.4
157.10127	5.2
159.08150	1.8
162.09183	1.0
167.08455	2.2
169.10120	2.1
171.11679	2.0
173.09698	1.4
175.07523	1.4
179.08563	2.1
180.10236	12.7
180.12590	1.2
181.10095	4.4
182.69154	1.1
183.11674	4.6
185.09549	1.5
187.11096	1.4
192.09308	1.6
193.10193	5.7
195.11671	7.0
197.09660	1.9
197.13258	1.4
199.11075	1.3
205.10124	1.7
207.11687	7.5
209.13242	2.7
211.11139	1.7
219.11685	6.8
220.12459	5.3
221.13310	5.3
223.11218	2.7
223.14771	4.9
225.12730	2.5
232.12462	2.0
233.09578	1.2
233.13298	1.3
234.14040	6.9
235.14864	4.5
237.12781	2.3
237.16417	1.8
239.14282	1.4
239.17909	1.5
244.12479	5.0
247.11183	1.2
247.14798	5.0
249.16356	9.7
249.80032	1.2
259.14896	2.4
262.13394	3.9
265.15945	2.0
267.17398	5.6
277.15793	17.2
283.16904	2.5
295.16809	8.6
307.16858	1.5
313.17966	1.6
319.16696	1.3
337.17807	6.5
355.19003	6.2
397.20197	1.7
415.20981	2.3
534.28644	1.5
594.30402	5.8
636.31378	5.1
654.32294	9.9
662.00421	1.2
696.33704	20.0
782.80603	1.3
786.11261	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	756.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55644	0.6
56.73179	0.8
62.25721	0.8
62.88763	0.7
66.12130	1.0
69.03414	0.8
69.07069	0.9
72.73487	0.8
74.06063	3.4
76.98604	0.8
77.71639	0.8
79.05489	1.7
91.05460	1.8
92.18414	1.0
93.07029	2.1
95.04940	1.3
103.05458	4.3
105.07024	19.9
107.04951	13.1
107.08575	2.1
117.07027	1.3
119.08588	3.9
120.08101	100.0
121.06519	1.7
121.10147	1.5
129.07022	2.1
131.04921	22.5
131.08548	1.8
133.06468	1.9
133.10089	8.0
143.08543	4.5
145.10147	1.8
147.08049	1.8
149.05980	4.3
155.08531	1.8
157.10115	1.8
159.08022	1.9
159.11697	1.6
161.09610	1.0
167.08574	1.3
169.10123	1.7
170.10793	0.9
171.08052	0.9
171.11696	3.2
173.09691	1.8
179.08626	1.5
180.10220	8.9
181.10097	3.5
183.11713	3.1
185.09613	1.7
185.13303	1.3
192.09377	2.0
193.10133	5.9
194.10948	1.6
195.11679	6.9
196.08765	1.2
197.09654	1.0
197.13254	2.0
206.10977	1.9
207.11653	8.4
208.12543	1.0
209.09579	1.1
209.13295	4.2
211.11215	4.8
217.10173	1.7
219.11635	5.1
220.12433	4.7
221.13205	4.1
223.11285	3.6
223.14806	3.2
225.12682	1.1
225.16521	1.0
232.12473	2.0
233.13202	1.1
234.13948	8.0
235.11191	1.4
235.14828	3.7
237.12695	1.6
237.16415	4.1
239.10744	1.1
239.14168	1.0
244.12448	4.8
247.11186	3.3
247.14806	1.9
249.16341	12.0
250.13464	1.2
259.14804	4.9
260.31189	0.8
262.13409	3.1
265.15894	5.5
267.17529	1.1
277.15891	15.5
283.16864	2.1
295.16821	7.5
313.18118	1.3
319.17209	1.0
325.18060	1.1
337.17969	3.6
348.91885	1.0
355.18939	4.3
397.20163	1.3
415.21091	1.7
457.22180	1.3
496.48447	1.0
594.30658	5.7
601.63202	1.1
603.46826	1.0
636.31641	3.9
654.32465	9.0
696.33899	20.0
718.36011	1.3
756.35052	2.0
758.15735	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	756.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25106	0.6
54.28651	0.6
54.82907	0.6
55.87458	0.6
56.19516	0.6
56.90852	0.6
58.89735	0.7
65.43941	0.6
69.03416	1.0
69.07067	1.0
71.92422	0.6
74.06068	3.8
79.05486	2.7
81.07049	1.2
83.04961	1.1
91.05463	3.4
93.07018	1.3
95.04943	1.3
95.08577	1.2
99.41890	0.7
102.11462	0.8
103.05462	4.1
105.07034	17.0
107.04958	14.8
107.08598	3.2
117.07006	1.5
119.08572	4.8
120.08099	100.0
121.06476	2.9
121.10157	1.5
123.08027	0.9
129.06953	0.9
131.04930	20.7
131.08533	1.7
133.06474	4.8
133.10106	8.7
135.08049	0.8
143.08554	3.8
145.06512	1.1
145.10127	3.0
147.08023	3.8
147.11688	0.8
149.05989	3.3
149.09538	0.9
155.08502	1.4
157.10117	4.0
159.08047	1.1
159.11647	1.2
161.09657	0.9
162.09111	1.0
167.08533	1.2
169.10092	1.7
170.10918	1.5
171.08055	0.9
171.11670	1.5
173.09613	1.8
175.07552	1.1
175.81908	0.8
179.08566	1.4
180.10229	10.8
181.10065	4.1
183.11653	1.5
185.09650	1.0
185.13371	1.1
192.09344	3.9
193.10092	6.8
194.10995	1.4
195.11725	6.9
197.09669	1.3
197.13229	4.6
205.10106	1.5
206.10907	1.6
207.11676	9.9
208.12473	3.5
209.09625	2.9
209.13268	3.6
211.11182	3.4
219.11685	4.7
220.12469	1.8
221.09595	0.8
221.13297	4.6
223.11192	3.9
223.14865	2.9
225.12750	2.8
227.14278	1.1
229.10098	0.9
232.12454	4.1
233.09622	0.9
233.13312	1.0
233.84988	0.8
234.13940	7.9
235.11171	2.9
235.14812	3.7
237.12755	0.9
237.16251	2.3
239.10820	0.9
244.12476	4.2
247.11189	3.6
247.14862	4.5
249.16373	12.5
251.14258	1.2
253.12265	1.0
256.46036	0.8
259.14810	4.7
262.13574	5.7
265.15869	5.8
267.17474	3.4
277.15829	20.7
283.16956	2.9
295.16827	11.3
297.70877	0.8
313.18033	2.7
313.30463	0.9
325.18182	1.2
337.18030	5.4
355.18954	6.9
385.20029	1.0
397.20065	3.3
415.21130	3.1
534.28864	1.3
594.30450	6.4
636.31824	5.0
654.32678	11.1
683.85535	0.7
696.33734	27.3
756.35907	3.4
770.77362	0.9
784.83148	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	757.2185
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03422	1.0
57.34850	0.2
69.03421	0.9
71.04630	0.3
71.04991	6.5
72.31811	0.2
73.02901	0.3
73.63585	0.2
74.23004	0.2
75.04460	0.2
81.03402	0.2
81.58115	0.2
85.02398	0.4
85.02900	9.8
89.51324	0.2
97.02863	1.2
109.02858	0.2
120.15792	0.2
127.03889	0.4
129.05444	1.3
145.04904	0.3
187.80000	0.2
251.71278	0.2
287.05469	100.0
449.10742	28.3
449.15686	0.3
611.16254	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	758.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86610	1.2
57.47914	1.2
74.06023	2.4
79.05477	7.2
81.07062	2.2
86.75829	1.4
91.05479	72.9
93.07045	3.4
95.04962	3.1
95.08588	2.8
97.06516	1.6
100.97950	1.3
103.05487	11.8
105.07034	18.2
107.04953	15.6
107.08616	3.0
109.06491	3.2
113.05981	5.5
117.07027	1.8
119.04938	16.4
119.08607	10.5
120.08095	78.1
121.06506	2.6
121.10142	5.4
123.08051	2.9
125.05984	9.5
129.06996	1.9
131.04918	47.3
131.08551	5.8
133.06461	3.2
133.10126	5.6
134.09622	20.5
135.08058	1.5
139.07495	1.5
143.08557	7.9
144.70024	1.4
145.10077	7.2
147.08051	6.0
149.05939	6.0
151.07559	1.9
155.08586	6.1
157.10121	6.8
159.08073	3.4
159.11771	1.7
161.09648	2.5
162.09198	2.3
165.05519	1.9
167.08496	2.0
169.10080	3.2
171.08032	2.5
171.11658	3.1
173.09595	2.5
175.07576	7.4
177.09047	1.7
179.08582	3.1
180.10269	13.6
181.10088	2.7
183.08105	1.5
183.11757	5.9
185.09608	6.0
185.13188	2.4
189.09055	1.8
192.09387	1.9
193.10156	8.0
195.11673	10.5
197.09579	3.5
197.13287	7.0
199.11278	1.9
206.10921	2.1
207.11766	7.1
209.13232	6.9
210.11250	65.8
211.11186	2.9
211.14937	2.5
213.12709	2.6
219.11707	3.4
220.12502	1.8
221.13188	12.3
223.11128	6.8
223.14769	3.1
224.12099	1.6
225.12656	6.5
231.11647	2.5
235.14822	3.0
237.12685	3.1
237.16431	2.8
239.14386	5.4
241.12183	1.6
246.13988	3.4
247.11081	1.7
249.12764	2.5
251.17987	2.6
261.16486	8.6
263.14389	3.1
267.13889	2.8
279.17468	7.7
281.15335	5.5
297.18521	2.4
309.14804	7.9
316.85623	1.7
327.16040	10.7
369.16965	2.7
535.39185	1.7
554.66998	1.4
555.31293	1.5
578.31708	4.8
638.33563	11.5
652.42883	1.7
698.35211	59.4
758.33777	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	758.338
Annotation	Conoideocrellide A
Peak:m/z	Relative Intensity
58.17162	1.4
69.34190	1.3
79.05484	3.5
81.07047	2.5
91.05480	42.8
91.06032	2.5
93.07024	7.8
95.04965	3.1
104.25874	1.5
105.07034	8.5
107.04951	24.7
107.08596	3.5
109.06522	3.6
111.04462	2.2
111.05823	1.4
114.66621	1.6
117.07000	1.8
119.04958	15.2
119.08592	2.7
120.08134	2.5
121.06491	6.9
121.10120	5.7
123.04409	1.7
123.08023	2.1
125.05937	1.7
131.08565	2.2
133.06468	2.3
133.10080	2.7
134.09647	40.9
135.08105	2.8
137.06036	1.9
143.08522	5.2
145.10162	3.1
147.04399	17.1
147.08107	3.2
149.02316	1.7
149.06017	9.8
149.09601	2.8
159.08063	2.7
159.11781	2.0
161.09595	3.1
165.05534	1.5
165.07054	1.4
169.10139	2.9
171.07986	1.6
171.11626	1.5
173.09662	1.8
177.09198	3.1
181.10164	3.6
183.11697	1.8
185.09645	2.9
187.07463	1.6
187.11284	2.6
191.10651	2.1
192.09302	1.6
193.10237	2.6
194.11772	16.9
195.11658	2.3
197.09628	2.0
197.13344	2.0
199.11180	6.1
205.10181	1.9
210.11258	48.1
211.11237	3.2
215.10591	1.9
220.12465	1.6
221.13245	2.0
223.11095	2.9
235.14893	2.4
249.12962	1.7
251.10696	1.8
252.12303	9.3
255.13966	1.7
263.14417	3.1
267.13809	2.2
279.13831	1.7
281.15366	2.3
299.16473	2.2
309.14938	6.5
327.16153	6.9
345.16931	1.9
479.71396	1.5
549.23370	3.1
596.28711	3.0
698.32159	2.3
740.32599	6.9
758.33716	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	758.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08477	0.4
61.42562	0.4
64.78667	0.4
65.13783	0.4
77.03934	0.5
86.09690	2.5
95.04951	0.7
103.05460	27.5
103.06154	0.9
124.99991	0.9
127.16119	0.4
131.04916	100.0
133.06483	2.0
136.15152	0.4
153.06885	0.4
155.08556	0.6
159.08134	0.6
161.09636	0.7
169.10081	0.7
173.09586	0.7
177.83496	0.4
179.08598	0.5
181.10175	2.5
183.08012	0.6
183.11703	2.5
184.07314	8.7
192.09399	1.8
193.10146	1.1
195.11739	2.4
197.09669	1.0
197.13252	2.0
199.11180	3.1
207.11655	3.8
209.09665	2.0
211.11116	6.1
223.11156	2.7
223.14853	0.5
225.12692	4.2
227.10707	5.4
235.11201	4.0
237.51817	0.5
247.14900	0.7
253.12212	10.9
257.13391	0.5
265.15872	2.0
269.11578	3.6
275.14301	2.1
293.15259	3.4
295.13348	2.1
302.68982	0.6
311.16336	2.3
313.14322	2.9
353.17664	4.1
355.15500	2.1
371.18604	0.6
413.19580	0.6
443.18585	1.0
473.21573	0.9
503.20770	1.9
533.23639	0.9
561.24744	0.7
621.27057	0.7
644.26208	0.5
663.27850	1.9
681.28809	2.9
758.56696	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	758.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90223	0.6
57.83809	0.7
67.05505	1.0
68.82234	0.8
70.56017	0.7
74.06078	1.0
79.05482	4.9
81.07054	2.0
91.05466	3.9
93.07038	2.0
95.04947	1.7
95.08592	3.2
101.08817	0.8
103.05457	12.3
105.07033	27.4
107.04951	18.6
107.08577	5.1
109.06515	3.7
109.10117	1.1
117.07018	3.4
119.08569	11.3
120.08098	100.0
121.06477	1.2
121.10159	7.3
121.10881	0.7
123.08028	1.4
128.06215	0.9
129.06972	3.1
131.04922	53.8
131.08574	6.1
133.06490	1.2
133.10085	6.2
135.08005	3.2
137.09657	0.9
141.06970	1.0
143.08556	4.8
145.06450	1.1
145.10127	5.2
147.08044	4.8
147.11697	0.9
149.06009	2.9
149.09642	1.7
150.47139	1.0
151.07550	1.0
155.08536	3.3
157.10129	5.3
159.08015	3.6
159.11679	1.3
162.09160	4.2
165.06955	0.9
167.08568	1.5
169.10112	3.6
171.08022	1.2
171.11670	3.9
173.09599	2.0
175.07596	1.0
179.08525	1.3
180.10245	16.6
181.10098	5.9
183.11615	1.9
185.09694	1.1
185.13258	1.6
187.11162	0.8
193.10139	3.6
194.10910	1.4
195.11665	8.6
197.09633	1.0
201.12744	1.0
206.10921	3.1
207.11719	4.4
208.12421	1.7
209.09579	1.4
209.13255	8.7
211.14832	1.4
219.11668	1.7
220.12138	0.8
221.13269	6.3
222.11243	3.4
223.14853	1.3
225.12645	1.0
231.11670	4.0
235.14723	1.6
236.15527	1.1
237.12762	4.1
237.16388	1.5
246.14047	5.3
249.16382	0.9
251.17931	5.9
255.17644	0.9
261.16327	5.6
264.15259	0.9
269.19128	1.1
279.17450	9.4
295.11780	2.9
297.18387	4.6
339.19556	1.1
363.63293	0.8
383.02444	0.8
383.21338	0.9
392.62668	0.9
399.21475	1.8
456.87036	0.8
459.23441	1.0
578.31067	4.3
596.32568	1.0
638.33258	40.2
654.96948	0.8
656.34113	1.7
698.35315	52.0
758.37274	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	758.374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54487	1.0
67.05486	1.6
69.03452	1.2
79.05486	5.2
79.97082	1.1
81.07108	1.2
84.87741	1.1
91.05498	9.1
92.17869	1.2
93.07034	2.1
95.04948	1.5
103.05474	13.3
105.07033	23.7
107.04947	25.2
107.08607	5.4
109.06487	1.4
113.18901	1.1
117.06982	1.3
119.08569	6.4
120.08098	100.0
121.10152	2.0
123.07983	1.6
126.15160	1.3
129.07025	1.6
131.04922	53.1
131.08563	5.7
133.10149	5.6
135.08028	1.8
143.08543	6.3
145.10089	5.2
147.08055	2.4
149.05997	7.9
155.08588	2.7
157.10178	4.6
159.08041	2.7
159.11664	2.0
161.09555	2.1
169.10127	5.5
171.11710	1.9
173.09651	1.5
179.08522	3.0
180.10211	22.3
181.08600	1.3
181.10164	5.3
182.10822	1.5
183.11664	6.2
185.09651	2.7
185.13281	2.2
193.10135	8.2
194.10901	2.3
195.11761	8.7
197.09644	1.5
197.13217	5.6
205.10114	2.0
207.11703	6.7
209.13202	10.3
210.11255	6.6
211.14905	5.0
218.76808	1.3
219.11723	6.3
220.12415	2.6
221.13121	4.1
223.11154	2.6
226.47076	1.1
231.11723	5.1
235.14714	5.7
236.15683	1.7
237.12788	5.4
237.16238	1.5
246.14021	6.6
251.17909	4.5
255.13771	1.5
261.16391	7.4
279.17419	13.2
297.18439	5.1
313.88269	1.2
339.19440	2.2
357.20676	1.4
518.28674	5.0
529.82928	1.3
578.31158	9.4
596.32263	1.7
638.32904	10.4
698.35321	57.7
710.12262	1.5
758.37231	49.5
770.19739	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26749	2.5
55.05502	3.6
57.03432	3.6
58.29793	2.5
67.05510	46.2
69.07067	7.3
70.79138	3.0
71.04973	21.7
79.05495	22.2
81.07057	100.0
83.08616	14.1
85.06519	5.9
91.05469	23.6
93.07043	45.3
95.04939	4.9
95.08610	36.1
95.60368	3.1
105.07031	13.7
107.08592	29.6
107.49648	3.1
109.10157	14.5
111.08002	3.5
117.07000	3.6
119.08564	4.0
121.10127	31.9
123.11683	19.9
133.10086	30.2
135.11705	14.4
145.10139	5.9
147.11667	4.7
149.13213	4.3
151.11162	7.4
159.11708	4.2
187.13306	5.3
235.46353	3.4
238.54283	3.1
269.17505	4.3
301.20151	17.9
335.25729	16.9
355.37283	3.0
503.37228	69.5
529.38556	18.8
561.33752	4.6
561.41437	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1977
Annotation	Quercetin 3-sambubioside-7-glucoside
Peak:m/z	Relative Intensity
53.97340	0.2
54.84011	0.3
55.01870	0.4
55.99592	0.2
57.03428	1.3
59.07956	0.2
61.02913	1.3
69.03429	1.9
73.02921	6.3
74.19590	0.2
81.03435	0.3
83.36654	0.3
85.02404	0.3
85.02895	5.9
86.72041	0.3
87.30117	0.3
97.02894	3.2
107.19709	0.3
109.43464	0.3
110.27280	0.3
115.03899	1.8
127.03860	0.6
133.04984	0.5
143.35895	0.4
145.04889	0.5
303.04965	100.0
435.09021	0.4
465.10257	32.9
597.14636	0.4
627.15350	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	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25758	2.8
54.94757	2.9
57.78654	2.9
61.48828	3.0
68.61725	3.8
81.03400	3.1
81.95827	2.8
93.07034	6.0
98.87315	2.9
109.10149	3.7
109.82465	3.9
113.84181	3.1
119.08512	4.7
123.23006	3.2
123.80141	3.4
144.17796	3.6
164.49008	4.2
207.42325	3.2
441.46460	3.8
465.20862	18.3
759.42865	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	759.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68169	0.7
55.04465	0.6
57.03428	1.4
58.43282	0.7
61.02923	2.0
67.05490	4.7
69.03448	1.2
73.02901	4.3
78.27035	0.8
79.05495	6.8
81.03410	1.1
81.07053	3.1
85.02905	5.1
91.03940	3.8
91.05491	3.2
92.16140	0.7
93.07014	8.0
95.08630	3.0
97.02870	3.8
101.02388	2.8
105.07017	5.0
107.08572	3.3
109.73244	0.7
119.08585	3.8
121.10132	1.0
127.03931	1.6
127.70704	0.8
129.06995	0.9
133.10147	1.5
143.08519	0.9
145.10197	1.0
147.11687	3.5
161.13268	0.9
167.05722	0.7
185.04231	1.0
194.97348	0.9
243.08450	4.6
247.13040	1.9
301.08926	1.4
315.10455	1.1
465.21030	12.5
535.28754	5.0
537.23199	1.3
759.42834	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	760.353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.4
60.20407	0.7
67.84274	0.8
68.44114	0.7
69.07121	0.8
85.02909	1.0
85.06543	2.8
91.05477	4.0
92.18409	0.9
95.04934	1.4
103.05466	20.9
105.07036	0.9
107.04953	11.0
109.06487	1.0
119.04991	0.9
123.08102	0.8
131.04919	100.0
133.10088	0.9
134.09625	11.3
143.08536	4.4
147.08043	1.0
149.06056	3.3
151.07590	1.1
155.08542	1.0
157.10162	1.2
159.08061	1.8
169.10139	1.9
171.08038	1.1
171.11707	1.5
173.09659	4.0
183.08244	1.4
185.09599	3.1
187.11330	1.4
189.09186	1.2
194.11766	9.5
195.08086	1.8
195.11792	2.9
197.09583	1.9
197.13326	1.6
199.11299	1.1
201.09106	1.6
203.10674	0.8
206.10872	1.0
207.11749	1.0
210.11418	1.4
211.11295	1.2
211.14859	1.9
213.09128	1.5
213.12737	1.3
215.10730	2.7
215.14410	1.3
216.40581	0.7
221.13315	1.3
225.12811	3.8
239.14273	5.5
241.08583	0.8
249.12531	1.2
267.13782	4.4
307.56815	0.8
309.14984	1.3
327.16071	1.1
760.35327	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04200	0.7
59.79031	0.6
65.83375	0.8
72.04509	1.4
72.91532	0.7
79.05481	9.7
89.14004	0.7
91.05480	16.5
92.18482	1.8
93.07032	1.2
95.04957	1.2
103.05456	3.3
105.07034	4.1
107.04952	100.0
109.06510	1.4
115.61652	0.8
119.04950	3.9
119.08581	3.5
123.08088	1.2
131.04951	7.2
131.08620	0.9
133.06479	1.7
134.09648	25.0
135.08018	1.2
143.08571	4.1
143.43433	0.8
145.10170	1.3
147.04442	0.7
147.08005	1.3
149.05975	18.1
151.07616	0.9
155.08463	2.5
157.10133	4.2
159.08099	3.0
159.11693	0.9
161.09598	1.6
169.10155	3.9
171.08109	1.0
171.11742	4.2
173.09650	1.7
176.10686	1.1
181.10072	0.7
183.11728	3.6
185.09592	2.9
189.09108	1.4
192.09253	0.8
194.11765	68.5
195.11833	4.5
196.12498	1.3
197.13307	5.1
201.09134	1.1
203.10767	1.0
206.10976	1.2
207.11678	1.7
209.13225	1.2
210.11244	18.7
211.11328	1.3
211.14838	3.9
213.09207	1.5
213.12750	1.4
215.10799	0.8
221.13158	5.2
223.11282	1.4
225.12794	5.0
228.62579	0.7
231.10059	1.1
235.14821	1.0
239.10603	0.9
239.14240	6.2
249.12842	1.6
253.15710	1.5
257.15356	1.3
263.14200	1.2
267.13892	5.1
281.15497	3.1
285.14905	2.8
293.14886	0.7
299.16528	0.8
309.14877	1.3
327.15918	5.6
345.17114	1.8
447.20337	1.5
612.45734	0.8
673.12952	1.0
700.32849	1.8
760.35278	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20443	0.8
55.60141	0.9
59.74872	0.9
63.11475	1.0
65.72767	1.0
82.38780	1.0
87.16764	1.0
90.38497	1.2
91.05475	100.0
103.05453	2.1
105.07032	1.6
107.04977	4.9
115.05423	1.2
119.04941	24.7
129.06949	1.4
131.08585	1.1
133.06490	1.9
134.09644	86.0
138.72223	1.3
141.06911	1.3
147.04355	10.3
155.08565	1.5
155.64127	1.2
158.72942	1.3
164.10736	1.4
165.06989	5.7
166.07697	2.3
167.08539	1.6
169.10028	1.3
178.07721	12.9
179.08549	15.0
180.09340	2.1
181.10153	5.1
183.11667	2.2
191.08592	4.7
192.09282	28.7
193.10121	9.1
194.11855	3.9
195.11685	6.1
205.10114	5.1
206.10704	1.5
207.11687	41.0
208.09076	1.1
209.09607	4.9
209.13278	2.2
210.11243	91.8
217.10130	2.6
219.11626	4.8
220.08791	6.8
223.11140	15.1
225.12775	5.0
235.11153	24.6
237.12775	5.0
249.12843	1.3
252.12263	4.7
253.12184	15.1
267.13852	1.5
293.15491	1.6
295.13290	2.7
302.79453	1.1
313.14285	5.5
327.92145	1.3
399.12183	1.4
418.22278	1.3
450.92758	1.2
494.25330	12.2
504.23788	8.3
522.24847	25.5
564.26025	21.5
582.26910	70.8
603.33350	1.2
624.27875	2.0
641.68658	1.4
700.32422	4.0
760.34058	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	760.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05480	91.0
93.07059	1.6
103.05472	2.4
105.07035	5.1
105.57346	1.1
108.58599	1.0
117.07011	1.2
119.04925	20.8
119.08577	2.0
120.08086	4.8
131.04927	0.9
131.08530	1.2
133.06479	2.1
134.08618	1.8
134.09657	50.5
135.08061	1.5
143.08522	1.7
147.04404	2.4
147.08023	2.1
155.08583	1.4
159.08040	1.3
165.06927	2.1
167.08528	5.5
169.10144	2.4
179.08620	6.8
180.09247	1.8
181.10158	5.3
189.02483	1.0
192.09348	2.1
193.10112	5.5
194.10809	6.7
195.08028	1.6
195.11722	5.1
196.09734	15.8
199.11275	1.2
204.09358	5.3
206.10738	3.3
207.11554	3.3
209.09854	1.2
209.13252	12.7
210.11249	100.0
211.11169	4.7
219.11626	9.1
221.13315	5.0
222.10378	3.6
223.11134	1.3
225.12721	2.1
227.14319	1.5
235.11305	1.5
237.12711	13.7
252.12386	1.9
253.12419	1.8
290.11960	1.0
297.14853	4.5
488.24405	1.6
506.25156	6.9
548.26703	9.1
548.33978	1.6
566.18848	1.6
566.27350	24.2
584.28424	6.0
682.32123	3.5
698.09796	1.1
700.33154	7.5
760.32336	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	760.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.2
61.70417	0.6
70.30083	0.8
72.04493	1.1
74.89509	0.7
79.05482	1.8
81.01666	0.7
81.07067	0.8
85.02895	0.9
85.06533	1.2
91.05466	3.8
95.04971	1.0
97.06483	0.8
103.05468	19.4
105.07021	1.0
107.04956	29.8
108.05249	0.8
119.08654	0.9
123.08047	0.9
131.04919	92.5
131.08566	1.3
133.06509	1.1
134.09653	15.0
143.08559	1.8
145.06497	1.4
145.10178	1.3
147.08031	1.5
149.05991	4.7
152.46397	0.8
155.08549	3.1
157.10101	1.6
159.08086	1.8
161.09601	1.1
163.07462	1.0
169.10114	3.0
171.08005	1.5
171.11647	1.5
173.09674	3.0
181.10133	1.3
183.08002	1.5
185.09604	3.8
189.09177	1.2
194.11757	18.2
194.13373	1.2
195.08099	0.9
195.11845	3.5
196.12471	0.9
197.09630	1.1
197.13290	3.2
199.11240	1.2
202.61293	0.8
206.10817	1.2
210.11243	5.3
211.11177	1.3
211.14851	1.8
213.09209	2.0
213.12775	1.8
221.13303	4.7
225.08981	1.0
225.12743	3.9
236.00319	0.9
239.14349	4.9
241.12115	1.1
243.13828	1.1
249.12848	1.0
257.15280	1.8
267.13885	5.1
281.15298	1.0
285.14941	3.1
320.21228	0.9
327.15851	1.9
332.79590	0.9
391.36954	1.1
760.35272	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	760.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95720	0.9
79.05486	1.3
91.05475	83.4
91.75764	1.1
93.07047	1.4
94.26512	1.0
103.05454	2.3
105.07026	4.9
107.04961	7.9
112.10322	1.0
119.04935	19.8
119.08545	1.5
120.08086	1.3
121.06511	1.2
131.04881	1.2
131.08524	1.4
133.06487	1.9
134.09647	55.4
135.08061	1.1
143.08501	1.6
147.04414	5.8
149.05956	2.2
159.08057	1.7
164.10643	1.2
165.06961	1.7
167.08499	4.4
169.10123	1.5
177.09161	1.2
179.08562	4.7
180.09314	2.1
181.10094	6.3
183.08037	1.4
192.09279	1.1
193.10063	2.5
194.12016	2.5
195.11816	5.3
196.09775	4.6
204.09351	2.5
206.10892	1.5
207.11676	6.2
209.09596	1.1
209.13220	12.7
210.11240	100.0
211.11246	6.1
219.11699	5.3
221.13277	5.1
222.10390	2.6
223.11096	1.3
225.12660	1.7
235.11156	1.6
237.12660	11.6
252.12303	5.9
253.12219	2.6
295.13284	1.1
297.14789	2.4
478.25751	1.5
506.25558	4.0
534.24695	1.5
548.26428	8.2
566.27356	23.8
617.22992	1.3
640.30927	1.5
682.31427	3.6
700.32874	5.2
760.34613	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04963	12.1
105.03396	100.0
135.53160	9.1
162.21069	10.6
168.77081	10.6
181.10115	14.0
197.09554	15.9
200.90361	10.5
211.11218	13.0
227.10710	15.4
253.12288	12.8
271.13141	12.8
293.15344	21.6
311.26999	12.2
355.15353	16.1
371.18442	18.8
423.18234	10.3
543.38525	10.2
553.24286	18.0
643.83777	11.1
765.79047	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06090	1.7
79.05501	9.1
91.05472	2.6
93.07013	2.1
102.43771	1.2
105.03385	7.3
105.07040	5.7
107.04951	100.0
119.08578	1.4
120.08092	29.9
129.06955	2.1
131.04926	1.2
131.08565	1.6
141.06955	1.3
143.08560	2.4
147.08017	2.8
149.05952	19.2
155.08586	2.8
165.06929	1.9
169.10095	5.6
170.19788	1.3
179.08528	13.7
180.10210	58.0
181.10098	2.9
183.11687	9.8
191.08572	7.0
192.09328	7.0
193.10088	12.0
195.11761	2.4
196.12341	1.6
197.09697	1.3
197.13251	1.7
205.10071	1.6
206.10898	33.8
209.13272	2.0
211.14799	13.9
221.13229	62.4
223.14861	1.6
239.14233	32.0
249.18678	1.4
261.16437	1.6
281.15335	2.6
299.16406	6.6
301.52853	1.4
341.17581	3.1
355.79950	1.3
360.25089	1.4
389.32523	1.5
400.22736	1.8
460.18881	1.6
460.24445	14.2
478.25458	1.5
520.26917	62.3
582.27814	2.1
642.30579	37.9
682.33484	2.9
700.34637	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	760.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70969	1.0
59.04998	1.5
74.06069	1.4
76.96305	1.1
78.53365	1.1
79.05506	8.7
91.05476	1.6
93.07039	1.3
105.03387	1.8
105.07040	4.8
107.04959	100.0
119.08582	1.5
120.08099	23.5
121.41100	1.1
123.55087	1.2
129.06996	1.3
131.08504	2.2
143.08493	3.0
147.08084	2.2
149.05977	22.4
155.08490	2.6
157.10213	1.2
165.07056	1.8
169.10114	2.5
179.08548	14.8
180.10236	53.8
181.10179	2.4
183.11694	8.5
191.08548	5.7
192.09323	4.8
193.10089	10.6
195.11798	2.5
197.13120	1.3
206.10901	29.1
211.14804	10.7
221.13242	58.1
228.87611	1.3
233.47873	1.2
239.14340	24.1
281.15356	2.8
299.16449	8.3
306.60471	1.3
341.17542	1.4
418.01108	1.2
429.50888	1.5
460.24710	13.2
478.25681	2.5
520.26929	57.0
642.30701	43.4
682.33667	3.0
700.35223	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	760.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83656	1.0
59.05001	1.9
70.60864	1.2
79.05480	8.9
81.07120	1.2
91.05497	2.0
93.07047	2.2
95.04960	1.7
105.03392	6.5
105.07030	6.6
107.04955	100.0
109.06493	2.1
120.08088	28.6
129.06999	2.7
143.08559	3.2
147.08023	2.1
149.05986	19.1
155.08571	1.5
157.10162	2.0
165.06940	1.4
167.08568	1.7
169.10115	5.8
179.08551	14.1
180.07814	1.4
180.10222	51.5
180.40474	1.5
181.10149	1.9
183.11659	8.1
185.23297	1.2
191.08565	8.1
192.09305	8.8
193.10104	8.7
195.11632	2.4
197.13237	5.1
205.10052	1.8
206.10896	29.8
208.12621	1.8
209.13214	1.5
211.14734	11.1
221.13243	54.6
224.12119	1.8
239.14330	27.9
261.16351	1.7
281.15323	3.0
293.79376	1.7
299.16443	7.1
308.89618	1.4
341.17834	4.0
460.24850	16.3
478.25940	1.9
520.26929	79.6
520.34668	2.7
642.30548	38.8
682.34705	1.6
700.35242	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	762.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
67.05510	1.9
69.03428	1.4
77.03912	2.7
79.05484	8.6
81.07054	1.7
91.05483	28.2
93.07030	8.1
95.04968	8.8
95.08598	2.1
105.03396	71.4
105.04475	2.2
105.07037	10.6
107.04954	72.2
107.08605	2.6
108.54325	1.0
109.06494	1.2
117.06996	1.3
119.04938	7.7
119.08594	7.8
121.06490	7.3
121.10136	6.8
123.08047	4.4
131.08568	2.2
132.30579	1.3
133.06468	7.7
133.10112	5.1
134.09648	6.9
135.08061	4.4
143.08560	2.3
144.66740	1.2
145.06494	1.5
145.10152	2.2
147.08032	1.8
149.05962	16.7
149.09621	4.7
151.07504	1.6
155.08488	1.3
157.10056	2.1
159.08011	2.7
161.09578	5.1
167.08554	1.7
169.10091	7.6
171.11740	1.5
173.09576	1.8
175.07541	1.6
177.09082	2.2
179.08521	2.7
181.10081	2.4
183.11690	4.5
185.09599	1.6
193.10176	4.9
194.11775	100.0
195.08115	1.6
195.11682	5.9
197.09660	2.1
197.13228	1.8
206.10921	4.7
207.11711	5.1
208.12468	1.5
209.09669	1.8
209.13266	1.9
210.11237	24.5
211.11151	4.4
211.14774	2.1
212.12029	1.4
213.09030	1.5
213.12698	2.3
220.12474	4.4
221.13298	4.6
222.10347	2.2
223.11298	1.8
225.12849	2.3
235.14931	1.6
236.12007	1.4
237.12753	2.4
237.16425	1.4
239.14296	4.8
248.11934	1.2
249.12825	2.0
253.15910	2.6
263.14331	2.7
265.16068	1.4
267.13760	4.1
281.15384	5.6
299.16553	1.3
309.14771	9.2
327.15872	9.2
367.96463	1.3
369.16589	1.1
387.18088	1.7
449.19437	1.5
509.21585	29.4
569.23993	2.7
599.41864	1.3
743.28027	1.6
762.34851	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	762.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
62.32427	1.0
67.05487	2.2
67.31277	1.0
69.03423	1.4
77.03945	1.4
77.57801	1.0
79.05482	8.5
83.04961	1.7
85.23309	1.2
85.97672	1.1
91.05472	5.0
92.17915	2.3
93.07032	6.7
95.04946	11.7
95.08580	2.0
96.23237	1.0
105.02673	1.5
105.03393	68.3
105.04475	3.8
105.07008	14.1
107.04951	69.9
107.08604	4.6
109.06522	2.4
118.79701	1.1
119.08575	7.4
121.06480	6.4
121.10118	6.2
123.08056	5.6
131.08549	2.0
133.06494	9.9
133.10118	4.9
135.08041	5.3
143.08606	1.9
145.06529	1.7
145.10130	2.6
147.08035	4.8
149.05974	18.3
149.09576	6.1
151.07596	1.6
155.08589	2.5
157.10138	5.2
159.08026	2.7
159.11792	1.7
161.05956	1.3
161.09648	4.7
165.06956	1.2
167.08527	1.1
169.10106	5.0
171.08014	1.4
171.11676	2.6
173.09593	1.9
175.07491	1.2
177.08994	2.3
179.08551	1.2
181.10132	2.8
183.11661	6.6
185.09584	2.2
192.09358	1.3
193.10132	4.8
194.11771	100.0
195.11787	2.8
197.09618	2.6
197.13287	1.4
199.11240	1.8
205.10121	1.7
206.10904	6.0
207.11670	2.6
208.12480	1.4
209.09642	2.0
209.13274	7.0
210.10510	1.6
211.11163	2.7
211.14813	1.8
213.12831	1.4
220.12442	6.3
221.13268	5.0
223.11253	5.7
224.11903	2.7
225.12866	4.0
233.09775	1.2
235.14725	2.5
237.12747	2.7
239.14331	4.4
240.11205	1.3
241.12074	1.2
248.11868	1.5
251.14365	1.7
253.15877	1.5
263.14157	1.9
265.99167	1.1
267.13800	2.6
281.15372	5.3
287.32651	1.4
291.13812	4.5
299.16458	1.6
309.14886	8.6
327.15958	9.6
387.17923	2.4
449.19830	1.3
500.13147	1.2
509.21664	31.6
552.57910	1.2
569.23761	4.7
762.33728	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	762.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84198	1.5
79.05483	7.8
81.07063	2.1
91.05497	3.7
93.07030	6.9
95.04965	6.9
103.05441	2.3
105.03396	50.8
105.07021	7.0
107.04259	3.2
107.04954	76.2
107.08553	3.6
114.08070	1.7
119.08572	9.3
121.06492	3.2
121.10138	2.5
123.08014	2.0
131.04868	12.9
131.08566	2.8
133.06502	3.8
133.10147	3.8
134.09669	30.9
135.08043	2.2
145.06490	2.0
145.10081	2.7
147.08043	3.9
149.05977	17.7
149.09662	7.8
157.10110	3.8
159.07918	2.4
167.08574	2.9
169.10095	2.0
171.11656	2.3
175.07558	2.5
181.10181	2.1
185.09505	1.9
194.11781	100.0
195.11734	3.5
196.08804	1.8
197.09586	3.9
197.13313	2.3
199.11310	2.8
207.11771	2.9
209.13286	3.9
211.11208	1.8
211.14815	3.2
220.12425	2.1
221.13194	2.6
222.10469	2.0
223.11150	2.7
224.11821	1.9
225.09000	1.9
235.14803	3.3
239.14316	2.2
244.11760	1.9
263.14246	2.1
281.15259	3.0
291.13693	2.3
309.14963	8.3
327.16043	7.3
345.17090	2.2
506.12723	1.8
509.21603	24.7
569.23480	2.5
686.35675	2.0
762.36163	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	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
57.86756	1.2
61.02929	5.6
61.09967	1.3
67.05507	2.9
67.37552	1.2
69.07082	1.7
71.04989	2.8
73.02915	6.2
81.03431	1.6
81.07066	5.6
81.18680	1.5
83.05730	1.5
85.02902	7.1
91.03957	6.2
91.05502	1.9
92.17940	2.3
93.07047	3.6
95.08599	7.2
97.02887	3.1
105.07035	1.4
107.08558	1.4
109.10148	1.9
115.35097	1.3
127.03925	2.4
133.10210	1.5
135.11655	2.1
140.56084	1.4
148.71127	1.4
149.13229	2.7
150.94205	1.3
151.11342	2.0
205.09801	1.5
243.08469	3.5
267.15659	3.0
485.23630	13.0
519.29510	7.8
763.46069	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	764.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.04195	0.9
73.06583	1.1
77.03899	1.4
79.05480	1.6
81.07075	1.1
91.05473	9.4
92.18484	2.8
93.07015	4.1
95.04982	10.1
95.08574	1.4
105.03391	100.0
105.04512	6.0
105.07037	1.8
107.08587	2.1
109.06493	2.1
119.04935	2.5
119.08563	1.9
121.06519	4.1
121.10179	1.2
123.08038	6.8
133.06482	6.6
133.10074	1.2
134.09634	1.7
135.08022	2.7
137.09590	2.1
139.07469	1.2
145.06476	1.3
147.07997	1.7
149.05946	1.7
151.07587	2.3
153.09068	2.7
159.07997	1.3
161.05994	1.8
163.07581	2.6
169.10062	1.4
173.05939	2.1
175.07529	2.1
179.08447	1.7
179.69164	1.1
183.11687	2.0
185.09595	1.5
193.10063	1.9
195.11725	2.3
197.09543	1.7
201.09158	1.7
207.11720	1.5
209.09572	1.7
210.11186	8.3
211.11125	4.8
213.09169	2.0
214.87968	1.2
221.09676	1.5
221.13248	1.4
223.14752	1.5
225.12717	1.4
227.10626	1.6
227.14429	1.1
229.08714	1.5
229.12212	1.5
233.13400	1.5
235.11163	1.3
236.11880	1.9
237.12726	4.0
239.10608	1.6
241.12328	2.2
249.09138	2.4
250.09766	2.4
251.14304	4.6
253.12222	4.7
255.13832	2.0
261.12704	1.4
264.11404	5.2
265.08450	1.7
265.12094	1.4
269.15417	1.5
279.13770	9.8
281.11813	11.0
282.12576	1.9
283.13260	1.5
292.10913	1.5
295.13098	2.8
297.14795	4.9
307.13217	10.9
323.13086	1.5
325.14310	8.2
337.14444	1.5
343.15433	1.4
357.16721	1.4
367.15424	1.9
385.16391	2.9
427.17294	1.6
445.18533	2.8
447.17944	2.5
451.16638	1.4
505.20398	11.6
506.25800	1.6
567.22217	70.1
669.25696	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	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
63.87570	0.9
64.08155	1.2
69.47227	1.1
87.12656	1.2
91.05480	5.0
93.07030	5.1
95.04961	8.9
95.08608	2.9
105.03394	100.0
105.04499	3.4
105.07017	5.2
107.08576	7.3
108.58000	1.1
117.06973	1.3
119.04921	1.2
119.08552	1.8
121.06484	2.3
121.10159	1.4
122.38846	1.1
123.08049	6.9
125.09623	1.3
131.08496	1.1
133.06491	7.8
135.08055	5.5
137.09579	4.6
143.08527	1.9
145.06505	2.5
147.08051	2.8
149.05972	1.8
151.07552	2.0
153.09090	4.8
155.08533	1.4
157.10216	1.3
157.63217	1.2
159.07983	1.7
161.05991	4.9
161.09575	2.1
163.07495	2.5
173.05943	1.8
175.07524	5.0
175.11172	1.2
179.08617	2.3
181.10109	1.7
183.11812	1.9
187.07576	1.5
191.07011	1.8
193.10106	1.8
194.10895	1.6
195.08025	1.7
195.11772	1.2
197.09694	1.9
199.11125	1.3
207.08195	1.4
207.11716	1.3
208.12393	1.3
209.09615	1.7
209.13321	1.8
211.11133	4.7
213.12706	1.6
217.10065	1.3
218.10912	2.0
221.09579	1.9
222.10481	1.5
223.11311	1.4
225.12714	2.4
233.09657	1.3
236.11900	2.3
237.12839	4.4
239.10622	4.4
239.14371	1.8
240.11423	1.7
241.12183	2.8
246.10262	1.8
249.12985	1.6
251.14273	2.9
253.12267	4.4
261.12576	2.4
264.11407	2.0
265.12283	2.1
267.10287	1.7
267.13660	1.6
269.15439	2.3
277.12189	1.6
279.13727	11.8
281.11819	8.4
283.13354	1.8
292.10788	1.6
295.13327	2.6
297.14871	6.5
307.13358	13.3
325.14240	9.7
343.15656	2.5
357.16455	1.2
359.44815	1.2
367.15332	1.8
385.16495	5.6
403.17551	2.1
443.78513	1.2
445.18488	4.4
505.20691	11.7
549.21313	2.4
567.22253	60.9
627.24066	1.4
749.90680	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	764.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05515	1.4
56.96486	1.3
61.90404	1.1
67.05492	1.7
67.83566	1.2
69.03420	1.6
77.03912	1.8
79.05460	3.3
80.86868	1.2
81.07038	2.4
91.05474	60.5
93.07037	9.4
95.04945	12.2
95.08571	5.1
97.02013	1.5
103.05461	3.3
105.03383	100.0
105.04476	4.7
105.07014	15.3
107.04954	1.7
107.08601	6.6
109.06490	3.2
109.10123	1.6
115.05443	1.8
119.04922	9.1
119.08575	10.2
120.08093	20.3
121.06517	10.2
121.07238	1.2
121.10139	8.2
123.08047	7.6
129.06967	1.5
131.08537	5.2
133.06480	11.8
133.10112	11.5
135.08038	3.1
137.06006	2.6
137.09581	1.6
138.52274	1.5
143.08574	3.1
145.06537	2.2
145.10110	5.3
147.08031	6.7
149.05965	1.9
149.09622	6.1
151.07538	2.4
153.00423	1.5
155.08534	2.1
157.10129	7.4
159.08038	9.7
161.09589	6.5
165.05615	1.3
165.07024	1.8
168.09244	2.2
169.10149	5.6
171.08115	3.1
171.11700	2.5
173.09657	2.2
175.07469	2.6
177.09056	2.9
178.07787	1.7
179.08530	3.1
181.10123	3.2
182.10938	1.6
183.11708	7.2
185.09593	1.9
185.13152	1.5
187.07358	1.6
189.09036	2.2
192.09332	1.7
193.10115	2.8
194.10866	1.8
195.11681	5.9
196.09685	75.9
197.09601	2.0
197.13225	2.8
199.07712	1.3
199.11263	1.7
206.10892	8.3
207.11595	2.2
208.06941	1.8
208.12402	2.6
209.09692	2.7
209.13217	6.9
211.11160	5.7
211.14812	3.0
213.12761	3.3
220.04611	1.3
220.12468	8.2
221.13281	6.7
222.10281	2.1
223.11147	5.9
223.14841	1.8
224.11882	1.6
225.12651	2.5
234.10231	1.6
235.14787	2.3
237.12772	2.2
239.14359	7.4
247.11313	1.8
248.12010	2.0
249.12842	2.2
251.10712	1.5
251.14400	2.4
253.15724	2.4
255.13834	2.3
263.14297	7.8
267.13812	2.7
281.15378	7.1
283.13498	1.4
291.13702	1.6
299.16229	1.9
309.14828	10.4
327.15875	12.0
344.16055	1.6
387.17996	3.3
509.21634	43.2
535.82129	1.8
569.23712	6.7
645.93719	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	764.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42670	2.8
69.03426	6.5
76.78511	3.4
79.05513	3.7
83.72861	2.9
84.32085	3.3
91.05479	80.7
92.18460	8.3
93.07037	6.5
95.04938	15.8
105.03394	90.3
105.04504	3.7
105.07010	20.4
117.58826	2.9
119.04945	20.5
119.08570	15.4
120.08082	18.2
121.06520	4.8
121.10075	5.0
123.08025	5.9
131.08502	3.7
133.06415	11.4
133.10132	6.2
135.08078	3.7
143.08658	4.0
145.10265	3.7
147.08052	6.0
149.09694	4.5
157.10126	5.7
159.11768	3.6
161.09669	6.8
164.25478	3.4
169.10062	6.2
173.09561	4.0
174.75406	3.2
179.06990	4.0
196.09695	100.0
197.09610	4.4
197.13298	3.6
206.10886	15.5
209.13252	15.7
210.11317	24.8
220.12480	4.0
223.11098	4.8
237.12822	6.7
263.14276	3.9
267.13742	4.0
281.15320	7.4
299.16443	3.6
309.14886	16.6
327.16025	17.5
341.38391	3.1
359.11862	3.7
387.18155	3.8
509.21771	47.4
559.37195	3.5
569.23285	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	764.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01875	1.4
59.57255	1.5
79.05486	5.9
81.07037	2.9
88.13503	1.5
91.05480	61.9
93.07041	9.3
94.41437	1.4
95.04976	15.2
95.08592	6.1
103.05421	2.3
105.03394	100.0
105.04469	2.5
105.07012	14.3
107.04934	1.8
107.08579	6.1
109.06518	2.8
109.10187	2.0
119.04953	11.3
119.08584	12.8
120.08102	22.2
121.06492	10.0
121.10162	5.7
123.08058	7.1
131.08549	2.8
133.06471	13.2
133.10127	7.7
135.08035	3.7
141.08058	1.6
143.08554	3.9
145.10159	3.3
147.07999	3.6
149.05988	6.2
149.09596	3.4
151.07539	3.7
155.08507	2.0
156.09351	2.4
157.10139	3.6
159.08009	3.7
161.09601	7.8
163.11145	1.8
169.10095	7.4
171.11674	3.5
173.09569	2.0
175.07471	2.5
175.11105	2.7
179.08545	2.8
181.10118	2.9
183.11732	6.1
185.09639	1.9
193.10141	6.9
194.10954	3.3
195.11662	9.7
196.09694	92.5
197.09648	6.5
197.13216	2.6
199.07518	1.7
206.10904	8.1
207.11682	3.7
209.09392	2.0
209.13261	5.9
211.11234	5.8
211.14795	2.6
213.12785	2.6
220.12485	3.1
221.09628	1.8
221.13272	6.2
222.10358	5.8
223.11090	8.0
224.11983	3.5
225.09050	2.2
225.12761	2.7
227.14304	1.9
235.11150	1.6
235.14874	6.3
237.12758	2.7
239.14363	3.0
248.11885	2.1
249.12622	3.5
253.15756	3.3
255.13617	2.3
263.14380	7.2
267.13913	6.3
281.15414	7.8
291.13672	1.8
297.14847	1.6
299.16281	2.0
309.14734	11.1
327.15952	17.8
334.79044	1.9
345.16843	2.5
387.17899	2.8
449.19226	1.6
509.21701	45.0
554.50903	1.7
569.23688	3.1
762.25256	1.8
773.95978	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	764.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.01854	1.7
56.51334	1.3
67.05515	1.8
69.03428	2.3
77.03929	1.7
77.28033	1.5
79.05481	2.9
81.03401	1.9
87.11983	1.7
91.05478	66.8
92.17927	3.3
93.07030	11.2
95.04985	15.6
95.08582	2.5
103.05443	2.0
105.03397	100.0
105.04524	7.6
105.07024	20.7
107.04942	3.5
107.08582	7.4
119.04949	14.7
119.08570	12.7
120.08100	22.6
121.06509	8.1
121.10124	7.9
123.08063	7.6
129.07011	2.2
131.08549	2.4
133.06514	12.1
133.10109	10.2
134.09663	15.4
135.08047	2.8
143.08527	7.0
145.10121	6.7
147.08090	7.6
149.06018	1.8
149.09563	6.8
155.08588	3.5
157.10121	3.4
159.08067	3.8
161.09589	7.1
165.07011	2.4
167.08592	2.4
169.10117	9.8
171.11734	2.9
173.09520	1.9
175.07544	3.8
175.11142	2.1
177.09277	2.5
181.10042	5.9
183.11690	3.9
185.09633	7.0
190.32565	1.7
192.09354	2.8
193.10155	3.6
194.10936	3.0
195.11636	10.0
196.07841	3.1
196.09682	94.6
196.12415	3.0
197.09604	3.6
197.13249	3.8
199.11139	2.4
206.10890	8.0
207.11766	6.0
209.09683	2.6
209.13248	8.2
210.10963	2.8
211.11162	2.7
211.14912	3.4
213.12820	1.8
220.12518	6.8
220.71040	1.7
221.13237	7.2
222.10425	3.2
223.11115	6.2
223.14684	3.0
225.09259	3.2
225.12749	2.4
232.22101	1.7
235.11058	1.8
237.12836	3.9
239.14233	3.9
241.12045	1.7
248.12048	2.2
249.12816	7.3
253.15727	2.1
263.14313	9.4
265.12415	1.9
267.13803	3.5
279.13367	1.8
281.15414	9.0
285.15158	1.6
291.13757	2.7
297.14783	3.2
299.16354	2.3
306.51025	1.7
309.14886	13.4
327.15768	16.8
331.98645	1.8
387.18085	3.3
436.06549	1.8
509.21567	41.5
544.38879	1.9
569.23560	4.0
764.35681	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	765.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84176	2.3
59.68772	2.5
64.34660	2.4
67.05499	3.2
69.51643	2.1
77.06673	2.8
79.05480	3.3
81.07048	3.4
85.02911	2.8
91.05465	14.7
92.18476	3.9
93.07028	3.8
95.08540	2.3
97.06544	3.3
105.07030	32.0
105.25417	2.8
107.08620	3.9
109.06528	3.4
111.08070	3.0
117.07015	3.0
119.04942	36.8
119.08534	5.4
121.06477	5.6
121.10143	5.2
123.08076	5.6
131.08522	3.3
133.06494	66.0
133.10086	3.3
135.08064	5.0
137.09642	14.8
143.08568	5.3
145.06451	5.6
145.10133	6.1
147.04417	89.2
147.08049	3.8
151.11195	3.3
153.40341	2.6
155.08607	4.5
157.10114	5.1
159.08092	13.2
159.11664	3.9
161.09592	5.2
163.11111	3.2
163.66899	2.9
171.11714	4.1
173.09625	3.1
173.54509	2.5
175.11162	2.9
177.12761	3.1
183.11664	11.3
185.09601	5.0
187.11235	4.8
189.05467	100.0
189.09023	3.4
195.11739	5.2
197.09647	10.2
197.13297	4.4
199.11208	5.7
203.10646	5.0
207.11729	9.4
211.11223	4.1
219.11807	3.7
223.11151	10.4
225.12753	4.9
225.16420	3.3
229.10179	2.7
235.11096	4.0
235.14990	3.7
244.12619	3.1
249.16362	12.7
253.15840	5.5
259.14810	2.9
262.13501	4.3
267.17459	6.2
268.37814	3.0
277.15927	20.6
295.16940	48.7
313.17944	54.0
318.98032	2.7
337.18057	3.9
355.19031	72.1
373.20123	6.1
397.19937	5.1
415.21487	4.4
448.70218	2.6
561.24670	20.9
603.25989	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	768.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51567	0.5
56.39063	0.5
67.05508	0.6
72.04507	1.1
79.05470	1.1
81.07068	0.7
91.05486	19.0
92.17833	1.1
93.07014	0.9
95.04979	1.6
97.06503	0.7
105.07026	3.9
107.04958	3.2
107.08604	1.2
109.06532	0.7
117.07003	1.0
119.04939	65.0
119.08586	4.3
121.06474	1.1
121.10099	1.5
123.08112	0.8
123.79881	0.6
129.07016	2.3
131.08531	0.8
133.06488	4.5
133.10149	3.1
134.09653	80.5
135.08049	1.6
137.09674	1.0
143.08543	3.0
145.10194	1.0
147.04408	100.0
147.08055	3.0
147.11688	0.7
148.11185	1.1
149.09663	1.1
155.08600	2.2
157.10133	1.3
159.08018	1.4
159.11699	1.0
161.09613	0.8
163.07507	1.0
164.10689	1.0
165.05473	2.6
167.08543	1.1
169.10187	3.6
171.11699	3.3
175.07571	0.8
179.08531	1.4
181.10190	1.2
183.08070	0.8
183.11720	4.1
185.09535	1.1
187.11247	0.9
189.05478	6.1
193.10115	4.4
194.10936	0.8
194.11813	1.2
195.11681	3.2
197.09645	1.3
197.13245	2.8
199.11159	1.4
206.11015	1.1
207.06487	3.1
207.11697	3.6
208.12560	1.2
209.09628	0.8
209.13274	3.2
210.11278	6.9
211.11147	1.2
213.12714	0.9
215.14439	1.3
217.10103	0.8
219.11639	1.6
220.12483	1.6
221.13232	1.3
223.11125	1.0
223.14766	1.1
225.12839	3.2
225.16437	1.1
229.09782	0.7
233.13185	1.6
234.13995	3.1
235.11166	1.2
235.14925	2.5
237.12755	1.0
244.12373	1.1
249.16234	4.6
251.14357	2.9
252.12294	78.3
253.12273	0.8
253.15884	2.9
259.14816	1.3
262.13507	1.1
267.17441	3.6
277.15836	5.7
294.13339	2.9
295.16959	13.0
313.18063	4.9
337.18048	1.3
355.19098	4.0
366.12506	0.7
397.20428	2.1
517.24457	1.2
590.30811	1.6
606.30566	5.1
666.32568	1.4
708.34064	1.5
768.35956	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	768.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77874	0.2
54.31037	0.2
55.01881	0.2
67.05502	1.0
68.30063	0.2
69.03428	0.3
69.07048	0.3
72.04491	0.9
72.60862	0.2
73.99415	0.2
79.05476	1.0
81.07031	0.4
83.04964	0.5
85.02873	0.3
91.05476	10.3
93.07030	0.9
95.04974	3.1
95.08610	0.2
96.84726	0.2
97.06541	0.3
105.07044	2.4
107.04893	0.3
107.08584	1.3
109.06524	1.2
111.04430	0.3
115.05428	0.3
115.46994	0.3
117.07004	1.2
119.04940	10.5
119.08583	3.4
120.06699	0.2
121.06512	0.3
121.10139	0.5
128.06244	0.2
129.06993	1.7
131.08551	1.8
132.08070	0.4
133.06505	1.2
133.10101	4.3
134.09653	100.0
135.08057	1.4
137.09628	0.4
142.07729	0.2
143.08566	2.0
145.06454	0.5
145.10150	1.2
147.04401	14.5
147.08073	2.7
147.11681	0.4
148.11182	0.3
149.09677	0.9
155.08543	0.3
156.09357	1.1
157.06444	0.3
157.10141	1.5
159.08063	1.2
159.11696	1.4
161.09605	0.5
162.09137	0.5
163.07565	0.6
164.10715	0.4
165.05461	0.4
165.07011	0.3
167.08510	0.5
169.10159	1.7
170.10902	0.3
171.08170	0.4
171.11674	2.4
173.09593	1.0
173.13240	0.4
175.07559	1.7
175.11171	0.5
179.08554	1.0
181.10178	0.6
182.10864	0.4
183.08075	0.3
183.11668	2.0
185.09711	0.4
185.13292	0.5
187.11201	2.5
189.05461	1.1
189.12749	0.4
193.10085	1.9
194.10934	1.1
195.11662	2.5
197.09613	1.1
197.13240	2.0
199.11188	1.4
201.12808	0.3
203.10605	0.4
205.10129	0.4
206.08099	0.4
206.10925	1.0
207.06473	0.3
207.11678	2.8
208.09680	2.2
208.12436	0.5
209.09816	0.4
209.13255	2.0
210.11275	8.4
211.11267	1.4
211.14874	0.3
212.12012	0.3
213.12781	1.1
215.14339	1.5
219.11671	1.8
220.12563	1.3
221.09671	0.4
221.13266	1.3
222.10384	0.4
223.11227	1.0
223.14816	0.5
225.12828	1.6
225.16347	0.4
227.14407	0.3
229.10229	0.4
233.13295	1.1
234.10374	0.3
234.13965	3.6
235.11078	0.9
235.14751	1.0
236.12004	0.5
237.12743	1.7
239.10655	0.3
239.17960	0.5
244.12483	1.9
247.11182	1.5
249.16357	3.8
250.10789	1.6
251.14307	1.1
252.12305	11.3
252.14685	0.4
253.15942	0.4
258.55655	0.2
259.14926	1.4
261.16428	0.4
262.13461	2.8
265.12317	0.3
265.15976	0.3
267.17374	2.4
277.15839	7.1
279.17606	0.9
295.16925	9.7
297.18472	1.1
313.18054	1.3
319.16937	0.3
337.18073	2.7
339.19537	1.0
346.58994	0.3
348.40359	0.3
355.19135	1.6
397.20044	4.4
399.21597	0.3
415.21109	0.6
429.56628	0.2
457.22473	0.4
502.63559	0.2
517.24084	0.4
546.28168	0.9
580.00122	0.3
606.30560	10.2
666.32971	2.1
708.33887	0.3
768.35968	11.0
768.48871	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	768.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.9
72.04511	73.8
74.06062	0.8
91.05461	3.4
93.07020	0.8
100.18560	0.8
105.07046	2.0
105.32394	0.9
107.08607	2.0
109.06577	0.9
118.30605	0.8
119.04934	6.1
121.10107	2.1
124.84396	0.9
131.08553	1.9
133.10074	1.5
134.09644	100.0
135.04527	0.8
135.08038	1.3
143.08575	1.6
145.10123	1.8
147.04414	4.6
157.10127	5.1
159.11620	1.3
169.10149	1.2
171.11732	1.3
181.10094	3.4
183.11674	6.6
192.10187	44.4
193.10074	1.1
197.13330	3.3
205.26753	0.9
207.11671	5.7
209.13219	1.7
211.14758	1.9
213.75839	0.8
223.14735	1.1
225.12863	0.9
227.14227	1.9
232.90155	0.9
234.11256	12.1
234.13748	1.6
239.17854	4.3
249.16330	8.5
252.12283	7.6
267.17371	13.4
285.18491	4.2
295.16858	1.4
309.18533	1.4
327.19370	3.6
411.96143	1.0
648.31219	1.8
708.33771	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	768.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83374	0.6
61.94211	0.6
65.03950	0.8
72.04517	75.4
74.06083	2.9
91.05461	1.7
95.08608	0.8
105.07030	4.2
107.08614	3.0
111.08092	1.1
115.05502	0.9
119.04940	7.7
119.08569	3.4
121.06480	0.8
121.10126	4.1
129.06914	0.7
131.08545	1.3
133.10118	1.1
134.09651	100.0
135.08043	1.6
140.28909	0.6
143.08551	3.7
144.64915	0.7
145.10104	1.2
147.04408	8.3
147.11632	1.2
157.10155	4.0
159.11678	0.9
164.10687	0.7
169.10104	1.4
171.11694	1.1
181.10124	1.4
183.11688	6.3
192.10217	33.7
193.10136	3.6
195.11711	1.1
197.13318	0.9
199.11115	0.9
207.11742	5.7
209.13266	3.2
211.11143	1.3
211.14809	1.2
221.13101	1.1
225.12729	1.3
227.14267	1.4
234.11256	7.0
234.13733	2.1
239.17981	3.2
243.97495	0.9
249.16385	10.9
252.12312	5.2
263.54492	0.7
267.17416	12.2
279.57608	0.8
285.18463	1.6
309.18527	1.3
327.19519	0.9
625.83771	0.8
708.33661	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	768.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72352	0.7
72.04514	3.3
84.01336	0.7
91.05487	10.2
105.07014	1.2
115.76478	0.7
119.04942	59.6
119.08564	1.1
123.08096	0.7
133.06509	1.0
134.09654	35.4
135.08054	1.2
143.08516	0.7
147.04407	100.0
165.05482	3.2
189.05466	6.0
192.10323	2.4
207.06532	3.0
210.11298	1.3
249.16261	0.8
252.12300	88.4
267.17398	1.0
294.13354	4.8
295.16833	0.9
360.17783	0.7
397.19916	0.6
415.30963	0.6
666.32629	2.4
708.33063	3.0
768.35828	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	768.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
66.95235	0.4
72.04514	6.9
81.07031	0.5
86.71951	0.3
91.05471	4.5
93.07031	1.4
95.04958	1.7
95.08594	0.6
96.51505	0.3
96.86719	0.3
97.23605	0.3
104.38036	0.4
105.07030	2.7
107.08585	1.7
109.06496	0.6
109.10168	0.5
117.07003	0.5
119.04934	14.6
119.08569	2.2
121.06501	1.7
121.10156	1.4
123.11722	0.6
129.06981	0.5
131.08556	1.6
133.06483	1.5
133.10135	2.3
134.09647	100.0
135.08054	0.6
135.11771	0.4
137.09557	0.4
141.06952	0.4
143.08571	2.1
145.10133	1.2
147.04402	19.7
147.08058	1.5
147.11626	0.5
149.09633	0.4
151.11162	0.5
155.08574	1.7
156.09367	1.4
157.10147	2.1
159.08051	2.2
161.05942	0.7
161.09627	1.4
163.07547	0.5
167.08589	0.5
169.10109	1.6
171.07996	1.7
171.11612	2.9
173.09648	1.2
175.07527	1.5
175.11258	0.5
177.09064	0.5
180.09346	0.4
181.10184	1.3
182.10910	0.4
183.11685	2.2
185.09628	0.6
185.13162	0.6
189.05446	0.7
189.09085	0.6
192.10204	2.0
193.10158	1.7
194.10857	0.4
195.11729	2.0
196.12440	0.5
197.09618	1.5
197.13316	1.6
199.11221	2.2
201.12706	0.5
207.11790	2.4
208.12408	0.5
209.13309	0.5
211.11128	2.9
213.09007	0.4
213.12743	1.3
220.12460	0.4
221.13184	0.6
223.11136	0.4
223.14882	0.5
225.12758	1.4
225.16374	0.6
229.12459	0.4
235.11172	0.6
239.10661	0.4
239.14143	0.4
239.17905	0.7
243.13788	0.4
244.12463	0.4
249.16328	3.2
252.12306	11.0
252.14906	0.5
253.15742	0.4
259.14853	0.5
262.13467	0.7
267.17337	3.9
277.15863	3.8
285.18491	0.4
294.13458	0.7
295.16888	8.6
313.17950	4.9
337.17819	0.6
340.22665	1.4
355.19284	2.4
358.23737	0.6
373.20142	1.4
400.24637	5.2
415.21109	0.5
426.42169	0.4
433.53964	0.3
442.26016	1.4
519.50903	0.4
708.33777	0.4
768.35919	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	768.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
66.95235	0.4
72.04514	6.9
81.07031	0.5
86.71951	0.3
91.05471	4.5
93.07031	1.4
95.04958	1.7
95.08594	0.6
96.51505	0.3
96.86719	0.3
97.23605	0.3
104.38036	0.4
105.07030	2.7
107.08585	1.7
109.06496	0.6
109.10168	0.5
117.07003	0.5
119.04934	14.6
119.08569	2.2
121.06501	1.7
121.10156	1.4
123.11722	0.6
129.06981	0.5
131.08556	1.6
133.06483	1.5
133.10135	2.3
134.09647	100.0
135.08054	0.6
135.11771	0.4
137.09557	0.4
141.06952	0.4
143.08571	2.1
145.10133	1.2
147.04402	19.7
147.08058	1.5
147.11626	0.5
149.09633	0.4
151.11162	0.5
155.08574	1.7
156.09367	1.4
157.10147	2.1
159.08051	2.2
161.05942	0.7
161.09627	1.4
163.07547	0.5
167.08589	0.5
169.10109	1.6
171.07996	1.7
171.11612	2.9
173.09648	1.2
175.07527	1.5
175.11258	0.5
177.09064	0.5
180.09346	0.4
181.10184	1.3
182.10910	0.4
183.11685	2.2
185.09628	0.6
185.13162	0.6
189.05446	0.7
189.09085	0.6
192.10204	2.0
193.10158	1.7
194.10857	0.4
195.11729	2.0
196.12440	0.5
197.09618	1.5
197.13316	1.6
199.11221	2.2
201.12706	0.5
207.11790	2.4
208.12408	0.5
209.13309	0.5
211.11128	2.9
213.09007	0.4
213.12743	1.3
220.12460	0.4
221.13184	0.6
223.11136	0.4
223.14882	0.5
225.12758	1.4
225.16374	0.6
229.12459	0.4
235.11172	0.6
239.10661	0.4
239.14143	0.4
239.17905	0.7
243.13788	0.4
244.12463	0.4
249.16328	3.2
252.12306	11.0
252.14906	0.5
253.15742	0.4
259.14853	0.5
262.13467	0.7
267.17337	3.9
277.15863	3.8
285.18491	0.4
294.13458	0.7
295.16888	8.6
313.17950	4.9
337.17819	0.6
340.22665	1.4
355.19284	2.4
358.23737	0.6
373.20142	1.4
400.24637	5.2
415.21109	0.5
426.42169	0.4
433.53964	0.3
442.26016	1.4
519.50903	0.4
708.33777	0.4
768.35919	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	768.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67749	1.1
59.05005	1.3
59.34904	0.9
65.03952	1.1
69.07073	1.1
70.70677	1.0
72.04499	6.0
78.03773	1.0
79.05490	6.8
84.50644	1.1
90.87521	1.1
91.05486	7.9
92.10528	1.0
93.07039	5.5
105.07009	4.4
107.04958	100.0
113.51527	1.1
119.04942	22.3
119.08579	5.1
123.45945	1.1
124.13326	1.3
129.06963	1.4
131.08565	5.4
133.06508	1.8
134.09663	55.3
143.08569	5.3
145.06465	1.1
147.04408	34.5
147.08049	4.7
147.10490	1.1
149.05972	19.1
155.08540	2.5
157.10176	3.9
167.08502	2.6
168.09163	1.2
169.10117	4.5
174.75925	1.1
179.08571	9.0
181.10127	5.5
183.11650	8.4
189.05519	1.8
191.08597	4.6
192.10265	1.8
193.10126	6.8
194.11771	68.1
195.11697	6.0
196.12405	1.2
197.13206	2.0
206.10912	14.5
208.12430	1.9
211.14786	10.9
219.11710	1.6
221.13222	29.3
223.14812	6.1
224.12016	1.6
239.14314	11.8
247.51237	1.0
252.12286	30.0
294.13409	2.2
299.16443	4.4
341.17642	1.4
429.49274	1.2
474.26437	17.2
492.27475	1.5
534.28522	75.9
650.36957	34.4
708.41113	12.8
729.37842	1.5
745.40918	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	768.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69068	2.6
55.01870	4.2
55.05510	13.1
57.03424	3.6
61.67148	2.2
63.94542	2.2
67.05509	34.8
69.07047	12.4
70.97054	2.4
71.04989	2.8
71.80238	2.2
72.04502	10.3
78.79699	2.2
79.05495	45.2
81.07058	47.5
81.09749	2.1
81.99825	2.3
83.04972	10.1
83.08601	3.9
85.06519	2.9
86.09684	5.7
91.05483	43.1
91.11819	2.2
93.07034	50.0
95.04951	13.9
95.08577	26.1
97.06487	4.3
105.07030	42.8
107.04947	6.0
107.08574	31.2
109.06535	4.1
109.10168	35.3
117.06999	10.5
119.08579	23.0
121.06471	6.0
121.10114	6.0
123.08053	5.6
123.11679	4.0
125.00008	3.8
129.06993	11.1
131.08556	10.4
133.06459	6.1
133.10120	60.9
134.09677	12.0
135.08052	5.2
135.11644	3.6
137.09615	3.3
143.08585	11.3
145.10143	12.2
147.08095	3.2
147.11658	20.1
149.09650	3.6
151.11194	25.2
156.09309	2.5
159.11649	3.1
161.09602	11.0
161.13289	4.5
171.11681	14.1
184.07333	35.5
189.12750	5.3
253.14345	28.0
273.18515	5.8
281.17441	29.2
291.19534	16.7
347.22049	3.9
365.23279	5.0
390.42700	3.1
477.28494	33.8
553.35358	19.9
571.36285	100.0
589.37183	6.0
728.41711	2.8
750.46936	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	770.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83030	1.5
59.90077	1.7
62.04976	1.4
71.08633	22.4
79.05479	2.4
81.07077	2.4
91.05476	70.0
93.07048	8.5
95.04951	12.1
99.08067	17.4
105.03394	100.0
105.07024	11.5
105.33945	1.7
106.06554	15.8
107.08613	2.4
109.06548	2.5
116.10728	18.3
116.93537	1.7
118.06524	49.0
119.04927	44.4
119.08569	1.8
120.08092	2.5
121.06484	8.1
129.06961	2.1
131.08569	7.9
133.06502	10.5
133.10143	2.3
134.09651	4.1
135.08118	2.8
136.07576	96.3
142.07841	2.1
143.08569	3.6
147.04355	7.4
147.08034	3.5
150.18314	1.8
155.08530	3.5
157.10129	3.4
159.08023	23.9
161.09612	2.2
164.07001	2.0
165.06956	3.7
167.08496	3.7
169.10129	6.9
171.08072	2.8
173.09625	3.3
177.09122	10.8
178.07671	1.9
179.08516	8.0
181.10118	8.6
182.08136	10.2
183.08055	2.8
183.11604	2.3
185.09679	2.6
189.08937	2.3
192.09337	3.3
193.10234	13.3
194.10905	2.8
195.07982	2.4
195.11682	8.0
197.09663	6.4
199.11166	3.6
201.12796	1.9
205.10185	7.5
206.10883	4.2
207.11627	3.5
209.09651	8.7
209.13235	6.7
210.11357	13.4
211.11189	3.9
212.36227	2.0
218.11063	2.1
219.08104	3.2
219.11676	10.3
220.12375	2.7
221.09668	7.3
221.13121	4.3
222.10458	3.4
223.11110	4.2
223.14803	2.8
225.09201	3.7
225.12794	2.4
225.16428	1.8
227.10594	2.1
230.11082	3.7
233.09599	3.9
233.13261	12.9
234.14906	42.3
235.11093	2.1
235.14771	7.0
237.12737	12.1
239.14294	4.2
241.12053	2.1
245.13297	7.1
247.11043	3.0
248.11995	8.2
249.12648	3.8
251.14383	7.1
253.12094	2.5
258.10355	1.8
261.12781	3.0
262.14368	31.9
263.14279	16.9
265.12057	2.1
267.13812	2.4
273.12799	6.9
279.13855	9.4
280.15451	27.8
281.15262	4.2
291.13721	16.9
299.16565	2.1
309.14783	23.4
327.15958	13.4
387.18015	9.2
431.18411	2.0
449.19824	2.8
491.20721	11.6
509.21674	51.5
520.04840	2.0
588.29944	2.7
655.25110	26.5
693.17297	2.1
710.35284	2.5
770.35358	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	770.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05930	2.3
64.35004	2.8
67.05561	2.6
70.04152	3.0
71.08633	22.7
81.03419	3.4
81.07021	3.0
91.05489	57.0
95.04969	6.1
99.08086	6.3
105.03392	100.0
105.07019	19.4
106.06546	29.3
116.10712	20.8
118.06534	28.6
119.04930	38.2
119.08583	3.3
121.06502	3.9
129.07014	3.9
131.08565	9.5
133.06500	14.8
136.07567	42.7
141.06926	3.4
143.08632	3.9
145.06511	4.6
147.04330	3.1
147.07938	3.9
155.08533	4.3
157.10138	3.1
159.08040	26.7
165.07010	4.4
167.08592	3.5
169.10112	5.4
171.08026	5.9
177.09111	2.9
178.07799	3.6
179.08485	3.7
180.09308	3.5
181.10112	11.3
182.08186	20.1
183.11708	4.2
192.09373	5.0
193.10100	19.9
195.08130	5.4
195.11630	6.0
196.08707	2.9
197.09604	4.4
205.10075	3.5
206.10896	12.2
207.11740	2.9
209.09676	6.0
209.13109	4.2
211.11198	5.6
215.08585	5.0
217.10173	3.7
218.11079	4.5
219.11734	4.3
221.09633	5.5
221.13255	10.7
223.11134	5.4
230.10936	4.7
233.09760	3.5
233.13248	13.5
234.10356	3.7
234.14903	17.2
235.11026	4.0
235.14813	4.5
237.12761	11.1
245.13237	4.7
246.10426	5.3
248.11951	10.9
249.12755	6.3
251.14259	5.5
261.12814	3.8
262.14426	6.1
263.14334	12.7
265.12271	6.5
267.13559	3.7
273.12787	5.9
280.15414	38.6
281.15347	12.2
291.13785	20.1
309.14880	29.1
327.15573	5.0
431.18362	4.3
491.20789	12.0
509.21860	12.3
588.29364	5.9
655.25018	39.1
770.35168	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	770.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88961	1.1
68.45199	0.9
72.04498	2.0
91.05475	86.9
93.07016	1.8
103.05441	1.3
105.07011	1.3
106.50350	1.1
107.08582	2.5
107.31158	1.2
119.04932	25.8
119.08553	1.8
121.10139	1.5
133.10135	2.8
134.09647	57.9
143.08524	2.1
145.10056	2.2
147.04395	10.1
155.08513	2.4
157.10121	1.7
159.08142	1.2
164.10683	1.4
169.10010	1.3
171.11484	1.3
181.09998	1.2
183.11581	2.0
193.10188	2.3
195.11646	6.2
204.09383	1.2
206.10866	2.2
207.11674	5.9
209.13234	2.5
210.11237	100.0
219.11685	2.7
220.12471	1.5
221.13289	4.4
231.11693	12.1
233.13225	2.7
235.14784	2.7
237.12881	2.0
237.16344	1.4
246.14006	17.6
251.17894	4.6
252.12231	12.9
261.16367	21.3
263.17889	11.5
279.17374	7.3
530.28729	8.4
590.31213	1.9
650.33044	12.2
710.35541	9.5
770.37134	4.4
785.37848	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	770.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23050	0.8
56.54304	0.8
57.28190	0.9
66.17913	1.0
66.49837	1.0
72.04494	1.8
75.65084	0.9
76.07370	1.0
76.75484	0.9
79.05471	2.2
80.65053	0.9
83.04974	0.9
83.93312	1.0
85.17705	0.8
91.05454	1.7
95.04962	1.5
98.11194	1.1
105.07007	2.1
107.04951	50.8
117.07025	1.4
119.08569	1.7
121.10075	1.4
131.04910	1.7
131.20369	1.0
133.10132	4.4
134.09647	100.0
143.08540	1.2
145.10092	1.0
147.08011	1.9
149.05945	10.9
149.09512	1.0
151.11166	1.4
157.10072	2.1
159.08051	1.5
159.11699	1.2
169.10109	2.2
171.07939	1.1
171.11713	3.9
173.09537	1.5
175.07544	1.5
175.11169	1.2
183.11732	2.0
187.11163	1.8
193.10123	1.2
194.11755	68.1
195.11650	1.4
197.09662	1.1
197.36200	0.9
213.12721	1.1
215.10786	1.2
220.12335	1.1
224.12024	1.2
225.12761	2.3
234.14095	1.8
249.16281	1.3
262.13553	1.2
267.17432	4.9
277.16025	2.2
295.16818	6.7
313.18027	6.0
324.76489	0.9
348.77402	1.1
355.19028	5.5
415.21201	1.4
485.70151	1.1
540.21484	1.0
548.30017	5.1
590.31012	1.5
608.31873	3.6
710.35046	19.5
770.37445	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48171	0.8
58.51799	0.7
78.63569	1.0
79.05513	1.0
84.83909	1.1
91.05477	83.0
92.18497	1.3
93.07046	1.0
95.62942	1.1
97.50385	0.9
103.05451	1.4
105.07046	3.5
107.08559	1.5
119.04943	20.1
119.08562	3.9
121.10125	0.9
125.45562	0.9
128.43529	1.0
131.08548	1.9
133.10112	1.2
134.09654	52.1
141.32640	1.0
143.08563	1.0
145.10106	1.8
147.04407	11.9
147.08104	1.1
157.10138	1.9
159.08038	1.3
161.09621	1.3
164.10622	1.6
165.07062	1.3
171.08054	1.2
171.11606	0.9
179.08604	1.3
180.09337	1.3
183.11694	1.4
193.10252	1.1
194.10959	1.4
195.11671	4.8
204.09254	1.2
205.10175	1.2
206.10915	1.2
207.11668	4.6
209.13228	2.0
210.11238	100.0
219.11684	3.9
220.12483	2.4
221.13213	4.3
231.11717	9.2
232.12474	1.1
233.13292	1.6
234.14098	1.2
235.14899	1.2
237.12613	1.2
237.16371	1.7
246.14046	11.2
251.17952	1.7
252.12248	14.7
261.16360	19.0
263.17932	8.0
279.17426	7.9
297.18576	1.6
406.10571	1.1
530.29028	7.2
590.30756	3.4
608.31329	1.3
650.33197	10.2
710.34979	10.9
770.37109	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	770.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55812	0.6
72.04513	0.7
91.05479	9.6
107.04988	1.0
119.04939	61.0
133.06499	1.6
134.09656	32.2
134.10629	1.5
147.04410	100.0
148.11258	0.7
157.10063	0.7
165.05495	1.4
179.08603	0.8
189.05484	5.9
195.11664	1.3
207.06523	4.0
209.13242	1.2
210.11244	3.9
231.11748	1.0
252.12303	81.5
253.12761	0.8
279.17416	1.0
294.13382	4.8
342.83972	0.8
544.95282	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	770.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85142	0.8
55.32447	0.7
66.37154	0.8
67.05503	0.9
79.05469	1.8
91.05477	53.2
93.07034	1.3
95.08575	1.5
103.05485	1.1
105.07023	4.3
106.31209	0.8
107.04948	7.3
107.08591	1.5
119.04933	52.2
119.08578	5.9
121.06532	1.2
121.10133	2.2
128.06259	0.9
131.04933	1.6
131.08568	3.3
133.10126	4.9
134.09648	100.0
135.08061	1.3
135.10007	6.8
143.08545	4.3
143.40259	1.1
145.10147	1.4
147.04405	76.1
155.08517	2.0
157.10100	2.0
159.08102	1.8
161.09630	1.0
164.10698	1.0
167.08430	1.6
169.10117	1.8
173.09653	1.0
181.10120	2.1
183.11607	1.5
185.09630	1.3
189.05473	4.5
193.10080	1.9
194.11855	6.3
195.11575	6.5
206.10809	1.7
207.06511	1.3
207.11670	3.4
208.12413	1.3
209.13255	3.9
210.11258	59.9
211.11475	1.0
217.10226	1.0
218.10983	1.3
219.11725	1.8
220.12502	1.5
221.13255	1.8
231.11725	3.8
234.13879	1.3
235.14806	0.8
237.12822	3.7
246.14067	5.7
251.17996	4.2
252.12279	75.8
261.16473	9.1
263.18155	1.1
277.15683	1.1
279.17447	7.7
294.13300	3.9
295.16934	1.7
297.18362	4.9
313.17816	1.3
339.19421	3.9
351.77777	1.0
355.18903	1.2
548.30066	3.7
608.31897	7.3
650.32550	3.7
706.42462	1.0
710.35596	7.8
770.36713	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	770.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50198	0.3
67.05513	0.4
72.04510	1.4
79.05495	2.7
80.68613	0.3
81.07043	0.4
83.04993	0.6
91.05478	1.7
93.07031	1.9
95.04968	1.4
95.08587	0.4
101.71819	0.3
103.05489	0.5
105.04452	0.4
105.07023	2.3
105.96749	0.4
107.04947	10.5
107.08587	0.8
109.06472	0.7
109.10168	0.4
111.04369	0.4
115.65382	0.4
117.07021	0.4
119.08582	2.2
121.06509	1.2
121.10143	0.8
122.60812	0.3
123.08103	0.4
128.88434	0.3
131.04900	2.0
131.08531	0.6
133.10115	1.3
134.09647	100.0
135.04411	0.4
135.08043	1.4
137.09557	0.4
139.00050	0.4
143.08583	1.4
145.06552	0.4
145.10130	0.5
147.08087	1.5
149.05969	1.9
149.09628	1.9
155.08492	0.7
157.10144	1.6
159.08043	0.8
159.11687	1.3
161.09605	0.5
163.11214	0.3
166.55011	0.4
167.08557	0.6
169.10132	1.6
171.11699	1.4
173.09625	1.4
177.09142	0.3
177.12737	0.4
177.40735	0.3
179.08476	0.6
181.10143	0.5
183.11647	1.2
185.09669	0.6
185.13181	0.6
187.11171	0.7
189.09154	0.5
193.10170	1.6
194.11771	15.2
195.11713	0.7
196.12503	0.4
197.13266	0.7
199.11107	0.7
201.12741	0.8
206.10933	0.6
207.11650	1.5
209.13268	1.2
211.11215	0.6
211.14926	0.6
219.11745	0.6
219.47868	0.4
220.12421	0.4
221.13190	0.5
223.11227	0.4
223.14706	0.4
225.12648	0.5
234.13988	0.3
235.11078	0.4
236.12778	0.6
237.12740	0.6
239.14305	0.4
244.12498	0.5
249.16483	1.3
251.14319	0.5
253.12395	0.4
257.39352	0.4
267.17535	1.5
277.15842	0.7
295.16895	4.3
297.18387	0.4
313.17975	3.8
337.18112	0.4
355.18951	4.0
373.19980	0.5
397.19901	0.4
415.21054	0.7
439.66534	0.3
548.29938	7.8
566.30792	0.7
608.32397	5.0
650.32489	0.5
668.34363	0.6
699.89032	0.4
710.35199	3.9
770.36963	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	770.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91998	0.6
77.22217	0.7
79.05507	0.8
88.99928	0.9
91.05478	73.3
91.71991	0.7
103.05465	3.0
105.07018	3.3
119.04932	16.2
119.08564	1.2
131.08554	1.3
133.10092	1.1
134.09648	28.6
135.08046	0.9
143.08582	3.0
145.10056	0.9
147.04410	6.9
155.08546	1.5
155.79730	0.7
157.10120	1.2
159.08109	1.1
169.10132	0.8
171.11729	0.9
181.10023	1.2
183.11699	1.5
192.09399	1.2
193.10138	1.6
195.11719	4.6
196.18361	0.8
204.09271	1.1
207.11661	1.5
208.02849	0.8
209.13353	2.6
210.11243	100.0
217.10107	1.0
219.11694	3.1
220.12427	1.1
221.13272	1.6
231.11671	6.7
232.12396	0.9
233.13319	1.0
235.14664	1.2
237.12785	1.7
237.16464	1.1
239.14453	0.9
246.14125	6.0
251.18007	1.9
252.12263	9.7
261.16342	10.3
263.17993	3.9
279.17499	6.9
297.18652	1.2
321.18707	1.5
339.19553	3.1
356.81793	0.8
434.20807	0.9
528.28534	0.9
530.29120	5.7
650.33069	6.2
710.35022	8.0
770.37494	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05521	12.9
57.03435	7.5
62.72821	1.8
67.05173	2.4
67.05508	50.7
69.03425	2.7
69.07081	18.1
71.04959	2.1
73.06564	1.9
79.05495	64.4
81.03420	15.8
81.07058	65.1
81.52827	2.0
83.04969	10.9
83.08646	13.2
91.05480	47.8
92.70291	1.8
93.07040	79.6
95.04969	15.6
95.08608	34.4
97.02894	2.5
97.06537	15.9
97.10160	7.5
105.07027	48.7
107.04950	10.2
107.08603	30.3
109.06506	9.4
109.10175	16.5
109.10805	1.8
111.08054	2.9
117.07030	14.5
119.08562	33.1
121.06464	3.5
121.10143	14.7
123.08051	9.5
123.11723	2.7
129.07001	19.6
131.08556	13.6
133.10115	25.6
134.09608	3.3
135.08063	2.6
135.11696	15.7
137.09634	2.1
141.07036	1.9
143.08582	9.2
145.10091	19.6
147.04454	2.3
147.08063	2.3
147.11685	43.1
149.09610	15.3
149.13246	10.6
155.26895	1.8
157.10123	2.4
159.11679	17.8
160.04495	1.8
161.09576	3.9
161.13174	15.1
163.11189	4.3
169.10002	2.8
171.11668	19.6
173.13264	2.8
185.13379	3.1
189.12720	6.9
207.13863	11.9
229.19777	1.6
252.12292	2.8
255.15849	2.5
257.18936	7.2
269.17419	6.6
275.20117	14.1
281.17456	42.4
349.23700	11.9
461.28940	33.2
475.30505	100.0
515.33752	17.1
555.36761	47.0
573.37793	15.7
600.83820	1.9
619.34369	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	9.7
68.44606	7.1
69.07076	8.3
74.92477	6.5
79.05478	13.2
81.07056	11.6
83.08636	12.2
92.69995	6.6
93.07025	14.7
95.08614	15.5
97.02898	10.1
105.07014	8.5
107.08591	9.2
119.08565	9.7
131.08542	10.3
133.10100	13.3
145.10110	11.7
155.08476	8.7
157.10107	9.7
159.11694	8.3
169.10107	10.8
171.11678	12.3
197.13290	13.7
389.28906	8.8
427.76529	7.8
609.45184	100.0
771.50446	81.1
772.90332	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	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.9
57.03426	2.9
58.21865	1.2
61.02933	14.8
67.05517	16.9
69.03416	5.9
69.07059	8.9
73.02913	8.1
79.05482	11.5
81.03426	2.9
81.07066	18.2
83.08620	7.3
85.02907	12.7
87.09136	1.4
89.97769	1.5
91.03925	7.1
91.05457	8.1
93.07039	16.3
95.08611	20.7
97.02879	10.0
97.06542	1.8
101.02370	1.8
105.07028	9.6
107.08593	13.2
109.02861	1.8
109.10126	8.9
110.59212	1.5
117.07039	2.5
119.08582	9.7
121.10151	7.7
129.07034	2.9
131.08566	11.5
133.10141	9.6
135.11685	6.9
143.08530	8.2
145.10081	11.1
147.11678	6.6
149.13252	2.3
155.08534	6.5
157.10123	10.9
159.11685	7.3
161.13243	3.0
169.10181	10.3
171.11674	14.5
173.13225	6.4
175.14737	1.8
181.10100	6.0
182.07741	1.6
183.11699	11.9
185.13254	10.0
187.14761	2.5
195.11729	6.2
197.13275	8.4
199.14777	3.5
201.16434	2.4
207.11681	2.6
209.13293	6.5
211.14874	6.7
213.16420	2.9
219.12038	1.6
221.13158	1.8
223.14819	3.8
225.16417	3.1
237.16368	2.6
297.22171	2.1
337.25037	1.9
357.06119	1.6
447.32681	1.5
591.43976	6.7
601.22534	1.7
609.45148	100.0
753.48584	2.3
771.50330	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13577	0.7
63.16602	0.7
71.89189	0.7
76.01236	0.9
79.05505	8.1
105.06987	1.5
107.04958	100.0
109.06513	12.6
123.04452	0.9
123.08086	0.9
123.75806	0.8
129.07014	4.0
131.04918	1.6
134.09651	5.0
135.04428	1.2
137.06024	4.1
143.04877	0.9
143.08519	1.6
149.05981	19.0
155.08607	0.9
157.06456	6.1
159.08054	1.6
161.05981	1.7
163.03917	2.0
171.08046	0.9
173.05998	0.8
179.08516	1.2
181.08585	0.9
181.10085	2.0
183.02324	0.9
185.06006	8.2
187.07655	1.3
194.11768	81.6
195.11613	1.3
203.07045	1.2
207.11743	4.0
209.09714	3.8
211.11234	1.0
221.13327	1.4
223.11230	5.0
225.12598	1.2
227.10637	1.0
233.09544	1.3
235.11235	3.9
237.09297	1.5
237.12805	1.3
239.10672	1.4
249.12781	1.8
251.10689	1.8
253.12180	1.4
265.12430	1.5
283.13376	1.0
293.11856	3.2
295.13379	4.2
311.12866	3.7
313.14505	3.8
329.13809	1.2
357.13388	3.4
375.14703	1.3
399.14545	1.3
417.15515	1.6
459.16678	2.0
698.53406	0.9
754.98566	1.0
772.31720	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96382	1.1
60.77210	1.0
61.09797	1.2
62.13290	1.0
62.60630	1.1
79.05496	12.1
80.98430	1.2
85.94960	1.1
91.05490	4.7
91.97282	1.1
107.04956	100.0
109.06529	11.8
119.04941	1.7
129.06978	2.5
130.25920	1.4
131.04889	2.1
134.09688	7.3
137.06021	1.9
143.08598	2.7
145.06523	2.3
149.05984	22.2
157.06522	2.7
159.07970	4.5
161.05992	2.3
163.03925	1.8
167.08656	2.0
171.07985	2.1
181.10143	1.7
185.05983	6.4
185.09607	1.6
187.07471	2.0
194.11755	93.4
199.07565	1.9
199.11159	2.5
207.11752	6.5
209.09698	1.8
210.11369	1.8
211.11266	2.3
223.11214	7.0
225.12686	1.4
239.10901	1.3
249.12759	2.2
251.10634	1.9
295.13354	2.9
311.12958	2.8
313.14529	2.4
399.14709	1.5
417.15384	1.9
456.25986	1.5
459.16415	4.8
595.76385	1.5
670.06909	1.4
670.18182	1.6
693.24530	1.3
772.31708	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65897	9.1
74.24023	9.6
91.05455	10.5
105.07014	35.5
109.06483	12.8
113.05962	8.1
119.04966	12.1
123.04339	9.2
125.05975	61.6
133.06488	53.9
143.08569	18.9
147.04404	45.2
147.08089	10.4
149.13739	8.7
157.10170	11.0
161.09636	31.6
169.10106	10.4
173.09610	11.6
175.07468	39.7
183.11731	14.1
189.05473	59.3
193.10181	13.1
195.11671	16.0
197.08170	9.5
197.13298	13.8
207.11653	18.4
211.11115	11.1
221.13342	17.5
223.11238	42.3
242.39711	8.4
249.12773	35.4
251.10759	10.3
260.93460	8.7
263.14209	33.4
267.13757	16.6
281.15369	34.5
285.14853	13.0
291.13895	18.8
309.14871	100.0
319.51089	8.9
327.15826	74.6
345.16937	13.2
367.19669	9.3
369.16943	73.4
387.17990	47.4
429.19016	18.9
489.21143	51.3
507.22067	9.8
521.62952	10.5
549.23279	43.2
585.66473	9.8
609.13922	10.2
621.61328	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	772.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94610	2.9
55.05519	26.7
55.36735	2.9
56.34121	2.9
57.04521	3.1
62.95467	3.0
64.95499	3.4
79.71107	3.1
83.04985	100.0
87.66116	3.2
93.26080	3.7
95.04943	3.2
100.07610	18.3
105.03413	72.5
105.07031	6.7
121.06476	4.0
121.10116	4.5
130.71605	3.1
131.08572	5.8
133.10162	4.5
138.57748	3.4
143.08583	4.5
144.47427	3.2
149.09583	6.1
159.08029	4.9
161.09615	6.6
171.07983	4.2
171.11732	4.6
181.10150	4.0
193.10112	4.9
195.11668	5.7
196.12556	4.5
197.09523	6.0
211.11191	7.3
218.11731	5.2
220.12437	4.4
221.13220	5.6
223.11403	3.7
237.12706	5.4
246.11322	15.5
263.14349	5.5
264.12253	50.5
281.15274	6.3
299.16251	3.8
309.14789	4.5
327.15833	17.0
365.90485	3.5
447.56616	3.5
509.21661	55.5
549.68854	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	772.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05427	0.6
55.05514	27.8
69.03428	1.0
76.87489	0.8
83.04977	100.0
91.05467	5.7
93.07035	1.5
95.04969	3.8
99.13876	0.9
100.07612	14.4
105.03395	20.3
105.07026	3.1
105.70567	0.7
107.04920	0.9
109.06512	0.9
118.06529	7.8
119.08575	1.5
121.06482	3.1
121.10161	1.0
133.06429	1.7
133.10107	3.1
136.07593	1.3
143.08665	1.1
147.08028	1.8
149.05942	1.1
159.08022	1.9
161.09578	1.3
169.10062	2.6
181.10071	1.7
183.11594	1.2
191.03265	1.0
193.10158	1.1
193.96184	0.8
195.11667	1.7
199.07550	1.0
199.11250	1.7
209.13133	2.7
211.11208	3.7
213.09180	1.0
213.12762	1.2
218.11737	18.6
222.10452	0.9
237.12752	1.2
239.14301	3.0
246.11266	9.6
247.09488	1.6
248.11967	1.1
251.14270	1.0
253.15791	1.4
263.14331	1.0
264.12289	35.2
265.12140	0.9
281.15414	3.6
291.13809	0.9
299.16345	8.5
309.14816	7.1
327.15887	8.8
359.18414	1.3
631.05573	1.0
649.59424	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	772.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	25.7
68.93723	1.3
79.05501	3.0
79.61191	1.2
83.04980	100.0
91.05470	11.9
93.07035	2.7
95.04948	6.1
96.49178	1.1
100.07607	16.7
105.03394	38.5
105.04498	1.4
105.07029	10.8
106.06547	2.8
107.08571	2.5
116.10696	1.9
118.06526	9.1
119.04935	7.7
119.08568	2.8
121.06516	2.5
121.10132	2.3
131.08574	4.9
133.06491	7.2
133.10139	5.4
135.08063	1.7
136.07605	5.5
137.07936	1.5
143.08551	1.9
145.10068	1.9
149.05991	2.5
149.09630	3.0
155.94067	1.4
157.10107	2.1
159.08089	2.8
161.09576	2.1
163.07494	1.2
167.08530	1.7
173.09639	1.7
179.08502	2.4
181.06535	1.3
181.10072	2.4
182.08165	1.3
183.11653	2.6
192.09256	1.8
193.10172	2.8
197.09564	2.5
199.11142	1.3
205.09967	1.6
206.10895	2.1
207.11647	2.0
208.08865	1.5
218.11757	12.2
220.12520	2.2
223.11258	3.0
235.14864	5.1
237.12645	2.1
246.11176	9.8
247.09456	2.1
248.11835	2.4
253.15923	2.5
263.14331	2.9
264.12305	41.1
264.14883	2.6
281.15527	5.2
284.26062	1.4
291.13638	1.4
309.14902	8.1
327.15869	9.9
362.23685	1.2
368.14905	2.9
387.18225	1.7
491.20474	1.7
509.21490	2.5
590.28101	1.4
624.60962	1.4
738.93518	1.4
772.32867	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	772.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.05240	1.1
55.05514	25.6
79.04708	1.0
79.05495	1.9
79.56177	1.1
81.03422	1.2
83.04982	100.0
91.05473	7.9
93.07044	5.4
95.04952	4.2
95.08619	1.3
100.07617	16.2
105.03392	40.1
105.04485	1.9
105.07018	5.8
106.06566	1.5
107.08590	6.7
118.06547	7.3
119.04947	1.5
119.08584	2.0
121.06513	1.9
121.10164	3.9
131.08554	1.7
133.06479	2.6
133.10124	2.0
136.07663	1.6
143.08592	1.1
147.07982	1.2
149.05942	1.6
149.09633	2.3
159.08052	1.9
160.93765	1.2
169.10100	1.2
171.08073	1.4
179.08481	1.5
181.10097	1.6
183.11649	1.9
193.10126	2.5
194.33907	1.1
195.11684	2.1
197.09688	1.8
207.11641	1.7
218.11763	23.7
221.13232	1.5
223.11194	1.7
227.14404	1.2
235.14767	1.8
237.12828	1.5
246.11221	19.6
251.14447	1.5
257.60718	1.3
263.14362	1.7
264.12259	33.8
281.15295	2.1
299.16519	1.4
309.14798	5.6
327.15921	10.8
336.36063	1.2
361.17236	1.0
369.16675	1.3
444.70633	1.3
509.21701	2.5
572.26611	1.4
772.32520	2.0
781.50531	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	772.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04171	0.7
56.71907	0.8
77.03919	0.8
91.05480	0.9
92.17812	0.7
95.04973	8.5
105.03394	100.0
105.04516	5.0
105.07044	4.2
109.06517	0.8
143.08549	1.1
169.10081	1.1
181.10112	1.5
199.11113	8.3
207.11578	0.9
211.11211	5.0
223.11153	1.7
225.12749	4.7
227.10698	4.8
253.12207	5.0
265.15723	1.3
293.15323	1.2
311.16431	1.0
355.91220	0.9
375.15817	16.6
415.18829	1.3
428.05075	0.8
433.20313	1.2
435.18002	4.6
537.22858	1.2
659.26294	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	772.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93103	0.8
71.04976	0.8
71.58471	0.7
76.28949	0.7
77.03920	0.8
79.05477	0.8
81.07047	0.9
83.98284	0.7
86.83603	0.7
91.05479	3.1
93.07032	3.9
95.04963	12.1
95.08604	1.1
97.06518	1.4
105.03394	100.0
105.04517	4.7
105.07011	4.8
107.08556	2.8
116.10634	0.7
119.08569	3.1
119.76853	0.9
121.06504	5.2
123.08098	0.8
129.07065	1.0
131.08517	3.2
133.06448	1.6
135.08049	3.4
142.45267	0.8
143.08574	4.5
145.10115	3.5
147.08069	1.5
149.05956	1.0
149.09541	1.5
151.07510	1.1
154.07715	1.0
155.08594	1.4
157.10156	3.9
159.08090	5.8
161.09622	4.5
163.11223	0.9
167.08578	1.0
169.10092	4.6
171.08067	3.4
171.11699	1.6
173.09634	6.1
179.08485	1.5
181.10080	5.5
182.10872	1.5
183.11688	3.8
185.09636	1.6
192.09438	1.3
193.10199	1.5
195.11746	6.1
196.08846	0.9
197.09642	3.3
197.13234	2.8
199.11205	11.2
207.11647	5.3
208.12546	1.0
209.09628	4.0
209.13275	1.5
210.10406	1.1
211.11169	4.0
211.14880	1.1
213.09029	0.8
213.12723	3.2
221.13248	1.7
223.11203	4.5
223.14781	1.2
224.11957	1.2
225.12732	6.6
227.10641	8.7
235.11133	1.4
237.12793	1.2
237.16357	3.0
239.14333	3.0
241.12209	1.2
247.14745	1.6
249.12660	0.8
250.13522	1.1
251.14311	3.0
253.12256	7.2
263.14307	0.8
265.15906	4.1
267.13828	0.9
269.15405	0.9
271.13226	11.8
273.11191	0.9
275.14240	1.0
281.15326	1.0
283.17093	4.0
293.15320	7.2
311.16409	11.9
329.17520	3.1
331.15326	11.4
375.15823	0.8
403.19055	1.2
433.20126	7.7
493.22003	3.2
555.15973	1.1
555.23907	4.7
615.25208	0.9
617.82086	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	772.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05394	0.6
61.61272	0.6
79.05469	2.4
81.07072	1.2
91.05479	18.3
93.07010	2.2
95.04979	1.3
100.46841	0.6
103.05454	1.2
105.07030	10.5
107.04938	5.8
107.08589	2.3
109.06541	1.1
109.10146	0.8
115.05450	0.9
117.07010	1.1
119.04934	3.5
119.08592	4.7
120.08098	100.0
121.06509	1.0
121.10124	2.3
123.08060	0.9
129.06966	0.7
131.04948	4.7
131.08592	2.4
133.06511	3.2
133.10127	4.4
134.09615	1.3
135.08105	1.5
142.03081	0.6
143.08585	2.4
145.10162	1.5
147.04451	2.5
147.08034	3.8
147.11697	0.6
149.05952	2.9
149.09587	2.8
151.07607	0.9
155.08612	0.7
157.10138	1.5
159.08031	1.3
159.22751	0.6
160.08914	0.6
161.06050	0.7
161.09639	1.3
163.43893	0.6
167.08611	0.9
169.10165	1.4
171.08012	1.0
171.11598	1.1
173.09607	1.3
175.07520	1.4
180.10213	4.7
181.10075	2.7
183.11682	1.3
185.09534	1.0
187.11156	0.9
193.10144	1.2
195.11700	1.5
196.09694	15.0
197.13272	2.6
199.11072	1.5
207.11668	1.4
209.09576	0.7
209.13152	1.1
211.11238	2.6
211.14861	1.1
213.12669	1.2
218.11006	0.7
219.11777	0.8
220.12489	0.9
221.13303	1.0
223.11200	1.3
223.14972	0.8
225.12662	0.7
233.13316	0.8
234.13951	0.9
235.11209	0.9
237.12865	1.4
237.16409	1.1
238.10738	2.6
238.13200	0.7
239.18068	0.7
247.14818	1.0
249.16382	1.2
251.14317	1.4
253.12128	1.1
262.13470	1.2
265.15884	1.1
267.17432	3.3
277.15692	4.9
293.15421	2.5
295.16888	9.6
311.16241	1.2
313.18030	4.6
337.18137	1.3
355.19016	4.6
379.99203	0.6
413.19400	1.4
415.21225	0.8
431.20551	0.8
455.10583	0.6
473.21848	1.1
550.28101	4.7
577.17480	0.7
592.29041	1.5
610.29999	3.8
615.54736	0.7
652.31427	8.0
670.31842	0.9
712.33118	14.6
772.35730	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	772.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86298	0.8
54.21249	0.7
65.33420	0.9
68.63120	0.9
69.03410	1.0
79.05486	5.4
83.04935	1.0
91.05453	3.7
92.18386	1.1
93.07014	1.8
95.04947	1.7
95.08592	1.3
103.05463	4.5
105.07021	27.0
107.04945	24.3
107.08599	2.0
109.10130	2.0
117.07005	1.6
117.76984	1.1
119.04942	1.0
119.08572	4.7
120.08098	100.0
121.06483	4.1
121.10124	4.9
123.08018	1.0
129.07001	1.6
131.04904	16.2
131.08531	2.2
133.06482	6.2
133.10097	4.6
135.08060	4.1
137.09639	1.2
143.08546	1.5
145.06451	1.7
145.10132	1.8
147.08014	1.5
149.05975	6.1
149.09613	4.5
151.07565	1.7
154.29759	0.9
155.08553	1.9
157.10103	3.5
159.08044	6.2
159.11652	1.4
161.05943	1.3
161.09593	5.6
162.09148	4.5
163.07564	1.5
163.11142	1.1
169.10127	1.6
171.07977	1.9
171.11681	1.7
173.09534	1.6
179.08572	1.2
180.09071	0.9
180.10217	18.0
181.10156	3.5
183.08093	1.2
183.11673	1.4
185.09700	2.1
187.11206	1.3
192.09256	1.1
193.10103	1.9
194.10855	1.3
195.11642	4.1
197.13254	1.1
199.11168	1.1
201.09056	1.1
206.10921	2.3
207.11708	4.0
209.09586	1.8
209.13246	1.8
211.11220	2.3
217.10190	1.1
219.11714	1.5
221.13263	3.5
222.14017	1.3
223.11148	6.7
224.69022	1.0
225.12732	1.9
232.12471	6.5
233.13223	1.6
235.11165	2.2
235.14787	1.6
236.11955	1.6
237.12723	1.3
237.16348	1.4
239.14265	1.3
247.14812	4.5
249.12750	1.0
250.13490	1.5
251.14287	2.2
253.12206	1.3
260.12006	1.2
263.14420	1.7
265.15936	6.6
267.13672	1.2
275.14337	4.0
281.15292	4.2
293.15353	10.3
311.16467	5.2
353.17438	1.9
371.18661	1.5
413.19608	4.0
471.66852	1.1
473.21793	1.5
593.24976	1.2
615.07434	1.1
652.21484	1.4
652.31305	28.4
712.33252	30.0
772.35492	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	772.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30953	0.8
67.05539	1.3
72.04506	6.5
79.05474	4.7
88.07619	2.4
91.05470	4.1
95.04975	2.0
95.08587	1.6
95.65755	1.0
103.05458	10.9
105.07027	6.9
107.04945	28.6
107.08590	2.3
109.10187	1.2
119.08546	5.1
121.10119	2.4
123.08070	1.8
131.04922	38.3
131.08546	2.8
133.06480	1.4
133.10136	2.7
134.09651	100.0
135.08025	4.4
143.08495	1.6
145.10078	2.1
147.08005	1.2
147.11723	2.2
149.05959	7.5
155.08511	1.5
157.10112	1.5
159.08046	1.4
161.09657	2.0
169.10094	1.5
171.11685	2.3
181.10104	2.0
183.11787	1.7
187.11227	1.3
194.11780	32.2
195.11705	5.5
207.11668	2.5
208.12431	1.7
209.13234	2.4
213.12794	1.6
221.13249	2.4
236.12769	1.9
246.14043	1.9
251.17892	1.8
261.16190	1.6
264.14920	1.3
279.17395	4.6
297.18671	1.5
412.93741	1.4
592.32721	2.2
652.35016	8.0
712.36737	48.0
730.39484	1.5
772.38800	51.7
779.79608	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	772.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
69.07084	1.4
72.04517	9.5
74.92222	1.1
79.05486	6.2
91.05471	7.2
93.07036	3.1
103.05473	12.0
105.07040	5.7
107.04951	47.7
107.08556	1.8
109.06504	1.5
119.08540	2.8
120.08105	7.4
131.04929	55.1
131.08511	1.8
133.10136	4.8
134.09650	99.5
135.08102	2.7
135.09962	2.0
140.57443	1.4
143.08537	2.7
144.28539	1.3
145.10141	6.1
149.05978	11.9
149.09526	1.8
155.08542	2.5
157.10126	2.8
159.11685	2.4
161.09589	1.8
169.10071	5.9
171.11626	2.8
180.09258	1.4
181.10150	2.8
185.13136	1.5
194.11798	43.4
195.11826	8.9
197.13203	1.4
199.11188	2.9
209.13304	7.2
211.11160	1.8
219.11699	1.6
231.11710	1.7
235.14824	2.7
236.12856	2.9
237.12596	2.4
246.14133	2.1
250.04948	1.3
261.16431	2.9
279.17477	4.9
297.18420	2.0
652.34961	2.1
712.37195	13.5
772.38885	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	772.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25212	0.7
67.05501	1.1
72.04501	10.1
79.05479	4.6
88.07633	1.5
91.05482	3.5
93.07023	2.0
95.04971	1.8
95.08578	1.2
95.63008	0.7
103.05465	10.3
105.07003	6.7
107.04948	28.2
107.08576	3.8
109.06522	0.8
119.08580	5.6
121.06520	0.9
121.10146	4.2
123.08082	1.3
123.98205	1.0
129.06972	1.3
131.04916	42.8
131.05890	1.7
131.08553	3.7
131.44855	0.7
133.10115	3.5
134.09645	100.0
135.08043	3.1
137.09654	1.2
141.06998	0.9
142.07704	0.7
143.08522	5.9
145.10127	5.3
147.08070	1.9
147.11708	0.9
149.05989	7.0
149.09630	1.1
155.08577	1.8
157.10175	3.6
159.08035	1.9
161.09669	1.1
167.08585	1.6
169.10161	3.9
179.08519	1.6
181.10150	2.9
183.11722	1.9
185.09641	0.8
185.13109	1.0
188.26527	0.7
194.11790	38.4
195.11717	5.3
197.09586	1.1
197.13391	0.9
205.10214	1.1
206.10866	1.3
207.11731	3.5
208.12434	1.5
209.13272	4.9
211.14819	1.4
219.11751	3.6
221.13306	3.1
223.14828	1.0
229.49399	0.8
231.11693	3.3
234.28845	1.0
235.14784	0.9
236.12737	1.6
237.12856	1.2
237.16255	0.9
246.14154	4.3
251.17897	1.3
261.16354	3.2
279.17520	4.8
363.67929	0.9
592.32416	1.4
652.34766	14.4
670.36121	1.1
712.36969	22.3
772.38965	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77781	0.9
67.05492	1.3
67.30176	0.9
69.25105	0.8
69.36053	0.8
72.04501	6.6
79.05495	3.7
88.07621	2.1
91.05461	4.1
93.07056	1.5
95.04948	1.4
101.08270	1.0
103.05464	10.3
105.07034	5.8
106.58612	1.0
107.04943	24.6
107.08578	4.1
117.06972	1.8
119.08544	4.2
120.08047	1.4
121.06506	1.0
121.10172	1.5
123.08025	2.0
131.03954	2.0
131.04912	39.1
131.08543	4.1
133.10143	2.0
134.09644	100.0
135.08005	2.3
143.08530	4.1
145.10153	5.4
147.08026	1.5
149.05986	6.4
157.10132	4.0
161.09612	1.7
163.20522	1.0
167.08556	1.3
169.10014	1.3
171.08148	1.6
171.11668	1.7
175.11037	1.4
181.10078	2.3
183.11708	1.6
194.11758	29.6
195.11659	1.9
197.13226	1.5
207.11633	1.5
209.13213	5.3
211.14905	1.4
213.12611	1.5
236.12782	2.0
246.13980	1.5
261.16339	4.3
269.19025	1.6
279.17386	5.5
388.11545	1.0
411.47397	1.2
592.32709	1.4
607.38757	1.2
652.34436	5.2
712.36810	39.8
772.25708	2.1
772.38873	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2131
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03423	0.7
63.23722	0.3
67.99036	0.3
69.03431	0.5
71.04993	7.6
81.03436	0.5
83.10528	0.3
85.02908	11.1
87.04469	0.4
97.02881	1.3
127.03885	0.5
129.05505	1.2
162.65111	0.3
303.04965	100.0
345.05966	0.4
454.71793	0.4
465.10281	33.4
611.16278	0.3
627.15363	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	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67995	4.4
65.19527	4.2
68.62879	4.6
79.05444	4.3
79.67769	4.4
89.00783	4.5
89.29665	4.2
93.07061	4.8
130.51057	5.2
147.11736	5.5
193.37238	4.4
202.71228	4.7
206.30876	4.8
207.65891	4.9
331.27649	4.7
356.77341	5.1
363.90384	5.2
773.40668	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	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.03436	1.4
61.02931	1.5
67.05495	2.7
69.03424	1.7
71.75138	1.1
78.34203	1.0
79.02235	1.1
79.05502	4.1
80.24074	1.0
81.03420	2.4
81.07053	5.4
81.07485	1.1
83.04980	2.6
85.02913	4.2
89.66109	1.3
91.03951	1.8
91.05448	2.1
93.07035	5.5
95.04951	4.4
95.08570	1.3
97.02938	1.6
101.02332	1.3
105.07024	5.8
107.08582	1.7
109.06531	5.9
113.05991	8.0
119.08550	1.3
131.08517	1.4
135.08046	2.1
143.08501	1.6
145.10139	1.6
147.11697	2.6
171.11664	1.5
171.52901	1.0
235.53482	1.2
243.08444	2.7
246.11429	1.9
309.14752	1.5
331.18707	8.1
370.17142	1.2
465.20834	20.2
549.26819	11.3
549.34052	1.4
773.40698	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	773.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06901	2.3
60.50616	2.5
61.02907	3.9
65.47073	2.6
73.02914	3.1
93.07017	2.8
95.08627	3.2
116.58619	2.7
119.28628	2.7
120.40575	2.6
127.03898	2.9
154.47609	2.9
225.48810	2.8
407.13605	3.2
465.21014	3.7
773.40747	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	774.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68517	0.9
69.37974	0.9
87.79607	1.0
89.82471	1.0
91.05479	90.8
95.04939	1.0
103.05446	5.4
109.06556	2.0
113.06030	1.6
119.04938	16.4
123.04401	2.2
131.04944	6.3
133.06474	1.8
134.09654	25.1
143.08551	1.7
145.06435	1.7
147.04404	2.1
155.08507	1.8
165.05540	1.2
165.06964	1.7
169.06566	1.3
169.10167	1.5
171.08018	1.4
173.09663	1.2
181.10071	3.3
183.08107	1.8
183.11653	1.3
193.10156	1.7
195.11707	1.5
207.11671	1.7
209.09706	4.1
209.13242	1.8
210.11238	100.0
211.11290	2.1
221.09790	1.4
221.13193	1.9
222.10480	1.4
223.11235	1.5
225.12813	1.7
231.99638	1.2
235.11057	1.2
237.12805	2.0
253.12318	1.8
265.12402	1.5
267.13687	2.3
279.13797	1.6
295.13403	6.5
313.14514	1.8
325.14487	1.7
344.95886	1.0
355.15363	1.3
551.09198	1.3
707.01300	1.1
714.31500	1.5
774.33234	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86655	0.7
91.05477	100.0
95.04894	0.8
103.05442	3.6
105.07045	1.2
109.06493	1.5
113.06000	3.6
117.07008	0.8
119.04942	20.2
123.04424	3.3
125.05992	1.1
129.06992	0.9
131.08536	1.0
134.09641	25.7
137.05986	0.9
143.08546	0.9
147.04346	1.4
147.08035	1.3
155.08513	1.7
165.05415	0.9
181.10097	1.2
183.08119	0.9
183.11600	0.8
185.09726	1.3
193.10129	1.7
195.08099	0.8
195.11665	1.5
207.11789	1.4
209.09802	0.9
209.13133	0.8
210.11238	98.6
211.11118	1.3
219.11578	1.1
223.11188	1.1
235.11136	1.1
237.12756	1.8
253.12201	1.0
265.12329	2.8
279.13910	1.1
325.14240	1.6
385.16516	0.8
482.05341	0.8
505.20569	1.0
565.22253	1.7
641.15118	0.8
707.32666	1.1
774.33203	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12146	1.0
56.97494	1.1
58.71168	1.1
91.05476	89.7
97.65824	1.2
97.77754	1.3
103.05462	4.7
105.07026	2.1
109.06493	2.1
113.05978	2.2
117.07030	2.0
118.24719	1.2
119.04933	21.2
125.05995	1.6
128.44945	1.2
131.08565	1.9
134.09653	24.2
145.06532	1.8
155.08592	2.2
169.10121	1.5
171.07962	1.5
181.10107	2.5
193.10164	2.9
199.11269	1.7
207.11717	2.2
210.11246	100.0
211.11206	2.6
219.11668	1.6
219.52702	1.3
223.11076	2.3
235.11287	2.1
237.12762	1.8
253.12206	1.7
258.25394	1.5
265.12244	1.7
295.13190	8.5
313.14288	1.6
325.14413	1.5
640.09644	1.3
766.62628	1.3
774.33160	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65672	0.2
65.03931	0.4
76.44116	0.2
79.05501	0.4
91.05478	87.9
92.18521	0.5
93.07043	0.3
95.04973	0.5
97.06544	0.3
103.05453	3.4
105.07023	1.1
107.04948	0.3
109.06538	1.1
113.06054	1.0
113.52860	0.3
117.07019	0.5
119.04939	16.5
119.08549	0.4
121.06512	1.1
123.04407	0.6
123.08061	0.4
125.06034	0.5
129.06987	0.3
131.08562	0.6
133.06439	0.3
134.09651	20.5
135.08011	0.4
137.06004	0.5
139.07538	0.6
143.08562	1.2
145.06500	0.9
145.10167	0.4
147.04405	1.1
147.08044	1.0
149.05994	0.3
155.08582	1.5
157.06512	0.3
157.10126	0.9
159.08127	0.9
163.07524	0.5
164.10751	0.5
165.05484	1.1
167.08618	1.0
169.10106	0.3
171.08017	1.0
179.08586	0.5
181.10152	1.2
183.08096	0.4
183.11678	0.5
185.09555	0.5
187.07503	0.3
193.10152	0.5
195.11748	0.6
197.09650	1.2
205.10143	0.3
207.11711	0.9
208.12529	0.3
209.09641	1.0
209.13315	1.3
210.11241	100.0
211.11221	0.5
218.10936	0.2
219.11723	0.5
221.09650	0.5
222.10350	0.3
223.11229	1.1
223.14810	0.4
225.12709	0.4
233.13229	0.4
235.11208	0.6
237.12813	1.3
251.14380	0.4
252.12334	2.3
253.12373	0.3
261.12827	0.4
265.12186	0.4
279.13858	0.6
297.14981	0.5
325.14456	0.6
403.17523	0.4
433.57938	0.3
774.33246	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23953	0.6
68.03218	0.6
69.03416	0.6
70.08276	0.6
75.45606	1.0
78.86038	0.8
87.06448	0.7
91.05479	100.0
97.06567	0.8
103.05483	3.6
107.04982	0.9
109.06531	3.5
113.06020	3.6
119.04934	21.5
121.06491	1.0
123.04441	3.3
129.07074	1.7
134.09654	21.7
143.08588	0.9
145.06500	1.3
155.08681	0.8
159.08101	1.0
167.08623	0.8
169.10120	0.9
171.08115	1.4
181.10107	1.6
189.86783	0.7
193.10159	1.6
195.11732	1.4
195.40425	0.7
198.90694	0.7
199.07635	0.7
201.09128	0.8
207.11713	0.8
208.05693	0.6
209.09579	1.0
209.13347	2.8
210.11243	91.7
211.11250	1.0
223.11339	0.9
237.12743	0.9
247.11284	1.1
252.12190	0.7
279.13809	1.2
322.06622	0.8
325.14383	1.6
343.15280	1.2
445.18845	1.1
446.77722	0.7
565.22858	0.8
774.33282	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61100	5.2
63.45559	5.1
66.00382	4.9
79.05513	7.1
91.05519	8.9
93.07066	8.0
102.21067	6.6
103.05409	21.4
105.07038	7.0
119.08540	11.0
131.04929	100.0
133.10121	8.8
181.09981	6.9
193.10208	21.3
195.11707	11.5
206.10887	36.5
209.13475	6.7
211.11209	6.1
221.13272	60.3
237.16415	9.6
239.14264	44.1
279.17429	51.1
281.15317	8.9
297.18546	11.2
321.18430	9.1
339.19547	26.1
399.21805	29.6
429.20456	6.9
459.16675	6.3
487.24582	11.9
489.23056	9.4
534.27991	7.0
547.26135	11.0
577.37012	5.9
591.42688	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	774.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78085	1.3
56.57096	1.1
57.84502	1.2
58.90152	1.2
59.04983	1.5
69.96531	1.3
75.06008	1.3
79.05507	3.5
82.71359	1.5
91.05464	2.1
92.18561	1.7
93.07027	3.1
100.14291	1.5
105.03419	1.9
105.07056	2.7
107.04954	99.7
119.08524	1.8
131.08565	6.7
133.78769	1.6
134.09666	34.9
143.08583	6.5
149.05977	20.3
155.08604	3.5
160.18336	1.6
167.08545	1.5
169.10130	5.6
179.08604	12.7
180.09377	1.6
181.10101	6.4
183.11676	5.8
191.08553	3.1
192.09354	1.6
193.10121	11.8
194.11774	70.9
195.11711	3.6
205.10124	1.8
206.10880	17.2
208.12552	1.8
211.14790	11.0
221.13249	37.7
223.14886	6.0
226.06148	1.5
239.14314	13.9
299.16589	8.2
474.26428	18.2
534.28479	100.0
592.58484	1.6
656.32306	40.4
714.35919	10.5
761.35327	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	774.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24475	1.9
69.85608	1.8
77.00203	1.8
78.04018	1.8
78.07351	1.7
78.07890	2.1
79.05478	8.8
80.87864	2.1
91.05508	2.5
93.07027	3.5
94.31571	2.0
100.70646	2.2
105.03391	2.8
105.06998	3.2
107.04955	100.0
127.47437	1.8
128.55400	2.4
129.06969	3.2
131.08531	10.5
134.09659	42.0
143.08530	3.4
149.05974	27.6
179.08505	9.4
181.10175	9.6
183.11655	4.9
191.08566	2.6
192.09344	3.9
193.10127	4.1
194.11789	67.4
195.11714	8.2
205.10172	2.6
206.10875	20.2
211.14809	12.5
221.13263	30.7
223.14882	4.7
239.14330	15.0
299.16534	3.2
350.89606	2.1
431.48273	2.1
474.26385	14.5
534.20880	3.7
534.28497	83.0
565.83844	2.3
595.52350	2.3
656.32214	31.1
696.35193	2.8
714.35962	11.2
740.45447	2.3
774.38855	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	774.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.2
69.05813	1.0
71.87599	1.2
73.85922	0.9
79.05487	8.7
79.35527	0.9
82.20863	0.9
84.51003	1.0
91.05492	2.5
92.18611	1.1
93.07030	4.0
105.03382	4.3
105.07050	2.0
107.04955	100.0
119.08590	0.9
121.23170	1.0
129.07024	1.7
131.04897	1.0
131.08560	5.1
133.06413	1.1
134.09654	33.4
141.63458	0.9
143.08522	2.6
147.08046	4.6
149.05986	18.5
155.08577	1.6
165.07010	2.4
167.08574	3.9
169.10156	4.9
179.08591	7.0
179.61436	1.2
180.09370	1.9
181.10074	4.5
183.11681	9.7
191.08604	4.6
192.09352	2.2
193.10199	8.2
194.11787	58.1
194.13585	2.1
195.11705	4.7
201.35374	1.1
206.10901	16.9
208.12418	1.3
211.11279	1.0
211.14801	9.3
219.11858	1.2
221.13220	28.0
221.15202	1.4
222.13962	1.4
223.14792	5.7
239.14297	13.0
279.17349	1.4
281.15424	1.1
299.16403	2.5
341.17578	2.2
410.34088	1.2
474.26422	15.7
492.27408	2.1
534.28436	84.6
656.32080	33.1
696.34949	1.2
714.36743	8.2
774.38129	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	775.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96338	3.0
63.10326	2.8
67.05499	4.4
81.07074	6.6
87.05375	3.0
92.18443	5.6
93.07058	6.4
95.04958	4.0
100.98743	2.8
103.77238	3.2
105.07011	3.7
107.04909	4.1
243.08498	3.6
245.14786	3.7
465.21008	13.7
491.43716	3.8
775.42285	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.66687	0.6
57.03426	0.9
61.02917	3.5
65.01327	0.5
67.05496	4.3
69.03429	2.3
69.07069	1.3
73.02899	1.3
79.05495	5.9
81.03407	1.2
81.07054	3.8
83.04968	1.0
83.08604	0.6
85.02895	4.2
91.03944	2.8
91.05459	3.6
93.07046	6.0
95.04955	1.4
95.08610	3.1
97.02892	3.0
101.02358	1.2
105.07028	4.8
107.04947	3.0
107.08606	2.4
109.02936	0.6
115.03941	0.7
117.06956	0.7
119.08578	2.6
121.10104	1.0
123.08072	0.7
127.03883	1.2
133.10143	2.7
134.09682	0.8
135.08031	0.7
135.11684	0.8
135.54947	0.7
145.10106	1.0
147.11693	3.9
150.18338	0.5
171.11691	3.3
185.04346	0.7
194.11795	1.4
203.05424	0.8
222.13588	0.7
229.78098	0.6
243.08389	4.9
247.13048	1.3
322.03931	0.6
333.20477	3.1
389.23053	0.8
439.19861	0.6
453.20514	0.7
465.21066	17.3
473.38974	0.6
474.82080	0.5
535.29010	1.4
551.28326	6.0
695.37610	0.7
775.42346	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	776.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58351	0.4
62.48442	0.5
63.10359	0.5
65.03912	0.5
69.03414	0.6
77.03941	0.6
79.05500	3.7
81.03407	1.3
81.07078	0.7
85.17728	0.5
91.05473	9.0
93.07042	0.9
95.04972	6.8
95.08585	0.8
105.03397	100.0
105.04528	3.1
105.07039	5.2
107.04948	0.7
118.06534	6.9
119.04942	9.9
121.06477	2.6
122.06024	19.8
123.08047	0.7
127.23354	0.5
129.06966	1.3
131.08545	3.3
133.06511	4.0
133.30038	0.6
135.07986	0.6
141.06989	0.9
143.08601	2.7
145.06442	0.7
145.10159	0.7
147.04393	1.0
147.08066	0.7
149.05923	0.8
149.89417	0.5
155.08562	2.1
159.08063	7.5
161.09625	0.6
165.06966	0.9
167.08557	2.0
169.06398	0.8
169.10121	1.2
171.08009	1.0
173.09680	1.2
177.09114	3.3
179.08568	3.3
180.09468	0.6
181.06546	0.5
181.10100	3.5
183.08142	0.8
183.11711	1.2
184.08669	0.6
185.09558	0.6
187.70287	0.5
191.08536	0.7
192.09383	0.9
193.10175	5.2
194.10945	2.0
195.08041	1.1
195.11702	2.5
196.08873	0.7
197.09673	2.5
197.13239	0.7
197.88670	0.5
199.11200	0.8
205.10124	2.4
206.10951	3.0
207.11705	2.4
208.08942	0.9
209.09589	3.1
209.13303	2.6
210.08987	0.8
211.11218	2.3
213.12839	0.8
215.08548	0.7
218.10950	2.8
219.08177	0.8
219.11708	2.4
220.08841	0.7
220.12419	2.2
221.09657	2.2
221.13315	2.6
222.10493	1.2
223.11124	4.0
223.14813	1.0
225.09068	0.5
225.12860	0.7
227.14398	0.6
230.10921	2.6
232.08775	0.6
233.09633	3.1
233.13251	3.4
234.10468	0.9
235.11244	1.3
235.14778	2.2
237.12790	4.7
239.10538	0.9
239.14261	0.9
240.10109	6.9
245.13240	3.0
246.10371	0.8
247.11151	2.0
248.11926	3.4
249.09355	0.6
249.12691	2.2
251.06923	0.6
251.14351	1.0
255.13898	0.7
261.12521	0.9
263.14322	5.9
265.12280	1.2
267.13840	2.0
268.09607	5.2
273.12762	2.2
276.11542	0.8
279.13828	2.6
281.15366	2.5
286.10754	15.5
291.13754	6.4
309.14850	11.6
327.15952	2.6
351.15747	0.9
369.17123	1.1
387.18454	0.7
431.18454	1.3
449.19345	0.8
491.20764	5.2
509.21558	4.7
594.24670	0.9
623.26422	0.6
655.25482	8.7
661.10321	0.6
701.14832	0.7
776.30450	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	776.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22744	0.6
54.55112	0.5
60.59593	0.5
61.05037	0.7
72.04494	0.7
79.05506	0.7
83.71045	0.6
86.77923	0.7
87.38721	0.6
91.05476	100.0
103.05461	3.4
105.07025	0.7
107.04953	2.7
119.04941	19.3
119.08565	0.8
121.06517	0.7
132.20366	0.6
133.10167	0.8
134.08647	0.9
134.09650	27.8
143.08574	1.2
152.39391	0.7
157.10149	0.9
161.09633	1.0
164.10681	2.5
165.05495	1.3
167.08479	0.7
169.10121	1.6
171.11862	0.8
185.09619	1.0
194.11807	3.2
195.11699	1.2
196.09012	0.7
197.13292	1.4
207.11749	0.9
209.09691	0.7
210.11240	77.1
211.14752	0.9
221.13290	1.3
225.12735	2.9
239.14227	1.0
243.13785	0.8
327.16089	0.9
377.99289	0.6
407.85019	0.7
435.48819	0.7
439.58777	0.7
566.01184	0.7
776.34766	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97580	1.3
66.84802	1.3
91.05482	58.9
92.05849	1.5
92.17862	2.9
94.36555	1.4
97.06512	1.3
103.05495	3.5
105.01350	1.5
105.07015	3.0
107.04909	2.4
109.06566	2.1
119.04927	11.5
119.08616	2.4
121.06516	1.5
131.04930	14.4
131.08582	2.0
133.06485	2.6
134.09647	23.5
135.08032	1.7
137.05983	1.6
143.08574	2.2
147.04414	1.6
149.09554	1.5
150.12579	1.4
155.08598	3.3
157.10100	3.2
159.08086	3.3
169.10097	3.0
171.07983	1.8
185.09665	1.8
195.11726	2.6
197.09767	2.6
197.13327	1.9
206.76247	1.4
207.07957	1.7
207.11734	1.5
209.13365	2.3
210.11270	50.2
211.11310	5.0
211.14851	2.3
215.10638	1.4
221.13341	2.0
225.12766	2.2
227.10663	1.5
237.12849	2.2
239.14334	6.3
249.12817	2.0
267.13876	5.2
281.15475	1.6
327.15771	2.1
447.19916	1.5
540.60901	1.5
702.70190	1.5
776.34863	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	776.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22744	0.6
54.55112	0.5
60.59593	0.5
61.05037	0.7
72.04494	0.7
79.05506	0.7
83.71045	0.6
86.77923	0.7
87.38721	0.6
91.05476	100.0
103.05461	3.4
105.07025	0.7
107.04953	2.7
119.04941	19.3
119.08565	0.8
121.06517	0.7
132.20366	0.6
133.10167	0.8
134.08647	0.9
134.09650	27.8
143.08574	1.2
152.39391	0.7
157.10149	0.9
161.09633	1.0
164.10681	2.5
165.05495	1.3
167.08479	0.7
169.10121	1.6
171.11862	0.8
185.09619	1.0
194.11807	3.2
195.11699	1.2
196.09012	0.7
197.13292	1.4
207.11749	0.9
209.09691	0.7
210.11240	77.1
211.14752	0.9
221.13290	1.3
225.12735	2.9
239.14227	1.0
243.13785	0.8
327.16089	0.9
377.99289	0.6
407.85019	0.7
435.48819	0.7
439.58777	0.7
566.01184	0.7
776.34766	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96455	1.2
58.20913	1.3
58.78891	1.0
58.91953	1.1
61.14957	1.2
61.76067	1.0
61.86412	1.2
70.47486	1.2
84.66743	1.2
91.05479	44.9
95.04961	2.3
107.04961	5.3
109.06553	1.6
119.04937	7.9
126.96712	1.2
131.04959	6.3
131.08575	1.9
133.06488	1.9
133.10149	1.4
134.09656	24.6
143.08565	4.8
145.06406	1.6
145.10173	2.2
147.08058	1.8
149.06004	1.5
151.07532	1.5
155.08551	2.8
157.10123	3.0
159.08017	3.0
167.08565	1.5
169.10141	2.6
171.08061	1.7
171.11671	2.1
173.01500	1.2
173.09636	1.7
175.07640	1.8
183.08139	2.1
185.09663	7.7
186.89772	1.6
189.09042	1.7
195.11711	2.2
197.09618	2.9
197.13297	2.0
199.07610	2.1
201.09167	2.4
207.11809	1.5
209.13293	1.5
210.11299	27.9
211.11555	2.0
211.14799	2.4
213.09023	1.9
221.13301	2.2
225.09138	1.6
225.12823	1.9
239.14326	7.1
249.12769	1.5
263.14334	1.3
267.13879	7.6
285.14926	2.8
309.14984	1.6
327.16028	2.2
436.92184	1.4
776.34723	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	776.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37988	1.3
79.05495	9.8
91.05489	2.3
95.05023	2.1
105.02686	1.8
105.03391	48.5
105.07030	8.1
106.93645	1.6
107.04949	100.0
111.13326	1.5
118.45670	1.7
120.08101	39.7
121.44215	1.6
131.04922	6.6
136.07558	6.7
142.77902	1.8
149.05975	21.8
163.78261	1.7
165.07018	6.6
166.07709	2.6
167.08534	20.5
169.10104	7.4
179.08553	28.5
180.10255	64.6
181.10115	14.7
191.08543	3.7
193.10159	8.7
194.10915	24.5
195.08186	2.0
195.11693	8.0
203.08501	2.8
204.09360	18.7
206.10880	1.7
207.11739	3.7
208.70375	1.8
209.09909	2.5
209.13237	79.1
211.11154	2.5
219.11658	36.2
221.13142	5.2
222.10333	11.2
236.11858	2.1
237.12703	31.8
239.14345	2.4
251.14307	2.7
255.13828	12.2
297.14789	11.3
401.17621	2.9
458.23193	8.4
461.18921	1.8
473.52747	1.6
476.24570	12.5
544.40961	1.7
575.27368	2.2
580.26721	19.1
598.27948	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89608	1.4
70.54776	1.6
79.05492	9.9
81.03382	2.0
84.88903	1.8
91.05478	2.5
95.04966	2.4
97.31046	1.6
105.03391	41.6
105.04489	2.3
105.07024	3.9
105.26663	1.7
107.04955	100.0
107.05690	3.2
117.11108	1.7
120.08097	44.6
120.76460	1.6
131.04892	3.9
136.07652	6.0
142.48923	1.7
144.82516	1.9
149.05956	22.7
165.06999	10.9
167.08554	18.1
169.10147	10.0
178.07759	2.2
179.08527	24.8
180.10274	66.3
181.10095	17.1
191.08569	3.2
193.10117	10.5
194.10846	33.5
195.11656	9.5
203.08517	3.3
204.09389	18.4
207.11711	6.9
208.12509	2.9
209.13248	64.4
211.11217	1.9
219.11716	38.4
221.13197	6.3
222.10432	9.2
227.14340	2.2
237.12727	38.5
251.14310	2.9
255.13675	15.6
264.23099	1.6
279.13626	2.2
297.14847	12.4
339.16055	2.3
341.15344	2.5
401.17365	3.4
416.21875	2.7
458.23166	7.8
461.19522	2.3
476.24017	10.6
519.07770	1.8
580.26984	17.9
598.27991	66.4
625.64301	2.0
780.29205	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	776.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91292	1.9
76.55363	2.0
79.05487	8.7
79.23944	1.8
91.05435	2.4
92.17861	3.5
95.04935	3.3
105.03396	40.4
105.07001	3.3
107.04947	100.0
120.08096	40.0
124.13755	1.8
128.66943	1.9
131.04895	2.6
134.09622	3.6
136.07562	4.6
147.04393	2.7
149.05977	22.2
155.08684	2.6
160.81543	2.3
165.07025	4.6
167.08585	18.3
169.10089	8.6
179.08495	20.4
180.10274	55.2
181.10074	15.5
191.08517	2.5
193.10063	3.8
194.10884	26.5
195.07986	2.2
195.11665	8.1
203.08577	3.5
204.09326	19.8
206.10777	2.5
207.11662	2.8
208.12448	3.6
209.13246	58.2
211.11244	2.6
219.11630	29.3
221.13252	4.1
222.10464	9.7
237.12686	30.7
251.14372	4.1
252.12080	2.8
255.13757	19.3
279.13699	2.6
297.14893	10.7
304.46222	2.2
401.17230	7.6
425.96677	2.1
458.23520	7.6
476.24442	11.4
580.26770	18.5
598.27948	70.3
776.34686	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	776.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12338	1.3
60.41653	1.4
72.29874	1.5
79.05482	8.7
81.03414	1.8
85.59102	1.5
91.05479	3.1
95.04952	2.7
105.03396	27.0
105.07030	13.1
107.04954	100.0
117.06993	3.0
119.08626	1.7
120.08095	28.4
129.06963	1.7
131.04893	2.4
133.06473	2.8
134.09648	7.6
135.08131	1.6
143.08568	2.0
149.05974	23.7
153.06985	1.5
155.08536	15.2
165.07030	6.2
167.08543	14.3
169.10155	8.9
179.08546	18.5
180.10257	66.6
181.10107	12.7
192.09332	3.8
193.10115	14.1
194.10884	25.0
195.08139	2.4
195.11705	11.3
204.09355	14.0
206.10855	3.5
207.11681	10.3
209.13234	45.1
209.15070	2.5
211.11160	3.2
219.11694	26.9
221.13300	5.9
222.10501	10.1
237.12738	31.6
239.14301	2.1
244.12424	2.2
255.13783	3.5
279.13867	1.7
295.16968	2.1
297.14777	7.1
341.15555	1.9
359.16547	6.3
413.19910	1.6
416.22073	6.5
419.18637	2.5
476.24319	34.3
518.25415	5.9
536.26367	1.9
598.28003	44.2
640.28668	1.8
656.32025	2.4
658.29517	2.4
716.33978	3.1
776.36011	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	777.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55141	2.5
95.04967	3.3
97.06524	2.6
105.07016	3.8
109.06541	9.4
113.06000	5.3
119.08558	4.5
125.05970	15.2
128.92198	2.3
133.06508	2.9
143.08559	3.2
157.10155	3.8
159.08116	3.0
161.09634	9.0
167.08583	2.6
175.07538	27.0
179.08542	4.3
181.10085	2.7
183.11728	3.9
185.09593	2.5
193.10110	3.7
195.08017	3.1
195.11734	4.3
197.08040	2.9
199.82747	2.4
206.10858	4.4
207.11711	3.3
209.13277	3.4
209.49532	3.2
211.11246	2.8
221.13193	3.5
223.11197	12.2
224.11923	2.7
225.12766	4.3
233.13440	2.4
234.68396	2.5
237.12830	3.7
239.14232	4.3
248.11818	3.2
249.12656	4.5
253.15736	3.1
263.14377	5.2
267.13739	4.8
281.15268	3.0
309.14737	10.7
327.15973	2.7
509.48898	2.9
511.19324	3.8
571.21356	35.2
777.27264	100.0
777.40295	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	777.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.1
55.25169	1.9
56.83017	2.0
57.03436	14.1
59.48628	1.9
61.25521	1.8
67.05511	31.6
68.44923	2.0
69.07075	5.8
79.05499	31.3
80.11005	2.2
81.07072	27.3
83.04940	2.2
83.08603	3.6
85.06534	4.0
91.05474	15.6
93.07047	38.9
95.04968	39.3
95.08640	16.2
97.06548	4.5
104.40167	2.2
105.07036	14.5
105.35999	2.3
107.04972	4.7
107.08598	14.1
109.06528	39.4
113.06020	17.7
117.07024	5.7
119.08582	13.5
121.06467	2.4
121.10139	16.6
129.07019	2.6
131.08580	14.9
133.10135	4.9
135.08047	37.0
135.11668	9.1
143.08583	4.1
145.10069	5.1
149.09644	3.3
152.51773	2.3
161.09595	4.5
175.11185	2.7
199.14777	3.3
217.15886	5.3
232.06027	2.5
273.18527	11.5
291.19522	33.5
307.22653	47.6
315.89157	2.2
365.23096	17.1
539.37634	2.8
573.91541	2.6
579.40454	12.7
597.41431	100.0
728.40521	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	778.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40779	1.0
58.95074	1.2
62.16144	1.2
63.91396	1.0
65.03938	1.3
67.05539	1.2
69.03429	2.6
70.94012	1.1
77.03923	1.6
79.05474	2.8
79.64756	1.0
81.07049	1.5
83.04941	1.3
84.91931	1.2
91.05478	66.2
92.17863	2.6
93.07047	8.6
95.04959	10.9
95.08628	2.2
97.06528	1.2
103.05460	2.2
105.03394	77.5
105.04511	2.8
105.07037	14.6
107.04958	2.5
107.08574	5.6
109.06522	4.5
119.04911	12.8
119.08567	10.3
121.06516	10.1
121.10108	8.5
122.77927	1.3
123.08088	5.6
131.08549	2.0
133.06451	12.3
133.10114	5.6
134.09679	10.5
135.08089	4.8
143.08546	2.2
145.10074	2.4
147.08072	3.0
148.75682	1.3
149.05980	2.2
149.09624	7.2
155.08548	1.8
157.10081	2.1
159.08026	2.8
161.09615	6.6
167.08607	1.9
169.10114	7.0
170.10957	1.9
171.11681	3.0
173.09604	2.6
175.07550	1.9
177.09100	2.3
179.08511	2.0
180.09358	2.0
181.10080	2.2
183.11725	6.9
185.09618	2.4
185.13422	1.4
187.07539	2.0
187.11118	1.4
193.10213	4.5
194.10892	2.3
195.11763	5.2
197.09637	2.5
197.13327	2.1
199.11290	1.7
205.10197	1.4
206.10910	6.4
207.11707	2.4
209.09619	1.9
209.13318	5.8
210.11246	100.0
211.11232	6.3
211.14896	2.9
220.12508	2.4
221.13278	5.1
222.10416	2.0
223.11227	2.4
224.12064	1.7
225.09270	1.5
225.12750	2.1
225.16528	1.6
227.14418	1.7
235.14825	2.2
237.12766	6.1
237.38683	1.3
239.10594	1.9
239.14293	6.8
248.11961	2.8
251.10789	1.7
255.13753	1.7
263.14346	5.6
267.13821	2.8
281.15289	6.6
291.13895	2.9
299.16318	2.1
309.14807	6.7
327.15738	12.8
330.55124	1.3
345.16861	2.6
369.16800	1.9
387.18042	2.8
509.21680	37.2
569.23450	2.8
699.64978	1.6
778.33496	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	778.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52423	1.2
66.42741	1.2
67.05518	1.9
76.68651	1.2
77.03912	1.4
79.05467	2.4
91.04896	2.3
91.05470	58.3
93.07024	7.3
95.04964	9.0
95.08597	1.9
97.02877	1.3
103.05460	1.5
105.03386	68.1
105.04513	5.1
105.07027	13.9
107.08588	5.0
109.06512	1.9
119.04934	9.8
119.08548	10.2
121.06503	8.4
121.10165	5.0
123.08072	1.9
123.24393	1.2
131.08528	5.9
133.06456	7.8
133.10107	5.1
134.09647	7.3
135.08046	5.5
143.08551	1.8
145.10176	2.1
147.08038	2.3
149.05968	5.7
149.09605	5.2
151.07501	2.2
157.10164	4.3
159.08018	3.1
161.09598	4.9
169.10139	3.1
170.10886	2.1
171.07959	1.9
171.11743	1.7
173.09634	1.5
177.05466	1.6
177.09055	1.6
181.10138	2.5
183.11702	5.8
185.09573	1.7
193.10104	3.1
194.10924	2.0
195.08116	1.4
195.11690	6.5
197.09604	5.4
197.13203	2.9
199.11145	1.9
206.10890	5.6
207.11707	2.4
209.09607	1.8
209.13129	2.3
210.11230	100.0
211.11177	2.4
211.14848	1.8
220.12463	1.6
221.13249	7.0
221.26138	1.4
222.10429	2.7
223.11176	2.7
225.09142	1.9
225.12756	4.8
227.14270	1.8
233.09676	1.4
235.14763	5.1
237.12640	6.6
239.14352	3.3
248.11864	2.0
253.15901	2.3
263.14322	5.4
267.13861	2.3
279.13773	1.9
281.15356	7.8
309.14816	10.8
327.16025	12.5
387.18094	4.8
449.19360	1.8
509.21680	44.0
569.23499	7.9
778.34143	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	778.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07583	1.1
69.07069	1.5
79.00314	1.2
79.05487	2.8
91.05479	60.9
93.07042	6.8
95.04993	9.5
96.66007	1.2
103.05436	1.7
105.03397	68.3
105.04477	2.5
105.07041	10.9
107.08582	5.1
109.06525	2.2
119.04968	9.6
119.05676	1.3
119.08579	6.8
121.06489	9.1
121.10143	3.1
123.08051	5.6
126.31432	1.2
129.07005	1.4
131.08540	5.1
133.06503	9.1
133.10141	5.2
134.09669	13.4
135.08057	2.9
143.08598	2.1
145.10078	2.5
147.08032	2.0
149.05969	2.2
149.09624	6.9
151.07530	1.8
155.08562	2.2
157.10139	1.7
159.08070	2.3
159.11656	1.6
161.05946	1.3
161.09584	2.2
165.06932	2.4
167.07079	1.4
167.08499	1.6
169.10130	4.8
175.11223	1.3
177.05569	1.8
181.10030	1.6
183.11646	4.4
185.09627	2.3
193.10156	6.1
194.10852	2.2
195.11736	3.2
197.13196	3.0
199.11079	2.4
201.09248	1.4
203.07092	1.3
206.10942	7.6
207.11678	5.6
209.13329	2.6
210.11252	100.0
211.11159	3.2
211.14684	2.1
215.10625	1.9
220.12407	1.5
221.13162	3.2
223.11217	2.5
224.11995	1.9
225.12843	2.2
227.14319	2.0
230.10910	1.3
235.14778	3.1
237.12775	3.0
239.10568	1.5
239.14333	5.6
249.12808	3.1
251.14362	2.0
253.15923	2.3
255.13763	2.1
257.56674	1.5
263.14294	2.7
267.13809	2.7
269.11743	1.4
279.13699	1.6
281.15372	5.3
283.16193	1.4
291.13943	1.5
299.16394	1.7
309.14825	10.8
327.15851	12.7
387.18204	5.5
509.21667	36.8
569.23871	6.4
779.30194	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	778.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48766	1.0
68.32153	1.0
69.45371	1.1
76.90604	1.1
79.05512	8.1
91.05476	6.3
105.03396	7.8
107.04955	100.0
131.04930	9.1
143.08540	1.5
149.05971	35.2
158.45876	1.2
166.08633	48.7
169.10117	1.4
171.11710	1.4
183.11736	2.7
195.11671	1.8
196.08800	1.4
197.09637	1.8
199.11169	9.4
207.11674	2.5
209.09703	1.5
210.11330	8.3
211.11162	11.1
223.11189	1.6
225.12830	4.7
227.10701	7.3
241.12245	1.8
253.12260	4.7
271.13287	1.5
313.14340	2.1
523.69794	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	778.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09462	0.4
85.14120	0.5
95.04970	2.7
103.05472	30.2
105.03389	10.8
105.04485	0.7
115.27698	0.5
119.08562	0.6
131.04929	100.0
133.06482	0.8
161.09642	0.7
185.09721	0.5
195.11697	0.9
197.13293	0.8
198.94626	0.5
207.11751	0.9
211.11205	0.9
223.11163	2.5
225.12589	0.7
235.11168	2.8
251.10724	0.6
253.12230	3.7
265.15771	1.2
275.14429	0.7
293.15372	2.8
295.13263	0.7
311.16345	1.1
313.14417	0.6
415.18802	3.7
443.18460	1.2
503.21030	0.7
535.22992	0.7
725.29089	0.7
743.30560	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	778.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.7
60.11477	1.6
67.47133	1.9
79.05500	8.4
91.05486	2.2
92.17849	2.7
95.08528	3.0
105.07060	3.1
107.04954	100.0
108.42458	2.3
131.08551	2.9
134.09660	36.6
143.08565	2.9
143.82306	2.0
149.05952	22.4
149.86467	2.3
155.08568	3.9
157.46149	2.5
159.34018	2.0
169.10091	8.3
179.08600	9.8
181.10120	3.7
183.11646	7.7
191.08450	2.8
192.09335	3.8
193.10179	7.6
194.11740	54.1
195.11699	2.7
206.10849	15.9
208.12433	3.2
211.14865	10.6
221.13249	24.0
223.15216	2.2
239.14299	15.5
251.17984	2.4
284.59711	2.3
299.16440	7.7
474.26266	12.2
489.46710	1.9
534.28424	84.0
660.35461	26.6
718.39569	4.3
778.41455	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	780.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08341	0.9
75.58076	1.0
91.05476	80.9
103.05453	1.3
105.03405	15.7
105.07018	1.4
119.04932	17.1
134.09653	34.4
165.06950	1.9
166.07733	1.2
167.08543	1.2
169.10115	1.3
178.07716	1.3
179.08519	4.4
181.10097	1.6
183.11790	1.4
192.09322	10.6
193.10120	2.4
195.11723	1.5
205.10138	1.1
206.11038	1.4
207.11685	13.4
209.13321	1.9
210.11241	100.0
217.10103	3.9
219.11641	2.0
223.11137	4.3
225.12659	1.6
232.12540	1.2
235.11176	6.6
237.12712	3.8
252.12184	1.6
253.12225	5.2
281.15314	1.3
313.14301	1.3
409.81906	1.1
504.23703	2.3
519.98792	1.2
522.24774	5.3
626.27411	4.4
630.55103	1.4
644.28400	19.1
680.27203	1.2
686.27856	1.2
780.35913	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46307	0.7
66.35098	0.6
77.03912	0.7
79.05492	1.2
91.05478	97.4
95.04958	1.1
103.05452	1.3
105.03397	9.1
105.07021	4.0
107.04926	1.0
119.04934	19.0
119.08569	1.1
121.06494	1.2
129.06940	1.2
131.08530	1.1
133.06470	1.2
134.09654	38.8
143.08551	1.1
147.04393	0.8
155.08559	1.4
165.05544	0.7
165.07047	2.9
166.07799	1.5
167.08559	1.5
178.07823	3.7
179.08536	4.4
180.09383	2.4
181.10051	5.0
183.11752	0.7
191.08560	1.3
192.09337	16.6
193.10118	7.4
194.10809	0.8
195.11678	4.8
197.09695	0.8
197.13266	1.6
202.07750	0.7
204.09378	0.7
205.10135	1.5
207.11679	14.9
209.09697	3.5
209.13393	1.1
210.11241	100.0
211.11179	1.0
217.10156	2.6
218.11128	0.9
219.11581	1.1
220.08850	2.6
223.11220	4.9
225.12769	3.3
232.12357	1.2
235.11176	8.1
237.12869	4.4
252.12155	0.8
253.12262	5.8
265.15924	0.7
313.14383	4.0
353.56970	0.8
388.50467	0.7
435.18085	3.6
444.21704	0.8
462.22580	2.7
492.23199	1.5
504.23761	3.1
522.16943	1.0
522.24823	30.4
582.26636	0.7
639.43304	0.8
644.28540	12.7
658.32452	7.7
739.83405	0.7
780.35834	26.0
797.70972	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	780.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46088	1.3
62.88408	1.2
74.66084	1.2
77.42182	1.4
91.05476	98.6
92.18479	2.9
102.85284	1.4
103.05466	6.7
105.03373	11.3
105.07040	3.1
107.04945	5.6
119.04943	22.3
119.08556	2.6
128.12709	1.7
133.06493	1.9
134.09651	36.1
142.06274	1.3
155.08548	1.6
165.06924	1.6
178.07785	2.5
178.52789	1.3
179.08583	2.8
180.09341	2.2
181.10110	3.5
192.09326	23.5
193.10123	7.2
194.11797	1.7
195.11700	3.2
204.09358	1.5
205.09998	1.9
207.11671	15.9
209.09700	3.1
210.11243	100.0
211.11349	1.6
216.17065	1.5
217.10190	2.2
218.06479	1.5
219.11708	2.0
223.11139	5.1
225.12714	1.6
235.11147	8.2
237.12770	2.7
252.12325	1.7
253.12193	2.5
290.49518	1.6
313.14392	2.0
391.53040	1.7
435.17963	2.7
492.24042	2.5
504.23438	2.8
522.24908	30.1
587.27472	1.5
644.28314	16.3
658.31958	8.7
780.35760	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	780.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17817	0.9
59.57647	1.1
61.96519	1.1
64.92984	1.0
69.06898	1.0
71.35437	1.0
84.94782	1.2
91.05481	89.9
91.63415	1.0
96.87950	1.3
97.87984	1.2
102.13759	1.1
103.05460	2.3
105.03378	8.9
105.04474	1.6
105.07027	5.2
107.04966	5.9
117.07018	1.4
119.04933	16.5
123.13390	1.3
134.09654	40.4
155.08543	5.3
165.06940	4.7
167.08459	1.8
169.10168	1.3
179.08531	8.0
181.10130	2.7
190.80193	1.2
192.09337	17.9
193.10153	7.8
195.11671	2.1
207.11674	15.0
209.09631	2.8
210.11246	100.0
217.10120	2.3
220.08830	2.1
223.11122	2.2
225.12686	1.5
235.11205	5.5
237.12805	1.4
253.12181	2.4
313.14261	2.8
395.74078	1.3
435.18265	1.9
504.23895	2.3
522.24854	28.5
588.22278	1.4
591.31390	1.3
644.28613	14.3
658.31866	8.5
726.07825	1.4
780.35999	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
57.02287	4.8
65.87073	5.1
67.04543	5.4
67.05500	42.5
69.07056	5.9
79.05511	46.8
81.07070	46.0
83.08598	6.4
91.05468	41.4
93.07034	55.1
95.08607	35.6
105.07030	26.1
107.08587	33.0
109.10140	10.3
117.07059	12.5
119.08562	38.4
119.09312	6.1
121.10152	42.7
129.06979	8.4
131.08548	7.5
133.10110	42.5
135.11700	10.4
145.10126	11.4
147.11664	12.2
157.10133	10.0
159.11685	9.8
161.13278	11.2
171.11589	7.8
173.13269	8.1
187.14944	7.2
198.04187	5.1
241.19479	8.4
259.20529	21.4
269.66531	5.2
269.69977	5.1
307.22684	28.1
315.19235	6.3
333.24283	6.3
335.25760	5.7
360.58167	5.2
475.46869	6.1
583.43567	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	782.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08631	11.4
73.52678	0.8
79.05488	9.5
80.42036	0.9
81.07043	4.1
91.05482	1.7
94.24937	0.9
95.04980	1.2
99.08104	9.5
105.03391	9.6
107.04957	100.0
111.38304	1.1
131.08553	1.4
134.09647	15.9
136.93544	0.9
137.81969	0.8
149.05988	14.4
155.08603	1.4
157.10085	2.1
169.10143	4.1
183.11774	3.8
184.07379	1.0
194.11771	71.4
206.11037	3.7
209.13214	1.9
211.14815	7.2
221.13229	8.9
223.14879	4.3
233.13278	6.3
249.16296	1.1
337.25296	16.4
347.23706	11.1
365.24902	2.0
425.26617	1.1
568.91174	1.0
600.35925	1.4
656.32190	5.6
736.52063	1.2
782.42596	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69418	0.9
67.05489	1.5
71.08633	11.6
71.08959	1.4
79.05487	14.2
81.07060	1.3
89.24619	1.0
91.05494	1.8
92.17822	1.5
93.07055	1.8
95.04953	1.7
99.08084	11.0
105.03385	10.3
105.07015	1.7
107.04951	100.0
129.06973	1.6
129.49251	1.0
131.08554	2.0
134.09637	11.6
143.08546	2.5
149.05972	15.9
157.10146	1.3
169.10057	3.8
181.10188	2.1
181.51385	1.1
183.11827	3.4
184.07365	2.1
193.10098	1.2
194.11758	62.3
206.10973	2.1
207.11778	1.7
209.13304	1.5
211.14775	7.6
217.59387	1.0
219.53407	1.1
221.13235	11.6
223.14851	4.7
233.13312	6.4
239.14169	1.1
266.52283	1.0
307.93073	1.1
337.25229	14.9
347.23694	10.6
365.24777	1.5
425.27081	1.4
656.32245	5.3
782.42511	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60344	1.6
55.63422	1.8
56.64578	1.8
62.39091	1.9
68.37674	2.0
93.71870	1.8
95.04956	3.0
98.30379	2.0
105.03398	33.0
131.04933	2.8
133.34085	2.0
148.18919	2.0
152.63065	2.3
155.08563	4.9
167.08508	3.4
171.08011	2.3
179.08620	3.0
180.09407	2.1
181.10112	5.1
182.10915	2.4
183.11710	13.8
192.09337	15.6
193.10133	11.5
195.11716	15.5
197.09633	3.9
197.13277	13.8
199.11206	9.9
205.10118	2.8
207.11699	22.1
209.09566	8.3
210.10452	2.6
211.11244	11.0
220.08852	3.4
223.11191	7.6
225.12697	17.5
227.10735	8.2
235.11147	13.6
253.12291	14.2
275.10419	8.2
275.33188	2.4
305.11462	4.1
315.94971	2.0
335.12451	15.5
367.15085	19.8
377.13489	9.6
395.14615	38.1
439.14923	2.3
457.16156	2.7
517.18152	24.1
616.68945	2.3
635.24567	24.4
783.29810	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	783.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38114	1.2
69.45267	1.5
122.71102	1.5
170.94012	1.6
203.04018	1.4
215.80949	1.9
285.12280	12.9
318.70975	1.7
362.18768	2.4
380.19629	6.3
382.21042	1.7
406.17560	37.4
408.19101	25.6
426.19958	3.5
436.18839	1.7
452.18085	100.0
482.19354	9.0
485.84772	1.8
545.27429	12.6
591.27936	31.6
621.28937	18.6
783.34357	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41237	1.1
56.03284	1.2
60.35025	1.2
60.58598	1.1
62.43634	1.0
67.12207	1.3
85.02922	1.8
95.82568	1.2
122.69435	1.2
130.58051	1.3
212.81960	1.5
241.13278	1.5
285.12277	12.8
298.13611	1.6
362.18668	5.1
364.20380	1.9
380.19666	8.5
382.21146	2.8
390.18051	3.2
402.18210	2.3
406.17581	43.2
408.19177	26.0
418.17545	2.5
422.20728	1.7
426.20361	5.6
452.18124	100.0
482.19437	10.2
529.28271	1.8
545.27557	12.4
591.28229	34.8
621.29236	26.3
630.44806	1.6
783.20288	4.0
783.34332	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35451	3.4
60.08157	4.2
69.07079	5.1
86.09688	23.4
91.05471	9.8
97.06564	5.6
105.07020	18.2
107.08578	7.0
109.06606	3.9
109.10096	4.8
119.04910	16.4
119.08558	19.7
124.99962	9.0
131.08598	14.7
133.06476	31.4
143.08519	26.7
145.10117	5.8
147.04395	43.7
149.09642	5.0
150.09119	4.6
153.97270	4.0
155.08566	8.9
157.10098	9.2
167.08594	7.3
169.10060	17.5
171.11723	5.4
179.08455	5.1
181.10094	23.2
183.11717	7.6
184.07336	100.0
189.05476	49.8
193.10248	5.1
195.11765	24.8
197.09729	5.1
199.11157	25.9
204.09303	4.3
205.10088	4.9
207.11644	8.0
209.09557	9.5
209.13226	24.3
217.10201	5.0
219.11679	16.7
220.12491	7.4
221.13184	6.8
222.10445	4.5
231.11696	27.1
233.13300	6.6
235.14636	7.9
237.12634	7.2
237.16412	7.7
246.14001	25.4
251.18018	16.2
259.53748	4.4
259.57938	4.7
261.16354	51.3
276.81253	4.2
279.17438	74.7
297.18420	30.1
321.18552	6.8
339.19547	17.7
344.04843	4.2
357.20596	55.5
399.21704	21.1
784.57593	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	784.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04514	66.2
74.06078	1.4
77.62566	1.0
81.07054	0.9
91.05457	4.6
92.17815	1.7
105.07017	4.2
107.08582	1.4
119.04919	13.1
119.08541	2.0
120.48622	0.9
121.10180	1.4
129.67331	0.9
131.08536	2.3
133.06458	1.0
134.09647	100.0
135.08063	1.2
137.30849	0.9
140.12650	0.9
143.08446	3.7
145.10112	1.2
147.04398	27.1
149.09567	1.1
151.07523	1.0
157.10132	1.3
171.11768	1.3
181.10117	1.8
183.11673	1.5
185.13284	1.6
192.10184	31.5
193.10057	1.4
195.11646	7.4
197.13309	1.1
199.11185	4.8
201.12798	1.0
207.11734	2.0
211.11275	1.0
213.12692	1.5
223.11218	1.8
223.14809	16.2
225.12666	1.9
234.11194	8.7
237.16371	3.8
241.15834	14.0
252.12300	22.1
254.56349	1.2
255.17285	1.8
265.15891	6.0
283.16931	10.7
325.17886	2.0
343.18964	2.2
377.90088	1.1
435.05035	1.0
724.33325	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	784.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
60.68942	0.7
61.28073	0.7
64.51819	0.7
72.04511	1.2
79.05448	0.9
91.05465	11.4
105.07034	2.7
119.04937	64.9
133.06511	1.5
134.08621	1.4
134.09651	41.3
147.04404	100.0
165.05466	3.6
181.10185	1.2
185.09622	0.8
189.05461	6.5
192.10254	1.0
194.11813	1.2
195.11751	1.2
197.26266	0.8
207.06552	1.7
209.09743	0.8
210.11348	3.2
237.16322	0.9
240.22673	0.8
246.47374	0.8
249.26404	0.8
252.12288	80.5
265.15778	0.9
266.13809	9.5
283.16833	0.8
293.15448	1.0
294.13449	1.5
336.22049	0.8
386.72260	0.9
601.21594	0.8
707.15851	0.8
724.33185	11.4
743.17999	0.8
775.13232	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	784.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95843	0.7
59.31397	0.6
61.03429	0.7
70.80410	0.7
72.84821	0.7
78.01031	0.7
79.05460	1.3
79.77993	0.8
81.07035	1.0
83.08630	0.7
91.05499	1.1
93.07030	1.2
95.08628	1.3
103.04826	1.1
103.05471	18.3
103.06107	1.4
104.36118	0.8
105.07076	1.0
107.04939	0.9
107.08582	1.3
109.06494	1.0
109.10133	1.4
111.04498	0.8
117.06976	0.9
119.08573	2.9
119.20831	0.7
121.06516	1.1
121.10152	3.6
123.08035	0.9
131.04927	100.0
131.08562	1.4
135.08087	0.8
137.09634	3.5
143.08595	1.2
145.06485	0.9
145.10114	1.5
147.08028	1.2
149.09621	1.8
153.05513	1.5
155.08578	1.6
157.10155	1.7
159.08054	1.7
159.11673	1.7
163.07538	0.9
171.11668	1.6
179.08501	0.8
181.10081	1.4
183.11728	1.6
185.09604	0.9
187.11211	0.9
193.10052	1.2
195.11700	1.6
196.12473	0.9
197.13327	1.6
199.11157	3.3
207.11711	2.8
211.11150	1.4
211.14743	1.0
213.12706	1.3
220.12416	0.9
221.13461	0.8
223.11238	0.8
225.12854	1.4
233.13316	0.8
234.14059	1.0
235.11154	1.3
235.14816	0.9
237.12885	1.0
240.71048	0.8
247.11244	1.0
249.16467	3.2
262.13562	1.8
267.17352	4.6
277.15805	9.6
285.18454	1.1
295.16888	15.1
313.17847	10.1
337.17981	1.5
355.19012	14.6
373.20108	0.8
397.19928	2.6
443.22427	1.2
454.74738	0.7
483.28174	0.8
485.23480	1.1
486.46814	0.9
503.24191	12.8
545.25244	13.0
605.27325	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	784.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62308	0.6
71.94407	0.7
74.46132	0.7
77.51155	0.8
79.05482	1.0
81.07059	0.8
84.61826	0.8
91.05477	13.1
93.07021	1.3
95.04948	1.4
105.07053	2.8
106.06547	8.0
107.04942	1.4
117.07030	1.2
119.04932	68.5
119.08567	2.8
121.06512	0.8
123.08069	0.8
129.07030	1.0
131.04921	1.6
133.06523	3.0
133.10117	1.3
134.09642	23.8
134.10626	1.1
135.08005	1.0
143.08557	1.5
145.06384	1.1
145.10106	1.3
147.04401	100.0
149.06053	1.1
149.09677	0.7
155.08514	1.5
155.72411	0.8
157.10098	2.9
157.18423	0.8
159.08028	1.3
161.09583	0.8
165.05460	3.5
165.06801	0.8
167.08575	0.8
169.10135	1.7
171.11716	2.8
171.56337	0.8
173.09575	1.3
173.13190	0.7
175.07509	1.1
179.08522	0.9
181.10086	4.4
183.08017	0.9
183.11682	1.3
185.09552	1.2
185.13257	0.8
187.11136	0.9
189.05452	7.2
193.10130	3.7
195.11713	3.1
197.09590	1.7
197.13235	1.7
199.11177	4.9
207.06555	3.5
207.11676	4.4
208.12315	1.2
209.09613	1.3
209.13290	1.6
210.11304	4.1
211.11255	0.9
213.12677	1.4
218.10820	1.0
221.13411	0.8
223.11128	2.9
223.14799	1.2
225.12679	3.6
235.11311	1.1
241.12250	1.0
249.16353	1.7
251.10715	1.1
251.14352	0.9
252.12277	84.7
265.15961	0.9
269.15164	1.1
277.15845	4.1
293.15366	2.9
294.13309	3.1
295.16879	6.9
311.16364	5.7
313.17896	1.0
329.17245	1.0
337.17993	3.1
346.39792	0.8
353.17517	0.9
355.18964	1.3
397.20105	11.2
457.22296	3.8
512.16577	0.8
533.23450	0.9
562.27484	1.1
784.35461	13.2
797.11255	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	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70207	0.9
86.09705	100.0
112.11266	3.6
120.08100	41.1
132.08081	0.9
144.85562	0.9
154.15912	20.4
157.13367	11.9
184.07469	1.0
185.12860	33.4
188.14369	7.0
189.63695	0.9
191.11958	1.0
199.18054	35.3
219.11423	1.8
225.19562	12.7
227.15259	1.2
227.17526	34.2
233.16489	31.2
233.18698	1.5
235.18124	1.1
250.19247	0.9
253.19148	17.2
259.18082	3.7
261.15988	35.9
267.24292	17.7
267.26663	1.1
270.69470	1.1
277.22656	1.3
278.84308	0.9
287.17371	6.5
295.23746	12.4
298.21310	12.2
301.22687	15.4
329.22177	10.2
332.19696	7.8
340.25711	1.3
366.27454	4.7
374.24405	6.9
400.26105	5.0
411.29697	1.6
442.30920	1.6
445.27945	1.2
457.46960	1.1
513.35211	1.0
524.38525	1.3
558.36255	2.2
600.40472	1.0
626.43170	1.3
643.45911	1.0
671.45044	13.4
673.47308	1.0
718.40649	1.4
739.50439	3.3
756.53198	9.8
766.52399	3.1
784.53241	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1558
Annotation	Desgalloyl theaflavonin
Peak:m/z	Relative Intensity
69.32262	1.6
70.91355	1.8
79.98660	1.7
85.02873	3.3
112.72498	1.7
139.03885	30.3
153.01816	73.4
163.03880	73.9
205.04951	2.2
229.04893	2.2
245.04326	3.7
257.04376	7.9
261.03918	8.0
262.04703	3.3
273.03937	9.5
275.05557	2.1
277.03479	2.5
283.07825	2.0
285.03876	3.6
287.05389	3.9
289.03275	2.0
297.04181	2.7
301.03397	86.0
313.03326	2.2
325.03314	3.0
329.02905	3.2
335.05347	1.8
353.02820	2.9
375.05017	3.6
379.04489	3.8
391.04575	2.8
403.04346	12.2
406.47510	2.1
421.05344	13.8
431.03961	3.2
435.78876	1.9
437.05051	10.1
443.06308	4.2
449.04956	4.4
455.06281	21.2
467.05759	2.7
485.07083	41.5
605.09216	100.0
623.10138	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	785.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.0
67.05505	2.6
73.02895	2.3
73.46093	2.3
79.05474	2.9
80.93410	2.0
81.03404	2.6
81.07068	8.0
85.02883	3.2
91.03159	1.8
91.03943	4.5
91.05484	2.2
93.07040	3.2
95.08635	1.9
97.02859	4.1
101.02378	1.9
121.10136	3.9
152.94942	2.0
165.39021	1.9
172.25482	2.1
184.07399	2.7
243.08438	2.5
491.26288	10.6
535.28461	2.4
785.47949	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	786.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.0
67.69463	1.5
69.03416	1.5
74.06082	100.0
91.05482	31.9
92.17861	2.5
95.04967	3.6
97.06520	8.1
103.05499	1.4
105.07043	6.1
109.06511	10.1
113.05990	2.7
115.74194	1.5
117.80870	1.4
119.04954	13.7
119.08591	2.1
123.04417	3.6
123.08051	2.6
125.06012	19.3
125.06815	2.3
129.07048	1.8
131.08528	2.8
132.08095	18.8
133.06467	2.5
143.08524	6.5
145.10124	3.1
147.04483	2.6
147.08070	3.6
150.09137	25.1
155.08533	1.9
156.09464	1.5
157.06474	2.5
157.10114	3.0
159.08081	2.7
161.09601	3.5
167.08528	2.5
169.10136	3.2
171.08034	2.6
175.07571	12.2
178.08574	1.7
181.10156	2.9
183.08067	2.3
183.11693	6.1
185.09569	2.9
192.10233	31.9
193.10136	7.2
195.08061	2.4
195.11691	8.7
197.08044	2.7
197.09689	5.2
197.13281	3.0
205.10226	2.6
206.11008	5.9
207.11757	8.7
209.09492	3.3
209.13301	2.5
211.11206	3.6
219.11697	2.6
220.09673	24.3
221.13231	11.3
223.11102	11.8
225.12817	1.8
227.10635	2.3
233.13234	2.9
234.10492	1.7
235.11310	2.6
237.12793	6.3
238.10753	35.9
239.14360	5.8
241.12209	2.5
245.13290	1.9
247.11292	3.7
248.11870	3.2
249.12738	8.1
251.10712	1.7
251.14336	2.6
261.12622	2.2
263.14380	11.3
267.13809	6.3
279.13834	2.4
281.15396	10.3
285.14948	2.6
291.13803	3.7
299.16492	3.0
309.14819	42.4
327.15872	35.4
345.16901	3.1
351.15887	1.7
369.16922	33.1
387.17993	12.2
429.19147	9.2
447.20575	1.7
489.21353	13.2
549.23419	8.6
642.77704	1.7
768.32306	3.2
786.32904	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	786.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74998	2.2
67.33260	1.8
91.05455	2.0
92.17749	2.4
103.05467	25.4
105.07005	2.1
107.08629	2.2
109.52142	2.1
114.37663	2.7
119.08612	3.2
121.06506	2.3
123.08049	2.1
131.03941	4.7
131.04919	100.0
143.08560	4.2
145.10077	2.7
155.08464	2.4
181.10136	15.6
183.11658	2.6
184.07494	3.0
195.11725	4.0
206.11011	2.5
207.11935	2.5
209.13350	4.4
219.11748	3.0
221.13202	2.6
223.14864	2.5
231.11635	3.7
237.12737	4.6
237.16248	2.6
246.13885	3.4
261.16333	13.1
279.17459	30.9
297.18433	11.3
321.18530	2.6
339.19498	4.1
360.75482	2.4
438.86810	2.1
487.24673	9.9
505.25836	2.8
547.26874	12.3
584.09753	2.2
607.28931	3.5
786.54108	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	786.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63205	0.6
58.06588	3.2
59.36105	0.7
67.45367	0.7
72.04512	43.3
74.06075	1.7
81.07038	1.8
85.37244	0.8
87.41957	0.7
88.85661	0.7
91.05476	32.1
92.18619	0.7
93.07060	1.1
95.04971	1.2
98.32422	0.7
98.40853	0.7
105.07031	4.9
107.04960	2.8
107.08567	1.2
119.04933	22.4
119.08572	4.3
131.08563	3.0
133.06500	0.9
133.10147	1.2
134.09644	100.0
135.08031	1.5
143.08588	1.0
145.10187	2.3
147.04398	1.0
147.11676	0.8
148.11157	1.2
148.98149	0.8
155.08554	1.2
157.10083	4.3
164.10692	98.9
165.45148	0.8
167.08540	0.9
169.10124	3.1
173.09567	1.0
175.29210	0.7
179.08556	1.2
181.10071	3.2
183.11685	1.1
185.13274	0.9
192.10234	24.6
193.10133	4.7
194.11069	0.9
195.11687	6.3
197.09633	1.2
199.11275	0.8
205.10150	1.4
206.10919	1.7
207.11729	7.8
209.13280	3.1
210.11240	14.2
211.11185	1.0
217.10175	1.1
218.10869	1.0
219.11682	3.7
220.12451	3.0
221.13231	6.8
223.11075	1.2
223.14859	1.7
225.12646	1.8
229.10190	0.9
230.10912	0.9
232.12320	0.8
233.13231	1.8
234.14034	1.7
235.14891	0.9
237.12759	2.9
239.14226	1.4
244.12497	1.5
247.14819	1.6
249.16293	5.1
251.14304	1.4
259.14795	1.0
265.15872	3.4
267.17456	4.6
277.15781	8.1
279.17361	1.6
295.16833	8.2
307.16882	0.8
313.18207	1.2
337.17969	4.7
355.19080	1.8
397.20059	4.9
457.22055	1.3
546.28613	7.1
606.30963	1.1
648.31726	1.6
666.32306	3.7
726.34705	16.7
726.46472	1.4
786.37042	1.3
801.41833	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	786.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
57.71055	1.0
62.06091	95.0
62.06413	3.1
63.46364	1.0
66.78036	1.2
79.05480	2.1
79.65011	1.3
81.07068	1.7
86.28525	1.2
90.99194	1.1
91.05474	100.0
95.04957	1.8
95.08535	1.6
103.05463	2.1
105.07011	4.9
107.04945	12.8
107.08591	1.9
119.04940	18.1
119.08564	5.3
121.10116	1.8
131.04947	1.9
131.08528	4.7
133.06485	1.6
133.10114	2.1
134.09657	8.0
135.08026	2.4
143.08548	3.1
145.10107	2.7
147.07971	1.5
149.06050	1.9
149.09509	1.3
155.08571	1.9
159.08072	1.5
164.10675	7.3
167.08553	2.5
169.10097	4.9
175.11151	1.3
179.08592	2.2
181.10133	5.5
183.11624	2.0
193.10112	5.3
194.11877	11.4
195.11612	8.7
199.11130	1.9
205.10120	2.2
206.10892	2.8
207.11682	1.9
208.09688	11.9
209.13307	5.1
210.11201	1.6
219.11775	2.5
220.12450	2.9
221.13237	5.9
225.12538	1.3
226.10730	75.4
231.11723	6.4
232.12460	1.8
235.14790	6.8
237.12778	1.9
245.13286	4.4
246.13959	9.9
247.14832	3.0
249.16443	1.4
251.17871	2.4
261.16379	21.7
263.14316	2.1
279.17468	10.1
297.18570	2.6
319.82916	1.4
321.18637	5.3
400.20255	1.4
645.92047	1.4
666.31195	2.6
726.34558	5.3
729.98840	1.4
786.36841	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	787.2288
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
61.04929	0.3
70.79846	0.4
71.04687	0.4
71.04995	6.5
80.65460	0.4
83.04967	0.5
85.02450	0.6
85.02902	8.1
87.04464	0.6
97.02856	0.8
115.30625	0.4
121.51462	0.5
129.05470	0.9
147.04439	0.9
285.04022	0.6
302.04181	2.0
317.06528	100.0
479.11826	35.0
625.16956	0.5
641.17206	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	788.312
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69229	4.5
71.08615	32.7
78.10305	6.0
79.05474	8.0
81.07051	8.5
83.13548	5.0
91.05479	69.5
93.07039	10.4
95.04969	23.9
99.08082	13.3
105.03395	62.6
105.07026	32.1
105.13364	5.7
107.08643	5.4
109.06499	32.5
109.49437	5.1
113.05995	10.2
115.05439	5.5
116.10730	31.2
117.07020	13.3
118.06555	44.9
119.04951	40.6
119.08526	8.0
121.06482	10.9
123.04430	25.8
125.05993	9.2
129.07010	21.5
131.08591	7.7
133.06453	23.4
135.08047	10.7
136.07573	100.0
141.05467	5.5
141.06982	5.9
142.89293	5.5
143.08549	11.3
145.06465	29.0
145.10051	5.8
147.08064	10.5
155.08551	12.2
157.06444	9.2
157.10120	11.2
159.08028	9.4
161.05933	9.0
163.07474	6.8
165.06981	7.9
167.08553	12.6
169.10126	8.0
171.08043	10.8
173.09644	6.1
175.07532	22.0
178.07613	6.1
179.08554	24.5
180.09366	8.9
181.10060	39.0
182.08153	10.4
183.07996	23.6
183.11699	6.4
185.09561	7.0
187.07487	7.4
192.09279	6.0
193.10129	31.0
195.08066	10.1
195.11684	22.9
196.08890	6.2
197.09642	21.5
197.13211	8.1
203.70634	6.6
206.10880	8.6
207.11656	25.0
209.09613	24.8
209.13271	22.1
211.11182	24.7
213.09157	8.0
213.12723	10.5
219.11737	10.0
221.09573	8.9
222.10390	8.3
223.11237	29.6
225.09161	6.6
225.12703	13.3
234.14877	43.1
235.11055	21.5
236.11899	7.6
237.12706	36.4
239.10638	9.8
239.14377	7.4
241.12199	29.9
247.11214	7.7
249.12648	25.5
251.10649	6.5
253.12242	23.3
255.13857	9.9
262.14371	26.4
263.14291	6.5
265.12241	38.5
267.13770	12.4
280.15424	63.4
281.15247	6.7
283.13211	7.5
295.13306	43.4
301.14182	8.0
301.74390	5.8
309.14810	13.2
313.14471	9.1
325.14355	76.3
327.15778	7.5
343.15552	12.2
355.15393	22.3
373.16843	7.6
385.16507	34.3
403.18124	7.1
415.17264	12.7
445.18417	39.7
487.19580	26.9
505.20566	20.3
565.22675	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	788.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79312	1.1
65.06535	1.3
79.05514	1.8
79.90908	1.4
84.59055	1.2
91.05478	87.6
105.06980	2.1
107.04945	19.1
119.04942	17.2
119.08578	2.3
120.06393	1.5
129.06976	1.6
131.08524	1.6
133.06508	2.4
134.09654	30.6
143.08546	1.9
147.04396	3.3
147.07944	1.6
149.06015	5.5
155.08545	1.6
159.08064	1.5
159.84900	1.2
160.24835	1.4
167.08516	1.3
169.10121	1.6
179.08572	2.0
181.10152	2.0
194.11777	23.9
195.11659	1.8
209.09685	2.2
209.13310	1.9
210.11243	100.0
213.12514	1.3
221.09647	2.0
221.13213	2.4
222.10437	1.9
223.14926	1.9
233.57045	1.3
249.12741	1.9
251.14334	1.7
252.12228	6.5
261.12698	1.5
267.13803	2.4
279.13742	6.8
341.13742	1.5
356.93973	1.5
371.78946	1.5
413.19046	1.7
566.02820	1.4
668.30493	16.9
728.33234	2.1
788.34698	23.4
790.40063	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	788.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37078	1.7
70.15897	2.2
71.08633	36.2
79.05482	4.7
91.05478	96.0
93.07030	11.9
95.04951	14.7
95.08604	4.1
99.08099	21.4
103.05462	2.8
105.03394	100.0
105.04476	4.2
105.07038	19.6
106.06542	12.3
107.08591	8.8
116.10732	51.5
117.06982	3.0
118.06521	32.2
119.04922	33.0
119.08608	3.9
119.40549	2.3
121.06472	13.4
121.10142	8.9
129.07014	2.8
131.08569	11.5
133.06490	14.8
133.10132	14.8
136.07588	64.9
142.07858	2.4
143.08537	3.5
145.10094	3.0
147.04359	9.3
147.08018	2.6
149.05815	3.4
149.09589	13.0
159.08064	5.6
159.11584	2.8
161.09566	4.2
165.05504	3.5
169.10152	4.5
171.08134	2.8
173.09546	2.7
177.09021	4.6
181.10098	3.8
182.08147	42.7
183.08157	2.4
187.11208	2.5
190.74869	2.3
192.09277	2.5
193.10133	4.5
195.11647	3.3
197.09595	4.7
205.10178	4.1
206.10886	3.4
208.08899	2.4
208.12508	2.3
209.13185	3.5
211.11131	9.0
211.14801	3.6
213.12685	3.2
223.11165	8.2
225.12949	2.5
233.09491	3.0
234.14914	30.5
235.14926	4.1
239.14297	5.1
248.11877	4.4
253.15840	4.5
262.14343	19.1
263.14249	4.7
280.15414	96.9
281.15292	12.5
299.16449	2.4
309.14932	19.6
327.15787	22.1
345.17184	2.9
387.18149	3.6
449.19229	4.9
491.20313	3.5
509.22131	3.4
788.36108	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	788.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43316	4.2
71.08616	30.4
76.92209	3.4
79.05507	5.9
81.07032	4.5
90.07487	3.5
91.05485	52.0
93.07060	16.6
95.04984	15.5
99.08088	18.3
105.03405	100.0
105.07029	19.7
106.06532	4.6
107.08579	4.1
116.10717	24.4
118.06501	25.9
119.04926	23.7
119.08611	4.7
121.06477	6.3
121.10107	5.4
131.08559	4.8
133.06503	3.9
133.10197	3.9
134.09685	4.4
135.04414	3.6
136.07582	45.8
143.08650	4.8
149.09621	4.4
159.07986	11.4
173.09573	6.0
182.08052	27.3
183.11761	4.7
185.09680	4.2
188.80580	3.7
195.11771	7.2
197.13194	4.8
200.45067	3.4
207.11606	5.0
209.09677	4.1
211.11220	15.4
220.12474	4.6
233.09634	4.4
234.14778	26.5
235.07700	3.6
237.12773	14.8
262.14279	6.3
263.14432	7.2
280.15546	47.7
281.15393	7.1
299.16501	12.0
309.14719	15.8
327.16022	28.3
475.29996	5.2
493.27994	4.4
509.21570	58.2
555.36700	5.4
607.25861	4.3
704.04352	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	788.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08629	32.2
79.05485	2.8
79.59642	2.0
91.05480	63.5
93.07063	4.4
95.04960	9.5
95.08598	3.3
99.08103	24.0
105.03395	74.8
105.04504	3.7
105.07024	11.0
106.06590	7.0
107.08600	4.8
109.06559	3.5
116.10718	30.1
117.07013	2.3
118.06528	45.4
119.04936	38.3
119.08564	4.9
121.06429	4.7
121.10143	2.6
129.07014	2.1
131.08502	6.5
133.06500	4.7
133.10117	8.9
135.08040	2.6
136.07573	100.0
143.08589	3.6
145.10112	2.9
147.04463	4.6
147.07968	2.9
149.09610	3.8
155.08601	2.8
157.10057	3.0
159.08104	7.2
161.05865	2.3
161.09631	2.7
167.08577	2.6
169.10069	3.2
170.83626	1.9
171.08020	2.9
173.09637	2.2
174.62564	1.9
181.10100	4.4
182.08128	28.2
183.11790	3.4
185.09784	2.3
193.10133	4.9
195.07918	2.2
197.09737	2.8
199.11230	2.3
206.10922	3.0
207.11700	2.7
208.08849	2.4
209.09627	2.6
209.13484	2.9
211.11252	4.9
215.10608	2.4
220.12421	2.5
223.11249	2.9
230.11029	2.7
234.14886	43.4
235.14784	4.1
237.12688	2.0
239.14427	2.4
245.13359	2.1
248.11992	3.6
251.14424	3.8
262.14291	23.4
263.14450	3.1
280.15417	58.3
281.15363	9.3
291.13812	3.8
299.16431	8.7
309.14807	17.9
327.15976	20.3
369.16949	3.6
384.17868	2.4
387.17712	3.7
491.20224	2.5
509.21494	9.6
788.35944	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	788.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75955	1.5
57.34334	1.9
57.83117	1.4
62.94624	1.5
64.67059	1.4
65.23379	1.5
66.46042	1.9
72.04509	17.1
98.48046	1.5
104.67442	1.6
105.03394	27.6
108.05155	1.4
110.54814	1.7
121.79963	1.6
134.08636	3.8
134.09654	100.0
137.85056	1.8
164.77625	1.8
165.48230	1.8
183.11702	3.0
235.91978	2.1
267.17535	2.9
275.73459	1.8
278.40167	1.6
290.06052	1.7
296.12836	3.9
314.13873	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	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	3.1
86.09698	24.6
92.18431	3.6
98.34529	2.9
124.99998	13.5
159.55055	2.4
184.07320	100.0
240.75116	3.2
363.77802	2.7
387.00076	2.5
457.82483	2.5
509.66306	2.8
539.13849	2.9
630.04822	2.7
788.53119	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	789.309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61530	0.8
83.01107	1.4
86.19180	0.8
91.05498	1.0
91.83258	0.8
93.07023	1.0
103.05468	15.0
105.07033	1.7
107.04934	1.0
107.08587	1.1
111.04434	1.5
115.05572	1.1
119.08549	4.7
131.04922	100.0
135.08061	1.1
143.08536	3.9
145.10161	1.2
155.08534	1.3
156.09297	1.6
157.10107	1.3
169.10100	2.1
171.11694	2.1
179.08569	1.4
181.10112	2.0
183.11754	1.2
185.09666	0.9
193.10127	3.8
194.10994	1.2
197.09622	1.0
197.13258	2.2
199.11092	1.8
205.09987	1.0
206.10922	2.0
207.11681	4.9
211.11244	1.0
213.05177	6.1
217.10208	1.7
219.11691	1.7
221.09718	1.0
221.13217	1.0
223.11061	1.2
229.10155	3.9
230.10936	1.4
231.11615	1.3
234.14043	3.4
235.11113	2.2
244.12355	8.6
247.14943	1.1
249.16432	3.9
259.14859	6.5
262.13522	2.1
277.15735	9.6
295.16876	5.9
317.15186	1.1
319.16940	1.6
328.57755	0.9
337.17963	1.2
357.72318	1.0
359.16260	2.2
401.17075	1.7
419.18289	1.5
461.19238	5.9
478.27246	1.0
507.21567	1.7
521.21429	4.2
567.23566	10.2
609.24603	21.1
627.25635	17.4
669.26630	42.5
687.27832	1.1
729.28699	28.3
789.30920	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	790.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95126	1.1
69.03468	1.0
72.04504	1.2
85.94097	1.1
91.05475	85.5
94.31463	1.2
96.56888	1.2
103.05468	2.7
105.07013	2.4
107.04997	1.4
108.27460	1.4
109.06501	1.2
109.63018	1.1
119.04961	18.7
119.08556	2.2
129.06953	1.6
131.08499	1.1
134.09645	24.8
145.06474	4.3
147.04402	1.6
159.08051	1.6
161.05849	1.6
163.25662	1.1
167.08424	1.3
169.10077	1.2
171.08054	2.1
179.46086	1.1
181.10123	1.8
183.08089	1.9
183.11824	1.8
187.07518	1.7
193.10193	1.4
195.11661	2.0
197.09653	6.6
205.10158	1.8
207.11737	1.3
209.09605	2.3
210.11238	100.0
218.02727	1.2
218.71005	1.4
221.13251	1.7
223.11099	2.9
235.11287	2.6
237.12762	1.6
241.12216	1.1
249.76271	1.3
251.10686	2.0
265.12326	2.5
281.11890	1.3
287.13910	1.2
295.13297	1.7
296.51862	1.3
323.12860	1.8
347.90756	1.3
358.79016	1.2
546.94293	1.5
753.30127	1.3
778.99628	1.4
790.32758	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87194	0.6
60.51265	0.7
67.34930	0.6
79.05511	0.7
81.03416	0.8
91.05474	2.7
95.04953	1.5
103.05471	23.0
105.07029	1.1
106.18823	0.8
107.04955	8.9
109.06531	1.2
113.05990	1.1
125.05961	0.8
131.04927	100.0
134.09653	21.5
137.06000	1.0
145.06560	1.0
149.05966	1.0
155.08672	0.8
159.08014	0.9
167.08649	1.0
173.05997	1.0
175.07422	1.0
179.08600	0.8
181.08647	0.8
181.10121	1.2
185.09618	1.1
187.07600	1.4
193.10179	0.9
194.11792	3.8
195.11696	1.1
197.09656	1.6
199.11229	1.1
201.09015	0.7
209.09761	1.6
210.11288	1.0
211.11133	0.9
213.09134	0.9
219.93295	0.7
223.11166	1.5
225.09155	1.7
225.12720	1.0
227.10661	0.9
235.32062	0.7
237.12764	1.6
241.12379	0.8
243.10135	1.1
247.10950	0.9
251.10663	0.9
253.12305	0.9
255.10164	0.9
257.24051	0.8
265.12277	1.2
283.13306	1.6
297.11298	0.8
311.12677	1.6
329.13892	1.5
339.12280	1.3
343.15567	0.9
357.13397	2.9
359.27826	0.8
790.32745	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25200	0.7
63.42821	0.8
69.03434	0.9
71.65924	0.8
74.95357	0.7
91.05473	91.6
95.04950	0.9
103.05466	3.7
105.07032	3.3
107.04929	1.1
109.06503	1.7
117.07015	1.3
119.04926	16.7
119.08619	0.9
121.06548	1.6
123.04496	0.8
125.05996	0.9
129.06990	1.1
131.04912	1.9
132.19753	0.8
133.06512	1.3
134.09653	22.7
137.05968	1.5
139.07526	1.0
143.08569	1.2
145.06444	1.9
147.08089	1.3
149.05943	1.0
151.07555	1.3
155.08540	1.6
155.52629	0.8
157.06476	1.0
157.10239	0.9
159.08003	1.3
161.05994	1.3
165.05458	1.3
167.08588	1.0
169.10156	1.2
171.08032	1.9
173.06136	1.3
173.09705	1.2
177.00848	0.8
179.08595	1.4
183.08112	1.5
185.09605	1.1
189.65724	0.8
193.10277	1.2
195.08063	1.3
195.11700	3.1
197.09615	5.7
199.11264	1.1
201.09016	1.0
207.11729	1.5
209.09660	1.8
210.11234	100.0
211.11281	1.0
223.11215	5.3
225.09119	1.1
225.12697	1.3
227.10539	0.9
228.28841	0.8
235.11125	2.9
237.12726	1.9
239.10785	1.7
249.12857	1.2
251.10709	3.1
253.12296	1.7
263.10760	1.5
265.12335	3.1
267.13824	0.9
277.12427	1.0
281.11755	1.0
283.13248	1.7
311.12976	3.5
323.12772	2.8
336.05759	0.8
371.14883	0.9
790.32727	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69375	0.6
59.21152	0.7
59.30066	0.6
59.56689	0.6
67.74376	0.6
72.04501	1.0
76.07110	0.7
78.82969	0.7
91.05464	7.6
95.04957	1.4
99.50613	0.8
103.05463	20.6
107.04941	8.8
109.06504	1.3
113.05991	2.7
119.04948	1.6
121.06418	0.8
123.04472	0.8
123.08102	0.8
125.05953	0.8
131.04921	100.0
133.06422	0.9
134.09648	26.1
135.04472	0.8
137.05969	1.1
139.03987	0.7
139.07555	1.4
143.08481	0.9
145.06514	1.5
147.04396	0.8
147.08147	0.9
149.05997	1.3
161.05980	1.3
169.06676	0.8
169.10162	0.8
171.08128	0.8
173.09706	0.6
181.10185	1.4
183.07980	1.1
183.11642	0.6
185.09682	1.6
187.07545	0.7
194.11783	5.8
197.09637	1.5
199.07468	0.7
199.11243	0.8
209.09641	2.7
210.11295	6.3
211.11166	2.6
213.09061	0.7
215.07144	0.7
223.11136	1.4
225.09082	3.1
227.10684	0.9
237.12704	0.9
239.10661	1.7
241.12309	1.0
246.07100	0.7
251.10663	3.0
253.12311	1.2
265.12262	3.1
269.11652	1.3
283.13385	1.6
293.11594	0.8
311.12732	4.7
329.13742	1.0
357.13391	1.2
375.14417	0.7
616.83173	0.8
790.32678	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	30.0
61.56051	0.8
83.04983	100.0
91.05470	5.8
95.04955	1.9
100.07622	25.2
105.03394	14.9
105.04475	0.9
105.07024	1.7
106.06560	1.4
107.04903	1.0
110.60654	1.0
118.06531	2.3
119.04927	4.2
121.10137	0.9
133.06496	2.0
135.08064	0.9
136.07529	1.3
142.71832	0.9
145.10077	1.1
147.08031	1.0
153.72314	0.9
171.61108	1.0
175.37442	1.0
176.42474	0.9
181.10092	1.1
211.11150	1.3
218.11774	1.7
246.11136	1.0
247.09680	2.0
263.14337	1.2
264.12308	55.9
271.03610	0.9
309.14813	1.7
324.90994	0.9
327.15683	2.3
820.88348	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	790.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94604	0.4
60.21532	0.4
64.44846	0.4
79.05492	4.8
91.05467	0.9
92.05798	0.5
105.03391	3.2
107.04955	70.5
124.58402	0.5
134.09642	7.9
135.10004	4.2
136.10304	0.5
141.33344	0.4
149.05968	15.5
149.07042	0.9
159.57912	0.5
165.06995	0.9
167.08563	2.7
169.10008	0.5
172.39040	0.4
179.08578	3.5
180.09360	2.9
181.10110	3.6
193.10123	0.5
194.11786	100.0
195.11659	1.9
207.11723	0.7
209.13248	13.4
219.11708	2.5
222.10408	0.9
227.14328	0.5
237.12798	3.4
255.13811	0.7
272.83969	0.5
320.00089	0.5
359.72598	0.5
382.77435	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	790.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04030	0.7
65.57925	0.7
70.00052	0.7
74.88776	0.7
79.05507	6.1
81.95916	0.8
86.71653	0.9
91.05462	1.2
92.17883	2.0
95.56900	0.8
105.03376	9.4
107.04952	81.9
134.09656	14.3
143.08545	1.4
145.09958	0.9
149.05951	19.7
155.08510	1.3
179.08627	1.3
181.10172	1.8
183.11714	2.0
193.10136	1.4
194.11763	100.0
195.11681	3.4
204.09419	1.4
207.11673	1.8
209.13263	4.2
211.11101	1.9
219.11655	3.9
222.10382	0.8
236.12762	5.7
237.12691	7.6
239.14230	0.9
244.12424	2.0
253.12131	1.2
262.13184	1.0
267.17468	1.8
277.15839	1.4
295.16916	3.6
297.14807	1.6
350.40512	0.9
355.18640	1.0
377.56039	0.9
472.24768	1.6
532.26935	3.2
585.91357	0.9
637.61823	0.9
654.30408	1.2
779.15472	1.0
790.37848	21.8
820.63214	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	790.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19059	0.7
59.01146	0.8
72.04513	1.8
79.05485	9.0
89.72926	0.9
91.05465	1.2
92.18523	2.3
95.04948	2.3
105.03388	28.0
105.04459	1.4
105.07098	1.3
107.04952	83.9
109.61961	1.1
120.56776	0.8
131.04926	3.7
134.09647	100.0
142.07898	1.0
149.05975	16.5
150.09143	23.6
155.08553	1.4
159.08089	1.1
165.06992	6.4
166.07809	1.2
167.08533	12.4
169.10117	3.7
178.07811	1.0
179.08511	11.3
180.09305	5.3
181.10112	11.4
191.08560	1.8
192.09380	1.3
193.10118	4.3
194.11853	69.6
195.11761	3.7
196.08841	1.3
204.09357	5.4
206.10913	5.1
207.11711	4.2
207.64857	1.1
208.12396	1.3
209.09914	1.4
209.13268	36.0
219.11696	9.9
220.12512	1.2
221.13260	1.9
222.10405	5.8
231.09067	1.2
236.12894	1.9
237.12723	21.3
239.14175	1.6
255.13857	3.6
297.14819	4.5
356.56830	1.0
462.26483	2.2
472.24872	3.8
489.32376	1.0
490.25937	14.2
532.27087	1.2
594.28558	7.6
612.29547	52.7
654.30310	1.3
790.37689	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	790.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02136	1.6
63.00213	1.6
79.05486	7.8
91.05476	100.0
93.07022	8.8
105.03385	15.8
105.06995	7.8
107.04949	83.5
107.05489	1.8
107.05672	2.0
117.06970	2.3
119.04946	20.7
129.07011	2.6
131.08545	4.5
134.09650	96.5
143.08560	3.9
147.04373	2.6
149.05948	16.3
155.08519	12.8
157.06424	2.1
165.06978	7.3
167.08530	11.3
169.10107	12.0
178.07770	3.9
179.08508	15.0
180.09349	7.9
181.10100	10.6
183.11682	11.1
191.08472	2.8
192.09338	8.2
193.10089	13.1
194.11877	54.1
195.11702	12.8
196.12405	2.4
197.09523	2.5
204.09319	4.6
206.10854	14.8
207.11584	5.8
208.09802	2.5
209.13202	23.8
210.11224	81.2
211.14775	10.6
219.11664	9.5
221.13255	32.2
222.10384	4.0
223.14641	1.9
237.12648	9.9
239.14299	15.1
297.14795	4.3
299.16525	4.3
490.25876	48.4
550.28046	63.5
612.29663	38.4
672.31525	40.2
730.35254	3.2
790.37469	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	790.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75964	0.9
56.89059	0.9
61.60492	1.0
71.68297	1.0
72.04507	1.7
79.05493	8.7
81.03391	1.4
92.18605	2.3
105.03402	18.3
105.04461	1.3
107.04954	100.0
134.09654	61.0
149.05960	19.2
150.09175	10.3
154.27113	1.2
165.07013	4.4
167.08595	8.4
169.10080	1.4
179.08504	9.4
180.09283	4.4
181.10086	7.0
192.10269	1.4
193.10071	5.8
194.11826	97.0
195.11725	2.6
204.09369	4.5
207.11737	4.2
209.09659	1.1
209.13234	24.5
219.11705	6.3
220.86841	1.3
221.13220	2.2
222.10437	5.7
237.12741	14.4
239.14302	1.6
255.13789	1.4
430.23779	2.0
472.24707	1.6
490.25784	12.4
552.27716	1.3
594.27979	2.1
612.20135	2.3
612.29547	32.8
695.63080	1.3
724.69348	1.4
790.37585	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	790.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86936	0.7
63.96042	0.8
72.04523	1.1
77.65051	0.8
79.05109	0.8
79.05497	7.5
105.03391	6.9
105.07022	0.9
107.04951	82.4
134.09647	16.7
149.05977	18.7
155.08604	1.0
167.08606	1.1
168.09238	1.1
174.05289	0.9
179.08510	1.4
181.10101	1.4
183.11681	4.2
193.10152	3.3
194.11772	100.0
195.11728	3.9
199.29309	0.8
204.28314	0.8
207.11618	1.9
209.13268	8.2
211.11198	3.9
211.25739	0.9
219.11705	4.4
220.12442	1.0
221.13312	1.2
222.10419	1.9
223.11200	0.9
234.14035	1.2
236.12825	3.6
237.12666	6.9
244.12538	2.0
255.13638	0.8
267.17398	1.2
277.15836	1.4
295.16907	3.6
297.14752	2.0
472.24713	1.7
490.25745	1.7
498.02795	0.9
532.26947	4.4
612.29163	1.2
654.30664	1.0
790.37988	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	3.3
61.67556	1.2
86.09698	25.4
87.16463	1.7
108.90112	1.4
125.00008	13.8
131.32706	1.8
184.07326	100.0
346.74603	1.5
386.28101	1.4
472.84625	1.7
707.26697	2.0
790.52319	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.325
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66053	1.9
65.36889	1.8
66.88486	2.0
67.05500	2.4
70.42325	2.0
71.56795	1.7
91.05479	3.2
95.08591	2.2
95.51521	2.1
103.05463	24.2
105.07035	9.1
107.08577	3.8
111.49242	1.8
119.08560	3.4
121.10144	3.5
131.03947	3.8
131.04927	100.0
131.08560	4.9
133.10155	3.6
143.08588	2.9
145.10101	2.6
155.08603	3.5
157.10030	6.9
159.08055	7.3
169.10178	2.1
178.82063	2.1
181.10152	3.5
183.11755	3.6
193.10086	3.9
195.11728	7.6
197.13353	2.9
204.09363	2.1
206.10931	3.7
207.11656	4.5
209.13246	8.6
211.11214	2.0
211.15022	2.6
219.11713	8.6
220.12589	2.6
221.13292	9.1
222.13969	2.3
231.11725	10.9
232.12473	2.1
233.13063	2.2
237.12674	3.4
246.13959	26.5
249.16394	2.1
251.17844	4.6
261.16348	43.9
279.17450	16.6
310.80988	2.0
321.18481	3.2
671.28424	27.1
731.30316	80.2
791.32642	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	792.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01430	2.6
60.04528	38.6
60.20066	2.8
74.28384	4.0
79.05473	4.1
82.75644	3.0
87.90466	2.6
91.05482	43.7
93.06477	3.7
93.07043	7.5
95.04959	13.1
105.03391	100.0
105.04477	3.5
105.07021	13.3
107.08646	4.5
107.99590	2.8
109.06496	3.1
118.06530	12.1
119.04945	14.9
121.06502	6.4
132.10268	3.5
133.06462	14.5
133.10094	14.9
135.07997	6.4
136.07571	39.9
145.10176	3.3
147.04456	3.4
149.06021	4.6
149.09631	4.7
157.10135	4.4
159.08084	4.2
178.08650	15.9
182.08061	3.8
183.11679	4.8
189.09120	3.2
193.10081	4.2
197.09727	3.8
206.08109	3.3
209.09673	3.1
211.11136	5.0
219.11548	3.3
221.13283	3.5
224.09129	41.4
233.09360	3.0
247.33835	3.0
281.15427	5.6
309.14911	5.6
327.15924	15.4
387.18100	4.4
446.36438	3.6
449.19513	3.9
475.48099	3.5
509.21692	20.2
512.24817	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	792.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28794	1.0
77.93237	1.0
83.04964	1.7
91.05479	99.7
93.07057	1.5
95.04926	1.2
97.06548	5.0
105.07043	5.1
109.06509	2.9
110.71917	1.1
114.09193	1.3
117.06998	1.4
119.04926	14.0
119.08592	7.5
119.10197	1.1
121.06467	2.5
122.33828	1.2
125.05997	2.1
129.06978	1.9
131.08585	5.2
133.06465	2.4
134.09627	20.5
135.08035	1.6
142.07690	1.6
143.08603	6.0
145.10136	5.0
149.09688	1.3
152.06152	1.2
157.10127	7.9
159.08090	2.9
163.07613	1.7
167.08643	1.6
167.26761	1.2
169.10144	8.1
170.07227	1.2
171.08107	2.3
171.11708	7.8
173.09647	5.3
181.10141	2.6
183.08058	2.8
183.11693	6.0
185.09633	5.0
185.13240	1.6
187.11128	1.4
195.11772	7.2
196.12479	1.7
197.09621	2.1
197.13307	9.0
199.07465	1.3
199.11331	1.7
201.09210	1.8
203.10646	1.2
206.10902	2.0
207.11728	4.9
209.13281	7.5
210.11240	100.0
211.11214	4.9
211.14859	2.8
213.09079	3.0
213.12735	1.4
217.08630	1.3
221.13356	5.8
222.10440	1.6
223.11093	2.8
224.11942	1.7
225.12793	7.8
227.14195	1.2
229.08698	1.4
233.13348	1.3
237.12900	4.9
239.14342	2.7
243.13744	2.0
251.14433	2.9
255.13857	2.6
265.12299	3.0
267.13754	2.2
283.13287	2.0
297.14929	5.0
325.14374	5.7
343.15375	9.3
385.16547	2.7
403.17389	4.5
458.48557	1.3
463.19504	5.4
497.25790	1.2
554.47076	1.3
766.86774	1.2
792.34283	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
67.05485	0.9
69.07044	1.0
79.05505	0.8
81.07011	0.8
83.04966	0.9
85.02962	0.8
85.06545	0.9
91.05476	100.0
93.07041	1.2
95.04948	1.1
97.06534	3.1
101.02383	0.8
103.05496	2.4
105.07085	5.2
107.04951	1.6
107.08642	1.3
109.06493	1.7
113.05982	0.8
114.09171	1.0
115.81063	0.8
117.07002	1.5
119.04939	17.8
119.08575	5.5
121.06484	1.6
123.04421	1.1
125.05994	3.2
128.06270	1.2
129.07011	2.9
131.04912	1.4
131.08588	3.6
133.06525	3.5
133.10112	1.5
134.09648	30.5
134.10612	1.2
135.08020	1.1
135.09978	0.9
142.07793	1.0
143.08551	5.7
145.06497	1.7
145.10162	5.6
147.08095	1.4
155.08586	4.0
156.09360	2.7
157.06554	0.8
157.10106	7.9
159.08092	6.2
161.09619	1.1
165.05539	1.3
167.07143	0.8
167.08562	1.7
169.10075	5.5
171.08093	3.4
171.11685	9.1
173.09642	2.9
175.07553	1.3
181.10138	3.5
182.10948	1.0
183.08104	3.6
183.11697	6.6
185.09619	4.0
185.13213	0.8
187.07552	1.1
187.11128	1.1
189.09210	1.0
193.10225	2.8
194.10893	0.8
195.08034	1.1
195.11673	5.0
197.09682	1.5
197.13275	6.9
199.11119	1.2
201.09109	3.4
203.10655	1.0
206.10901	1.2
207.11702	4.5
209.09604	3.2
209.13239	5.2
210.11246	97.8
211.11314	1.3
211.14870	4.9
213.09102	1.7
213.12810	1.5
215.10646	1.0
219.11855	1.1
221.09737	0.9
221.13326	4.7
222.10498	0.9
223.11165	3.8
223.14862	1.2
224.11978	1.5
225.08971	1.0
225.12639	6.7
229.08636	1.6
233.57222	0.8
236.12088	0.9
237.12811	6.8
239.10605	1.3
239.14439	4.1
241.12297	1.7
243.13821	1.4
249.12813	1.5
251.14355	1.6
253.12215	1.1
255.13895	1.4
257.15485	1.0
265.12189	3.5
267.10080	0.7
267.13934	3.1
279.13864	4.9
283.13351	1.7
285.14792	2.6
297.14932	4.0
307.13452	1.6
315.15942	0.7
325.14359	4.4
343.15387	7.5
368.96378	0.8
385.16739	1.2
403.17725	3.2
415.18552	0.8
445.18466	0.9
463.19754	3.3
732.31018	1.6
792.34302	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67592	1.8
61.17688	2.3
62.96058	2.1
67.37286	2.4
74.06079	100.0
79.05512	2.5
81.03391	3.3
85.61105	2.3
88.71909	2.2
89.85201	2.5
91.05489	28.6
93.07079	2.4
105.03385	21.4
114.90595	2.4
119.04954	9.5
119.08586	2.4
132.08054	4.3
143.23595	2.5
147.30638	2.7
150.09148	13.2
155.08464	2.8
165.07022	5.9
167.08560	15.1
169.10114	3.9
178.07770	3.1
179.08510	23.8
180.09317	16.2
181.10117	13.2
191.08583	4.8
192.10202	15.5
193.10056	4.8
194.10936	30.6
195.08054	3.3
195.11656	25.9
204.09352	29.4
209.13214	59.9
211.11134	5.4
219.11661	76.5
220.09683	16.0
222.10374	13.2
225.35023	2.4
227.14355	3.3
237.12718	77.8
238.10783	30.5
255.13843	12.9
255.44165	2.4
279.13715	4.0
297.14880	13.0
326.98447	2.4
359.16483	5.2
372.48352	2.8
434.78372	2.4
461.29343	2.8
656.27875	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	792.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91985	0.8
72.04704	0.7
78.04288	0.7
79.05508	6.3
83.46699	0.8
84.81291	0.7
99.23122	1.2
102.93385	0.9
105.03372	4.5
105.07024	0.9
107.04952	97.7
120.08077	6.0
132.88774	0.7
135.41827	0.7
136.26799	0.7
149.05965	21.4
166.07768	0.9
169.10037	0.9
180.10181	100.0
181.10046	1.0
183.11670	1.2
192.09361	1.1
195.11610	1.9
197.13127	0.9
199.11189	4.8
207.11682	1.5
211.11186	5.3
225.12704	3.7
227.10617	3.9
241.12198	1.1
253.12190	1.6
293.09674	0.8
313.14316	1.8
433.36856	0.8
803.57849	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	792.359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54869	0.7
73.25372	0.7
77.46987	0.7
79.05478	5.0
83.21397	0.8
92.14543	0.7
105.03374	6.7
105.07064	0.8
107.04948	87.8
120.08097	6.7
134.09628	1.2
149.05969	22.8
155.08531	1.4
167.08562	0.7
169.10098	0.9
173.93776	0.8
180.10181	100.0
183.11650	1.3
192.09358	0.9
197.09720	1.2
197.13269	1.0
199.11143	6.0
207.11693	1.5
211.11185	4.7
223.11157	1.1
225.12656	2.7
227.10654	3.5
235.11238	0.9
241.12303	1.1
253.12180	4.6
271.13525	1.2
313.14273	2.9
338.77069	0.8
351.90201	0.7
419.34302	0.8
519.46289	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	792.359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54869	0.7
73.25372	0.7
77.46987	0.7
79.05478	5.0
83.21397	0.8
92.14543	0.7
105.03374	6.7
105.07064	0.8
107.04948	87.8
120.08097	6.7
134.09628	1.2
149.05969	22.8
155.08531	1.4
167.08562	0.7
169.10098	0.9
173.93776	0.8
180.10181	100.0
183.11650	1.3
192.09358	0.9
197.09720	1.2
197.13269	1.0
199.11143	6.0
207.11693	1.5
211.11185	4.7
223.11157	1.1
225.12656	2.7
227.10654	3.5
235.11238	0.9
241.12303	1.1
253.12180	4.6
271.13525	1.2
313.14273	2.9
338.77069	0.8
351.90201	0.7
419.34302	0.8
519.46289	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	792.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.4
57.03420	9.6
57.57610	5.4
62.03117	5.8
64.64549	4.9
67.05509	73.2
69.07072	10.3
79.05496	48.2
81.07049	99.0
83.08609	7.1
90.94585	5.6
91.05471	35.2
93.07059	69.8
95.08607	66.9
105.07035	28.1
107.08575	37.9
109.10153	48.9
112.09945	8.0
119.08580	34.3
121.10133	34.0
123.11650	9.6
131.08554	9.7
133.10100	25.8
135.11664	26.2
145.10121	10.4
147.11694	10.2
149.13248	26.0
159.11682	11.9
161.13268	9.4
173.13219	7.2
188.40988	6.7
261.22052	9.9
335.25879	100.0
347.86636	7.8
595.47510	12.0
613.48145	68.9
824.29944	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	792.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.8
58.76206	0.7
60.83324	0.6
62.28968	0.7
63.56681	0.8
64.33176	0.7
69.07066	3.2
91.05499	1.1
96.08134	15.9
107.22202	0.8
108.07612	0.7
110.08670	0.7
112.11892	0.7
113.10744	8.2
114.09162	83.6
115.07570	1.0
115.22852	0.7
132.10254	0.9
208.18193	3.3
209.16487	45.2
210.11371	1.7
210.14972	3.8
226.19150	15.7
227.17542	10.4
228.15930	30.4
233.73558	0.8
245.18546	1.4
321.26599	3.3
322.24893	24.1
322.28522	1.3
339.27505	10.0
340.26010	3.8
341.24338	12.5
357.48480	0.8
358.27118	1.5
360.78857	0.8
434.34970	3.0
435.33276	9.4
452.35861	6.9
453.34311	2.9
454.32941	1.3
548.41754	3.6
565.44519	2.9
566.42755	1.2
623.27710	0.8
661.50592	0.9
679.51001	0.9
725.75891	0.8
740.34552	1.1
774.58478	3.2
792.59558	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	792.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20309	0.4
69.07068	3.0
79.05502	0.7
93.39845	0.5
96.08125	18.7
97.06536	0.7
100.99693	0.4
107.55869	0.5
111.60253	0.4
113.10752	7.8
114.09162	74.1
115.07558	0.7
132.10152	0.8
150.66748	0.5
154.58492	0.5
173.78275	0.5
181.53500	0.5
192.13834	0.5
208.18103	2.3
209.16479	38.9
210.14937	2.4
220.65431	0.4
226.19119	13.9
226.21194	0.7
227.17538	8.5
228.15927	25.7
245.18689	2.8
321.26337	3.1
322.24869	23.8
322.28485	0.9
323.23447	0.9
339.27518	10.5
340.26050	3.0
341.24384	11.1
358.27066	1.0
389.52628	0.5
405.00565	0.5
411.41696	0.5
434.35010	2.4
435.33209	8.4
452.36115	5.9
453.34363	2.6
454.32733	2.0
471.35333	0.6
547.43176	1.9
548.41858	2.2
565.44824	2.2
566.42737	0.7
661.49597	0.9
674.26904	0.5
679.51416	0.7
774.58582	3.0
792.59515	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	794.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53550	0.6
69.36983	0.5
77.03902	1.0
79.05486	3.0
81.07032	1.3
91.05454	8.7
93.07024	3.0
95.04976	6.8
95.08602	0.9
105.03387	100.0
105.04517	3.1
105.06995	5.8
107.08590	1.3
109.06486	0.6
118.06528	8.8
119.04922	2.3
119.08572	1.0
121.06474	1.4
121.10114	1.4
122.06014	21.8
123.08096	0.7
129.07034	0.6
131.08571	3.2
133.06485	2.7
133.10126	1.1
143.08513	2.9
145.10075	1.0
149.05960	1.2
149.09602	3.4
153.29568	0.6
155.08557	0.8
157.10052	1.0
159.07988	2.5
161.05969	0.7
161.09616	1.1
167.08588	0.9
169.10242	0.9
171.11639	0.8
177.09099	0.8
179.08559	2.4
181.10150	1.4
183.11679	1.5
185.09595	0.9
187.11127	0.7
193.10187	2.6
194.10849	0.7
195.08128	0.6
195.11707	0.8
196.08827	0.8
197.09598	1.4
197.13223	0.9
205.10254	0.8
206.10912	1.4
207.11702	1.1
209.09598	2.9
209.13268	2.9
211.11163	2.6
211.14914	0.9
220.12416	2.2
221.13300	0.9
223.11128	1.3
225.09189	1.1
225.12712	1.4
225.16280	0.8
227.14233	0.7
230.11008	0.8
233.13408	0.7
235.14833	1.0
237.12778	3.5
240.10138	9.0
245.13275	0.7
247.11105	0.6
248.11896	1.1
249.12630	0.6
250.13319	0.7
253.15805	1.1
255.13766	1.2
263.14459	0.8
268.09634	5.2
281.15414	3.6
286.10696	17.5
291.13718	2.6
299.16473	3.1
309.14801	5.8
327.16089	5.4
387.17999	1.2
412.40137	0.7
491.20493	0.8
509.21683	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	794.317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77397	0.4
71.91718	0.5
77.03934	1.0
79.05489	2.3
81.68226	0.5
91.05478	9.3
93.07039	1.2
95.04960	4.8
96.43340	0.5
105.03392	100.0
105.04529	2.9
105.07032	3.8
106.04156	0.6
107.08575	2.6
109.06529	0.7
118.06525	10.1
119.04935	2.3
119.08553	1.0
121.06519	2.0
121.10113	1.1
122.06026	20.1
131.08575	0.8
133.06505	2.4
133.10138	0.8
143.08600	0.9
145.06534	0.7
145.10159	0.7
147.08043	0.8
149.05992	0.8
149.09641	2.7
159.08044	0.8
159.11699	0.6
165.06992	0.6
169.10165	1.0
179.08644	0.9
180.09468	0.5
181.10139	0.6
183.08009	0.8
193.10133	1.1
195.11685	0.7
197.09569	0.7
205.10164	0.6
207.11754	0.7
209.09563	0.6
209.13271	0.6
211.11292	0.8
221.13286	0.6
222.10471	0.6
223.11044	0.7
230.10912	1.0
235.11316	0.7
237.12747	0.5
239.14285	0.6
240.10172	17.9
245.13167	0.6
248.11980	1.0
251.10605	0.8
253.15858	1.2
263.14389	0.9
268.09644	9.4
279.13937	0.6
281.15405	2.1
286.10712	16.0
291.13815	1.2
299.16583	0.8
309.14877	4.4
327.15762	4.7
331.11490	0.6
369.16928	1.2
397.85391	0.6
509.21841	0.7
597.65094	0.6
603.89240	0.6
689.63617	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	794.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41309	0.5
56.53907	0.4
58.95720	0.4
60.82683	0.5
69.07065	0.5
69.46477	0.4
75.00690	0.5
77.03942	0.6
79.05488	3.4
84.21923	0.5
89.13332	0.5
91.05477	9.0
93.07038	2.4
95.04961	5.4
95.80695	0.5
96.67204	0.5
105.03397	100.0
105.04548	2.9
105.07034	5.6
107.05008	0.7
107.08616	2.2
118.06538	6.6
119.04942	3.8
119.08568	1.2
121.06488	1.9
121.10143	0.9
122.06030	27.9
129.06985	0.9
131.08557	1.2
133.06502	2.3
135.08029	0.7
135.91113	0.5
141.06912	0.6
142.07771	0.8
145.06541	0.8
145.10141	1.0
147.04391	0.7
147.08061	1.1
149.05984	0.7
149.09631	2.6
153.07123	0.7
155.08655	1.0
157.10095	0.8
157.91611	0.5
159.08055	2.1
161.05962	0.6
161.09718	0.9
165.07033	0.9
169.10216	0.8
171.08095	1.1
177.09193	0.9
180.09428	0.6
181.10106	1.9
185.09793	0.7
193.10158	2.4
195.08044	0.9
195.11653	1.0
197.09741	0.7
205.10219	1.1
206.10930	1.0
208.09073	0.6
209.09776	0.7
211.11113	1.1
211.14796	0.6
221.13303	0.6
223.11229	2.2
225.12869	0.6
230.10898	0.6
235.14963	2.3
237.12831	1.1
238.13589	0.6
239.10591	0.6
239.14436	0.9
240.10179	13.0
241.12245	0.7
248.12010	1.1
249.12871	1.0
251.10728	0.6
253.12363	0.6
253.15880	0.6
255.23666	0.6
263.14340	1.3
267.10349	0.7
267.13580	0.7
268.09784	5.0
269.11768	0.6
281.15430	2.3
286.10751	25.3
291.13766	2.2
299.16345	1.1
309.14832	5.2
327.15891	5.9
345.17096	0.9
387.17981	1.0
449.20007	1.2
491.20468	2.6
509.21826	3.0
521.59320	0.6
673.26221	1.2
776.30432	0.7
794.31708	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	794.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55107	0.5
70.29101	0.6
70.50581	0.6
70.91222	0.5
75.21968	0.5
79.05486	3.8
81.03432	0.6
83.03548	0.5
87.51335	0.5
87.74562	0.5
91.05477	12.6
92.18552	0.9
93.07043	1.3
95.04974	5.6
105.03391	100.0
105.04515	3.5
105.07008	5.2
106.06553	0.9
107.08586	2.2
109.06529	0.6
117.12874	0.5
118.06551	8.3
119.04930	4.3
119.08574	2.6
121.06485	3.0
121.10134	2.7
122.06021	35.0
129.06975	0.7
131.08525	1.2
133.06506	4.1
133.10112	3.8
135.08022	1.1
136.07579	1.0
141.07008	0.8
141.58832	0.6
143.08600	0.9
145.06500	1.2
145.10110	0.7
147.04352	0.8
147.08058	1.0
149.05983	2.1
149.09604	2.3
157.06409	0.6
157.10074	0.8
159.08051	3.2
161.06032	0.7
161.09712	0.8
165.06825	0.7
169.10086	1.0
177.09114	0.9
179.08517	1.1
181.10121	2.0
183.08107	1.0
183.11674	1.3
185.09599	0.8
193.10092	1.3
195.11685	3.3
196.08855	0.8
197.09624	0.8
199.11253	0.7
205.10146	0.7
206.10854	0.9
207.11714	0.9
209.91881	0.6
211.11198	2.4
215.10684	0.6
220.12471	1.0
221.13205	1.2
222.10374	0.6
223.11232	2.3
225.09023	0.6
225.12759	0.9
229.12219	0.6
235.14813	2.2
237.12642	0.6
239.14349	2.4
240.10176	10.2
248.12056	0.9
251.14294	0.7
253.15874	1.2
257.15381	0.6
263.14410	2.4
268.09677	5.9
281.15329	4.4
286.10724	25.1
291.13760	1.3
299.16275	0.7
309.15045	4.4
322.96063	0.9
327.15894	4.3
369.17050	0.7
387.18109	0.6
390.13376	0.9
431.18323	0.8
449.19412	0.9
509.21643	2.5
591.98718	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	794.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15751	1.0
76.88491	1.0
79.05459	1.5
81.07030	1.6
91.05419	1.4
93.07030	2.1
93.55569	1.1
95.04948	6.5
95.08578	1.4
105.03394	100.0
105.04485	3.6
105.07045	8.8
107.04957	1.4
107.08567	1.8
119.08490	1.1
121.06511	2.6
123.08096	1.5
131.08598	2.6
133.06480	6.6
135.08064	4.0
143.08540	6.0
145.06485	1.8
145.10127	2.4
147.08003	1.5
149.05922	2.7
149.09584	1.8
150.59756	1.1
155.08502	2.2
159.08038	5.4
161.09604	12.9
169.10091	5.1
171.08020	1.8
171.73291	1.1
173.09584	2.8
179.08420	1.4
181.10117	7.3
183.08136	1.3
183.11667	2.4
185.09622	1.7
192.09355	4.6
193.10091	5.4
195.07996	1.6
195.11697	7.6
197.09593	7.3
198.10480	2.1
199.11203	17.2
207.11740	8.2
208.12506	1.3
209.09612	5.2
209.13231	2.5
211.11160	22.9
213.12668	2.3
217.10144	1.9
219.79985	1.3
221.13246	2.7
223.11150	9.5
223.14754	2.2
225.12735	13.3
227.10641	23.1
231.11812	1.6
232.12454	4.8
233.13284	1.7
235.11163	4.5
235.14871	1.8
236.11885	2.0
237.12616	1.3
237.16347	4.7
239.14320	1.9
241.12175	1.9
247.14777	6.6
249.12744	2.3
250.13506	1.9
251.10773	1.3
251.14288	6.0
253.12137	14.9
255.26830	1.1
260.11945	2.4
263.14322	5.5
265.15848	12.0
269.11603	7.8
271.13281	6.8
275.14294	4.7
278.67905	1.2
283.16931	2.4
293.15189	11.7
311.16321	8.4
313.14215	9.6
329.17667	2.5
331.13181	1.4
353.17386	4.8
355.15344	27.6
371.18707	1.6
373.16284	5.2
413.19601	1.7
415.18396	8.4
433.19028	1.5
475.21198	8.4
493.22113	2.7
535.22943	12.6
595.25348	14.0
637.26239	1.8
655.26874	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	795.377
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07507	0.3
66.50761	0.3
78.24927	0.4
105.70933	0.4
164.23087	0.5
173.29904	0.4
203.05415	0.4
234.04451	0.4
241.18945	0.4
254.96814	0.4
304.51062	0.4
409.18332	100.0
419.20505	0.4
427.02930	0.5
507.91437	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	796.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.6
67.05514	69.6
68.47713	6.2
69.07058	28.0
79.05497	62.1
81.03437	6.8
81.07059	99.5
83.04977	8.8
83.08616	11.1
84.58530	7.0
91.05481	46.0
91.92235	7.7
92.61697	6.5
93.07043	100.0
95.08595	43.6
97.06536	9.2
105.07007	17.0
107.08582	47.0
109.10146	13.6
111.08067	7.7
117.07004	9.0
119.08536	28.9
119.71326	6.2
121.10131	43.3
123.11699	7.5
131.08556	8.6
133.10146	29.3
135.11697	13.9
145.10115	16.2
149.09583	11.3
149.13223	9.8
159.11673	15.6
182.29919	7.0
269.17603	7.8
307.22617	55.9
349.23718	13.6
487.34045	12.6
501.35660	79.4
581.41846	16.9
599.43378	8.0
753.63074	7.7
809.11053	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	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98874	12.8
67.05484	70.4
69.07043	19.3
69.61821	12.8
79.05489	88.3
81.07049	85.9
91.05499	24.9
91.11916	17.5
93.07019	100.0
95.08601	31.0
105.07034	28.5
107.08618	19.1
109.10171	15.3
121.10124	32.5
131.08551	19.8
132.20081	14.1
145.10060	18.8
159.11703	14.6
160.54189	17.7
186.83937	18.1
240.14395	16.6
307.22757	63.5
330.46466	12.9
345.16156	18.2
501.35947	91.8
581.41553	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47671	0.5
67.05510	1.0
71.59392	0.6
79.05491	1.4
81.07076	0.9
85.02876	0.9
90.36408	0.6
91.05449	1.1
93.07037	1.2
95.04956	1.5
97.06497	0.7
103.05454	1.1
105.07021	4.6
107.04942	9.1
107.08612	1.4
109.10175	0.6
117.06974	0.8
119.08579	4.7
120.08102	100.0
121.06514	0.8
121.10151	1.4
129.07007	2.6
131.04929	9.1
131.08540	1.4
133.10135	2.7
134.09644	10.7
135.08047	0.9
143.08588	2.8
145.10107	1.4
147.08015	3.2
149.05980	3.7
149.09604	1.2
153.05449	0.9
155.08556	2.7
157.10120	3.9
159.08014	1.2
161.09560	0.9
169.10135	3.4
171.08034	1.0
171.11708	4.1
173.09694	0.9
175.11116	1.0
177.09166	0.8
179.08638	1.1
179.21539	0.7
180.10246	6.1
181.10144	4.0
183.11684	1.5
185.09633	0.8
185.13272	1.6
187.11212	1.6
192.09297	0.8
193.10115	3.6
194.11815	0.9
195.11681	3.2
197.13260	2.9
199.11179	4.9
201.12749	0.7
205.10312	0.8
206.10919	0.8
207.11656	5.5
209.13261	1.4
211.11243	2.5
211.14816	0.8
213.12749	2.7
219.11691	3.7
220.12704	0.7
221.13303	1.6
223.14806	1.2
225.12762	3.1
225.16425	0.8
233.13078	0.8
234.14030	4.1
235.11162	1.5
235.14793	0.8
237.12694	2.6
239.17891	1.2
244.12408	2.8
247.11145	2.5
249.16515	5.2
251.14471	0.8
253.12343	1.1
253.15868	0.7
259.14871	0.9
262.13599	2.8
265.12415	0.8
265.15674	0.8
267.17444	4.4
276.86102	0.8
277.15909	10.2
295.16949	16.3
313.18036	5.0
333.49408	0.8
337.17929	6.5
355.19086	7.3
397.20004	16.6
415.20990	1.3
417.88962	0.8
457.22443	3.4
517.24060	1.5
576.29602	15.9
636.31622	12.5
696.33569	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	798.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18077	0.4
58.20169	0.5
60.74333	0.4
67.05530	0.5
69.03420	0.8
74.06066	0.8
79.05490	2.3
81.07098	0.6
85.02911	2.1
91.05460	3.1
93.07030	1.0
95.04961	1.2
97.06512	0.6
103.05468	0.8
105.07009	5.2
107.04944	5.5
107.08589	1.2
109.06489	0.9
111.04427	0.8
117.07043	0.9
119.08568	3.1
120.08099	100.0
121.06493	0.9
121.10109	2.1
123.08046	0.7
129.06975	0.9
131.04930	7.6
131.08539	1.3
133.10092	2.5
134.09663	4.9
135.08055	2.5
137.09631	0.7
141.07024	0.7
141.86876	0.5
143.08546	2.0
145.06424	0.8
145.10124	2.2
147.08057	3.0
149.05984	0.8
149.09610	1.1
155.08554	1.2
156.09407	0.7
157.06439	0.7
157.10156	2.4
159.08028	1.2
159.11670	2.0
159.88721	0.5
169.10132	2.4
169.34219	0.5
171.07985	1.0
171.11684	3.4
172.60770	0.5
173.09608	1.2
173.13211	0.9
175.07513	1.0
175.11115	1.0
180.10228	6.0
181.10123	4.2
183.11687	2.8
185.13261	2.0
187.11183	2.2
189.09048	0.8
193.10162	1.1
195.11710	3.2
197.13251	3.4
199.11151	7.1
204.10226	0.8
205.12102	0.7
207.11714	5.4
208.12436	0.8
209.09618	0.7
209.13251	1.0
211.11153	2.2
211.14859	1.1
213.12747	2.9
219.11694	2.8
221.13289	1.3
223.11230	0.7
223.14828	1.0
225.12802	2.5
229.10149	0.7
233.13417	0.7
234.13930	2.0
235.11159	2.4
235.14787	1.0
237.12727	2.3
239.14096	0.9
239.17981	0.6
244.12500	1.9
247.11050	1.0
249.16463	3.8
251.14346	1.1
253.12277	0.5
253.15785	0.8
259.14813	1.3
262.13589	2.8
265.15875	0.6
267.17453	4.1
277.15863	10.2
295.16885	15.5
313.17902	4.9
317.57089	0.6
337.17892	6.7
355.18933	6.6
397.20102	16.2
415.20871	1.3
457.22177	5.8
517.24469	1.2
576.29517	16.2
594.30725	1.1
605.41876	0.6
636.31635	13.9
696.33411	1.0
738.35822	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	798.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98841	0.4
59.31276	0.4
67.01405	0.5
67.05486	0.7
69.03464	0.6
69.07070	0.6
74.06078	0.7
79.05496	2.8
81.07033	0.5
83.04995	0.5
85.02916	0.7
91.05472	2.4
93.07071	1.0
95.04967	1.9
95.08626	0.8
97.06506	1.0
103.05474	1.0
105.07036	5.4
107.04956	8.7
107.08582	2.4
109.06512	1.0
111.04462	0.6
117.07034	0.9
118.06535	0.6
119.08569	4.4
120.08103	100.0
121.06469	0.9
121.10143	2.8
123.08103	1.0
128.06255	0.6
129.07014	2.4
131.04076	0.7
131.04933	9.0
131.08574	1.9
133.06458	0.5
133.10170	3.3
134.09665	20.1
135.04549	0.5
135.08043	2.5
136.06445	0.5
143.08565	2.7
145.06517	1.0
145.10144	1.9
147.08060	4.1
149.06020	1.9
149.09610	0.9
151.07541	0.5
155.08578	1.9
156.09346	0.7
157.06386	0.6
157.10150	3.2
159.08060	2.3
159.11667	2.2
161.09641	1.1
163.07553	0.5
165.06952	0.6
166.07805	0.6
167.08519	0.7
169.10066	2.4
171.08063	0.9
171.11687	4.1
173.09641	2.6
175.07550	1.8
175.11226	1.0
177.09084	0.6
179.08617	0.8
180.10208	6.9
181.10098	4.2
183.11700	2.7
185.09637	0.8
185.13220	1.8
187.11151	2.1
189.09125	1.0
189.12816	0.5
192.09311	1.6
193.10147	2.9
194.11923	1.0
195.11650	3.9
196.12373	0.5
197.09605	0.9
197.13281	3.6
199.11192	7.3
204.10214	0.9
205.12228	0.6
206.10904	0.8
207.11693	6.2
208.12479	0.6
209.09521	1.1
209.13315	2.4
211.11172	2.4
211.14905	1.1
213.12804	3.2
217.10193	0.4
217.12318	0.6
219.11714	2.2
220.12459	2.6
221.13264	1.1
222.11189	1.8
223.11324	0.6
223.14850	0.7
225.12820	2.5
233.13339	0.5
234.14006	3.8
235.11253	1.2
235.14850	2.0
237.12816	1.9
239.17899	0.9
244.12537	2.5
247.11160	1.1
249.16350	7.4
250.62093	0.6
251.14290	0.7
253.12282	1.1
253.15952	1.0
253.39525	0.5
259.14893	2.3
259.23544	0.5
262.13504	4.1
267.17416	4.7
277.15863	12.0
295.16919	16.8
299.19077	0.6
313.17960	5.1
320.46085	0.5
326.21588	0.6
337.17899	7.3
355.18997	6.5
397.20105	16.7
415.21048	3.5
457.21985	4.9
517.24396	2.3
576.29578	18.1
590.31097	0.6
594.30505	0.6
636.31622	13.7
696.33557	1.9
738.34229	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	799.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07151	1.6
61.33620	1.5
63.72333	1.5
79.08044	1.6
95.04996	6.2
105.03397	100.0
105.04476	2.8
105.07026	3.0
133.06502	2.4
143.08640	1.8
149.05986	2.3
155.08517	2.5
161.09622	3.1
165.06979	2.4
166.07820	2.2
167.08549	3.1
169.10167	3.1
178.07791	9.4
179.08553	21.3
181.10118	19.2
192.09357	14.4
193.10127	36.9
194.07199	2.4
195.11708	4.2
197.13319	2.4
199.11182	2.6
205.10110	23.3
207.11691	39.9
209.09625	15.1
211.11230	12.6
217.10193	9.1
220.08954	6.6
221.04630	1.8
223.11171	6.9
225.12778	8.9
227.10695	7.9
232.12590	2.4
235.11211	23.7
247.14914	3.8
253.12302	13.2
257.09491	2.9
263.14404	4.0
265.16000	2.7
275.14389	2.6
293.15381	2.3
295.13321	2.9
311.16571	2.0
317.11377	3.2
377.13605	10.3
379.12848	2.1
437.15591	8.0
439.15100	9.6
499.17111	25.3
513.21014	2.3
555.21716	8.1
617.23425	3.8
621.20386	2.1
677.25641	55.2
681.22443	3.2
799.29376	52.7
800.58423	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	800.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38258	0.9
63.88853	1.2
66.53434	0.9
79.05487	9.9
79.87357	1.0
91.05473	1.7
95.04949	1.6
105.07034	1.9
107.04949	72.6
109.06521	5.0
113.05998	1.7
117.06977	1.9
123.04472	2.2
127.07590	1.3
129.06947	1.3
131.04912	9.0
133.06541	1.6
134.09668	5.6
139.07567	2.1
140.05777	1.0
145.06557	4.0
149.05969	22.5
157.06499	1.3
161.09663	1.2
163.07500	1.5
167.08562	1.8
168.82529	1.1
169.10184	1.2
177.09167	1.2
179.08615	1.8
181.08673	2.7
181.10141	2.2
183.08086	2.7
183.11662	1.2
187.07440	1.4
189.09145	1.1
193.10207	2.3
193.94304	1.3
194.11761	62.9
194.21770	1.2
195.08142	1.4
195.11702	4.5
199.07520	1.2
205.10150	2.6
207.11728	4.2
209.09590	4.2
209.13295	2.4
211.11214	1.3
213.09187	1.2
213.12895	1.3
219.11742	4.9
221.13358	1.3
223.11224	5.3
225.09062	1.2
225.12665	2.0
233.13083	1.7
233.94891	1.2
235.11212	2.4
237.12820	5.3
241.12199	1.4
253.12396	2.0
265.12296	6.4
267.14029	1.6
277.12335	1.2
283.13351	2.2
292.30664	1.2
295.13391	1.7
297.15048	1.8
307.13239	4.1
325.14249	9.2
343.15469	4.5
385.16531	2.5
800.34857	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	800.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	1.0
74.83669	0.8
91.05491	14.9
95.04971	1.6
95.08629	1.4
103.05434	1.1
105.07037	4.8
107.63215	0.9
109.06541	1.9
113.16393	0.9
119.04939	52.9
119.08578	4.0
120.08104	5.9
121.06452	1.0
123.53613	0.9
124.90761	0.9
131.08539	2.0
133.06496	1.0
134.09654	19.6
140.70909	0.8
143.08643	3.4
145.10146	5.1
147.04404	100.0
147.08075	2.1
155.08476	1.0
157.10196	3.4
157.56778	0.9
159.08044	3.6
161.09598	1.8
165.05495	4.1
167.08481	1.5
169.10088	4.1
171.11734	1.8
181.10272	1.1
183.08031	1.3
185.09641	3.6
189.05475	7.2
189.09142	1.9
191.10858	1.0
193.10100	1.1
195.08180	1.0
195.11713	1.2
197.09674	3.9
207.06665	3.0
207.11766	1.0
210.11317	2.0
211.14938	1.2
213.09193	1.2
219.11745	0.9
221.13297	1.2
223.11203	1.6
225.12721	1.7
239.10782	1.0
239.14252	1.9
246.14154	1.0
249.12814	1.7
252.12289	41.1
261.16434	1.9
263.14474	1.5
281.15347	1.8
309.14761	1.3
327.15866	3.6
369.17105	2.1
733.05768	1.2
800.34821	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78743	0.9
67.53160	0.8
72.04539	0.9
75.18022	1.0
79.05496	0.9
80.16248	0.8
81.07045	1.0
83.41880	1.2
91.05485	10.1
95.04968	2.2
95.12046	0.9
97.06561	4.0
105.07043	4.4
105.35159	1.0
109.06541	6.3
113.06021	3.7
119.04939	55.4
119.08549	1.1
121.06529	0.9
123.04371	1.1
125.05965	8.8
129.07019	1.0
133.06497	6.2
134.09645	21.3
137.87033	1.0
139.07523	1.3
143.08542	4.0
147.04407	100.0
155.08636	1.3
157.10101	2.1
159.08035	2.2
161.09645	3.9
163.07565	1.3
165.05530	2.2
167.08607	1.2
171.08026	1.4
173.09637	1.2
175.07573	5.1
175.11156	1.1
179.08549	1.2
181.10194	1.8
185.09621	2.4
187.11238	1.2
189.05452	7.2
193.10245	2.0
195.11729	5.7
197.09734	1.6
206.10866	2.0
207.06534	4.3
207.11713	5.0
208.08812	1.0
209.09624	1.3
210.11169	1.3
211.11160	1.2
219.11728	1.5
221.13258	6.6
223.11247	5.4
225.12755	1.7
229.64464	1.1
235.14850	2.1
237.12770	1.9
239.14403	4.6
241.12093	1.2
245.13214	2.2
248.12070	2.1
249.12762	4.7
251.14259	1.1
252.12292	48.9
252.14769	1.9
263.14511	2.4
265.12344	1.4
267.13950	1.3
279.13858	1.2
281.15482	4.5
285.14655	1.1
291.13882	3.8
309.14868	12.4
327.15735	9.2
369.17105	6.3
406.99216	1.1
489.21246	1.6
675.92065	1.2
800.34875	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43339	0.9
81.07081	1.0
86.31788	0.9
86.40226	0.9
91.05472	11.5
92.18476	1.6
95.04950	1.8
95.08644	1.3
97.06530	2.1
105.06992	1.2
109.06500	5.5
111.08051	1.1
113.05986	3.6
119.04937	54.7
119.08584	3.9
125.05970	10.5
131.08609	1.9
133.06502	5.3
134.09654	17.8
135.08119	0.9
137.05991	1.5
143.08585	3.8
145.10123	1.3
147.04404	100.0
147.08073	1.4
151.07530	1.7
155.08551	1.3
157.10121	1.6
159.08049	3.4
161.09666	1.9
165.05450	4.0
167.08606	1.4
169.10118	4.4
171.08044	2.0
173.09712	1.3
175.07559	5.3
179.08585	1.1
181.08662	1.3
181.10135	3.5
183.11676	1.4
185.09656	2.2
187.11115	1.0
189.05473	8.2
189.09012	1.6
193.10138	3.3
195.08026	1.2
195.11739	5.4
197.09615	2.0
199.11127	1.4
206.10963	3.5
207.06522	1.6
207.11749	3.7
209.09584	1.8
209.13268	1.3
210.11282	1.9
211.11188	1.8
211.14824	1.1
220.12572	1.7
221.09691	1.1
221.13295	4.9
223.11162	5.2
225.12758	4.4
227.10555	1.3
231.11713	1.1
235.11201	1.3
235.14813	2.1
237.12708	1.6
239.14371	1.2
248.11876	1.5
249.12775	5.4
252.12271	42.6
252.14786	1.9
263.14355	3.5
281.15399	1.8
291.13657	2.8
309.14743	9.7
327.15930	8.0
361.85110	0.9
369.17093	5.3
401.59473	0.9
448.94592	1.0
489.21304	1.8
687.30585	1.0
800.34766	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30142	1.0
63.26477	1.0
74.80690	1.2
78.38094	1.2
81.33617	1.1
90.25600	1.2
91.05475	7.7
95.04933	1.5
95.97608	1.3
97.06535	1.3
105.07060	2.1
109.06511	4.8
113.06025	4.8
119.04943	59.4
119.08644	1.9
120.53104	1.4
125.05992	12.6
133.06503	5.4
134.09666	22.8
135.08098	1.4
137.05952	1.8
141.59305	1.5
143.08548	3.0
147.04407	100.0
147.08061	2.6
159.08109	2.7
161.09584	1.5
162.22307	1.2
165.05508	1.7
167.08516	1.7
169.10133	2.1
171.07985	1.4
175.07582	6.1
181.10045	4.2
185.09648	5.1
189.05493	8.1
195.11725	5.5
197.09671	2.9
201.09077	1.3
206.11023	1.8
207.06514	5.7
207.11746	7.7
209.09570	1.7
210.11292	1.3
211.11232	1.5
220.12486	1.9
221.13303	7.5
223.11172	6.3
225.12764	2.8
235.14967	1.6
237.12801	1.4
239.10704	1.4
239.14363	2.5
249.12703	2.2
252.12283	52.2
281.15433	2.9
291.13757	2.7
309.14795	13.1
323.16901	1.8
327.15952	10.4
369.17154	8.7
429.18927	1.4
561.75012	1.3
800.34772	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63076	1.5
56.67026	1.5
76.95791	1.4
79.05482	7.5
99.96922	1.5
105.07011	2.2
107.04947	66.7
109.06542	2.9
113.05951	2.1
114.56130	1.7
123.04414	2.1
125.05977	2.4
126.70303	1.4
131.04912	6.6
134.09637	6.7
141.07007	2.4
143.08609	2.3
145.06442	2.6
149.05959	18.2
159.08109	3.9
164.81386	1.8
181.08643	2.3
181.10164	2.8
193.10181	2.1
194.11743	62.9
195.11661	3.3
201.09206	1.9
207.11757	2.6
219.11668	2.4
223.11118	2.3
235.11209	3.0
237.12744	3.1
241.12395	1.7
248.11967	1.9
265.12271	3.9
283.13397	3.2
295.13397	1.8
307.13275	3.0
313.14438	2.2
325.14352	8.9
343.15338	1.8
363.53461	1.7
367.15427	1.8
385.16519	3.0
445.18256	2.1
575.58398	1.8
677.29303	1.9
800.34747	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	800.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26944	1.0
62.22639	0.9
64.00703	1.0
69.03440	1.4
91.05465	10.1
97.06537	1.6
100.22015	1.2
102.47001	1.1
102.61084	1.2
105.07019	4.0
107.08638	1.2
109.06510	4.6
113.06004	4.5
119.04073	1.9
119.04931	58.6
119.08565	1.5
121.06493	1.4
125.05984	11.7
129.06995	1.3
133.06471	4.6
134.09657	20.8
143.08592	5.5
145.06563	1.2
147.04401	100.0
147.08087	4.2
157.10115	1.5
157.36642	1.2
159.08087	1.5
161.06126	1.3
161.09686	1.8
165.05464	2.3
169.10138	2.4
175.07521	4.5
179.08592	1.8
181.10117	2.6
183.11646	2.0
189.05473	7.0
193.10120	1.8
195.08160	1.1
195.11710	5.0
197.09692	2.4
199.11305	1.3
205.10181	1.4
206.10881	1.6
207.06508	1.5
207.11696	4.9
209.09714	1.1
209.13261	1.3
210.11276	1.4
211.11253	1.2
220.12520	2.1
221.09705	1.1
221.13290	6.0
223.11188	4.4
235.14880	2.0
237.12791	1.7
239.14351	2.5
241.12350	1.9
245.13336	1.2
249.12677	2.6
251.10846	1.1
252.12270	48.6
252.14755	1.9
253.15977	1.4
255.13708	1.3
263.14230	4.2
267.13843	1.9
279.13986	1.1
281.15335	4.1
291.13733	1.4
299.16415	1.4
309.14792	10.9
310.26544	1.1
327.15967	12.3
369.17010	6.4
387.17914	2.2
424.80612	1.2
489.21542	1.3
549.23230	1.5
800.34778	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69894	0.9
79.05494	0.9
80.38467	0.8
81.07048	0.9
91.05480	11.4
93.07023	1.2
95.04978	1.5
97.06530	3.7
99.36234	0.9
105.07042	4.1
107.04956	1.6
109.06524	5.8
113.05999	1.3
119.04936	55.0
119.08568	2.2
121.06519	2.1
123.08034	1.2
125.05957	7.9
129.06978	1.0
133.06474	4.7
134.09647	21.2
135.08076	1.5
139.07614	1.0
141.06976	1.1
141.59598	1.0
143.08545	4.6
145.06506	1.0
145.10135	1.7
147.04396	100.0
147.08031	1.9
148.11270	1.4
151.07571	1.5
154.96214	0.9
155.08525	1.6
157.10115	3.7
159.08072	4.6
161.09662	2.2
165.05461	1.9
169.10130	4.4
171.08110	1.3
173.09583	1.2
175.07526	7.4
181.08685	1.2
181.10162	3.9
183.11790	1.2
185.09608	3.6
189.05458	7.7
193.10168	3.7
195.11708	5.2
197.09651	1.4
197.13243	1.5
206.10898	4.1
207.06493	3.6
207.11740	4.8
208.49272	1.0
209.13214	1.4
210.11256	1.2
211.11290	1.6
211.14909	1.7
219.11806	1.1
220.12450	1.1
221.13252	6.3
223.09058	0.9
223.11182	5.9
225.12758	3.6
233.09592	1.1
235.11229	1.3
235.14873	1.6
236.11853	1.1
237.12660	1.1
239.14336	4.8
241.12135	1.2
245.13324	1.4
247.11053	1.1
249.12823	4.9
251.14294	1.3
252.12271	44.2
252.14758	1.9
263.14313	3.8
267.13913	1.1
281.15448	2.0
291.13861	2.2
299.16541	1.2
309.14801	10.4
327.15958	6.9
369.16977	5.3
387.17969	3.5
429.19421	1.4
489.21341	1.2
715.94318	1.2
800.34772	68.4
813.70056	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	800.348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29832	1.5
66.16899	1.3
67.47645	1.2
79.05489	6.6
91.05453	2.7
95.04947	2.1
97.06480	1.9
105.07048	1.9
107.04949	81.8
109.06506	3.0
113.06026	3.1
119.04958	2.4
121.06497	1.8
123.04430	1.9
125.05994	3.6
129.07005	2.7
131.04924	9.1
131.08621	2.1
133.06506	1.5
134.09642	11.4
139.07565	1.8
145.06458	7.3
147.08069	1.8
149.05981	17.0
155.08624	2.5
157.06485	3.2
159.08041	2.2
161.05983	1.6
163.07547	2.9
165.07053	1.8
167.08585	2.8
171.08081	2.6
178.07921	1.8
181.08606	2.3
181.10136	3.2
183.08081	1.8
187.07529	1.7
193.10129	3.0
194.11769	70.4
195.11630	2.8
207.11697	2.1
209.09612	2.0
209.13272	3.4
211.11201	3.3
219.11694	3.2
221.09723	1.9
223.11147	2.8
233.13254	2.1
235.11206	2.8
237.12828	3.6
241.12247	2.9
252.12335	2.2
265.12286	5.4
279.13870	3.5
283.13306	3.5
295.13379	1.9
307.13367	6.0
325.14398	10.0
343.15457	1.8
385.16431	3.4
675.03455	1.5
800.34808	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	800.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36607	0.6
60.08214	0.7
64.99956	0.7
69.03405	0.6
79.05491	9.2
86.61610	0.7
91.05469	4.3
93.07063	0.9
95.04951	1.4
97.06536	1.5
103.05463	3.3
105.07034	3.7
107.04952	73.6
107.08591	0.9
109.06477	5.1
111.08098	1.5
113.05987	2.7
117.07014	1.4
119.04945	0.9
119.08573	1.1
121.06504	0.9
123.04436	2.7
123.08093	0.8
125.06012	2.6
129.07027	3.4
131.04907	8.6
131.08560	1.1
133.06512	1.4
134.09644	11.2
137.06001	1.5
139.07565	3.6
141.06947	1.2
143.08528	1.3
145.06491	5.5
147.08015	1.3
149.05969	19.9
151.07556	1.2
155.07213	0.9
155.08543	1.5
157.06535	1.3
157.10074	1.5
159.08119	1.5
161.05968	1.0
163.07494	1.3
165.07036	1.1
167.08571	1.4
169.06497	1.3
169.10078	1.3
171.08009	2.6
173.09642	0.9
175.07597	0.8
176.06039	0.7
178.07674	0.8
178.77200	0.7
179.08537	1.3
180.09320	1.2
181.08595	2.9
181.10112	3.6
183.08046	3.1
183.11696	1.0
185.09622	1.6
187.07581	1.5
193.10178	3.3
194.11768	65.8
195.08043	1.0
195.11737	3.5
197.09622	1.6
199.11243	1.3
201.09175	1.1
201.40146	0.9
204.09401	0.8
206.10971	0.7
207.11685	2.6
209.09659	3.5
209.13272	3.7
210.11322	0.9
211.11215	1.0
213.09027	0.8
217.10278	1.4
218.11104	1.1
219.11737	4.6
221.09695	2.9
221.13216	0.8
222.10506	1.0
223.11223	4.7
225.12717	0.9
233.13130	1.3
235.11226	3.2
237.12770	6.1
239.10643	1.3
241.12314	3.1
243.11842	0.9
246.10349	1.2
247.11266	3.3
249.12740	2.7
251.10599	1.1
251.14319	1.0
252.12254	1.2
253.12340	1.5
255.13843	1.1
261.12683	2.5
265.12091	5.1
279.13873	4.4
283.13364	4.5
284.35852	0.7
295.13474	1.0
297.14944	1.6
307.13235	3.4
313.14313	0.8
325.14313	8.5
343.15479	3.1
351.16516	0.7
367.15402	0.9
385.16510	3.2
436.04404	0.8
445.18616	1.5
513.29034	0.8
607.23883	0.9
800.34747	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	800.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.8
69.37199	1.2
72.04510	7.5
79.05476	2.0
91.05479	42.7
93.07034	1.6
95.04939	2.5
103.05485	1.2
105.06998	1.8
107.04932	2.9
109.06512	2.7
113.31757	1.2
119.04955	15.1
119.08541	2.1
121.06477	2.9
123.08026	1.3
131.08496	2.1
133.06471	2.5
133.10123	1.8
134.09650	100.0
135.08058	2.5
143.08549	2.0
145.06516	1.9
145.10144	1.8
147.04414	6.9
147.08093	4.8
155.08626	1.3
157.10153	2.8
159.08052	4.5
161.05960	1.3
161.09613	1.7
163.07480	1.7
164.10690	6.4
167.08524	1.1
169.10159	1.7
171.08031	1.7
173.09601	2.0
179.08640	1.4
181.10059	2.6
183.07983	1.6
183.11751	1.7
185.09573	2.7
192.10396	1.6
193.10179	1.9
195.08037	1.8
195.11726	5.0
196.08795	1.4
197.09561	1.9
199.11177	1.4
205.10109	1.9
206.10928	1.3
207.11720	1.8
209.09645	1.2
209.13191	1.4
210.11250	53.2
211.11122	2.1
218.10974	1.5
219.11745	1.2
220.12360	1.4
221.09566	2.1
221.13289	2.1
223.11263	4.6
225.12769	1.8
233.09702	1.8
235.14804	2.4
248.11981	1.5
249.12791	1.7
252.12277	12.3
263.14267	4.6
279.13861	2.5
281.15292	4.6
291.13864	6.4
309.14911	5.7
313.55655	1.4
321.14813	1.2
327.15900	4.4
369.16751	2.2
452.15610	1.3
509.22052	1.4
578.27258	6.3
620.28259	11.8
638.28973	2.2
680.31195	13.6
698.31836	5.6
740.32520	6.4
800.34692	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81477	10.6
66.79042	9.2
72.65148	13.1
79.05486	22.6
81.43676	10.7
83.04967	14.4
85.02849	10.4
88.53303	10.5
91.05486	19.3
93.07027	19.0
95.39391	10.2
103.69388	11.2
105.07011	26.1
107.04955	16.2
110.72799	11.5
119.04926	55.7
119.08553	18.1
121.10121	16.6
130.07722	10.0
131.08598	12.7
133.06487	25.9
133.10088	13.7
135.08066	17.8
143.08588	14.7
143.51050	10.8
147.04446	46.4
155.08504	18.3
173.09578	18.8
175.11140	12.8
189.05498	78.6
195.70020	10.6
197.13206	16.4
205.12317	25.5
207.11688	20.9
219.11737	13.5
234.13989	13.7
249.16286	18.1
264.14441	12.3
267.17310	21.4
277.15982	55.6
295.16855	88.2
313.18002	84.5
355.19055	100.0
519.23737	45.2
561.24677	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29543	1.1
72.04504	7.9
79.05456	2.2
81.03420	2.1
83.60826	1.4
85.02957	1.4
91.05481	40.9
93.07047	2.2
95.04948	2.1
105.07035	7.1
107.04945	2.6
107.08588	2.2
109.06519	2.7
119.04942	18.8
119.08590	5.2
121.06538	3.2
123.08079	1.6
129.07004	1.5
131.08577	2.3
133.06471	2.4
134.09653	100.0
137.06003	1.5
143.08546	5.2
145.06439	1.6
145.10117	1.7
147.04420	6.3
147.08052	3.2
155.08498	2.8
157.10197	1.3
159.08043	1.9
161.05884	1.7
161.09605	2.1
164.10706	8.9
165.05424	1.5
167.08589	1.4
169.10146	3.3
171.08017	1.4
173.09663	5.1
179.08734	1.9
181.10123	2.4
181.71600	1.3
183.11691	3.3
185.09612	2.7
189.09088	1.5
193.10246	2.5
195.11665	2.5
197.09531	2.3
197.13341	2.0
199.11096	1.5
201.09113	2.2
206.10960	1.7
207.11700	1.9
210.11261	46.6
211.11203	2.6
220.12360	1.7
221.09720	1.4
221.13255	2.2
223.11183	2.4
225.12747	2.1
233.09589	2.9
235.14940	1.7
247.11172	1.7
248.12025	1.4
252.12431	11.4
261.12561	2.1
263.14316	5.1
279.13831	3.1
281.15399	2.1
291.13782	2.2
309.14758	2.7
327.16052	2.0
369.17142	2.7
401.19562	1.7
578.27155	6.8
613.30701	1.5
620.28424	10.6
680.30450	13.4
681.95325	1.7
698.31091	8.0
740.31610	1.6
800.35077	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25101	0.8
57.33820	0.8
79.05500	6.7
91.05480	1.7
95.04931	3.3
96.01349	0.7
97.06528	1.5
103.05447	1.7
105.07050	1.2
107.04955	70.6
109.06506	6.9
113.06018	1.8
117.07008	1.3
119.04939	1.2
121.06519	1.2
123.04423	1.3
123.28892	0.9
125.06001	4.6
129.06982	1.2
131.04915	7.4
133.06477	1.3
134.09644	7.3
137.05981	1.4
139.07552	1.3
141.07059	0.8
143.08615	1.3
145.06488	4.7
146.01024	0.9
149.05981	18.7
151.07530	0.9
153.06944	0.9
155.08577	1.9
157.06497	1.7
159.08025	1.0
161.05992	1.0
163.07561	1.3
165.07007	1.1
167.08578	1.7
169.06522	1.0
169.10147	0.9
171.08093	1.0
179.08528	1.3
181.08607	1.8
181.10127	3.2
183.08090	1.9
183.11754	1.4
185.09586	1.2
187.07486	1.5
193.10164	4.6
194.11766	61.0
195.08084	1.3
195.11794	4.5
197.09654	1.4
199.07576	0.9
201.09128	1.2
203.08743	0.7
207.11676	1.9
209.09673	1.8
209.13287	3.1
211.11211	3.2
213.08981	0.9
213.12714	1.1
213.41208	0.8
218.10989	1.5
219.11745	3.5
221.09717	1.5
221.13351	1.3
222.10541	1.3
223.11215	5.0
223.14998	0.8
227.84384	1.0
233.13428	1.4
235.11230	4.2
237.12753	5.4
239.10733	1.4
241.12318	1.7
247.11212	3.5
249.12779	2.0
251.10814	0.8
251.14467	1.2
253.12242	1.8
255.13884	1.5
261.12915	1.7
263.10709	0.9
265.12286	5.1
267.13962	1.0
279.13782	1.9
283.13300	5.2
307.13275	3.1
307.32727	0.9
313.14511	1.1
325.14468	7.5
343.15442	3.5
367.15326	1.5
373.16724	0.9
385.16470	4.5
445.18576	1.3
487.20044	1.5
607.23560	1.2
800.34827	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	800.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.1
69.86414	1.0
74.06075	2.2
77.82238	1.0
79.05484	2.5
81.07033	1.1
91.05491	1.9
93.07082	1.0
100.57557	1.1
102.30684	1.1
103.05482	10.8
105.07037	21.1
107.04958	15.9
107.08595	1.4
110.58784	0.9
117.07023	1.4
119.05978	1.1
119.08567	5.2
120.08099	100.0
121.10133	2.4
131.03949	1.8
131.04927	45.6
131.08572	1.5
133.06458	1.3
133.10126	6.2
143.08543	4.3
145.10110	5.1
147.08128	2.6
149.05989	5.0
149.09612	1.2
155.08478	1.7
157.10152	5.5
159.08067	2.0
161.09612	2.4
162.09134	4.7
167.08597	1.5
169.10104	4.2
171.11668	4.3
179.08537	3.9
180.10283	10.9
181.10132	5.7
183.11687	6.9
193.10110	2.5
194.10875	1.2
195.11678	6.9
197.13345	1.8
205.10158	2.0
206.10875	2.0
207.11824	4.2
208.12462	1.4
209.13231	10.2
211.14816	5.6
219.11661	9.9
220.12436	2.6
221.13248	7.4
223.11122	2.3
231.11696	11.9
232.12447	2.1
233.13205	2.2
235.14824	5.0
236.15573	1.6
237.12740	4.7
237.16292	2.6
246.14003	19.2
249.16418	1.5
251.17934	4.9
261.16370	42.0
269.18866	1.3
279.17471	13.9
297.18402	2.1
303.05542	1.1
321.18411	4.7
339.19519	2.4
381.20612	1.5
399.21603	4.7
418.12915	1.2
500.27945	1.6
514.06934	1.2
518.29584	1.2
560.29810	5.0
578.31390	1.8
620.32196	6.0
638.33380	7.5
663.70544	1.2
680.34204	12.1
698.35278	2.4
740.36444	40.5
800.38647	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99735	0.9
67.05499	1.0
69.07092	1.1
74.06080	3.9
79.05502	5.7
81.07064	1.4
87.18599	0.9
91.05484	4.6
93.07033	1.7
95.04988	1.4
95.08598	1.6
103.05473	12.6
105.07037	19.2
107.04964	14.4
107.08564	4.0
107.29965	1.0
119.08565	4.6
120.08105	100.0
121.06531	1.7
121.10138	2.1
123.08093	1.4
131.04927	41.8
131.08588	4.5
133.10129	6.2
135.08052	1.6
143.08530	4.3
145.10120	4.4
147.08076	2.2
149.05975	3.9
155.08534	4.2
157.10130	3.8
159.08063	1.2
159.11708	1.7
161.09616	1.4
162.09132	5.1
167.08473	1.5
169.10120	1.7
171.08115	1.1
171.11754	1.8
179.08525	2.2
180.10262	12.0
181.10120	4.5
183.11702	4.0
192.09386	1.3
193.10081	1.9
194.10947	2.0
195.11729	5.1
196.12405	1.2
197.13309	1.6
204.09212	1.1
205.10080	2.0
206.10933	2.0
207.11713	5.9
208.12431	1.0
209.13251	9.4
211.11288	1.0
211.14803	4.5
213.12823	1.0
217.10097	1.2
218.10945	1.5
219.11659	7.9
220.12488	2.1
221.13289	6.0
223.11186	1.5
223.14781	1.1
231.11674	13.5
232.12566	1.5
233.13251	1.7
235.14725	3.8
236.15555	1.4
237.12785	6.0
237.16386	2.3
245.13249	1.3
246.14012	19.6
249.16435	1.2
251.17987	4.6
261.16354	32.5
261.18964	1.6
263.18042	1.2
279.17383	14.2
297.18500	5.2
321.18472	3.6
339.19507	4.2
381.20203	1.4
399.21976	1.8
484.21088	1.0
500.27771	2.2
560.29962	2.0
578.31030	2.0
620.32001	5.9
638.33942	6.6
680.34338	10.2
698.34576	1.8
740.36285	34.9
800.38708	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	801.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06084	0.5
85.72080	0.3
90.08096	0.3
91.05467	1.9
92.18494	1.0
94.92205	0.4
104.29906	0.4
114.09177	0.7
119.07296	0.5
132.08086	0.5
134.09650	100.0
142.25607	0.3
142.80368	0.3
143.08571	1.5
180.10190	2.5
216.13913	1.5
234.14870	6.2
244.13309	38.4
262.14352	13.6
278.20880	0.4
280.15491	0.5
362.19565	2.4
371.74887	0.4
452.98868	0.4
523.28381	0.5
541.29102	1.4
703.28076	0.5
757.27777	0.5
784.41528	25.3
802.42407	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	801.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94942	2.4
73.02917	2.6
76.36104	2.5
79.05489	2.4
81.07076	3.4
85.02905	4.4
91.03953	3.9
92.18529	4.3
93.07039	3.3
126.02246	2.7
181.89423	2.9
217.88666	2.5
220.73502	2.5
229.60046	2.6
236.67816	2.6
316.34085	2.7
464.58383	3.2
491.25708	4.1
801.47620	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	802.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.0
62.06079	1.0
67.60737	0.5
74.06078	100.0
76.08912	0.5
76.10271	0.4
76.48822	0.4
79.05479	0.9
80.35384	0.4
82.06061	0.5
91.05475	34.1
92.18640	0.5
95.04945	1.2
97.06539	0.8
103.05477	0.9
105.07037	1.3
107.04975	0.7
109.06496	2.1
113.05966	2.1
117.06979	1.2
119.04938	9.6
119.08582	0.7
120.08048	0.6
121.06492	0.9
123.04393	2.1
125.05959	1.2
129.06981	2.8
130.75807	0.7
131.04941	0.6
132.08052	2.3
133.06488	1.2
141.06981	0.9
145.06456	2.3
147.08047	2.2
150.09108	5.7
151.07591	0.7
155.08530	0.9
157.06461	0.5
158.72823	0.5
159.08043	1.1
165.06972	0.7
166.07735	0.6
167.08517	1.0
169.06448	1.0
169.10118	1.1
171.08002	2.2
173.05991	0.6
178.08691	0.8
179.08510	1.1
180.09308	0.7
181.08604	0.7
181.10130	2.7
183.08011	1.3
183.11700	0.9
185.09607	0.8
187.07542	0.6
192.10333	4.1
193.10155	2.8
195.11720	2.7
197.09613	1.0
197.13422	0.5
199.11185	0.6
201.09093	0.6
204.09343	0.6
205.10072	0.7
206.10919	1.1
207.11732	3.0
209.09616	2.7
209.13219	2.8
211.11143	2.1
213.09181	0.6
219.11652	1.1
220.09659	4.1
221.09583	0.8
221.13106	0.9
223.11151	2.4
225.12813	2.1
226.10704	0.8
235.11252	2.4
237.12608	3.6
238.10722	50.4
239.10681	0.6
241.12239	1.9
247.11153	1.1
249.12827	0.9
253.12206	3.0
265.12238	3.2
267.13803	1.9
271.13284	0.7
277.12396	0.7
279.13602	0.7
283.13327	0.8
295.13293	6.9
307.13260	0.7
313.14212	4.2
325.14273	6.9
343.15283	1.2
355.15363	3.4
373.16364	1.9
385.16486	3.0
403.17410	0.6
415.17435	2.4
445.18500	0.8
487.19604	0.9
565.22559	2.6
784.31982	0.9
802.33160	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	802.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36424	1.6
65.03939	2.7
67.05501	1.9
69.03420	3.3
69.07071	2.7
78.44007	1.7
79.05486	2.0
81.07032	7.6
88.07603	2.2
89.86436	1.8
91.05473	66.4
93.07053	3.0
95.04949	3.9
95.08575	4.5
98.99351	2.1
105.07001	14.8
107.04926	3.0
107.08582	9.8
109.02847	1.8
109.06507	4.3
117.07053	4.1
119.04928	16.4
119.08559	10.3
121.06487	11.0
121.10131	10.6
123.08071	2.3
131.08601	3.1
133.06470	8.1
133.10106	9.0
134.08630	3.5
134.09644	93.2
135.04411	2.3
135.08047	9.1
137.09674	3.1
143.08553	7.5
145.06464	2.7
145.10110	3.8
147.04385	13.8
147.08000	3.4
148.11227	2.5
149.05940	3.1
149.09627	4.0
151.07593	2.4
151.11182	3.2
155.08534	2.9
157.10117	9.2
159.08069	12.6
159.11678	9.7
161.09615	8.6
163.07533	3.5
164.10654	2.3
169.10114	3.8
171.08023	2.5
171.11670	2.8
173.05914	3.2
173.09563	4.1
175.11143	4.6
177.09166	2.2
177.12778	8.9
179.06963	1.8
181.10100	2.7
183.11690	3.3
185.09581	4.6
185.13254	2.1
187.07562	9.7
187.11176	12.6
193.10104	2.4
194.11818	2.5
195.11688	9.0
197.09557	8.0
198.73705	1.9
198.89119	1.8
199.11137	10.7
201.08987	3.0
201.12924	2.8
203.10606	3.6
207.11703	3.7
208.12634	2.2
209.13202	2.7
210.11237	100.0
210.13229	4.0
211.11253	3.8
213.09113	3.6
213.12744	7.0
215.10690	10.3
223.11122	7.3
223.14841	2.8
225.12749	3.2
227.10660	3.2
227.14366	4.2
229.12271	2.3
235.11150	2.8
236.11963	2.5
237.16357	8.1
241.12335	3.8
241.15817	3.5
247.14868	2.2
250.13469	4.2
250.56932	1.9
251.14227	4.4
252.12399	23.5
255.17448	3.5
261.11298	3.1
265.15915	14.8
269.15228	4.1
275.14572	3.0
283.16898	21.7
293.15262	26.1
311.16360	44.2
325.18045	2.2
329.17538	9.9
353.17465	39.5
371.18661	12.7
395.18265	4.0
413.19583	8.9
455.20471	20.6
580.29102	7.5
598.30536	2.4
622.31628	2.7
640.30914	15.4
700.32861	9.5
742.34662	21.0
802.36279	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	802.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36424	1.6
65.03939	2.7
67.05501	1.9
69.03420	3.3
69.07071	2.7
78.44007	1.7
79.05486	2.0
81.07032	7.6
88.07603	2.2
89.86436	1.8
91.05473	66.4
93.07053	3.0
95.04949	3.9
95.08575	4.5
98.99351	2.1
105.07001	14.8
107.04926	3.0
107.08582	9.8
109.02847	1.8
109.06507	4.3
117.07053	4.1
119.04928	16.4
119.08559	10.3
121.06487	11.0
121.10131	10.6
123.08071	2.3
131.08601	3.1
133.06470	8.1
133.10106	9.0
134.08630	3.5
134.09644	93.2
135.04411	2.3
135.08047	9.1
137.09674	3.1
143.08553	7.5
145.06464	2.7
145.10110	3.8
147.04385	13.8
147.08000	3.4
148.11227	2.5
149.05940	3.1
149.09627	4.0
151.07593	2.4
151.11182	3.2
155.08534	2.9
157.10117	9.2
159.08069	12.6
159.11678	9.7
161.09615	8.6
163.07533	3.5
164.10654	2.3
169.10114	3.8
171.08023	2.5
171.11670	2.8
173.05914	3.2
173.09563	4.1
175.11143	4.6
177.09166	2.2
177.12778	8.9
179.06963	1.8
181.10100	2.7
183.11690	3.3
185.09581	4.6
185.13254	2.1
187.07562	9.7
187.11176	12.6
193.10104	2.4
194.11818	2.5
195.11688	9.0
197.09557	8.0
198.73705	1.9
198.89119	1.8
199.11137	10.7
201.08987	3.0
201.12924	2.8
203.10606	3.6
207.11703	3.7
208.12634	2.2
209.13202	2.7
210.11237	100.0
210.13229	4.0
211.11253	3.8
213.09113	3.6
213.12744	7.0
215.10690	10.3
223.11122	7.3
223.14841	2.8
225.12749	3.2
227.10660	3.2
227.14366	4.2
229.12271	2.3
235.11150	2.8
236.11963	2.5
237.16357	8.1
241.12335	3.8
241.15817	3.5
247.14868	2.2
250.13469	4.2
250.56932	1.9
251.14227	4.4
252.12399	23.5
255.17448	3.5
261.11298	3.1
265.15915	14.8
269.15228	4.1
275.14572	3.0
283.16898	21.7
293.15262	26.1
311.16360	44.2
325.18045	2.2
329.17538	9.9
353.17465	39.5
371.18661	12.7
395.18265	4.0
413.19583	8.9
455.20471	20.6
580.29102	7.5
598.30536	2.4
622.31628	2.7
640.30914	15.4
700.32861	9.5
742.34662	21.0
802.36279	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	802.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74803	1.3
56.07067	1.3
67.05512	2.0
69.03429	2.0
72.04522	1.7
79.05479	3.8
81.07050	6.2
88.07645	1.7
91.05476	58.1
93.07047	3.3
95.04968	3.5
95.08630	2.8
97.06539	1.5
101.41803	1.5
105.07019	11.9
107.04928	6.5
107.08585	5.8
109.02884	2.0
109.06504	6.7
109.10153	1.9
119.04935	23.4
119.08575	9.0
121.06496	11.2
121.10132	7.8
123.08035	3.3
129.06966	1.7
131.08542	5.9
133.06458	3.0
133.10161	9.2
134.09647	100.0
135.08090	3.3
137.09639	2.2
143.08496	2.5
145.06470	2.4
145.10094	3.1
147.04402	15.5
147.08089	6.2
149.05887	2.4
149.09654	3.3
151.07559	2.6
151.11220	3.0
153.55368	1.5
155.08510	2.9
157.10150	6.4
159.08020	11.7
159.11713	7.0
161.05966	2.4
161.09619	8.4
163.07520	2.2
164.10712	6.3
169.10149	3.7
171.08046	2.7
171.11652	3.6
173.09636	3.5
175.07494	2.0
177.05502	3.5
177.09007	1.9
177.12749	7.9
179.06923	1.7
179.08580	1.9
181.10165	3.2
183.11716	2.8
185.09619	7.8
185.13329	1.7
187.07512	2.8
187.11238	8.1
189.09015	2.0
191.07057	2.1
192.09338	1.9
195.08095	2.0
195.11667	8.1
197.09561	2.6
197.13275	3.1
199.11153	7.1
203.10559	2.4
205.08556	2.3
209.09647	2.9
209.13205	2.6
210.11249	99.1
211.11180	3.6
215.10626	9.1
221.13399	1.7
222.13960	2.0
223.11145	2.4
223.14713	2.5
225.12822	1.9
227.14207	1.8
229.12164	1.9
232.12523	1.8
235.11055	2.3
237.12729	2.6
237.16440	2.1
241.12331	2.2
241.15710	1.7
247.14647	1.9
249.12669	1.8
250.13435	2.3
251.14386	2.3
252.12254	21.1
255.17490	6.7
260.12097	1.7
265.15680	10.8
269.15317	1.9
272.06329	2.1
275.14279	2.3
278.12875	1.7
283.16855	20.9
293.15387	23.2
311.16382	43.1
325.18002	2.1
329.17459	3.4
338.61426	1.7
353.17441	25.4
371.18539	17.0
395.18610	3.1
413.19504	8.9
455.20667	18.6
580.29248	2.2
640.31134	17.8
682.31812	2.6
700.32819	9.2
742.33899	24.4
802.36334	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15922	1.4
66.04787	1.6
72.04484	1.7
74.13758	1.7
81.07077	2.2
83.04958	2.5
87.06801	1.6
88.07626	3.1
91.05476	61.6
93.07034	3.1
95.04963	7.5
95.08565	2.1
105.07036	9.9
106.14468	1.7
107.04921	2.3
107.08597	9.1
109.06503	6.7
111.04455	1.8
119.04934	16.0
119.08598	8.5
121.06506	12.6
121.10132	3.7
123.08029	2.4
129.61290	1.6
131.08556	9.6
133.06479	6.6
133.10130	8.2
134.08629	3.2
134.09650	93.5
135.08026	3.1
135.11720	2.0
135.50043	1.4
143.08569	3.9
145.06540	1.7
145.10097	3.8
147.04375	13.4
147.08063	7.5
147.11678	2.1
149.05949	3.8
149.09612	3.4
151.07529	2.6
151.11214	2.8
157.10139	7.5
159.08055	8.5
159.11722	10.5
161.05914	2.1
161.09613	7.5
164.10643	3.0
169.10164	6.8
171.08044	3.5
171.11656	6.2
173.09622	3.5
175.07544	3.6
175.11147	3.2
177.05516	3.1
177.09268	1.7
177.12773	7.3
179.08580	1.5
181.10156	3.8
183.08156	1.7
183.11710	2.7
183.25044	1.6
185.09558	3.3
186.10335	1.5
187.07414	4.5
187.11201	10.3
189.09183	2.2
195.11716	7.1
197.09651	3.8
199.11217	8.5
201.12733	1.8
203.10770	2.4
205.08484	2.0
208.09003	2.0
208.12529	1.8
209.09615	1.9
209.13229	2.4
210.11261	100.0
211.11180	3.0
213.09155	2.8
213.12747	7.1
215.10655	6.7
215.14447	2.3
222.14122	1.8
223.11249	6.7
223.14781	3.5
225.12788	2.2
227.10739	3.4
227.14377	3.2
229.12204	2.2
235.11221	2.5
237.16417	5.8
239.14285	1.9
241.15889	2.2
247.14809	3.0
250.13510	2.3
251.14238	3.2
252.12300	24.0
253.12433	1.8
255.17418	6.9
260.12027	2.2
265.15897	10.3
271.06030	16.1
272.06390	3.1
275.14465	1.8
283.16940	19.4
293.15366	24.1
311.16367	45.2
325.17868	2.5
329.17444	8.3
353.17432	35.7
371.18573	11.5
395.18494	2.8
413.19513	10.6
431.20593	3.0
449.07108	1.6
455.20581	14.3
473.21698	1.8
580.28662	2.7
594.87561	1.8
640.31183	18.1
700.33234	11.1
742.34058	20.0
802.36169	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72047	0.6
68.15389	0.7
70.17229	0.6
72.04513	1.7
79.05480	1.1
81.07043	0.7
88.07621	0.8
91.05473	34.6
93.04722	0.7
93.07034	2.5
95.04956	1.0
97.06586	0.9
103.05463	1.0
105.07016	4.1
107.05013	1.1
107.08585	1.1
117.07001	0.7
119.04930	11.5
119.08562	3.2
121.06509	1.4
129.07047	1.2
131.08578	1.3
133.06502	3.3
133.10033	0.9
134.09651	100.0
135.08038	1.2
143.08505	0.8
145.06499	1.4
145.10098	1.4
147.04413	1.3
147.08063	1.1
149.09631	0.7
155.08563	0.9
157.10110	1.3
159.08038	3.0
161.09578	0.8
162.43709	0.7
164.10687	3.7
167.08485	1.4
169.10081	1.1
173.09532	0.7
179.08553	2.4
181.10135	2.7
183.08055	0.8
183.11595	0.8
187.07603	0.8
192.09206	0.8
193.10126	2.6
195.11717	3.3
197.09557	1.3
205.10059	0.7
206.10948	0.8
207.11719	3.0
209.09573	1.2
209.13217	3.0
210.11246	38.1
211.11357	1.0
213.12598	0.7
217.10104	1.3
221.09642	0.8
221.13361	1.1
223.11331	1.0
225.12656	1.6
232.12448	1.0
235.11191	1.0
237.12659	1.4
237.16452	1.0
247.14754	1.2
252.12273	3.0
253.12224	1.2
265.15909	2.8
275.14365	1.2
281.15253	1.6
293.15372	4.1
311.16443	4.6
325.17905	0.9
325.92572	0.8
353.17398	2.8
371.18442	3.2
413.19598	2.8
538.11945	0.8
570.74219	0.8
622.30719	0.9
640.30865	2.9
682.32129	3.6
742.33899	5.9
802.36163	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	802.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.5
72.04533	4.7
79.05481	0.6
91.05484	22.3
91.24856	0.6
92.17918	1.2
93.07041	0.9
95.04961	0.6
95.08614	0.7
103.05472	1.0
103.68533	0.6
105.07023	2.1
107.04972	0.9
109.06487	0.6
119.04942	8.3
119.08571	2.7
121.06510	1.1
129.07004	0.8
129.59029	0.5
131.04869	0.7
131.08534	0.6
133.06502	0.9
133.10187	0.7
134.09654	100.0
135.08017	1.0
138.11752	0.6
143.08601	2.4
147.04405	6.5
147.08032	0.7
149.09622	1.1
155.08594	1.0
157.10046	1.9
159.08057	1.3
159.11545	0.7
161.05891	0.6
161.09644	0.6
164.10715	7.1
167.08589	0.6
169.10098	1.2
171.07994	1.1
173.09647	2.1
175.11148	0.7
177.09097	0.5
179.08498	1.1
181.10126	1.1
182.10933	0.6
183.11732	0.8
183.36729	0.6
185.09622	0.7
187.11246	0.9
192.10240	1.1
193.10098	2.2
195.11700	1.1
197.09529	0.6
197.13264	0.6
205.10124	0.8
207.11713	3.4
209.13158	1.0
210.11252	27.2
211.11169	0.9
213.12842	0.8
221.13274	0.9
223.11234	0.9
232.12492	1.1
235.11142	1.1
235.14819	0.8
247.14758	0.6
251.14503	0.6
252.12303	6.9
253.12198	1.2
263.14154	0.7
265.15967	0.8
281.15366	0.9
293.15372	3.2
296.71677	0.6
311.16446	3.7
353.17569	0.8
371.18414	1.0
413.19574	1.0
562.27820	0.6
564.25519	0.6
580.28967	3.3
592.28564	1.9
622.30267	7.8
624.28033	0.7
682.32208	9.7
684.12152	0.6
742.34308	2.2
802.35645	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	802.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16371	0.6
58.16680	0.6
58.57949	0.7
69.03403	0.7
72.04498	3.2
77.03932	0.7
79.05481	1.5
91.05478	42.4
91.40815	0.7
93.07037	3.1
95.04970	1.3
99.01490	0.7
103.05450	1.2
105.07023	5.1
107.04948	0.8
107.08604	0.9
109.06516	1.7
119.04937	19.1
119.08564	3.8
121.06512	1.4
129.06978	1.0
131.08554	1.4
133.06490	3.6
134.09654	100.0
135.08034	1.6
135.14769	0.8
143.08572	1.6
145.06488	1.3
145.10147	1.0
147.04411	21.7
147.08087	3.1
147.38620	0.8
155.08562	1.2
157.10086	1.5
159.08057	1.8
161.09622	0.8
163.07463	0.8
164.10707	3.1
167.08557	1.5
169.10135	1.8
171.08125	1.3
173.09705	1.0
175.11171	0.8
178.07704	0.8
178.30310	0.8
179.08510	3.0
181.10098	3.4
183.08052	1.1
185.09627	1.6
193.10190	2.7
195.08093	0.9
195.11703	3.2
197.09750	0.8
204.09259	1.1
207.11703	3.5
208.12497	1.2
209.09544	0.9
209.13249	4.2
210.11253	45.8
211.11349	3.7
213.36047	0.8
218.10974	1.2
219.11737	1.5
220.12447	0.9
221.13266	1.7
223.14996	1.1
224.11967	1.0
225.12738	1.4
232.12540	1.7
235.11107	1.5
235.14799	1.2
237.12675	3.4
239.14449	1.2
247.14879	1.3
251.14130	0.9
252.12276	17.1
253.12279	1.4
253.15756	0.7
256.42853	0.8
265.15921	1.4
281.15247	1.0
293.15387	3.9
295.13364	0.8
297.14581	1.0
311.16422	5.0
353.17285	1.4
371.18439	4.3
413.19440	1.7
548.26410	1.1
584.56976	0.8
608.28632	3.1
622.30310	2.6
640.30933	3.4
682.31744	4.8
724.33777	1.2
742.34662	7.3
802.36285	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	802.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61531	0.5
67.05491	0.5
69.03411	0.6
72.04518	4.4
73.36708	0.4
77.52045	0.4
79.05492	0.6
81.07081	0.5
83.04980	0.6
84.34234	0.4
85.02884	0.5
88.27280	0.5
91.05479	16.6
93.07040	0.7
95.04948	0.6
95.08587	0.7
97.21450	0.5
103.88548	0.4
105.07011	1.8
107.04942	0.5
107.08564	0.6
109.06552	0.6
117.06979	0.5
119.04907	8.1
119.08579	2.3
121.06467	1.0
125.49211	0.6
129.07004	0.5
131.08499	1.6
133.06534	0.9
134.09650	100.0
135.08029	0.6
143.08531	2.2
145.06512	0.5
145.10117	0.8
147.04439	5.9
147.08072	0.6
155.08574	1.0
157.10141	1.9
159.08078	0.8
159.11745	0.5
161.09641	0.4
164.10718	6.8
167.08607	0.6
169.10115	1.0
171.08075	0.6
171.11629	0.6
173.09668	1.9
175.07588	0.6
179.08501	0.5
181.10135	1.0
183.07903	0.4
183.11710	0.7
185.09644	1.1
187.11153	0.6
189.05484	0.5
192.10124	2.2
193.10141	2.5
195.08095	0.6
195.11705	2.1
196.08823	0.4
197.09673	1.0
197.13139	0.4
199.11249	0.5
205.10057	0.5
206.10924	0.5
207.11673	3.5
208.12462	0.5
209.09637	0.9
210.11256	21.9
211.11171	1.7
217.10217	0.9
220.12576	0.9
221.09813	0.7
223.11189	2.0
223.14777	0.7
225.12643	1.5
232.12558	1.0
235.11218	1.9
235.14906	1.8
237.12656	0.9
245.13210	0.7
247.14871	0.9
249.12698	0.9
251.14142	0.6
252.12311	7.7
263.14319	3.6
265.15909	1.1
275.14346	1.9
281.15369	2.1
293.15350	3.4
311.16473	3.4
353.17468	0.9
371.18491	1.9
375.13843	0.5
479.91922	0.6
562.28033	2.1
564.25317	0.5
580.28998	7.1
622.30078	10.1
640.30713	0.6
682.32001	5.4
698.72272	0.5
742.35016	0.6
802.36548	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	802.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71077	1.5
67.05497	1.6
69.03422	2.2
79.05481	3.0
80.41528	1.7
81.07059	3.8
83.04968	2.4
91.05480	47.3
93.07037	2.3
95.04939	3.6
95.08609	2.0
97.77280	1.5
105.07027	12.9
107.04949	3.8
107.08591	3.2
109.02899	3.1
109.06467	2.2
119.04939	15.4
119.08578	7.8
120.17641	1.8
121.06485	11.4
121.10143	3.8
123.08077	2.9
129.06999	2.0
131.08597	2.4
133.06502	3.5
133.10106	6.9
134.09648	79.8
135.08066	2.9
137.09593	1.8
143.08559	3.6
145.06467	6.9
145.10011	2.0
147.04422	13.3
147.08038	3.6
147.11620	2.0
149.05945	1.9
149.09604	2.7
149.13264	1.6
151.07558	1.9
153.60515	1.6
156.09357	2.5
157.10149	3.6
159.08093	7.4
159.11674	6.5
161.05930	2.7
161.09602	8.5
162.06180	1.5
163.07524	3.0
163.11203	2.0
164.10654	2.1
169.10144	2.4
171.08035	1.7
171.11714	6.3
173.09642	7.6
175.07545	3.5
175.11188	2.8
177.05374	2.6
177.09045	2.1
177.12764	7.7
181.10109	5.8
183.11655	1.8
185.09634	2.9
187.07593	2.7
187.11186	9.3
189.09109	3.7
191.06900	1.9
193.10208	2.2
195.11755	7.7
197.09703	2.9
199.11197	7.1
201.09145	3.3
207.11606	2.4
209.13226	2.4
210.11263	100.0
211.11183	2.2
213.09181	2.3
213.12708	3.7
215.10635	7.6
215.14418	1.8
222.14034	2.1
223.11169	5.9
223.14836	3.8
225.09184	1.7
225.12735	3.2
227.14386	2.0
235.11072	2.7
237.16423	3.2
238.13506	1.9
239.14311	2.0
241.12260	5.6
241.15829	6.7
247.14867	2.8
250.13512	3.1
251.14374	6.2
252.12349	21.7
255.17412	6.3
265.15860	10.9
269.15359	2.3
278.13055	3.0
278.71869	1.8
283.16898	23.8
293.15317	22.8
311.16422	46.3
329.17389	7.6
353.17419	33.7
371.18613	10.6
395.18423	2.3
413.19687	11.9
455.20673	12.6
484.48392	1.6
580.28607	2.5
640.31067	20.3
682.32898	2.4
700.32941	8.5
742.34119	20.0
802.36371	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89552	8.1
66.03687	7.2
70.28059	6.4
79.05476	11.1
86.98326	7.4
95.04966	10.7
105.07006	12.3
107.08583	10.1
111.04501	11.0
117.07004	12.0
119.08603	10.4
121.06512	41.0
121.10148	9.4
123.08131	8.2
125.36113	8.7
125.92777	7.5
135.07999	10.5
138.48958	7.2
145.10114	11.8
147.08090	14.2
149.09688	10.5
153.05478	9.3
155.08578	8.3
163.07541	17.2
169.10126	12.0
171.08073	9.5
171.11685	12.3
173.09637	10.8
183.11742	14.1
184.07343	18.7
187.11253	9.7
191.07077	17.3
199.11179	11.5
205.12169	19.3
207.11662	12.0
217.12198	11.3
249.16367	12.9
262.13422	16.0
267.17346	17.2
277.15872	38.3
295.17017	79.3
313.17905	72.9
329.00293	8.0
355.18982	100.0
415.21497	9.0
503.24298	47.3
521.25043	8.0
563.26202	39.1
728.30426	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	802.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83844	1.3
67.05505	1.3
71.08627	14.2
74.68032	1.4
79.05475	1.5
81.03400	2.0
81.07050	3.0
91.05475	43.1
92.18514	1.8
93.07017	6.9
95.04969	8.3
95.08622	1.5
99.08088	12.7
105.03391	56.9
105.04485	1.8
105.07021	5.8
107.08585	6.8
112.11245	6.4
117.05734	7.7
119.04919	15.8
119.08595	6.1
120.08102	24.0
121.06503	6.3
121.10111	2.6
129.07045	1.6
130.12277	100.0
131.08530	6.1
132.08092	55.5
133.06491	7.5
133.10173	3.3
135.08075	1.9
143.08563	1.7
147.04440	2.1
147.07993	2.3
149.05943	2.2
149.09674	5.8
150.07909	2.7
150.09137	61.2
151.07523	1.5
155.08601	2.4
157.06487	1.6
157.10052	1.5
159.08014	3.2
165.06990	2.9
169.10156	2.9
171.07964	2.0
180.09348	1.7
181.10159	2.4
184.07378	6.1
193.10176	5.7
195.11707	5.9
196.09695	28.3
197.09721	1.9
205.10197	2.0
206.11008	1.6
209.13301	2.5
211.11221	3.5
220.12578	2.3
222.10374	2.3
223.11191	3.5
225.09210	1.8
235.14807	1.7
237.12657	2.2
239.10605	1.5
248.12253	1.5
248.16454	37.7
251.14403	2.4
255.13943	1.7
263.14453	2.6
265.12137	1.7
276.15936	76.0
281.15393	7.2
294.16989	48.8
309.14615	11.3
327.16013	15.9
377.92117	1.5
387.18381	1.6
394.48956	1.6
509.21802	2.3
606.91907	1.6
636.01514	1.6
680.33893	1.6
742.35437	2.8
784.36176	3.1
802.37372	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	803.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40552	2.7
57.03432	18.2
57.07083	5.6
57.55984	2.5
60.15805	2.4
66.95176	2.9
67.05517	46.1
69.03397	3.6
69.07059	14.9
73.02882	3.3
79.05494	28.4
81.03413	5.5
81.07055	42.7
83.04973	4.6
83.08614	3.6
85.06525	7.6
90.55904	2.7
91.05479	35.3
93.07046	45.5
95.04976	41.8
95.08614	29.2
105.07021	29.4
107.04945	13.8
107.08580	26.0
109.06514	41.3
109.10102	6.3
111.08036	3.6
113.06026	23.8
117.07012	20.3
117.08474	3.3
119.08586	32.5
121.06499	6.2
121.10128	14.2
129.07036	11.7
131.08589	22.0
133.10138	24.5
135.08044	34.3
135.11688	18.6
135.92793	3.1
143.08588	15.7
145.10110	26.2
147.08044	5.6
147.11652	12.0
149.09575	4.8
149.13234	5.5
157.10187	13.2
159.11739	29.0
161.09627	5.0
161.13216	5.2
169.10052	4.2
171.11671	7.3
173.13268	7.5
177.12669	3.0
183.11694	7.1
185.37558	3.5
187.11206	5.4
217.15797	7.3
241.19527	3.4
259.20609	7.4
273.18466	12.3
279.15875	4.9
291.19473	27.0
333.24271	24.3
347.22296	3.7
365.23111	16.6
605.41595	14.4
623.43024	100.0
641.44104	58.8
695.37616	3.3
695.70776	3.1
803.46191	22.0
812.36395	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	804.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61817	3.3
57.33241	4.3
62.01099	3.3
71.02673	3.3
74.73154	3.3
81.03352	3.5
103.05458	9.6
105.03385	22.1
105.07024	18.3
119.08566	5.4
131.04919	100.0
135.08023	5.0
155.08592	4.5
169.10162	9.5
179.08534	7.0
181.10106	6.6
188.32703	4.2
193.10178	16.5
195.11702	7.9
204.09351	5.7
207.11703	21.1
209.13297	17.3
211.11208	8.8
219.11707	33.1
222.10306	5.9
225.12685	6.3
234.14091	5.6
235.11240	6.3
237.12715	80.6
244.12393	16.3
249.16348	8.9
253.12445	5.1
255.13820	4.6
259.14902	16.4
262.13599	4.9
267.17477	7.1
277.15964	32.0
279.13855	17.3
295.16971	27.2
297.11862	3.9
297.14828	31.4
313.18039	4.8
323.79034	4.1
337.17953	16.1
339.15942	4.5
355.18848	13.6
367.16861	4.0
373.19989	14.1
397.20032	7.9
415.20874	26.6
427.19177	6.5
457.22232	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
105.06985	10.0
123.14173	6.4
131.56436	5.8
133.06502	12.9
143.08559	7.6
147.04378	14.4
156.09253	6.6
175.94989	6.1
189.05424	23.0
207.11842	10.1
229.04723	36.0
256.44406	5.8
277.16083	6.8
295.16885	9.1
321.02240	5.9
359.16168	7.9
377.16959	10.9
419.18030	25.3
421.43301	6.9
437.19595	8.7
479.20404	32.3
523.20923	13.0
565.21631	7.9
583.23053	35.9
625.23950	39.2
643.25067	100.0
685.26184	78.3
703.26740	11.8
745.28394	88.9
805.30646	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	806.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.3
78.53946	1.1
79.05505	1.5
83.04964	1.5
89.62261	1.3
91.05480	36.8
97.06547	1.7
109.06533	5.5
111.08139	1.1
113.05988	2.7
119.04919	8.9
121.06503	2.1
123.04441	1.4
125.05988	2.7
131.08591	1.3
133.06483	2.0
134.09650	40.5
135.04449	2.0
145.06511	1.6
155.08572	1.4
159.08069	1.7
167.08569	1.2
169.06335	1.5
169.10170	1.7
175.07614	1.5
181.08681	1.8
185.09641	2.4
187.07585	1.8
191.07100	1.3
191.63190	1.5
195.08002	1.4
197.09659	2.3
201.09018	1.3
207.11760	1.2
209.09564	1.6
210.11290	23.1
211.07449	1.1
211.11267	2.8
213.09172	1.5
219.11824	1.5
221.09711	1.2
223.11249	6.5
225.09000	2.0
227.10698	2.3
237.12839	2.2
239.10616	1.3
241.12308	2.4
251.10663	2.4
253.12308	2.1
255.10403	1.7
265.12280	5.2
267.58820	1.2
269.11731	2.2
301.14246	1.2
310.37375	1.3
311.12897	1.7
330.18542	1.1
339.12473	1.8
395.86475	1.2
417.15775	1.4
614.54810	1.3
620.01123	1.2
806.32147	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	806.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16050	1.3
67.05508	1.5
74.06078	100.0
79.05476	6.0
81.07065	2.2
91.05470	45.4
93.07046	8.2
95.04967	14.1
95.08594	6.7
103.05452	2.5
105.02673	2.7
105.03387	80.0
105.04487	5.3
105.07019	16.5
107.04967	2.4
107.08554	3.1
109.06493	2.8
117.05701	2.3
119.04948	19.7
119.08552	6.8
121.06473	9.7
121.10159	6.3
123.08025	1.8
131.08557	6.4
132.08090	27.7
132.89680	1.7
133.06473	9.3
133.10094	9.8
135.08080	2.9
141.05487	1.7
142.07735	1.5
143.08620	2.7
145.10144	2.6
147.08051	2.6
147.11705	1.5
149.05978	6.7
149.09587	3.0
150.09126	33.7
155.08640	1.9
157.10056	2.3
159.08043	6.6
160.99692	1.6
161.09637	3.0
169.10103	2.3
171.11690	1.9
173.09680	2.0
175.07527	1.8
177.09087	1.6
178.08704	1.9
179.08554	1.6
183.11665	3.4
184.88414	1.6
185.09590	3.4
192.10211	32.6
193.10043	2.5
195.08009	2.1
195.11682	6.3
197.09569	3.4
197.13087	1.8
199.11131	1.7
206.10916	3.4
207.11734	3.7
209.09557	3.6
209.13274	3.2
211.11203	6.5
220.09679	28.7
220.12317	5.8
221.13303	3.2
223.11145	3.4
225.12814	2.1
235.14790	2.6
237.12729	3.5
238.10736	34.0
238.13054	3.2
248.12050	1.8
249.12770	3.1
251.14195	1.7
253.16071	2.4
263.14313	3.5
267.13965	2.2
281.15372	3.7
285.14923	2.0
291.13824	3.3
309.14990	13.0
327.15857	16.0
328.41943	1.7
345.16995	2.8
351.46591	1.5
369.16858	2.2
387.18069	6.9
405.19107	2.3
495.68909	1.6
509.21652	19.9
569.23383	2.2
655.25317	2.1
761.45972	1.7
774.32642	1.9
778.68335	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	806.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.3
57.47876	1.4
58.82072	1.9
68.88608	2.0
69.03428	2.7
69.17078	1.6
74.06075	34.1
77.03902	2.8
79.05487	4.0
88.29597	1.7
91.05475	40.9
93.07035	7.4
95.04943	17.5
95.08588	3.1
103.05434	2.2
105.03388	100.0
105.04482	2.6
105.07042	15.4
106.06494	3.5
107.04910	2.5
107.08578	4.3
118.06528	23.1
119.04935	21.9
119.08552	2.8
121.06474	11.4
121.10136	10.8
123.08086	3.0
131.08551	4.4
133.06490	11.7
133.10100	12.1
136.07570	33.1
137.06058	2.0
145.06511	3.1
145.10101	2.2
147.04395	11.4
147.08025	2.7
149.05984	10.4
149.09631	7.0
149.36664	1.7
151.07495	2.8
155.08551	2.8
157.10193	2.7
159.08063	7.1
161.09624	3.5
167.07077	3.3
167.08455	2.6
169.10168	2.5
171.08044	3.6
175.07539	2.7
175.11191	1.8
177.05408	2.6
182.08141	12.9
184.51784	1.8
184.91302	1.9
185.09541	2.6
192.10223	13.6
193.10156	2.9
195.11642	4.2
197.09682	3.5
201.09102	2.2
205.10162	2.5
206.10876	3.2
209.09731	2.2
209.13330	3.0
211.11200	2.3
211.14674	2.8
213.08983	2.5
220.09705	8.3
220.12520	2.1
221.07831	1.9
221.13277	2.2
222.10352	2.0
223.11188	3.7
225.12724	2.7
237.12671	3.9
238.10733	50.7
248.15327	1.9
263.14203	7.4
267.13773	3.6
280.15372	2.1
281.15378	10.8
291.13727	3.5
299.16315	3.1
301.27237	1.9
309.14758	15.4
327.15909	18.1
345.16846	3.6
369.16949	3.3
384.90775	1.8
387.17896	7.1
393.09451	2.1
449.19559	8.4
509.21634	24.6
792.10187	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	806.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	3.0
59.93267	1.5
67.05521	1.4
72.08142	3.6
81.43524	1.9
90.09191	11.3
91.05476	100.0
95.04962	2.4
102.88248	1.6
105.03409	20.1
105.04534	1.9
105.07050	7.0
107.04956	6.7
109.06511	1.6
117.06953	2.0
119.04937	20.1
129.07022	1.6
134.09651	82.8
135.08080	18.0
143.08525	2.7
145.10220	1.7
147.04401	3.2
155.08551	11.2
161.09662	1.8
165.07010	7.2
167.08586	15.2
169.10138	7.1
178.07982	2.0
179.08548	18.3
180.09346	9.8
181.10107	9.8
183.11653	1.6
191.08444	1.9
191.10684	5.8
192.09340	6.7
193.10123	7.1
194.10881	22.7
195.11685	11.0
204.09344	10.6
206.10933	2.9
207.11717	11.5
209.11646	2.9
209.13301	29.6
210.11235	89.7
211.11267	3.0
219.11662	12.9
221.13231	5.9
222.10446	8.2
237.12706	18.2
250.67879	1.8
252.12418	2.6
277.15906	2.1
297.14825	7.7
445.44592	1.8
446.23331	9.1
488.24365	2.3
506.25266	53.6
546.57233	1.7
566.27338	2.7
628.19342	3.4
628.28979	60.6
633.02789	2.4
742.41168	2.0
806.45160	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
95.04953	2.1
103.05456	30.5
105.03388	15.2
131.04926	100.0
132.05255	4.4
133.06499	1.9
169.10094	1.3
184.07329	2.5
197.13170	1.5
199.11136	2.7
207.11801	1.4
211.11179	2.6
223.11162	1.2
227.10579	2.3
235.11206	2.6
253.12184	5.9
265.15811	1.8
293.15323	5.1
311.16470	1.2
313.14432	4.8
353.17728	1.4
415.19003	2.8
503.20679	2.3
743.30548	6.4
806.37866	2.4
806.50952	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	806.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65253	0.4
79.05496	4.0
90.78454	0.4
91.05463	0.5
95.04951	2.2
105.03392	28.9
105.07089	0.4
105.35272	0.4
107.04956	63.0
131.24178	0.4
133.06516	0.5
134.09663	3.2
135.08038	0.5
148.69472	0.4
149.05972	16.4
155.08551	0.7
180.09355	0.7
183.11635	0.9
192.09332	0.5
194.11763	100.0
195.11691	0.8
197.13292	0.6
207.11754	0.6
210.11063	0.6
211.11104	1.0
225.12782	1.6
253.12302	0.6
305.10193	0.4
331.13266	0.7
357.15182	0.4
381.07813	0.4
538.89886	0.4
574.66956	0.5
622.11194	0.5
714.82648	0.5
806.44366	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	806.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18425	0.4
79.05516	3.9
105.03379	4.1
105.07059	0.6
107.04951	62.4
118.36281	0.5
134.09694	0.7
143.08493	0.7
149.05972	15.7
157.86818	0.5
169.10190	0.6
181.10098	0.6
183.11668	0.8
194.11760	100.0
195.11729	0.9
197.09534	1.1
199.11227	3.4
207.11615	2.1
209.09674	0.6
211.11122	2.7
225.12787	2.1
227.10657	1.1
241.12326	0.6
313.14383	2.4
349.17676	0.5
464.39691	0.5
798.03735	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	806.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66905	1.0
62.81802	1.0
65.27800	1.0
71.08630	30.4
79.41567	1.2
91.05476	75.8
93.07039	1.9
95.04974	4.7
99.08084	24.1
103.05437	2.1
105.03393	32.3
105.07049	2.4
106.06576	11.5
107.04934	1.9
107.08603	1.5
116.10728	49.2
117.07082	1.3
118.06538	13.5
119.04933	26.7
121.06513	5.9
121.10152	1.9
122.62903	1.1
133.06470	5.0
134.51486	1.2
136.07573	31.9
143.08606	1.4
147.04478	8.4
149.06029	1.8
151.07626	1.7
165.05450	6.2
169.10155	1.8
171.08006	1.7
181.10036	1.4
182.08133	39.9
183.11670	1.7
195.11617	2.6
197.09584	1.9
197.13277	1.8
211.11223	1.9
234.14810	9.2
235.14760	1.4
262.14374	5.4
267.13858	1.4
280.15414	100.0
281.15402	2.5
299.16418	1.8
309.14886	4.0
327.15796	8.8
345.17294	1.6
387.82831	1.4
629.81677	1.5
678.70898	1.2
797.86456	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	806.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80163	3.4
63.11453	4.2
66.38908	4.2
68.38862	3.6
68.44823	3.9
71.08625	23.8
81.07056	4.1
91.05482	79.1
95.04971	6.9
99.08123	35.5
105.03391	38.5
105.07034	5.2
106.06548	6.0
106.50342	4.1
109.06422	4.4
116.10725	53.8
118.06488	6.8
119.04945	18.6
121.06477	4.1
128.01146	5.2
136.07564	32.9
165.05460	6.5
182.08145	39.4
193.10153	4.5
196.60950	4.1
234.14903	7.5
260.02164	4.0
260.88519	4.8
269.70032	4.3
278.84842	4.2
280.15414	100.0
281.15372	4.3
327.15991	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	806.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69790	1.3
63.35892	1.2
63.36273	1.1
65.03933	1.4
77.85430	1.3
90.97899	1.5
91.05476	100.0
95.04942	5.8
105.03389	24.5
105.07019	7.7
118.21369	1.5
119.04938	21.2
124.35409	1.5
129.06998	1.7
133.06496	1.6
134.09651	70.2
155.08536	13.1
165.07037	5.3
166.07779	1.8
167.08560	12.3
169.10132	7.5
178.07726	2.2
179.08524	16.5
180.09369	7.1
181.10138	11.6
191.08603	1.6
192.09341	8.5
193.10136	10.8
194.10843	17.4
195.11670	6.1
197.13373	1.6
204.09373	7.0
206.10870	3.3
207.11684	10.9
209.13239	33.7
210.11241	82.2
219.11720	13.7
221.13243	5.7
222.10390	8.7
237.12697	19.7
239.14351	2.5
251.14064	1.6
297.15012	6.0
446.23352	8.4
488.24008	5.2
506.25342	54.2
506.32849	2.2
566.27234	2.5
628.28986	65.7
628.39301	2.2
688.30463	2.0
802.56415	1.5
806.37189	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	806.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17590	1.5
59.91951	1.2
74.98797	1.3
107.60450	1.3
113.31708	1.4
125.82883	1.9
129.64496	1.4
133.18161	1.6
134.09669	10.4
148.17351	1.4
156.07890	3.1
159.93715	1.4
179.64354	1.6
184.07397	7.6
202.08434	7.6
205.98270	1.6
216.13904	6.1
217.04721	1.9
240.13712	2.0
244.13326	8.7
266.11465	30.0
284.12555	13.8
302.13580	1.7
384.17770	88.3
402.18652	2.0
514.77386	1.7
545.26215	5.7
645.31335	6.2
806.39838	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	806.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16093	0.5
76.82418	0.5
84.65771	0.5
110.14342	0.5
111.43262	0.5
127.95663	0.5
137.61217	0.6
184.07375	2.9
395.39331	0.5
400.73044	0.7
405.28305	0.8
439.26620	0.9
481.31497	1.0
518.36951	1.2
552.34656	3.8
563.38739	1.0
594.40131	2.8
631.45441	0.9
644.40942	0.9
665.43842	9.5
672.40863	0.9
693.43457	0.6
707.48224	2.2
778.51831	10.6
806.51447	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	807.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47926	6.0
65.53788	6.4
115.91091	6.9
119.08574	14.9
151.97064	7.3
189.05212	100.0
190.69127	7.5
197.13319	8.8
207.11732	28.3
229.10179	10.3
234.13945	8.1
240.64310	7.7
244.12592	9.7
249.16441	13.7
259.14697	16.6
277.15869	41.7
295.16986	12.9
340.36923	7.4
350.22186	9.4
419.18140	12.4
461.19165	32.0
521.21344	9.0
577.26746	8.0
585.24640	39.7
627.25348	50.4
645.26648	71.1
687.27765	75.9
705.28510	9.1
747.29230	49.0
807.32190	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03412	1.9
105.03391	11.2
105.06956	2.1
131.04918	23.6
169.10101	9.6
176.69540	1.9
178.07707	3.3
179.08507	2.9
181.10066	2.2
191.08549	7.3
193.10117	2.1
195.11723	3.3
203.08572	3.5
204.09348	42.9
207.11775	2.7
209.13254	10.6
217.10217	2.9
219.11674	100.0
237.12733	18.5
237.59253	1.9
277.15714	3.1
429.69620	1.8
449.17130	3.1
461.85748	2.2
509.19366	30.2
627.25433	3.7
687.27576	30.7
809.31403	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	810.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	1.2
79.05489	4.8
81.03398	0.7
81.07043	1.0
91.05476	10.5
93.07041	1.4
94.13973	0.7
95.04955	5.9
95.08607	0.8
105.03397	100.0
105.04532	3.7
105.07028	3.8
106.06565	0.8
114.34859	0.8
117.06950	0.9
118.06519	6.8
119.04930	3.3
119.08556	2.9
121.06487	1.7
121.10173	0.8
122.06018	30.5
122.06889	1.3
123.04449	0.8
131.08595	1.0
133.06485	3.5
133.10127	1.4
136.07574	1.0
137.09619	1.1
139.03865	1.0
143.08490	1.0
147.04463	0.8
147.08057	3.3
149.06000	0.8
149.09625	0.8
149.16698	0.8
155.08554	0.8
157.10100	1.1
159.08054	1.3
159.11710	0.7
169.10097	0.9
171.11510	0.9
173.09595	1.7
181.10101	1.6
183.11818	0.7
185.09645	2.9
193.10141	1.0
194.10909	1.3
195.11664	1.0
199.11221	1.4
209.09575	1.5
211.11198	1.8
227.10612	1.0
235.14764	0.8
236.11720	1.0
237.12793	1.4
239.10564	1.0
240.10219	9.1
251.14296	1.3
257.11707	1.6
267.13632	1.2
268.09686	2.7
269.15491	0.9
279.13773	1.5
286.10727	28.2
297.14957	2.8
307.13455	1.1
315.15967	1.3
325.14435	4.4
343.15518	1.7
385.16370	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	810.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23997	0.3
61.45996	0.3
67.05497	0.7
67.37077	0.4
68.71442	0.4
69.03427	0.4
72.04498	2.3
73.86883	0.4
79.05485	0.9
88.70078	0.5
91.05479	4.2
93.07022	0.9
95.04964	0.9
105.07047	2.8
105.60816	0.4
107.04949	2.3
107.08591	1.6
108.65823	0.4
109.06490	0.4
118.04850	0.5
119.04939	9.2
119.08527	2.9
121.10148	0.6
129.06992	1.9
131.08543	1.6
133.06491	0.6
133.10141	4.0
134.09647	100.0
135.08051	0.7
140.70087	0.5
143.08536	0.9
145.10081	0.9
147.04405	12.6
147.08066	1.9
147.11717	0.4
155.08543	0.5
157.10085	1.9
159.08078	0.7
159.11717	0.9
161.09645	0.7
163.07536	0.5
165.05515	0.5
171.08009	0.9
171.11682	2.0
173.09628	0.7
175.07416	0.4
181.10132	1.6
183.11691	2.2
183.86142	0.5
185.09618	0.9
187.11235	0.8
189.05446	1.4
189.12590	0.4
192.10172	2.1
193.10178	2.8
194.10959	0.8
195.11717	1.9
197.09688	0.6
197.13205	0.8
199.11229	0.6
201.12764	0.8
206.11105	0.5
207.06409	0.7
207.11693	2.4
209.13298	3.0
211.11252	0.6
217.10059	0.6
218.10948	0.4
219.11716	1.5
220.12450	0.5
221.09657	0.6
221.13275	1.6
223.11057	0.7
225.12772	0.9
229.10104	0.5
234.14053	2.0
235.14948	0.4
236.11942	0.5
237.12790	2.3
244.12355	1.6
246.14005	0.6
247.11275	0.8
247.14728	0.8
249.12692	0.4
249.16370	3.7
250.10847	0.5
251.14246	0.6
252.12270	10.9
252.14830	0.7
259.14706	1.6
262.13565	3.0
265.16055	0.7
267.17462	1.6
277.15878	6.8
279.17419	1.7
295.16910	8.4
297.18524	1.8
313.17947	0.5
332.87634	0.4
337.17987	2.9
339.19543	0.8
340.97226	0.4
355.19147	2.1
397.20087	3.4
399.21762	2.4
539.80115	0.4
648.31543	5.7
708.33276	1.9
810.36462	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	810.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18160	0.8
68.33216	0.7
72.04500	1.3
79.05495	7.4
81.03413	0.9
83.04957	7.9
90.96421	0.7
91.05482	1.7
98.14877	0.8
107.04949	65.1
124.76173	0.9
131.04936	1.6
134.09645	100.0
149.05971	13.2
165.07043	2.0
167.08524	5.9
169.10129	3.7
178.07715	1.0
179.08553	7.5
180.09335	1.7
181.10086	4.6
183.11681	0.9
192.09375	1.3
193.10152	7.1
194.11823	54.3
195.11682	4.9
203.08633	1.3
204.09341	9.0
205.10127	1.7
206.10887	6.0
207.11679	4.9
209.13231	17.7
219.11679	15.9
220.12318	1.1
221.09760	0.9
221.13266	12.0
222.10420	6.9
234.13965	1.1
235.11194	1.4
235.14883	0.9
236.12662	1.0
237.12685	22.1
239.14297	2.0
244.12695	1.1
251.14461	1.6
255.13934	1.2
277.15768	1.2
279.13885	3.8
281.15454	3.8
297.14761	8.4
319.16937	1.0
333.10876	0.9
341.17496	1.1
472.24796	11.8
490.26138	1.8
532.26874	30.7
572.29767	4.4
592.29169	1.5
632.32159	19.8
810.32941	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	812.327
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44783	0.6
77.03912	1.0
79.05504	5.2
91.05476	12.0
95.04945	5.7
95.08631	0.8
103.38314	0.7
105.03389	100.0
105.04523	2.9
105.07023	1.2
107.08617	0.7
118.06544	5.8
119.04925	4.1
121.06467	1.6
122.06018	50.6
147.08110	0.8
149.09691	1.0
159.08089	0.8
161.09671	0.8
167.99457	0.6
211.11084	1.0
235.04272	0.7
240.10152	5.5
243.13609	0.7
248.12030	0.8
267.13849	0.9
268.09760	3.2
269.89526	0.8
281.15442	0.9
286.10709	39.6
299.16309	0.9
309.14752	2.8
327.16013	4.0
386.31912	0.8
463.81790	0.7
538.47919	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	812.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74620	0.5
67.05490	0.9
73.78451	0.5
77.03934	0.6
79.05495	4.7
91.05476	13.5
93.07047	0.7
95.04965	5.7
105.03392	100.0
105.04528	3.2
105.07011	1.4
106.03719	3.4
107.31628	0.6
118.06569	5.4
119.04928	4.0
119.08599	0.7
121.06485	1.2
121.10114	0.8
122.06023	46.0
123.06358	0.8
123.07987	0.8
133.06476	2.3
133.10065	0.8
136.07515	1.2
147.08107	0.9
149.05989	1.0
150.14301	0.6
153.70482	0.6
159.08028	0.8
161.05994	0.8
161.09665	1.1
163.07555	0.8
171.11790	0.8
175.07614	0.9
177.09218	0.6
193.10187	0.7
195.11626	0.6
196.08925	0.8
197.09651	0.7
198.10417	0.7
211.11328	0.8
223.11153	0.6
226.10049	0.7
235.14870	1.0
237.12772	0.7
240.10133	4.7
248.11922	1.1
259.55634	0.5
268.09683	2.8
281.15250	1.2
286.10715	41.2
287.10718	0.6
309.14771	2.2
327.15836	2.8
513.75836	0.7
708.72766	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	812.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04501	1.6
77.40295	0.3
79.05477	1.1
80.19108	0.3
88.07616	0.6
91.05483	1.4
93.07002	0.4
95.04962	0.7
97.06541	0.5
105.07013	1.5
107.04941	3.7
107.08575	0.4
109.06503	0.3
119.08564	1.1
121.10133	0.4
131.04913	2.8
131.08513	0.4
133.10123	0.7
134.09651	100.0
135.08037	0.4
137.09566	0.4
143.08572	1.4
145.10194	0.4
147.08046	1.3
149.05965	0.5
149.09578	0.4
153.05511	0.4
155.08542	0.5
157.10175	0.6
159.08076	0.3
159.11707	0.5
159.50874	0.3
161.09561	0.5
167.62082	0.3
169.10011	0.3
171.11652	0.5
173.09570	0.4
173.13165	0.3
177.12764	0.5
182.11082	0.3
183.11798	0.4
185.09584	0.4
186.43188	0.3
187.11139	0.3
193.10260	0.3
194.11781	4.3
195.11775	0.5
197.09689	0.6
197.13203	0.3
199.11281	0.3
207.11729	0.6
209.13235	0.6
211.11177	0.4
213.12706	0.4
219.11841	0.4
221.13193	0.3
223.11198	0.3
225.16098	0.3
235.14606	0.3
236.12920	0.3
237.12762	0.3
249.16321	0.4
262.13611	0.5
267.17465	1.2
277.15866	1.5
295.16971	3.4
313.18027	1.8
337.18027	1.3
339.19720	0.4
355.19086	2.8
372.35150	0.3
397.20154	1.8
399.21713	1.4
415.21005	0.5
483.18182	0.3
499.23212	0.3
590.31006	5.2
608.31934	0.5
650.33264	4.8
710.35223	0.6
752.36084	1.8
765.58630	0.5
770.81134	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	812.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04489	1.6
79.05508	0.7
81.07026	0.6
91.05460	1.9
93.07021	0.4
100.59021	0.3
101.00674	0.3
103.05460	0.8
105.07022	2.3
107.04955	5.1
107.08548	0.4
116.09107	0.3
118.06488	0.3
119.04952	0.7
119.08543	0.4
121.06499	0.4
121.10043	0.4
129.07085	0.5
131.04919	6.8
131.08513	0.4
133.10167	0.5
134.09644	100.0
135.08006	0.4
136.46277	0.4
143.08549	1.4
145.10141	0.5
147.04408	1.9
149.05954	0.7
155.08607	1.2
159.08078	0.8
169.10133	0.8
171.08072	0.5
171.11682	0.7
175.11111	0.4
179.08504	0.4
181.10107	0.7
183.11693	0.4
185.09586	0.6
187.11165	0.5
192.09254	0.4
193.10158	0.7
194.11769	4.6
195.11670	0.4
197.09601	0.6
197.13263	0.6
199.11154	0.8
207.11682	0.7
209.13335	0.4
211.11169	0.7
221.13228	0.4
223.11284	0.5
225.12759	0.6
234.14038	0.5
244.12576	0.4
249.16360	0.7
252.12228	2.3
253.15984	0.5
262.13690	0.4
267.17386	0.7
277.15826	1.6
295.16953	3.2
313.17905	1.7
337.18112	0.6
355.18994	1.5
444.34479	0.3
603.57007	0.3
640.58105	0.4
650.32990	0.7
812.23083	0.7
812.38263	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99584	0.4
72.04505	2.3
79.05482	0.5
85.02900	0.3
88.07590	0.5
88.56039	0.3
90.79341	0.3
91.05469	1.9
95.08646	0.4
97.06580	0.3
99.51094	0.3
99.85623	0.3
103.05443	0.8
105.07030	0.7
107.04951	3.6
107.08604	0.8
109.06507	0.5
119.08531	0.8
123.08080	0.3
128.06233	0.4
129.06998	0.5
131.04944	5.1
133.10159	0.6
134.09648	100.0
135.08012	1.3
137.09702	0.4
143.08553	0.8
145.10121	0.7
149.06012	1.2
155.08521	0.6
157.10100	0.5
159.08052	0.6
159.11693	0.4
169.10086	0.7
171.07965	0.5
171.11681	0.7
172.31522	0.4
173.09605	0.8
181.10141	0.5
183.11702	1.4
185.09564	0.5
185.13232	0.4
187.11171	0.6
193.10106	0.5
194.11765	4.5
195.11650	0.5
197.09619	0.4
197.13310	0.5
198.35358	0.4
199.11205	1.2
199.12883	0.4
207.11710	0.8
209.13272	0.9
211.11226	0.8
211.14716	0.4
219.15346	0.4
221.33968	0.4
223.14841	0.5
225.12657	0.6
234.14044	0.5
235.11127	0.4
235.14836	0.4
237.12770	0.5
249.16408	1.6
259.14917	0.6
262.13550	0.5
267.17511	1.5
277.15906	2.3
285.18484	0.6
295.16833	3.5
313.17990	1.8
316.23389	0.3
337.18066	0.6
355.19003	0.8
415.21146	0.5
608.32178	0.4
752.35980	0.5
778.63965	0.4
812.38452	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	812.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85254	0.7
58.01897	0.7
72.04491	0.9
91.05479	9.9
105.07014	1.8
115.05392	0.8
119.04928	56.0
119.08556	3.6
124.50452	0.7
131.08583	1.2
133.06467	3.7
133.10114	0.9
134.09642	35.5
134.10634	1.6
143.08571	1.8
145.10088	0.9
147.04391	100.0
149.09624	1.0
164.26248	0.8
165.05473	1.8
189.05371	6.1
195.11647	3.2
206.10815	1.0
207.06564	3.2
207.11642	1.2
210.11206	1.3
218.10927	0.9
219.11674	1.4
220.12296	0.9
221.13336	1.5
230.76784	0.9
231.11694	6.1
237.12793	1.2
246.13960	6.6
251.18013	1.0
252.12277	91.4
261.16351	6.9
263.17847	0.9
279.17215	7.2
294.13156	3.0
304.58252	0.7
321.18292	1.3
339.19617	1.9
479.79382	0.8
537.66809	0.8
542.46295	0.8
572.30188	1.7
629.57996	0.8
692.34082	1.8
710.34741	1.0
752.36139	1.3
812.38159	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	812.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63342	0.5
66.41413	0.4
66.93877	0.5
69.07068	0.7
72.04501	1.2
79.05473	1.0
81.07046	0.6
91.05487	10.4
93.07033	0.7
95.04967	0.8
95.08554	0.7
99.10087	0.5
103.96082	0.5
105.03395	16.7
105.07042	2.8
107.08556	1.0
115.09734	0.5
116.65920	0.5
118.06575	0.8
119.04940	63.1
119.08582	1.0
121.06459	0.7
122.05993	5.3
126.76642	0.5
131.08588	1.2
133.06493	2.4
133.10115	0.8
134.09660	38.9
135.08104	0.6
143.08597	2.6
145.10075	1.8
147.04408	100.0
148.11214	0.8
155.08585	1.0
157.10124	1.1
159.08012	0.7
159.11760	0.7
161.09563	0.6
165.05539	3.8
165.06752	0.5
171.11684	0.8
173.09680	0.7
180.09274	0.7
181.10114	1.0
183.11757	0.7
189.05505	5.6
192.10182	0.8
193.10175	0.5
194.10945	0.9
195.11656	2.1
204.09312	0.6
206.10950	1.8
207.06523	3.1
207.11725	0.8
209.13326	2.3
210.11252	2.7
219.11667	2.3
220.12477	0.9
221.13194	1.9
222.28587	0.5
223.11264	0.6
231.11693	5.3
232.12427	0.8
233.13255	0.8
235.14757	1.0
237.12627	1.2
237.16417	0.8
240.10410	0.8
246.13994	6.4
251.18011	0.9
252.12299	86.8
261.16397	8.1
263.17941	2.2
279.17465	6.9
286.10693	5.4
294.13351	3.4
297.18549	2.1
299.20062	0.6
321.18604	2.0
339.19669	2.4
572.30212	2.3
692.34387	0.7
710.34955	1.2
752.35156	1.0
812.38220	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	812.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80444	0.7
64.30762	0.6
65.03917	0.6
67.99020	0.6
91.05473	9.9
92.17797	1.7
95.08640	1.1
105.03396	1.6
105.07025	0.9
119.04931	55.3
119.08569	1.2
122.06006	1.5
131.08583	0.8
133.06502	1.1
133.10138	1.2
134.09656	36.0
139.15184	0.6
143.08575	3.2
147.04402	100.0
148.11214	1.1
155.08612	1.4
157.10118	0.9
159.08069	0.8
165.05501	3.2
167.08633	0.8
181.10103	1.2
183.11583	0.7
189.05424	7.4
195.11667	1.6
206.10840	1.3
207.06476	1.5
209.13214	1.3
210.11212	1.3
217.10214	0.9
219.11592	1.3
221.13242	1.2
231.11722	4.2
233.13313	1.1
236.15407	0.7
237.12657	1.1
246.13983	6.0
251.17906	0.8
252.12279	77.7
261.16379	10.0
263.17838	1.3
279.17300	5.1
294.13339	2.6
321.18274	1.2
339.19543	1.6
523.37018	0.7
558.30695	0.8
572.29779	1.6
590.30853	0.8
608.49298	0.8
650.32745	0.8
731.84595	0.8
752.36017	2.6
812.38428	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	812.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40137	0.2
72.04496	1.3
79.05481	1.2
85.02911	0.5
88.07629	0.3
91.05498	2.0
93.07019	0.3
95.04939	0.4
95.08582	0.3
97.06483	0.3
103.05470	1.7
105.07044	0.9
107.04948	4.4
107.08599	0.6
109.06484	0.5
119.08563	0.5
121.06495	0.5
121.10193	0.3
123.08052	0.3
126.79660	0.3
131.04922	6.1
131.08546	0.6
133.10155	0.5
134.09653	100.0
135.08046	0.6
143.08585	0.5
145.10173	0.5
147.08118	1.1
149.06029	0.6
149.09636	0.4
151.07619	0.4
151.81238	0.3
155.08492	0.5
157.10181	0.3
159.08084	1.0
161.09576	0.6
163.07539	0.3
167.08557	0.3
169.10114	1.3
171.11739	1.4
173.09659	1.4
175.11241	0.3
176.10663	0.4
181.10190	1.0
183.11699	1.2
185.09659	0.4
194.11780	4.1
195.11725	0.4
197.09683	0.5
197.13240	0.3
199.11221	1.1
203.45850	0.2
206.11018	0.3
207.11790	0.9
208.12456	0.3
209.13426	0.4
211.11194	0.4
211.14789	0.5
213.12813	0.6
217.12358	0.3
219.11670	0.5
223.11227	0.4
225.12651	0.9
225.16426	0.5
234.14049	0.5
235.11151	0.5
237.12801	0.5
239.14264	0.4
249.16380	0.6
251.14351	0.4
253.15903	0.4
262.13516	0.5
267.17514	1.5
269.15295	0.4
277.15848	1.8
295.16867	3.2
313.18079	1.7
337.18045	0.4
355.19180	1.4
397.20374	0.4
415.21616	0.4
457.22458	0.3
562.64600	0.3
606.46173	0.3
752.36108	0.6
812.38489	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	812.385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84119	0.4
72.04505	0.7
79.05476	0.8
81.07053	0.4
82.07197	0.4
83.04961	0.4
84.43182	0.4
88.07615	0.7
91.05475	0.9
93.07034	0.7
105.07085	0.5
107.04955	4.2
107.08580	0.5
114.28741	0.4
117.06992	0.4
118.06499	0.4
119.08578	0.7
131.04939	2.3
131.08563	0.9
133.06474	0.6
133.10123	1.7
134.09650	100.0
135.08102	0.4
143.08508	0.4
145.10112	0.5
147.08064	0.4
149.05951	0.6
149.09590	0.7
155.08517	0.6
159.11671	0.6
171.11731	0.8
173.09651	0.7
175.07597	0.5
187.11221	0.5
194.11723	3.7
195.11810	0.5
197.13319	0.6
199.11099	0.5
205.12274	0.7
207.11710	0.7
211.11026	1.3
232.33705	0.4
237.12794	0.5
249.16368	0.7
267.17453	0.8
277.15964	1.4
295.16934	2.3
297.18439	0.6
313.17917	1.6
339.19614	0.4
355.19119	2.1
397.19992	0.9
399.21524	0.5
539.25568	0.4
578.10651	0.4
590.30957	3.7
650.32825	3.3
752.36304	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	812.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91071	0.3
71.57838	0.3
72.04507	1.2
77.62750	0.3
79.05493	0.7
81.07043	0.3
81.75464	0.3
88.07635	0.7
91.05460	2.2
93.07038	0.4
95.04949	0.4
95.08627	0.3
95.69050	0.3
103.05449	0.4
105.07039	0.7
107.04963	4.2
107.08542	0.4
111.04478	0.5
117.07040	0.4
118.06519	0.3
118.33524	0.3
119.08583	1.5
121.06503	0.4
121.10146	0.6
125.48615	0.3
131.04889	2.2
131.08553	0.6
133.10120	0.7
134.09654	100.0
135.08081	0.6
143.08510	0.5
145.10193	0.5
147.08075	0.4
149.05988	0.6
149.09601	0.4
157.10126	0.7
159.08058	0.4
159.11679	0.4
169.10133	0.4
171.11736	0.4
173.09589	0.5
175.07600	0.4
176.10779	0.3
183.11707	0.7
187.07545	0.4
193.10132	0.5
194.11763	4.6
195.11632	1.2
197.09586	0.4
197.13403	0.4
205.12273	0.3
207.11758	1.0
211.11276	0.4
211.14828	0.4
219.11780	0.5
223.14742	0.4
225.12842	0.6
236.12840	0.6
237.12891	0.5
249.16446	1.2
253.15747	0.4
259.14905	0.4
262.13477	0.5
267.17532	1.2
277.15921	1.7
295.16943	2.9
297.18530	0.6
313.18018	1.3
339.19376	0.4
355.19055	1.5
397.20111	0.6
399.21680	0.6
403.82687	0.3
590.31201	4.5
608.32184	0.6
609.20917	0.3
650.33398	3.1
710.35803	0.6
735.06885	0.3
752.36029	1.9
771.41992	0.3
842.79053	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	812.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05461	11.8
105.07046	1.4
119.04073	2.2
119.04938	63.4
131.08578	1.6
133.06474	3.9
133.10098	1.3
134.08618	1.7
134.09650	45.7
140.91373	0.8
145.10167	1.6
147.04407	100.0
155.08569	1.0
157.10135	1.0
165.05473	2.2
184.24846	1.1
189.05455	6.6
195.11694	3.8
206.10938	1.2
207.06528	1.7
207.11708	4.4
209.13216	1.5
210.11372	1.3
219.11600	1.8
221.13243	1.5
231.09256	0.9
231.11688	5.1
233.13037	1.0
246.14041	5.4
251.17953	1.3
252.12296	88.5
261.16342	10.4
263.18008	1.0
279.17383	7.0
289.16068	1.0
294.13394	4.2
297.18472	1.1
321.18695	1.1
339.19543	2.2
399.22073	1.1
593.50311	0.9
603.56873	1.0
752.35522	1.5
812.38263	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	812.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98597	0.3
62.82458	0.3
63.55653	0.3
67.44852	0.3
72.04510	1.3
79.05482	0.6
83.04954	0.5
88.07650	0.6
91.05460	2.0
93.07003	0.4
95.04942	0.3
95.08596	0.4
103.05444	0.4
105.07024	0.8
107.04952	2.9
107.08604	0.5
111.04449	0.5
117.07085	0.5
118.06470	0.3
119.08580	0.7
121.06527	0.4
121.10130	0.5
129.07007	0.3
131.04939	2.7
131.08539	0.6
133.10143	0.8
134.09648	100.0
143.08595	0.4
147.08102	0.6
149.05960	0.8
149.09656	0.3
155.08513	0.4
157.10080	0.4
159.08084	0.4
173.09589	0.4
177.12749	0.4
181.10139	0.5
183.11778	0.5
187.11234	0.4
194.11786	5.2
197.13310	0.5
206.10960	0.4
207.11737	0.6
225.12833	0.5
234.14137	0.5
236.12773	0.5
249.16385	0.8
262.13751	0.4
267.17413	0.7
277.15866	1.9
285.18848	0.4
295.16858	3.1
313.17999	1.7
317.03027	0.3
337.18021	0.7
355.19049	2.1
397.20035	1.5
399.21698	1.4
415.21191	0.5
590.31268	5.7
605.51624	0.4
650.32849	3.5
710.35162	0.5
752.36560	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	812.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11510	0.7
72.04500	3.5
72.86189	0.8
73.69994	0.8
74.58026	0.8
79.05505	6.8
81.07042	0.8
91.05462	9.0
92.18578	0.9
95.04954	1.6
95.08650	0.9
105.03389	1.1
105.07040	1.3
107.04951	66.0
107.08549	1.0
108.52692	1.0
109.61147	1.0
117.06960	1.4
119.04935	36.6
119.08575	1.9
122.55815	0.8
131.04924	1.0
131.08553	1.4
133.06453	2.0
133.10118	1.7
134.09651	100.0
136.77776	0.8
143.08588	1.5
147.04401	57.8
149.06015	11.1
155.08572	0.9
157.10165	1.5
165.05461	1.0
167.08560	4.3
169.10118	3.8
179.08578	4.7
180.09352	3.8
181.10091	5.6
183.11763	1.1
189.05415	3.9
191.08524	1.6
193.10144	4.3
194.11806	53.8
195.11659	6.1
197.09691	0.8
199.05341	0.8
200.61458	0.9
203.08618	1.7
204.09286	7.7
206.10901	5.3
207.06538	3.3
207.11731	5.3
209.13274	15.0
210.11159	1.5
211.11179	2.0
211.14778	1.4
218.10823	1.0
219.11650	14.2
220.12421	1.4
221.13226	12.6
222.10384	4.2
231.11713	1.5
232.17496	0.9
236.12694	1.2
237.12741	19.2
239.14233	2.0
244.12541	3.2
246.14037	3.6
249.16397	1.1
251.14272	1.5
252.12292	51.8
255.13745	1.2
261.16367	6.7
263.18085	1.0
277.15802	1.4
279.14026	1.2
279.17508	3.5
281.15494	1.1
297.14938	4.4
321.18637	0.8
339.15707	1.1
339.19495	1.1
472.24905	8.1
490.25903	1.5
532.26984	25.3
574.32031	1.2
590.31036	1.1
592.29456	1.6
599.59589	0.9
634.33649	17.2
650.33594	1.6
694.35315	1.0
812.41437	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	814.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10922	1.1
62.49494	1.1
63.70850	1.1
75.92723	1.2
77.03916	1.3
86.37088	1.3
91.05438	1.5
92.17897	1.6
95.04965	12.9
97.92801	1.3
105.03388	100.0
105.04517	5.8
105.07020	5.9
107.08559	1.3
119.08588	1.9
121.06492	1.6
131.08513	1.9
133.06436	4.7
135.08105	1.7
143.08540	2.8
145.10040	1.3
151.07500	2.6
159.08073	2.3
169.10095	5.2
171.08017	1.3
179.08557	2.5
181.10094	2.7
183.11769	1.6
185.09660	2.2
193.10008	1.6
195.11783	3.1
197.09555	2.4
198.10298	1.6
199.11185	18.9
207.11687	1.8
209.09605	3.1
211.11218	18.8
223.11159	5.8
225.12759	11.7
227.10710	10.5
235.11224	1.8
247.14787	1.9
253.12273	7.5
263.14432	2.6
265.15930	2.8
271.13330	1.4
283.16852	1.8
291.39511	1.4
293.15280	8.7
311.16394	2.2
313.14349	24.4
353.17252	1.8
373.16425	11.3
415.19012	2.5
475.20621	1.9
532.52344	1.4
537.23077	1.4
597.25067	3.1
719.31598	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	814.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02777	0.5
67.05473	0.5
72.04495	2.8
79.05493	2.3
81.07043	0.7
87.63168	0.5
87.77032	0.5
88.07632	1.2
91.05473	7.4
95.04956	0.6
103.05457	1.1
103.81538	0.5
105.07021	2.1
107.04938	5.9
107.08566	1.9
117.07022	0.6
119.04916	2.8
119.08563	1.1
120.08037	0.7
128.06200	0.6
129.06923	0.8
131.04907	9.3
131.08556	0.8
133.10127	1.3
134.09647	100.0
135.08022	0.9
143.08534	1.2
145.10184	1.1
147.04422	2.6
147.08087	2.0
149.05977	1.1
155.08575	0.6
157.10114	1.1
159.08006	0.9
161.09642	1.2
164.93915	0.5
169.10123	2.1
171.11694	1.0
175.07751	0.6
179.08551	0.9
181.10117	1.1
183.11658	1.2
185.09653	0.6
187.11276	0.7
193.10081	1.2
194.11783	7.1
195.11786	1.0
197.13307	0.8
199.11154	0.7
206.11061	0.7
207.11681	2.1
209.13271	1.0
210.11282	5.8
219.11667	0.9
220.12529	0.7
221.13260	1.3
223.14717	0.7
230.73325	0.6
231.11659	2.0
234.14067	0.7
235.14854	0.7
237.12781	1.1
246.13948	1.2
249.16443	1.0
250.10762	0.6
251.18031	0.7
252.12178	0.9
261.16473	2.4
267.17249	0.9
277.15891	1.1
279.17325	1.3
295.16980	2.5
313.17978	1.3
328.12012	0.6
342.64072	0.6
355.19083	1.1
393.99030	0.6
397.20123	1.0
462.66705	0.6
497.07132	0.6
513.39636	0.5
606.30603	3.2
666.32135	0.9
712.38214	0.7
754.35498	5.0
814.39899	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	814.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02777	0.5
67.05473	0.5
72.04495	2.8
79.05493	2.3
81.07043	0.7
87.63168	0.5
87.77032	0.5
88.07632	1.2
91.05473	7.4
95.04956	0.6
103.05457	1.1
103.81538	0.5
105.07021	2.1
107.04938	5.9
107.08566	1.9
117.07022	0.6
119.04916	2.8
119.08563	1.1
120.08037	0.7
128.06200	0.6
129.06923	0.8
131.04907	9.3
131.08556	0.8
133.10127	1.3
134.09647	100.0
135.08022	0.9
143.08534	1.2
145.10184	1.1
147.04422	2.6
147.08087	2.0
149.05977	1.1
155.08575	0.6
157.10114	1.1
159.08006	0.9
161.09642	1.2
164.93915	0.5
169.10123	2.1
171.11694	1.0
175.07751	0.6
179.08551	0.9
181.10117	1.1
183.11658	1.2
185.09653	0.6
187.11276	0.7
193.10081	1.2
194.11783	7.1
195.11786	1.0
197.13307	0.8
199.11154	0.7
206.11061	0.7
207.11681	2.1
209.13271	1.0
210.11282	5.8
219.11667	0.9
220.12529	0.7
221.13260	1.3
223.14717	0.7
230.73325	0.6
231.11659	2.0
234.14067	0.7
235.14854	0.7
237.12781	1.1
246.13948	1.2
249.16443	1.0
250.10762	0.6
251.18031	0.7
252.12178	0.9
261.16473	2.4
267.17249	0.9
277.15891	1.1
279.17325	1.3
295.16980	2.5
313.17978	1.3
328.12012	0.6
342.64072	0.6
355.19083	1.1
393.99030	0.6
397.20123	1.0
462.66705	0.6
497.07132	0.6
513.39636	0.5
606.30603	3.2
666.32135	0.9
712.38214	0.7
754.35498	5.0
814.39899	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	814.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05328	0.6
60.52399	0.6
72.04516	8.7
79.05482	1.1
79.58690	0.6
86.21686	0.7
88.07640	3.5
91.05481	3.1
92.17812	0.8
93.07059	1.0
95.04969	1.2
103.05475	8.8
105.07015	3.9
106.31459	0.8
107.04944	24.1
107.08597	1.4
119.08582	3.0
121.10151	1.6
131.04924	30.3
131.08571	3.2
133.10139	3.1
134.09650	100.0
135.77310	0.8
136.77768	0.7
143.08536	1.6
145.10197	2.3
147.04379	1.3
149.05998	6.5
149.09616	1.0
155.08597	3.0
157.10107	1.4
159.08170	1.2
159.26825	0.8
161.42896	0.8
161.44414	0.6
167.08490	1.2
168.27730	0.7
169.10022	1.5
171.11700	1.6
176.10736	1.6
179.08556	1.1
181.10201	2.8
183.11740	1.3
191.08418	0.7
193.10120	1.3
194.11771	27.3
195.11731	3.3
195.93974	0.7
197.13229	0.8
201.12778	0.7
205.10136	0.9
207.11736	3.0
209.13326	3.1
211.11330	0.8
211.15005	1.2
219.11661	2.8
221.13309	3.4
223.11134	0.7
231.11804	4.5
232.12395	1.0
233.13367	1.2
235.14850	0.9
236.12810	1.4
237.12753	1.6
246.14012	6.0
250.63834	0.7
251.18044	2.8
257.44479	0.8
261.16318	7.4
261.96964	0.8
279.17505	5.1
297.18558	1.0
321.18988	0.9
574.31848	1.1
634.34637	1.7
652.34943	1.5
694.35834	4.1
712.36835	1.5
754.37946	15.7
814.40002	58.7
840.81439	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	814.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48689	0.3
67.05504	0.8
72.04532	3.5
79.05480	1.7
81.07050	0.5
85.34428	0.4
88.07624	1.9
91.05475	6.1
93.07048	0.6
95.04966	0.9
95.08588	0.7
103.05477	3.5
105.07023	2.5
107.04963	8.6
107.08589	2.1
109.06480	0.5
111.04429	0.6
117.06964	0.7
119.04945	3.7
119.08586	2.6
121.06497	0.7
121.10145	0.9
123.08073	1.0
129.06999	0.5
131.04924	12.5
131.08569	1.0
133.10146	2.7
134.09651	100.0
135.08060	1.7
137.09615	0.6
143.08542	2.3
145.10103	1.0
147.04414	3.5
147.08046	0.8
149.05975	1.8
149.09618	1.0
157.10135	2.0
159.07994	1.9
159.11694	0.8
161.09682	0.6
164.10701	0.8
169.10071	0.6
171.11710	1.9
173.09604	0.9
175.07562	0.6
179.08580	0.8
180.09424	0.5
181.10130	2.3
183.11693	1.7
185.09772	0.6
187.11211	1.0
189.15919	0.5
193.10211	0.9
194.11797	10.7
195.11707	1.8
197.13280	1.9
204.09232	0.5
204.70847	0.4
205.12250	0.6
206.10938	0.5
207.11703	2.6
209.13304	2.8
210.11214	3.1
211.11209	1.8
211.14833	0.7
215.14336	0.5
219.11720	2.2
220.12369	0.7
221.13278	1.8
223.11151	0.5
223.14734	0.8
225.12798	0.9
227.14601	0.6
231.11667	1.0
232.12592	0.6
233.13283	0.8
234.14003	1.0
236.12756	0.9
237.12729	2.3
237.16370	0.6
246.14030	2.6
247.11169	0.5
249.16380	0.9
250.10657	0.6
251.14439	0.7
251.18018	0.9
252.12367	1.7
261.16400	3.8
262.13565	0.7
277.15884	2.5
279.17474	2.1
295.16943	3.2
297.18845	0.5
313.17999	2.0
355.19055	2.4
374.33249	0.4
383.36526	0.5
397.20181	2.1
430.86249	0.5
445.62808	0.5
606.30920	2.4
652.34418	0.7
666.32489	0.9
694.35870	1.7
712.35699	0.6
754.36163	5.0
786.26465	0.5
814.40021	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	814.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65673	0.6
67.05537	0.6
69.70535	0.5
72.04523	3.4
79.05492	2.9
88.07636	2.4
91.05479	3.9
93.07046	1.0
95.08598	1.3
103.05479	5.8
105.07036	3.6
107.04955	16.2
107.08606	1.4
117.07004	0.7
119.04941	1.1
119.08597	2.4
121.06538	1.2
131.04922	25.5
131.08583	2.8
133.10135	2.6
134.09650	100.0
135.08060	0.8
143.08563	3.8
145.06422	0.6
145.10121	1.3
147.04433	2.2
147.08081	0.8
149.05949	4.3
149.09637	0.7
157.10164	2.4
159.08070	0.9
161.09579	1.0
167.08551	0.6
169.10101	1.4
171.11710	2.3
176.10786	0.6
179.08585	0.9
181.10161	2.4
183.11685	2.8
193.10130	1.2
194.11790	16.5
195.11777	3.2
196.92636	0.6
197.13237	1.2
204.09378	0.8
205.10202	0.8
206.10954	0.9
207.11740	0.9
209.13271	3.4
210.11235	2.7
217.10208	0.6
219.11745	2.3
221.13297	2.3
223.11211	1.0
225.12778	0.8
231.11746	3.4
233.13232	1.0
235.14928	0.9
236.12680	1.0
237.12767	2.7
246.13966	5.1
249.16454	0.6
251.18039	2.5
261.16281	7.6
263.17892	0.7
279.17542	3.7
297.18524	1.4
313.18045	0.8
355.19226	0.7
387.36951	0.6
424.78601	0.6
574.31433	0.8
592.32666	1.1
606.31085	0.7
652.34192	0.9
694.35297	3.5
712.37024	2.3
712.80298	0.7
734.62793	0.6
754.37872	9.4
814.40027	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	814.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.6
61.64665	0.5
69.07074	0.6
69.14301	0.6
72.04520	9.0
79.05480	3.4
81.07064	0.9
88.07617	3.3
91.05478	3.8
93.07029	1.4
95.04996	0.6
103.05457	10.0
105.07047	3.4
107.04945	23.6
107.08588	2.5
113.16985	0.6
117.07006	0.8
119.08569	3.0
121.10188	1.0
123.08009	0.7
128.06297	0.9
131.04927	33.8
131.08580	2.6
133.10112	3.5
134.09651	100.0
135.08032	0.8
143.08577	2.8
145.10071	2.2
147.08044	1.6
149.05986	6.2
154.96031	0.7
155.08629	1.0
157.10130	2.6
159.08083	1.5
159.11646	1.3
161.09549	0.9
169.10114	2.8
171.11674	2.6
173.09689	0.8
176.10757	2.8
179.08638	1.3
180.09265	0.9
181.10138	4.4
183.11536	0.7
185.09644	0.9
185.13214	0.7
193.10199	1.0
194.11795	26.9
195.11574	4.4
197.13329	1.0
206.10945	1.1
207.11728	3.4
208.12573	0.7
209.13266	5.6
211.11328	0.7
211.14842	2.5
213.12697	0.8
218.10918	1.3
219.11708	2.9
220.12532	1.1
221.13266	4.7
223.11302	1.0
223.14893	0.9
231.11656	4.5
233.13326	0.8
235.14989	1.2
236.12866	1.0
236.15843	0.7
237.12703	2.3
237.16354	1.1
246.14069	6.6
251.18025	2.8
261.16324	11.0
263.18027	0.8
279.17398	4.9
297.18469	2.6
298.00470	0.7
430.06461	0.7
574.31482	1.5
634.33893	3.4
652.34680	3.1
694.35999	4.7
712.36700	2.6
721.34680	0.7
754.38043	18.9
779.09027	0.8
814.39978	60.5
831.64221	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	814.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81699	1.0
65.31625	1.1
72.04506	9.5
72.94514	1.1
79.05485	2.2
84.48569	1.1
88.07634	2.3
89.93871	1.1
91.05482	2.9
103.05466	7.9
104.70644	1.0
105.07047	2.5
107.04958	23.9
107.08577	2.0
117.06990	1.3
119.08479	2.2
121.10123	1.6
128.52837	1.4
131.04936	32.0
131.08524	1.4
133.10152	2.6
134.09657	100.0
139.85672	1.1
143.08534	2.1
145.10146	1.8
149.05981	7.3
149.09627	1.2
157.10129	2.4
159.08005	1.7
167.08649	1.5
169.10153	2.1
181.10091	1.5
183.11693	2.3
193.10077	1.5
194.11827	25.7
195.11696	1.6
197.13249	1.5
199.11221	1.3
209.13248	6.8
216.35403	1.4
217.10197	1.6
219.11755	2.4
221.13336	2.0
223.11235	1.3
231.11676	4.7
235.14902	2.4
237.16307	1.3
246.14064	7.5
261.16470	8.5
263.17911	1.4
279.17465	2.9
297.18454	1.6
529.17389	1.2
532.30243	1.2
634.33252	1.9
652.34296	1.6
694.35596	5.8
712.36688	2.0
754.37982	14.4
814.39923	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.343
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87377	0.7
71.55913	0.7
72.15508	0.5
76.30022	0.6
81.44739	0.7
91.05466	10.3
95.04973	1.0
97.06535	0.7
105.07035	1.1
106.00610	0.7
109.06515	1.5
113.05982	1.1
116.41659	0.6
117.07008	1.1
119.04935	58.4
121.06448	0.9
123.04465	0.9
129.07016	1.3
133.06488	3.2
134.09654	17.6
144.21286	0.6
145.06474	0.8
147.04404	100.0
155.08565	1.5
159.08145	0.6
161.90977	0.6
165.05511	1.5
167.71727	0.6
169.06512	0.7
169.10066	1.5
171.08090	1.3
173.50122	0.6
179.08575	1.3
181.10158	3.0
183.08093	0.6
183.11722	1.0
189.05473	7.2
193.10132	1.3
195.11781	1.1
197.09552	1.1
199.11278	0.8
206.10956	0.9
207.06570	1.2
207.11650	1.0
209.09579	1.3
209.13222	0.8
210.11314	1.2
211.11168	1.3
213.09236	0.7
221.13274	0.9
222.10405	0.9
223.11240	1.2
225.12717	1.0
235.11246	0.9
235.51431	0.7
237.12697	1.3
241.12286	1.1
252.12296	63.1
265.11993	1.1
267.13776	0.9
279.13626	0.8
283.56396	0.7
295.13388	3.7
313.14453	1.3
325.14279	0.9
329.67639	0.6
334.29181	0.7
355.15503	1.0
618.97491	0.7
812.03638	0.8
816.34216	32.5
823.74060	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	816.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30577	1.1
70.48463	1.1
71.49348	0.9
72.04504	1.3
75.79478	1.4
89.57162	1.0
91.05495	11.7
93.95084	1.1
95.04971	1.4
109.06494	1.5
119.04941	62.2
133.06522	2.1
134.09651	23.6
143.08554	1.3
147.04405	100.0
165.05417	1.7
189.05449	6.7
195.11745	1.4
199.19986	1.0
207.06471	1.5
207.11723	2.0
210.11200	4.4
223.10884	1.2
252.12296	52.7
279.13849	1.3
325.14481	2.2
505.20764	1.5
756.32050	2.5
816.34210	42.9
826.29773	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	816.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39012	0.5
79.05497	0.8
81.65285	0.7
91.05477	9.9
101.58559	0.6
103.20418	0.6
109.06497	1.5
113.06044	1.2
115.05428	0.6
117.07024	1.4
119.04932	64.8
121.06527	0.7
122.30588	0.7
123.04417	1.2
125.05968	0.9
129.07028	0.8
131.08665	0.9
133.06479	2.8
134.09637	16.2
143.08582	1.3
147.04396	100.0
155.08641	1.0
157.06461	0.9
159.08070	1.1
163.07541	0.8
164.10704	0.7
165.05481	4.2
165.06956	0.9
167.08531	1.3
179.08594	0.9
181.10123	2.8
183.08044	1.0
189.05547	6.0
193.10159	1.4
195.11769	1.3
200.73920	0.7
205.10062	0.8
207.06549	3.1
207.11771	0.9
209.09619	1.6
209.13179	1.9
210.11290	2.6
211.11235	1.6
213.12895	1.1
221.09590	0.8
223.11227	1.3
225.12766	1.2
235.11139	1.4
237.12677	0.9
249.12727	0.8
252.12280	77.1
253.12227	1.3
267.13882	2.8
295.13275	5.0
312.18051	0.9
313.14429	2.7
325.14355	1.2
355.15216	0.9
505.21057	0.8
627.47382	0.7
816.34277	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16183	0.4
67.05502	0.5
70.54906	0.4
72.04510	0.8
73.73292	0.3
75.21645	0.4
91.05482	12.0
95.04950	0.5
97.06506	0.4
98.71263	0.5
105.07004	0.7
107.04998	0.4
109.06518	1.8
113.05986	2.0
117.06999	0.6
119.04939	62.6
121.06463	0.7
123.04413	1.9
123.08112	0.6
129.07018	1.0
133.06470	2.2
134.09654	20.1
143.08586	0.8
145.06514	1.8
147.04405	100.0
148.26738	0.5
155.08534	0.8
157.06331	0.4
157.10110	0.6
159.08052	0.6
163.07567	0.8
165.05447	3.5
167.08514	0.6
169.10027	0.6
171.08020	0.7
173.09532	0.7
181.10126	0.6
183.08014	1.6
183.11729	0.7
185.09595	0.8
187.07532	0.4
189.05440	7.4
193.10094	0.7
195.11647	1.1
207.06543	2.4
207.11833	0.8
208.05698	0.4
210.11258	3.4
211.11191	0.7
219.11777	0.9
223.11105	1.0
225.12680	0.5
233.13126	0.6
235.11218	1.0
237.12743	1.0
247.11226	0.6
252.12294	59.6
255.13641	0.6
279.13968	0.7
283.13138	0.5
294.13373	1.0
297.14828	0.7
325.14322	1.9
343.15622	0.5
385.16550	0.5
387.98471	0.4
445.18494	2.0
487.19571	0.8
505.20703	0.8
565.22919	2.0
694.73376	0.5
816.34308	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	818.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05019	1.6
60.29064	1.4
79.05489	9.9
81.03419	2.2
91.05472	2.5
95.04947	3.3
105.03393	55.2
105.07021	11.4
107.04953	100.0
107.05676	3.9
120.08086	58.2
126.62061	1.9
131.04939	3.3
143.08562	2.6
144.70572	1.7
149.05971	22.3
151.31145	1.6
153.07118	1.7
155.08487	3.0
163.45406	1.7
165.07021	3.5
166.07747	2.0
167.08554	12.4
169.10089	10.6
179.08568	11.2
180.10236	71.3
181.10088	11.9
191.08563	10.9
192.09392	3.1
193.10120	10.9
194.10892	17.0
195.11688	11.2
203.08508	7.1
204.09328	38.0
206.10849	7.2
207.11711	9.6
208.12524	3.4
209.13234	38.5
211.11172	2.8
219.11671	76.6
221.09676	2.8
221.13213	23.0
222.10442	10.6
235.11171	2.9
235.13463	1.9
237.12704	55.5
239.14265	4.2
250.15819	7.3
251.14207	3.5
255.13660	2.8
279.13876	8.3
281.15381	3.9
297.14886	16.3
339.15952	7.7
341.15329	2.6
359.16370	7.9
399.18036	2.5
401.17670	1.9
458.23315	19.9
518.09534	2.0
518.25336	49.5
538.22455	2.1
563.66595	2.1
580.26917	10.7
640.28949	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
72.50393	1.6
74.06071	1.6
79.05495	8.7
81.03421	3.0
91.05487	1.9
95.04956	2.6
105.02700	2.4
105.03388	50.3
105.07004	11.6
107.04950	100.0
116.26459	1.4
120.07231	2.0
120.08088	51.0
131.04918	2.2
134.09665	2.1
141.06972	2.0
143.08592	1.8
149.05948	26.4
165.06920	3.2
167.08530	11.1
169.10106	8.7
178.07741	2.7
179.08513	14.4
180.10217	62.6
181.10167	11.2
191.08615	7.1
192.09381	7.1
193.10223	11.3
194.11009	9.8
195.11737	13.5
198.22223	1.5
203.08571	7.0
204.09306	35.1
206.10835	3.6
207.11676	8.0
208.08548	1.6
208.12575	2.3
209.09550	1.9
209.13216	37.0
211.11040	1.7
219.11650	82.1
221.09645	1.7
221.13222	22.1
222.10420	6.6
237.12717	44.7
239.14282	7.3
244.12567	1.8
250.15929	8.0
251.14258	6.4
259.14935	2.5
279.13782	7.7
281.15353	3.7
297.14825	13.1
339.16003	7.2
341.15262	3.1
359.16364	6.5
370.68948	1.9
399.18207	3.0
404.19528	1.4
458.23322	22.3
518.25354	43.3
580.26685	7.2
640.18805	2.7
640.29004	51.8
667.72998	1.7
733.70264	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	818.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73576	1.4
69.24357	1.5
73.14302	1.5
76.59322	1.6
79.05488	10.5
81.03423	3.2
84.09409	1.6
87.33993	1.6
91.05482	1.6
95.04955	3.7
103.05424	1.4
105.03397	50.1
105.07021	9.4
107.04953	100.0
117.59547	1.6
120.08107	58.7
131.04874	3.6
132.06549	2.0
140.52107	1.6
149.05962	19.6
155.08592	2.3
165.06961	2.9
166.07855	2.1
167.08536	9.7
169.10110	11.7
178.08894	1.8
179.08481	12.3
180.10252	54.3
181.10141	11.0
191.08572	3.5
192.09290	2.0
193.10112	11.4
194.10884	15.8
195.11649	11.9
197.28050	1.7
203.08549	6.5
204.09338	41.9
206.10927	8.4
207.11670	6.4
209.13252	36.9
213.12561	1.7
218.10905	2.5
219.11684	75.2
221.09547	2.2
221.13231	22.0
222.10504	7.7
234.10291	1.7
236.11807	1.9
237.12726	45.5
239.14339	2.8
244.12527	2.4
250.16023	6.9
251.14322	8.7
279.13715	9.2
281.15359	2.2
297.14828	12.5
310.18179	2.5
339.15906	7.7
341.15283	2.5
359.16434	9.0
399.18225	3.0
404.92053	2.1
442.28183	1.6
458.23276	17.4
518.25403	40.3
580.26855	8.3
640.29071	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18127	3.3
72.17419	2.9
73.52207	3.0
74.98496	2.8
81.07035	3.4
95.04946	3.3
105.03395	70.3
105.07085	4.2
115.32590	3.3
155.08612	3.8
157.47055	2.8
178.07816	6.8
179.08563	27.5
181.10185	17.7
183.08015	3.7
192.09328	6.2
193.10129	19.4
194.07289	3.1
197.09489	5.8
197.13257	4.2
199.11195	13.8
205.09999	3.3
207.11694	19.1
209.09612	14.5
211.11104	21.6
217.10233	4.5
223.11093	12.2
225.12741	7.1
227.10527	5.8
235.11215	7.3
253.12254	4.6
267.13742	3.9
275.10526	3.9
285.14822	5.5
293.11377	3.9
376.93564	3.0
474.16721	3.7
478.73801	3.8
523.78729	3.0
575.22412	45.4
638.38214	3.5
643.85370	3.4
697.26172	100.0
811.87311	3.4
819.29987	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.353
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03913	1.1
79.05492	8.7
79.08826	0.9
91.05492	1.2
95.01587	0.9
95.04973	4.3
105.03392	69.9
106.83992	0.8
107.04954	100.0
109.32480	0.8
109.44067	0.8
131.04893	7.3
134.09625	1.4
135.11931	0.9
144.18285	1.0
149.05977	33.2
155.08556	1.7
165.06982	1.2
166.08635	53.6
166.10002	2.0
179.08640	1.2
181.10117	4.8
183.11728	2.2
192.09312	4.1
193.10149	4.7
194.11807	11.4
195.11700	3.9
197.09692	1.1
197.13222	1.6
199.11148	3.3
205.10078	1.0
207.11679	7.5
209.09650	1.9
211.11136	6.8
223.11118	1.5
225.12706	6.4
227.10742	3.5
235.11148	9.2
253.12254	10.3
269.11646	2.1
286.31613	1.0
289.11908	1.1
313.14288	3.5
315.13840	1.4
331.13126	7.4
355.15375	9.0
356.08139	1.0
357.14896	2.0
475.19507	1.4
628.21423	1.2
816.37280	1.1
852.76013	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	820.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01913	0.5
72.04514	9.7
79.05489	10.4
82.37992	0.5
86.07909	0.6
91.05470	2.1
93.07111	0.6
95.04952	4.6
98.73140	0.5
103.05466	0.8
105.02681	1.2
105.03392	37.1
105.04526	2.7
105.07018	1.0
107.04955	100.0
109.06531	3.5
113.05988	0.8
123.04466	0.7
129.07001	1.0
131.04918	7.6
131.08549	0.8
134.09654	13.1
139.07532	1.0
145.06540	2.2
147.08035	0.7
149.05969	20.1
150.09155	1.3
150.34586	0.6
152.79150	0.7
157.06535	0.9
159.08067	1.1
167.08629	0.9
168.09409	0.6
179.08522	0.7
181.08665	0.9
181.10112	0.9
183.08221	0.6
187.07574	1.0
190.75890	0.6
193.10120	2.2
194.11763	96.9
195.11789	1.1
197.09605	0.9
207.11777	1.0
209.13293	0.7
211.11200	0.7
219.11690	0.9
221.09666	0.8
223.11174	1.2
235.11267	0.9
237.12790	2.2
241.12192	0.9
244.68001	0.6
249.13152	0.6
264.11636	0.7
265.12286	0.7
277.39569	0.6
298.14374	3.5
307.13449	0.6
313.14407	1.2
325.14404	2.3
444.18167	0.7
445.18646	2.9
549.20813	0.8
659.43127	0.7
820.35297	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44645	0.8
61.57884	1.0
66.15870	1.2
69.97891	1.1
75.74617	1.4
75.75140	0.9
77.03902	1.2
79.05496	10.0
95.04950	5.2
105.03395	69.6
105.04487	2.3
107.04955	100.0
131.04930	7.8
147.44470	1.4
149.05986	34.0
155.08470	1.6
166.08635	51.4
181.10152	5.8
182.10995	1.2
183.11786	1.8
192.09265	2.2
193.10170	7.1
194.11797	10.0
195.11810	2.7
197.13309	5.0
199.11098	1.4
201.53976	1.1
207.11700	8.1
209.09575	6.2
211.11142	2.4
220.08749	1.7
223.11221	2.2
225.12766	5.8
227.10675	2.5
234.47549	1.3
235.11150	5.8
253.12183	5.2
295.13303	1.3
313.14355	2.7
315.13782	1.2
331.13251	6.1
355.15390	9.1
357.14908	2.7
444.46686	1.2
581.62128	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	820.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04512	9.9
79.05493	9.7
86.42675	0.8
91.05482	2.9
93.07019	1.0
93.60117	0.6
95.04953	4.6
97.06538	1.3
103.05492	1.1
105.03391	38.3
105.04493	2.4
105.07020	1.5
107.04948	100.0
107.36786	0.7
109.06499	3.1
117.06919	0.9
117.42984	0.8
119.04912	0.9
120.53561	0.8
121.06464	1.1
123.04436	0.9
123.94612	0.7
125.05979	0.9
129.07013	0.7
131.04929	6.7
134.09648	15.0
139.07515	1.4
141.38622	0.8
145.06453	1.2
149.05971	20.1
150.09126	1.0
155.08508	1.1
157.06381	1.2
162.57800	0.7
167.08557	0.8
181.10127	1.0
181.39655	0.8
187.07570	0.8
193.10214	0.8
194.11755	94.0
195.11731	1.0
197.09616	0.9
209.09676	1.1
209.13240	1.1
221.09654	0.9
223.11049	1.1
237.12828	1.1
240.02461	0.7
241.12263	1.1
249.12846	1.0
253.12144	0.9
261.12845	1.2
267.13925	0.8
295.13385	1.0
298.14462	4.2
313.14349	1.5
322.87982	0.7
325.14432	1.3
361.43524	0.8
385.16537	0.9
445.19186	0.9
559.92285	0.7
820.35217	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
72.57589	2.0
75.58334	2.2
85.25326	2.2
103.05464	36.1
105.03397	13.0
122.26640	2.1
131.04924	100.0
133.06517	2.5
197.13200	3.4
253.12216	4.2
261.39188	2.9
268.47751	2.4
280.49127	2.4
342.66086	2.1
344.26587	2.3
349.71030	2.1
353.17300	3.6
493.21365	2.4
621.57239	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	820.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.5
69.03417	4.0
71.04984	17.8
73.99238	2.1
77.03933	1.9
79.05489	3.1
80.47915	1.7
81.31191	1.9
82.00924	2.0
82.35818	1.9
87.10800	2.0
88.07629	23.9
91.05468	43.9
93.07036	4.9
95.04963	15.1
95.08589	2.5
103.99413	1.9
105.03395	100.0
105.04462	3.1
105.07018	12.9
105.86376	2.2
106.06534	4.5
107.04923	2.6
107.08607	4.1
109.06532	2.2
110.74255	2.2
118.06535	23.9
119.04919	19.5
119.08573	7.7
121.06500	8.7
121.10143	2.8
123.08047	2.8
131.08493	2.2
133.06454	9.8
133.10132	12.1
135.08064	4.6
136.07568	29.5
143.08537	8.0
145.10115	2.8
147.04425	3.8
147.08040	3.2
149.05956	4.2
149.09587	3.8
151.07501	2.4
151.11105	2.5
157.10098	2.4
159.08064	4.0
161.09607	4.8
169.10092	2.8
175.07361	2.8
177.09079	2.1
181.10153	3.4
182.08118	17.2
183.11580	2.7
189.09164	2.1
195.11761	4.2
197.09604	3.8
197.13264	3.6
199.11090	2.9
205.10013	2.9
206.11664	13.0
209.09703	2.5
211.11220	3.6
220.12468	2.2
222.10318	3.3
223.11247	2.7
225.12810	3.5
234.11258	9.4
235.14890	2.1
237.12654	4.9
239.14340	4.3
248.11977	2.2
249.12805	2.3
252.12265	56.1
265.12091	2.1
281.15280	10.3
291.13828	3.4
299.16467	2.4
309.14908	14.0
327.15649	19.1
365.60690	2.0
369.17148	4.0
387.18323	3.5
433.52115	2.0
449.19327	3.0
491.20599	2.4
509.21625	22.2
569.23633	2.5
704.51550	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	820.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96744	3.7
68.91496	3.8
74.72703	4.2
88.07624	100.0
91.05475	36.5
95.04959	9.6
95.08633	4.0
97.86694	4.5
105.03390	80.1
105.04475	5.2
105.07031	9.3
105.49447	3.8
107.08589	5.3
119.04877	6.6
119.08563	4.9
120.08089	7.0
121.06503	8.2
121.10146	4.4
132.08098	28.5
133.06467	10.0
133.10109	6.3
147.04405	6.8
150.09111	33.8
169.10091	4.4
177.09041	4.5
181.86305	4.6
183.11732	4.9
196.09708	8.5
206.11749	21.2
221.13046	5.2
233.28194	4.3
234.11258	20.2
252.12239	46.3
260.63379	4.4
263.14380	5.5
267.13843	4.2
281.15588	5.7
309.15118	17.6
327.15753	16.3
509.21512	8.9
543.53174	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	822.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.4
70.95009	2.4
79.05491	2.2
81.71130	2.2
90.05550	49.1
91.05488	59.8
93.07043	5.8
95.04965	15.1
100.51566	2.6
103.05424	2.5
105.03395	100.0
105.04461	4.9
105.07019	15.1
107.08603	4.8
119.04945	10.0
119.08582	10.7
121.06514	10.1
121.10143	3.4
121.26852	2.3
123.08086	9.4
125.86980	2.1
131.08511	3.1
133.06493	14.8
133.10146	5.1
135.07961	2.5
137.06161	3.2
143.08479	3.7
145.06535	2.9
145.10136	3.5
147.08075	4.2
149.05942	5.5
149.09648	3.7
151.07513	2.6
159.08081	3.7
161.09613	4.0
167.08580	3.0
173.09671	3.3
175.07553	3.0
178.08720	17.8
179.08559	3.2
181.10265	2.6
183.11699	5.5
185.09557	2.9
187.11234	3.2
193.10194	3.4
195.08167	3.0
195.11807	4.3
197.09686	2.5
199.11232	2.8
206.10872	2.7
207.11734	2.5
209.09702	3.5
209.13348	3.4
211.11162	3.5
211.14787	3.3
213.12852	3.2
220.12473	3.7
220.67715	2.8
221.13240	3.7
223.11217	5.7
235.14836	9.6
237.12766	4.7
239.10687	2.5
239.14540	2.5
248.11884	2.9
253.08517	2.3
254.10202	80.7
263.14200	3.3
281.15402	11.8
291.14130	2.9
299.16550	2.8
309.15015	9.3
327.15988	18.2
509.21747	40.6
569.23486	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	822.368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08852	0.7
62.57613	0.7
63.03292	0.6
67.70095	0.7
68.79330	0.7
75.50227	0.7
91.05478	77.6
95.04972	1.6
103.05431	3.4
105.03403	17.0
105.07024	4.4
119.04938	15.2
119.08542	1.3
133.06508	6.2
134.09648	31.8
135.08104	0.9
143.08571	1.5
147.04454	1.8
155.08638	0.8
165.05646	1.0
165.07027	3.1
166.07759	0.9
167.08522	4.4
169.10098	1.5
179.08566	6.5
180.09355	1.4
181.10118	4.4
183.11713	1.3
192.09344	1.8
193.10135	1.5
194.10960	3.3
195.11685	4.5
197.09618	0.9
197.13112	1.1
199.11285	1.1
204.09323	1.5
206.10936	0.8
207.11649	5.4
209.09549	1.1
209.13229	9.1
210.11243	100.0
211.11226	1.4
219.11761	3.5
221.09735	1.0
221.13249	2.8
222.10356	4.6
225.12680	1.5
232.12529	0.9
235.11145	1.8
237.12674	10.0
239.14229	1.0
251.14375	1.1
255.13780	3.8
265.15729	1.6
293.15335	1.4
297.14838	7.5
311.16409	1.0
327.21542	0.8
401.17844	0.8
488.24304	1.2
506.25729	5.6
524.26251	4.5
548.26324	1.4
610.27899	3.6
628.28882	10.5
632.96417	0.8
646.29865	9.3
688.30878	3.0
744.34247	1.1
762.34711	1.0
822.35846	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	822.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86006	0.9
72.04514	1.1
73.28777	0.9
91.05465	20.2
95.04996	1.5
101.36395	0.9
105.03414	7.4
105.07034	4.7
117.06252	0.9
119.04939	68.0
119.08559	1.3
128.97855	0.9
131.69182	0.9
133.06483	1.5
134.09651	55.8
145.06479	1.3
147.04407	100.0
148.00931	1.1
155.08592	3.4
159.08009	1.1
164.10715	1.2
165.05490	4.2
165.07024	1.7
167.08455	1.5
169.10135	1.1
178.07828	2.1
179.08560	4.1
180.09402	1.3
181.10164	3.9
185.41713	1.0
189.05455	6.0
192.09302	16.9
193.10107	4.4
195.11781	2.1
197.09686	0.9
207.06531	1.8
207.11656	14.7
209.09703	1.9
209.13293	1.5
210.11246	11.6
217.10040	1.8
223.11218	3.9
225.12825	3.7
232.12444	1.0
235.11194	5.7
237.12717	3.3
252.12280	73.1
253.12318	6.5
265.15924	1.4
294.13428	1.7
313.14273	6.1
460.80127	1.1
504.23874	1.4
522.24469	4.4
530.32117	1.1
546.24933	2.0
564.25946	21.7
567.07764	0.9
644.28247	3.4
686.29401	12.8
700.33234	5.0
822.36560	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	822.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35648	0.9
72.04486	0.8
81.07030	1.0
86.49519	0.8
88.51272	0.7
91.05482	93.1
92.17884	2.6
93.07072	1.0
95.04939	2.1
103.05476	2.0
105.03384	19.8
105.07035	4.8
119.04947	20.7
119.08567	1.8
129.06975	1.3
133.06496	1.3
134.09653	50.2
138.78204	0.9
143.08516	1.1
146.33374	0.9
147.04436	3.6
147.08067	1.2
150.73999	0.9
153.06999	1.5
155.08539	6.3
158.07214	1.0
162.46391	0.9
165.05623	1.0
165.06972	5.6
166.07790	1.4
167.08533	9.3
169.10060	6.1
178.07825	1.5
179.08553	14.2
180.09312	7.1
181.10104	11.8
191.08546	1.2
192.09259	7.2
193.10112	8.1
194.10863	16.4
195.11690	7.2
197.09758	1.0
204.09370	5.4
206.10950	5.0
207.11777	9.3
208.12561	1.1
209.13245	29.3
210.11244	100.0
211.11194	1.2
217.10121	1.1
219.11632	10.4
221.13319	7.3
222.10385	5.7
224.12256	1.1
225.12688	1.3
230.10873	2.1
235.11273	1.5
237.12729	16.1
252.12260	2.0
253.12328	1.4
285.11139	0.9
295.51947	1.0
297.14828	1.6
311.16443	1.0
446.23306	5.0
488.23901	1.2
506.25323	28.5
606.20697	1.0
610.27618	1.7
628.29083	38.7
640.31250	1.2
702.32794	2.1
762.34924	8.7
822.36719	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	822.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56952	1.3
64.13969	1.2
73.30183	1.1
79.05494	1.8
84.97268	1.2
91.05476	89.5
94.81091	1.3
98.04755	1.4
103.05421	1.4
103.74892	1.2
105.03384	18.7
105.07025	5.4
107.04954	1.6
119.04915	16.8
119.08503	1.2
121.06517	1.4
133.06494	6.9
134.09639	38.2
138.19267	1.6
143.08563	1.4
155.08563	2.4
159.86880	1.4
167.08507	2.0
169.10115	2.1
179.08543	5.5
180.09373	1.5
181.10141	3.1
193.09978	4.1
194.10893	5.6
195.11755	4.6
204.09270	2.2
207.11757	2.7
209.09538	2.0
209.13203	11.1
210.11237	100.0
211.11186	1.4
219.11693	2.4
221.13260	1.7
222.10361	2.3
225.12762	2.3
235.11203	1.8
237.12817	11.5
253.12270	1.6
255.13704	2.1
293.15323	1.6
297.14816	2.2
409.57950	1.5
487.25763	1.3
506.25290	6.7
524.26422	8.4
610.28052	5.0
628.29535	10.3
646.30591	9.1
655.76379	1.3
688.31683	1.6
734.98346	1.5
762.34662	2.0
822.34973	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	824.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
76.04613	3.7
80.02164	3.7
95.91089	4.1
105.03405	5.1
107.04932	34.0
131.04912	37.0
134.09651	100.0
179.08582	4.6
181.10120	4.8
194.11810	30.6
208.12531	4.5
219.14781	4.1
221.13213	9.4
223.11156	4.6
229.88745	4.2
330.49530	4.1
396.59006	4.1
399.04337	4.7
524.26868	6.9
534.28491	23.7
544.05853	4.8
547.99146	5.0
584.28375	8.6
706.32196	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	825.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78367	1.2
67.10477	1.3
76.39323	1.4
81.09483	1.5
92.18523	2.7
103.05461	24.2
105.03389	20.5
131.04919	100.0
143.08595	1.6
155.08615	1.8
165.06926	2.0
166.07735	1.9
170.70084	1.3
179.08521	7.6
181.10107	8.4
192.09372	8.8
193.10196	13.6
195.11687	3.5
205.10181	11.5
207.11668	16.0
209.09641	7.1
211.11072	1.9
217.10207	5.4
223.11198	2.6
225.12759	2.8
235.11090	11.1
253.12213	6.0
265.15726	1.6
293.15381	2.1
317.11453	1.9
353.17377	5.9
377.13611	6.8
437.15704	9.1
499.17438	2.0
681.28638	3.0
703.27588	17.7
825.30713	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02747	0.4
58.02968	6.5
68.95752	0.4
75.73633	0.4
79.05479	0.6
81.07062	0.5
91.05477	16.1
91.22030	0.4
92.17817	0.9
93.07063	0.7
94.47605	0.4
95.04962	3.7
103.05470	0.8
105.03394	53.1
105.07053	1.9
107.04963	0.6
107.08598	0.5
113.68674	0.5
119.04930	4.6
120.08100	2.3
121.06477	0.7
132.08084	3.5
133.10121	0.6
136.07576	100.0
143.08554	1.0
145.10066	0.5
149.09656	0.7
155.08554	0.6
159.08083	0.7
161.09584	0.5
171.07948	0.6
180.09340	0.6
181.10049	0.5
183.11671	0.6
193.10208	0.6
197.09651	0.6
199.11218	0.9
206.10876	0.7
207.11859	0.7
209.13292	0.6
223.11314	0.9
224.11777	0.6
225.09268	0.6
235.14862	0.4
237.12776	0.6
239.14394	0.5
249.12979	0.5
254.11826	1.0
262.75119	0.5
263.14444	0.6
267.13702	0.5
281.15347	0.5
282.11282	2.1
300.12299	26.3
309.14969	0.7
327.15945	2.0
684.87079	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	826.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13912	0.7
62.14311	0.7
68.51342	0.7
69.03407	0.7
71.53598	0.7
72.04489	1.1
79.05498	0.9
81.07087	1.3
83.04961	0.9
85.02916	1.2
91.05492	9.7
91.22564	0.7
93.07032	3.1
95.04977	2.0
105.03409	1.3
105.07035	7.9
107.04904	0.8
107.08566	2.8
109.06493	2.9
112.16098	0.8
117.07011	1.5
119.04942	20.9
119.08578	1.9
121.06528	1.1
131.08578	1.2
133.06503	7.9
133.10123	1.2
134.09653	100.0
135.08066	3.8
138.68289	0.8
143.08537	3.2
145.10117	3.1
147.04395	36.4
147.08020	1.6
149.05928	1.3
149.09619	1.1
151.07524	1.1
155.08598	2.0
157.10098	4.2
159.08034	1.8
160.08888	0.9
161.05960	5.0
161.09601	0.9
162.33955	1.0
163.07451	0.9
167.08594	1.6
169.10149	1.7
171.08057	3.2
171.11708	1.0
173.09636	3.5
175.07600	1.6
175.11165	1.4
179.07053	3.7
179.08548	3.8
181.10130	3.8
183.11604	1.7
185.09645	1.3
187.11218	3.2
189.05518	1.5
190.22624	0.9
192.09335	1.1
193.10136	4.1
194.10841	1.2
195.11746	4.1
197.09636	3.3
205.10098	1.2
206.10890	1.0
207.11697	5.1
208.12451	1.5
209.09604	1.8
209.13260	1.0
211.11191	3.3
211.14757	0.9
213.12781	1.1
217.10176	1.9
221.13240	2.9
222.10497	1.6
222.13876	1.0
223.11237	3.8
223.14799	3.0
225.12746	3.5
227.14360	1.0
232.12379	1.9
233.13301	1.1
235.11157	5.0
235.14835	1.1
236.11899	1.9
237.12651	1.5
237.16417	1.5
247.14960	1.3
249.12712	0.9
250.13559	1.1
251.14316	6.7
252.12297	28.5
253.12192	1.1
260.11829	0.9
263.14224	1.5
265.15872	4.9
275.14230	3.5
283.17001	3.0
293.15335	9.8
311.16422	11.8
319.59918	0.8
325.17984	1.1
353.17371	6.9
371.18607	4.3
399.85382	0.8
413.19653	10.7
473.21661	22.8
506.63730	0.9
664.31000	17.5
826.36340	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	826.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70485	0.7
60.08882	0.7
72.04499	1.0
79.05477	1.7
81.07056	1.2
85.02920	1.0
91.05479	5.9
93.07041	3.0
95.04960	2.7
105.07018	7.9
107.04932	1.1
107.08601	1.6
109.06496	3.4
117.07027	2.8
119.04938	21.5
119.08566	1.6
121.06506	3.1
123.08085	1.0
129.06914	0.9
131.08588	3.4
133.06497	4.4
134.09653	100.0
135.08083	1.5
140.54001	0.7
143.08540	2.9
145.06465	1.8
145.10109	4.1
147.04404	32.8
147.05577	1.1
147.08022	3.5
149.05940	0.9
149.09587	1.5
153.06963	0.8
155.08525	3.3
156.09305	0.7
157.10135	1.4
159.08005	3.1
159.11623	0.8
161.05959	5.8
165.05452	1.3
165.07056	0.8
167.08498	1.6
169.10126	3.5
171.07988	1.6
171.11693	1.1
173.09581	1.5
175.07555	3.3
175.11215	1.1
177.08984	0.9
179.07027	5.0
179.08527	2.5
181.10112	3.6
183.08040	0.8
183.11641	2.5
185.09680	1.5
187.11195	2.8
189.05473	2.5
189.09138	0.8
192.09305	0.8
193.10156	1.7
195.11707	6.5
195.89330	0.8
197.09637	1.6
197.13217	0.8
199.11177	1.6
203.10593	1.0
206.10854	1.4
207.11702	4.7
207.13446	0.8
209.09613	1.6
209.13210	1.0
211.11238	1.5
213.12772	1.1
215.10716	0.7
217.10271	1.0
218.10844	1.3
219.11903	0.9
221.09549	1.6
221.13252	1.6
223.11089	5.8
223.14867	3.1
225.12776	3.7
232.12521	1.7
233.13237	1.7
235.11140	4.3
235.14899	1.1
236.11858	1.3
237.12804	1.1
237.16490	0.9
241.15895	1.1
247.14703	1.1
249.12775	1.0
250.13469	1.4
251.14381	5.8
252.12289	29.7
253.12086	1.7
260.12228	1.1
263.14133	1.1
264.11267	1.1
265.15854	5.4
269.15344	2.8
275.14249	1.5
281.15454	0.8
283.17007	1.3
293.15277	9.5
311.16373	12.6
325.17822	1.0
329.17169	0.8
353.17459	6.8
371.18503	4.3
376.61786	0.7
400.99426	0.7
413.19608	9.8
473.21732	22.7
664.31024	17.0
687.71442	0.8
826.36615	8.3
840.78589	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	826.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04608	0.6
61.99137	0.6
69.03445	0.7
72.04510	3.5
76.81834	0.6
83.04975	1.0
85.02880	1.2
91.05462	5.4
92.17859	1.3
93.07032	1.2
95.04960	3.1
95.08593	1.6
105.07015	3.2
107.04940	1.2
109.06489	1.1
109.10169	0.8
119.04938	12.4
119.08570	1.4
121.06506	1.6
121.10122	1.0
123.08053	3.5
126.57129	0.7
131.08556	4.1
133.06494	3.2
133.10152	3.8
134.09653	100.0
135.08020	1.5
135.11650	0.7
136.49159	0.7
137.09621	1.5
143.08507	2.9
145.06429	2.3
147.04407	20.6
147.08061	2.7
147.11713	0.8
149.09608	0.8
151.07593	1.0
155.08490	1.0
157.10066	2.8
159.08047	4.2
159.11623	1.4
161.09583	0.8
163.11093	0.8
169.10101	0.8
171.08110	0.9
171.11732	1.6
173.09624	2.7
174.33389	0.7
175.11150	2.7
177.12718	0.9
181.10165	2.9
183.11639	1.2
185.09618	1.4
187.07573	1.6
187.11209	1.5
189.05476	1.6
189.09111	0.7
192.10110	1.0
195.08119	1.1
195.11742	3.3
195.24200	0.8
197.09592	1.3
199.11157	2.9
201.12720	0.8
205.12224	0.7
207.11877	1.5
209.09702	1.2
209.13203	1.0
211.11168	1.1
213.09023	1.2
213.12642	1.3
215.10703	0.9
217.12183	1.0
221.13277	1.0
223.11188	2.6
227.10706	1.2
235.11249	0.9
236.11908	0.9
237.12679	0.8
237.16263	1.1
247.14861	1.5
250.13675	1.3
251.14409	0.9
252.12303	19.4
265.15750	5.1
267.13791	0.8
269.15414	1.0
275.14215	1.2
283.16873	4.9
293.15405	8.3
294.13165	2.6
311.16418	14.6
329.17462	1.2
353.17368	6.1
371.18576	2.8
413.19519	5.2
448.53201	0.8
550.60461	0.7
575.25073	2.7
604.29077	11.2
622.29987	10.4
664.31281	10.8
826.35693	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	826.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13357	0.8
67.05530	0.7
72.04503	1.2
77.63466	0.8
79.05466	1.2
80.78608	0.7
83.05018	1.0
85.02911	2.9
91.05470	4.5
93.07029	0.8
95.04977	1.2
95.08569	3.1
105.07017	4.1
106.19781	0.7
107.04911	1.0
107.08578	1.6
109.06466	1.1
115.92967	0.8
117.06997	1.5
119.04926	12.9
119.08566	1.6
121.06506	1.3
121.10152	1.4
123.08078	0.8
129.06987	0.8
133.06471	3.3
133.10121	3.0
134.09644	100.0
135.08060	1.1
135.11673	1.1
143.08574	1.4
145.06520	1.0
147.04391	21.2
147.08026	3.1
149.09610	1.1
157.10118	1.7
159.08052	1.9
159.11649	1.5
161.05946	1.4
161.09567	1.4
163.11205	0.9
167.08519	1.2
169.10132	1.5
171.08066	1.0
171.11684	1.8
173.09573	1.3
173.13245	1.1
177.12752	1.0
181.10141	1.1
183.08098	0.8
183.11711	0.9
185.09590	1.2
187.07458	1.4
187.11168	3.6
189.05522	3.6
189.09047	1.0
195.11693	3.7
199.11157	3.2
207.11665	1.4
209.09653	1.0
209.13213	1.8
213.12613	1.2
215.10631	1.2
223.11150	1.9
227.10657	1.6
232.12567	1.2
237.16414	1.2
239.14247	0.9
241.15776	1.0
247.14877	1.1
250.13354	0.9
252.12250	18.2
265.15836	7.3
275.14334	3.3
283.16943	4.1
293.15335	7.1
294.13235	1.3
311.16367	12.9
329.17386	1.1
353.17526	4.5
371.18539	3.7
413.19565	3.6
575.24738	4.5
604.29108	9.8
622.29816	9.2
647.57733	1.0
664.30988	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	826.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54900	0.8
59.43237	0.8
81.07046	1.1
91.05479	13.3
103.01408	1.2
105.07045	7.6
107.04947	1.0
113.65063	1.1
119.04935	51.7
119.08537	1.3
127.22513	1.0
129.06989	1.2
131.08556	1.6
133.06509	7.6
133.10106	1.3
134.09639	18.5
135.08113	1.6
143.02170	1.0
143.08575	1.9
147.04402	94.0
147.08057	1.9
149.05948	1.4
160.07552	1.0
161.22601	1.1
165.05455	2.0
179.63225	1.0
189.05449	6.4
193.10208	1.2
207.06422	1.3
210.11319	2.0
232.12500	1.5
252.12283	100.0
275.14105	1.2
293.15216	1.7
294.13492	5.8
311.57141	1.1
484.90933	1.1
601.88409	1.2
826.37561	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	826.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20313	3.5
58.35363	2.9
58.66389	3.0
65.31945	3.8
71.18311	3.3
84.90598	3.8
107.04951	83.8
134.09663	100.0
139.72964	3.7
149.05968	18.7
175.08574	3.7
179.08575	5.7
194.10408	4.0
194.11818	85.2
195.11671	4.4
198.70470	3.8
204.09335	16.9
209.13202	23.0
219.11714	21.1
221.13190	6.2
222.10402	5.7
236.12323	3.6
237.12814	25.9
249.16139	4.0
297.14798	6.5
385.15463	4.4
472.24728	16.7
532.27094	32.1
535.25256	4.1
648.34900	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	828.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04517	49.6
74.12606	0.5
81.07058	1.5
91.05479	3.4
93.07030	1.2
95.04945	1.4
95.08607	0.9
105.07033	4.6
107.04939	4.2
119.04926	7.9
119.08571	2.7
121.06487	0.7
129.06946	1.1
134.09648	100.0
135.08055	0.7
143.08556	1.5
145.10132	2.7
147.04402	8.2
147.08018	0.7
157.10095	4.4
159.08012	0.9
166.07785	0.7
167.08638	1.1
169.10075	1.3
171.08072	0.8
173.09581	1.0
179.08607	0.9
181.10107	2.9
183.11665	1.3
185.09621	1.0
187.11197	1.1
192.10240	21.3
193.10094	5.0
194.11737	3.7
195.11699	5.1
197.13216	0.9
199.11179	1.4
205.10159	1.1
206.10899	0.9
207.11679	6.2
209.13217	2.7
211.11197	1.5
215.10716	0.7
217.10068	1.0
219.11671	3.6
220.12511	0.9
221.13326	4.7
223.14748	1.5
225.12697	1.2
233.13219	1.6
234.11235	4.6
234.13954	2.4
235.11223	1.5
237.12773	3.1
237.16479	0.7
244.12616	1.1
247.14729	1.0
249.16373	7.6
251.14296	1.2
252.12233	8.0
259.14859	1.1
265.15793	3.0
267.17444	3.2
277.15802	5.8
279.17368	1.1
295.16849	5.5
311.16397	0.7
313.17935	0.8
337.17926	4.0
355.18896	1.5
397.20157	1.1
415.21085	0.8
445.67099	0.7
457.22287	0.9
588.29425	3.8
708.33710	2.6
768.35724	3.6
828.37317	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	828.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27341	0.2
67.05498	0.3
72.04520	8.7
79.05484	1.7
91.05479	2.3
93.07036	0.4
95.04955	0.6
95.08563	0.3
103.04739	0.3
103.05405	0.3
105.06995	1.4
107.04952	14.8
109.06507	0.5
110.29211	0.3
117.06998	0.5
119.08616	1.2
120.95414	0.3
121.06445	0.4
129.07004	0.5
131.04935	1.7
131.08556	0.7
134.09651	100.0
135.08040	0.6
137.47639	0.3
140.76775	0.3
143.08577	0.7
145.06458	0.4
145.10114	0.7
147.08026	0.4
149.05959	3.5
155.08546	0.5
157.10162	0.7
159.07985	0.6
161.56479	0.3
167.08589	0.5
169.10136	1.3
171.08174	0.4
173.09673	0.7
175.07568	0.4
176.10689	1.9
179.08531	1.1
181.10161	1.7
182.24463	0.3
183.11649	0.5
185.09583	0.7
187.11221	0.4
191.08754	0.3
192.09245	0.4
193.10109	0.8
194.11765	31.2
195.11667	1.3
197.09622	0.7
204.09283	0.4
205.10201	0.7
206.10907	0.5
207.11659	1.7
209.09579	1.2
209.13234	0.7
211.11218	0.6
217.10097	1.4
218.10951	0.4
219.11623	0.7
220.12538	0.6
221.09731	0.7
221.13261	0.6
223.11203	2.6
223.14812	0.6
225.12718	0.6
225.33777	0.3
230.10887	0.5
231.11633	0.6
232.12367	1.2
233.09608	0.4
233.13107	0.4
235.11148	1.5
235.14749	0.6
236.12807	12.5
237.12753	0.5
237.16464	0.7
247.14900	1.8
247.83376	0.3
248.12036	0.5
249.12669	0.5
260.11880	0.5
263.14368	1.8
265.12946	0.3
265.15964	1.6
275.14282	2.3
293.15390	2.7
311.16324	2.4
323.16452	0.4
335.16537	1.5
353.17487	1.5
413.19632	2.2
455.20795	0.4
473.22006	0.4
477.19302	0.3
606.30688	3.7
618.30066	0.6
648.31635	2.2
708.33350	2.4
768.35706	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	828.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
78.25789	0.5
85.41450	0.6
91.05473	10.1
91.62849	0.5
102.06015	0.5
105.07042	3.1
107.08552	0.6
107.77798	0.5
117.06990	0.6
119.04935	63.5
119.08582	1.8
123.08069	0.5
129.07021	0.9
131.08568	0.7
133.06471	4.8
134.09647	19.8
140.39005	0.5
145.10178	1.0
147.04401	100.0
148.11159	0.7
149.09604	0.6
159.08038	0.9
161.09628	0.7
165.05499	3.5
169.10077	0.8
189.05420	7.1
193.10158	1.2
195.11667	0.9
207.06575	3.8
207.11684	2.5
210.11261	3.3
211.11171	1.1
219.11731	0.9
223.11206	0.6
234.13953	0.8
235.11221	2.5
235.14891	0.7
237.12801	0.8
249.16370	0.8
252.12288	94.1
253.90109	0.6
262.13483	0.9
267.17371	0.9
277.15955	5.2
294.13306	5.5
295.16940	5.1
337.18042	2.6
355.18985	3.0
397.20139	0.8
457.22043	2.2
517.23956	0.8
656.93243	0.6
718.36859	0.7
768.35950	4.4
828.37280	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	828.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04526	0.4
74.91985	0.3
78.76994	0.4
79.05482	0.6
91.05478	5.9
93.07033	0.7
95.04966	0.6
95.08598	0.4
97.06521	0.3
104.36609	0.3
105.07053	1.3
107.04969	0.8
107.08601	0.7
109.06486	0.4
109.58018	0.4
119.04931	2.3
119.08565	0.7
121.10183	0.3
123.07995	0.4
129.06963	0.7
131.08578	0.7
133.10117	1.7
134.09650	100.0
135.08051	0.7
143.08510	0.6
145.10127	0.7
147.04433	2.7
147.08031	0.8
149.09581	0.7
155.08630	0.5
159.08029	0.5
159.11621	0.5
161.09581	0.5
164.10710	0.7
169.10086	0.4
171.07951	0.4
171.11670	0.7
173.09605	0.6
175.07500	0.5
175.11133	0.4
181.10060	0.6
183.11665	1.4
187.11263	0.5
193.10136	0.6
195.11655	0.7
197.13297	0.6
199.11136	0.7
207.11754	1.4
208.09738	0.4
208.12398	0.5
209.13315	0.5
210.11229	6.2
211.11354	0.4
219.11497	0.3
221.13292	0.4
225.12819	0.8
229.31326	0.4
233.09601	0.4
234.13927	0.6
235.11151	0.4
244.12503	0.4
247.11157	0.4
249.16420	1.4
250.10916	0.5
251.14290	0.4
252.12285	1.6
252.14951	0.5
253.15863	0.5
262.13431	0.6
267.17572	1.5
267.43784	0.4
277.15732	2.4
291.89438	0.5
295.16928	4.7
313.17996	1.6
337.17944	0.8
355.18860	3.0
397.20267	2.1
405.21506	0.3
415.21243	0.5
546.28308	0.5
606.30615	4.7
666.32623	4.3
717.96320	0.4
727.26569	0.4
768.36267	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	828.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58211	0.4
67.05502	0.6
78.82812	0.4
79.05482	2.5
81.07054	0.5
83.04980	0.8
85.02887	0.6
91.05470	3.7
93.07021	0.7
95.04970	1.2
95.08595	1.0
105.07040	3.0
107.04945	1.9
107.08591	0.9
109.06504	0.9
109.10175	0.8
111.04420	1.1
119.04932	7.4
119.08572	1.1
121.06470	1.0
121.10112	1.2
123.08066	2.0
131.08556	2.7
133.06490	1.0
133.10124	0.8
134.09648	100.0
135.04398	0.6
135.08046	2.5
137.09564	1.2
141.07001	0.7
143.08559	2.1
145.06479	1.0
145.10117	1.1
147.04407	14.5
147.08028	2.2
149.09605	3.3
151.11185	0.8
155.08592	0.6
157.10133	2.3
159.08037	1.0
159.11699	0.6
161.09602	2.4
169.10222	1.6
171.08057	0.6
171.11690	2.5
173.09581	1.0
173.13315	0.6
177.09149	1.0
181.10081	1.1
183.11697	2.3
185.09685	0.6
185.13237	1.1
187.11130	0.7
189.05460	0.9
195.11644	1.0
197.13239	1.0
199.11226	1.1
205.10219	0.5
205.12239	1.0
207.11700	1.2
211.11169	1.1
211.14769	0.6
213.12781	1.0
217.12120	0.7
225.12706	1.1
229.12218	0.6
234.13954	0.7
237.12556	0.6
239.17928	0.6
249.16402	1.1
252.12282	11.9
257.15451	0.5
262.13443	0.8
267.17468	3.6
277.15823	0.9
285.18604	0.8
295.16922	6.2
313.18024	9.5
331.18973	0.6
337.17969	0.8
355.19098	9.8
373.20020	1.1
415.21320	3.6
534.46289	0.5
606.30511	1.0
624.31476	2.3
666.32330	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	828.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58856	0.4
63.67619	0.4
68.71580	0.4
69.07064	0.4
72.04510	0.6
74.66012	0.4
79.05473	0.5
82.53006	0.4
88.07606	0.5
91.05479	9.9
92.18503	1.0
93.07059	0.9
95.04967	0.9
95.08613	0.5
97.06516	0.5
104.51404	0.4
105.07034	2.4
107.08566	1.7
117.06997	2.1
119.04934	33.5
119.08574	2.9
121.06514	0.4
121.10142	0.6
123.08051	0.4
129.07034	0.8
131.04861	0.5
131.08534	1.7
133.06464	2.2
133.10107	2.3
134.09647	100.0
135.08044	0.6
137.09615	1.0
141.06929	0.5
143.08566	1.8
145.06479	2.9
145.10130	0.6
147.04401	52.0
147.07999	1.5
149.09612	0.9
151.07550	0.4
155.08537	0.8
157.10118	0.7
159.08031	2.3
159.11809	0.5
161.09633	0.8
164.10632	0.6
165.05440	0.6
165.06952	0.5
167.08609	0.8
169.10152	0.7
171.11687	2.1
173.09625	0.8
173.13232	0.4
175.11214	0.5
179.08545	0.8
180.09258	0.5
180.79077	0.4
181.10149	2.2
183.10278	0.5
183.11688	1.8
185.09683	0.8
189.05475	3.3
189.12581	0.5
192.10477	0.5
193.10167	1.4
195.11647	0.9
197.09561	0.7
197.13358	0.9
199.11214	0.8
203.10750	0.6
204.09422	0.7
205.61050	0.4
207.06558	1.8
207.11711	2.5
208.09576	0.5
209.09618	0.6
209.13329	3.1
210.11276	5.6
211.11194	1.9
211.14761	0.5
213.12685	0.5
219.11711	2.3
220.12515	0.6
221.13365	0.6
222.10553	0.6
225.09038	0.4
225.12761	2.9
227.14297	0.7
233.13144	0.5
234.14114	1.0
235.14818	0.7
237.12691	5.9
239.17993	0.4
249.16393	2.5
251.14270	0.8
252.12286	53.1
253.12451	0.4
255.13835	0.8
262.13498	0.9
267.17432	2.2
277.15991	2.0
294.13354	5.6
295.16937	5.6
313.17993	3.4
337.18069	0.6
355.19171	2.9
357.17151	0.5
373.20474	0.5
397.20029	2.0
415.21021	1.7
457.22055	0.6
462.92844	0.4
593.35040	0.5
606.30701	4.4
666.32703	3.5
768.35101	3.2
828.38007	9.4
857.25916	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.4
69.03426	1.6
73.02921	3.1
79.05515	2.1
81.07064	3.2
85.02918	2.2
89.11760	1.3
91.03934	1.7
91.05547	2.1
93.07021	3.3
97.02932	2.9
105.07001	2.1
107.08605	2.0
109.10203	1.6
110.21278	1.5
119.08609	1.4
121.10173	2.0
133.10121	2.5
134.09648	7.8
150.52414	1.5
159.11696	2.1
164.26176	1.5
243.08505	7.3
244.62100	1.4
263.21219	1.6
301.08893	3.5
345.69421	1.6
413.00525	1.6
465.21118	2.9
525.23193	1.7
535.28601	16.8
580.92645	1.7
607.31366	2.7
632.62152	1.6
811.32178	1.5
829.50684	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	830.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12336	0.8
62.77569	0.7
79.05479	4.0
79.45668	0.8
82.31136	0.7
84.14324	0.8
91.05486	13.3
91.77140	0.7
93.07020	1.0
95.04954	4.6
95.32065	0.7
105.03390	100.0
105.07019	8.8
107.08590	3.1
118.06560	3.3
119.04916	2.6
119.08588	5.3
121.06503	3.2
121.10139	4.4
122.06020	47.7
123.08018	0.9
131.08521	0.9
133.06477	3.9
133.10127	1.7
135.08054	1.1
136.07567	1.8
145.06421	0.8
147.08063	3.7
149.06001	1.4
149.09621	4.9
161.05959	1.7
161.09673	1.0
177.09123	1.2
213.12584	0.8
281.15323	1.1
286.10703	41.9
287.46237	0.8
309.14795	1.2
327.15942	1.5
449.19772	3.8
491.20157	1.0
509.21622	6.1
606.88971	0.8
652.41394	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	830.358
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54063	0.8
72.04504	2.2
79.05511	1.1
81.48754	0.9
91.05466	16.4
95.04930	1.4
103.70019	1.0
105.07015	3.7
107.04971	3.5
117.06958	1.2
119.04933	62.4
119.08559	1.4
121.06477	1.4
125.98370	0.9
128.06184	1.1
129.06956	1.1
131.08646	1.2
133.06483	4.3
134.08618	2.2
134.09644	66.3
135.04413	1.4
135.08054	1.6
135.09970	6.4
143.08548	1.9
145.06367	1.0
145.10097	1.3
147.04391	100.0
149.06000	1.2
150.44376	0.9
155.08636	1.2
163.07520	1.1
165.05457	3.7
180.09184	0.9
189.05498	5.7
193.10233	2.0
194.10992	1.3
195.11700	2.0
197.09537	1.4
206.10789	2.2
207.06573	2.3
207.11665	1.8
209.13181	2.0
210.11299	4.1
218.10786	1.8
219.11694	1.2
221.13219	2.0
223.14844	1.9
233.13248	4.3
237.12747	2.2
244.13159	1.0
246.10439	1.0
251.14149	1.7
252.12277	83.3
261.12726	3.9
279.13818	4.6
294.13306	8.5
297.14871	3.9
442.59094	1.4
459.19952	3.8
655.17297	1.1
710.31696	10.4
830.35760	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	832.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48546	0.7
60.76754	0.6
69.95929	0.6
78.96101	0.7
88.57929	0.7
91.05476	11.4
100.00132	0.8
105.07065	1.6
106.17807	0.7
107.04974	1.0
109.06506	1.1
111.04477	0.7
117.06973	0.9
119.04936	64.1
121.06479	0.9
126.06384	0.9
131.04933	0.9
133.06468	4.3
134.09650	16.5
137.05995	1.4
143.08545	1.0
145.06480	3.0
147.04402	100.0
149.06010	0.9
157.06450	0.9
157.10236	0.7
159.08127	1.1
165.05499	3.8
169.06471	0.8
171.08112	1.6
175.07547	1.0
181.09874	0.9
187.07607	0.8
189.05435	5.7
194.11758	1.6
195.11685	1.6
197.09633	2.8
207.06514	2.8
207.11693	1.0
209.09531	1.6
210.11220	3.9
223.11160	3.8
225.09210	1.0
235.11209	1.4
237.12675	1.3
239.10588	0.9
247.11168	1.2
249.12634	0.8
251.10626	1.0
252.12292	74.3
253.12265	1.8
265.12155	2.8
269.11722	1.2
287.36444	0.8
293.11893	0.9
295.13428	1.5
311.12634	1.4
323.12674	0.9
329.13684	1.0
341.13910	1.1
371.14993	0.9
591.31976	1.0
832.33661	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94355	1.6
63.41035	1.7
64.13927	1.9
65.66652	1.9
67.05522	2.6
77.03940	2.0
79.05480	2.9
81.07043	1.8
83.04493	3.7
83.04984	100.0
91.05473	8.5
93.07028	3.5
95.04946	9.5
95.08570	2.9
100.07613	21.4
104.02329	1.9
105.03395	88.8
105.04513	7.7
105.07015	16.4
106.06546	2.7
107.04928	3.5
107.08550	3.3
108.96270	1.9
109.06538	2.1
115.50284	2.1
118.06529	4.0
119.08573	10.2
121.06504	11.4
121.10110	4.2
123.08082	4.5
131.08575	3.0
133.06502	11.5
133.10129	11.7
134.09647	8.3
135.08078	3.1
141.43355	1.8
143.08554	4.1
145.06435	2.0
147.08055	2.6
149.05939	3.5
149.09557	4.5
157.10121	2.6
159.08076	4.6
161.09590	4.1
167.08601	2.5
169.10149	2.8
171.11642	4.4
173.09555	3.4
175.07521	3.5
177.09023	2.2
179.08580	2.3
180.09395	2.9
181.10168	2.2
185.09691	1.9
193.10110	7.1
194.11911	1.9
195.11720	3.6
197.09555	3.5
199.11133	2.7
206.10930	4.0
207.11714	2.7
209.09628	3.4
209.13225	3.9
211.11183	3.0
211.14767	2.2
213.12804	2.5
218.11777	11.8
220.12436	2.4
221.09520	2.9
221.13298	3.9
226.46440	1.9
235.14998	2.1
237.12869	2.9
239.14337	3.6
245.13177	2.6
246.11153	6.8
247.09679	2.0
253.15781	2.2
263.14240	3.7
264.12308	43.6
281.15308	3.6
291.13834	3.9
297.14786	2.0
309.14786	10.8
309.18124	2.0
327.15955	11.5
345.16913	2.8
369.17078	2.4
387.17938	7.8
491.20352	2.3
509.21716	19.2
727.60077	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	832.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03388	2.0
72.50108	1.4
77.03940	1.3
79.05476	2.5
81.03410	1.5
81.07040	1.8
83.04983	100.0
91.05471	8.2
92.18484	1.4
93.07024	5.8
93.93228	1.5
95.04954	7.6
98.98885	1.3
99.63627	1.3
100.07614	18.3
105.03391	63.3
105.04515	3.4
105.07021	10.8
107.08617	3.2
109.06493	1.7
109.10162	1.5
114.02999	1.4
117.07001	1.6
118.06522	6.4
119.04919	2.5
119.08585	6.8
121.06490	8.9
121.10108	3.0
123.08084	6.8
129.06972	1.6
133.06505	10.2
133.10141	5.8
135.07985	2.9
136.07535	1.7
137.98865	1.4
143.08557	2.9
145.06560	2.3
147.08026	3.4
149.05939	6.2
149.09639	5.1
151.07573	2.2
151.78067	1.4
157.10158	2.1
159.08022	3.1
161.06017	2.5
161.09583	6.0
167.08554	1.4
169.10037	2.5
177.05423	2.1
179.08508	2.4
182.10899	2.6
183.11679	3.5
185.09531	2.0
193.10147	1.9
195.11717	3.4
199.11154	2.7
206.10905	5.8
209.13170	4.9
211.11145	2.7
211.14876	2.6
213.12706	2.1
218.11745	13.3
220.12334	2.6
221.13261	6.2
223.11237	5.4
235.14871	3.2
237.12723	3.4
239.10655	1.5
239.14308	2.4
246.11304	6.3
247.09514	1.7
248.11932	1.8
249.12779	1.6
251.14351	1.9
253.15921	2.7
263.14334	3.2
264.12292	43.6
281.15381	9.9
291.13864	5.3
299.16479	2.2
309.14862	7.6
327.16022	12.4
345.17035	3.2
369.16876	7.4
387.17822	3.4
509.21530	21.2
569.23248	2.8
580.14496	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	832.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53342	1.6
77.03916	1.7
91.90648	1.7
92.18518	3.4
95.04929	1.8
105.03389	100.0
105.07006	2.0
125.29452	1.6
131.56161	1.5
133.06462	3.3
136.08690	1.6
142.32327	1.5
155.08583	2.1
159.08113	1.8
177.43735	1.7
181.10149	3.8
183.11713	3.3
192.09326	2.8
193.10109	2.4
195.11702	9.6
197.13252	2.9
199.11064	2.0
207.11685	16.9
209.09613	7.4
211.11177	10.6
220.08844	6.7
223.11163	14.5
223.14955	1.7
225.12698	11.3
233.24623	1.8
235.11154	21.1
251.14287	2.5
253.12143	18.8
265.15939	3.2
271.13251	1.7
275.14282	2.8
293.15329	11.0
295.13126	3.2
311.16391	2.2
313.14313	3.8
357.14920	7.9
373.16318	2.8
375.16052	2.9
387.16010	1.6
391.17371	8.4
417.16922	7.2
431.20685	3.1
549.08514	2.0
675.27185	2.1
684.63312	1.5
828.26282	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	832.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98642	0.3
79.05496	4.5
81.03445	0.3
85.11076	0.4
91.05477	3.4
93.07035	0.4
95.42676	0.4
96.61610	0.4
105.03406	5.1
105.07014	0.8
107.04951	75.4
119.04939	0.7
134.09636	10.2
135.09969	3.9
136.10309	0.6
138.38914	0.3
143.08563	0.5
147.04376	0.5
149.05971	16.6
150.48361	0.4
166.13255	0.4
167.08583	2.0
167.85480	0.4
169.10057	0.8
175.23099	0.4
179.08556	1.9
180.09270	0.7
181.10121	2.3
181.36684	0.4
191.08473	0.5
192.09361	0.9
193.10176	1.9
194.11772	100.0
195.11678	2.7
204.09302	3.4
207.11794	1.6
209.13219	9.2
210.11270	2.6
211.11223	0.6
219.11667	8.2
221.13365	0.6
222.10349	0.9
237.12709	12.3
255.13866	0.9
279.13785	2.4
283.25293	0.4
297.14902	2.4
314.17896	0.4
339.15976	0.8
534.28333	0.7
791.27850	0.5
793.58539	0.4
832.39771	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	832.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	1.1
75.63451	1.0
77.03921	1.2
79.05502	8.0
88.07608	1.2
92.18479	2.0
95.04939	2.1
101.60386	1.2
105.03398	24.2
105.04524	1.4
105.07018	1.5
107.04958	78.8
107.05690	2.8
117.87991	1.1
129.06950	1.8
131.04970	2.4
134.09659	100.0
149.05968	16.5
155.08522	1.9
159.08119	1.1
167.08565	8.1
169.10088	2.7
179.08578	6.7
180.09370	4.6
181.10133	6.1
183.11711	2.0
191.08577	2.2
193.10172	5.9
194.11818	68.8
195.11684	5.0
203.08557	2.0
204.09315	8.9
205.10124	1.3
206.10957	7.6
207.11722	6.6
209.13252	18.4
211.11156	1.9
219.11688	23.8
221.09650	1.2
221.13197	14.8
222.10422	5.0
237.12738	23.5
239.14304	4.4
249.16147	1.6
259.99829	1.1
277.15808	1.7
279.13727	2.0
281.15457	4.3
286.60980	1.6
297.14893	8.3
472.25006	12.2
490.25507	2.1
532.26892	38.9
592.29590	3.6
594.28522	4.9
654.30542	21.2
832.38800	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	832.39
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23151	0.7
65.62800	1.0
66.68178	1.0
70.78516	0.9
72.04517	2.1
79.05476	10.3
81.03425	1.0
81.11773	0.8
87.51054	0.9
88.07595	0.9
91.05496	1.3
95.04966	3.5
105.03390	22.9
105.07045	1.9
107.04950	76.7
131.04958	1.0
133.88469	1.1
134.09639	100.0
149.05972	17.1
165.07016	1.5
167.08521	6.9
169.10110	3.9
179.08534	9.2
180.09367	1.5
181.10066	6.5
183.11693	1.2
191.08508	2.0
192.10246	1.5
193.10196	4.7
194.11816	57.5
195.11716	6.6
203.08578	1.5
204.06305	1.0
204.09326	10.0
206.10979	6.0
207.11646	7.9
209.09576	0.9
209.13196	24.8
211.11189	1.5
219.11679	19.0
221.13271	14.2
222.10460	4.9
236.12714	1.8
237.12720	21.2
239.14430	4.0
244.12550	1.3
273.07495	1.1
277.15881	1.0
279.13818	1.7
281.15427	2.2
297.14801	7.4
339.15900	1.7
422.19394	1.0
472.24619	10.3
490.25797	4.8
532.26880	39.4
592.28796	1.8
593.26404	1.0
594.28699	3.8
654.30591	28.9
678.85669	1.0
714.33209	1.1
832.38660	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	832.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10707	0.7
59.72890	0.9
60.96562	0.8
72.04514	1.3
79.05495	10.1
91.05474	1.8
92.18481	1.2
95.04939	3.9
105.03397	26.3
105.04520	1.0
105.07038	1.1
107.04954	85.6
128.01163	0.8
129.06967	0.9
131.04947	3.7
134.09650	100.0
143.08606	1.2
144.04390	1.1
149.05983	16.1
155.08498	1.9
165.06970	2.0
167.08585	5.0
169.10127	3.7
178.07613	1.1
179.08551	9.8
180.09375	2.1
181.10118	6.6
183.11726	1.7
191.08485	2.8
192.10277	1.5
193.10132	7.3
194.11816	75.2
195.07933	1.0
195.11684	7.0
203.08467	1.4
204.09367	12.9
206.10909	6.8
207.11604	6.6
209.13264	22.2
211.11072	1.5
211.14859	1.6
219.11679	24.7
221.09825	1.2
221.13191	14.9
222.10425	6.0
235.11153	1.5
236.12755	1.6
237.12733	22.7
239.14316	6.2
249.16396	0.9
254.18173	0.9
279.13809	2.1
281.15436	1.2
297.14667	9.6
339.15952	1.4
472.24567	11.1
490.25919	3.9
532.26941	37.9
592.28705	4.5
594.28320	5.3
629.49304	0.9
654.30444	26.9
714.32391	1.6
832.38568	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	832.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15945	0.7
79.05525	0.7
81.03408	1.2
83.04906	0.8
91.05481	1.5
92.18512	1.8
93.07027	1.5
95.04967	4.3
95.08584	1.0
105.03392	100.0
107.04971	3.7
107.08620	0.8
111.29908	0.8
117.06967	0.9
119.04890	0.8
134.08626	1.0
134.09653	29.5
136.06160	0.9
147.04395	1.5
150.09253	0.7
164.10667	1.2
181.10211	0.9
191.08652	0.8
193.10098	1.2
194.11786	3.3
195.11710	1.4
206.10925	0.7
207.11707	1.0
209.13261	1.2
219.11710	0.9
221.13350	1.1
261.16324	0.9
269.08228	0.9
273.02686	0.7
279.17346	1.6
314.13849	39.8
356.14954	3.2
496.21854	0.9
532.26941	1.3
572.47089	1.1
772.37323	0.8
798.73615	0.8
832.45654	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	832.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	0.8
83.55466	0.6
89.30603	0.6
91.05455	1.2
91.47206	0.6
95.04959	4.2
105.03391	100.0
105.07011	1.0
107.04955	4.0
119.04925	0.7
119.08561	0.8
121.06591	0.6
131.08569	0.9
133.08746	0.7
133.10083	0.9
134.09654	25.6
143.08618	0.8
145.10222	0.8
148.11191	0.8
149.09639	0.8
150.09088	0.6
152.16031	0.6
157.10139	1.0
164.10687	0.8
180.09245	1.1
181.10001	1.2
192.73647	0.6
193.10220	0.8
194.11736	4.0
195.11676	1.4
208.45245	0.6
209.13316	2.5
210.11028	0.6
221.13187	1.3
222.10548	0.7
237.12753	0.7
279.17496	1.4
297.18320	0.7
314.13852	42.9
356.14963	3.4
446.53522	0.7
473.11169	0.7
532.26947	1.1
654.31091	0.9
772.36804	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	832.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12975	19.1
75.71370	21.8
79.94971	20.2
84.00839	21.1
131.04915	100.0
187.45486	23.9
209.13272	28.8
219.11754	37.0
237.12758	47.8
279.13824	30.3
286.90512	24.7
352.47470	25.2
457.21994	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	1.2
77.03903	1.6
79.05486	2.3
81.03418	1.3
81.07060	2.2
91.05450	1.8
93.06963	2.0
95.04972	16.7
97.06524	2.6
103.05457	5.5
105.03394	100.0
105.04514	5.6
105.07021	5.8
109.06503	11.3
111.08092	1.4
113.06019	5.0
117.07016	6.0
119.04934	3.0
121.06474	2.7
123.04408	5.1
123.08102	1.3
125.05987	7.2
129.06970	2.9
131.04936	17.2
131.08540	1.8
133.06502	1.3
137.06029	1.2
139.07536	5.3
140.80737	1.1
141.05408	1.2
141.06961	2.4
143.08548	4.5
145.06470	11.9
147.08025	2.6
151.07651	1.4
153.06944	1.8
155.08566	6.4
157.06464	5.5
157.10127	1.5
159.08058	2.9
161.05890	2.9
163.07523	1.7
165.07111	1.9
167.08531	4.3
169.06477	1.9
169.10190	1.7
171.08029	6.6
171.11536	1.2
175.07570	2.4
179.08510	2.4
181.08501	5.0
181.10104	7.9
183.08072	8.0
183.11696	1.7
185.06039	1.5
185.09685	1.7
187.07500	4.5
191.08380	1.5
192.09346	1.9
193.10141	7.6
194.10919	2.1
195.08063	1.8
195.11661	11.1
197.09654	5.0
199.11232	4.5
201.09084	4.5
204.09395	1.9
205.10103	2.4
207.08087	1.6
207.11693	6.7
208.08867	1.5
209.09589	5.3
209.13254	5.0
210.10324	1.4
211.07460	1.9
211.11150	5.4
213.09138	1.8
213.12759	2.9
218.10863	1.3
219.11684	10.1
221.09557	4.6
221.13161	2.1
222.10336	2.1
223.11168	11.5
225.09076	2.2
225.12669	2.9
231.11613	1.8
233.13176	1.9
234.10388	1.8
235.11148	9.2
236.11876	2.3
237.09151	1.6
237.12608	11.4
239.10789	4.9
241.12196	7.1
246.10391	1.2
247.11168	6.9
249.12746	6.4
251.10619	1.5
251.14275	5.3
253.12234	6.7
255.13834	1.8
261.12665	5.3
265.12216	18.5
267.13705	1.5
277.12292	1.8
279.13779	8.2
283.13281	15.7
295.13239	11.8
297.14874	5.3
307.13116	13.2
313.14462	9.8
325.14322	42.0
343.15518	9.8
355.15521	2.5
367.15350	11.3
385.16376	21.4
403.89633	1.3
415.17648	1.8
427.17566	7.7
429.16702	1.7
440.90958	1.4
445.18588	16.9
447.17953	6.9
487.19861	2.0
489.18961	4.7
507.20132	8.9
542.95026	1.3
549.21118	14.4
609.23199	13.9
669.25592	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	834.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71235	0.7
59.95111	0.7
66.64941	0.8
69.07066	0.9
75.89733	0.9
81.07085	1.4
91.05490	15.4
93.07028	1.0
95.04953	0.9
97.06555	3.5
99.04476	0.9
101.02390	0.9
105.07048	4.0
107.08597	1.2
109.06522	1.4
117.07006	1.1
119.04944	68.8
119.08598	4.1
121.06493	1.2
125.05995	4.1
128.06329	1.1
129.03238	1.0
129.07013	1.8
131.08583	4.3
133.06517	4.5
133.10194	1.4
134.09663	18.3
135.07977	1.0
143.08612	7.0
145.06450	1.5
145.10150	4.5
146.17917	0.9
147.04413	100.0
147.08098	1.4
149.98466	0.9
153.05519	1.3
155.08556	6.2
156.09332	1.3
157.10115	6.9
159.08099	5.6
161.09586	1.1
163.07564	1.3
165.05457	3.6
167.08537	1.6
169.10127	8.7
171.08066	4.7
171.11697	8.9
173.09634	3.3
181.10161	2.0
182.10902	2.1
183.08112	3.7
183.11760	7.2
185.09607	4.3
185.13269	1.8
187.07584	1.7
189.05530	5.7
193.10204	1.2
194.10910	1.4
195.08092	1.3
195.11743	5.9
196.12599	1.4
197.09698	3.9
197.13162	7.9
199.11183	1.2
201.09164	1.4
206.11032	1.0
207.06570	4.8
207.11736	6.2
209.13217	7.2
210.11313	2.0
211.07738	0.9
211.14902	5.2
213.09106	5.2
213.12833	2.1
215.10727	1.4
217.08319	1.0
221.09781	1.3
221.13300	3.8
222.10580	1.8
223.11217	3.9
223.14883	1.8
224.12099	1.3
225.12712	6.8
227.10796	1.6
227.14352	1.5
229.08682	1.1
231.10194	1.5
233.13300	2.0
233.32364	0.9
234.10469	1.1
236.11887	1.1
237.12778	6.3
239.14377	4.8
241.12294	1.3
243.13756	1.5
247.11356	1.2
251.14410	4.2
252.12306	60.5
255.10056	1.1
255.13821	1.9
257.15558	1.2
265.12216	4.4
267.13879	3.6
279.13950	4.9
283.13336	3.8
285.14972	3.9
294.13943	0.9
297.14944	5.9
307.13214	1.7
315.16168	1.8
325.14301	8.7
329.94171	1.0
343.15408	14.9
385.16595	5.0
403.17606	6.8
445.19037	2.0
463.19809	9.0
477.74915	1.3
523.21582	1.6
741.55432	1.1
834.35327	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44662	0.7
77.03932	1.2
79.05489	9.3
95.04951	4.6
105.03394	51.0
107.04954	92.6
120.08100	13.0
149.05972	19.6
155.08545	1.6
162.85760	0.8
165.06989	0.8
171.08055	1.2
179.08554	0.9
180.10193	100.0
181.10159	4.2
183.11716	1.8
192.09363	4.0
193.10075	3.4
195.11710	3.8
197.13216	1.2
207.11676	6.4
207.65347	1.0
209.09583	4.2
210.10396	1.6
211.11215	3.6
220.08810	1.7
223.11185	2.1
225.12776	4.9
227.10654	1.7
235.11206	5.3
242.97427	1.0
253.12247	5.5
269.11710	3.3
290.96756	1.1
295.13284	1.0
313.14246	2.1
330.25040	0.9
331.13367	1.6
355.15509	3.5
357.14752	1.7
649.61798	1.2
660.40735	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	834.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22083	0.7
66.42118	0.6
77.03922	1.5
77.79171	0.6
79.05487	7.8
83.51835	0.7
95.04939	3.4
105.03387	43.4
105.04467	1.4
105.07021	1.2
107.04949	88.9
111.38474	0.8
120.08105	6.5
129.51083	0.7
134.09653	1.0
149.05986	19.1
165.06906	1.1
169.10194	0.8
180.10182	100.0
181.10159	3.5
182.10904	0.9
183.08073	1.2
183.11746	1.4
192.09325	3.9
193.10146	3.0
195.11687	3.7
197.13240	1.3
205.09990	0.7
207.11688	5.2
209.09639	3.1
211.11116	1.7
223.11134	3.5
225.12785	3.1
227.10706	1.3
234.77286	0.7
235.11139	4.4
253.12253	4.8
269.11896	0.9
295.13162	1.2
300.21249	0.8
313.14203	2.5
331.13126	1.2
355.15295	3.7
357.14679	1.0
782.80664	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	834.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55796	1.6
74.06084	3.8
77.03932	3.3
79.91273	2.1
83.04978	8.6
85.06524	4.9
91.05479	38.4
91.15585	2.0
93.07032	9.6
95.04942	17.7
95.08588	2.1
97.63920	2.0
102.09155	14.3
102.22158	2.0
105.03400	100.0
105.04503	3.9
105.07009	18.4
106.06543	2.7
107.04940	3.8
107.08595	4.3
109.06566	2.8
118.06541	11.3
119.04967	14.8
119.08544	7.7
120.03042	2.0
121.06487	12.7
121.10121	4.7
123.08054	4.6
131.08583	2.1
133.06494	13.0
133.10139	16.6
135.08044	3.7
136.07579	25.1
143.08548	2.8
145.06558	3.5
147.08090	2.4
149.05981	2.8
149.09619	4.8
155.08585	3.7
157.10139	2.9
159.08037	11.2
161.05957	2.9
161.09636	7.6
167.08578	3.0
169.10153	3.3
172.00520	2.5
173.09700	3.2
177.09184	3.0
179.08493	2.9
181.10278	4.0
182.08148	22.1
183.11647	4.1
185.09619	3.8
187.11249	2.1
193.10187	4.1
194.10966	2.8
195.11659	4.8
197.09750	2.3
197.13246	4.7
204.09375	3.4
206.10797	3.5
207.11642	3.3
209.09734	2.3
209.13263	10.6
211.11154	3.1
211.14758	2.7
213.12752	2.9
219.11719	7.4
220.09540	2.1
220.13385	15.0
221.13333	4.7
222.10425	3.0
223.11140	2.5
225.12904	2.3
227.14238	2.6
233.09439	2.3
237.12695	15.6
239.14279	9.0
245.13313	2.0
248.12622	12.6
255.13780	4.1
263.14377	10.9
266.13812	49.2
281.15338	8.8
291.13852	3.9
297.14795	2.4
309.14877	14.7
320.55612	2.1
327.15961	21.1
349.12918	2.0
370.16428	2.0
387.17911	4.8
405.19696	2.9
449.19547	2.6
473.92551	2.4
491.20670	3.4
509.21606	27.8
647.37579	2.3
859.52570	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	834.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89230	2.0
71.04980	3.9
81.07029	2.3
81.81287	2.1
91.05482	30.9
93.07042	8.6
95.04949	12.3
102.09184	100.0
105.03397	85.8
105.07027	10.2
107.08575	4.5
113.53217	2.7
117.61251	2.1
119.04942	10.9
119.08565	5.0
120.08079	11.5
121.06484	4.3
121.10110	4.1
131.08582	2.5
132.08066	28.6
133.06488	13.1
133.10164	4.2
135.08026	4.7
139.19838	2.1
142.91473	2.3
143.08566	5.0
147.08031	2.6
149.09674	2.5
150.09143	32.3
157.10056	3.7
159.08008	3.2
161.09702	3.0
165.07018	2.4
169.10126	3.8
185.09641	3.4
193.10114	4.0
194.10869	2.3
195.11703	3.7
196.09856	17.7
197.09692	3.2
199.11194	2.4
206.10951	4.3
209.09570	3.4
209.13287	4.7
211.11298	3.9
220.13333	16.4
223.11156	4.3
223.56305	2.5
224.11916	3.5
239.14496	3.3
248.12846	33.1
253.15805	4.4
263.14407	4.7
266.13815	47.9
281.15424	5.2
291.13730	3.7
309.14853	12.3
327.15945	15.2
346.51791	2.5
491.20395	3.7
493.00778	2.5
509.21808	22.8
553.00214	2.3
569.24176	8.6
644.41394	2.9
655.25446	2.6
779.87640	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	836.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91885	0.5
65.54376	0.6
66.21330	0.4
69.07076	0.7
77.03922	0.8
79.05476	1.2
91.05478	7.1
92.18489	0.7
93.07048	3.9
95.04961	5.4
103.05476	0.7
105.03394	100.0
105.04521	2.5
105.07005	3.4
107.04939	1.2
107.08634	0.7
109.06549	0.6
117.06952	0.6
118.06533	7.3
119.04933	2.9
119.08563	2.2
119.87587	0.5
121.06455	4.0
122.06036	12.1
131.08592	2.3
133.06485	2.9
133.10091	2.4
135.08044	2.0
143.08559	1.2
145.06438	0.6
145.10165	1.0
149.05978	3.0
149.09647	1.2
155.08508	1.1
157.10043	0.8
159.08014	4.1
161.09665	4.6
167.07079	0.5
167.08516	0.7
169.10083	1.1
177.05499	1.3
177.09113	0.8
179.08493	2.2
181.10037	2.1
183.07932	0.6
183.11729	0.8
189.09177	0.6
192.09247	0.8
193.10138	3.6
194.10909	0.9
195.08070	0.7
195.11726	3.3
197.09628	2.1
197.13330	0.6
199.11217	0.6
205.10146	0.7
206.10918	1.0
207.11687	1.3
209.09653	0.9
209.13181	0.9
211.11157	3.4
213.12836	0.7
218.10959	0.9
219.11734	1.1
220.12444	2.7
221.13161	1.0
222.10460	0.8
223.11264	3.1
223.14627	0.6
230.10883	0.9
233.09599	1.1
234.10446	0.6
235.14833	2.6
237.12718	3.4
239.14328	0.8
240.10147	12.7
245.13272	1.0
248.11980	0.7
249.12668	0.7
251.14314	2.3
253.12215	0.8
253.15880	1.3
258.10391	0.6
263.14304	5.9
265.12268	0.7
267.13736	1.0
268.09662	7.6
279.13824	0.8
281.15369	4.9
286.10739	11.1
291.13733	3.7
299.16382	2.3
309.14786	9.9
327.15891	6.4
369.17047	3.3
372.12479	0.6
387.17899	2.3
431.18759	0.9
473.19925	2.2
491.20465	3.9
502.60623	0.7
509.21658	3.0
551.22986	2.2
655.24878	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	836.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34120	3.2
65.98691	3.3
70.54511	2.7
74.06068	6.5
79.05464	6.2
89.62740	3.0
91.05487	3.5
96.04247	58.5
97.11802	3.0
99.00599	4.4
107.04959	63.8
112.26972	3.6
132.08136	4.7
134.09651	68.3
141.01584	6.1
142.06242	3.2
147.07993	3.4
148.32602	2.8
149.05931	7.3
150.09097	6.3
157.10083	3.5
169.10194	4.9
179.08511	5.3
192.10248	7.5
193.10178	11.6
194.11832	55.1
195.11671	6.0
200.06761	4.1
204.09340	5.2
206.10870	5.3
207.11710	4.5
209.13263	17.9
214.08389	32.3
219.11696	15.7
220.09694	5.3
221.13277	13.5
231.11768	3.0
237.12779	20.6
242.07867	66.3
260.08905	100.0
277.15851	5.4
295.17050	4.7
297.14856	7.5
377.17267	4.9
402.21255	4.0
419.18283	13.5
472.24615	7.2
479.20493	5.9
516.06714	3.4
532.26782	23.7
541.22076	3.5
554.25464	14.2
568.52600	3.1
599.23865	5.8
614.27417	44.5
656.28149	35.9
658.33527	15.3
674.29260	31.7
710.52490	3.3
716.30585	55.8
734.31421	15.0
776.32880	29.4
836.34033	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	836.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61372	1.4
63.95356	1.4
64.41283	1.6
79.05487	9.2
81.03426	1.7
90.53584	1.7
107.04948	94.2
117.32481	1.4
131.04875	3.1
134.09648	100.0
145.45323	1.4
149.05971	20.8
165.06937	2.5
167.08505	3.2
169.10037	3.5
179.08600	8.6
180.09283	2.1
181.10126	9.0
191.08646	1.7
192.09131	1.5
193.10106	8.9
194.11816	85.0
195.11708	6.5
203.08426	1.5
204.09341	9.5
206.10939	3.0
207.11758	6.4
209.13242	19.7
211.11136	2.4
211.14825	2.0
219.11743	18.6
221.13223	16.2
222.10417	5.5
236.12576	1.9
237.12720	26.4
239.14256	3.0
281.15244	2.0
297.14844	9.9
341.17636	2.1
472.24808	8.2
490.25632	6.2
532.26935	44.4
550.08875	1.6
592.28949	3.0
598.31586	5.4
658.33795	30.8
836.41797	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	839.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10181	1.1
67.05485	1.5
81.92229	1.3
91.05493	2.1
95.04975	9.4
97.06532	1.9
105.03396	65.5
105.04469	1.8
105.07054	2.4
109.06512	2.8
113.06019	6.7
117.07024	1.4
123.04412	1.2
125.05975	2.7
128.45427	1.4
131.08522	1.5
141.06989	1.5
143.08606	2.2
145.06511	7.4
147.08023	1.3
155.08517	2.3
157.06538	1.7
159.08102	1.4
161.05913	2.0
161.09639	1.2
169.06506	2.5
169.10179	1.4
171.08078	2.5
173.09610	1.4
179.08511	2.2
181.10193	6.7
183.08067	2.6
185.09734	1.6
187.07567	2.0
193.10158	6.3
195.11629	2.5
199.07535	1.5
203.07059	1.3
206.10941	1.2
207.11699	1.7
209.09779	2.5
211.11197	2.5
213.12654	1.5
221.09595	1.6
221.13307	1.3
223.11214	6.4
225.12723	1.8
235.11227	2.4
237.12762	5.4
241.12216	1.9
247.11159	1.4
249.12794	1.4
251.14357	1.9
263.10678	1.7
265.12292	4.5
267.13745	1.8
270.92484	1.2
279.14200	1.2
283.13330	2.3
295.13391	8.0
307.13367	1.8
325.14392	6.7
348.20676	1.1
405.52283	1.3
407.14862	1.4
467.16705	2.0
691.23718	16.7
839.28741	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	79.0
79.05470	86.7
81.07063	100.0
91.05456	22.5
93.07056	84.4
95.08573	28.1
105.07015	40.9
107.08572	34.2
109.10194	25.2
111.08009	26.4
112.47687	26.2
119.08568	76.7
121.10142	33.0
131.08492	19.8
133.10110	34.4
135.11749	22.6
143.08603	28.9
145.10204	25.9
171.11940	25.6
194.03465	20.9
196.19455	19.5
199.14984	27.8
219.38380	20.7
240.34187	18.3
250.66948	21.6
259.20627	27.2
468.46408	22.0
481.44363	21.8
527.37299	45.1
592.21649	20.8
607.43103	47.0
625.44238	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	840.6554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36403	5.7
67.05493	46.7
73.80940	5.3
76.38243	6.1
79.05479	10.3
80.37955	5.7
81.07046	60.0
83.08615	7.3
91.05475	6.5
93.07029	15.3
95.08582	76.6
107.08586	9.5
109.10138	38.3
121.10128	35.0
123.11684	13.8
133.10092	32.8
135.11696	29.0
149.13214	8.4
151.11279	8.1
159.11577	7.7
168.68277	6.7
184.07372	6.5
213.86884	7.1
215.17970	29.8
216.70490	6.0
233.18990	11.3
251.20067	100.0
269.21121	51.5
299.63776	6.1
519.40125	7.7
537.41718	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	842.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05068	0.6
67.31107	0.5
67.95251	0.6
72.04498	4.3
78.69228	0.6
79.05502	1.2
81.03405	1.1
82.72073	0.6
91.05481	6.9
93.07030	1.3
95.04964	1.0
100.46818	0.7
100.81985	0.7
102.03812	0.7
105.07023	3.1
107.08596	1.2
109.06510	0.8
117.06975	0.7
117.61603	0.6
119.04936	16.5
119.05765	1.1
119.08569	3.3
121.06477	1.2
131.08533	0.9
133.06488	2.4
133.10141	0.9
134.09645	100.0
135.08055	2.8
143.08524	1.5
145.06438	1.0
145.10104	0.9
147.04401	26.0
147.08038	3.1
149.05997	0.8
149.09641	1.5
155.08606	2.1
156.09349	0.8
157.10136	2.4
159.08034	2.6
161.05933	1.0
167.08543	0.8
169.10078	1.1
171.08087	1.2
173.09581	2.5
175.07549	0.8
177.09131	1.4
179.08545	1.2
181.10101	2.9
183.07993	0.8
183.11758	0.9
185.09607	3.2
187.07484	0.9
187.11157	1.4
189.05417	2.8
189.09129	0.8
192.10199	1.1
193.10088	2.5
195.11720	2.8
197.09627	3.3
199.11203	1.3
204.57314	0.7
205.10228	0.8
206.10893	2.6
207.06424	0.8
207.11638	1.4
208.12494	0.7
209.09616	1.6
209.13301	1.0
211.11229	2.8
218.10977	0.8
219.11736	1.0
220.12492	1.0
221.13295	1.5
223.11186	2.8
224.11934	0.8
225.12662	1.1
227.10667	0.8
233.13220	1.4
235.11336	0.8
237.12816	1.2
239.14349	0.9
245.13321	0.7
248.11931	0.9
249.12666	1.2
251.10808	0.7
251.14301	3.4
252.12273	25.6
261.12805	0.9
263.14212	1.1
267.13809	1.2
269.15439	0.9
279.13718	4.5
281.15378	1.5
291.13705	1.3
294.13348	3.6
297.14783	2.5
309.14709	7.1
321.15027	0.8
327.15921	3.0
351.15625	1.0
369.16791	2.6
392.20743	0.7
411.17804	0.8
429.18793	2.4
591.24585	1.2
594.25934	0.9
620.28351	9.6
638.29797	0.7
662.29541	9.9
680.30707	3.9
722.31683	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	842.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52699	0.5
72.04513	5.9
79.05497	1.3
91.05481	7.1
93.07024	0.9
95.04971	1.2
95.08594	0.9
100.05177	0.7
105.07027	3.8
107.08558	2.4
109.06510	1.1
113.76477	0.7
117.06989	0.8
119.04928	15.8
119.08572	2.5
121.06460	2.8
121.10149	0.7
123.08082	0.9
129.06979	1.4
131.08583	0.7
133.06477	3.0
134.09648	100.0
135.08072	2.9
143.08553	2.5
145.06461	1.0
145.10147	0.9
147.04393	26.9
147.08064	3.2
149.05937	0.8
149.09618	3.1
151.47824	0.6
155.08563	2.5
156.81581	0.7
157.10118	3.5
159.08057	2.5
159.11676	0.8
161.05980	0.7
161.09564	1.3
163.07547	0.9
165.06870	0.7
167.08496	1.0
169.10130	0.8
173.09628	2.6
175.07607	0.8
177.09094	2.5
179.08475	1.4
180.09396	0.8
181.10107	2.6
183.11707	1.0
185.09616	3.1
187.11160	0.8
189.05469	1.2
192.10236	1.3
193.10103	2.4
195.08090	1.0
195.11667	2.6
197.09662	2.8
197.13300	0.7
203.10577	1.1
205.10046	0.7
206.10806	0.8
207.11633	2.6
209.09645	1.3
211.11182	2.4
213.09154	0.7
213.12706	0.8
218.10947	0.9
219.08102	0.8
219.11719	0.7
221.09560	0.9
221.13461	0.8
223.11230	2.5
223.14897	1.1
225.09038	1.0
225.12694	1.1
227.10681	0.9
230.10852	1.0
233.09595	0.8
233.13245	1.3
235.11157	0.7
235.14760	1.1
237.12654	1.4
239.10675	0.7
239.14262	1.3
241.12207	0.8
245.13210	0.9
246.10246	0.8
248.12059	1.0
251.14307	1.4
252.12279	24.8
261.12698	1.1
263.14236	3.3
267.13840	0.8
279.10736	0.7
279.13678	4.2
281.15320	3.2
291.13861	1.3
294.13495	5.5
297.14737	0.9
309.14801	5.6
327.15823	3.1
351.15988	0.7
369.16925	3.4
403.75494	0.7
411.17996	0.8
429.19101	0.8
471.20276	1.0
591.23792	1.2
620.28345	6.9
652.87744	0.7
662.29694	8.8
680.30457	4.3
722.31671	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	842.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.5
72.04514	4.5
79.05515	0.8
85.02911	0.8
91.05462	5.9
92.17882	1.4
93.07046	1.0
95.04955	0.8
105.07018	4.8
107.04938	0.8
107.08600	0.9
109.06499	1.0
110.69265	0.5
114.18082	0.7
117.07014	0.9
119.04938	16.8
119.08553	1.3
121.06509	2.6
123.08070	0.7
129.07036	2.2
131.08582	1.4
133.06467	3.7
134.09654	100.0
135.04379	0.6
135.08055	2.5
143.07515	0.6
143.08568	3.5
145.06519	1.0
145.10123	1.3
147.04413	27.5
147.08058	2.3
149.05998	2.7
149.09581	2.7
151.07458	0.6
155.08539	0.9
157.10123	2.2
158.07162	0.6
159.08043	1.3
161.05978	1.2
167.08589	0.7
169.10143	0.8
171.08022	0.9
173.09615	2.4
175.07535	0.7
175.11179	1.1
177.09142	1.0
179.08507	1.1
180.09378	0.7
181.10146	2.5
183.08031	0.9
183.11707	1.1
185.09631	1.4
187.11128	0.9
189.05463	2.8
192.10229	1.3
193.10155	2.8
195.11728	3.0
197.09647	1.2
197.87627	0.5
199.11223	1.2
201.09221	0.8
203.08658	0.8
203.10567	0.8
204.09450	0.7
205.10172	0.9
206.10947	0.8
207.11708	2.2
208.12463	0.7
209.09514	1.2
209.13326	1.0
211.11195	2.6
213.09015	0.6
216.09258	0.6
219.11905	0.9
220.12447	1.2
221.09703	1.0
221.13269	2.2
222.10356	0.7
223.11211	3.3
223.14900	0.8
225.09000	0.6
225.12752	1.0
225.16373	0.6
227.10670	1.0
233.09595	2.1
233.13289	2.5
234.10698	0.6
235.11194	0.7
235.14885	1.1
236.12091	1.1
237.12787	2.7
239.14282	1.2
241.12312	0.7
245.13371	0.7
248.11937	1.4
250.10707	0.6
251.10648	1.1
251.14215	2.0
252.09656	1.0
252.12288	28.3
253.12199	0.7
253.15926	0.7
261.12869	1.3
263.14346	2.7
267.13788	1.2
273.12732	0.7
279.13870	3.6
281.15433	2.6
291.13809	3.0
294.13321	5.0
297.14883	2.0
309.14731	5.7
312.75259	0.6
327.15967	2.7
369.17017	3.4
387.18109	0.6
411.18231	2.3
429.19168	2.9
591.24310	1.3
620.28674	8.0
627.77338	0.7
638.29669	0.8
662.29602	9.5
680.30432	2.8
722.31696	8.3
782.33813	0.8
842.36395	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	842.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	3.6
91.05457	15.5
92.17927	3.7
93.07011	2.5
94.62728	3.1
105.03402	21.2
105.07036	25.1
106.03753	4.3
107.08569	9.7
111.04476	2.6
119.04922	19.5
119.08544	5.8
121.06458	3.2
123.08103	3.2
133.06491	59.4
133.10062	3.9
135.08041	5.2
137.09613	3.7
143.08525	3.7
145.06508	4.9
145.10066	2.7
147.04390	80.4
147.05431	4.6
147.08011	5.7
149.09608	4.1
155.08569	3.3
157.10077	7.0
159.08092	4.0
161.09575	3.4
171.11687	5.9
173.09630	3.7
181.10066	4.7
183.11700	5.0
189.05441	100.0
192.09296	3.1
195.11690	3.6
197.13258	6.4
199.11082	4.9
211.11168	11.5
213.12727	5.1
219.11714	3.2
225.12817	3.5
237.12668	4.2
249.16402	15.8
253.35004	3.3
262.13550	6.8
267.17297	11.7
277.15829	22.1
295.13788	4.6
295.16925	44.7
313.17874	38.2
337.17963	6.7
355.18918	58.7
373.20300	3.8
397.19882	5.9
415.21130	3.6
543.23700	11.0
561.24988	24.2
603.26117	21.1
723.34186	2.9
824.16156	4.1
842.29242	27.8
842.47540	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	842.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84282	0.9
81.07085	1.3
85.02869	0.9
87.09233	1.7
91.05482	6.2
95.04932	0.9
105.07056	6.2
107.08601	1.2
109.06488	1.1
109.10156	1.5
119.04939	26.2
119.08550	2.2
120.77489	0.8
121.06534	1.6
121.10120	1.9
124.09158	0.9
131.08589	1.7
133.06487	9.8
133.10147	1.4
135.08092	1.7
137.09604	3.8
143.08580	1.6
145.06509	1.0
145.10121	1.6
147.04407	100.0
147.08076	1.7
149.09644	3.4
150.50092	0.9
157.10126	2.1
159.08070	1.8
159.11690	1.7
161.09567	1.7
169.10088	2.1
171.11621	3.3
173.09593	1.2
175.11177	2.1
177.08981	1.3
183.11784	1.6
187.11237	1.2
189.05466	44.4
193.10141	1.4
194.11115	1.0
195.11676	4.0
197.09650	1.8
197.13255	2.3
199.11266	4.0
202.60980	1.0
203.10693	1.0
207.11684	4.1
211.11229	2.0
211.14824	0.9
213.12868	0.9
219.11653	1.6
225.09084	0.9
232.93080	0.9
237.12813	1.4
239.18042	1.4
249.16383	4.3
253.15880	1.5
262.13400	1.3
267.17429	6.6
277.15942	10.4
285.18530	1.4
295.16949	20.2
313.17993	16.6
337.18124	3.1
355.18967	23.9
373.20190	2.1
397.20108	2.0
415.21097	2.0
543.23834	5.8
561.24799	15.5
603.25818	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	842.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98577	2.1
95.04960	9.6
105.03393	100.0
105.07032	2.4
113.16413	2.2
143.11861	2.3
144.98286	2.0
151.07466	2.8
161.09590	2.9
173.09581	2.6
181.10197	2.3
197.09567	4.5
199.11134	5.2
211.11169	9.0
213.12735	2.6
225.12604	2.7
227.10538	4.7
253.12318	3.0
265.15848	2.6
293.15503	4.8
311.16348	2.4
313.14279	16.5
331.13416	2.8
373.16245	8.4
415.19247	2.8
443.04810	2.4
455.99478	2.7
567.56830	2.6
597.23969	3.2
734.91876	3.1
842.37427	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19231	0.9
59.84386	0.8
63.78563	0.8
79.05479	2.2
83.08593	1.0
107.04959	67.0
107.33278	1.0
117.29697	0.8
118.83398	1.0
134.09666	1.1
149.05974	17.8
165.07129	1.0
178.39621	0.9
181.10139	1.3
183.11687	1.1
194.11769	100.0
195.11676	1.2
199.11145	1.1
204.07675	0.9
207.11656	1.9
211.11192	7.7
225.12781	2.2
227.10681	6.7
235.11296	1.9
253.12262	8.4
313.14465	1.2
355.14932	1.0
585.98358	1.2
685.11749	1.2
823.10663	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	842.432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60333	1.1
59.04978	1.6
61.56271	1.1
71.08629	2.4
72.66805	1.2
80.85085	1.2
83.58370	1.3
91.05472	100.0
101.02480	1.2
103.05482	2.4
119.04935	31.1
133.08879	1.4
134.09642	96.5
147.04404	15.6
148.11206	1.9
165.05457	1.5
165.06940	2.4
167.08514	10.9
169.10091	6.3
179.08510	10.7
180.09358	5.7
181.10089	8.2
191.08536	2.5
192.09351	3.1
193.10175	10.4
194.10883	11.7
195.08076	1.5
195.11800	9.7
197.09637	1.9
203.08455	1.7
204.09357	16.0
206.10873	11.6
207.08058	1.6
207.11633	6.6
208.09676	2.8
208.12425	1.6
209.13248	24.8
210.11232	94.4
211.11147	5.7
211.14767	2.2
218.10916	1.5
219.11664	20.8
221.09575	1.4
221.13251	22.6
222.10379	8.5
223.28183	1.3
225.12775	2.4
235.11150	2.1
237.12697	40.2
239.14244	5.8
244.12390	1.8
249.16467	1.8
252.12273	7.9
255.13756	2.5
262.13486	1.7
277.15817	2.8
279.13718	5.1
281.15366	1.3
295.16885	2.8
297.15024	10.8
335.20264	1.5
488.24524	10.1
506.25284	2.0
548.26361	49.6
604.32825	11.2
608.28369	7.3
649.22083	1.4
664.34698	61.7
722.37549	1.5
751.75104	1.5
771.30035	1.5
782.40717	1.3
842.43164	2.4
867.32300	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	843.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74433	0.8
66.49783	0.7
67.97426	0.8
69.03422	7.1
74.69648	1.0
78.03425	3.4
81.03422	15.8
84.33435	0.7
85.02899	5.6
92.18580	0.9
94.37808	0.8
95.04984	1.1
97.02871	5.3
97.03445	0.8
99.04441	3.8
106.02914	58.6
109.02877	22.1
123.04421	11.4
124.03941	94.7
127.03896	11.5
132.04427	10.8
156.45712	1.1
160.47244	0.9
179.86763	0.9
196.06029	1.0
250.07077	30.3
268.08136	49.3
286.09061	1.3
417.12885	100.0
467.90909	0.9
638.49451	1.0
752.95947	0.9
758.83661	0.9
807.35321	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	843.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24955	0.3
83.04997	0.4
91.05479	0.4
103.41103	0.3
105.03388	5.5
105.07004	0.6
120.38661	0.3
143.08485	0.3
153.01854	0.4
161.09660	0.3
167.08525	0.5
179.08490	0.3
181.10162	1.4
185.09607	0.4
195.08054	0.3
195.11682	1.1
197.09512	0.3
199.11235	0.4
204.09317	0.6
207.11678	0.4
209.13258	1.0
211.11176	0.6
219.11630	1.3
222.10458	2.0
227.10738	0.6
227.14345	0.3
235.14801	0.3
237.12712	6.4
255.13792	2.1
271.05997	100.0
295.16946	0.4
315.15900	14.5
405.91306	0.3
413.33301	0.3
579.43256	0.3
752.11768	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	844.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05789	2.6
62.06094	75.6
67.05498	2.0
79.05485	10.7
81.07074	2.3
83.04996	2.3
85.02876	1.9
85.35425	1.4
91.05473	100.0
93.07030	3.7
95.04948	6.3
95.08594	6.1
97.06518	3.2
105.07030	9.4
107.04942	3.0
107.08591	6.7
111.04475	1.8
117.07026	2.9
119.04929	27.5
119.08582	14.6
121.06514	6.5
121.10132	3.6
126.59750	1.4
129.06998	8.1
131.08560	7.6
133.06467	1.8
133.10141	9.8
134.09659	22.8
135.08063	7.6
137.09621	1.8
142.07726	1.5
143.08542	9.5
145.06508	2.3
145.10144	3.6
147.04408	7.1
147.08067	12.1
149.09627	9.4
150.09160	8.1
155.08522	2.8
157.10158	7.2
159.08052	6.8
159.11693	8.0
161.09628	7.1
163.07556	7.9
164.10721	22.3
165.09082	1.8
167.08620	2.5
169.10081	3.2
171.08028	2.8
171.11722	12.3
173.09608	6.7
175.07578	2.7
175.11115	1.9
181.10098	8.0
183.11713	8.0
185.09491	1.7
185.13219	2.8
187.11168	7.8
189.09007	1.8
193.10121	5.8
195.11734	6.8
197.09590	3.3
197.13272	3.4
199.11179	9.6
203.10609	1.7
205.10315	1.6
205.12212	3.1
206.11011	1.7
207.11749	12.0
208.09700	33.8
209.13182	6.8
211.11208	3.5
211.14877	2.8
213.12788	3.5
217.12251	2.7
219.11659	6.2
220.12456	6.2
223.11134	2.4
223.14793	2.9
225.12679	6.8
226.10733	54.4
234.14014	9.0
235.11046	1.9
235.14821	3.1
237.12674	3.0
239.17986	2.8
244.12473	2.4
247.11133	1.8
249.16414	14.1
251.14183	1.7
253.15959	2.6
259.14853	3.7
262.13522	8.0
267.17447	13.2
268.11722	2.9
277.15863	23.1
293.15848	1.5
295.16965	26.5
313.17987	18.0
337.17981	8.5
355.19037	29.3
373.20398	2.1
397.20239	14.7
415.21249	8.7
457.22321	5.7
501.22626	1.9
562.27979	7.9
622.30060	62.2
682.32123	49.1
742.34204	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	844.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23736	1.8
60.03088	1.5
60.50027	1.4
62.05789	3.0
62.06094	85.9
62.93956	1.5
69.03426	3.0
69.07034	2.9
76.99199	1.7
79.05489	9.1
83.04964	2.7
91.04906	3.2
91.05477	100.0
93.07024	3.2
95.04980	4.1
95.08618	2.5
97.06507	2.2
105.07050	15.3
107.04961	3.0
107.08599	3.4
107.53645	1.6
111.04435	2.9
115.66051	1.8
117.06967	3.5
119.04933	21.7
119.08568	16.3
120.66061	1.6
121.06477	3.2
121.10119	8.3
122.46987	1.9
123.08076	4.1
129.07010	3.1
131.08537	7.5
133.06508	2.4
133.10103	11.8
134.09637	19.5
135.08034	8.7
137.09642	3.5
143.08531	7.6
145.06508	2.2
145.10112	2.6
147.04381	8.3
147.08054	8.4
147.11685	1.8
149.09622	9.5
151.11122	2.5
155.08556	2.4
156.09468	2.1
157.10138	4.1
159.08044	9.1
159.11667	8.9
161.09583	2.5
163.07521	12.0
164.10701	27.1
165.09140	2.3
169.10077	7.2
170.10799	1.9
171.08101	2.5
171.11627	12.7
173.09616	6.8
175.07565	2.8
175.11179	2.9
177.09113	3.5
181.10054	2.1
183.11694	6.8
185.09587	2.2
185.13268	3.8
187.11200	9.1
193.10097	7.1
194.10785	2.7
195.11652	10.5
196.87411	1.8
197.09521	3.3
197.13322	3.7
199.11215	11.0
201.12737	3.1
205.12245	3.0
207.11723	9.6
208.09706	33.9
208.12505	1.9
209.13332	4.3
211.11194	7.8
213.12819	2.7
217.12241	2.2
219.11740	8.2
220.12431	2.5
221.09602	1.7
223.11113	3.4
223.14946	2.7
224.12126	1.7
225.12833	3.5
226.10699	55.2
227.72418	1.9
229.10124	2.2
234.14055	7.8
237.12598	3.7
239.17973	2.9
244.12564	3.6
247.11118	5.5
249.16402	8.9
251.14291	7.8
253.15903	2.4
259.14731	2.4
262.13531	10.4
267.17416	13.2
277.15826	21.0
285.18503	2.6
295.16910	35.6
313.17953	21.1
337.18027	7.9
355.18982	24.0
373.20245	3.1
397.19843	11.3
415.21185	10.2
457.22379	3.1
562.27753	9.3
622.30115	59.0
682.32031	53.2
742.33905	4.1
784.35669	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	844.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92685	0.7
60.16374	0.7
72.04520	1.4
79.05513	1.1
82.89154	0.8
83.04946	1.2
88.07623	0.9
91.05476	41.1
93.07029	1.9
95.04951	1.1
105.07026	5.0
106.89654	0.8
107.04932	0.9
107.08532	0.8
114.53395	0.8
117.07050	1.1
119.04929	16.5
119.08568	5.0
121.06496	3.5
121.10131	2.0
128.15440	0.9
129.07025	1.3
131.08585	0.9
133.06464	3.1
133.10124	1.0
134.09653	100.0
135.08047	1.1
143.08525	1.5
145.06453	1.3
145.10120	1.7
147.04388	16.9
147.08054	3.4
148.11197	0.9
150.09125	9.9
155.08585	0.9
157.10098	1.4
159.08070	1.4
159.11740	1.2
161.09621	1.9
163.07550	0.9
169.10121	1.4
171.11661	1.8
175.07428	0.8
181.10126	3.2
183.11713	1.4
185.09576	1.6
187.11275	1.2
189.08963	1.0
193.10161	1.7
195.11636	3.7
206.67178	0.8
207.11642	1.9
209.09575	0.9
210.11247	44.0
212.77809	1.0
213.08949	0.9
217.10181	1.3
219.11708	0.9
221.13268	1.2
223.11168	1.4
223.14709	1.1
232.12532	1.7
235.11118	1.0
237.12669	1.0
237.16383	1.3
247.14819	3.1
250.13596	1.1
251.14293	1.0
252.12271	12.7
265.15909	4.5
275.14322	4.4
283.16864	1.0
293.15451	6.6
311.16409	5.1
332.81531	0.9
353.17502	3.8
371.18423	0.9
413.19427	1.1
473.21237	1.0
507.92499	0.9
539.65985	1.0
682.32196	7.7
724.32611	1.5
742.34418	5.8
784.34668	4.0
844.37567	31.6
856.35883	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	844.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47814	1.2
82.51318	1.1
83.05000	1.3
86.37588	1.1
91.05463	19.5
95.04919	1.1
97.06525	1.5
105.07031	2.1
113.67712	1.2
119.04917	8.3
119.08575	1.7
134.09650	100.0
135.08047	2.2
147.04401	4.2
147.08017	1.8
149.09660	1.3
159.11684	1.5
163.07510	2.2
164.10683	5.4
166.38489	1.1
181.10103	1.6
195.11755	1.5
199.11249	1.5
199.56584	1.0
205.12241	5.6
207.10118	1.1
209.09673	1.7
209.13350	1.2
210.11263	14.8
211.11166	1.7
223.11189	2.0
227.10526	1.4
237.16417	1.6
247.14803	1.3
252.12270	6.0
261.23724	1.5
265.15833	4.0
275.14514	1.2
293.15399	5.6
311.16556	5.5
353.17456	4.5
412.38831	1.2
413.19299	1.8
421.73334	1.2
562.27948	2.5
622.30219	2.4
644.55554	1.3
682.31714	5.0
724.33142	1.7
742.33630	1.9
784.35168	10.4
844.36395	1.1
850.64325	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	844.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04526	6.0
77.95081	0.5
79.05507	0.7
88.92854	0.6
91.05477	13.4
91.06020	0.6
95.04987	0.8
102.36794	0.5
105.07012	1.4
107.08585	0.7
108.73017	0.6
109.06516	0.7
119.04929	6.2
119.08560	1.4
121.06554	0.7
131.08603	0.6
133.06493	0.7
134.09647	100.0
135.08049	0.7
143.08557	0.9
145.10152	1.2
147.04428	1.0
155.08563	1.2
157.10133	0.7
159.08154	0.7
164.10689	7.5
165.12172	0.6
169.10107	0.9
171.08118	0.6
173.09631	2.1
179.08562	1.3
185.09598	0.9
187.11154	0.7
192.10172	2.7
193.10211	1.1
195.11705	2.1
205.10120	0.7
207.11740	1.1
209.09613	0.7
209.13248	1.0
210.11246	17.3
217.10092	2.2
218.11078	0.8
219.11696	0.9
220.12556	0.9
223.11168	2.1
233.13460	0.7
235.11249	1.1
235.14722	0.8
237.12708	0.8
245.13237	1.1
247.15004	0.8
249.12727	0.6
251.14374	0.8
252.12259	4.1
253.12328	0.7
260.12079	0.7
263.14319	3.3
265.15808	1.0
275.14420	2.8
281.15289	0.7
283.16858	0.9
293.15445	3.4
311.16595	1.0
335.16452	1.3
353.17596	3.4
374.37042	0.7
413.19705	3.1
424.04123	0.6
544.26910	1.1
604.29211	3.8
622.29956	6.9
634.30182	1.4
636.08478	0.6
664.31165	10.8
724.33392	7.2
780.94867	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	844.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32053	0.6
60.14923	0.5
63.88031	0.5
65.03954	0.6
65.20361	0.5
72.04491	0.8
74.62114	0.5
78.15289	0.5
79.05483	0.7
81.07066	0.8
83.04976	0.8
88.07623	1.1
91.05474	40.8
93.07025	1.4
95.04940	2.0
95.08649	0.7
103.05441	0.8
105.07034	4.1
107.04948	1.0
107.08614	1.2
109.06523	1.3
117.06966	0.7
119.04932	16.1
119.08559	4.3
121.06504	3.2
121.10114	3.1
123.08032	1.1
127.92239	0.5
128.06247	0.9
129.07030	0.6
131.08575	1.1
133.06480	1.2
133.10107	1.0
134.09645	100.0
143.08548	2.4
145.06474	1.0
145.10104	2.7
147.04387	14.0
147.08040	3.6
148.11195	1.3
149.06042	0.9
149.09665	1.2
150.09131	3.5
151.07547	1.1
155.08516	1.5
157.06509	0.8
157.10095	2.8
159.08034	3.0
159.11658	1.0
161.09618	1.2
163.07495	0.8
164.10765	0.8
167.08545	0.8
169.10146	2.7
171.08131	1.2
171.11658	1.2
173.09628	1.3
175.07489	0.7
179.08493	0.7
181.10132	2.3
183.11688	1.3
185.09618	1.4
187.11157	1.2
189.05374	1.0
189.09146	0.8
192.10168	1.0
193.10201	1.0
195.11742	2.5
197.09595	2.2
199.11203	2.3
206.10899	0.9
207.11717	1.3
208.12521	0.7
209.09653	1.4
209.13237	2.3
210.11241	45.1
215.10649	0.8
217.10083	0.9
219.11639	0.8
223.11154	1.3
223.14864	0.9
225.12660	0.9
225.25375	0.6
232.12456	2.6
235.11024	0.9
237.12762	1.3
237.16342	1.0
245.09546	1.0
247.14812	4.1
249.12924	0.7
250.13472	0.7
251.14314	0.9
252.12259	16.6
252.14781	0.9
260.12000	0.9
265.15887	3.1
275.14288	1.2
283.16910	2.3
293.15344	5.7
311.16324	5.8
329.17300	0.7
346.82031	0.6
353.17355	4.7
365.56775	0.6
371.18710	0.9
413.19766	0.7
456.98123	0.6
682.32208	8.9
701.31024	0.6
724.33600	1.2
742.34137	5.6
784.34662	2.9
844.37402	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47814	1.2
82.51318	1.1
83.05000	1.3
86.37588	1.1
91.05463	19.5
95.04919	1.1
97.06525	1.5
105.07031	2.1
113.67712	1.2
119.04917	8.3
119.08575	1.7
134.09650	100.0
135.08047	2.2
147.04401	4.2
147.08017	1.8
149.09660	1.3
159.11684	1.5
163.07510	2.2
164.10683	5.4
166.38489	1.1
181.10103	1.6
195.11755	1.5
199.11249	1.5
199.56584	1.0
205.12241	5.6
207.10118	1.1
209.09673	1.7
209.13350	1.2
210.11263	14.8
211.11166	1.7
223.11189	2.0
227.10526	1.4
237.16417	1.6
247.14803	1.3
252.12270	6.0
261.23724	1.5
265.15833	4.0
275.14514	1.2
293.15399	5.6
311.16556	5.5
353.17456	4.5
412.38831	1.2
413.19299	1.8
421.73334	1.2
562.27948	2.5
622.30219	2.4
644.55554	1.3
682.31714	5.0
724.33142	1.7
742.33630	1.9
784.35168	10.4
844.36395	1.1
850.64325	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	844.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97229	0.3
69.03407	0.3
70.65136	0.3
72.04520	5.7
73.91692	0.3
79.05471	0.7
81.07049	0.6
91.05476	15.2
91.96801	0.4
93.07055	0.5
95.04961	0.8
105.07022	2.4
107.08591	0.5
117.06995	0.5
119.04950	3.7
119.08589	0.7
121.06458	0.6
129.07001	0.6
131.08575	0.7
133.06436	0.6
134.09651	100.0
135.08052	1.6
141.07033	0.4
143.08591	0.8
145.10204	0.6
147.04459	0.8
147.07990	0.5
148.11191	0.4
149.09709	0.5
155.08606	0.6
157.10178	1.3
159.08107	0.5
161.09627	0.4
162.09158	0.5
164.10690	8.1
167.08574	0.5
169.10094	1.5
173.09618	1.8
179.08549	1.5
181.10141	2.1
183.11731	0.6
185.09596	1.8
185.13081	0.5
187.11232	0.6
192.10167	2.0
193.10158	1.9
194.10915	0.7
195.08087	0.4
195.11646	2.0
197.09674	0.9
199.11148	0.9
203.08505	0.4
205.10112	0.7
206.11142	0.4
207.11708	2.4
209.09645	0.7
209.13371	0.5
210.11258	18.6
211.11044	1.2
217.10121	1.9
218.10875	0.5
219.11719	0.9
220.12447	0.8
221.13232	0.8
223.11223	2.5
230.10866	1.5
231.11694	0.6
232.12494	1.4
233.13286	0.6
234.10594	0.6
235.11194	2.2
235.14807	1.4
236.11888	0.6
237.12683	1.6
237.16402	0.5
245.13400	0.8
247.11163	0.5
247.14841	2.5
248.11823	0.8
249.12859	0.7
251.14348	0.9
252.12300	4.7
253.15793	0.5
260.11929	0.7
263.11722	0.6
263.14270	3.4
265.15863	2.5
275.14371	2.2
281.15369	0.8
293.15320	4.3
311.16394	2.0
323.16357	0.6
335.16437	0.9
353.17603	2.5
371.18481	0.4
395.18765	0.4
413.19669	2.1
455.20892	0.5
473.21603	0.6
544.27069	0.7
554.33374	0.4
559.65851	0.4
604.29413	2.9
622.30133	7.1
634.30170	0.9
664.31244	9.3
682.32471	0.6
724.33173	7.2
777.08295	0.4
784.34576	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	844.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63097	1.6
62.05788	3.2
62.06096	81.6
67.05492	1.9
78.97910	2.1
79.05489	12.3
81.07063	3.6
85.02885	2.4
86.10601	1.8
91.05482	100.0
92.17949	4.4
93.07061	4.5
95.04971	8.3
95.08585	2.7
97.06512	2.2
103.05386	2.0
105.07027	11.4
107.04929	2.5
107.08561	4.0
109.10160	1.9
117.07021	3.9
119.04949	23.8
119.08584	9.5
121.06486	9.5
121.10119	3.1
123.08067	6.9
129.07001	2.8
131.08562	3.4
133.06470	3.0
133.10103	15.4
134.09659	14.7
135.04433	3.5
135.08051	11.1
137.09618	3.2
142.15750	2.3
143.08574	9.7
145.06427	3.4
145.10133	3.3
147.04422	9.6
147.08022	13.3
149.09627	3.7
155.08539	4.6
156.09256	2.6
157.10130	9.6
159.07986	10.5
161.09662	3.5
163.07513	8.9
164.10703	30.5
169.10147	4.0
171.08025	3.3
171.11662	14.2
173.09624	8.2
175.07545	2.8
175.11174	2.4
181.10071	7.8
183.11707	4.6
185.09627	3.4
187.11166	10.9
193.10091	7.7
195.11685	4.6
197.09547	4.7
197.13332	6.5
199.11150	12.4
206.10962	2.0
207.11729	11.3
208.09705	40.6
211.11188	8.9
217.12175	2.8
219.11710	3.8
220.12422	2.8
221.13292	4.8
223.11186	2.5
225.12695	2.7
225.16278	2.9
226.10750	64.8
233.13214	3.6
234.14027	4.6
244.12572	2.5
247.11095	3.0
249.16350	13.1
251.14153	2.6
259.14917	3.6
262.13614	8.4
267.17441	11.7
268.11685	3.5
277.15845	21.6
295.16974	34.8
313.18045	17.3
337.18008	9.0
355.19073	20.4
397.20135	10.5
413.78693	2.6
415.21213	9.1
451.84586	2.1
457.22073	7.8
541.55121	1.9
562.28101	13.7
622.30164	67.8
682.32202	66.3
742.33960	7.9
784.35638	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	844.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74622	0.6
67.05515	0.5
69.03408	0.5
72.04504	1.3
72.50565	0.5
79.05497	0.9
81.07056	0.8
83.04965	0.9
88.07599	0.6
89.46714	0.7
91.05482	18.6
93.06958	0.7
95.04955	1.3
103.05449	0.8
105.07002	1.3
107.04965	1.2
107.08573	1.3
109.02833	0.6
109.06501	0.8
110.83739	0.6
119.01570	0.6
119.04930	8.6
119.08544	1.1
121.06503	0.9
123.08043	0.9
131.08575	2.4
133.06490	0.8
133.10114	1.0
134.09653	100.0
135.08067	3.2
142.58136	0.5
143.08557	1.1
145.06458	2.8
145.10071	0.8
147.04424	6.1
147.08011	3.1
149.09592	1.2
151.07526	0.7
157.10089	1.2
159.07979	1.9
159.11696	1.2
161.09673	0.6
163.07555	1.3
164.10669	4.0
169.10107	1.1
171.11591	0.9
173.09680	0.7
175.07611	1.2
175.11148	0.8
181.10104	2.5
185.13239	0.7
187.11137	1.1
189.12718	0.9
193.10124	1.0
195.11685	2.9
197.09671	1.1
199.11267	1.1
203.10629	0.6
205.10289	1.1
205.12206	9.2
207.10152	2.3
207.11812	1.3
209.09601	1.1
210.11266	17.7
211.11169	1.2
213.12773	1.2
221.13193	0.7
223.11200	3.2
223.14801	0.7
232.12480	1.0
235.11290	1.0
237.12807	0.9
237.16318	1.1
241.12125	0.8
247.15062	0.7
251.14294	1.1
252.12267	5.3
265.15842	5.5
269.15314	0.8
275.14355	0.9
277.15900	0.8
279.95929	0.6
283.16873	3.1
293.15353	5.6
295.16931	0.7
311.16498	5.6
353.17435	3.6
355.18753	0.8
371.18436	2.2
413.19614	3.0
415.20917	0.9
473.20807	0.7
562.27966	4.6
622.30090	3.2
664.30579	1.1
682.32526	5.3
724.33008	2.3
742.33752	1.3
784.35730	8.8
802.31104	0.6
844.37866	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	3.6
74.16404	3.1
79.10231	2.9
82.97717	3.5
85.02869	3.8
91.05474	4.4
92.17879	4.3
93.07059	6.2
94.50761	3.2
99.74231	3.4
104.62450	3.0
109.06444	4.0
119.08499	4.2
166.73378	3.3
170.73280	3.3
194.32359	3.6
243.08345	3.9
301.08820	3.6
375.84015	3.4
472.20245	3.6
527.66479	3.5
535.28314	6.4
845.49982	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	845.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94401	0.8
67.05482	0.9
81.78031	0.9
100.55103	0.8
118.38885	0.8
291.19299	14.9
309.20389	14.1
486.62445	0.9
559.39990	5.8
577.40576	4.7
829.76306	0.9
845.61029	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	846.332
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29371	2.9
79.05563	3.4
87.04443	14.7
91.05495	37.3
93.07033	4.5
95.04993	10.4
100.03980	28.8
105.03387	76.7
105.07062	5.2
106.06572	4.9
109.06470	3.7
115.03923	100.0
118.06469	3.3
119.04937	18.4
119.08524	4.7
121.06513	6.6
121.10111	3.9
121.98184	3.2
131.08568	4.2
133.10130	5.3
136.07574	5.7
143.08571	5.5
149.05977	5.1
159.08020	13.9
159.96048	3.8
161.09604	13.4
195.11716	4.6
207.11731	3.6
211.11020	3.5
218.08133	14.8
221.13161	4.3
223.11151	3.4
234.94231	3.5
235.00157	3.3
235.14796	4.5
237.12766	12.8
237.18913	3.2
245.13242	4.7
247.11327	3.5
248.12050	5.4
250.10655	26.3
263.14304	6.5
264.08588	4.3
265.12177	4.1
278.10336	3.6
281.15262	4.0
291.13858	7.8
294.51291	4.0
296.11374	23.5
299.16626	3.3
309.14835	20.7
327.16000	12.4
369.17068	5.8
387.17917	5.5
491.21078	4.6
540.05969	3.2
551.22577	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	846.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35254	5.0
83.04977	97.4
91.05447	10.6
92.18524	10.0
93.07060	7.4
95.04962	12.2
95.08584	6.0
97.06499	5.0
105.03394	100.0
105.04523	5.6
105.07014	19.0
107.04951	33.2
114.09148	69.1
119.04907	5.5
120.08120	8.5
120.28381	5.2
120.66418	4.6
121.10052	4.5
133.06499	10.2
145.10152	7.3
147.08099	8.0
149.05943	8.3
149.09647	8.8
151.07550	5.2
159.08089	6.8
194.11784	11.0
195.11684	7.9
197.13261	5.4
211.11160	5.4
225.08777	4.7
229.64510	5.2
232.13300	7.1
237.12680	6.2
248.11931	5.7
260.12839	9.0
263.14236	5.1
278.13803	70.8
309.14929	7.3
327.15863	5.8
421.16452	6.3
438.15579	5.3
443.55331	5.6
508.96933	5.7
509.21451	30.2
519.27191	5.3
787.65546	6.1
830.21533	5.7
846.46680	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	846.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.7
79.05476	3.6
81.03409	3.0
83.04492	3.7
83.04984	97.9
91.05461	8.9
93.07053	4.1
95.04956	16.4
95.08647	2.5
105.03391	81.5
105.04494	3.5
105.07018	21.4
107.04954	7.3
107.08581	3.3
109.06490	2.4
114.09174	21.4
117.64987	1.9
119.08569	8.3
120.08105	33.1
121.06490	8.5
121.10131	3.9
123.08059	3.7
127.22806	1.9
131.08629	3.0
132.08073	2.9
133.06468	10.4
133.10118	3.7
143.08517	3.1
145.06393	2.1
145.10092	2.4
147.08006	3.3
149.06021	7.1
149.09558	4.4
155.08549	2.7
158.07280	2.2
159.08035	6.8
161.05891	2.3
161.09578	3.8
165.06973	2.0
167.07156	2.5
167.08557	2.0
169.10109	7.3
171.11703	2.7
177.09093	3.0
180.10262	3.1
181.10089	3.4
183.11716	3.4
185.09560	2.5
187.11169	1.8
193.10114	3.2
194.10971	3.5
195.11674	4.3
196.09724	3.5
196.80307	1.7
197.09409	2.0
197.13202	2.4
202.20340	1.8
206.10931	4.4
209.09625	2.9
209.13216	4.1
211.11227	3.2
211.14868	2.3
220.12457	3.4
221.13283	7.8
222.10420	3.0
223.11240	2.9
225.09077	2.7
225.12772	2.1
235.14824	2.9
237.12752	6.9
239.14334	7.0
247.09555	2.2
249.12785	2.4
251.14207	2.1
253.15843	2.0
255.13959	2.3
260.45963	2.0
263.14276	9.5
265.85922	2.0
278.10788	3.3
278.13849	100.0
281.15262	7.7
291.13687	3.5
309.14850	10.0
327.15909	9.7
345.17093	2.2
387.18060	3.4
477.00308	2.0
509.21765	33.2
569.23743	2.7
846.34174	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	846.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.7
79.05476	3.6
81.03409	3.0
83.04492	3.7
83.04984	97.9
91.05461	8.9
93.07053	4.1
95.04956	16.4
95.08647	2.5
105.03391	81.5
105.04494	3.5
105.07018	21.4
107.04954	7.3
107.08581	3.3
109.06490	2.4
114.09174	21.4
117.64987	1.9
119.08569	8.3
120.08105	33.1
121.06490	8.5
121.10131	3.9
123.08059	3.7
127.22806	1.9
131.08629	3.0
132.08073	2.9
133.06468	10.4
133.10118	3.7
143.08517	3.1
145.06393	2.1
145.10092	2.4
147.08006	3.3
149.06021	7.1
149.09558	4.4
155.08549	2.7
158.07280	2.2
159.08035	6.8
161.05891	2.3
161.09578	3.8
165.06973	2.0
167.07156	2.5
167.08557	2.0
169.10109	7.3
171.11703	2.7
177.09093	3.0
180.10262	3.1
181.10089	3.4
183.11716	3.4
185.09560	2.5
187.11169	1.8
193.10114	3.2
194.10971	3.5
195.11674	4.3
196.09724	3.5
196.80307	1.7
197.09409	2.0
197.13202	2.4
202.20340	1.8
206.10931	4.4
209.09625	2.9
209.13216	4.1
211.11227	3.2
211.14868	2.3
220.12457	3.4
221.13283	7.8
222.10420	3.0
223.11240	2.9
225.09077	2.7
225.12772	2.1
235.14824	2.9
237.12752	6.9
239.14334	7.0
247.09555	2.2
249.12785	2.4
251.14207	2.1
253.15843	2.0
255.13959	2.3
260.45963	2.0
263.14276	9.5
265.85922	2.0
278.10788	3.3
278.13849	100.0
281.15262	7.7
291.13687	3.5
309.14850	10.0
327.15909	9.7
345.17093	2.2
387.18060	3.4
477.00308	2.0
509.21765	33.2
569.23743	2.7
846.34174	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	846.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	6.1
83.04975	1.9
85.02885	1.4
87.68692	0.8
88.84869	0.8
91.05459	3.5
107.08611	11.1
111.04434	3.7
119.08572	100.0
129.05467	3.7
133.06493	1.3
135.08049	38.0
281.13861	1.7
415.21143	34.5
432.23914	1.1
580.33167	1.1
704.31104	1.1
766.46472	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	847.314
Annotation	Unknow
Peak:m/z	Relative Intensity
79.96722	6.0
80.24581	8.5
82.55531	5.5
89.50287	6.6
92.17916	8.1
105.03397	11.1
105.07007	8.7
117.53759	6.8
119.04913	8.4
133.06474	37.2
147.04460	52.9
147.08131	6.6
158.51794	6.5
189.05423	60.1
199.11224	8.6
207.11618	10.1
217.10208	6.3
229.04749	94.3
234.13933	7.1
244.12410	12.1
249.16306	8.8
269.77609	7.1
271.05762	13.3
277.15933	28.3
419.18243	11.4
461.19223	34.0
479.20624	8.2
521.21100	13.6
625.23743	61.6
667.24878	14.5
685.26044	66.3
727.27161	100.0
745.28113	10.0
787.29846	44.5
847.31134	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09036	3.3
68.26068	4.2
81.33559	3.7
91.05453	6.7
98.47427	3.4
105.07029	14.6
119.04923	26.2
119.08515	4.2
129.06995	5.8
143.08536	3.8
145.10204	3.7
147.04407	96.8
171.11632	5.3
175.90585	3.1
184.17789	4.1
189.05479	27.6
195.11792	3.7
197.09610	4.6
200.40750	3.8
207.11668	13.6
209.09563	6.1
217.10124	4.7
219.11664	6.9
220.12451	4.1
221.09648	5.1
225.12704	5.6
229.04712	100.0
229.10112	6.3
235.11125	4.7
244.12425	14.0
247.11162	4.4
249.16377	4.8
259.14755	6.3
262.13611	7.3
271.05792	13.8
277.15845	23.6
295.16840	4.6
359.16357	4.1
401.17310	5.9
419.18167	20.5
461.19293	28.8
479.20230	8.1
487.74564	5.8
521.21521	66.0
539.21887	3.8
625.24011	46.7
667.25146	39.4
685.26190	82.8
727.26996	64.3
787.29620	42.6
847.31287	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38136	0.7
61.34488	0.7
81.03423	1.2
82.57665	0.7
91.05478	8.6
93.07031	1.3
95.04991	1.7
105.07040	3.4
109.06515	4.9
111.08089	0.9
113.06003	3.4
116.30656	0.8
117.06992	0.9
119.04947	32.9
123.04424	3.1
125.06023	1.4
133.06488	8.2
134.09657	73.7
135.04396	1.1
137.05991	3.5
139.07549	0.8
145.06540	3.7
146.09666	1.1
147.04413	57.1
147.08104	1.1
148.11261	2.9
156.28212	0.7
157.06483	1.3
159.08070	1.6
161.06020	1.4
163.07446	0.8
167.08496	1.0
169.10091	1.2
171.08083	1.1
173.06010	1.8
174.09129	0.9
175.07547	1.3
177.05475	1.5
179.08632	0.8
181.08681	1.0
181.10175	1.7
183.08098	1.3
183.11684	1.1
185.09689	3.2
187.07542	1.3
189.05461	11.5
191.07013	1.1
192.10199	3.3
193.10136	0.8
194.94456	0.7
195.08089	1.0
195.11569	2.4
197.09689	4.4
199.11171	1.4
201.09222	1.1
203.10707	1.0
204.09386	0.8
207.06535	1.3
208.08780	0.8
209.09613	1.8
211.11061	2.2
213.09167	1.9
213.12772	1.6
215.10822	1.6
221.09683	1.1
223.11211	4.1
225.09131	4.0
227.10751	1.5
237.09036	0.9
237.12726	1.2
239.10739	3.4
241.12399	1.2
243.10158	1.1
244.12090	0.8
251.10809	3.3
252.12314	11.0
253.12250	2.9
255.10153	1.4
257.11768	1.1
265.12222	3.2
269.11673	2.8
273.11188	1.5
281.11758	3.0
283.13385	1.5
287.12723	0.9
293.11856	1.7
311.12753	2.8
321.11292	1.1
329.13837	1.9
339.12488	1.3
344.36536	0.8
353.28452	0.8
357.13373	1.9
375.14264	0.9
652.67578	0.9
677.71820	0.9
788.30750	1.7
848.33301	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	848.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12031	0.9
68.33440	1.0
69.39053	1.0
77.03954	1.3
79.05499	7.0
81.07094	1.1
95.04990	8.3
103.05505	1.0
105.03396	62.6
105.04497	2.9
105.07032	12.1
107.04955	77.1
109.06531	5.2
113.05991	2.4
118.40358	1.1
120.08113	18.9
120.19816	1.0
123.04375	1.2
125.05934	1.5
129.06975	1.5
131.04951	7.0
134.09677	1.6
139.07581	1.9
141.07016	1.5
141.18007	1.1
145.06520	2.4
149.05988	14.0
159.08035	1.6
159.73587	1.0
161.05969	0.9
166.07770	1.2
166.47484	1.0
180.10191	50.0
180.11674	2.2
181.08691	1.4
181.10168	1.6
183.08020	2.3
193.10072	1.3
194.11772	4.7
195.08162	1.3
195.11630	1.4
205.10071	1.3
207.11752	1.5
209.13379	1.6
211.11284	2.2
218.26537	1.0
219.11685	1.7
221.09549	1.8
223.11229	2.4
237.12793	2.1
239.10675	1.3
241.12221	2.4
247.11209	1.3
253.12341	1.4
265.12222	1.4
279.13776	2.0
283.13202	4.7
284.12869	1.7
295.13174	3.9
307.13470	1.7
313.14465	2.1
325.14420	4.6
343.15573	1.4
445.18726	2.3
669.26782	1.3
741.48120	1.2
848.34784	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	848.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	8.4
91.05452	1.5
92.18530	2.0
95.04958	9.4
96.94199	0.9
97.51374	0.9
100.59776	0.9
105.03391	62.2
105.04502	2.8
105.07026	17.4
107.04951	81.7
109.06542	5.9
115.33100	0.9
116.82171	0.9
120.08085	18.7
123.04420	1.4
125.06011	2.0
129.06993	1.6
131.04941	4.3
136.07632	1.2
137.05997	1.7
139.07533	2.0
143.08563	1.2
145.06439	4.3
147.08069	1.2
149.05960	18.0
155.08548	1.7
165.06963	1.0
169.10144	1.5
171.08069	1.5
180.10196	49.7
181.08678	1.5
181.10188	3.6
183.12064	1.1
187.07549	1.2
194.11855	3.5
195.11624	1.9
197.09575	1.3
199.11179	1.0
207.11685	2.2
209.09679	1.8
209.13240	1.2
211.07640	1.9
211.11282	1.6
221.09688	1.1
223.11131	2.4
235.11220	1.6
237.12817	5.4
241.12254	1.6
247.11176	1.3
249.12819	1.5
253.12161	1.7
265.12231	4.0
279.14093	1.1
283.13321	2.4
295.13290	4.1
307.13403	1.8
313.14426	4.1
322.59949	0.9
325.14365	5.6
343.15231	1.9
385.16513	1.4
421.23563	1.2
445.18936	1.4
455.03485	1.1
669.25165	1.2
729.57239	1.0
729.93866	1.1
848.34753	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	848.348
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48051	0.9
65.03935	0.9
77.03918	1.4
77.08989	0.9
79.05484	6.4
95.04978	7.2
95.79888	1.0
103.05491	1.5
105.02670	1.7
105.03394	51.2
105.04483	2.3
105.07035	10.6
107.04955	65.6
109.06525	6.3
117.06978	1.3
120.08092	13.7
123.04433	1.9
125.06023	2.3
129.07024	1.6
131.04942	6.5
131.08620	1.3
133.06508	1.1
134.09593	1.0
136.07603	1.7
141.06918	1.3
143.08603	1.3
145.06447	3.2
149.05966	13.3
155.08580	1.0
157.06503	2.0
159.08116	1.6
169.10197	1.3
171.07944	1.4
175.07439	1.1
180.10197	41.5
181.10143	1.4
183.08018	1.7
185.09698	1.3
187.88115	0.9
193.10109	1.3
194.11800	5.7
195.11728	3.7
205.10184	1.5
207.11681	2.2
209.09633	1.8
209.13458	1.1
219.11734	1.4
221.09732	1.1
223.11296	4.0
225.09280	1.1
225.12848	1.0
235.11232	1.5
237.12877	2.1
241.12228	1.7
251.14513	1.2
261.24353	1.0
265.12241	4.0
277.12436	1.3
278.12924	0.9
279.13885	1.4
283.13461	1.4
295.13391	2.2
307.13553	2.0
312.97723	0.8
313.14459	4.1
325.14264	7.4
343.15485	0.9
367.15430	1.7
385.16464	1.3
445.18771	1.3
720.62854	1.1
848.34802	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	848.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32254	0.6
62.12317	0.5
64.28576	0.4
66.13471	0.4
72.42886	0.5
75.06136	0.5
79.05489	3.6
95.04955	1.3
105.03386	18.3
107.04949	73.5
134.09695	0.6
141.06935	0.6
149.05972	16.1
155.08560	0.8
171.07964	0.7
180.98425	0.5
181.10120	2.4
183.11650	0.9
192.09317	1.2
193.10127	2.0
194.11755	100.0
195.11673	1.3
197.13158	1.0
199.11224	0.6
207.11717	2.6
209.09572	0.8
211.11189	1.0
220.09055	0.6
225.12775	1.0
227.10748	0.7
227.36340	0.6
235.11194	1.0
253.12192	3.0
269.11606	0.8
277.44299	0.6
331.13120	1.1
341.61041	0.5
342.93869	0.6
363.51157	0.7
412.33054	0.6
704.80646	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	848.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51975	0.5
70.89967	0.7
72.04537	0.7
80.73032	0.5
81.96603	0.6
91.05467	3.7
95.04942	2.7
102.33760	0.5
105.03391	100.0
107.04889	0.5
119.04940	5.2
119.08572	0.8
133.06500	0.7
133.10103	0.8
134.09645	26.2
143.08557	0.7
147.04378	7.0
148.11255	2.3
157.10126	0.8
164.10620	1.1
167.08554	0.6
179.08551	1.2
181.10052	0.8
193.10089	1.1
206.11116	0.7
208.12747	0.7
209.13286	3.0
210.11279	2.2
219.11736	0.6
220.12370	0.7
221.13176	1.2
237.12782	1.2
251.06966	0.9
252.12334	3.1
269.07968	0.9
314.10172	1.5
314.13837	45.6
315.27145	0.6
337.97421	0.7
346.65271	0.6
356.14877	5.5
456.39508	0.7
539.51794	0.7
548.26306	2.4
587.44696	0.7
610.28162	1.0
630.33252	0.6
670.29816	1.3
728.33923	0.8
848.37903	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	848.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26261	1.6
77.03924	2.9
79.05514	2.6
85.06544	11.2
91.05463	41.4
92.17837	4.1
93.07019	3.0
95.04940	11.1
95.08590	2.5
98.09692	1.9
98.93829	1.8
103.05440	2.4
105.02675	3.7
105.03390	100.0
105.04502	4.2
105.07030	18.5
107.08600	3.8
116.10725	82.5
119.04916	9.7
119.08556	10.2
120.08099	19.6
121.06485	7.7
121.10132	4.6
123.08056	4.0
131.08557	3.3
132.08084	22.0
133.06493	10.2
133.10133	10.5
133.85521	2.0
135.08084	4.2
137.06061	2.3
143.08549	3.1
145.06467	2.5
147.08041	4.4
149.05978	4.2
149.09622	4.5
150.09129	33.8
151.07541	3.1
157.10059	2.3
159.08070	3.9
161.09619	7.9
167.08505	2.9
169.09995	2.1
171.11539	2.0
173.09608	3.0
179.08513	2.7
181.10135	3.4
183.11632	7.1
185.09554	3.4
187.11162	2.3
193.10118	4.9
195.11670	4.4
196.09694	48.8
197.09576	4.2
197.13264	2.6
199.11223	3.7
206.10941	3.1
208.09026	2.6
209.13245	4.8
211.11177	7.9
213.12888	2.5
221.09697	3.0
221.13232	3.9
222.10333	3.6
223.11183	3.6
223.14650	1.9
225.12761	4.0
227.10611	2.9
234.14792	17.0
235.14925	7.1
237.12662	8.4
239.14209	4.3
248.11945	2.5
251.14082	2.1
253.15903	3.6
253.30580	1.9
262.14337	25.2
263.14346	7.9
269.11484	2.3
280.15381	55.0
281.15210	8.9
291.13708	3.5
299.16556	4.1
309.14746	14.5
327.15915	13.0
345.17197	2.6
369.16809	3.2
387.18027	4.3
475.91135	2.4
509.21570	32.6
568.74841	2.2
569.23669	8.1
854.33557	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	848.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.0
67.06052	2.4
71.08627	17.4
91.05479	54.6
93.07034	3.2
95.04951	13.2
99.08080	16.5
105.03402	100.0
105.07024	16.3
106.06532	3.0
107.08620	2.9
110.65441	2.6
116.10744	25.1
118.06543	14.0
119.04935	21.5
119.08562	5.0
121.06483	16.8
121.07281	2.7
121.10132	5.5
133.06480	14.9
133.10095	13.7
135.08061	3.9
136.07591	34.1
143.08574	3.8
145.10118	3.5
147.04387	4.3
147.08026	5.3
149.09624	4.7
159.07964	8.7
161.09641	11.4
165.05408	2.8
169.10106	3.3
177.05359	3.2
182.08145	31.4
193.10065	3.6
195.11682	5.1
196.12514	3.0
197.09628	3.7
202.58324	2.7
206.10999	3.6
209.09729	2.9
211.14810	3.5
221.13411	3.1
223.11147	6.0
225.12759	10.4
234.14882	22.8
237.12808	4.6
239.14301	3.4
249.12859	3.5
251.14172	2.5
253.15910	5.2
262.14301	11.2
267.13745	3.7
280.15436	72.8
281.15396	11.4
291.13818	4.5
309.14859	25.4
327.15906	27.9
345.16965	5.9
363.38226	2.7
369.16965	5.6
387.18042	13.9
407.39850	2.7
449.19702	11.4
491.20502	2.6
506.38388	2.7
509.21811	46.8
584.61011	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	848.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03341	3.0
71.08627	18.9
91.05460	43.7
93.07036	7.0
95.04956	13.9
99.08087	13.2
105.02763	6.0
105.03394	100.0
105.07015	13.9
106.06503	4.1
107.08601	7.3
116.10712	26.2
118.06522	14.3
119.04927	20.4
119.08535	5.4
121.06480	12.7
121.10175	3.5
123.08053	5.8
133.06451	6.1
133.10146	7.6
134.15643	3.6
135.08008	4.6
136.07582	47.5
147.04440	4.3
147.08038	5.3
149.05946	5.8
149.09627	6.4
161.09682	4.5
169.10091	5.3
179.08521	3.8
182.08087	19.7
183.11761	3.8
192.26791	3.0
193.10127	4.6
194.10950	4.0
195.11618	4.8
199.11224	3.8
211.11163	5.2
221.13284	8.0
223.11206	3.9
234.14932	15.8
239.14314	4.7
251.10826	5.9
261.12997	3.4
262.14545	12.3
263.13873	3.7
280.15405	58.1
281.15366	5.3
291.13498	4.2
309.14722	18.8
327.15710	25.3
345.16901	4.7
369.16953	4.8
387.17874	6.4
420.02945	4.0
509.21671	31.2
603.18860	4.0
771.93011	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	848.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86412	1.6
72.83406	1.5
82.07446	1.7
83.21702	2.0
103.05474	30.7
105.03378	19.7
131.04930	100.0
133.06480	2.7
150.62585	1.7
193.10034	2.1
195.11652	2.5
197.09804	2.3
207.11685	3.9
211.11159	2.1
223.11140	2.0
235.11189	3.0
253.12286	7.5
269.05679	2.0
269.11810	2.4
293.15308	6.4
295.13004	1.8
330.44794	1.9
331.13406	3.9
353.17465	3.0
355.15381	2.6
393.49963	1.9
413.19873	1.9
472.40509	2.0
475.19406	2.0
526.60767	1.8
681.28638	3.1
695.87848	2.0
848.38800	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	848.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46628	0.4
77.03912	0.6
79.05499	3.8
92.18520	0.8
95.04948	0.8
100.12285	0.4
102.39576	0.5
105.03388	20.6
105.04461	0.7
107.04949	74.7
134.09647	1.2
149.05975	17.3
152.30536	0.5
155.08473	0.9
165.07024	0.5
169.10188	0.5
179.08406	0.6
181.10091	2.1
183.11650	0.9
192.09315	2.3
193.10196	1.0
194.11755	100.0
195.11711	2.0
197.13335	1.7
207.11685	2.5
209.09560	2.2
210.10413	0.7
211.11069	1.0
213.12549	0.5
220.08920	0.9
223.11255	0.6
225.12781	1.0
227.10643	1.9
228.52347	0.6
234.55383	0.6
235.11171	2.0
241.85403	0.4
250.13062	0.5
253.12202	4.3
269.11713	0.9
313.14322	1.1
315.13614	0.5
331.13324	1.8
355.15628	0.7
417.36209	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	848.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89613	0.9
65.84963	1.0
67.05522	1.2
73.44088	1.1
91.04909	2.5
91.05479	76.8
95.04976	2.8
105.03394	45.2
105.04469	1.4
105.07026	1.7
109.92029	1.1
119.04937	39.8
131.08553	2.4
133.76045	1.3
134.09650	100.0
143.08508	1.7
145.06465	1.7
145.10078	1.3
147.04411	47.3
147.07996	1.1
155.08473	1.6
157.10205	1.7
161.06157	1.2
165.05354	1.3
165.06970	4.7
166.07854	2.1
167.08612	9.1
169.10118	2.5
178.07777	1.5
179.08565	12.5
180.09305	6.2
181.10158	8.8
183.11685	1.9
191.08488	1.8
192.09393	5.9
193.10104	10.6
194.10820	12.0
195.11725	9.7
197.09544	1.6
203.08553	2.8
204.09273	10.3
206.10907	9.3
207.11705	7.4
208.09709	1.6
209.13240	23.6
210.11255	67.3
211.11166	1.5
211.14822	2.1
218.10970	1.4
219.11662	17.2
221.09793	1.8
221.13261	22.9
222.10332	8.1
225.12791	1.9
237.12733	24.6
239.14314	4.7
244.12444	2.8
249.16457	1.8
252.12309	28.0
259.14844	1.5
277.16000	2.0
279.13690	2.6
281.15277	1.6
297.14987	8.9
313.57358	1.2
488.24438	11.7
530.26196	1.6
548.26459	42.3
608.28180	2.4
610.27954	9.8
670.30060	47.5
728.34076	1.3
730.32593	1.9
848.38147	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	848.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31628	1.2
63.31530	1.2
72.04483	1.2
81.03378	1.3
81.40889	1.3
91.05476	92.3
95.04961	5.7
98.06031	1.6
103.05468	2.5
105.03395	42.2
105.07020	2.5
119.04932	39.5
121.06486	1.7
129.07048	2.2
132.25844	1.2
134.09650	100.0
145.06497	1.8
147.04416	33.1
148.11166	2.7
155.08530	2.5
164.10716	1.5
165.06976	6.4
166.07813	1.4
167.08482	11.5
169.10106	5.8
178.07756	2.2
179.08575	13.2
180.09328	3.4
181.10147	10.1
189.05417	1.7
191.08548	2.1
192.09317	3.2
193.10173	10.3
194.09377	1.6
194.10803	10.8
195.11638	10.6
196.08868	1.6
197.13377	1.5
203.08565	3.3
204.09363	12.5
206.10905	10.6
207.11620	10.8
208.09575	2.3
209.13249	27.9
210.11246	87.9
211.11272	2.3
211.14795	1.8
219.11656	20.7
220.12360	1.7
221.09753	2.3
221.13231	21.7
222.10408	7.7
225.12921	1.6
235.11214	2.9
237.12752	27.9
239.14352	5.9
243.76938	1.6
244.12416	2.5
251.14264	2.9
252.12227	14.6
279.13864	1.5
281.15439	3.1
295.16949	2.7
297.14786	10.6
341.15387	1.8
346.92453	1.5
359.16284	1.8
408.75784	1.4
488.24002	13.8
548.26385	48.5
610.28076	14.9
670.19086	2.8
670.29999	48.7
848.38696	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	848.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04465	0.9
79.05495	1.0
91.05480	12.8
92.17847	2.5
95.04903	1.2
105.03403	14.3
105.07021	1.1
107.05006	1.0
119.04939	55.6
133.06441	1.7
134.08635	1.9
134.09651	58.9
147.04407	100.0
148.11174	1.4
165.05609	1.1
165.06953	3.7
167.08531	6.9
179.08549	8.8
180.09322	5.6
181.10027	8.2
189.05492	5.3
193.10159	2.0
194.10832	8.8
195.08083	1.3
195.11668	2.1
197.05717	1.2
204.09421	2.1
206.10849	1.4
207.06454	3.3
207.11647	1.1
208.12468	1.5
209.09801	1.4
209.13243	30.7
210.11340	2.3
219.11606	7.2
221.13162	2.2
221.38960	1.0
222.10466	5.6
237.12730	21.1
239.14264	1.5
244.12500	1.1
251.14343	1.5
252.12283	64.0
294.13086	1.3
297.14969	6.6
305.39081	1.2
327.89240	1.1
340.44119	1.0
387.60873	1.1
411.86011	1.2
520.26721	4.8
530.25281	8.1
548.26459	25.2
652.29309	4.2
670.30084	37.5
712.30182	1.2
820.44696	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	848.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18345	1.1
67.61243	1.2
85.69750	1.1
91.05485	16.7
92.18588	2.3
95.04966	2.2
105.03401	18.6
105.07024	2.2
119.04939	67.8
133.06467	1.8
134.09650	60.1
134.80873	1.1
147.04404	100.0
155.08582	2.4
165.05612	1.4
165.07008	2.2
166.07793	1.4
167.08551	6.1
169.10201	2.4
179.08595	7.5
180.09370	4.8
181.10178	9.4
189.05534	5.6
192.09438	1.6
193.10168	6.1
194.10886	12.1
195.11743	6.4
204.09422	6.2
207.06570	2.7
207.11755	7.1
209.13254	18.3
210.11270	10.9
211.11261	2.3
219.11684	9.4
221.13326	6.4
222.10413	2.7
237.12813	10.0
239.14316	2.2
244.12624	1.8
252.12291	41.4
252.14799	2.2
259.14813	1.2
284.31787	1.3
297.14853	2.5
314.31088	1.3
321.53085	1.1
488.24478	5.4
523.96936	1.2
530.25342	2.8
548.26440	26.8
610.27985	1.7
670.30017	39.2
850.36060	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	848.385
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	3.9
79.91457	0.5
91.05457	2.5
94.50346	0.6
95.04957	0.8
105.03385	18.9
105.07026	1.1
107.04948	63.7
117.91763	0.6
119.04962	1.4
134.09651	4.7
147.04393	3.0
149.05972	13.4
149.07076	1.1
155.08621	0.8
167.08539	0.6
181.10095	2.7
192.09352	0.8
193.10075	1.2
194.11758	100.0
195.11667	1.0
197.13309	0.7
207.11713	2.9
209.09578	0.8
210.11214	2.7
211.11183	1.3
213.42744	0.7
223.11136	1.2
225.12773	1.0
235.11198	0.8
237.12660	0.6
252.12251	2.6
253.12262	2.8
313.14230	0.8
353.38666	0.6
432.41058	0.7
670.29822	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	848.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62670	0.7
70.63771	0.8
70.99496	0.7
73.29050	0.9
77.03938	0.8
79.05504	1.4
84.92071	0.8
91.05479	72.5
95.04952	3.9
103.05481	1.6
105.03391	41.3
105.04465	1.3
105.07014	1.6
107.04956	1.9
117.07015	1.1
119.04940	52.9
119.08586	1.0
129.06992	1.5
131.08551	1.1
133.06509	1.8
134.09651	100.0
143.08548	3.5
145.10094	1.1
147.04407	68.5
148.11267	1.0
153.06903	0.9
155.08556	1.7
158.07104	1.0
159.08138	1.0
164.10657	1.1
165.05536	2.3
165.06958	4.9
166.07855	0.9
167.08546	10.3
169.10156	5.1
178.07719	1.1
179.08516	14.6
180.09355	5.9
181.10095	8.6
183.11623	1.0
189.05502	4.0
191.08589	3.5
192.09357	4.7
193.10081	7.3
194.10728	11.4
195.08093	2.9
195.11649	7.4
197.09557	1.2
203.08543	1.4
204.09343	10.3
205.10017	1.0
206.10846	5.5
207.06497	1.2
207.11682	8.4
208.09612	1.3
208.12639	1.0
209.09645	3.3
209.13234	29.4
210.11256	58.1
211.11232	2.8
211.14818	1.2
219.11678	17.8
220.12395	0.8
221.09680	1.3
221.13245	16.5
222.10385	8.6
225.12711	1.5
233.13245	1.3
235.11223	3.8
237.12726	28.8
239.14262	3.2
244.12442	1.7
249.16364	1.2
251.14250	3.0
252.09639	1.8
252.12274	43.4
252.14803	1.7
253.12187	1.0
255.13770	0.9
265.15881	0.8
277.15878	3.1
279.13699	1.7
281.15326	4.0
297.14871	8.9
341.14868	1.4
359.16373	1.7
401.17599	0.9
458.36179	0.8
488.24295	6.9
506.24854	1.3
520.27081	1.6
530.25452	3.2
548.26428	42.7
608.28406	3.7
610.27997	9.0
652.29010	3.2
670.30072	49.6
728.33539	1.2
730.32184	1.6
788.36133	1.1
848.38373	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	850.364
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86146	2.5
65.12189	2.4
69.03420	2.6
76.89631	2.9
83.04977	100.0
87.67986	2.7
88.11285	3.1
89.02249	3.0
90.66676	2.9
91.05465	6.5
93.07004	6.7
95.04961	6.5
97.20373	2.7
100.07629	23.8
105.03387	59.3
105.07024	24.3
105.82022	2.8
107.05027	3.3
107.08603	11.2
109.06507	4.7
119.08553	10.7
121.06487	15.4
121.10128	15.3
131.08530	3.5
133.06488	15.4
133.10129	12.7
135.08057	12.8
138.24664	3.1
147.08028	13.7
149.05997	6.0
149.09622	18.4
158.58926	3.2
159.08066	17.9
161.06018	3.7
161.09605	3.1
169.10103	3.7
177.09131	12.1
189.09084	3.3
200.22742	2.8
211.11230	3.2
235.14958	4.2
239.14200	3.7
264.12308	57.4
269.07910	2.8
281.15350	3.1
309.14886	5.0
327.15967	13.4
328.56558	2.7
387.18124	13.3
402.25177	3.2
405.19119	4.3
482.41571	3.2
491.20355	12.6
509.21704	33.2
551.22583	10.6
569.23663	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	851.2179
Annotation	LMPK12030009
Peak:m/z	Relative Intensity
61.54259	5.0
62.44101	5.7
66.68813	5.0
77.42088	6.3
83.98083	6.0
91.05387	6.3
100.17515	6.0
107.04959	83.5
119.04935	67.0
123.04371	61.5
127.03901	89.3
132.94482	6.9
135.04408	34.0
139.03932	100.0
145.06502	26.6
147.04381	59.2
149.02313	11.4
151.03926	30.4
163.03896	57.2
165.11647	7.3
167.03394	29.1
171.04367	11.8
179.03391	13.9
189.05450	9.8
191.03371	13.3
203.03419	10.5
229.04985	7.5
231.06535	68.6
245.04483	56.9
247.06012	24.5
255.06462	10.8
257.04395	36.8
259.06033	24.3
271.05948	10.2
273.07669	26.6
275.05554	29.0
283.06003	12.3
287.05533	31.2
289.07059	40.8
291.08698	15.2
301.06937	10.7
337.65680	6.8
344.48724	7.5
351.04803	9.1
383.07840	8.3
393.05814	19.5
409.09262	29.1
425.08716	10.2
427.10120	26.0
465.58383	7.5
519.13019	8.3
543.12848	12.9
561.13739	36.3
579.14850	51.6
681.15948	11.8
699.17114	13.0
747.54364	7.1
851.21722	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	854.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75776	0.9
62.08471	0.9
79.05473	4.2
81.07072	1.2
91.05484	11.1
93.07050	2.4
95.04948	8.5
97.06493	1.0
97.23077	1.1
105.03391	100.0
105.04507	3.5
105.07034	4.6
107.08568	1.7
109.06521	1.5
111.36160	1.0
118.06549	5.1
119.04928	4.4
119.08565	2.3
121.06481	5.7
122.06020	22.5
123.08038	1.1
131.08551	1.3
133.06493	5.6
133.10165	4.1
135.08105	1.0
143.08603	1.4
145.10107	1.6
147.07990	1.6
149.05952	2.0
149.09581	2.3
157.10077	1.9
159.08049	1.9
161.08286	1.0
161.09599	4.1
169.10107	1.1
171.11699	1.3
179.08511	1.2
183.11662	1.5
195.00607	1.1
195.11592	1.2
197.09737	1.2
199.11339	1.3
206.10931	2.1
207.11778	1.1
209.13263	1.6
211.11290	1.9
219.11517	1.2
220.12440	1.7
221.13300	1.6
223.11130	1.2
225.09113	1.1
225.12802	1.2
237.12703	2.0
239.14270	1.6
240.10179	8.6
248.11845	1.3
253.15936	2.0
263.14355	1.9
268.09906	1.5
281.15372	2.3
286.10715	19.1
291.13687	1.8
309.14789	6.4
327.15866	6.4
336.74496	1.2
369.16931	1.4
387.17868	1.7
491.20255	1.3
509.21585	10.4
639.85400	1.2
854.35132	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	854.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.8
73.03872	0.7
73.41212	0.6
75.39068	0.6
77.03928	3.2
79.05495	4.3
81.07040	0.8
88.93856	0.6
89.08016	0.7
91.05489	8.2
93.07027	2.6
95.04966	7.5
95.08596	0.7
105.03392	100.0
105.04528	3.4
105.07027	5.4
107.08587	3.2
109.06567	1.3
118.06525	4.7
119.04908	2.2
119.08574	3.1
120.68171	0.6
121.06447	4.6
121.10136	1.6
122.06025	28.1
123.08075	1.5
131.08565	1.4
132.59830	0.7
133.06480	3.9
133.10127	5.1
135.08060	1.2
143.08537	1.1
145.10101	0.8
147.08067	1.2
149.05977	2.7
149.09622	2.7
151.07607	0.9
157.10123	1.3
159.08025	2.7
161.09633	3.0
168.16304	0.7
169.10155	1.5
173.09589	1.6
175.07584	1.1
177.09253	0.8
181.10179	0.8
183.11731	1.2
185.09613	1.1
185.13264	0.8
193.10133	0.9
194.10962	1.1
195.11708	2.5
197.09602	1.0
197.13316	0.8
206.10912	0.8
209.09546	1.2
209.13249	1.2
211.11119	1.0
212.66986	0.7
213.09094	0.8
220.12439	1.0
221.13226	1.3
223.11133	1.2
224.11807	0.8
225.09109	0.9
227.14247	0.9
235.14803	1.1
237.12666	1.6
239.10651	0.8
239.14278	1.6
240.10178	8.7
253.15852	1.0
263.14389	2.7
267.13690	1.1
268.09708	2.8
281.15393	3.4
286.10733	27.0
291.13699	3.5
299.16440	1.0
309.14816	6.1
327.15881	9.0
340.30838	0.7
345.16858	2.9
369.17075	0.9
387.18088	6.3
405.18814	0.9
431.18451	0.7
447.19910	1.0
449.19479	3.1
452.49786	0.8
491.20490	1.1
509.21698	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	854.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49967	2.7
69.66773	2.5
73.94770	2.7
79.05499	3.1
91.05470	7.1
91.53302	2.9
96.47037	2.8
105.03385	100.0
117.76363	2.6
118.06575	4.2
121.10129	3.7
122.06029	14.3
126.08075	3.4
133.10178	3.4
149.09586	3.5
187.03992	2.9
187.44923	3.3
195.11676	3.7
197.09641	3.0
211.11058	4.2
225.62968	2.8
235.14833	4.0
240.10217	6.1
263.14227	6.1
286.10583	20.4
309.14893	3.2
327.15717	4.7
447.63986	3.1
464.21463	3.1
509.21680	19.4
563.17865	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	854.359
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85204	0.6
63.12313	0.7
66.80915	0.7
69.03424	1.0
70.64910	0.6
73.02919	0.9
77.03928	1.0
79.05533	0.9
83.04964	0.8
91.05477	73.7
92.17928	1.1
93.07011	2.6
95.04962	3.8
101.47695	0.7
103.05477	1.1
105.03390	18.2
105.04505	1.1
105.07032	5.8
107.08559	1.1
109.10172	1.1
119.04940	10.5
119.08587	2.9
120.08091	27.3
121.06525	3.2
121.10121	3.0
123.04399	1.0
129.06990	1.0
133.06461	1.7
133.10144	1.9
135.08047	1.0
143.08551	1.4
145.06477	1.5
145.10139	1.3
149.09613	1.2
150.51733	0.8
152.24588	0.8
155.08568	1.3
159.07999	1.0
161.09579	3.3
164.48073	0.8
165.05415	0.9
169.10100	1.7
171.08104	0.8
173.09630	1.9
175.07632	0.7
179.08630	0.8
180.09390	0.9
181.10074	2.9
183.11736	1.2
193.10170	2.8
195.11673	1.8
196.09682	100.0
199.11209	1.3
206.11021	0.9
207.11568	1.4
211.11217	3.6
213.12700	1.4
220.12480	1.3
221.13229	1.0
223.11203	1.7
226.51039	0.8
227.14378	0.9
235.14923	1.5
263.14426	1.7
281.15250	1.7
309.14804	1.2
311.16364	1.4
327.15958	3.9
345.16949	3.2
509.21680	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09012	11.6
67.05502	20.5
69.07046	13.6
79.03770	11.2
79.05478	18.1
81.07035	26.1
91.05469	14.1
92.04553	12.5
93.07039	18.1
95.08603	14.7
105.06988	22.5
107.08591	27.7
109.10267	12.6
119.08545	17.6
128.81212	12.3
135.09618	11.7
145.10094	12.9
152.06160	11.2
198.86110	12.7
247.57240	14.3
249.76320	12.7
291.19519	100.0
362.50690	13.5
365.23444	50.8
499.78241	12.0
499.86386	14.9
540.76678	13.5
559.35693	51.8
639.42255	20.0
680.30408	12.0
754.72681	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	854.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	69.9
69.07076	27.5
69.70752	14.3
77.63192	17.8
79.05486	31.8
81.07039	36.9
83.45979	17.5
83.47927	17.3
93.07030	36.7
95.08596	34.5
105.07050	22.3
107.08583	23.4
108.21597	16.5
119.08582	17.2
133.10123	36.5
134.13907	18.2
160.53539	16.7
184.07281	27.9
223.13199	20.7
253.14365	18.9
255.16457	17.7
291.19629	36.5
365.23428	19.2
398.71887	16.4
559.36041	100.0
639.42468	28.2
657.43634	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	855.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60115	0.9
73.67464	1.1
78.03462	10.4
82.65010	1.0
91.05484	21.7
93.07028	5.1
95.04965	4.4
96.04465	2.2
103.52121	1.0
105.03398	36.6
105.04491	1.7
105.07026	6.5
106.02915	100.0
106.06549	6.9
107.08616	1.3
109.06489	1.2
114.12665	1.0
118.06535	67.3
119.04934	20.9
121.06477	4.4
121.10091	1.7
123.05539	22.9
123.08087	1.6
124.03941	4.5
128.06216	1.0
131.08556	1.5
133.06476	2.2
133.10077	1.9
143.08571	1.1
146.38521	1.2
149.05945	1.5
149.09608	2.1
159.08005	1.7
161.09587	4.1
177.05383	1.5
177.09193	1.7
179.08502	1.3
181.10072	1.5
183.11661	1.5
193.10168	1.1
195.11658	1.5
199.11177	1.8
201.40201	1.2
209.09586	1.3
220.12527	1.8
221.13185	1.5
223.08818	2.1
223.10997	2.8
227.10603	1.1
237.12822	1.3
239.14212	1.4
241.09700	78.6
241.11848	3.0
248.12122	1.4
253.12485	1.1
263.14328	1.5
267.13925	1.3
269.09180	16.8
269.11700	1.7
281.15427	1.9
287.10275	23.8
291.13705	1.4
309.14868	5.6
310.79828	1.1
327.15875	5.1
369.16809	1.3
379.91626	1.1
385.14258	1.4
387.18253	2.1
419.26620	1.2
509.21722	14.4
655.25879	1.4
777.30011	2.5
795.30811	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	855.37
Annotation	Unknow
Peak:m/z	Relative Intensity
74.54241	1.5
79.05482	2.7
85.50171	1.9
91.05479	12.8
95.04970	3.2
105.03396	100.0
105.07057	2.4
106.03738	2.5
118.06549	6.6
119.04977	2.4
122.06030	46.4
123.07944	1.5
133.06447	2.0
240.10106	2.2
256.27655	1.5
268.09433	1.6
286.10693	47.0
309.14752	2.6
382.20041	1.6
523.94891	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	856.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34999	2.9
63.79099	3.2
74.06055	7.7
91.05465	23.3
95.04939	5.3
95.41495	3.5
96.04239	48.3
99.00568	4.5
100.14594	3.6
105.03415	37.8
105.07019	22.2
105.07673	3.6
107.08537	4.4
117.47881	4.0
119.04883	4.9
119.08543	4.0
132.08064	6.8
134.09637	8.1
141.01527	5.3
143.08530	4.5
147.08002	5.4
150.09113	14.3
155.08569	6.4
157.10078	3.8
161.09567	4.0
180.09358	5.3
181.10077	14.4
192.10181	20.9
193.10150	8.3
194.10907	17.4
195.11702	4.8
207.11668	5.4
209.13248	24.7
210.11317	14.7
214.08368	19.0
219.11732	15.9
220.09705	30.8
237.12700	26.5
240.01123	4.7
242.07806	42.9
260.08929	58.6
295.16898	4.2
395.18231	5.7
437.19058	3.7
455.20282	15.7
548.26782	6.8
556.22968	59.8
559.23065	16.8
674.29260	16.1
678.26611	50.2
734.30652	6.9
736.31866	4.9
796.32922	90.0
831.31134	5.4
832.18652	5.2
856.34821	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	856.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90453	1.5
77.28277	1.6
79.05454	1.6
95.18031	1.5
96.04231	2.7
105.03392	7.9
105.07079	2.9
107.38563	1.4
110.73109	1.8
123.00583	2.4
132.08101	3.0
133.06488	7.5
133.10172	1.7
134.09677	2.0
141.01608	3.3
143.04718	9.6
143.08578	2.0
150.06776	2.6
169.10132	2.1
179.08502	2.2
183.02744	1.9
190.35684	1.8
194.10851	2.0
209.13327	10.0
210.11127	2.0
211.11092	2.4
214.08430	10.4
219.11758	2.3
220.09666	40.2
237.12823	3.3
242.07874	40.4
255.13733	2.1
255.71468	1.7
288.12207	3.9
302.09891	13.9
327.88272	1.6
335.16202	4.1
455.20514	9.8
466.42047	2.2
481.12225	1.8
531.10272	1.9
577.23969	23.4
619.25439	2.1
734.31403	18.5
796.33453	3.4
805.08887	1.7
814.14618	2.0
856.35089	100.0
858.72040	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	856.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.4
69.03440	0.5
77.50856	0.4
78.89421	0.4
79.05479	2.6
81.07047	0.6
83.04961	0.8
85.02911	0.6
86.48860	0.4
91.05487	3.5
93.07030	0.8
95.04969	0.6
97.06532	0.8
105.07020	1.7
107.04933	1.7
107.08613	0.8
109.06540	0.7
111.04499	0.5
115.23205	0.4
117.07016	0.7
118.06508	0.5
119.04956	5.6
119.08606	1.7
120.08112	2.4
121.06456	0.8
121.10102	1.0
123.08067	0.8
125.05941	0.8
129.06981	0.6
131.08554	0.9
133.06511	0.8
133.10130	1.6
134.09648	100.0
135.04391	0.9
135.08029	1.0
137.09633	1.0
143.08566	0.6
145.06467	0.6
145.10129	0.8
147.04393	10.6
147.08034	0.7
149.09621	2.3
153.05496	0.6
155.08582	0.6
157.10114	0.7
159.08063	0.8
159.11653	0.9
161.09598	0.9
166.92979	0.5
169.10123	0.9
171.08041	0.6
171.11674	0.8
173.09633	0.9
175.07668	0.5
175.11125	0.5
177.12607	0.5
179.08458	0.5
181.10139	1.7
183.11641	1.5
185.09703	0.8
187.11182	1.6
189.12685	0.5
193.10178	0.4
195.11613	0.7
197.09576	0.7
197.13271	0.8
199.11192	0.8
201.12817	0.5
203.10539	0.5
205.12253	0.5
207.11792	0.9
209.13310	0.6
211.11214	0.5
211.14836	0.4
219.11732	0.9
223.11150	0.5
225.12692	1.8
234.14084	0.7
235.10989	0.5
237.12679	0.7
239.10658	0.5
239.17937	0.5
247.11185	0.7
249.16451	0.9
252.12276	7.0
262.13474	0.7
267.17514	2.2
277.15875	2.4
285.18457	0.6
295.16937	5.0
313.17969	5.2
337.17975	0.6
355.19019	9.4
397.20123	2.5
415.21091	3.3
457.22232	0.7
666.32507	1.6
708.33557	1.5
756.40631	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	856.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.2
67.05496	0.4
67.31432	0.2
67.71530	0.2
69.03423	0.2
69.07040	0.4
72.04488	0.5
72.53201	0.2
76.74967	0.2
79.05495	2.1
81.07062	0.3
83.04972	1.0
85.02889	0.2
85.84894	0.2
91.05472	3.6
93.07043	0.9
95.04970	0.5
95.08601	0.5
97.06499	0.8
105.04514	0.2
105.07037	2.2
107.04945	1.0
107.06017	0.2
107.08575	1.4
109.06468	0.3
109.10123	0.5
111.04379	0.7
111.08104	0.2
115.05430	0.3
115.33974	0.2
117.07030	0.3
118.06574	0.3
119.04952	4.3
119.05771	0.4
119.08572	2.4
120.08090	1.1
121.06506	1.2
121.10059	0.3
121.81993	0.2
123.08058	1.4
125.06029	0.5
129.07008	0.5
131.08611	1.5
133.06490	0.5
133.10156	1.7
134.09650	100.0
135.04425	0.4
135.08022	1.0
136.17148	0.2
137.09639	1.2
137.29813	0.2
143.08568	1.2
145.06458	0.5
145.10117	1.3
147.04398	8.7
147.08063	1.2
147.11662	0.3
149.09657	2.2
149.13290	0.2
153.05493	0.4
155.08546	0.9
156.09286	0.3
157.10124	1.2
159.08069	1.1
159.11691	1.4
161.09613	0.3
163.07538	0.3
163.11116	0.4
165.05557	0.2
165.08980	0.2
168.09337	0.2
169.10172	1.0
171.08057	0.9
171.11633	1.6
172.72821	0.2
173.09618	1.4
173.13316	0.3
175.07619	0.3
175.11154	0.3
177.09062	0.3
177.12738	0.4
178.07884	0.2
179.08540	0.4
181.10098	0.8
183.11638	1.5
185.09648	0.9
185.13258	0.4
187.11189	1.1
189.05406	0.4
189.09122	0.4
189.12746	0.4
191.10674	0.3
193.10146	1.7
194.10817	0.2
195.11754	0.4
196.12453	0.2
197.09700	0.8
197.13268	0.9
199.11226	1.2
201.09138	0.3
201.12799	0.5
203.10693	0.3
205.10362	0.3
205.12282	1.0
207.06502	0.3
207.10019	0.3
207.11717	1.4
208.12537	0.3
209.09569	0.3
209.13293	0.5
211.11125	1.7
211.14729	0.4
213.12755	0.5
215.10616	0.3
217.12222	1.3
219.11702	0.5
220.12527	0.9
221.13246	0.3
223.11188	0.9
223.14771	0.4
225.12781	1.7
234.14037	0.9
235.11275	0.3
237.12619	0.9
239.14371	0.3
239.17969	0.2
241.12436	0.2
244.57635	0.3
247.11125	0.4
247.13336	0.8
249.16542	1.5
251.14351	0.8
252.12288	6.5
253.15781	1.0
259.14932	0.3
262.13678	0.9
267.17511	1.8
277.15823	2.1
285.18716	0.3
294.13477	0.9
295.16925	5.2
295.20001	0.3
313.17902	5.7
331.19229	0.3
337.17862	1.5
355.19000	8.4
373.20212	0.4
383.18716	0.3
397.20090	2.4
415.21048	3.6
457.21912	1.9
648.31714	0.5
666.32904	1.9
708.33466	0.8
856.38751	0.3
869.28540	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53213	3.9
67.05224	3.9
67.05512	74.3
67.97745	3.9
69.03429	8.0
69.07066	34.8
79.05500	54.4
81.03406	21.4
81.07063	100.0
83.04987	7.2
83.08621	17.6
85.06532	5.9
91.05470	55.2
93.07046	77.8
95.04964	16.8
95.08621	43.9
97.02906	5.2
97.06514	25.6
97.10156	15.7
105.07031	44.2
107.04964	9.0
107.08599	59.0
109.06512	7.7
109.10133	23.4
111.08088	6.8
117.07007	23.4
119.08554	38.7
121.06519	8.5
121.10164	42.8
123.08038	7.5
123.11663	5.5
125.09637	7.7
129.07001	4.3
131.08554	39.7
133.10129	48.3
135.08018	5.4
135.11711	34.1
138.24265	4.0
141.07021	4.8
145.10141	30.6
147.11687	21.3
149.09648	16.6
149.13206	18.5
151.11246	6.4
155.08530	5.4
157.10228	8.4
159.11588	28.5
160.87987	4.2
161.13190	6.7
163.11230	8.8
171.11703	8.5
173.13231	5.4
177.12799	5.9
198.10556	4.1
212.50169	4.9
255.15970	5.7
257.18933	4.3
269.17386	31.3
275.20020	32.1
302.11667	4.4
349.23840	47.5
367.24768	8.0
447.30707	5.1
449.28986	37.0
463.30444	43.6
525.35278	4.7
529.35229	19.4
543.36835	79.7
561.38000	23.1
607.34167	4.6
623.43408	17.0
641.44104	9.2
856.26477	4.4
856.47034	6.5
885.13068	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81704	3.6
60.95632	3.9
61.02950	4.0
67.05510	74.8
69.07076	35.2
71.04990	8.5
79.05494	67.2
81.03416	8.7
81.07063	100.0
83.04977	20.0
83.08616	21.9
85.06531	5.7
91.05482	39.1
93.07038	89.7
95.04964	18.3
95.08601	61.3
97.06536	21.6
97.10164	7.2
99.08102	4.8
105.07034	49.0
107.04942	9.1
107.08595	72.3
109.06522	16.7
109.10167	22.7
111.08082	20.3
117.06992	28.9
119.08595	49.5
119.48025	4.8
121.06492	9.7
121.10130	32.2
123.08059	5.6
123.11732	8.2
123.93498	4.6
131.08548	35.1
133.10097	51.0
135.08084	9.2
135.11719	30.3
137.09543	4.5
145.10100	32.1
147.11696	20.1
149.09621	25.0
149.13229	19.5
153.59468	4.6
157.10136	7.0
159.11700	24.1
163.11162	8.6
169.10083	7.3
171.11670	10.0
173.13266	17.4
177.12727	6.5
195.13789	6.4
255.15939	5.8
257.19049	5.6
269.17578	31.4
271.74509	4.5
275.20276	32.2
349.23712	29.8
367.24637	5.3
409.40186	4.3
449.28894	28.1
463.30505	49.8
529.35004	8.2
543.36755	72.6
561.37683	24.6
607.34778	5.7
623.42828	8.8
636.54822	5.7
641.44043	18.3
717.91205	5.8
844.23041	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	858.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68753	1.3
61.49130	1.3
64.94415	1.5
79.05464	2.4
91.05470	1.9
98.69481	1.5
103.05474	8.3
107.04948	65.3
131.04924	24.0
134.09650	100.0
149.05965	8.4
155.08557	2.2
165.06865	1.8
167.08575	6.2
169.10143	3.3
176.14310	1.6
179.08475	3.4
180.09311	2.3
181.10164	2.8
191.08568	2.7
193.10254	1.8
194.11819	54.2
195.11620	3.8
204.09294	8.3
206.10948	5.8
207.11761	5.5
209.13229	17.5
219.11676	24.0
220.12543	2.2
221.13304	13.1
222.10390	2.3
237.12729	22.5
244.12654	2.1
251.14243	1.9
281.15292	2.7
297.14819	8.5
316.10034	1.5
338.58990	1.5
472.24994	11.7
490.25937	3.4
532.26874	35.7
680.31860	19.5
858.40747	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	859.4808
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
63.59964	4.8
378.93790	5.7
429.59262	6.6
551.28149	9.3
805.50690	6.3
859.47852	100.0
861.78229	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	860.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18478	4.0
66.24007	4.1
74.71832	3.8
74.96293	3.9
75.22562	3.5
82.02148	4.7
87.04490	6.4
91.05458	33.4
92.83725	4.0
93.07028	5.5
95.04975	7.4
105.03387	100.0
105.07018	5.9
107.08657	4.4
109.05744	3.9
110.75652	3.9
112.94860	4.2
114.05537	64.7
115.03916	82.3
117.86758	4.4
119.04925	23.5
119.08591	6.1
121.06490	6.1
125.05941	4.2
131.08534	7.3
132.08136	17.0
133.06541	5.6
133.10091	8.3
135.08049	6.2
143.08582	7.1
146.08093	7.8
149.05984	4.9
150.09106	10.2
159.08012	17.7
161.09630	10.2
179.08525	4.5
180.00821	5.0
181.10040	6.3
195.11787	5.3
211.11159	7.1
213.12744	4.6
220.12390	5.6
221.13307	5.0
223.14899	5.0
232.09671	8.5
235.14828	8.1
237.12747	9.8
248.11960	6.4
253.15851	5.0
263.14243	7.5
264.12140	34.1
265.12143	7.3
279.13934	4.6
281.15567	7.1
291.13898	8.1
292.11841	35.0
309.14938	26.1
310.12784	19.7
327.15973	18.9
369.16953	8.7
401.00162	5.7
431.18613	6.6
473.19241	7.0
491.20752	7.7
551.22815	17.3
653.02228	4.8
655.25366	6.5
731.01349	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	861.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
79.61924	3.0
87.73592	3.6
95.04971	4.2
107.04952	57.1
119.04939	47.4
123.04420	23.1
127.53562	3.9
139.03909	6.6
145.06479	7.2
147.04390	28.6
149.02287	5.2
151.03908	15.7
163.03993	4.4
167.03406	5.9
179.03348	4.1
203.03369	4.7
231.06522	24.5
243.06453	3.2
244.03702	3.8
273.07620	15.0
299.05453	5.4
315.04984	18.0
317.06570	53.2
329.06665	4.8
351.00854	3.8
442.59857	3.6
453.08026	5.5
589.13336	100.0
589.21735	4.3
726.86798	3.8
861.19910	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	862.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43544	1.1
72.04512	6.1
74.47171	0.9
77.03884	1.3
79.05478	7.6
88.28191	0.9
94.52687	1.0
95.04961	8.4
103.05457	1.5
105.02676	1.7
105.03387	53.0
105.04531	4.3
107.04949	79.5
109.06522	4.1
113.06021	2.2
123.04431	1.5
125.05948	2.3
129.06995	1.6
131.04912	8.0
131.08578	1.4
134.09642	12.9
141.07019	1.2
145.06561	3.5
149.05974	15.6
155.08537	1.7
157.06526	1.2
159.08060	1.4
159.96295	1.2
167.08504	1.2
169.10167	1.4
171.08063	1.4
181.10178	4.3
183.08070	1.6
185.09622	1.6
193.10161	1.6
194.11748	67.6
195.11690	2.4
197.09637	1.3
201.09134	1.3
204.09309	1.4
207.11687	1.3
209.09612	1.6
209.13330	1.9
219.11676	1.9
221.09804	1.4
223.11179	3.8
233.13312	1.6
235.11250	1.4
237.12904	2.1
247.11015	1.4
263.90100	1.0
265.12393	4.3
279.13968	2.1
283.13385	1.5
295.13284	2.4
297.14755	1.6
307.13495	2.0
313.14392	2.2
325.14377	7.2
338.15698	1.2
385.16702	1.8
445.18710	2.4
549.21606	1.5
756.83740	1.1
782.19000	1.3
826.15015	1.2
862.36359	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	862.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96577	0.9
68.01497	1.0
69.03436	1.3
70.11193	0.9
72.04510	4.8
75.10818	0.9
77.03945	1.8
79.05487	8.2
80.11958	1.0
84.27623	1.0
95.04977	8.6
97.06511	1.2
103.05453	1.8
105.03394	58.3
107.04957	80.1
109.06519	3.6
113.05980	2.3
123.04368	1.7
123.08093	1.3
125.05994	1.5
131.04919	8.6
131.08638	1.1
133.06573	1.1
134.09637	9.3
139.07585	1.6
143.61517	0.9
145.06491	1.5
149.05977	13.6
159.08061	1.6
161.06146	1.1
166.85858	1.1
171.08073	1.2
178.65668	0.9
179.08546	1.5
181.08704	1.2
181.10199	4.4
187.07614	1.3
193.10185	2.4
194.11771	78.8
195.08147	1.1
195.11737	1.5
197.09712	1.9
204.09433	1.2
207.11852	1.5
209.09644	3.9
209.13138	1.4
211.11206	1.6
219.11824	1.7
221.09746	1.7
223.11208	5.2
235.11183	1.9
237.12839	4.0
238.49817	1.1
239.10780	1.5
241.12262	1.8
247.11290	1.4
251.14421	1.5
253.12286	1.1
261.12982	1.5
265.12411	2.2
267.13873	1.1
279.13989	2.2
283.13449	2.0
295.13214	2.1
307.13367	1.5
313.14511	1.5
325.14554	6.0
343.15555	1.7
385.16418	1.4
445.18591	1.2
549.21643	2.1
669.25464	1.7
862.36407	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	862.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94663	1.4
72.04507	5.9
72.17352	1.4
79.05488	10.1
91.05482	14.6
91.05954	1.5
95.04958	9.1
105.03381	66.9
105.04487	3.1
105.07024	3.0
107.04948	87.5
109.06540	2.9
109.07231	1.8
119.04916	2.9
119.08564	1.7
123.04447	5.3
125.05977	1.7
129.06993	2.6
131.04913	7.7
131.08612	2.1
134.09644	29.6
143.08600	2.7
145.06502	2.0
149.05951	19.2
164.43629	1.8
171.08047	1.7
179.08557	2.9
181.10126	3.0
193.10176	2.2
194.11768	73.4
195.11707	2.5
197.09624	2.6
204.09390	1.8
207.11655	2.4
209.13245	3.0
210.11230	10.5
211.11163	2.1
219.11702	5.5
221.09680	1.5
221.13211	2.7
223.11188	3.4
235.11266	3.3
237.12776	7.0
241.12230	1.8
253.12337	2.1
265.12247	3.6
279.13635	2.3
307.13458	2.0
313.14447	6.0
325.14359	7.7
343.19952	1.8
448.64511	1.7
548.26624	2.3
862.36279	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	862.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65800	0.9
65.79965	1.1
72.04512	6.2
75.98119	0.9
79.05481	8.0
80.56597	0.9
81.07075	1.1
85.97168	1.1
88.29429	0.9
95.04939	7.2
97.06528	1.1
103.05444	2.3
105.03391	51.8
105.04488	2.0
105.07064	1.9
107.04946	65.5
109.06502	1.7
113.06007	1.3
114.45367	1.1
119.04928	1.3
123.04475	1.4
125.05972	1.2
126.40333	1.1
131.04959	5.4
134.09608	8.1
145.06462	1.4
149.06006	13.9
150.09230	0.9
158.29657	0.9
159.08076	1.2
161.06039	1.6
179.08626	1.2
181.08592	1.5
181.10121	2.0
183.08133	1.8
193.10147	3.8
194.11757	58.9
195.11732	1.7
197.09642	1.8
199.07527	1.7
209.09662	1.3
209.13313	1.7
213.12750	1.5
221.09521	1.4
223.05595	1.1
223.11240	3.8
233.13298	1.0
235.11154	1.7
237.12572	1.3
241.12326	1.6
249.12822	1.4
261.12769	1.5
265.12213	4.1
279.13821	1.9
307.13138	1.4
313.14590	1.7
325.14282	7.9
350.83182	1.2
367.15781	1.2
385.16605	2.1
445.18799	1.4
549.21222	1.5
669.25195	3.7
862.36334	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	862.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03892	1.0
72.04515	5.1
77.03922	1.3
79.05489	8.3
91.05451	1.3
95.04961	6.2
97.06524	1.6
103.05479	1.2
105.03391	51.6
105.04469	2.1
107.04954	64.8
109.06524	2.4
113.05980	1.9
117.06969	1.1
123.04466	1.5
125.06017	1.9
131.04889	9.0
134.09660	7.0
139.07600	1.2
143.08588	1.4
145.06534	1.8
147.71086	1.1
149.05998	14.0
155.08488	1.4
165.07001	1.3
169.06525	1.4
171.08113	1.2
179.08522	1.2
181.10199	4.0
183.08177	1.5
193.10147	1.9
194.11777	57.6
195.11739	2.2
207.11748	1.7
209.09653	1.3
219.11710	1.5
221.09828	1.5
223.11229	4.3
225.12839	1.4
235.11240	1.4
237.12872	2.2
265.12286	2.5
279.13837	1.4
295.13391	1.7
297.14896	1.3
307.13544	1.7
313.14371	2.2
325.14487	5.1
343.15579	1.7
385.16818	1.2
445.18665	1.9
501.85715	1.2
640.63293	1.1
836.46448	1.2
862.36371	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	862.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33116	0.9
68.75461	1.0
72.04517	6.4
77.03950	1.2
78.87598	1.2
79.05513	8.6
95.04965	8.9
97.06517	0.9
103.05491	2.1
105.03393	61.1
105.04492	2.2
105.07080	3.9
107.04951	80.3
109.06529	4.2
110.56039	1.0
112.96431	1.1
113.06029	1.1
117.07021	1.3
123.04433	1.8
125.06022	1.6
129.06967	1.3
130.84052	1.0
131.04955	8.6
131.08560	1.6
133.06511	1.1
134.09628	9.8
139.07544	1.4
145.06488	2.3
149.05984	13.4
155.08612	2.1
157.06395	1.3
159.08093	1.1
167.08482	1.2
171.08073	1.5
181.08572	1.6
181.10138	1.3
193.10135	2.4
194.11769	63.7
195.08093	1.5
195.11630	2.2
205.10249	1.7
207.07455	1.2
207.11740	1.4
208.71542	1.3
209.09587	1.7
219.11691	3.7
221.09673	1.9
223.11346	1.5
225.12656	1.3
235.11172	2.4
237.12770	4.6
241.12186	3.4
247.11165	1.2
253.12299	1.3
265.12332	4.5
277.12344	1.5
279.13889	1.8
283.13379	2.3
289.11938	1.0
295.13382	1.6
307.13443	2.0
313.14511	4.4
325.14429	5.4
343.15668	1.1
385.16583	2.2
396.41049	1.0
445.18823	2.0
447.98218	0.9
474.60583	1.0
507.20618	1.0
669.25195	1.3
862.36377	100.0
894.92902	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	862.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80698	1.1
67.05502	1.9
71.08633	15.3
72.05446	1.4
77.03899	1.9
79.05492	4.8
81.03435	1.3
81.07040	1.3
83.20518	1.2
91.05476	41.9
92.49190	1.3
93.07043	10.1
95.04978	12.0
95.08603	2.5
99.08080	6.3
103.05432	1.8
105.02678	3.0
105.03392	90.0
105.04513	5.6
105.07037	16.5
107.04952	1.8
107.08588	2.2
109.06499	2.4
114.27244	1.4
117.05773	2.9
117.07032	1.7
119.04939	12.9
119.08588	10.3
120.08088	17.1
121.06491	12.8
121.10136	6.5
123.08059	6.1
129.06999	1.2
130.12273	100.0
131.08578	2.5
132.08083	32.0
133.06432	11.5
133.10120	12.2
135.08034	3.1
143.08559	3.0
145.06442	2.3
145.10095	1.9
147.08083	7.2
149.05972	6.9
149.09642	6.8
150.08037	2.3
150.09134	35.4
151.07564	1.4
155.08548	1.6
157.10124	5.4
159.08008	7.2
161.05890	1.3
161.09613	8.2
165.06973	2.5
167.08510	1.7
169.10107	8.3
171.08043	2.2
171.11621	2.3
173.09637	4.5
175.07597	1.5
177.05396	2.2
178.08730	2.2
179.08510	1.8
180.09470	1.6
181.10165	2.9
183.08110	1.4
183.11707	6.6
185.09595	2.3
185.13280	1.6
187.11165	2.5
193.10115	3.0
195.11699	3.2
196.09708	35.3
197.09639	2.9
197.13188	2.4
199.11324	3.5
206.10880	5.6
207.11772	2.3
209.09573	2.1
209.13268	1.8
211.11147	2.7
211.14784	2.2
219.11684	1.8
220.12524	3.1
221.13345	5.7
222.10510	2.7
223.11163	3.1
224.12013	1.7
225.09048	1.7
225.12665	1.8
227.14279	1.7
230.10992	1.8
233.09668	2.2
235.14728	2.7
237.12723	2.9
239.10658	2.8
239.14285	6.0
245.13287	2.0
247.11058	1.5
248.12143	2.1
248.16418	27.4
249.12788	2.5
251.14430	1.5
253.15913	1.6
263.14297	3.1
267.13742	1.9
275.93445	1.4
276.15933	33.5
281.15378	7.5
291.13907	2.2
294.17001	49.5
299.16580	1.8
309.14804	11.6
327.15936	11.9
345.16910	2.7
369.16867	2.1
387.17923	2.3
392.76907	1.4
398.19690	1.6
491.20569	1.9
509.21704	21.0
569.23621	2.2
618.26642	1.7
670.75909	1.5
736.80713	1.4
862.38068	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	862.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86085	1.0
69.03440	1.5
71.08619	10.1
79.05501	2.2
81.03391	1.9
81.07071	1.2
88.07622	1.6
90.18205	1.1
90.38377	1.2
91.04904	1.6
91.05473	41.4
93.07043	8.8
95.04969	12.5
95.08591	1.9
96.44002	1.1
99.08090	7.3
103.05459	1.7
105.03393	88.0
105.04514	4.4
105.07025	15.6
107.04941	2.8
107.08579	5.5
109.06519	5.4
117.05791	1.3
117.06956	1.1
119.04939	12.3
119.08586	9.2
120.08102	18.7
121.06466	9.3
121.10121	5.9
123.08053	5.9
130.12273	100.0
131.08566	4.4
132.08078	22.5
133.06467	13.8
133.10115	8.6
135.08081	4.9
137.05980	1.5
143.08578	2.3
145.06516	2.4
145.10138	4.4
145.42468	1.3
147.04401	1.8
147.08014	6.1
149.05994	4.7
149.09639	5.2
150.09129	27.1
151.07483	1.9
155.08540	4.2
156.09361	1.5
157.10094	5.8
159.08052	7.0
159.11688	1.2
161.09602	6.3
165.06969	1.2
166.75012	1.2
167.08424	1.6
169.10092	7.5
171.11656	1.6
173.09633	2.2
175.07550	4.5
177.05379	1.4
177.09134	2.0
179.08566	2.5
181.10112	4.6
183.08000	1.6
183.11685	6.3
185.09656	2.6
187.07515	1.2
187.11128	1.9
189.08826	1.2
193.10138	5.0
194.10855	2.4
195.07982	1.8
195.11690	6.4
196.09724	28.7
197.09592	5.2
197.13217	2.6
199.11267	4.4
201.09036	1.1
204.09427	1.4
205.10065	1.5
206.10890	7.4
207.11646	4.8
209.09608	2.7
209.13184	5.1
210.10406	1.2
211.11131	5.2
211.14828	2.0
213.07538	1.2
213.12775	1.7
219.11667	1.4
220.12515	4.8
221.09613	1.9
221.13177	6.4
222.10500	1.8
223.11159	5.8
223.14757	1.6
225.09145	2.5
225.12749	2.6
230.10936	1.3
233.09715	2.1
235.14819	6.2
236.11871	1.7
237.12643	4.7
239.14268	5.6
247.11095	1.4
248.12227	3.4
248.16399	16.8
249.12679	2.3
253.15900	4.4
263.14230	7.4
267.13699	1.7
269.11807	1.3
276.15955	24.5
281.15421	8.1
291.13821	8.8
294.16959	52.8
299.16312	2.4
309.14758	15.2
327.15900	15.5
345.16934	2.1
387.17993	7.3
412.68756	1.3
449.19330	1.5
509.21671	29.2
551.23108	1.2
569.23767	6.4
655.25555	1.2
757.78668	1.2
862.36603	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	862.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	7.1
69.03417	34.2
69.07071	65.6
73.02905	66.2
76.14535	4.6
85.02902	100.0
97.02872	79.4
107.04943	26.4
109.02895	9.7
110.41151	5.1
111.04442	5.3
111.11704	19.9
115.03946	41.8
121.10149	5.2
127.03908	54.6
133.04970	27.0
145.04929	12.8
163.03812	6.3
163.05969	8.1
180.10190	23.7
207.45378	5.8
259.08127	12.0
295.10281	33.4
385.29611	5.1
440.24744	74.1
446.05008	5.3
450.55264	6.0
530.57635	6.4
750.38336	6.5
846.31500	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	863.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49418	2.8
64.00845	3.3
90.84799	3.5
91.05444	3.7
106.50049	3.1
107.04951	91.1
107.05660	3.3
109.85036	3.3
110.00796	3.1
111.57585	3.4
117.44444	3.4
119.04947	100.0
121.02896	5.8
123.04438	28.4
125.02346	4.6
137.06007	5.7
141.05437	8.6
147.04404	76.1
151.54362	3.8
153.05452	21.9
163.03920	16.0
163.68829	4.1
164.26239	3.6
165.05507	29.1
166.02394	3.5
171.04408	3.5
181.04939	22.9
193.05052	4.6
205.04836	4.8
213.05815	3.6
213.09123	6.5
229.08716	5.0
241.08646	18.1
244.07213	6.5
245.08102	68.1
255.06686	5.2
257.08118	16.2
259.05997	6.7
259.09671	5.9
269.08115	18.3
271.05975	5.9
287.09100	63.4
297.07623	6.6
301.07074	7.6
349.10834	4.9
377.10205	22.4
405.09833	7.4
419.11292	18.5
423.10791	18.0
559.16125	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.254
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06232	2.9
67.29004	2.8
93.28568	2.9
107.04947	88.4
107.86453	3.0
119.04936	77.8
121.02879	5.8
123.04431	18.1
133.06493	5.0
137.05971	4.3
139.03912	5.9
147.04401	78.4
151.03925	7.8
153.05438	17.7
161.05997	3.9
163.03888	6.1
165.05496	25.2
167.03346	5.9
171.04407	6.1
181.04929	26.4
189.05344	4.3
193.04907	3.3
205.04979	20.7
213.05453	4.6
213.09190	4.1
215.07040	3.6
231.06483	45.4
233.04620	3.2
241.08511	17.7
244.03604	13.2
245.04480	19.3
245.08023	40.0
255.06479	4.0
257.08127	18.8
259.09650	5.4
269.08154	23.1
271.06024	7.6
271.09790	3.9
273.07562	15.9
285.04495	5.1
285.07632	17.4
287.06161	6.2
287.09125	100.0
288.06390	17.8
297.07507	13.5
299.05652	4.4
299.09171	6.3
303.08527	28.2
315.08640	13.6
317.07007	4.1
321.07541	20.2
339.08563	5.2
363.08615	12.4
365.06668	6.2
377.10132	5.8
381.09760	26.4
391.07895	12.3
392.67773	3.6
405.09512	6.0
407.07489	28.1
421.08835	5.9
423.10797	7.6
435.10724	5.9
437.12256	4.7
439.13965	13.1
517.14679	7.1
559.16095	47.0
591.18933	35.3
727.19507	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	863.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59669	1.6
75.57970	1.1
91.05487	2.5
95.04956	5.3
105.04456	1.5
107.04955	100.0
111.04401	1.6
119.04070	3.2
119.04936	96.6
121.02856	2.3
123.04408	17.9
125.02358	6.1
133.06474	3.3
137.05994	7.7
141.05458	8.5
145.06491	7.1
147.04407	84.4
151.03946	1.7
153.05479	21.2
161.05974	6.6
163.03917	17.6
165.01804	1.9
165.05449	34.9
165.06741	1.8
169.05063	1.3
171.04333	3.2
175.04196	1.4
177.05518	2.3
181.04965	24.1
181.06398	3.5
185.06067	1.8
187.03833	2.2
189.05447	7.2
193.04930	11.4
197.05922	1.8
198.06734	1.7
205.04968	3.2
213.09164	9.0
215.03305	1.8
217.04977	8.9
219.02896	2.0
225.05571	1.3
227.07025	11.0
229.04979	5.7
229.08633	1.9
231.06508	8.0
237.03838	2.1
239.07079	2.8
241.08594	24.4
243.06520	7.5
244.06950	1.5
245.08066	65.5
254.05699	3.2
255.06561	2.8
257.04510	5.9
257.07999	10.1
258.05267	26.1
259.06003	28.5
259.09442	11.4
269.08118	22.4
271.05887	10.4
272.73697	1.5
273.07504	1.6
275.05722	2.5
283.06046	3.0
285.07535	2.9
287.05811	5.5
287.09103	89.6
288.06244	31.5
289.07111	2.4
297.07608	1.9
299.05487	18.1
300.06177	1.9
301.07095	5.8
305.10251	2.4
311.05627	1.9
313.07016	3.0
317.06628	5.5
329.06769	1.6
347.08755	1.5
359.09143	6.7
363.08734	5.4
365.06531	2.1
377.10211	16.0
381.09698	6.5
387.08917	2.5
389.10416	2.6
394.10266	1.7
401.10037	2.9
405.09680	36.7
407.07486	9.0
417.09860	10.9
419.11740	9.5
421.08865	2.9
423.10611	35.3
425.12109	1.7
435.10764	22.8
437.12155	1.8
447.10800	7.0
499.13577	1.8
517.14923	5.9
523.14001	6.0
541.14978	16.0
559.16016	36.3
591.14679	2.1
593.51563	1.3
709.19153	12.7
711.20197	1.7
727.20300	5.5
863.25360	3.2
890.19214	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	863.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
75.13833	2.4
80.26227	2.3
87.15060	2.1
91.05470	4.1
95.04956	3.9
107.04951	66.7
119.04939	100.0
119.41956	3.2
121.02864	4.2
123.04446	14.2
125.02344	4.0
141.05444	12.4
145.06464	3.3
147.04405	83.6
153.05470	14.1
161.06041	3.9
163.03954	17.5
165.05513	22.8
179.72473	2.9
181.05029	30.1
181.06487	7.7
213.08980	8.6
217.08691	2.4
227.07048	5.5
229.08577	3.8
241.08568	28.3
245.08092	39.9
255.06493	2.9
257.04224	4.1
257.08115	3.4
258.05200	4.3
259.05957	10.0
259.09653	13.9
269.08069	16.8
271.05969	5.7
285.07718	3.5
287.09097	83.6
288.06287	9.7
297.07532	2.9
301.07132	3.4
311.09174	2.4
377.10233	9.2
405.09567	5.0
417.09799	2.7
421.08975	4.9
423.10654	13.6
435.10956	5.3
437.12350	9.3
559.15912	14.2
573.17249	4.4
586.62531	2.6
632.54724	2.9
727.19794	4.1
738.60522	3.2
878.94147	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	863.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13207	2.8
68.27213	2.9
73.43005	2.9
74.61727	2.8
91.05442	3.4
92.17854	3.7
92.39774	2.9
95.04947	13.4
100.16601	3.2
107.04953	100.0
119.04935	96.7
121.02839	10.3
123.04434	42.8
139.03911	4.6
139.18881	3.0
141.05458	3.4
145.06389	3.6
147.04390	83.9
151.03926	17.0
153.05447	12.6
161.05963	3.3
163.03885	18.9
165.05426	29.1
167.03326	11.8
171.04378	4.2
181.04967	18.0
189.05479	5.0
193.04929	3.4
203.06969	3.5
205.04913	12.1
215.07039	3.6
217.05026	4.9
227.07097	6.6
231.06477	64.9
241.08493	14.8
243.06705	3.8
245.04539	5.1
245.07993	32.7
255.06458	6.7
257.08060	11.4
259.05951	3.9
259.09686	17.1
269.08032	14.6
271.06046	19.1
271.09467	5.9
273.07513	35.6
287.09100	83.8
301.06931	3.4
303.08679	13.9
311.09207	5.8
315.08707	6.3
363.08551	4.0
377.10373	25.5
391.11945	3.8
405.09756	4.2
423.10880	24.6
439.13766	4.7
465.11777	4.9
541.14734	3.6
549.25903	3.1
559.07538	2.9
559.15985	80.2
591.18579	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04511	1.3
78.03492	2.4
79.05489	7.8
80.05043	0.8
91.05466	1.5
92.17838	1.1
94.85526	0.7
95.04987	1.3
97.06527	0.9
103.05447	1.3
105.07041	3.0
106.02923	15.2
107.04955	78.2
109.06523	4.7
111.08111	0.9
113.06020	0.9
121.06487	1.0
123.04466	1.0
124.03951	76.1
125.06003	3.0
129.07024	1.0
131.04906	9.2
133.06502	1.4
134.09639	7.1
139.07549	1.7
143.08583	0.9
145.06517	3.6
149.05971	15.8
151.07646	1.0
155.08649	2.9
157.10147	1.2
159.08083	3.0
167.08598	1.0
169.06512	0.8
169.10115	1.1
175.07724	1.1
179.08543	0.9
181.08636	3.0
181.10130	1.6
183.08064	1.7
185.09634	1.4
193.10138	3.1
194.11774	59.8
195.11751	4.0
197.09624	1.0
199.11111	1.1
204.09579	0.7
207.11632	1.0
209.09624	1.3
209.13232	1.9
211.11224	1.4
213.12735	1.1
217.10179	0.9
218.11000	1.0
219.11700	1.2
221.09689	3.3
221.13150	0.8
223.11252	3.7
225.09192	0.9
225.12772	1.2
233.13318	0.9
235.11218	3.7
237.12836	3.9
239.10663	1.2
241.12225	1.0
247.11275	1.4
249.12755	1.5
253.12535	1.0
255.13933	1.4
261.12820	1.6
265.12326	3.2
279.13766	1.5
283.13400	1.2
295.13419	1.7
297.14862	1.2
307.13327	3.2
325.10831	0.8
325.14383	4.9
375.57751	0.8
403.40833	0.8
406.49435	0.8
445.18707	0.9
458.09534	0.7
522.47198	0.8
550.20868	3.0
568.21924	10.0
610.22137	1.5
628.24146	3.8
670.25488	1.6
863.35864	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	863.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72421	0.9
72.04527	2.0
78.03436	4.3
79.05481	8.6
79.38031	1.2
80.05024	1.2
92.17816	1.8
103.05461	2.0
105.07027	1.9
106.02912	17.7
107.04948	81.9
109.06544	4.2
113.05969	2.1
119.04951	2.0
123.04402	4.1
124.03944	69.6
125.05975	1.7
129.06993	1.5
131.04933	9.0
134.09605	7.8
139.07518	4.1
143.08620	3.5
145.06471	3.7
147.04420	2.3
149.05984	17.9
155.08440	1.0
159.08047	1.8
167.08577	1.5
169.06602	1.3
176.29182	1.0
181.08630	1.9
181.10101	1.8
183.08072	2.0
193.10168	1.6
194.11757	60.9
195.11685	4.0
196.42723	1.0
197.09619	1.6
199.11156	1.1
204.09413	1.3
207.11703	1.7
209.09605	1.3
219.11757	2.2
221.09747	1.5
221.13203	1.3
223.11229	4.3
225.12704	1.3
233.13148	1.9
235.11276	1.9
237.12778	5.3
242.53511	1.2
253.12274	1.5
265.12262	2.2
279.14001	2.5
293.83102	1.0
297.15070	1.3
307.13251	2.1
325.14383	4.6
381.09158	1.0
554.59271	1.2
568.21692	9.8
628.24640	2.0
863.35883	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	864.38
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77295	0.6
63.22462	0.6
65.05488	0.8
66.81149	0.7
85.39897	0.9
91.05479	81.5
93.07031	1.4
96.42364	0.7
103.05455	3.2
105.03395	12.2
105.07022	4.4
107.04925	1.0
107.08583	1.4
112.12729	0.9
117.05452	1.0
119.04929	16.6
119.05706	0.9
119.08583	1.6
121.06470	1.0
131.08574	4.4
133.06509	6.6
134.09653	31.9
145.06552	0.9
147.04427	1.4
154.10350	0.8
155.08517	2.9
159.07980	2.6
165.06999	1.1
167.08543	3.4
169.10086	1.8
173.09758	0.9
179.08554	5.3
180.09375	3.1
181.10129	4.9
183.11678	0.9
192.09358	1.3
193.10124	3.9
194.10840	6.5
195.08058	1.4
195.11748	3.8
204.09369	4.4
205.10191	0.9
205.11960	0.8
206.10977	1.5
207.08041	1.1
207.11732	3.9
209.09695	1.5
209.13225	11.9
210.11253	100.0
211.11166	1.4
217.10159	1.0
219.11615	6.9
220.08772	0.9
221.09694	1.3
221.13251	3.2
222.10333	8.5
223.11160	1.5
225.12709	1.5
227.14442	1.0
232.12483	1.5
233.13213	1.1
235.11186	1.2
236.11882	1.0
237.12737	24.0
239.14287	1.5
247.14798	1.2
249.12642	1.3
251.14246	1.5
253.12379	1.3
255.13800	3.7
260.11993	1.9
265.15842	1.3
275.14224	4.4
293.15369	3.2
297.14844	24.3
311.16351	1.2
315.15994	1.3
357.16788	1.3
395.18491	1.0
488.24353	3.2
506.25488	4.9
548.26379	7.4
566.27753	7.3
610.28461	1.4
664.30817	1.5
670.30615	6.6
682.32703	1.4
688.31006	13.4
804.35846	6.4
864.36456	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	864.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03401	1.0
91.05476	55.9
92.18564	1.5
95.04943	1.9
103.05444	1.4
105.03389	29.1
105.04459	1.0
105.07061	1.4
106.28233	0.8
107.04948	3.7
119.04933	19.4
121.02853	1.1
134.09648	100.0
147.04407	14.6
155.08571	1.0
163.50468	0.8
164.10809	1.2
165.06976	1.3
167.08557	5.4
169.10088	1.9
176.05423	0.8
179.08504	7.5
180.09213	3.0
181.10092	5.2
186.58893	0.8
191.08510	1.7
192.09372	3.3
193.10069	6.7
194.10960	3.8
195.11617	6.7
197.40793	0.8
204.09332	5.8
205.10019	0.9
206.10898	4.9
207.11716	5.1
209.09633	1.2
209.13226	14.5
210.11241	66.0
211.11229	1.8
217.70000	0.8
219.11684	12.3
221.13206	12.3
222.10396	4.8
225.12776	1.3
235.11165	4.4
237.12758	14.9
239.14301	1.8
240.48282	1.0
245.12988	0.8
252.12253	10.5
253.12138	1.4
255.13823	1.3
279.13788	0.9
281.15308	1.3
293.15460	1.2
297.14813	6.7
488.24057	5.2
548.26495	22.4
608.06738	0.8
608.28656	1.1
610.27545	5.9
628.28174	1.0
670.29926	21.0
686.30023	1.3
804.35596	6.5
864.34528	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	864.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47190	0.6
72.04520	1.0
79.05489	0.9
91.05479	66.2
95.04972	4.4
103.05454	1.5
105.03400	28.5
105.04493	0.8
105.07012	1.3
107.04944	1.5
119.04939	20.1
129.06985	1.4
131.04929	0.8
133.06526	0.7
134.09653	100.0
141.81612	0.6
143.08597	0.9
147.04413	14.9
147.08020	0.6
148.11214	0.7
155.08530	2.7
164.10739	0.9
165.06967	1.2
167.08565	5.8
169.10100	2.8
179.08536	7.1
180.09367	3.9
181.10092	5.9
183.11720	0.7
189.05452	0.9
189.07005	0.9
191.08566	1.4
192.09177	5.0
193.10155	4.0
194.10716	4.8
195.11670	6.1
197.13155	0.8
204.09294	6.8
205.10002	0.9
206.10902	6.8
207.11707	6.3
208.09718	1.3
208.12479	0.7
209.13260	10.0
210.11252	69.4
211.11142	2.5
217.10139	1.5
219.11673	11.9
220.08817	1.1
221.09724	1.0
221.13258	10.9
222.10464	4.4
225.12648	1.3
230.10936	0.8
235.11218	2.9
236.11954	0.7
237.12709	13.5
239.14284	4.2
245.13362	1.0
252.12302	11.1
253.12311	2.3
263.14401	1.3
279.13754	3.0
281.15353	1.2
293.15414	0.9
296.01624	0.8
297.14929	6.0
306.47131	0.7
341.15436	2.9
359.16428	1.1
396.95612	0.8
421.88864	0.7
488.24310	6.0
548.26459	19.2
564.25806	1.0
610.27954	8.6
622.30591	0.9
670.30066	21.2
682.32141	1.0
804.35547	5.3
864.36859	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	864.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18391	1.8
60.25955	1.6
68.49229	1.7
81.03398	2.0
91.05477	100.0
95.04980	2.3
105.03386	47.8
105.07032	2.0
110.87746	2.0
117.81689	1.9
119.04945	24.7
134.09644	84.5
137.87791	1.9
147.04396	4.8
166.86499	2.7
167.08516	10.8
169.10155	8.2
179.08542	15.0
180.09380	2.4
181.10124	7.9
189.06883	2.1
191.08649	2.6
192.09206	3.5
193.10124	3.5
194.10966	10.1
195.11691	5.0
197.09677	2.2
201.01407	2.0
203.08522	2.8
204.09323	10.4
206.10887	7.9
207.11667	4.6
209.13260	21.4
210.11238	86.8
211.11153	2.9
219.11722	19.4
221.13280	21.8
222.10461	3.8
235.11118	3.9
237.12755	23.0
239.14255	3.1
251.14517	2.0
252.12242	4.5
276.60980	2.0
297.14819	4.1
341.15283	3.9
488.24066	12.4
539.29492	2.4
548.26501	33.4
610.27820	13.7
670.29956	40.2
708.97894	2.2
804.37152	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	866.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45083	1.8
67.05503	10.7
69.07063	4.1
69.71973	2.5
71.08613	13.2
73.41090	2.2
73.94556	2.1
75.20020	2.2
76.11430	2.3
79.05467	3.6
81.07050	21.5
83.08610	5.1
85.10168	4.3
93.07038	13.3
95.08595	12.6
95.45664	2.3
96.60727	2.7
98.27699	2.1
100.33321	2.0
107.08585	5.3
109.10117	3.5
111.70061	2.4
121.10149	4.1
135.11653	3.0
139.41818	2.1
149.13255	11.0
154.35619	2.0
159.11719	2.7
176.17165	2.1
181.93527	2.5
269.17419	15.0
296.04877	2.1
313.27368	24.4
329.08310	2.8
507.40399	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	866.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.0
67.05505	28.1
69.07070	10.8
69.28058	1.6
71.08629	17.8
75.76619	1.7
79.05477	11.5
81.07063	43.6
83.04981	2.9
83.08630	15.2
85.02918	3.6
85.10159	12.2
91.03946	6.9
91.05454	3.1
93.07040	28.9
95.08614	22.7
97.02895	2.2
97.06533	7.2
99.08083	3.2
107.08604	21.8
109.10133	8.5
111.08102	7.3
111.35843	1.6
121.10125	19.5
123.11687	2.2
131.08498	5.7
135.11656	2.9
149.13254	34.7
159.11713	9.5
177.12772	3.4
184.78384	1.6
189.48918	1.8
195.13786	3.3
198.87906	2.1
269.17484	57.6
313.27386	41.3
420.66690	1.9
507.40491	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	867.2121
Annotation	Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Peak:m/z	Relative Intensity
60.97062	1.4
62.01851	1.5
74.24922	1.7
98.46101	2.2
110.14664	1.7
111.04393	2.5
113.18216	1.9
123.04410	41.3
127.03903	100.0
127.04844	3.3
135.04414	45.3
137.02316	7.4
139.03893	48.9
147.04379	3.3
149.02321	3.7
151.03822	13.5
159.04347	1.7
163.03879	62.1
165.05437	7.0
167.03459	3.3
173.06038	3.1
177.05370	3.7
179.03380	9.8
187.03900	4.2
189.05426	2.5
191.03328	8.3
201.05510	7.6
203.03419	11.0
205.04832	3.5
215.07008	3.3
225.05406	2.1
229.04932	8.3
231.06523	3.6
233.04385	10.1
241.05011	2.6
243.06546	9.4
245.04437	40.9
247.05971	49.6
251.05397	2.1
255.06610	2.8
257.04425	21.6
259.05969	12.0
259.98123	1.7
269.04364	7.0
271.06049	24.1
275.05457	12.5
283.05957	14.4
287.05438	26.0
289.07019	27.8
291.08658	13.3
295.06033	2.0
299.05426	7.0
301.07138	7.2
302.45026	2.0
303.08746	3.3
309.03986	2.5
323.05383	3.6
351.05026	11.1
365.06589	2.9
379.08054	2.9
383.07660	2.9
391.07776	2.9
393.05908	13.5
395.07526	6.2
397.09167	2.6
405.05911	7.5
407.07681	7.7
409.08905	18.7
411.10992	3.9
421.08981	2.1
425.08768	11.0
427.10303	17.3
437.08887	2.1
439.10120	3.0
451.10199	2.4
453.11209	2.0
517.11243	6.9
520.18494	2.1
535.11951	6.8
545.10565	3.3
559.12311	3.3
577.13422	11.6
579.15027	47.5
589.13330	3.6
697.15253	10.8
715.16553	10.4
867.21307	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	867.213
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
60.01323	1.0
63.48073	1.1
65.80392	1.0
66.66909	1.1
73.47113	1.0
78.19759	1.1
91.73438	1.2
93.03400	2.0
111.00809	2.5
111.04443	6.2
123.03569	2.3
123.04425	54.4
125.00687	1.2
127.03911	100.0
135.04411	48.2
137.02327	4.6
139.03902	51.5
147.04425	2.5
149.02332	7.6
151.03908	15.1
161.06024	2.4
163.03891	61.3
163.05263	2.0
165.05414	2.4
167.03401	6.5
169.04970	2.3
173.05960	2.7
177.05411	8.7
179.03389	6.0
187.03891	6.2
189.05441	1.7
191.03401	13.0
197.06081	1.4
201.05499	8.8
203.03378	9.6
203.07018	2.0
205.04987	5.0
212.67143	1.2
215.03400	2.4
215.07071	1.8
223.02513	1.8
229.05028	10.2
231.06599	1.4
233.04446	7.9
241.04886	1.4
243.06537	7.8
245.04427	82.6
247.05988	60.9
253.05051	2.2
255.06511	2.7
257.04410	20.6
259.06076	12.0
269.04437	7.4
271.05978	29.6
274.04718	6.1
275.05518	21.7
283.05963	15.3
285.03903	1.9
287.05420	25.8
289.07010	27.8
291.08615	15.4
295.06226	1.9
297.04050	1.5
299.05405	8.7
301.07028	9.0
311.05576	2.1
313.07080	1.9
323.05573	1.9
351.04916	5.9
363.08804	1.8
379.08072	5.0
389.06531	1.9
391.08084	2.6
393.06058	6.4
397.09125	10.1
405.05954	10.2
407.07507	14.7
409.09213	17.4
411.10928	2.6
419.07495	1.6
421.08994	1.4
425.08646	21.7
427.10193	14.4
433.08838	2.0
435.10907	1.5
437.08865	9.0
449.08780	1.4
451.10376	8.6
453.11758	2.1
517.11395	2.3
535.12042	5.9
541.11035	1.6
545.10541	1.8
559.12341	11.5
571.11932	1.6
577.13519	24.9
579.14978	42.5
589.12720	1.7
620.54327	1.2
621.15662	2.0
697.15338	9.5
699.17053	2.2
715.16278	12.0
833.98608	1.3
867.20825	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	867.2128
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
67.87599	1.0
68.83527	1.2
68.99791	1.5
93.03378	1.3
107.04961	2.0
111.00789	2.4
111.04438	7.5
123.04417	54.9
127.03902	100.0
135.04402	48.4
137.02316	5.2
139.03889	63.2
147.04385	4.2
149.02347	5.8
151.03873	18.2
153.01906	1.0
159.04364	1.5
161.05977	2.4
162.81392	1.2
163.03883	60.3
165.05457	5.5
167.03404	4.5
169.04961	2.0
173.06021	1.0
175.03815	1.2
177.05457	6.4
179.03386	9.5
187.03842	8.7
189.05443	1.8
191.03340	7.6
197.05957	1.7
201.05438	6.8
203.03362	9.4
203.07092	1.4
205.05013	4.8
213.05412	1.3
215.03482	1.2
215.07071	2.4
229.04932	8.2
231.06552	2.1
233.04431	6.6
241.04929	1.6
243.06483	8.4
245.04422	56.5
247.05989	50.3
248.41200	1.1
253.05014	1.4
255.06679	3.7
257.04440	16.2
259.05939	12.7
269.04422	4.4
271.05954	26.7
274.04706	1.8
275.05463	14.7
283.06009	15.4
287.05511	25.7
289.07019	25.8
291.08582	15.4
299.05377	9.6
301.07150	7.9
303.08582	1.3
309.03778	1.5
311.05450	1.6
313.07181	1.3
323.05380	3.8
331.08069	1.4
351.04932	4.9
361.06827	1.8
365.06329	1.3
377.06601	2.2
379.07996	4.1
389.06458	2.4
393.06247	7.2
397.09250	7.4
405.05814	8.9
407.07510	12.0
409.09103	22.6
411.10358	1.5
419.07620	2.3
425.08719	13.4
427.10175	18.2
433.09042	2.1
437.08655	6.6
439.10333	1.3
451.10074	5.2
517.10724	1.3
527.09625	2.0
535.12378	4.5
545.10828	4.4
559.12366	4.5
577.13251	21.6
579.06146	2.3
579.14899	43.9
679.14307	1.4
697.15601	6.2
698.96869	1.2
699.17346	4.4
715.16174	6.5
867.21014	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	867.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91294	1.1
64.93253	1.2
76.30323	1.0
78.42606	1.0
123.04432	4.4
160.03351	1.3
163.03955	1.2
167.10498	1.4
245.04454	2.4
247.06004	2.8
289.06973	1.9
313.16254	1.4
333.07889	27.0
335.09406	1.6
369.77084	1.4
383.16821	1.5
418.89362	1.2
445.20416	100.0
595.03107	1.3
846.68243	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	868.354
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55726	1.5
62.83937	1.5
79.05505	1.9
91.05479	14.7
92.37550	1.7
93.07028	2.4
95.04949	8.4
95.08607	2.7
105.03396	100.0
105.07034	7.4
107.04996	1.8
107.08583	2.0
119.04943	7.2
119.08578	8.0
120.08128	2.0
121.06449	2.1
121.10114	2.0
123.08059	1.7
125.00811	1.5
125.17400	1.5
132.08083	9.8
133.06502	2.7
133.10127	2.8
136.07581	81.8
146.07359	1.7
147.04443	1.6
149.06035	2.1
149.09683	1.6
157.10094	2.8
161.09566	2.5
165.97055	1.7
169.10118	6.2
171.11600	1.7
182.74803	1.6
183.11697	2.1
197.09666	1.8
197.13319	2.4
206.10988	2.2
209.13255	2.3
211.11189	2.2
221.13129	2.1
222.10287	1.8
223.11247	1.8
225.12807	2.4
237.12816	3.4
239.14259	3.0
254.11674	3.8
263.14130	2.6
267.13858	1.7
281.15417	3.1
282.11221	11.4
298.26392	1.8
300.12192	20.8
309.14914	5.6
327.15756	6.2
387.17792	3.0
447.20038	1.6
498.92896	2.0
509.21869	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	868.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67464	0.4
67.05502	0.5
77.03930	1.0
79.05482	2.3
81.07086	0.5
83.04974	0.9
88.50307	0.5
91.05478	3.7
93.07023	2.6
95.04968	8.1
95.08608	1.0
103.05493	0.5
105.03394	100.0
105.04527	3.4
105.07014	7.4
107.04955	1.1
107.08588	2.5
109.06573	0.6
117.07022	0.8
119.04889	1.0
119.08603	3.4
120.08096	21.8
121.06459	3.3
121.10161	2.2
123.08054	2.2
128.06226	0.4
129.07018	0.6
131.08588	1.0
132.08099	3.2
133.06496	4.3
133.07353	0.5
133.10136	2.6
134.09637	0.9
135.08073	1.0
136.07576	7.7
143.08572	2.4
145.10130	1.1
147.08064	2.0
149.05974	1.9
149.09621	2.4
150.09160	0.8
151.07559	0.7
156.09450	0.5
157.10101	1.0
159.08006	2.0
161.05966	0.6
161.09645	2.3
164.39024	0.5
167.08533	0.8
169.10156	2.0
171.08054	0.8
171.11742	0.5
173.09665	2.3
179.08572	0.7
181.10101	1.1
183.11703	2.8
185.09669	1.9
185.13264	0.7
189.09074	0.8
193.10121	1.1
194.10872	0.6
195.11681	2.4
197.09624	1.1
197.13258	0.6
199.11165	0.8
206.10889	2.6
207.11732	1.8
209.09627	0.8
209.13264	1.1
210.10399	0.6
211.11174	1.0
211.14856	0.8
213.12773	0.9
219.11855	0.7
220.12534	2.6
221.13245	2.3
222.10336	0.6
223.11249	1.8
223.14787	0.9
224.11903	1.1
225.12737	1.0
227.14267	0.7
234.10448	0.8
235.14919	0.9
236.12173	0.7
237.12769	2.2
239.14346	2.2
241.12228	0.5
248.12007	2.0
249.12801	1.0
251.14232	1.0
253.15866	0.8
255.13922	0.6
263.14337	2.1
266.13184	0.5
267.13986	0.7
281.15396	3.4
291.13803	1.8
299.16373	2.1
300.12283	41.7
309.14905	3.2
327.15884	5.6
345.17142	1.1
387.18036	1.1
437.89297	0.5
509.21707	14.6
569.23547	1.0
761.11761	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	868.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20594	1.0
69.60163	1.3
72.04490	1.7
83.04968	11.4
89.03862	1.1
91.05462	12.6
105.03398	1.3
107.04950	1.9
107.08574	1.5
119.04934	59.1
129.06976	1.3
133.06448	1.7
134.09656	69.5
134.51401	1.2
143.08553	1.8
145.06467	1.6
147.04404	100.0
157.92932	1.3
165.05504	2.8
165.06856	1.3
167.08583	4.6
179.08556	5.6
181.10049	1.8
189.05478	4.7
191.08394	1.6
192.10350	1.3
193.10143	2.9
194.10881	1.8
195.11740	1.8
204.09308	6.0
206.10902	2.8
207.11635	2.8
209.13277	14.8
210.11241	1.6
211.14645	1.3
219.11688	13.9
221.09764	1.4
221.13210	9.1
222.10271	1.8
237.12726	23.2
239.14215	2.7
252.12282	50.3
277.15802	1.6
279.13837	1.4
297.14832	10.5
298.49380	1.2
319.16895	2.3
339.15836	1.4
341.17352	1.3
530.25574	9.0
530.32581	1.3
548.26666	8.1
590.27490	21.9
624.75830	1.2
630.30585	16.3
650.29187	2.6
690.32898	12.3
868.40765	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	870.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11988	0.4
61.65846	0.4
70.55505	0.3
72.04522	0.5
79.05482	1.4
81.07044	0.4
83.04971	0.5
91.05464	2.6
93.07086	0.4
95.04914	0.5
95.08688	0.5
98.96092	0.5
105.04492	0.4
105.07019	2.0
107.04937	0.4
107.08582	1.7
111.04433	0.5
119.04925	4.5
119.08582	2.0
121.06504	0.8
123.08045	0.8
131.08580	0.7
133.06497	0.8
133.10103	0.6
134.09650	100.0
135.08046	0.9
137.09634	0.5
143.08577	0.5
145.10101	0.6
147.04402	6.8
147.08064	0.8
149.09630	0.9
155.08414	0.4
157.10175	0.5
158.65701	0.5
159.08011	0.8
161.09615	0.6
163.07477	0.5
169.10164	0.5
171.08075	0.5
171.11703	1.6
173.09631	0.8
181.10100	0.6
183.11678	0.5
186.89586	0.4
187.11079	0.5
189.05437	0.4
193.10118	0.4
194.21375	0.4
194.53711	0.4
197.09605	1.4
197.13315	0.4
199.11238	1.6
203.10614	0.5
205.12283	0.6
207.11659	0.9
209.09633	0.4
209.13271	0.8
211.11021	1.2
213.12723	0.5
215.10817	0.5
217.12210	0.7
219.11707	0.4
220.12398	0.4
225.12761	1.5
226.55232	0.4
227.14432	0.4
234.14085	0.4
235.11209	0.4
237.12605	0.4
238.13646	0.5
239.17987	0.4
247.10992	0.4
249.16370	0.8
252.12325	4.5
267.17450	0.9
277.15894	2.0
294.13483	0.6
295.16922	4.9
313.18002	4.3
337.18048	0.9
355.19006	8.2
355.22986	0.4
373.20380	0.5
397.20294	2.7
409.09375	0.4
415.21234	4.0
457.21869	1.5
622.53607	0.4
666.33075	2.8
708.33954	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	870.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82285	0.3
66.83698	0.3
67.05503	0.3
69.24135	0.3
70.04842	0.3
79.05486	1.6
81.07063	0.4
83.04974	1.1
84.11220	0.2
91.05495	2.4
93.07034	0.4
95.04939	0.4
95.08617	0.4
97.06505	0.4
105.07035	1.5
107.04964	1.1
107.08595	0.5
109.06511	0.3
109.10185	0.4
111.04414	0.4
117.06989	0.4
118.06567	0.3
119.04958	3.2
119.08547	2.0
121.06511	0.7
121.10168	0.6
123.08089	0.5
129.06990	0.3
131.08521	0.5
133.10114	1.1
134.09654	100.0
135.04419	1.1
135.08066	1.3
137.09592	0.6
143.08517	0.6
145.10085	0.4
147.04414	6.3
147.08102	0.4
149.09641	1.3
151.11206	0.5
153.05496	0.4
156.09389	0.4
157.10120	1.4
159.08066	0.6
159.11725	0.6
161.09621	0.5
161.13219	0.3
169.10146	0.7
171.08089	0.4
171.11664	1.2
173.09669	0.6
173.13271	0.3
175.07564	0.4
175.11234	0.4
177.09067	0.5
177.12804	0.4
181.10149	0.6
183.11653	0.4
185.09607	1.0
187.11174	0.4
189.05464	0.4
189.09145	0.6
191.10693	0.3
193.10143	0.4
195.11681	0.4
197.13327	0.6
199.11176	1.2
201.12833	0.3
203.10641	0.3
205.12204	0.3
207.11732	1.2
211.11205	1.4
211.14732	0.3
213.12671	0.4
217.12239	0.4
219.11685	0.4
220.12529	0.5
223.11171	0.4
223.14967	0.4
225.12703	1.2
225.16441	0.4
234.14047	0.5
237.12738	0.5
244.12442	0.4
247.11140	0.4
248.11946	0.3
249.16383	1.4
251.14348	0.4
252.12299	6.3
252.14822	0.4
260.09451	0.3
262.13583	0.6
267.17484	1.3
277.15808	2.1
294.13290	0.5
295.16885	4.1
313.17975	5.1
337.18011	1.0
355.19016	7.3
373.19867	0.6
397.20111	1.8
415.21106	3.4
457.22073	1.9
648.31921	0.5
666.32977	2.0
708.33484	2.3
768.33759	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	870.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69145	0.5
72.04544	0.6
79.05492	1.9
81.07057	0.5
90.05597	0.4
91.05470	3.2
93.07074	0.6
95.04961	0.5
96.67709	0.5
97.06499	0.7
97.55187	0.6
105.07031	1.0
107.04995	0.7
107.08554	0.8
109.60956	0.5
111.04431	0.6
119.04919	3.7
119.08583	1.0
121.06486	0.5
121.10120	0.6
121.57474	0.5
125.05991	0.5
132.57237	0.5
133.10127	1.0
134.09653	100.0
135.08005	0.7
137.09637	1.0
143.08585	0.6
145.10161	0.6
147.04404	8.1
149.09590	1.0
151.07503	0.5
161.09669	0.6
169.10179	0.5
171.08008	0.5
173.09648	0.5
175.11162	0.8
183.11742	0.8
187.11177	0.6
193.10184	0.6
197.09624	0.6
197.13318	0.7
199.11104	0.8
207.11705	0.6
209.13289	0.6
211.11151	0.9
217.12408	0.6
234.14125	0.9
235.11209	0.6
237.12970	0.7
252.12314	5.7
262.13470	0.9
267.17404	0.9
277.15851	1.9
285.18365	0.6
295.16901	3.4
313.18011	5.1
335.72000	0.5
337.18195	0.5
355.19006	6.3
373.19968	0.6
397.20041	2.6
399.13611	0.5
415.20914	3.5
457.22250	0.7
647.85840	0.5
666.32703	0.9
708.33929	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	870.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49104	0.6
65.95544	0.6
67.05493	0.6
79.05476	0.8
81.07053	0.6
81.87102	0.6
82.58526	0.5
82.86880	0.6
83.04932	0.6
91.05468	9.0
95.04942	0.6
105.07014	1.2
107.08668	0.8
111.04433	0.7
119.04931	48.5
121.10152	0.8
123.08153	0.6
133.06497	1.5
134.09648	100.0
135.07986	0.8
143.08542	0.9
147.04401	79.9
148.11104	0.7
151.95665	0.6
155.08653	0.7
159.07974	0.6
165.05489	4.0
165.06912	0.9
167.08615	1.6
169.10155	2.7
178.07768	1.0
178.58478	0.6
179.08542	3.8
180.09328	2.6
181.10101	2.5
183.11633	0.7
189.05437	6.0
192.10039	0.7
193.10144	3.9
194.10892	3.6
195.11685	4.5
197.09503	0.7
197.13141	0.8
203.08615	1.1
204.09329	4.2
206.10927	2.9
207.06561	2.3
207.11703	4.1
209.13245	9.5
210.11232	2.5
211.11188	1.3
213.12776	0.7
219.11719	7.8
221.13278	6.6
222.10410	2.6
234.14037	0.9
237.12698	17.8
239.14230	1.4
244.12561	0.9
249.16592	0.9
250.10596	1.0
252.12283	46.2
255.13722	1.3
267.17407	1.2
277.15842	3.4
279.13867	2.2
281.15466	1.1
294.13168	2.2
295.16910	4.2
297.14828	6.0
313.17920	3.0
321.18527	0.9
355.19104	3.8
397.19867	1.3
415.20743	0.9
457.22272	1.2
530.25391	6.0
548.26367	5.7
590.27490	16.3
632.32104	7.8
650.29248	1.1
692.34265	17.9
708.33844	0.7
755.08264	0.7
762.47229	0.7
780.00684	0.8
792.73169	0.8
834.35901	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	872.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24801	0.7
69.03427	0.9
70.60516	0.7
77.03909	1.1
79.05504	2.0
91.05464	13.7
92.87938	0.8
93.07042	5.0
95.04976	7.7
95.08606	1.4
105.03398	100.0
105.07040	14.6
107.04954	1.5
107.08588	8.0
109.06511	1.5
117.07009	0.9
118.06573	1.7
119.04935	4.1
119.08584	10.4
121.06493	10.1
121.10145	9.8
122.06026	31.5
123.08082	1.6
131.08549	3.9
133.06516	9.3
133.10158	7.0
135.08041	8.7
136.07579	1.0
137.05957	1.1
143.08565	1.5
145.06487	3.2
145.10211	1.2
147.08076	7.2
149.06015	6.1
149.09612	13.7
151.11250	0.8
155.08531	1.0
157.10089	1.9
159.08035	7.9
161.05965	1.9
161.09653	3.4
171.07999	0.9
173.09634	0.9
175.07539	1.6
177.09106	8.5
183.11647	1.5
193.10120	1.7
195.11671	1.3
197.09686	1.2
197.13315	1.2
209.09686	1.8
209.13210	1.0
211.11205	3.4
211.14883	1.4
220.12465	1.2
221.13130	1.2
223.11234	1.3
225.12770	1.0
233.09636	0.9
240.10249	1.4
245.13345	1.6
248.11876	1.5
253.15880	0.9
263.14224	3.0
267.13766	1.5
281.15384	1.5
286.10733	29.9
291.13824	3.3
299.16367	1.3
309.15036	5.9
327.15976	5.1
387.17984	3.5
423.74426	0.9
449.19724	3.7
491.20746	8.2
509.21585	16.2
551.22876	6.0
569.23755	5.1
730.17682	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	874.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.99950	1.0
76.47738	1.1
91.05479	86.2
101.84391	1.1
103.05462	17.2
104.57287	1.2
105.06966	2.5
119.04932	29.4
129.06981	1.5
131.04919	57.4
133.06462	1.3
134.09648	100.0
143.08533	1.6
147.04395	16.4
150.82291	1.2
152.72649	1.2
155.08524	1.8
163.42697	1.2
165.06934	2.5
167.08557	7.6
168.90877	1.4
169.10181	5.6
178.07719	2.1
179.08569	16.4
180.09331	5.7
181.10143	6.3
183.11687	1.8
191.08499	2.0
192.09372	2.7
193.10178	9.5
194.10901	11.1
195.11703	7.3
203.08606	2.0
204.09253	9.1
206.10846	13.6
207.11742	7.4
208.09686	3.0
209.09525	1.6
209.13208	27.3
210.11238	86.2
211.11235	2.6
219.11653	20.5
221.13237	24.2
222.10454	5.4
235.11182	2.9
237.12715	42.6
239.14299	4.5
252.12228	12.5
255.13873	1.6
277.15802	1.5
279.13742	5.2
281.15430	1.7
295.16846	2.3
297.14941	13.1
367.16898	2.1
488.24396	13.0
506.25156	2.4
548.26440	61.4
608.28198	7.2
617.07043	1.4
636.29578	16.5
696.31586	40.9
713.95880	1.6
804.45428	1.6
869.35095	1.7
874.38330	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	874.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76436	1.4
81.03394	1.8
91.05474	100.0
91.53693	1.6
93.07001	1.8
103.05456	13.7
104.02441	1.9
118.90370	1.6
119.04941	21.5
128.07407	1.9
131.04927	42.0
134.09647	72.7
147.04460	10.9
155.08589	2.2
165.06979	3.0
167.08517	3.9
169.10141	2.2
179.08545	11.8
180.09319	3.9
181.10100	6.8
191.08484	2.3
192.09418	2.6
193.10098	8.8
194.10944	8.0
195.11751	6.4
204.09328	14.0
206.10884	10.5
207.11700	8.3
209.13266	19.2
210.11241	86.9
211.11174	2.3
219.11662	18.4
221.13237	24.5
222.10159	5.5
235.11154	2.2
237.12695	40.3
239.14287	3.5
249.16145	1.8
251.14108	2.3
252.12157	2.0
268.50092	1.8
276.99741	1.8
277.15976	2.2
278.53003	1.8
279.13849	3.0
297.14853	11.2
327.10330	1.8
488.24429	9.3
548.26361	53.0
608.28375	8.9
636.29401	14.2
696.31561	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	875.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94005	0.7
81.88046	0.8
91.05462	4.3
95.04953	3.6
107.04951	57.6
107.05692	1.8
111.04407	1.2
119.04938	81.2
121.02862	4.5
123.04482	6.6
125.02356	1.8
133.06436	3.4
135.04391	1.6
137.02272	1.0
137.06010	6.9
139.03899	1.0
141.05450	11.1
145.06519	3.0
146.59230	0.8
147.04405	60.5
151.03877	1.2
153.05450	11.3
157.06494	1.3
161.05981	3.9
163.03876	19.9
165.05470	19.6
171.04408	4.5
181.04965	30.6
181.06425	3.5
182.07317	1.2
189.05498	1.8
193.04953	4.9
198.06790	1.0
209.05951	1.5
210.06686	1.2
211.07533	1.3
213.09062	7.3
217.04945	4.0
226.06143	1.4
227.07060	6.9
229.08611	3.0
231.06485	3.5
237.05533	1.9
239.06927	1.1
241.08586	17.6
242.05801	0.9
243.06564	5.6
245.08078	16.0
251.07001	1.1
255.06305	0.8
257.08060	3.6
258.05316	4.0
259.03378	0.7
259.05927	6.4
259.09573	9.0
267.06406	1.0
269.08054	19.1
271.06033	4.4
285.07550	1.5
287.09122	100.0
288.06262	4.2
299.05447	3.8
301.06882	1.1
303.04987	0.8
311.05551	1.0
315.04874	5.4
317.06555	16.1
329.06522	4.6
335.09134	1.1
359.07730	0.8
363.08588	1.3
377.10065	4.2
381.09348	1.1
391.07983	1.3
393.09967	0.9
405.09897	5.6
419.11212	1.7
421.09335	3.3
423.10721	4.3
435.10611	3.8
473.04971	4.9
481.11307	0.9
499.13782	1.3
517.14752	1.2
541.14716	1.3
559.15723	5.8
583.08563	1.0
589.13226	3.6
623.55005	1.0
721.14948	4.5
739.16040	4.7
875.21271	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	876.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03398	1.3
79.05487	1.8
80.52707	1.2
81.07071	2.1
85.16364	1.3
85.22991	1.4
91.05479	2.7
92.17809	2.5
93.07038	5.1
95.04962	3.2
95.08591	1.7
100.02744	1.5
105.03400	34.9
105.04466	1.5
105.07044	5.5
107.08580	1.5
109.07323	1.5
119.08575	6.0
121.06431	1.9
121.10134	1.9
124.71677	1.4
127.91698	1.3
133.06509	2.2
133.10146	1.6
135.08043	2.4
135.31615	1.3
144.04192	2.5
145.10115	1.7
159.08040	2.4
161.09619	2.0
169.10185	1.8
171.08167	1.3
174.31303	1.5
183.11722	1.8
185.09650	1.4
193.10211	1.5
197.09676	3.0
209.13216	1.9
211.11264	2.0
213.12865	1.9
220.12657	2.0
223.11052	1.8
237.12796	1.9
251.13779	1.4
293.72369	1.4
308.08926	100.0
377.29507	1.5
509.21536	2.3
531.19904	30.9
591.21997	55.0
662.84698	1.7
663.10443	1.7
795.73267	1.6
876.32019	46.1
882.25848	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	876.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38002	2.7
85.06538	100.0
91.05478	29.7
91.05944	2.9
93.07021	5.0
95.04980	6.4
105.03383	79.6
105.07019	6.8
106.06530	6.9
107.08585	6.1
118.06544	6.0
119.04946	4.2
121.06469	5.2
121.10162	5.2
123.08035	4.2
133.06427	7.2
136.07571	31.9
144.10213	13.3
149.05937	5.1
149.09659	5.4
161.09596	3.8
176.50912	3.3
182.08105	13.8
183.11644	3.4
193.10130	4.5
195.11656	5.1
199.11119	3.5
206.10869	6.4
211.11192	3.5
223.11154	3.3
235.11449	3.2
235.23402	3.6
239.14331	6.7
248.12029	4.4
248.58362	3.1
262.14362	34.8
263.14404	5.3
281.15140	4.2
290.13797	6.7
308.14935	65.7
309.14774	12.2
327.15829	16.4
509.21542	14.2
569.24359	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	876.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
75.53733	4.9
78.88239	5.1
79.29656	5.3
84.66707	4.8
85.10164	9.9
91.05474	44.4
93.07027	6.0
95.04954	10.2
95.08612	5.1
98.90103	5.0
105.03396	100.0
105.07035	5.9
119.04926	9.9
119.08567	7.7
120.08117	10.8
121.06511	12.2
132.08084	27.0
133.06491	8.2
133.10199	6.8
144.13835	87.7
148.92619	5.9
149.05962	10.9
149.09529	7.2
150.09128	24.2
159.07976	8.0
196.09628	38.7
197.09518	6.7
216.69234	5.0
262.18237	7.2
263.14285	7.6
290.17450	21.4
291.13754	6.1
308.18579	39.7
309.15002	8.0
327.15906	9.8
509.21768	27.5
714.29712	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	877.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84218	0.9
70.55061	0.9
79.05502	1.4
91.05456	4.9
95.04955	1.9
107.04954	63.4
111.04449	1.1
119.04935	89.1
121.02806	3.9
123.04421	22.4
125.02335	5.9
133.06496	1.9
135.04366	1.4
137.05934	8.0
139.03923	1.2
141.05492	8.4
145.06473	3.8
147.04404	71.6
153.05458	13.8
161.06007	2.2
163.03900	19.9
165.05464	30.8
165.06883	1.3
171.04401	4.2
177.05438	2.0
181.04982	27.3
181.06461	3.5
182.07300	1.3
183.08054	1.3
185.05984	1.1
189.05476	2.2
193.04974	2.2
195.06490	1.1
199.07574	1.3
205.04953	7.3
209.05832	1.5
213.09021	6.7
217.05060	5.4
217.08575	5.1
227.07083	8.2
229.08598	6.0
237.05403	1.3
238.76268	1.1
239.06921	1.7
241.08568	22.0
242.05544	1.6
245.08067	48.6
246.80539	1.0
251.07018	1.1
256.07251	1.7
257.08093	8.9
259.09680	13.1
269.08130	19.1
271.06036	1.7
271.09698	2.4
273.07642	3.9
285.07608	5.2
287.09125	100.0
297.07724	1.2
299.09219	4.4
303.08664	2.3
309.07513	4.0
311.09195	7.2
315.08725	5.0
315.61142	1.1
351.74536	1.0
376.09100	1.1
377.10052	2.1
391.11728	19.3
395.11151	1.5
419.11130	6.4
437.12213	19.0
445.74655	1.3
555.16248	1.3
573.17529	47.3
591.18304	5.0
849.07642	1.2
911.37146	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	877.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	0.9
91.05485	7.3
95.04903	2.2
96.50512	1.0
107.04946	64.4
107.05682	2.1
119.04930	94.6
121.02818	6.6
123.04433	9.4
125.02325	1.7
133.06462	2.0
137.05954	7.3
141.05455	10.4
145.06464	4.5
147.04398	80.0
151.03888	1.9
153.05455	15.3
161.05978	2.0
163.03854	17.9
165.05467	23.0
165.06790	1.8
171.04414	4.6
176.92772	1.0
177.05428	1.4
181.04962	33.6
181.06488	6.2
185.06116	1.4
189.05429	1.6
193.05066	1.7
199.07556	1.6
205.04976	5.8
209.05939	1.3
211.07565	1.8
213.09081	8.7
217.05008	1.7
217.08516	1.2
227.07016	9.4
229.08641	4.5
234.89311	1.3
237.05589	1.3
241.08540	26.3
244.55426	1.3
245.08058	39.4
257.08038	12.4
258.05109	2.1
259.06021	5.0
259.09634	9.9
269.08063	23.2
271.06036	4.2
273.07428	3.5
281.08066	1.1
283.05707	1.7
285.07639	6.4
287.09100	100.0
297.07455	9.8
299.08981	3.9
302.07825	1.3
303.08591	4.5
311.09006	1.4
313.07034	1.7
315.08603	4.8
319.09348	1.6
325.07074	1.2
329.10251	1.3
345.07596	3.6
351.12323	1.5
377.10300	13.3
379.08142	5.9
384.88727	1.0
391.11673	10.2
395.11224	19.7
405.09647	5.5
409.12726	1.3
419.11249	4.3
421.09076	20.0
433.08612	1.1
435.10901	2.1
437.12418	10.0
439.14026	1.7
449.12405	1.9
494.24344	1.1
531.16071	7.8
573.17664	21.0
591.18237	5.6
605.16425	6.9
695.22137	1.2
740.88147	1.0
741.21320	9.3
877.26617	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	878.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67505	0.9
72.04507	6.0
77.03918	1.3
79.05501	11.3
91.05476	1.3
95.04963	8.5
96.27452	1.0
97.06570	1.1
105.02681	1.7
105.03390	49.7
105.04500	2.0
105.07020	3.7
107.04945	81.8
108.43810	0.8
109.06528	1.5
111.04404	1.0
116.20224	1.0
121.36002	0.9
123.04396	1.7
129.06973	1.4
131.04886	8.8
133.06514	1.6
134.09654	12.1
138.58739	1.1
141.06920	0.9
145.06552	4.0
147.07982	1.5
149.05981	18.5
151.07597	1.1
155.08574	1.9
157.06514	1.4
159.04536	1.1
159.08096	1.4
161.05939	1.3
167.07027	1.1
167.08568	1.2
171.08054	1.7
175.07478	3.3
181.10211	2.1
183.08038	1.4
192.09392	1.6
193.10167	1.9
194.11755	72.6
195.08087	1.2
197.09686	3.5
206.10956	1.6
207.11685	2.0
209.09624	1.8
209.13135	1.1
211.11134	2.1
213.09171	1.2
213.12788	1.1
223.11191	1.9
225.09172	1.4
225.12860	1.6
235.11238	5.9
237.09264	1.1
249.12781	2.0
251.10825	1.7
253.12393	2.1
259.11353	1.1
263.10696	2.0
265.12338	2.1
267.13824	1.1
277.12134	1.6
281.11649	1.5
295.13342	4.9
323.12891	5.8
341.13992	2.1
401.16031	1.6
458.59875	1.4
680.90460	1.1
685.25128	1.5
821.79877	1.1
878.35864	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	878.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02303	4.0
65.75916	4.5
68.04292	4.0
96.04252	44.8
99.00581	5.0
119.04887	6.3
150.09152	16.9
153.02026	4.4
173.75641	4.8
192.10194	33.2
207.11745	5.2
214.08392	100.0
221.24989	5.5
242.07867	53.1
244.12401	5.2
259.14758	5.1
260.08957	78.1
269.32141	5.3
276.48688	4.4
277.15887	4.9
282.76050	4.6
424.37231	4.3
461.19153	23.8
521.21033	10.0
656.28314	61.0
698.29285	40.6
716.30505	35.6
758.31299	68.5
776.32001	8.6
818.33167	25.9
878.35352	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.358
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68703	0.7
70.41090	0.7
70.54613	0.8
72.04515	4.8
77.03922	1.9
79.05513	9.5
81.03373	0.8
91.05478	1.7
95.04966	8.5
98.61063	0.8
100.88438	0.8
103.05453	1.2
105.03393	49.1
105.04473	1.5
105.07024	2.1
107.04950	85.4
109.06557	1.4
111.08022	0.8
111.37682	0.9
115.05438	1.0
117.06997	1.1
119.08623	0.9
123.04430	1.7
129.06990	1.8
131.04939	7.7
131.08572	1.2
133.06494	1.1
134.09653	11.7
135.08026	1.2
139.07591	0.8
143.08556	1.9
145.06523	5.8
149.05994	16.7
153.07050	1.0
155.08603	1.2
157.06546	3.6
157.10062	0.9
159.04399	1.3
159.07990	1.0
161.05994	1.1
167.07089	0.8
167.08508	0.9
169.10132	1.1
171.08098	1.5
173.06024	1.4
175.07602	1.5
179.08661	1.4
182.10907	0.9
183.07994	1.0
183.11668	0.9
185.09740	1.2
187.07495	1.1
191.06992	1.0
193.10275	1.8
194.11763	71.8
195.11681	1.2
197.09636	1.9
201.09003	0.8
205.10098	1.4
207.11748	3.5
208.99974	1.2
209.09692	1.3
211.60760	0.9
217.10170	0.8
222.10466	1.1
223.11195	1.4
225.09027	1.1
225.12651	1.3
227.10760	1.2
235.11226	3.8
237.12946	0.9
239.10727	1.4
249.09003	0.9
249.12679	1.5
251.10718	3.9
253.08672	1.2
253.12325	3.6
263.10648	3.1
265.12289	1.4
267.13791	1.4
277.12268	3.8
281.11829	1.5
293.11560	1.3
295.13467	1.8
305.11591	1.0
313.14233	1.0
321.51913	0.8
323.12766	1.9
341.13895	1.5
383.14920	1.1
401.16211	0.9
461.17981	0.8
488.07495	0.9
526.42194	1.0
594.81915	0.9
676.58191	0.9
685.24963	1.3
878.35846	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	878.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04538	1.0
91.05477	94.5
92.17732	0.8
95.04936	7.3
97.06507	0.9
98.15186	1.1
101.85074	1.0
103.05501	2.1
105.03399	50.6
105.04490	3.0
105.06987	1.1
109.06503	3.7
113.06020	1.2
117.07040	1.4
119.04923	16.0
125.05978	1.1
134.09668	23.9
139.07494	1.2
141.06918	1.2
145.06438	1.7
155.08563	2.3
164.10721	5.0
167.08537	1.9
171.07997	1.2
179.08597	1.5
180.09273	1.2
181.08592	1.1
181.10150	2.1
183.08217	1.5
187.07466	1.5
193.10248	3.9
195.11691	1.6
207.11742	1.3
209.09717	1.6
209.13181	1.8
210.11253	70.1
211.11224	1.4
219.11771	1.8
221.09630	1.0
223.11212	3.9
225.09198	1.2
235.11095	1.0
237.12836	1.5
241.12291	1.3
249.12813	1.5
261.12787	1.3
265.12360	1.6
267.13943	0.9
279.13733	1.3
307.13284	2.1
313.14572	2.1
325.14459	5.6
327.53421	1.0
343.15463	1.4
378.19531	1.0
385.16519	1.3
402.53769	1.0
445.18353	1.5
447.18356	1.1
669.25244	1.7
878.35931	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	878.359
Annotation	Unknow
Peak:m/z	Relative Intensity
86.19949	0.8
91.05482	87.4
95.04961	6.6
97.06496	1.1
103.05486	3.4
105.03394	57.2
105.07144	0.9
109.06532	4.0
113.06003	1.4
119.04933	18.3
121.06496	1.1
122.25854	1.0
123.04413	1.4
125.06010	1.6
129.07069	1.0
133.06496	1.3
134.09648	21.5
137.06033	1.0
139.07538	1.7
145.06525	1.6
147.08031	1.3
155.08545	1.1
157.06505	1.4
157.10158	1.2
164.10725	5.9
179.08536	1.1
181.10054	1.5
183.08011	1.4
190.24275	1.0
207.11786	1.5
210.11250	83.2
216.68925	0.9
218.10919	1.4
219.11740	1.5
221.09723	1.3
223.11246	1.3
233.13274	1.0
235.11130	1.4
237.12791	2.2
249.12808	3.3
253.12500	1.2
265.12231	3.5
279.13974	1.7
279.34348	0.9
283.13297	1.5
295.13351	1.1
307.13263	1.6
311.24609	1.0
313.14197	1.1
325.14429	5.7
385.16742	1.2
445.18576	1.4
669.25165	1.0
878.35956	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	878.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28758	1.0
73.46169	1.0
87.57716	1.1
91.05478	89.3
95.04957	6.0
103.05466	1.7
105.03390	53.7
105.04471	2.1
105.07075	1.3
106.67571	1.1
109.06506	1.9
117.07024	1.3
119.04937	20.2
121.06461	1.7
124.01223	1.2
125.05952	2.1
134.09648	22.5
143.08580	2.0
164.10732	6.0
169.06537	1.3
179.08560	1.4
181.10097	2.0
183.08008	1.5
193.10143	2.8
209.13263	2.4
210.11237	84.0
223.11188	2.2
237.12840	2.2
241.12146	1.4
246.10417	1.2
265.12292	2.5
279.13889	1.1
281.11868	1.2
295.13223	1.5
307.13446	1.6
314.13971	1.6
325.14240	4.2
385.16000	1.2
416.51556	1.3
445.19003	1.2
477.22238	1.2
494.97806	1.3
669.25842	1.8
878.35864	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	878.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06084	7.2
81.37045	3.7
95.04948	16.9
99.89963	3.8
105.02764	6.0
105.03397	100.0
109.06496	7.2
112.08720	5.1
117.07028	6.4
123.04420	5.6
125.05973	6.6
131.04959	7.5
145.06477	6.9
154.90488	3.9
181.10063	5.0
183.08067	4.0
193.10197	7.5
195.08131	4.8
195.11674	16.1
197.09644	4.4
204.09528	4.1
205.10202	5.9
207.11816	5.4
209.13326	5.8
214.90643	3.6
219.11655	5.9
223.11224	16.5
225.12680	4.6
235.11177	4.9
237.12749	8.5
239.10745	5.0
253.12193	7.6
255.13687	7.9
265.12305	17.7
279.13928	5.0
283.13196	16.7
295.13333	8.4
297.15079	4.8
307.13318	13.1
313.14236	4.6
325.14227	33.3
362.45969	4.0
367.15112	4.8
385.16495	20.7
427.17685	6.2
445.18491	15.2
507.19565	7.2
549.21307	16.4
564.28168	4.4
594.64264	6.0
609.23328	16.7
667.12079	4.0
669.25354	64.7
878.35956	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	878.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04527	1.9
76.12165	1.9
86.04781	1.8
91.04906	4.2
91.05476	100.0
95.04942	3.7
103.05466	2.9
105.03387	61.3
105.04456	2.7
107.04955	4.4
109.06560	2.1
117.07021	2.8
119.04913	17.3
123.04426	2.9
134.09645	26.4
135.70085	1.9
139.07567	2.1
145.06552	2.3
164.10657	3.3
169.10231	2.0
181.10049	1.9
188.76581	1.7
195.11800	2.3
210.11249	83.5
210.13219	3.4
211.11057	2.3
223.11255	2.4
232.76665	1.8
233.13290	2.1
236.87561	2.0
295.13382	2.0
325.14606	3.8
325.79913	1.9
469.40390	1.7
878.35864	99.6
878.52063	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	878.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	9.3
81.07052	7.1
81.57127	1.1
91.05471	2.1
93.07031	5.4
95.08558	1.3
107.04948	85.0
107.08574	1.8
119.08533	1.2
131.04941	1.2
131.08522	1.6
133.10121	1.4
134.09650	100.0
138.54213	1.0
143.08600	1.3
148.21768	1.1
149.05963	18.9
151.11153	4.2
165.07057	1.9
167.08539	2.6
169.10138	2.1
169.55627	1.1
179.08545	9.3
180.09343	6.0
181.10150	7.2
183.11617	1.3
191.08514	1.9
192.10263	2.2
193.10138	2.7
194.11783	85.3
195.11790	5.4
203.08568	2.3
204.09312	9.4
206.10942	6.8
207.11719	6.5
208.08839	1.4
209.13211	17.1
219.11652	20.5
221.13222	15.8
222.10394	5.4
236.12769	2.5
237.12730	23.4
239.14317	2.0
244.12491	1.3
251.14255	1.4
259.14786	1.5
277.16107	1.6
279.13763	4.1
281.15436	2.3
287.56567	1.1
294.58136	1.1
297.11713	1.4
297.14658	9.4
339.15857	1.5
339.80862	1.1
341.17712	1.6
472.24783	15.6
490.25775	2.4
532.26947	43.4
592.29285	2.2
640.35687	3.8
700.27374	2.0
700.38446	35.4
744.20435	1.2
760.40692	1.4
878.47510	11.7
906.12994	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	878.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.5
67.05507	15.5
69.07059	6.6
69.44851	1.0
71.08621	12.3
76.04111	0.8
79.05495	28.2
79.60650	0.8
81.07059	17.7
81.58801	1.0
83.04973	3.5
83.08612	8.2
85.02901	4.0
85.10177	7.4
91.03960	1.3
91.05482	17.1
93.07040	31.3
95.04961	6.1
95.08600	16.3
97.02879	1.1
97.06536	1.0
97.10175	4.5
99.11716	1.1
105.00928	0.9
105.07026	16.5
107.04956	3.8
107.08593	10.7
109.06503	2.0
109.10149	7.9
117.07016	1.7
119.08566	7.8
121.10118	1.5
123.08024	3.8
123.11724	1.6
129.07033	8.2
131.08546	1.9
133.10135	5.1
137.13269	1.2
140.75766	0.9
143.08549	3.9
145.10118	4.4
147.11691	18.9
161.09720	1.0
161.13254	8.8
162.49931	0.9
171.11697	16.2
189.12775	4.4
195.12561	0.9
207.13792	9.2
250.38068	0.9
257.24643	1.5
281.17419	29.0
313.27338	33.3
346.68402	1.0
509.58969	1.0
516.40131	1.1
519.40387	100.0
537.41479	15.4
878.58069	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	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.2
67.05174	0.8
67.05511	17.7
69.07064	5.7
71.05000	0.7
71.08315	0.7
71.08633	13.4
73.16987	0.6
79.05494	21.1
81.03400	1.0
81.07055	17.1
83.04976	2.7
83.08620	10.1
85.02889	3.6
85.06517	1.0
85.10192	9.7
91.03966	1.1
91.05471	14.3
93.07043	25.7
95.04958	4.9
95.08598	16.8
97.02879	1.3
97.06548	0.9
97.10154	3.8
105.07036	14.6
107.04913	1.5
107.08588	6.9
109.06516	2.4
109.10142	6.2
117.07021	1.5
119.08571	9.2
121.06454	0.7
121.10104	1.1
123.08069	2.9
123.11728	1.3
129.07025	6.0
131.08572	1.0
133.10132	6.4
135.11758	0.8
137.13275	1.0
143.08533	3.4
145.10141	4.4
147.11690	20.5
158.29895	0.6
161.09604	2.5
161.13226	7.5
171.11671	13.9
184.61351	0.7
189.12762	4.4
207.13852	5.1
239.23631	2.2
257.24661	1.5
281.17456	36.4
313.27377	27.1
519.40436	100.0
537.41443	14.9
794.66479	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	879.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48231	2.5
84.34966	2.2
91.05482	2.5
95.04959	4.1
96.42263	2.1
107.04953	79.9
119.04935	72.9
121.02853	4.4
123.04430	22.3
137.02165	2.3
139.03900	10.5
141.05450	4.8
147.04404	72.9
149.02365	3.1
151.03912	13.9
153.05478	9.5
153.59056	2.5
163.03896	12.6
165.05432	23.2
167.03416	3.6
171.04390	8.1
181.04929	25.5
185.05998	3.8
189.05365	2.4
193.04968	3.6
203.06947	2.6
205.04964	11.7
213.09158	3.3
215.07077	3.7
227.07036	9.9
231.06502	31.0
241.08476	18.7
243.06480	5.4
244.03668	10.2
245.04387	15.3
245.08083	62.0
255.06468	8.7
257.08060	23.4
259.06021	4.3
259.09662	9.6
269.08072	14.0
271.05954	11.8
273.07553	12.8
281.08224	2.7
285.03943	8.1
285.07556	9.9
287.09122	100.0
288.06311	8.8
297.07709	4.7
299.09024	4.0
303.08521	19.4
315.08609	10.4
321.07574	13.4
345.07556	3.7
363.08743	7.7
365.06580	2.8
377.10379	5.0
381.09531	10.9
391.07935	19.3
407.07587	11.3
421.08817	3.2
423.10837	9.2
439.14069	16.4
453.11688	2.8
471.12674	8.7
517.14746	9.1
559.15894	29.3
607.18182	51.7
725.18109	3.3
743.19098	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	879.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31792	0.9
66.16145	0.9
72.81788	0.9
84.26816	0.9
91.05475	4.2
95.04996	3.1
95.71597	1.0
107.04954	82.2
114.41779	0.9
119.04936	89.1
121.02869	4.7
123.04411	20.1
125.02345	4.0
129.93559	0.9
130.36711	1.0
131.04947	1.0
133.06514	2.1
135.04454	2.2
137.06000	8.5
139.03905	5.2
141.05450	8.6
145.06500	3.9
145.10750	0.9
147.04405	72.8
153.05437	15.6
159.04364	1.2
161.05942	4.8
163.03873	21.4
165.01836	1.5
165.05466	31.2
167.03294	1.4
171.04369	4.5
171.08076	1.1
177.05415	2.4
179.03413	1.3
181.04951	23.5
181.06461	4.9
182.07220	1.4
183.07994	1.5
185.06039	1.9
187.03903	1.0
189.05516	3.9
193.04951	9.6
199.07562	1.7
205.04944	7.3
213.09108	5.1
217.05014	7.6
217.08499	1.6
226.06209	1.6
227.06978	8.2
229.04994	5.4
229.08601	6.3
231.06517	9.2
237.05553	1.3
239.07028	1.3
241.04939	1.3
241.08578	16.9
242.05618	1.7
243.06470	5.6
245.04343	1.6
245.08069	46.3
253.04649	1.1
255.06570	3.7
257.04465	5.8
257.08041	9.8
258.05222	17.1
259.05972	24.3
259.09537	10.2
269.08063	19.9
271.05984	9.3
271.08859	0.9
273.07626	1.8
275.05460	1.9
281.08163	1.0
285.07516	1.6
287.09119	100.0
288.06299	20.9
289.07031	4.1
295.06104	1.1
297.07663	4.0
299.05481	13.7
300.06265	1.3
301.07117	5.3
313.07227	1.4
317.06564	6.0
321.09772	4.1
329.06366	2.0
333.11255	1.1
335.09186	1.3
349.10876	1.2
359.09122	7.2
363.08578	4.3
365.06525	2.0
377.10260	13.2
381.09509	1.9
387.08551	3.5
389.10330	2.0
393.09689	1.2
401.10266	1.8
403.08096	1.2
405.09671	22.7
407.07538	4.3
417.09567	8.4
419.11411	6.1
421.08987	3.9
423.10751	22.3
425.12198	5.5
433.09222	1.7
435.10745	14.5
447.11075	1.6
473.36902	0.9
517.14838	7.0
523.13763	4.9
541.15137	10.5
559.15906	24.7
678.95624	1.0
725.18799	7.8
743.19507	5.6
879.24023	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	880.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97358	0.8
72.04507	10.4
75.75760	0.8
79.05490	9.4
91.05467	1.6
95.04964	7.9
102.69962	0.8
103.56604	0.8
105.03393	40.4
105.04491	1.5
105.07024	1.5
107.04952	89.3
109.06519	3.2
113.06011	0.9
121.06477	1.0
131.04930	6.7
131.08617	1.2
133.06421	1.1
134.09642	11.0
139.07607	1.0
141.07010	1.4
143.08580	3.4
145.06497	1.3
145.10060	1.0
149.05956	12.7
155.08522	1.5
157.06529	0.9
157.10165	1.2
159.04413	1.0
159.08029	1.0
167.08560	1.2
171.08083	1.4
181.10065	2.8
183.11690	1.6
185.09669	1.4
187.07495	0.9
192.09183	1.1
193.09995	1.1
194.11763	100.0
195.11807	2.0
197.09705	1.3
199.07446	1.7
205.10063	1.0
207.11707	3.5
209.09636	1.2
211.11172	2.1
213.09282	1.0
219.11646	1.0
221.09683	1.4
223.11133	1.8
225.12837	1.6
235.11157	1.2
236.12691	1.0
237.09309	0.9
237.12782	5.0
239.10767	1.0
247.11314	1.2
253.12277	1.4
265.12244	1.3
275.65665	0.9
279.13846	1.2
281.11734	1.3
295.13214	1.3
298.14362	8.5
307.13290	1.6
313.14560	1.0
325.14346	4.8
343.15421	1.7
435.50867	1.2
445.18707	1.0
567.22467	1.9
627.23523	1.0
880.37347	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06671	1.0
68.43855	0.9
72.04517	12.2
77.03932	1.7
78.70734	1.1
79.05486	11.3
80.62101	0.9
91.05479	2.5
95.04933	9.6
97.06537	1.4
105.03392	51.1
105.04466	2.0
105.07028	1.2
107.04951	97.4
109.06509	1.9
117.07062	1.7
123.08016	1.3
124.63362	1.2
129.06915	1.0
131.04951	8.0
131.08597	1.5
133.06473	1.4
134.09660	14.3
143.08466	1.0
145.06519	1.6
149.05977	15.7
155.08533	2.2
159.08072	1.3
161.09674	1.3
167.08714	1.8
169.10170	1.2
181.10162	2.2
183.08131	1.1
183.11670	1.1
185.09648	1.2
187.07555	1.1
193.10149	1.9
194.11766	100.0
195.11742	1.4
207.11693	4.2
209.09709	1.6
211.11281	2.1
223.11247	1.5
225.12659	1.7
227.10651	1.2
235.11243	4.3
237.12793	2.3
251.10837	1.4
297.14978	1.3
298.14429	6.4
307.13232	1.4
325.14386	4.9
343.15454	2.6
385.16501	1.2
403.17780	1.6
580.25366	1.1
698.67877	1.3
880.37323	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44823	1.9
65.90569	1.6
66.64160	1.5
71.08643	6.6
79.05506	2.1
81.55247	1.8
91.05476	37.9
93.07050	3.1
95.04964	3.6
99.08075	2.4
105.03393	40.4
105.07050	18.0
107.08592	8.8
109.06506	3.2
119.04968	8.0
119.08563	11.4
120.08099	10.2
121.06500	10.6
121.10111	11.3
123.08075	2.7
130.12277	100.0
131.08577	3.1
132.08121	2.7
133.06476	14.8
133.10115	10.7
135.08006	3.1
145.06404	1.8
147.08028	10.1
149.05952	3.5
149.09618	13.3
150.09120	2.5
151.07582	2.6
159.08005	9.3
161.05977	2.8
161.09610	7.4
163.24532	2.1
169.10124	2.6
171.07988	2.1
171.11873	2.3
177.09082	9.3
181.10071	3.1
195.11653	3.4
196.09682	29.4
221.13376	2.1
223.11131	2.8
235.14827	2.2
248.16263	3.0
263.14447	4.1
281.15396	4.6
294.16989	49.4
309.14972	8.4
327.15839	9.4
345.17181	2.1
355.13635	1.9
387.18271	4.2
405.19058	3.4
438.69189	2.1
439.31516	2.4
491.20676	8.3
509.21640	21.2
522.56213	2.1
569.23529	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	882.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55885	1.4
79.05570	2.2
91.05481	46.9
93.07050	3.0
95.04956	6.5
95.08667	2.1
105.03392	49.3
105.07006	4.1
119.04932	8.0
119.08576	3.0
120.08099	6.9
121.06510	2.0
121.10133	3.2
132.08118	25.3
133.06485	2.9
133.10083	3.2
143.08524	2.2
145.10109	2.9
150.09146	100.0
157.10120	2.4
159.08022	2.2
159.31367	1.6
161.09612	2.2
163.11169	1.9
181.10153	2.2
183.11693	2.1
193.10100	2.3
196.09714	3.4
211.11247	1.7
223.11282	1.9
235.14903	1.9
239.14401	2.4
253.16083	2.3
263.14255	3.7
267.13754	2.3
268.13251	12.1
281.15503	2.9
291.13708	2.7
296.12872	26.6
309.14832	7.1
314.13834	27.4
327.15976	7.5
369.16888	3.4
509.21661	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	883.2075
Annotation	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
68.99786	2.8
77.72344	1.2
107.04948	1.5
109.02883	2.0
111.00778	11.0
111.04459	5.1
123.04414	33.8
127.03909	100.0
135.04417	31.7
139.03905	90.1
139.04762	2.1
147.04420	6.9
149.02309	7.3
151.03900	35.3
155.03358	2.8
161.05905	2.3
163.03880	51.3
165.05490	7.3
166.48537	1.5
167.03366	1.8
169.04993	2.8
175.03896	9.3
177.05476	7.3
179.03380	35.1
181.05089	1.6
187.03894	2.7
189.05339	2.4
191.03426	13.2
197.05965	1.6
201.05382	2.1
203.03394	24.7
205.04993	1.5
213.05438	5.6
215.07051	1.7
217.04950	5.7
224.97977	1.6
229.04930	7.6
231.06502	5.0
233.04489	12.0
237.05252	1.6
241.04819	3.4
243.06525	5.4
245.04422	98.3
247.06044	30.8
253.05069	1.9
257.04425	26.3
259.06076	13.2
261.07724	2.0
263.05460	27.7
269.04504	6.4
271.06021	15.3
274.04730	3.5
275.05490	18.7
283.06027	15.1
287.05499	51.4
289.06970	18.1
291.08566	14.0
299.05551	14.1
301.07086	9.6
305.06573	9.0
307.08221	1.8
311.05286	2.4
323.05551	2.8
351.05069	2.6
361.07205	3.2
379.08029	5.3
391.08249	2.9
393.05975	7.6
405.06107	6.5
407.07523	17.5
409.09225	15.4
411.10635	2.9
413.08429	2.5
419.07153	3.3
425.08621	24.1
427.10226	18.1
437.08395	8.5
441.08304	2.2
443.09430	5.2
449.08691	6.3
451.10193	2.5
467.09720	5.5
527.09290	2.1
545.10504	1.8
557.09924	2.3
575.11902	7.7
579.14935	28.8
593.12726	21.9
595.14325	11.4
605.12708	2.6
713.14893	7.2
715.16132	2.3
717.65082	1.5
731.15723	6.9
863.07642	1.6
883.20331	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	883.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	1.9
74.98942	0.7
78.14427	0.7
81.03403	1.8
109.02876	1.3
111.00801	8.3
111.04442	3.2
111.60979	0.8
119.04931	1.1
122.41676	0.9
123.04421	28.4
127.03912	100.0
131.65906	1.0
133.02834	1.2
135.04414	15.1
137.02301	1.8
139.03899	62.2
147.04411	6.0
149.02295	4.2
151.03897	31.7
153.05429	0.8
154.40396	0.9
155.03377	3.2
159.04399	3.1
161.02322	1.2
161.05981	1.0
162.91670	0.8
163.03891	33.7
165.05467	3.0
167.03337	1.4
169.05011	1.3
175.03880	9.5
177.05466	7.0
179.01794	1.4
179.03380	41.4
187.03873	1.8
189.05444	1.2
191.03394	8.0
199.03935	1.8
201.05602	1.8
203.03375	28.7
203.05125	1.5
203.06970	1.5
205.04974	2.9
207.02867	1.7
213.05460	3.8
217.05057	7.5
219.06477	1.7
221.04457	1.1
223.02345	1.0
229.04976	7.4
231.03000	1.2
231.06523	4.6
233.04439	8.0
241.05042	5.7
243.02866	1.1
243.06386	3.1
245.04425	41.0
245.23462	0.9
247.05995	28.5
248.47963	1.0
251.05453	1.4
255.06451	2.0
257.04419	19.6
259.06018	14.9
263.05487	17.7
267.06570	0.8
269.04413	7.9
271.05930	10.4
273.07651	1.7
274.04376	0.9
275.05432	11.1
283.06006	10.4
285.07510	1.1
287.05472	46.1
289.07043	18.4
291.08676	13.3
295.05920	1.3
297.04004	3.3
297.07626	1.0
299.05399	9.2
301.07053	7.6
303.08710	3.1
305.06570	9.4
307.06094	1.1
309.04108	1.3
311.05432	3.1
313.06808	1.0
323.05511	5.4
331.07953	1.0
351.05023	7.9
361.07010	1.0
365.06445	3.7
377.06601	1.0
379.08096	5.7
383.07565	5.3
389.06567	1.5
393.05969	12.8
395.07553	5.0
405.05945	8.4
407.07660	7.9
409.09094	12.2
411.11041	2.7
413.08673	1.5
417.05899	1.0
419.07788	1.0
421.09003	1.7
425.08630	13.1
427.10257	24.0
437.08487	1.6
439.10651	1.1
449.08643	1.2
453.11740	4.3
467.09689	1.6
470.68869	0.9
533.10651	7.1
537.62842	0.8
545.10870	1.8
551.11798	7.4
575.11633	4.1
579.14929	41.5
593.12976	13.5
595.14618	1.7
605.12366	0.9
697.15649	5.9
713.15234	5.9
715.16486	8.3
731.15924	8.6
883.20685	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	883.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97926	1.3
65.25518	1.2
68.99789	2.0
70.13184	1.3
111.00790	7.1
111.04428	8.3
113.37830	1.6
119.32890	1.5
123.04427	47.2
127.03915	100.0
134.57341	1.4
135.04417	43.4
137.02249	1.9
139.03903	81.7
147.04398	6.3
149.02316	5.4
151.03903	39.8
163.03891	47.8
165.05469	6.5
169.04974	3.3
173.06053	1.5
175.03900	5.9
177.05467	9.1
179.03381	44.4
183.04514	1.7
187.03856	1.8
189.01906	1.4
189.05415	2.6
191.03387	12.0
201.05460	6.7
203.03380	26.6
215.07094	1.7
217.04938	5.2
219.02835	1.6
219.06435	2.0
221.04425	2.0
223.02351	5.5
229.04947	9.5
231.06523	7.1
233.04425	13.1
241.04913	5.6
243.06471	5.3
245.04436	96.9
247.06007	63.3
247.08424	2.6
251.05634	1.9
257.04446	24.8
259.05981	11.0
263.05478	14.2
269.04379	7.8
271.05960	20.5
274.04788	1.7
275.05539	29.3
281.04477	2.0
283.06146	7.2
285.03931	1.6
287.05472	55.6
289.07077	21.7
291.08606	16.4
297.07431	2.0
299.05490	14.7
301.07028	2.7
305.06552	15.3
311.05621	3.1
317.06549	6.8
323.05493	1.7
351.04791	6.5
361.06796	1.6
363.04471	1.7
365.06430	1.5
379.08173	3.0
381.06354	1.5
389.06555	2.4
393.05780	9.5
395.07648	1.9
397.09140	7.5
405.05930	12.8
407.07581	10.6
409.09152	11.0
419.07498	5.0
423.07260	10.1
425.08572	16.5
427.10165	14.5
437.08612	2.3
441.08112	9.9
443.09604	10.0
449.08887	2.7
451.10553	2.1
453.08578	4.8
467.09595	2.2
533.10577	5.5
545.10663	2.0
551.11554	2.5
557.10480	1.7
575.11719	6.6
577.13422	5.2
579.15039	9.9
589.13428	2.6
593.12714	15.5
595.14331	38.2
695.51959	1.6
697.15680	1.7
708.57617	1.7
713.14697	4.1
715.16272	2.4
731.15948	9.7
735.00610	1.6
883.20239	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	883.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82465	0.6
69.03413	0.9
71.08650	0.8
73.02912	3.2
73.26264	0.6
79.05464	1.1
80.16125	0.7
81.07037	1.4
85.02905	6.2
85.10185	0.9
91.03946	4.6
93.07033	1.2
94.56286	0.7
95.08607	1.2
95.89612	0.7
97.02895	4.9
101.02367	1.5
127.03925	2.8
130.39735	0.7
147.11700	1.0
185.04262	0.8
203.05310	1.3
243.08344	2.1
325.67383	0.8
329.48395	0.7
347.09534	4.0
365.10553	1.0
405.13565	8.4
461.80798	0.6
465.20938	13.5
497.30783	9.0
614.25397	0.7
627.26318	9.0
659.36584	7.2
721.44922	2.6
781.32397	0.7
883.50171	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	884.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00925	0.8
63.95856	0.7
66.80330	0.8
68.79905	0.8
79.05478	1.0
91.05481	3.3
92.78025	0.8
93.07041	1.1
105.06983	1.5
107.08604	1.1
108.46166	0.8
109.06438	0.9
119.04904	4.4
121.06535	1.2
123.08097	0.9
134.09650	100.0
135.44218	0.8
145.10129	1.1
147.04370	6.2
149.09628	0.9
153.05466	0.8
173.09634	1.0
179.08823	0.9
181.10001	1.1
209.55528	1.0
219.11855	0.9
225.12595	0.8
233.74197	0.8
253.15933	1.1
266.13821	5.0
267.17673	1.0
277.15936	1.2
295.16891	3.8
307.32669	0.9
313.17996	4.0
355.18994	6.5
397.20087	1.5
407.49274	1.1
415.21161	3.8
441.94781	1.0
680.34644	1.5
829.07294	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	884.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18954	0.7
72.04498	1.5
91.05462	9.7
107.16145	0.7
119.04934	60.8
134.09650	59.2
143.08559	1.1
146.66628	0.8
147.04399	100.0
148.11246	0.9
152.14323	0.7
165.05469	1.9
167.08551	4.0
169.10211	1.5
179.08533	5.2
180.09381	1.3
181.10098	4.7
183.11623	0.8
189.05502	6.0
191.08574	1.4
192.09178	1.2
193.10126	3.6
194.10872	5.6
195.11696	5.2
196.08850	0.9
197.09427	0.7
204.09337	5.6
206.10896	4.4
207.06467	1.5
207.11670	3.2
208.08888	1.0
209.13222	14.9
210.11179	1.3
211.11128	1.8
214.38385	1.0
219.11678	9.7
221.13217	8.7
222.10359	3.3
237.12738	21.1
239.14333	1.4
244.12546	1.6
249.16484	1.3
249.48131	0.8
251.14291	1.4
252.12291	56.2
255.13774	1.5
267.17453	1.0
277.15930	1.7
279.13776	3.2
281.15546	1.2
294.13525	2.6
295.16968	1.1
297.14816	6.6
341.17621	1.5
492.78809	1.0
530.25427	8.7
540.30414	1.1
548.25940	6.3
590.27338	20.2
646.33594	9.8
650.29370	1.8
706.35748	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06096	9.8
63.83350	0.9
64.14951	0.9
67.05479	0.8
67.89414	0.8
74.84580	1.0
75.96671	0.9
79.05485	4.6
91.05480	18.1
91.31897	0.9
93.07027	1.8
95.04974	3.8
97.06558	1.3
103.98479	0.9
105.03387	0.9
105.06998	5.5
107.04946	5.8
107.08600	2.4
109.06522	1.4
113.12297	0.9
114.83385	1.0
117.07042	1.1
119.04936	61.4
119.08569	5.3
120.05712	2.2
121.06519	2.2
121.10129	3.9
123.08020	2.0
129.06993	1.3
131.07286	7.3
131.08548	4.0
133.06503	5.3
133.10164	4.4
134.09653	23.5
135.08078	3.8
137.09662	1.5
137.37415	1.2
137.58173	1.0
139.04182	0.9
143.08536	4.2
144.08116	7.8
145.06508	1.3
145.10091	2.2
146.09610	8.1
147.04408	100.0
147.08006	4.1
147.11633	1.3
149.08354	5.1
149.09590	2.0
155.08484	1.9
157.10104	2.1
159.08051	4.4
159.11674	1.7
161.09612	2.2
163.07518	5.2
164.10698	25.6
165.05428	1.2
169.10184	1.4
171.11586	7.1
173.09593	2.0
175.11230	2.0
181.10118	1.8
183.11722	3.8
185.09637	2.0
187.11201	5.0
189.05351	9.1
193.10129	1.7
195.11681	4.2
197.09683	1.7
197.13284	3.8
199.11205	4.3
206.11810	11.6
207.06531	7.5
207.11742	4.6
208.09645	1.1
211.11246	4.2
213.08966	1.0
213.12723	2.3
217.12149	2.0
219.11839	1.6
221.13359	1.4
225.12689	1.8
234.14079	2.1
237.12772	1.4
247.11143	1.2
249.16438	4.3
250.10728	40.8
262.13419	4.2
267.17523	4.8
268.11771	39.1
277.15863	9.7
277.67584	1.1
288.58133	1.1
294.85162	1.1
295.16937	13.1
313.17911	10.7
337.18112	1.2
355.18985	12.3
397.20099	4.6
415.21014	7.9
440.46140	1.0
457.21982	3.6
573.50854	1.0
617.72266	1.2
664.31116	24.8
724.32861	17.8
784.34967	5.4
881.64148	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	886.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06096	9.8
63.83350	0.9
64.14951	0.9
67.05479	0.8
67.89414	0.8
74.84580	1.0
75.96671	0.9
79.05485	4.6
91.05480	18.1
91.31897	0.9
93.07027	1.8
95.04974	3.8
97.06558	1.3
103.98479	0.9
105.03387	0.9
105.06998	5.5
107.04946	5.8
107.08600	2.4
109.06522	1.4
113.12297	0.9
114.83385	1.0
117.07042	1.1
119.04936	61.4
119.08569	5.3
120.05712	2.2
121.06519	2.2
121.10129	3.9
123.08020	2.0
129.06993	1.3
131.07286	7.3
131.08548	4.0
133.06503	5.3
133.10164	4.4
134.09653	23.5
135.08078	3.8
137.09662	1.5
137.37415	1.2
137.58173	1.0
139.04182	0.9
143.08536	4.2
144.08116	7.8
145.06508	1.3
145.10091	2.2
146.09610	8.1
147.04408	100.0
147.08006	4.1
147.11633	1.3
149.08354	5.1
149.09590	2.0
155.08484	1.9
157.10104	2.1
159.08051	4.4
159.11674	1.7
161.09612	2.2
163.07518	5.2
164.10698	25.6
165.05428	1.2
169.10184	1.4
171.11586	7.1
173.09593	2.0
175.11230	2.0
181.10118	1.8
183.11722	3.8
185.09637	2.0
187.11201	5.0
189.05351	9.1
193.10129	1.7
195.11681	4.2
197.09683	1.7
197.13284	3.8
199.11205	4.3
206.11810	11.6
207.06531	7.5
207.11742	4.6
208.09645	1.1
211.11246	4.2
213.08966	1.0
213.12723	2.3
217.12149	2.0
219.11839	1.6
221.13359	1.4
225.12689	1.8
234.14079	2.1
237.12772	1.4
247.11143	1.2
249.16438	4.3
250.10728	40.8
262.13419	4.2
267.17523	4.8
268.11771	39.1
277.15863	9.7
277.67584	1.1
288.58133	1.1
294.85162	1.1
295.16937	13.1
313.17911	10.7
337.18112	1.2
355.18985	12.3
397.20099	4.6
415.21014	7.9
440.46140	1.0
457.21982	3.6
573.50854	1.0
617.72266	1.2
664.31116	24.8
724.32861	17.8
784.34967	5.4
881.64148	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	886.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04520	2.5
79.05501	0.5
85.30845	0.3
91.05470	2.8
93.07024	0.3
95.04979	0.4
105.07015	1.9
105.50907	0.3
107.08568	0.5
109.06519	0.4
119.04940	4.9
119.08547	2.2
121.06481	0.6
121.10130	0.3
128.06223	0.3
129.06967	0.7
131.08583	1.3
133.06506	0.5
134.09647	100.0
135.08026	1.1
143.08624	0.5
145.06464	0.5
147.04404	10.5
147.08060	0.6
149.09607	0.6
155.08601	0.7
157.10164	1.5
159.08052	1.2
161.05936	0.5
161.09584	0.7
163.07518	0.4
165.05637	0.3
165.07019	0.3
167.08609	0.5
168.94402	0.3
169.10078	1.4
171.08046	0.4
171.11598	0.3
173.09581	1.4
175.07495	0.5
175.11147	0.5
179.08504	0.4
181.10155	1.8
183.11678	0.5
185.09558	1.2
187.11160	1.3
189.05400	0.7
192.10156	1.4
193.10138	1.7
195.11690	1.7
197.09648	0.6
197.13228	0.4
199.11159	0.4
205.10188	0.5
207.06480	0.3
207.11684	1.8
208.12444	0.4
209.09619	1.3
209.13324	1.4
211.11203	1.8
217.10155	0.6
219.11758	0.3
221.09450	0.4
221.13235	0.6
223.11200	1.5
223.14890	1.3
225.12704	1.2
232.12465	0.6
233.13191	0.5
234.11119	0.4
235.11195	2.0
235.14821	1.4
236.11943	0.6
237.12788	0.7
237.16185	0.3
247.14812	0.6
248.11989	0.4
249.12946	0.5
251.14389	1.2
252.12273	10.5
253.15851	0.4
260.11960	0.7
263.14310	2.1
265.15900	2.0
267.13901	0.3
269.15439	0.4
275.14227	0.5
281.15372	0.6
293.15366	3.2
294.13327	1.5
311.16428	3.1
329.17358	0.5
353.17355	2.1
371.18625	1.6
413.19592	1.7
431.20139	0.3
455.20840	0.4
473.21585	0.6
646.30219	0.5
664.31116	3.2
706.32111	4.1
724.33801	0.5
766.34180	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	886.385
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35429	0.2
72.04521	2.4
78.80235	0.3
79.05483	0.7
85.02882	0.3
91.05479	2.4
93.07054	0.4
95.04953	0.7
95.08532	0.4
102.06525	0.3
105.07028	2.1
105.62460	0.3
107.08595	1.2
109.06461	0.7
117.07031	0.7
118.06586	0.5
119.04936	6.9
119.08586	1.6
121.06507	0.7
121.15350	0.3
121.41322	0.2
129.06969	0.5
131.08563	0.6
133.06499	1.6
134.09647	100.0
135.08060	1.1
143.08568	0.7
144.92690	0.3
145.06506	0.4
145.10127	0.4
147.04388	10.4
147.08073	1.3
149.09602	0.5
155.08556	0.6
157.10092	1.1
159.08029	1.7
159.09235	0.3
161.05957	0.3
161.09587	0.7
163.07593	0.3
167.08527	0.4
169.10127	0.6
171.08044	1.1
173.09651	1.2
175.11209	0.3
177.09151	0.4
179.08568	1.1
181.10118	0.7
183.11749	0.6
185.09575	1.3
187.07533	0.3
187.11139	0.6
189.05405	1.0
192.10149	1.8
192.39171	0.3
193.10144	1.5
194.10825	0.5
195.11690	1.7
197.09602	1.2
199.11201	0.6
203.10695	0.3
207.11732	1.1
208.12476	0.5
209.09602	0.6
209.13222	0.6
211.11160	0.6
217.10129	1.0
218.10921	0.5
219.11708	0.5
220.12459	0.5
221.09596	0.6
221.13248	0.6
223.11142	1.7
223.14717	0.9
225.12663	0.9
227.14200	0.6
232.12560	0.6
233.13246	0.4
235.11176	1.5
235.14757	2.0
237.12675	0.7
237.16446	0.6
245.13321	0.3
247.14789	0.7
248.12019	0.5
249.12659	0.3
250.13556	0.5
251.14325	1.5
252.12279	9.4
253.12337	0.6
253.15773	0.5
257.13382	0.3
260.11948	0.6
263.14328	2.4
265.15918	1.3
275.14276	1.4
281.15356	1.2
283.16953	1.0
293.15396	3.0
294.13327	1.2
294.92703	0.3
311.16522	3.2
321.82697	0.3
329.17508	0.6
335.16354	0.3
353.17456	2.4
371.18341	1.2
395.18839	0.3
413.19382	1.9
473.21539	0.6
646.29797	0.6
655.03162	0.3
664.31323	2.5
706.32129	3.7
724.33398	1.2
766.33868	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	886.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59669	0.4
72.04510	2.3
79.05488	0.6
87.72043	0.4
91.05463	2.4
93.07028	0.6
95.04961	0.9
102.07745	0.4
105.07049	2.7
107.08630	0.7
107.14214	0.4
109.06478	0.6
111.37361	0.4
117.06988	0.4
119.04940	6.8
119.08569	0.8
121.06479	1.7
123.46548	0.4
129.06967	0.7
133.06496	1.4
134.09650	100.0
135.07967	1.3
143.08559	0.5
145.06476	0.5
145.10091	0.7
147.04381	9.1
147.08058	0.7
149.09694	0.6
155.08629	0.7
157.10080	0.6
159.08063	0.9
161.05997	0.9
161.09637	0.6
169.10109	0.7
173.09615	1.6
175.07584	0.5
175.11279	0.5
179.08508	0.5
181.10094	0.8
183.11627	0.6
185.09627	0.8
187.11198	0.6
192.10167	0.9
193.10112	1.5
194.10895	0.4
195.11745	0.6
197.09613	0.5
199.11162	0.7
207.11723	1.7
208.12405	0.5
209.09636	0.9
209.13148	0.6
211.11250	0.8
217.10092	0.5
220.12389	0.5
221.09589	0.5
223.11208	0.9
223.14771	0.6
225.12877	0.6
232.12354	0.6
235.11192	1.6
235.14778	1.5
237.12675	0.5
237.16159	0.4
248.11752	0.5
249.12770	0.8
251.14243	0.7
252.12299	10.3
253.15970	0.5
263.14328	2.3
265.15781	1.5
275.14285	0.9
281.15363	0.9
293.15298	3.2
294.13342	1.6
311.16397	1.9
335.16367	0.7
353.17477	1.9
371.18481	0.6
413.19617	2.2
431.20239	0.4
473.21725	0.8
473.38486	0.4
646.30188	0.7
664.31403	2.1
706.32013	3.1
724.33136	0.8
766.34576	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	886.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59669	0.4
72.04510	2.3
79.05488	0.6
87.72043	0.4
91.05463	2.4
93.07028	0.6
95.04961	0.9
102.07745	0.4
105.07049	2.7
107.08630	0.7
107.14214	0.4
109.06478	0.6
111.37361	0.4
117.06988	0.4
119.04940	6.8
119.08569	0.8
121.06479	1.7
123.46548	0.4
129.06967	0.7
133.06496	1.4
134.09650	100.0
135.07967	1.3
143.08559	0.5
145.06476	0.5
145.10091	0.7
147.04381	9.1
147.08058	0.7
149.09694	0.6
155.08629	0.7
157.10080	0.6
159.08063	0.9
161.05997	0.9
161.09637	0.6
169.10109	0.7
173.09615	1.6
175.07584	0.5
175.11279	0.5
179.08508	0.5
181.10094	0.8
183.11627	0.6
185.09627	0.8
187.11198	0.6
192.10167	0.9
193.10112	1.5
194.10895	0.4
195.11745	0.6
197.09613	0.5
199.11162	0.7
207.11723	1.7
208.12405	0.5
209.09636	0.9
209.13148	0.6
211.11250	0.8
217.10092	0.5
220.12389	0.5
221.09589	0.5
223.11208	0.9
223.14771	0.6
225.12877	0.6
232.12354	0.6
235.11192	1.6
235.14778	1.5
237.12675	0.5
237.16159	0.4
248.11752	0.5
249.12770	0.8
251.14243	0.7
252.12299	10.3
253.15970	0.5
263.14328	2.3
265.15781	1.5
275.14285	0.9
281.15363	0.9
293.15298	3.2
294.13342	1.6
311.16397	1.9
335.16367	0.7
353.17477	1.9
371.18481	0.6
413.19617	2.2
431.20239	0.4
473.21725	0.8
473.38486	0.4
646.30188	0.7
664.31403	2.1
706.32013	3.1
724.33136	0.8
766.34576	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	887.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42557	2.3
70.71951	2.3
84.04272	2.3
92.17854	5.3
107.04245	2.6
161.18971	2.8
269.13553	5.6
336.04468	2.8
339.28922	4.0
343.55319	2.5
383.20334	11.0
393.91165	3.2
455.22513	5.3
887.45978	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	889.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00195	1.2
91.05479	2.1
105.07029	1.0
107.04953	56.8
109.75532	0.9
111.04434	1.0
119.04936	87.1
121.02868	4.5
123.04409	6.4
125.02341	4.7
133.06480	2.4
135.04443	1.3
137.02318	1.6
137.05991	5.4
140.04747	1.1
141.05460	10.6
145.06494	2.1
147.04410	59.4
153.05469	12.1
161.05991	4.0
163.03874	20.0
165.05467	16.5
171.04398	4.7
181.04959	32.8
181.06483	6.2
182.07291	1.8
195.08205	1.4
209.05905	1.2
210.06810	1.4
213.09117	8.2
217.05096	1.1
227.06969	7.7
229.08530	1.7
237.05579	1.5
241.08600	19.9
245.08070	13.9
257.07983	7.8
259.05896	1.9
259.09570	12.4
269.08081	18.4
276.45657	1.2
285.07861	1.7
287.09125	100.0
297.07623	5.1
299.09216	1.5
311.09042	1.2
315.04938	2.1
317.06393	2.5
329.06525	1.7
345.07373	1.8
377.10083	5.1
391.11981	1.4
395.11215	9.7
421.08984	1.9
437.12216	2.2
531.16278	2.0
573.17438	6.4
585.09967	8.8
603.14984	7.8
645.15723	2.0
721.14929	1.6
753.17871	6.2
889.30927	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	890.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04507	1.0
89.80283	0.6
91.05476	12.3
95.04948	1.4
96.81709	0.6
105.03399	24.6
105.04482	0.6
105.07022	1.1
112.73398	0.7
119.04940	63.5
131.08543	0.9
133.06488	2.4
134.09653	69.0
139.68259	0.7
141.27274	0.6
143.08615	1.3
147.04405	100.0
148.11125	0.8
165.05473	3.8
165.07021	2.7
167.08563	4.1
169.10083	1.4
170.03386	0.6
178.07755	1.2
179.08524	7.4
180.09319	3.1
181.10063	4.9
183.11671	1.0
188.91093	0.8
189.05463	7.6
191.08607	0.9
192.10205	0.7
193.10048	6.5
194.10927	6.2
195.11681	4.1
204.09378	7.2
206.10954	5.0
207.06592	4.3
207.11716	3.7
209.13246	15.8
210.11310	1.2
211.11211	0.7
219.11705	12.2
220.12497	1.2
221.09550	1.1
221.13263	11.5
221.86246	0.6
222.10406	3.8
225.12801	1.0
233.13158	0.8
235.11026	0.8
237.12741	14.5
239.14297	3.9
244.12479	0.8
250.10840	1.0
252.12300	59.1
255.13800	1.2
267.17484	0.7
277.15900	0.7
278.11075	0.7
279.13773	1.4
281.15286	3.3
294.13477	0.8
295.16925	1.4
297.14734	7.4
341.15060	1.0
359.16595	0.9
524.85455	0.8
530.25409	9.7
548.26575	6.0
590.27454	27.0
650.29114	3.1
652.29041	15.0
712.31201	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71284	1.8
82.29858	1.7
86.19331	1.9
91.05471	2.5
95.04948	3.8
107.04956	76.0
107.05679	3.8
111.04433	2.4
119.04938	99.1
121.02835	3.0
123.04417	12.1
124.20609	2.0
125.02322	3.2
137.05983	12.3
140.52544	1.9
141.05457	18.4
145.06406	2.7
147.04416	80.4
151.03830	2.1
153.05486	23.1
161.05975	2.2
163.03899	21.2
165.05470	30.8
171.04408	3.1
181.04953	28.7
181.06456	7.0
189.05524	2.9
193.04999	3.1
209.05931	3.1
213.09074	9.6
217.04939	6.5
219.02876	2.3
227.06975	4.7
229.08562	3.1
231.06488	3.0
241.08530	23.9
243.06500	3.9
245.08063	30.2
257.08090	9.0
258.05191	3.6
259.06058	7.5
259.09689	11.1
269.08032	21.6
271.05939	4.4
285.07611	2.8
287.09131	100.0
288.06247	3.0
333.06018	4.5
363.08072	2.4
377.10065	3.6
393.09436	3.3
405.09753	10.0
423.10791	4.2
435.11194	3.6
737.15656	4.2
755.18115	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	892.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04500	2.0
77.02270	0.5
88.01513	0.5
91.05481	3.0
93.07007	0.8
105.07013	1.1
107.08571	1.2
114.19579	0.6
117.07068	1.0
119.04929	0.8
119.08577	2.2
119.90839	0.5
128.06197	0.6
129.07040	0.9
133.08882	2.4
133.10101	1.1
134.09654	100.0
135.08060	0.9
143.04720	0.8
143.08554	1.3
144.08076	2.2
145.10117	0.8
146.09663	7.5
147.04341	0.7
147.10388	4.6
148.11217	13.9
155.08571	0.6
157.10124	1.0
161.50835	0.5
164.10707	1.2
171.11690	0.8
174.09143	14.6
179.08498	0.6
181.10071	0.9
183.62445	0.5
185.05766	2.2
185.09608	0.9
187.11229	0.7
192.10251	12.2
193.10167	2.3
195.11790	1.0
197.13315	1.0
199.11159	2.0
206.11797	5.5
207.11745	3.4
209.13295	0.7
213.12801	0.7
217.10277	0.7
219.11726	1.2
220.12424	0.6
221.09650	0.6
221.13229	1.0
223.11115	0.7
225.12743	0.9
229.10136	1.0
233.13245	0.6
234.14008	2.1
235.11174	1.1
244.12506	4.1
247.11353	0.9
249.12640	0.6
249.16411	2.8
252.12325	0.7
259.14844	2.9
262.13565	3.1
267.17456	0.7
274.10513	4.4
277.15915	4.7
295.16910	3.3
313.18256	0.6
319.16943	0.7
337.18265	0.6
359.15964	0.7
401.17255	1.1
419.18137	0.9
461.19522	5.5
479.20367	1.2
521.21332	5.6
595.58276	0.6
610.28271	0.6
630.30530	0.6
652.28497	0.6
670.29913	10.3
690.32336	2.5
712.30963	13.5
730.32050	12.0
772.33014	21.6
790.33630	2.7
832.35236	17.4
892.36969	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	892.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04506	1.0
77.03883	0.5
79.05494	1.0
81.07113	0.5
84.21339	0.5
89.38157	0.5
91.05501	4.0
93.07041	0.5
95.04955	0.9
95.08564	0.7
105.03375	0.7
105.07027	2.9
107.04939	0.7
107.08614	1.0
117.06977	0.7
118.06515	0.6
119.04943	0.8
119.08571	2.8
124.75790	0.6
128.06174	0.8
131.07309	0.9
131.08569	0.8
133.08897	2.5
133.10112	0.9
134.09648	100.0
135.08115	0.7
136.07578	1.2
141.01549	0.6
143.04659	0.8
143.08575	1.3
144.08072	0.7
146.09634	6.5
147.04391	1.2
147.10443	4.7
148.11195	13.8
157.06442	0.6
157.10109	1.3
159.08064	0.9
161.09566	0.7
163.07402	0.6
164.10696	1.0
165.07024	0.7
169.10117	1.3
171.11674	0.9
173.09575	1.0
174.09143	15.3
179.08511	0.9
181.10150	1.0
185.05716	1.2
185.09590	0.7
187.11169	1.1
192.10220	16.5
193.10135	1.2
195.11691	0.8
197.13284	2.0
199.11203	2.3
205.10175	0.8
206.11826	5.8
207.11630	3.7
211.11240	0.8
217.10117	0.8
219.11723	1.2
220.08879	0.9
220.12604	1.1
221.09618	0.9
221.13326	0.7
225.12732	0.8
229.10077	1.1
233.13327	0.7
234.14035	0.9
235.11263	1.2
243.11717	0.6
244.12497	3.1
247.11115	1.1
249.16321	3.2
252.12166	0.6
259.14877	3.7
262.13504	2.4
267.17410	1.0
274.10498	3.5
277.15778	6.1
295.16974	3.3
319.06262	0.5
337.17795	0.8
359.16156	0.7
401.17542	1.1
410.77841	0.6
419.18185	1.3
461.19287	4.9
479.20276	1.1
521.21381	4.8
585.06396	0.6
588.28778	0.6
670.29926	8.4
690.32306	2.2
712.30890	11.3
730.31696	9.1
772.32996	26.5
790.33527	0.9
832.34979	15.0
892.37177	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	892.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14402	0.4
71.03161	0.5
72.04524	1.1
74.06068	0.5
76.34187	0.4
77.39487	0.4
80.40944	0.4
91.05482	1.9
92.17843	1.0
93.07042	0.6
95.30277	0.4
105.06991	1.8
106.27058	0.4
107.08578	0.9
117.06985	0.6
119.04919	0.7
119.08578	3.1
131.07446	0.6
131.08525	1.0
133.08862	2.6
134.09651	100.0
135.08064	0.9
141.01596	0.6
143.08571	1.1
144.08086	1.0
146.09634	6.0
147.04402	0.6
147.08076	1.0
147.10387	4.1
148.11217	13.5
157.10150	1.8
161.09627	0.5
164.10732	1.1
169.10098	0.8
171.11665	0.8
173.09592	0.9
174.09143	15.3
175.11237	0.5
179.08556	0.7
183.11676	0.9
185.05673	0.9
187.11148	0.9
192.10225	14.9
193.10086	1.7
194.11131	0.6
195.11713	1.1
197.13087	0.7
199.11234	1.9
200.52560	0.5
206.11823	5.6
207.11690	2.7
209.09703	0.5
209.13275	0.7
211.11168	0.8
217.10207	0.7
219.11618	0.9
220.12308	0.6
221.09525	0.7
223.11128	0.7
225.12717	0.7
229.10182	1.7
233.09721	0.5
234.14081	1.1
235.11154	1.0
237.12781	0.7
244.12503	3.1
247.11102	1.6
249.12764	0.6
249.16373	2.7
252.12372	0.7
259.14935	2.2
261.12717	0.6
262.13483	0.9
267.17410	0.8
267.94385	0.5
274.10480	4.3
277.15811	6.1
295.16910	3.0
311.49634	0.6
337.18350	0.9
359.16125	1.0
401.17090	0.7
419.18393	2.1
444.82535	0.5
461.19376	5.9
479.20581	0.8
521.21460	5.7
648.31366	0.5
670.29706	9.3
690.32617	1.9
712.30884	13.5
730.31940	13.4
750.34729	0.8
772.32990	26.8
772.47046	0.9
790.33563	1.2
810.35950	0.6
832.35071	16.3
892.37030	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	893.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20691	0.8
63.24901	0.8
64.68781	0.8
73.60625	0.9
87.60593	0.8
91.05476	3.6
95.04974	2.0
107.04948	57.4
119.04933	84.2
121.02887	5.2
123.04424	9.8
125.02357	3.5
133.06544	3.5
135.04427	1.3
137.05978	7.1
139.86925	0.9
141.05453	10.0
145.06465	4.6
147.04402	66.0
153.05447	12.9
157.06512	1.2
161.05956	1.9
163.03888	18.9
165.05467	23.2
171.04433	4.6
177.05467	1.4
181.04971	28.0
181.06493	4.6
182.07230	2.1
185.06042	0.9
189.05496	1.9
193.04913	1.4
205.04906	3.7
209.06007	2.0
212.04893	1.2
213.09042	6.6
217.04907	1.3
217.08586	1.3
227.06955	8.1
229.08635	6.2
237.05389	1.5
241.08586	22.1
245.08043	31.5
257.08054	12.0
258.05164	1.7
259.06088	3.9
259.09552	11.4
269.08032	20.1
271.06012	3.5
271.09756	1.4
273.07559	4.1
281.07758	1.0
283.05835	0.9
285.07684	6.7
287.09122	100.0
297.07541	4.8
299.08978	1.4
302.07794	1.6
303.08661	2.1
311.09186	1.9
313.06958	1.1
315.08539	3.6
319.09879	1.2
345.07346	1.1
377.10138	9.7
379.08060	4.5
391.11676	4.9
395.11346	11.0
405.09613	4.0
407.11395	2.1
419.11304	1.7
421.09021	12.4
435.10730	1.9
437.12180	6.9
439.13867	1.4
515.25983	1.1
531.16486	3.6
573.17590	16.2
607.18066	5.2
619.17719	1.1
621.16870	2.8
757.21613	7.3
893.25891	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	893.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35974	0.8
91.05483	2.2
95.04967	5.4
107.04958	64.1
111.04456	1.5
119.04943	91.8
121.02845	4.0
123.04423	19.6
125.02346	4.8
133.06511	1.2
134.83282	1.0
135.04318	1.5
136.02103	0.9
137.06023	8.7
141.05473	12.1
145.06482	1.8
147.04416	72.9
153.05449	14.6
159.40190	1.1
161.05994	6.4
163.03896	22.1
165.05467	37.2
171.04427	4.2
177.05470	4.6
181.04979	27.6
181.06505	4.6
182.07312	1.6
185.06096	1.2
189.05513	1.6
193.05011	4.9
198.06766	1.2
205.04935	9.7
207.06476	1.7
213.09109	9.0
217.04956	4.5
217.08582	2.2
226.06422	1.1
227.07018	6.3
229.08659	8.7
237.05472	1.9
241.08578	23.9
242.05640	1.2
245.08073	44.7
251.06947	1.1
255.06546	1.2
257.07986	10.0
259.09653	17.4
269.08093	18.7
271.05981	2.0
271.09756	1.2
273.07532	1.9
285.07578	5.1
287.09137	100.0
299.09198	4.8
303.08624	5.1
309.07605	2.3
311.09113	7.3
315.08679	3.8
339.08554	1.8
363.12140	1.5
376.09119	1.5
377.10190	2.2
391.11761	19.8
419.11325	7.2
437.12320	18.2
498.81607	1.4
555.16376	1.4
573.17633	52.0
607.17883	3.8
638.65479	1.1
714.66901	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	894.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.6
67.07404	1.0
75.07910	1.2
79.05501	2.3
81.07063	9.4
91.05479	91.6
93.07034	6.0
95.04974	2.7
103.05473	2.3
105.07014	1.8
107.08590	5.3
107.09378	1.0
109.10138	1.9
119.04934	27.2
123.11705	1.8
129.06926	1.3
133.10127	2.2
134.09653	74.0
137.27519	1.1
137.98727	1.3
140.38995	1.1
143.08571	1.7
147.04373	7.1
151.11183	6.2
155.08527	2.2
165.06946	1.4
166.07831	1.3
167.08574	5.9
169.10120	4.6
179.08543	11.5
180.09378	1.9
181.10095	6.8
191.08543	5.3
192.09363	2.9
193.10144	10.8
194.10915	7.3
195.11647	8.8
203.08513	1.9
204.09315	9.7
206.10878	8.5
206.30702	1.5
207.11697	6.3
207.34723	1.3
208.09608	5.7
208.12631	1.6
209.09792	1.8
209.13287	18.8
210.11246	100.0
211.11188	6.9
219.11681	23.1
221.13268	18.0
222.10410	6.1
225.12740	1.7
235.11209	2.4
237.12706	34.3
239.14336	4.9
249.16393	1.8
251.14308	2.0
252.12315	5.4
253.12219	2.1
261.16333	1.4
275.10443	1.4
277.16019	2.5
279.13736	5.0
281.15433	1.8
297.14932	10.5
304.39075	1.2
387.22995	1.6
488.24356	15.1
548.26404	50.4
608.28430	2.5
656.36047	15.3
716.37988	59.6
736.38843	1.3
894.46063	6.4
902.18988	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	896.369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.0
74.06078	92.8
91.05477	88.8
93.07025	2.3
97.02853	1.9
105.03396	30.2
105.07017	3.2
106.06529	9.3
118.06557	18.2
119.04929	39.8
119.08540	2.3
121.06511	2.4
121.10126	1.9
133.06500	2.2
136.07573	43.8
145.10173	2.4
147.04408	24.3
147.08099	2.2
149.09674	2.8
165.05460	2.2
169.10008	2.2
180.09242	1.9
181.10086	2.2
182.08121	32.4
192.10194	21.7
194.61429	1.7
199.11269	1.7
202.18184	1.7
220.09700	6.8
238.10715	100.0
239.07805	1.6
239.14226	3.0
269.11539	1.9
299.16516	2.2
309.14862	2.3
327.15903	8.2
329.26660	2.1
345.17014	2.7
369.17371	1.8
405.02295	1.9
509.21582	4.0
647.99426	2.2
789.65759	2.5
896.73480	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	896.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.9
69.03417	6.3
71.51367	1.1
73.02912	1.3
79.05482	5.1
81.03433	1.3
81.07059	1.6
83.04993	1.5
85.02914	5.0
91.05480	46.4
92.17939	2.7
93.07030	10.8
95.04974	10.6
95.08602	5.2
97.02898	12.2
105.03392	100.0
105.04495	4.1
105.07036	20.9
107.04966	2.6
107.08577	6.9
109.06533	2.9
109.10171	1.2
115.03928	2.6
117.06964	2.6
119.04933	8.9
119.07794	1.6
119.08535	9.6
120.08103	11.9
121.06487	12.5
121.10158	9.7
123.04438	1.7
123.08057	8.9
129.06982	2.5
131.08572	2.6
133.06496	16.3
133.10144	11.0
135.04356	2.3
135.08105	1.7
137.06026	2.0
141.06956	1.7
143.08539	2.9
145.06412	1.2
145.10135	3.0
147.08038	5.9
149.05992	10.9
149.09584	10.0
151.07475	2.5
156.09366	1.6
157.04964	5.9
157.10159	4.9
159.08044	6.8
161.09605	8.6
163.07567	1.6
167.07033	2.4
167.08418	2.2
169.10144	5.5
171.11613	4.2
173.09608	2.5
175.07536	2.0
177.05423	2.5
177.09047	1.2
179.08479	2.0
180.09273	2.1
181.10083	2.3
183.11690	8.1
185.09596	2.6
193.10107	7.6
194.10931	1.9
195.11668	7.8
196.09708	56.0
197.13078	1.8
199.11162	5.8
205.10204	1.8
206.10898	5.2
207.11656	5.2
208.12450	2.0
209.09602	1.5
209.13287	6.1
211.11227	6.4
211.14827	1.6
213.07452	1.4
213.12724	1.5
219.06599	2.1
220.12541	6.2
221.09644	1.3
221.13260	1.9
223.11189	5.6
223.14801	5.5
225.12816	2.5
225.16217	1.5
227.14456	1.3
235.14851	8.2
237.07584	5.4
237.12849	4.9
239.14262	5.5
241.12245	1.6
248.11989	1.5
249.12697	2.0
251.10735	1.3
251.14409	2.4
253.15965	5.4
263.14273	8.1
265.12357	1.5
265.15854	5.1
267.13663	1.7
269.11743	1.4
269.15363	1.6
281.15393	9.4
283.16919	3.0
291.13657	2.5
293.15399	1.5
297.14813	1.4
299.16382	2.8
309.14838	8.9
311.16446	10.6
327.15802	16.3
345.16882	6.0
371.18607	3.0
387.18030	6.6
439.23370	1.4
447.20206	1.6
449.19485	2.5
493.22009	1.8
509.21768	22.4
569.23834	12.8
597.76038	1.2
641.26349	1.5
712.39069	1.3
737.11456	1.3
739.06348	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	896.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	4.5
75.64584	2.7
79.05495	5.2
80.05219	2.7
91.05482	38.6
93.07047	18.4
93.12611	2.9
93.55489	3.5
95.04948	17.5
95.08619	3.7
97.02868	12.0
105.03392	100.0
105.07028	18.7
107.08588	5.8
109.06537	4.2
115.03943	3.7
119.04939	12.3
119.08568	4.2
120.08126	15.3
121.06471	7.0
121.10141	12.0
123.04385	4.5
123.08017	3.9
125.52271	2.8
131.08530	3.8
133.06459	21.3
133.10147	13.4
135.08095	4.4
145.10101	3.5
149.09645	11.3
157.10162	5.1
159.08002	4.5
161.09608	13.0
167.08511	3.3
169.10168	3.9
183.11745	4.4
194.10997	3.7
195.11662	4.7
196.09682	56.5
197.09578	4.0
199.11131	3.8
207.11754	5.4
209.09650	4.1
209.13310	5.2
211.11273	6.7
219.06638	3.5
220.12544	6.1
225.16333	4.8
235.14799	5.0
237.07503	4.1
237.12566	4.1
248.11894	4.2
251.14378	5.1
263.14319	4.8
265.52319	3.4
281.15271	5.8
299.16422	4.0
305.84436	3.4
309.14816	12.0
311.16370	12.9
327.15930	14.2
329.13864	4.5
381.08319	3.1
387.17996	12.0
447.19803	3.7
449.19791	4.8
509.21750	31.9
569.23645	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	897.38
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	4.0
91.05479	9.8
93.07030	2.1
95.04967	5.6
95.08562	1.3
96.67171	0.9
105.03396	100.0
105.07049	6.8
107.56761	1.0
118.06550	5.3
119.04871	1.3
119.08565	4.8
121.06501	5.7
121.10150	2.2
122.06036	26.7
133.06509	5.1
133.10141	3.9
147.08069	1.7
149.06010	3.6
149.09529	1.2
155.08488	1.1
157.10147	1.0
159.08064	2.2
161.09619	3.8
169.10118	1.4
171.08067	1.6
177.05478	2.2
181.10152	1.4
183.08118	1.2
183.11595	1.2
189.09100	1.0
194.10945	1.4
195.11696	2.0
197.09566	1.4
199.11235	1.5
206.10936	3.5
207.11700	1.2
209.13304	1.7
211.11159	3.8
221.13319	1.3
223.11133	5.2
223.14671	1.2
224.11913	1.3
225.12848	1.7
227.14464	0.9
237.12743	1.7
239.10670	1.2
239.14378	1.5
240.10249	8.4
245.13318	1.1
251.14372	1.6
253.15822	2.0
258.50177	1.1
263.14368	4.6
267.13953	1.3
268.09735	5.1
269.11978	0.9
279.13763	1.4
281.15359	4.0
286.10727	24.0
286.13638	1.9
291.13889	1.4
299.16534	1.0
309.14929	8.8
320.10312	0.9
327.15939	6.5
339.65436	1.1
348.44977	1.2
376.31870	1.0
387.17950	2.1
405.19391	1.2
449.19470	1.2
509.21768	17.9
551.22882	1.9
569.23651	5.8
655.25159	1.6
656.62762	1.1
886.03711	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	897.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53432	0.4
67.05178	0.9
67.05508	19.0
68.26746	0.4
69.06733	0.8
69.07069	15.7
71.04975	0.6
71.08627	0.5
72.93143	0.5
79.05502	6.7
81.07062	28.6
83.08159	0.6
83.08616	11.4
85.06535	0.9
91.05457	3.4
93.07053	7.5
95.08598	25.8
97.06500	2.4
97.10186	5.8
105.07016	2.9
107.08573	5.4
109.10155	9.8
111.08047	1.0
111.11668	0.8
112.99228	0.7
113.00009	22.7
119.08565	2.3
121.10126	5.4
123.11695	5.3
125.09596	0.7
125.78322	0.5
125.79295	0.6
130.01561	0.5
133.10115	3.9
135.11690	3.6
137.09615	0.8
137.13239	2.0
147.11685	2.3
149.13271	0.9
161.13246	2.1
163.14806	2.2
169.02603	18.9
175.14757	0.7
187.03629	1.1
245.22609	1.9
263.23712	3.5
337.27338	100.0
431.25620	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	898.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76518	0.7
67.05170	1.1
67.05508	19.7
69.03421	1.0
69.07059	5.6
71.04991	9.7
71.08302	1.1
71.08634	13.7
71.45351	0.8
76.47304	0.7
76.89582	0.7
79.05502	4.1
81.07057	38.5
81.07525	1.9
83.04967	1.7
83.08603	9.4
85.02885	5.1
85.06548	6.4
85.10190	12.5
91.03953	1.9
91.05479	7.2
92.17894	1.4
92.18411	1.4
93.07018	3.4
95.08601	20.0
97.02935	1.4
97.06558	1.2
97.10171	4.2
105.06982	0.9
107.08576	4.1
109.10152	10.7
117.07030	1.4
121.10143	1.6
123.11687	17.6
125.82856	0.7
131.08501	0.9
132.88872	1.1
133.10135	11.1
133.84477	0.8
137.13235	1.5
149.13243	3.3
151.11150	8.1
153.51936	0.8
159.11676	1.0
169.12163	1.8
183.13821	1.9
187.13292	3.1
189.54866	0.9
192.30246	0.9
239.23639	5.0
257.17261	1.2
269.17474	1.7
301.20078	4.6
313.27365	14.0
445.23239	0.9
481.38873	44.3
507.40475	7.8
539.43024	100.0
589.05933	0.9
683.46887	4.3
704.15961	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	898.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	13.5
69.07059	5.7
71.04989	11.0
71.08655	6.4
81.07053	46.9
83.08614	7.5
85.10181	7.7
91.05496	8.4
95.08606	11.3
109.10155	7.3
114.41651	6.4
123.11693	21.3
131.12790	5.9
133.10135	8.2
176.18103	5.9
207.02199	5.6
313.27451	7.6
481.38782	47.6
503.25290	6.4
539.43176	100.0
563.81494	6.3
572.05060	6.9
689.75977	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	899.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03956	1.0
77.35299	0.9
79.05512	4.0
79.36569	0.8
81.07067	1.2
81.99635	0.8
83.02207	0.9
91.05470	7.7
93.07068	3.9
94.60085	0.8
95.04989	5.2
105.03391	100.0
105.07036	5.9
106.03761	3.7
107.08596	1.7
118.06545	7.8
119.04972	3.7
119.08555	1.7
121.06522	4.6
121.10152	3.1
122.06026	22.9
123.06397	1.0
123.08092	1.0
131.08539	1.7
133.06522	4.1
133.10158	3.6
135.08144	1.0
143.08514	1.1
147.08061	1.1
149.05995	3.8
149.09622	1.6
151.07620	0.9
159.08078	1.4
161.09634	3.4
169.10129	1.6
173.09695	0.9
177.09122	1.1
180.09338	1.0
181.10141	1.4
183.11787	4.1
185.09653	1.4
193.10162	1.3
194.10898	0.9
195.11668	1.0
197.13310	1.4
199.11133	1.1
206.10966	1.3
207.11601	1.5
209.13254	1.7
211.11322	1.6
220.12584	0.9
221.13210	1.7
222.10394	1.0
223.11308	1.9
225.16408	0.8
234.10214	0.8
235.14784	1.0
237.12813	1.9
238.13391	1.0
239.14384	1.1
240.10129	7.7
248.12061	1.9
249.12727	0.9
251.14081	0.8
263.14374	3.6
265.12473	1.0
267.13733	1.7
268.09668	5.9
281.15472	3.0
286.10736	22.8
287.10889	1.1
291.13840	1.7
299.16507	1.3
309.14758	7.4
327.15866	8.0
345.16843	1.2
369.16937	4.0
387.18057	3.2
394.03738	0.9
491.20227	1.5
502.29895	0.9
509.21692	10.7
551.22815	4.0
569.23938	4.3
655.25604	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	900.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00637	5.5
77.04873	4.0
98.38962	4.1
111.00832	5.0
123.04426	27.4
127.03922	55.3
128.04257	16.2
129.06612	19.5
130.04987	42.1
135.04404	17.1
139.03897	86.6
140.04193	7.0
143.89395	4.9
145.06116	31.6
147.04376	4.7
151.03856	47.4
152.04271	4.6
155.03372	6.5
163.03860	17.6
171.01129	21.8
177.03285	15.3
179.03381	33.8
180.03798	6.2
183.01192	5.3
191.03319	9.6
197.02672	4.4
199.00597	18.7
199.07106	16.4
203.03413	10.2
212.03664	4.6
224.03680	9.1
225.01979	3.8
229.04692	5.0
231.04202	5.2
233.04228	5.2
242.04874	6.2
245.04417	50.5
246.04785	17.5
247.05984	16.7
257.04453	27.0
259.05722	4.3
263.05597	9.2
271.06018	8.5
275.05472	19.9
276.05914	6.3
277.01819	4.6
287.05508	45.0
288.05829	7.6
299.05536	8.8
305.06479	8.5
306.06918	4.4
317.01367	5.9
319.02631	56.7
327.06488	51.7
377.27533	4.1
382.92334	4.8
399.08322	6.0
425.08588	6.9
427.10291	8.5
465.09232	5.6
470.22479	4.7
474.11267	9.5
484.10638	5.1
589.47632	4.2
594.13043	7.4
595.14160	5.5
596.14740	9.4
610.13110	36.3
612.14972	100.0
748.15485	6.9
900.21124	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	900.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55612	3.4
63.73309	3.3
67.05489	18.2
67.23773	3.6
70.99501	3.4
79.05489	21.3
81.07053	22.3
91.05482	8.7
93.07054	28.3
95.04982	5.6
95.08577	14.9
97.23293	3.8
105.07010	14.4
107.08614	6.5
115.76878	3.8
119.08555	4.0
121.10133	7.5
123.08046	4.4
129.31366	3.6
133.10083	4.5
135.11685	4.1
144.39095	3.7
145.10130	7.6
147.11688	15.8
162.16963	4.4
171.11591	3.7
182.38948	3.6
213.29033	3.6
270.31641	3.9
281.17395	7.1
335.25577	5.2
541.38892	100.0
559.39899	7.8
740.97485	4.0
808.26428	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	903.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17561	1.5
69.89907	1.5
80.41747	1.5
85.02932	2.6
93.74318	1.7
97.02868	1.6
109.02841	1.6
111.04440	15.6
123.04420	52.0
127.03925	51.2
135.04416	60.1
137.40749	1.6
139.03900	100.0
147.04401	3.3
149.02374	8.0
151.03893	40.6
161.06088	2.1
163.03897	36.0
165.05489	4.0
167.03381	2.3
175.20042	1.9
177.05330	1.9
179.03369	3.4
181.04980	3.2
191.03397	9.5
201.05525	3.3
203.03438	7.2
205.05113	2.4
215.07021	2.7
229.04977	3.7
231.06509	8.9
233.04390	7.7
241.04959	1.7
243.06595	2.5
245.04465	7.0
247.05969	40.8
251.05394	1.9
257.04401	12.3
259.05951	17.1
261.07568	6.6
271.06009	19.5
273.07596	3.5
275.05447	6.5
283.06128	11.8
287.05527	18.1
289.07043	72.8
291.08713	7.5
299.05557	2.1
301.07092	3.8
313.07153	2.8
409.09323	8.6
427.10217	21.1
433.11163	7.3
451.12195	9.2
453.13577	8.7
579.15015	7.2
589.14856	2.9
715.21570	1.8
741.19904	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	904.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04979	100.0
91.05489	6.4
95.04958	2.1
96.45111	1.5
99.94360	1.5
100.07629	13.0
101.08743	1.4
105.03389	25.4
105.07026	1.6
106.87574	1.4
107.08584	2.2
111.04665	1.6
116.55152	1.8
118.06516	9.2
119.04917	7.0
119.08521	2.0
121.06496	1.6
133.06454	1.8
138.96211	1.7
149.09622	1.8
161.17276	1.8
218.11783	17.6
228.06972	1.7
246.11279	16.3
264.12326	25.3
309.14868	2.0
327.15903	3.0
331.72375	1.6
338.49585	1.5
343.51654	1.6
347.14618	1.7
361.61380	1.7
409.32773	2.0
484.69724	2.0
509.21637	10.7
668.87268	1.8
772.33008	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	905.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18319	0.5
75.48849	0.6
77.03915	0.5
79.33973	0.6
91.05482	4.0
95.04968	7.1
107.04948	47.8
109.06532	1.1
111.04439	0.8
119.04932	87.9
121.02840	5.6
123.04420	22.3
125.02340	2.7
125.05981	3.2
133.06471	1.5
135.04378	1.4
137.05969	15.9
139.03854	1.4
141.05437	7.4
145.06488	0.8
147.04402	39.7
153.05452	81.6
157.06430	0.8
161.05986	4.0
163.03879	16.8
165.05461	47.9
171.04369	0.9
177.05467	4.1
181.04993	15.2
181.06490	2.8
183.08051	0.9
185.06030	1.0
189.05455	1.1
193.04970	2.6
193.09583	0.7
199.07507	0.9
209.05861	0.8
210.06848	0.8
213.09123	4.3
217.08661	1.2
226.06285	0.8
227.06989	6.3
229.08591	15.6
237.05486	0.7
239.07088	1.0
241.08577	13.0
242.05756	1.2
245.05743	1.1
245.08072	22.4
254.05760	0.7
257.08008	8.5
259.05899	0.9
259.06775	0.8
259.09656	13.2
269.04910	0.8
269.08081	13.9
271.06235	0.8
271.09433	0.6
273.07516	3.3
285.07535	1.2
287.09109	100.0
297.03998	2.4
299.05618	1.1
299.08978	0.8
339.05145	0.7
377.65292	0.6
393.09399	0.8
421.08539	0.8
433.09259	0.7
461.09006	1.0
571.12274	1.2
601.12903	0.7
617.13141	1.2
723.17255	0.9
751.15515	2.4
753.18152	5.0
769.17877	6.8
905.21600	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	905.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75867	0.9
67.01870	1.0
67.07646	1.0
71.36598	1.0
91.05489	2.7
92.18465	1.6
95.05015	1.4
107.04952	60.5
111.04434	2.4
119.04939	100.0
121.02866	16.6
123.04431	7.2
125.02319	2.4
133.06558	2.0
135.04401	5.0
137.05959	7.9
139.03908	8.1
141.05490	11.7
145.06462	5.6
147.04402	70.4
151.03851	1.7
153.05466	18.9
161.05989	2.5
163.03899	26.8
165.05482	22.9
171.04376	4.5
181.04977	46.9
181.06473	5.7
182.07297	2.4
183.08122	1.4
184.05197	1.2
185.06023	2.4
189.05420	2.1
199.07603	1.4
209.05968	1.8
212.04686	2.3
213.09099	7.5
217.08583	2.0
227.06966	11.0
229.08643	1.9
241.08586	30.5
245.08066	51.3
255.06712	1.1
257.07962	1.2
259.09647	11.8
267.06558	1.6
269.08081	20.0
271.05951	1.4
273.07645	5.0
285.07507	2.0
287.09125	99.0
313.07019	2.4
325.07413	1.2
368.60419	1.4
390.07343	2.3
393.09726	1.6
423.10791	1.9
435.10641	1.6
447.10693	1.4
463.10303	1.5
475.10162	2.2
541.11200	5.1
555.12653	13.5
569.10809	1.7
583.11945	5.2
597.57990	1.3
619.14734	4.7
631.14191	5.0
639.55499	1.2
723.16931	8.1
751.15704	2.0
769.17505	51.0
869.26227	1.3
905.22803	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	2.3
74.23747	0.3
79.05497	0.7
96.08122	18.3
97.06537	0.7
113.10757	7.2
114.09159	79.1
115.07568	2.3
121.13338	0.5
132.10210	1.8
138.77254	0.4
192.13803	0.7
208.18092	2.7
209.16478	41.1
210.14949	2.3
226.19121	14.2
227.17535	8.5
228.15923	30.3
245.18584	4.3
280.53671	0.5
321.26453	2.9
322.24844	23.4
323.23489	0.9
339.27557	10.3
340.25992	3.2
341.24313	14.0
358.26987	3.2
434.35004	2.7
435.33255	9.0
452.35922	5.7
453.34467	2.6
454.32611	3.7
471.35327	0.7
505.40128	0.4
547.43134	0.6
548.41699	2.5
549.17676	0.5
565.44556	2.6
566.42871	0.8
567.40869	0.4
634.58563	0.4
642.87958	0.5
660.52399	0.7
661.50580	0.6
678.52850	0.7
710.55951	0.4
718.98950	0.5
774.58093	0.8
777.05115	0.4
887.67273	2.3
905.67902	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	905.6798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	2.5
69.07378	0.3
96.07528	0.7
96.08125	13.8
113.10770	5.8
114.09163	66.6
115.07588	0.5
132.10222	1.3
145.60588	0.3
208.18085	2.1
209.16481	32.4
210.14868	3.2
226.17116	0.5
226.19144	11.6
226.21216	0.6
227.17580	6.3
228.15939	23.3
245.18655	2.3
261.02112	0.4
279.56653	0.4
306.65610	0.4
321.26572	1.8
322.24884	20.5
323.23419	1.8
338.99429	0.4
339.27515	6.9
340.25998	2.9
341.07773	0.4
341.24329	11.3
358.27209	1.9
434.35098	1.5
435.33261	7.1
452.35983	4.9
453.34375	1.9
454.32782	3.0
471.35934	0.4
547.43640	0.8
548.41388	2.4
565.44263	2.3
566.42657	0.4
567.41284	0.4
597.19513	0.3
660.51624	0.5
661.51074	0.7
678.52887	1.3
679.51569	0.5
887.66754	1.6
905.67926	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	906.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58271	0.8
66.27871	0.8
68.74831	0.8
69.68885	0.7
78.02010	0.7
81.07066	0.8
91.05459	9.9
95.04968	1.3
105.03386	28.6
109.49123	0.8
119.04938	67.4
119.08557	0.9
133.06491	3.9
134.09650	66.8
147.04396	100.0
165.05493	3.5
165.06985	1.6
167.08557	2.9
169.10127	1.4
179.08533	7.3
180.09309	3.0
181.10115	4.6
189.05490	5.7
191.08636	1.4
192.09236	1.1
193.10126	3.9
194.10919	4.9
195.11690	5.4
203.08508	1.4
204.09277	7.7
206.10933	4.3
207.06496	3.4
207.11690	3.5
209.13214	14.4
210.11235	3.4
211.14792	1.0
217.10205	1.0
218.99902	0.9
219.11673	12.5
221.13171	11.0
222.10378	3.3
223.62263	0.9
235.11212	1.7
237.12729	14.8
239.14293	3.3
246.18173	0.9
250.10504	1.2
252.12289	66.6
281.15399	1.9
294.13681	0.9
297.14694	5.7
341.15298	1.0
341.17365	0.8
359.16455	1.1
530.25348	8.3
548.26202	3.6
579.18689	0.9
590.27380	22.6
650.29468	1.4
652.28857	11.2
712.31250	14.1
724.32715	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	906.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05511	1.3
84.20810	0.8
91.05484	12.0
92.17839	1.5
105.03377	12.0
105.07047	4.5
117.07013	1.2
118.06468	1.0
119.04928	71.1
119.08621	1.4
129.06963	1.2
129.93256	0.8
131.08588	1.5
133.06473	9.0
134.09648	36.9
135.08104	0.9
143.08650	1.0
145.06493	1.5
147.04398	100.0
147.08124	1.3
148.11252	0.9
155.08531	0.9
159.08009	1.7
162.69466	0.8
165.05519	4.5
165.06938	1.4
167.08519	1.4
169.10168	2.1
179.08560	6.6
180.09384	1.9
181.10129	5.5
183.11771	1.3
189.05421	6.9
192.09326	1.5
193.10149	1.6
194.10873	6.0
195.08089	1.4
195.11760	2.8
202.99817	1.2
204.09447	2.0
206.10869	1.2
206.81905	0.9
207.06558	1.9
207.11702	3.4
208.08850	1.4
209.09731	1.8
209.13251	9.1
210.11249	1.7
219.11668	6.0
221.09608	1.3
221.13205	1.8
222.10356	8.5
225.12718	1.9
232.12456	1.2
237.12712	29.9
239.14365	1.6
247.14925	1.8
250.10822	1.1
251.14322	1.1
251.85939	0.9
252.12271	70.4
255.13882	3.5
260.12115	3.5
265.15833	3.0
275.14310	1.5
279.13458	1.0
293.15445	4.6
297.14828	39.1
299.16452	1.3
315.15948	1.6
353.17593	1.6
357.17059	3.7
389.06900	0.9
530.25592	1.0
548.26428	9.3
590.27441	7.0
608.28772	1.3
635.52240	0.9
646.29932	1.8
652.28912	1.7
706.31964	6.7
712.31354	4.9
730.32190	1.6
828.35962	4.0
846.37048	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	907.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	2.3
74.25696	1.5
81.03456	2.4
95.04955	13.6
95.58723	2.0
107.04945	45.4
119.04929	68.5
121.02875	11.2
123.04425	66.8
127.03859	2.3
132.26086	1.7
133.06499	2.5
137.02338	50.9
137.03387	2.6
139.03928	23.8
147.04373	18.2
149.02328	18.1
151.03893	38.1
153.05452	42.0
161.05951	2.7
163.03908	3.2
164.71574	1.8
167.03404	7.7
177.01811	3.3
179.03362	13.2
185.05997	2.6
191.03340	2.6
192.06853	1.7
199.07617	1.8
205.04990	2.1
207.02960	2.2
213.05397	3.2
215.06938	15.7
219.02846	2.8
220.79521	1.8
223.02388	8.6
227.07045	3.3
231.06517	30.9
243.06508	14.9
245.08134	9.8
249.23453	1.5
255.06508	10.5
257.04492	1.6
259.05960	2.3
271.05966	13.7
272.06812	1.7
273.07571	65.0
283.02618	2.4
283.05969	5.9
284.03299	2.7
284.80402	1.7
285.07684	3.2
287.05511	45.4
287.08789	5.2
299.05566	7.7
303.08597	20.4
311.01785	7.3
313.07138	2.9
315.04971	39.4
321.09631	4.0
325.03497	8.8
329.02850	7.0
329.06543	3.6
331.08197	7.3
333.07782	3.1
337.06885	1.9
343.04352	12.2
351.08783	3.9
358.85846	1.8
361.06973	1.8
364.05862	1.9
379.08112	68.7
379.12885	2.3
391.08066	2.8
392.05276	10.1
405.05777	2.5
407.07593	41.4
409.09253	2.6
421.09094	11.0
451.06409	11.7
453.08276	1.9
467.09637	9.7
519.38312	1.7
577.08899	1.9
587.11865	100.0
603.13483	1.5
617.12646	6.3
635.13745	7.4
653.06567	1.9
739.16876	2.1
741.10138	2.0
771.17676	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	907.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19392	0.7
65.03909	1.1
67.87811	0.7
69.26476	0.7
75.33446	0.9
75.95913	0.8
91.05470	2.9
95.04978	2.0
98.03645	0.7
107.04958	51.0
108.83231	0.8
111.04482	1.4
112.57566	0.9
119.04945	80.1
121.02849	6.3
123.04401	8.6
125.02351	4.2
133.06493	1.8
135.04387	1.0
137.02357	1.6
137.05962	5.7
139.03857	1.0
141.05470	11.9
145.06493	1.9
147.04411	61.6
151.03864	1.0
153.05472	12.5
161.05969	4.5
163.03894	18.2
165.05460	20.9
171.04390	1.5
181.04971	28.7
181.06487	4.4
183.08127	1.2
189.05519	1.8
193.04990	1.5
199.07495	1.1
209.06009	1.4
210.06801	0.9
213.09122	5.7
226.06293	1.5
227.07091	8.6
228.05840	1.0
229.08528	4.0
237.05563	1.3
241.08600	22.5
243.06587	1.0
245.08073	24.4
251.39093	0.8
255.06480	1.1
257.08041	3.4
259.06155	2.6
259.09628	10.6
261.07498	3.4
269.08084	17.9
273.07608	5.2
285.07632	5.0
287.09131	100.0
288.09839	0.9
299.05453	1.0
301.07086	1.9
303.08670	1.4
313.07126	9.3
335.09088	1.4
365.10303	1.5
374.08246	1.3
377.09787	1.0
389.10315	1.3
393.09613	9.8
407.11237	1.6
411.10852	7.1
418.07043	1.1
423.10565	1.7
433.09134	3.4
451.10291	3.3
547.15717	0.9
564.25848	0.9
587.15265	4.8
621.15656	4.6
663.17249	1.1
725.18231	4.0
753.17560	0.9
764.14160	0.9
771.19135	10.1
907.24377	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	907.5916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.7
69.07069	6.9
71.08630	0.6
79.05501	4.9
81.07053	62.0
93.07034	3.4
95.08546	2.1
97.06516	3.2
97.10228	0.8
99.08085	54.6
105.07009	1.4
105.25444	0.5
107.08605	8.8
109.10149	9.3
121.06520	0.8
121.10134	3.9
123.08047	1.4
123.11715	1.2
125.09611	16.4
127.11195	3.0
131.08539	2.7
133.10127	1.2
137.09587	0.9
143.08539	1.4
143.10667	5.9
145.10114	4.6
147.08025	2.4
147.11681	2.8
155.08542	1.3
157.10083	1.0
159.08101	0.7
159.11673	1.0
161.09604	1.0
161.13239	2.4
169.10086	1.0
169.87892	0.7
171.08075	0.9
171.11700	1.0
173.09621	5.7
173.13258	0.7
175.11284	0.9
181.10114	1.3
183.11671	1.2
185.09663	0.9
185.13191	0.8
187.11163	2.8
189.09052	4.9
191.10666	6.2
195.11674	2.6
197.09607	0.8
197.13246	5.2
199.11201	1.1
205.12305	1.1
207.11852	0.8
209.11694	2.6
209.13383	0.7
211.11093	1.0
211.14806	2.5
213.12781	2.5
215.14334	1.1
221.13300	1.4
223.11269	1.5
223.13210	2.6
223.15002	0.7
225.12790	4.1
227.14345	0.8
235.14789	1.0
237.12680	0.9
237.16422	2.6
239.14366	1.4
239.17935	0.9
241.15831	2.4
247.14865	1.3
253.15865	2.5
253.19548	3.7
255.17410	3.3
263.17990	0.8
265.15869	6.6
265.18488	0.6
267.17432	1.4
279.17838	0.7
281.15570	1.2
281.18930	3.4
283.16907	17.3
285.18506	1.1
289.19278	1.0
293.18863	1.2
299.16418	2.3
299.20059	4.6
301.17953	100.0
302.18817	4.8
303.19495	7.0
311.20120	3.7
317.21436	5.8
323.20297	0.9
329.21069	8.0
331.22806	1.3
335.20132	2.6
347.21738	0.8
353.21136	8.0
354.21628	1.0
371.22205	2.8
391.26132	1.3
409.27313	13.2
412.25964	1.2
427.22559	1.2
427.28400	40.8
445.29416	61.6
463.30508	94.0
471.03506	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	909.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79597	1.7
74.80537	1.6
79.29038	2.0
91.05465	1.9
95.04945	2.0
107.04953	58.9
111.04459	1.8
119.04935	88.0
121.02877	3.0
123.04416	19.0
125.02321	2.5
135.04416	10.4
137.06003	6.5
139.03885	4.3
141.05453	26.0
147.03275	3.6
147.04398	66.3
153.05440	22.0
161.05995	4.0
161.82407	1.6
163.03896	31.8
165.05458	37.4
166.12297	1.7
169.26073	1.7
171.04453	2.8
177.05508	1.9
181.04993	29.5
181.06505	3.4
209.05882	3.1
213.09138	8.5
217.08569	2.6
227.07066	4.0
229.08641	8.5
233.05017	1.7
241.08571	22.6
245.08015	25.1
257.08017	4.2
259.05966	14.3
259.09622	9.6
261.07639	7.2
269.08115	24.1
271.05984	2.7
273.07541	11.7
285.07574	9.5
287.09122	100.0
303.08600	15.4
313.07214	2.5
315.08704	9.3
393.09689	10.3
407.11441	3.2
411.10809	7.0
421.09161	14.0
453.11789	3.9
455.13449	3.5
468.27084	2.1
547.15991	2.8
589.17139	16.6
623.17737	7.3
860.20013	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	910.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	21.4
72.03654	1.3
72.98799	1.6
79.62488	1.7
84.95175	1.4
88.07630	51.2
91.05478	69.9
95.04955	2.9
105.03397	25.3
105.07031	3.5
106.06549	10.2
118.06567	15.4
119.04930	28.9
121.06489	3.1
121.10173	2.4
125.29453	1.6
133.06519	3.1
135.08092	1.9
136.07573	33.6
147.04428	11.6
149.09601	2.8
151.07504	2.1
161.09593	3.0
165.05490	4.0
182.08134	46.8
183.11743	2.6
195.11674	3.0
206.11780	10.9
211.11243	1.7
211.14799	1.8
213.12666	2.9
234.11298	6.3
235.09561	2.7
237.12616	2.0
252.09654	3.4
252.12292	100.0
281.15350	2.8
283.13431	1.9
309.14880	3.7
327.15775	6.3
338.94107	2.1
942.62598	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	915.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08708	1.8
71.72811	2.3
92.72671	2.6
109.02880	2.6
111.00800	5.7
123.04445	8.5
127.03916	70.9
139.02811	3.3
139.03897	100.0
151.03868	56.1
155.03398	13.8
163.03914	10.6
177.05511	3.4
179.03403	63.7
189.05481	4.2
191.03407	12.9
199.04060	2.4
203.03401	26.0
213.05406	4.7
217.03104	2.6
217.04959	5.0
233.04422	5.7
241.04918	3.4
245.04454	75.7
257.04404	32.8
259.05960	5.5
263.05511	34.5
269.04514	5.0
275.05511	20.7
287.05484	54.7
299.05460	20.2
305.06622	35.8
307.08176	9.7
317.06635	4.9
351.04849	3.8
393.06024	5.1
405.06100	9.8
415.12357	2.7
423.07190	4.8
425.08435	9.9
435.06857	3.8
441.08148	13.9
443.09708	34.5
476.08896	2.8
485.11206	3.1
548.05017	2.6
567.10712	5.1
609.12158	15.0
611.14056	27.9
651.74286	3.5
747.15356	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	915.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49882	1.7
74.09709	1.9
75.48622	1.7
81.05177	2.0
109.02805	2.2
111.00806	10.2
116.55943	2.0
123.04403	10.0
127.03897	69.5
136.92635	2.0
139.03896	100.0
149.02415	3.3
151.03900	56.0
155.03407	14.6
160.69025	1.9
163.03928	8.6
165.05487	2.5
169.04980	2.1
175.03880	3.5
177.05464	7.5
179.03380	57.9
181.05005	2.6
191.03348	9.4
193.04936	2.2
203.03386	19.2
213.05457	4.0
217.05057	4.3
223.02370	2.9
231.06531	3.0
233.04498	2.3
245.04431	97.7
247.06058	7.7
257.04465	28.7
259.06058	4.5
263.05496	43.5
269.04349	4.2
275.05530	29.3
277.07053	3.6
287.05493	58.5
289.06921	2.2
299.05447	16.1
305.06491	37.1
307.08139	9.5
317.06549	9.1
368.44452	2.2
393.06143	7.4
395.07275	2.8
405.06052	7.7
413.08710	8.3
423.07175	10.8
425.08701	8.8
441.08072	19.1
443.09644	32.8
453.07983	3.2
465.08261	2.4
483.08685	2.4
567.11127	8.8
609.12048	23.6
611.13922	29.3
729.14557	2.1
747.15527	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	916.411
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05476	11.4
94.31895	1.3
103.05470	7.5
119.04939	63.5
131.04907	29.9
131.08546	1.9
133.06502	2.1
134.09644	75.6
147.04401	100.0
165.05443	1.8
167.08533	4.7
169.10063	2.2
179.08569	7.0
180.09338	2.5
181.10097	6.2
189.05481	7.0
191.08559	1.8
192.09267	2.0
193.10143	5.8
194.10907	7.6
195.11676	5.9
204.09335	5.8
206.10899	3.1
207.06520	2.5
207.11668	2.4
209.09598	1.4
209.13255	16.0
210.11243	1.8
219.11774	10.0
221.13190	11.3
222.10455	1.7
237.12730	28.1
239.14262	2.7
249.16513	1.4
250.10677	1.7
252.12280	53.0
281.15341	2.8
297.14859	10.9
331.42636	1.2
334.99719	1.5
337.71460	1.4
339.15854	1.5
341.17465	1.5
367.16797	1.8
401.53937	1.4
429.19632	1.3
507.25497	1.5
530.25366	16.8
548.26178	7.7
590.27405	22.6
634.98621	1.5
650.29773	2.9
678.30725	15.3
738.32794	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07043	3.0
83.04972	7.6
89.00298	3.8
108.29276	3.1
147.11665	16.6
197.23112	3.3
212.40982	3.3
239.04759	6.2
282.27863	3.4
337.02341	63.0
393.08621	31.7
469.11655	15.8
525.18213	18.1
581.24048	19.9
637.30560	100.0
740.15723	4.1
902.14990	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	920.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63567	0.6
67.05438	0.7
69.03426	0.9
71.08628	22.3
77.03915	1.0
79.05498	1.8
79.90022	0.7
80.44532	0.7
81.07054	0.7
83.04976	1.3
91.05476	35.0
92.34048	0.9
93.07042	3.3
95.04955	4.1
97.02895	3.1
99.08084	21.3
105.03388	39.7
105.07027	5.2
106.06537	12.3
107.08594	2.9
115.03963	1.1
116.10718	15.4
118.06529	40.2
119.04935	30.6
119.08591	1.8
121.06480	3.2
121.10076	1.0
123.08084	1.4
129.06984	0.7
131.08559	1.4
133.06509	5.2
133.10100	1.5
136.07570	100.0
143.08536	1.7
145.06522	1.1
147.04405	3.7
149.05949	1.3
149.09605	3.4
151.07463	0.9
155.08572	1.5
157.10056	0.8
159.08026	1.8
161.05917	0.8
161.09621	0.8
163.07576	1.0
165.05487	1.8
165.06892	1.1
169.06438	0.8
169.10173	3.1
171.08049	1.0
173.09644	1.0
177.05769	0.8
177.09128	3.0
178.07800	0.8
179.08597	1.1
181.10043	2.7
182.08142	13.7
185.09654	0.9
187.11212	1.1
192.09235	0.8
193.10107	1.7
195.11742	3.7
197.09566	1.4
199.11243	1.2
205.10173	1.0
206.10959	0.8
207.11722	1.4
209.13182	1.5
211.11238	1.0
213.12688	1.6
219.11525	0.8
220.12740	0.8
221.13223	1.5
223.11189	1.2
223.14902	1.0
225.12669	1.0
227.10606	0.8
230.10887	0.9
234.14857	37.5
235.14784	3.7
237.12715	1.2
238.13576	1.0
248.12027	0.8
249.12675	0.9
253.12302	1.1
253.15948	1.1
255.13770	1.1
262.14377	20.5
263.14169	1.3
269.11758	1.0
279.08713	1.1
280.15402	32.2
281.15421	3.8
291.13684	1.3
309.14868	7.7
327.15991	10.4
369.16711	0.9
394.18616	1.0
431.18399	1.4
491.20181	1.6
509.21716	10.6
588.29205	1.3
620.93817	0.8
728.33893	1.7
788.36603	8.8
805.30780	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	920.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26700	1.9
69.03423	4.6
71.08636	34.2
73.02911	3.5
81.07076	3.3
83.04992	2.4
85.02908	3.0
91.05477	69.7
93.07037	11.8
95.04961	14.3
95.08611	4.7
97.02919	5.7
99.08092	30.7
104.11807	2.4
105.03395	100.0
105.04489	3.9
105.07019	18.1
106.06562	14.3
107.08611	3.7
115.75491	2.1
116.10722	41.5
117.00389	2.0
118.06532	33.2
119.04923	28.5
119.08564	9.5
121.06476	17.3
121.10153	16.7
131.08598	3.3
133.06488	10.1
133.10152	13.1
136.07582	83.4
137.05978	2.2
142.07787	2.9
143.08537	10.5
145.10112	4.9
147.08076	4.5
149.05954	10.9
149.09595	17.1
151.07582	2.3
156.09352	3.7
157.10118	4.4
159.08054	14.4
161.09624	9.6
165.05473	5.4
167.08589	3.2
169.10085	3.5
169.76573	2.4
171.08023	4.9
173.09576	5.2
177.09117	3.0
181.10173	5.7
182.08142	48.4
183.11696	10.7
185.09712	3.2
192.15860	2.4
193.10109	10.2
194.10851	3.6
195.11684	10.9
197.09630	5.0
199.11299	3.8
206.10904	4.0
207.11635	3.4
208.08813	2.3
209.09637	5.3
209.13275	11.5
210.14026	2.8
211.11131	13.9
211.14870	2.6
213.12714	5.0
215.10773	2.6
219.36674	2.7
220.12523	5.0
221.13243	10.4
222.10367	3.7
223.07707	2.6
223.11177	8.7
225.08992	2.7
225.12732	3.1
225.31247	2.4
227.14243	3.8
229.12143	2.6
230.10963	3.6
234.14906	26.1
235.14777	11.2
237.12614	16.9
238.13516	3.2
239.10768	3.2
239.14276	5.4
248.12012	4.9
249.12668	3.2
251.14191	4.9
253.15863	8.5
255.13870	4.5
256.87390	2.4
262.14307	14.7
263.14456	17.7
265.12167	4.7
267.13821	2.6
280.15402	96.4
281.15433	21.5
291.13757	11.2
299.16318	20.5
309.14835	25.3
327.15903	42.0
329.41464	2.3
387.18030	10.0
443.01981	2.4
449.19803	10.9
469.05371	2.6
491.20599	3.1
509.21716	57.7
627.72528	2.6
641.25702	15.9
788.36090	4.8
835.54474	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	920.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47393	1.9
69.03417	3.8
71.08627	34.9
73.02926	18.3
79.05486	2.4
81.03406	3.5
81.07035	4.0
91.04903	3.1
91.05473	64.4
93.07014	14.3
95.04946	14.0
95.08596	3.7
97.02882	7.9
99.08076	28.2
105.03391	93.4
105.07011	15.3
106.06520	12.0
107.08589	3.5
109.06506	4.1
115.03900	2.9
116.10728	40.7
118.06517	27.3
119.04939	29.1
119.08574	5.2
119.77683	2.1
121.06489	14.1
121.10122	21.8
123.08083	3.4
131.08568	8.5
132.99388	2.6
133.06497	15.9
133.10130	16.1
136.07576	68.9
136.18033	2.0
138.54654	2.1
143.08568	9.2
145.06488	2.7
145.10092	10.8
147.04408	7.7
147.08023	11.4
149.05980	11.5
149.09612	20.6
151.07507	3.9
155.08534	4.7
156.11749	2.3
157.10162	3.7
159.08009	13.1
161.09605	10.5
161.21873	2.5
165.05472	4.5
165.07074	2.2
167.08614	3.1
169.10098	10.5
171.08009	2.7
173.09639	9.9
177.09027	2.8
179.08517	3.2
181.10153	4.7
182.08134	38.6
183.11671	11.1
185.09637	4.5
187.07578	2.7
187.11168	8.9
193.10101	13.6
194.10820	2.6
195.11720	11.2
196.08922	2.5
197.09645	4.8
197.13246	3.1
199.11115	8.1
199.37094	2.3
206.10902	3.6
207.11679	10.4
209.09642	3.9
209.13147	3.9
211.11145	13.3
213.12605	3.8
219.11870	3.2
220.12466	8.6
221.13235	8.7
223.11185	11.5
225.09047	2.9
225.12749	5.1
233.09502	2.7
234.14883	22.0
235.14865	4.4
237.07478	2.7
237.12752	13.5
238.13318	2.8
239.14275	4.5
245.13286	4.9
248.11919	10.6
253.15855	8.2
255.13708	3.0
262.14282	16.8
263.14288	4.9
265.12198	3.4
266.12900	3.0
269.15259	2.5
279.13745	3.3
279.67868	2.3
280.15399	100.0
281.15372	23.2
291.13815	8.4
299.16422	20.5
309.14926	22.1
327.15961	32.8
348.73892	2.2
369.99039	2.1
387.18027	15.7
449.19382	9.1
491.20651	2.4
509.21735	52.2
641.26019	10.7
665.75067	2.3
846.48560	2.2
918.08740	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	921.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.3
91.05482	2.6
95.04954	5.9
107.04951	58.7
111.04398	1.6
119.04935	99.5
121.02873	12.2
123.04427	17.4
125.02342	2.1
125.05972	2.9
133.06494	2.5
135.04407	2.5
137.06012	11.8
139.03879	2.9
141.05424	16.0
147.04396	55.6
153.05460	68.8
159.29620	1.2
161.05920	2.8
163.03886	25.2
165.05481	34.0
171.04382	2.3
177.05498	1.3
181.04964	25.0
181.06459	4.6
182.07231	2.0
185.06009	2.0
193.04947	2.1
213.09114	6.1
217.08502	2.2
223.07457	1.5
226.06282	1.4
227.07082	8.4
229.08624	10.0
241.08539	26.0
245.08098	31.2
257.08096	6.2
259.06042	2.4
259.09613	10.9
269.08099	19.1
273.07462	4.4
287.05954	3.5
287.09106	100.0
303.08664	2.6
380.19403	1.4
407.07742	1.2
571.12280	2.0
599.11786	2.0
641.65918	1.3
647.13367	1.9
739.16223	5.4
767.15283	2.0
769.17346	2.2
785.17139	21.2
921.22314	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	921.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	1.1
65.78632	1.0
72.40991	1.2
91.05456	5.3
94.26012	1.2
95.04951	4.2
103.96997	1.0
107.04956	60.5
108.75887	1.0
111.04430	1.3
119.04935	86.7
121.02878	8.9
123.04453	10.0
125.02352	4.2
125.05966	1.0
133.06459	2.2
135.04453	1.8
137.02357	31.8
137.03404	2.6
137.05966	8.2
139.03899	1.8
141.05450	9.0
145.06433	1.9
147.04408	63.3
153.05460	28.2
161.05959	2.0
163.03903	21.4
165.05464	23.9
171.04390	1.3
179.03389	5.3
181.04982	27.4
181.06491	4.9
183.08063	1.1
185.06010	1.9
189.05394	1.8
191.03409	4.5
193.04974	1.7
198.91560	1.2
209.05988	2.4
213.09122	9.3
217.08586	1.6
219.02911	1.8
223.02425	2.2
226.06290	2.3
227.07060	8.5
229.08609	6.7
231.02856	1.2
237.05649	1.4
241.08612	21.0
245.08076	42.5
255.06424	2.0
257.08090	4.1
259.02344	1.3
259.09583	13.7
262.16202	1.2
269.08072	21.6
271.05978	2.3
273.07565	2.1
283.06061	4.4
285.07547	10.0
287.05661	8.5
287.09109	100.0
297.03946	4.7
298.04819	2.4
301.07181	1.5
303.08527	5.2
311.05405	1.3
313.07169	5.9
315.04938	4.2
321.09381	1.1
324.02689	1.7
325.03418	6.8
329.06555	5.1
339.05072	6.3
343.04346	2.3
343.08188	1.6
347.09314	3.9
357.06076	7.9
361.07141	1.9
362.07870	6.7
365.10236	4.1
375.08682	1.3
378.07516	1.3
379.08099	2.1
393.09662	73.4
400.42596	1.2
405.09790	2.4
406.06781	11.4
421.09155	50.2
423.10687	3.8
434.06464	2.5
435.10883	9.4
465.08072	14.7
476.41324	1.3
547.72229	1.2
583.12067	1.6
601.13428	94.4
617.13232	1.5
649.15173	4.7
739.16193	2.0
753.18121	2.0
785.18939	10.4
921.20416	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	921.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
92.18511	2.8
95.04964	1.7
105.04583	1.3
107.04958	51.7
108.42881	1.5
119.04940	75.3
121.02878	5.4
123.04452	11.4
125.02361	2.5
133.06557	2.4
134.61552	1.3
137.02321	17.0
137.05969	3.0
141.05466	10.4
145.06525	2.4
147.04405	60.7
153.05458	22.0
161.05984	1.6
163.03889	18.0
165.05450	19.8
171.04414	1.9
179.03461	2.8
181.04973	28.3
181.06491	4.9
182.07193	1.6
185.05893	1.4
189.90598	1.5
191.03406	2.1
213.09102	6.7
227.07080	8.0
229.08672	5.3
241.08580	28.2
245.08066	23.1
257.08105	2.0
259.09695	7.6
269.04880	1.9
269.08044	22.3
273.07440	2.8
285.07574	7.8
287.05676	10.2
287.09097	100.0
303.08676	5.4
311.05481	2.9
313.07019	2.2
315.04913	1.7
325.03491	5.5
329.06564	3.2
339.04916	1.9
343.04703	2.1
347.09039	2.5
357.05972	1.6
393.09674	54.1
406.06683	10.2
421.09116	39.5
434.06241	1.9
435.10925	2.6
465.07916	9.1
601.13385	43.2
649.15521	2.1
783.32147	1.6
785.19647	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	922.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80357	0.5
66.98869	0.6
81.03371	0.6
82.26301	0.6
83.04983	100.0
86.38934	0.7
88.47396	0.6
91.05460	5.3
93.07023	0.9
95.04959	1.3
97.02896	0.6
100.07622	22.3
105.03399	12.7
105.07027	3.1
106.06531	3.2
118.06577	2.0
118.26935	0.6
119.04913	2.1
119.86266	0.6
121.06505	1.3
121.10133	1.0
133.06462	1.3
133.10046	1.0
136.07574	3.5
143.08575	0.7
145.10052	0.7
147.04462	0.6
147.08038	0.8
149.09621	1.2
151.07632	0.7
157.10075	0.9
161.09621	0.9
169.10153	2.3
175.11055	0.7
179.08594	0.6
183.11580	0.8
193.10059	0.8
195.11703	1.1
206.11024	0.9
211.11189	1.2
218.11768	4.8
223.11124	1.1
225.12787	0.7
239.14320	1.0
246.11156	2.8
247.09703	2.9
248.43146	0.6
253.15958	0.8
264.12292	55.2
267.13715	0.7
281.15268	1.5
301.08450	0.7
309.14737	1.1
327.15909	2.1
345.17023	0.8
359.86096	0.7
368.15005	0.9
509.21472	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	922.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90891	2.0
71.08626	30.9
74.97194	2.2
77.91535	2.3
79.97070	2.2
80.89082	2.2
84.41875	2.3
87.22930	2.2
89.06580	2.4
91.05479	61.2
99.08096	35.6
105.03387	15.3
105.40533	2.7
106.06530	4.3
116.10712	42.7
118.06522	12.8
119.04924	17.2
123.07979	3.8
130.39865	2.8
133.10085	3.0
136.07561	27.1
147.04417	4.7
165.05452	4.2
169.90179	2.8
182.08109	50.9
214.60770	2.5
234.14891	10.3
262.14343	3.4
280.15417	100.0
288.38422	2.8
307.99994	2.8
311.16513	4.4
318.19910	2.6
321.61179	2.8
329.17581	4.1
794.72406	3.4
825.89752	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	922.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64770	0.8
67.05518	1.0
69.03430	7.9
69.07068	49.7
71.05006	0.9
73.02921	1.0
81.03423	4.1
82.80713	0.8
85.02907	100.0
87.04450	1.0
91.03944	4.0
93.07034	1.0
97.02889	22.2
99.04461	3.5
103.03953	1.7
105.45361	0.8
109.02869	10.4
111.11719	24.7
115.03973	0.9
127.03909	32.2
145.04951	40.0
163.05989	12.3
183.79152	1.0
255.15848	2.1
273.16965	3.5
289.09036	1.3
325.11264	17.8
470.25928	14.1
551.77002	0.8
564.36743	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	923.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
78.44637	0.6
80.25012	0.6
82.77921	0.7
91.05470	3.4
94.04216	0.6
95.04956	1.6
99.99207	0.6
107.04955	53.0
111.04439	1.1
115.45969	0.8
119.04937	87.3
121.02868	3.7
123.04407	9.0
125.02352	4.1
133.06496	1.3
135.04431	1.1
137.02377	0.7
137.05981	7.1
139.03894	3.0
140.04648	0.7
141.05461	10.9
145.06496	4.2
145.93394	0.7
147.04408	64.4
151.03923	0.9
153.05461	11.9
161.06001	2.7
163.03906	21.2
165.05469	20.9
165.06921	0.9
171.04372	5.0
179.03392	1.5
181.04970	25.2
181.06471	3.6
182.07281	1.4
185.05937	1.2
189.05431	1.3
193.04913	1.6
199.07433	1.4
209.06145	0.9
210.06813	0.9
213.09106	8.4
217.05092	1.2
217.08629	1.3
219.02905	0.8
226.06287	1.5
227.07028	7.2
229.08574	5.1
237.05594	1.0
241.08557	23.6
242.05779	1.2
245.08069	66.9
249.07721	1.1
255.06374	1.0
257.07983	3.2
259.09671	10.8
269.08069	18.0
269.10745	1.2
271.05963	1.6
273.07559	0.8
275.05347	1.1
285.07529	2.7
287.09125	100.0
289.07175	2.8
301.07010	2.9
307.11642	0.7
311.05685	1.0
317.06635	0.8
329.06528	4.6
351.08615	1.1
390.07361	2.7
393.56842	0.8
395.11359	1.5
405.09686	1.6
406.06821	0.8
409.09253	4.0
421.09085	1.2
423.10742	1.6
427.09976	1.3
439.10214	1.0
449.08649	4.1
467.09705	0.9
497.11060	0.8
603.14819	4.2
637.15167	3.0
741.18298	6.1
787.18652	12.4
788.94220	0.8
923.23322	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	924.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	1.4
79.05505	1.1
81.13136	0.8
85.06538	37.2
91.05479	81.3
93.07067	3.1
95.04966	5.5
97.02882	1.5
102.09183	58.5
103.05461	1.5
105.03387	31.3
105.07014	4.5
106.06557	11.2
107.08568	1.3
109.06516	1.2
118.06545	12.0
119.04940	25.9
119.08564	1.9
121.06496	4.7
121.10146	3.8
133.06459	3.7
133.10091	3.4
135.08023	1.1
136.07576	32.6
143.08539	1.3
145.06444	1.2
147.04388	10.6
147.08081	1.2
149.05963	1.3
149.09612	1.6
151.07564	1.2
161.09598	3.7
165.05484	6.1
169.10152	1.5
171.11652	1.0
182.08119	58.9
183.11752	1.3
195.11642	3.8
199.11172	1.1
206.10887	1.5
207.11702	1.2
209.09682	1.0
209.13434	1.5
211.11156	3.5
211.31067	1.0
220.13362	10.8
223.11267	1.5
235.14879	1.4
237.72520	1.0
238.13203	1.1
239.10674	0.9
248.12746	6.0
249.10979	1.7
263.14346	1.4
266.13858	100.0
266.29202	1.0
281.15350	2.1
286.85236	1.0
299.16443	1.4
304.92682	1.1
309.14847	4.7
327.15918	6.6
345.17062	1.9
346.48248	0.9
370.16583	1.3
387.17999	1.4
509.21860	1.7
659.26178	1.2
880.01428	1.0
902.48206	1.0
935.89355	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	925.6031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.7
67.13504	0.5
68.58212	0.5
69.07060	2.6
79.05484	2.3
81.07056	42.9
85.06548	0.6
93.07008	0.8
95.08598	1.0
97.06515	0.9
99.08089	33.8
107.08587	5.1
109.10150	9.5
121.10208	0.7
123.11675	0.7
125.09627	16.4
127.11179	2.4
131.08548	0.7
133.10103	0.7
143.08562	0.8
143.10670	4.6
145.10117	3.5
147.11671	0.8
157.10103	1.0
169.10048	1.1
171.08041	0.7
171.11688	0.8
173.09637	2.6
173.13129	0.7
175.11208	0.7
181.10193	1.1
185.13249	1.0
189.09116	0.8
191.10623	1.1
195.11649	2.3
197.13261	4.5
199.14914	0.8
201.12802	0.7
207.11736	2.4
209.13368	1.2
211.14842	0.9
213.12691	1.1
215.14189	0.8
221.13226	1.4
223.11053	2.3
225.12701	2.9
227.14317	2.5
235.14775	1.0
237.16312	2.6
239.14259	0.9
247.14856	1.4
251.14082	0.7
253.15842	1.1
253.19443	1.4
263.14365	0.9
263.18042	1.1
265.15887	4.9
267.17490	2.8
281.19040	0.7
283.16922	13.7
285.18472	1.0
293.19055	0.6
299.16513	2.8
301.17953	100.0
302.18829	1.3
303.19601	6.0
307.06622	0.6
311.20078	2.9
325.18060	0.8
329.21109	9.4
335.20178	0.8
341.20667	0.7
353.21259	5.7
354.21625	0.8
371.22330	0.8
391.26431	1.3
409.27313	11.6
427.28391	24.9
445.29489	9.4
463.30521	93.1
664.97253	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	926.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.2
73.02905	0.4
77.03914	0.5
79.05482	1.9
81.07043	0.3
82.88412	0.3
85.02895	0.4
91.05470	7.0
93.07041	1.7
95.04965	4.5
95.08609	0.3
97.02885	1.3
99.42046	0.3
105.03393	100.0
105.04535	2.6
105.07024	3.0
106.06566	0.5
107.03011	0.3
107.08584	1.5
109.06547	0.4
117.07010	0.4
118.06539	11.6
119.04938	4.4
119.08556	1.2
121.06496	1.1
121.10144	0.6
122.06023	18.2
129.06978	0.3
131.08557	1.2
131.50543	0.3
133.06538	2.1
133.10159	1.0
135.08060	0.7
141.07069	0.4
143.08549	0.4
145.06529	0.4
145.10078	0.4
147.04451	1.3
147.08083	0.5
149.05974	0.6
149.09615	1.3
151.07512	0.3
155.08572	0.3
159.08037	1.3
159.11574	0.4
161.09596	0.3
165.06940	0.3
166.35303	0.3
169.10147	0.6
171.08070	0.4
173.09688	0.4
175.07507	0.5
176.37762	0.3
177.09146	1.3
178.07796	0.3
179.08589	0.7
181.10106	0.5
183.11682	0.4
187.07570	0.5
192.09428	0.4
193.10168	0.6
195.11725	0.6
197.09615	0.5
205.10129	0.4
206.11031	0.3
207.11723	0.4
208.08823	0.6
209.09683	0.5
209.13283	0.5
210.09131	0.7
211.11176	0.5
213.12856	0.4
220.12312	0.3
221.09576	0.3
223.11212	0.7
230.06813	0.3
230.11124	0.3
233.09703	0.3
235.14783	0.6
237.12701	0.6
239.10728	0.4
239.14262	0.6
240.10168	15.2
241.12146	0.3
242.88187	0.3
247.11037	0.3
248.12155	0.5
249.12556	0.4
251.10738	0.5
253.12450	0.4
253.15926	0.6
263.14273	1.3
265.16034	0.3
268.09668	8.1
279.08636	1.1
281.15338	1.5
286.10718	15.3
291.13739	0.5
309.14871	2.9
327.15906	4.9
339.81470	0.3
345.17014	1.2
372.12262	0.4
387.17926	0.5
390.13559	0.4
400.14261	0.4
449.19522	0.5
491.20700	1.2
509.21695	3.3
566.97284	0.4
594.24683	0.5
734.29407	0.6
794.31567	1.9
805.30487	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	926.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	1.5
73.02915	1.5
78.88462	0.6
79.05496	1.0
81.07020	1.0
85.02918	0.7
91.05471	9.8
93.07029	3.6
95.04948	3.8
97.02872	1.0
105.03392	100.0
105.07025	5.0
114.45605	0.6
115.03867	0.8
118.06536	8.2
119.04921	3.5
119.08596	2.7
121.06490	2.9
121.10139	4.7
122.06025	24.5
128.06200	0.9
131.08559	1.5
133.06470	4.0
133.10149	3.0
143.08583	3.0
147.04301	0.9
147.08060	1.3
149.05968	1.2
149.09599	3.9
153.76094	0.8
155.08623	0.9
159.08043	1.6
161.09630	1.5
169.10162	1.4
171.08047	1.0
171.11780	1.1
172.08827	0.8
173.09644	1.4
177.09001	0.9
181.10054	1.7
183.08095	0.9
183.11668	1.7
185.09608	1.2
187.11179	1.0
193.10149	3.1
195.11671	1.5
197.09604	1.4
199.11188	0.7
206.10925	1.5
207.11627	1.3
209.09628	1.2
209.13271	1.7
211.11197	3.2
211.14789	1.0
215.10753	0.9
219.11685	0.9
220.12489	1.3
221.13252	1.1
223.11131	1.6
225.12682	1.4
227.14273	0.9
235.14813	3.5
237.12708	3.0
239.10680	0.8
239.14160	1.1
240.10164	8.2
248.11948	1.5
253.15887	3.1
255.13852	1.7
263.14276	4.2
265.12115	0.9
268.09723	1.6
281.15408	5.1
286.10760	23.4
291.13849	1.3
299.16400	4.5
309.14865	5.2
327.15854	9.5
345.17093	0.9
359.18655	1.3
369.17175	1.0
387.17920	3.5
449.19397	1.0
491.20749	1.2
499.98392	0.7
509.21655	13.9
575.49280	0.7
641.25745	3.0
811.83478	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	926.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.2
73.02904	4.2
74.05702	0.7
79.05496	1.8
81.07044	1.3
81.44491	0.9
90.34592	0.7
91.05466	9.0
93.07049	3.6
95.04957	5.1
95.08589	0.9
97.02900	0.9
105.03393	100.0
105.07040	5.4
107.08591	1.6
109.06509	1.6
115.03963	1.3
118.06533	6.5
119.04938	3.8
119.08530	1.9
121.06502	4.9
121.10126	4.2
122.06027	28.0
122.20213	0.8
123.08064	0.8
125.40368	0.7
128.79379	0.9
129.07109	0.9
131.08549	1.9
133.06473	3.6
133.10161	3.0
135.08061	1.1
143.08607	3.1
145.10072	0.8
147.04449	0.9
147.08043	3.4
149.05923	3.5
149.09616	4.9
155.08556	1.4
159.08052	4.3
161.05939	0.8
161.09601	4.8
169.10167	1.6
171.11572	0.9
173.09628	3.2
178.09009	0.8
181.10062	1.1
183.11600	1.9
183.32028	0.9
185.09637	1.2
187.11099	1.0
192.09549	0.9
193.10100	3.8
194.10876	1.0
197.09586	1.7
199.11211	1.3
206.10928	1.4
206.49426	0.8
207.11673	1.7
208.08862	0.9
209.09596	1.9
209.13161	1.8
211.11163	3.1
213.12776	0.9
220.12584	2.1
222.10274	0.9
223.11119	1.6
225.12750	1.1
230.10883	1.2
233.13235	1.4
235.11163	0.9
235.14761	1.0
237.12741	1.5
239.14415	1.1
240.10164	8.7
249.12828	1.1
251.10724	1.0
253.15869	1.9
263.14453	3.2
265.12238	1.1
268.09674	4.5
281.15387	5.2
286.10730	22.2
297.14865	0.9
299.16434	4.6
309.14914	6.8
327.15976	11.2
361.68771	0.8
387.17944	3.6
449.19733	3.1
509.21649	13.5
641.26013	3.0
643.17590	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	927.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
92.17815	1.0
151.85527	0.9
176.47101	0.9
299.77374	0.9
345.86472	0.9
363.08936	36.0
365.10803	1.8
475.21478	100.0
875.36639	1.1
927.65973	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	928.375
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	2.1
87.82487	1.5
91.05495	12.0
93.07077	1.4
95.04971	2.3
105.03391	100.0
118.06541	2.5
119.04887	6.7
121.83150	1.4
122.06023	58.0
123.08051	1.6
133.10063	1.3
136.07518	1.6
164.32407	1.4
240.10170	3.2
260.33838	1.7
268.09683	2.4
270.66827	1.4
286.10706	37.5
311.16431	2.1
314.44424	1.7
450.50198	1.6
539.45422	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	929.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.9
69.07058	0.5
81.07048	1.6
83.08604	1.5
91.01842	0.3
91.05442	0.5
93.07023	0.7
95.08594	3.2
97.73412	0.3
105.07027	0.6
107.08573	2.3
109.10151	18.6
109.10903	0.7
113.09637	3.9
116.53574	0.3
119.08559	1.9
120.07692	0.3
121.10140	5.6
123.11697	4.7
125.09617	0.5
131.08527	0.5
133.10161	1.3
135.11670	2.6
137.09610	1.4
139.69278	0.4
141.90013	0.4
145.10136	8.0
147.11684	9.6
148.56079	0.3
149.13217	1.3
151.11079	0.4
153.34969	0.3
155.08522	0.5
157.10098	0.8
159.11681	9.0
161.13222	3.4
162.89885	0.3
163.11185	3.0
169.10097	0.5
171.11694	0.7
173.13249	4.4
175.11176	18.5
175.14763	0.6
177.12720	1.7
183.11662	1.6
185.13242	2.1
187.14775	3.7
189.12679	0.5
197.13322	3.1
199.14807	3.5
201.12717	0.6
201.16379	2.0
203.14322	0.5
211.14789	4.7
213.16408	0.6
215.14316	1.5
225.16418	1.7
227.17987	2.6
229.15854	5.1
229.19504	0.4
239.17749	0.4
241.19505	0.5
243.20981	4.7
257.22607	5.0
267.21054	22.3
285.22119	100.0
514.65698	0.4
646.56531	0.4
701.23267	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	931.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	8.6
85.02915	13.0
111.04427	1.6
121.53784	1.3
135.04385	2.2
139.03900	24.4
153.01833	48.8
161.67743	1.5
163.03891	54.0
166.28767	1.4
169.04460	1.9
177.05443	3.5
179.03406	2.7
181.05031	2.9
187.03894	2.2
205.04927	12.2
228.43941	1.7
229.05197	4.4
231.06523	1.8
245.04524	1.8
246.77568	1.5
249.07549	2.6
257.04498	9.3
261.03983	8.8
262.04700	2.2
263.06668	1.5
267.08737	2.3
273.03915	6.4
275.05276	2.1
277.03458	3.0
285.04123	2.3
285.09659	2.3
287.05515	2.1
300.32162	1.5
301.03427	100.0
313.03397	2.0
325.03488	3.3
327.05035	2.9
329.02835	3.3
340.58484	1.4
353.02991	6.8
375.05151	2.9
391.04532	1.8
393.05960	3.0
403.04477	8.0
409.05698	2.3
421.05453	12.5
431.03958	5.6
437.04886	7.5
443.05930	6.4
449.04907	10.3
453.04163	1.7
455.06036	19.3
467.06000	6.3
485.07092	31.3
546.21997	1.4
605.09271	50.8
617.09149	2.5
623.10303	33.7
629.09149	8.4
647.11084	6.0
671.10089	8.4
689.11359	2.3
697.11389	1.9
713.10468	2.2
715.12146	5.6
773.88379	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	933.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	9.4
69.29254	8.9
77.38747	7.3
81.07041	12.0
85.02905	8.4
92.18527	10.2
97.02857	13.2
312.47144	8.9
392.60461	8.4
407.03986	8.2
428.18253	9.9
609.44977	100.0
771.50012	48.0
880.20398	12.6
933.54645	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.6239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	2.4
69.07069	2.7
70.40161	1.6
71.11938	1.6
74.99700	1.8
81.07058	3.9
85.10178	1.7
93.07031	2.8
95.08606	83.0
106.38050	1.9
107.08574	10.8
109.10122	3.2
111.08071	2.5
112.70338	1.9
113.09646	50.6
121.06626	2.0
121.10130	18.9
123.11700	4.0
124.25724	1.9
127.49780	1.7
128.97411	1.7
139.11176	21.0
141.12724	2.5
145.10135	2.3
147.08011	1.9
157.12126	5.2
173.09608	3.8
173.13268	2.9
183.11772	2.5
189.09122	8.3
191.10646	4.4
193.10257	2.7
197.13199	8.0
199.14937	1.8
201.12900	2.6
207.64803	2.1
223.11121	2.3
225.12714	6.8
235.14644	2.3
241.15746	2.1
255.17392	2.9
265.15872	4.2
267.17548	2.4
275.17899	2.4
281.15292	2.1
281.18857	2.2
283.16943	18.3
293.19040	2.6
299.16415	4.1
299.20038	4.1
301.17969	100.0
302.18884	3.4
303.19623	11.9
311.19937	3.8
317.21118	10.7
329.21066	13.4
339.19888	2.6
353.21011	9.6
371.21808	2.9
423.29037	6.6
426.27600	3.5
441.29910	51.7
459.31030	82.7
477.32132	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	48.8
71.08639	4.8
72.08149	5.4
91.05486	82.4
92.18520	6.8
92.54794	4.3
105.03386	15.8
106.06585	6.0
108.62587	4.2
114.09160	52.5
118.06522	6.9
119.04942	30.1
136.07610	29.8
145.09879	4.0
147.04439	3.9
165.05345	5.6
182.08098	34.1
232.13559	4.8
264.00034	4.0
275.04443	3.5
278.13873	100.0
327.15833	3.8
405.18939	4.3
950.39197	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	937.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45454	1.4
72.12867	1.3
73.12547	1.3
73.90255	1.4
91.05473	3.0
95.04962	1.6
107.04955	67.5
117.81349	1.7
119.04937	97.2
121.02847	11.1
123.04422	11.0
125.02338	7.7
127.41834	1.5
133.06491	3.5
135.04379	2.1
137.05978	9.5
139.03882	3.1
141.05495	11.3
147.04407	71.8
153.01807	28.5
153.02895	1.9
153.05461	34.0
161.05914	2.2
163.03873	20.2
165.05443	27.7
170.16022	1.5
171.04391	2.9
179.03442	2.7
181.04968	31.4
181.06473	5.5
182.07234	1.4
187.12341	1.4
191.03377	7.0
193.04904	2.3
193.15271	1.4
198.06934	1.7
207.02975	1.7
209.06013	1.7
213.09108	6.7
219.02765	1.6
227.07013	7.7
229.08574	6.0
241.08565	25.9
245.08041	43.5
257.08032	5.0
259.09607	13.1
269.08072	23.2
271.06003	2.2
273.07532	6.1
283.05991	2.0
285.07584	21.0
287.09109	100.0
297.04016	3.4
298.04654	3.0
301.07248	2.6
303.05017	7.0
303.08429	2.8
311.05374	3.4
312.06375	2.8
313.07056	9.4
315.08478	1.8
321.09821	2.4
324.02750	1.7
325.03421	5.9
329.06516	3.3
331.04440	2.5
332.04404	1.4
339.05072	2.4
343.04379	2.8
357.06058	9.1
363.08704	2.4
367.04138	1.9
377.06586	3.1
378.07263	7.1
381.09787	6.3
391.08231	2.7
393.05624	1.5
394.06912	1.6
409.09122	48.6
421.09161	5.1
422.06180	8.7
435.10672	9.2
437.08667	53.1
439.10428	2.2
450.05768	6.5
465.08337	1.8
481.07114	10.0
617.12860	94.6
649.15570	6.5
785.20477	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02903	2.5
85.02913	2.5
91.03924	2.5
95.08624	3.1
123.10670	2.0
195.68710	2.2
198.97519	2.8
243.08235	2.8
405.13907	2.8
497.31042	3.8
519.29443	2.5
659.35413	3.8
681.34106	3.9
937.58655	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	938.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08636	29.1
91.05476	78.8
92.18423	1.3
93.61662	1.3
99.08088	28.6
105.03382	20.3
105.07051	2.6
106.06556	9.8
107.08561	1.3
116.10725	47.5
118.06532	9.6
119.04942	20.0
120.08063	1.3
121.06470	1.4
121.10086	1.9
133.06494	2.2
133.10083	1.9
136.07567	20.9
146.75082	1.4
147.04408	5.8
149.09613	1.8
159.07993	1.6
165.05418	5.8
169.10051	1.2
182.08122	50.0
234.14859	7.0
235.14803	1.4
239.14494	2.0
248.11990	1.4
262.14380	5.0
280.15408	100.0
281.15329	2.0
309.14740	1.6
327.15921	2.6
345.16888	2.6
428.69244	1.3
454.04633	1.5
509.21701	2.0
616.69299	1.3
772.55884	1.3
897.08386	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	940.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04980	100.0
90.13737	1.5
91.05470	8.2
93.07032	1.7
95.04981	1.8
100.07605	26.1
105.03395	29.5
105.07041	18.8
107.08569	1.6
118.78844	1.6
119.04956	2.5
119.08575	2.1
121.06486	7.1
121.10139	6.6
125.01561	1.5
133.06418	5.2
133.10094	3.4
135.08104	1.8
136.07610	3.2
147.08067	3.1
149.06021	1.9
149.09589	7.2
151.07626	2.1
159.08054	1.8
177.09145	2.2
218.11635	2.6
240.49954	1.7
247.09747	2.9
264.12311	64.7
277.37048	1.7
299.16083	2.1
309.14999	2.1
344.40076	1.5
449.19598	3.5
473.32828	1.7
491.20544	3.3
509.21509	9.0
641.26215	2.0
739.98602	1.5
931.51221	1.8
971.32275	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	943.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.9
69.07072	2.0
81.07060	33.0
85.93230	0.8
88.57933	0.8
95.74124	0.8
97.06464	0.8
99.07486	1.4
99.08086	26.2
107.08598	5.7
109.10163	4.6
119.08575	0.9
121.10086	0.8
123.08063	1.3
125.09624	15.6
127.11168	1.5
143.10675	4.7
145.10176	1.3
157.09998	0.8
159.08090	0.8
165.12599	1.1
171.07999	0.8
173.09605	1.0
175.11246	0.8
179.60184	0.8
189.09204	1.2
191.10680	0.9
195.11508	0.8
197.13252	3.5
213.12784	1.3
225.12708	1.7
227.14105	0.8
235.14914	1.3
237.16469	1.1
239.14326	1.0
253.19646	0.9
255.17471	0.9
265.15851	3.8
267.17172	1.1
283.16931	14.3
285.18378	1.0
299.16531	1.5
301.17969	79.4
303.19507	8.0
311.19958	3.1
317.18799	1.1
329.21066	10.8
335.20300	1.5
353.21228	6.1
371.22147	4.1
409.27197	8.6
427.28482	23.8
445.29465	10.4
463.30518	100.0
958.38348	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	944.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.7
72.54198	0.4
72.57247	0.5
77.03899	0.7
79.05494	4.3
82.60431	0.5
91.05473	13.1
93.07045	1.0
95.04949	4.2
95.08598	0.8
97.02869	0.4
105.03395	100.0
105.04526	2.8
105.07030	2.6
105.60306	0.5
106.06554	0.9
107.08602	1.7
118.06528	4.2
118.84702	0.4
119.04942	2.7
119.08561	0.7
121.06513	2.0
121.10168	1.8
122.06026	46.6
123.04369	0.5
123.08079	0.5
131.08565	0.9
133.06497	0.7
133.10123	0.7
135.08060	0.8
135.54558	0.5
136.07571	0.8
141.78047	0.4
147.04424	0.5
147.08052	0.6
149.06021	1.1
149.09628	0.9
151.07579	0.9
157.10184	0.7
159.08086	1.0
161.09682	0.8
169.10123	0.6
183.11685	0.6
184.32133	0.5
184.86990	0.5
185.09525	0.6
187.11198	0.6
195.11726	0.7
207.11815	0.5
209.13515	0.5
211.11237	1.8
223.11232	0.7
235.14687	0.7
239.14365	0.6
240.10120	5.7
241.12263	0.5
249.12749	0.5
253.15891	0.5
268.09671	3.4
281.15497	2.2
286.10730	43.6
299.16400	0.7
309.14948	2.2
327.16010	3.7
345.16989	1.1
387.17996	1.8
390.13519	0.9
431.19321	0.5
449.19476	0.7
509.21643	1.9
659.26831	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	948.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
76.35117	1.7
79.05487	8.1
81.07054	50.5
82.93444	1.7
83.08624	7.0
83.55167	1.6
84.08136	13.7
89.49960	1.9
91.04912	2.0
91.05479	57.7
93.07034	2.5
95.04956	2.6
105.03399	30.8
105.04462	2.0
105.07011	4.4
109.06525	15.4
112.06836	2.0
118.06542	8.5
119.04913	11.4
126.09151	24.6
133.06490	3.0
133.10123	2.1
136.07582	15.9
137.58684	2.0
140.70558	1.7
143.08473	1.8
147.04413	2.1
151.07620	2.6
181.10092	2.3
182.08209	15.5
182.09521	2.1
244.13322	11.2
263.14340	2.2
272.12744	4.2
290.13834	100.0
300.58493	2.1
309.14850	3.6
327.15952	2.7
394.16498	4.5
479.50531	2.1
509.21362	2.3
715.77917	2.1
771.54486	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	952.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10085	1.2
85.10181	27.4
88.07610	1.3
89.37883	1.1
89.82287	1.1
91.05473	85.2
93.07030	2.1
95.04929	2.7
95.08587	1.7
96.96280	1.0
97.02861	1.1
103.05514	1.3
105.03387	30.3
105.07025	2.4
106.06551	10.2
107.08605	1.5
109.97258	1.1
113.09634	23.8
118.06533	10.8
119.04932	23.2
119.08537	1.6
120.35687	1.1
121.06433	1.6
121.10064	1.8
123.08047	1.3
130.12267	51.5
131.04929	1.3
133.06520	1.8
133.10168	1.2
135.08098	1.5
136.07570	24.8
143.08498	1.4
147.04395	7.0
149.05946	2.4
159.11725	1.3
161.09586	1.4
165.05447	6.4
165.06897	1.2
171.07930	1.2
173.09639	1.2
181.10205	1.3
182.08118	54.6
193.10136	1.5
195.11636	2.0
199.11174	1.3
206.10982	1.2
211.11064	1.4
223.11108	1.3
248.16444	8.8
263.14407	1.7
276.15897	5.7
281.15353	2.2
294.16965	100.0
299.16394	1.2
307.28134	1.2
309.14853	4.9
327.15851	5.5
351.03583	1.3
368.81647	1.2
387.18011	1.2
509.21405	2.9
667.26672	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	952.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23511	0.7
71.08640	8.4
81.05389	0.7
88.07600	0.8
91.05479	34.2
92.17836	1.7
93.06996	2.8
95.04974	1.5
95.08650	0.9
97.02897	0.8
99.08099	7.6
99.43375	0.7
99.50632	0.8
103.05444	1.5
103.30066	0.7
105.03388	15.8
105.07009	3.0
107.08571	1.3
119.04949	8.1
119.08540	1.0
120.08107	16.3
121.06493	3.9
123.04346	0.9
123.08047	0.9
130.12277	100.0
131.08545	1.0
132.08105	12.1
133.06540	1.0
133.10149	1.4
141.56447	0.8
144.71548	0.8
145.10178	0.9
147.04456	1.6
150.09155	11.4
157.10201	0.9
159.08028	1.3
161.09595	1.0
169.10188	1.3
173.09621	0.9
178.08696	1.3
193.10139	1.2
195.11740	1.2
196.09703	41.2
210.10411	0.8
211.11261	1.0
220.12440	0.8
221.13225	1.3
221.20633	0.8
248.16463	8.1
254.07001	0.8
276.15900	14.4
281.15210	1.2
294.16998	61.2
309.14645	1.1
327.15863	4.3
345.16815	1.3
369.17310	0.8
509.21725	0.9
737.85522	1.0
802.37335	4.0
917.76556	0.8
962.46393	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	952.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71834	1.4
71.04967	1.5
71.08628	24.5
85.02888	3.2
88.66464	1.6
91.05477	82.4
91.48393	1.4
95.04973	2.6
99.08100	30.9
105.03400	22.5
106.06586	11.5
115.85080	1.4
116.10724	51.5
118.06529	9.7
119.04932	18.3
121.06475	2.3
122.49724	1.3
131.08655	1.6
136.07567	24.6
143.43419	1.6
147.04404	5.2
149.09569	1.8
155.73125	1.4
165.05481	3.3
182.08113	49.7
207.61966	1.5
234.14941	8.3
262.14319	2.7
280.15421	100.0
327.15881	2.9
424.46219	1.5
447.15677	1.6
509.21338	3.1
811.84375	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	953.6341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	2.8
69.07063	1.9
72.70977	0.4
81.07040	2.5
83.08581	2.4
85.10143	0.8
88.34946	0.4
93.07019	1.1
95.08598	43.4
97.10148	0.9
104.77090	0.5
105.07026	0.6
106.69141	0.4
107.08586	1.1
111.08053	2.4
111.11674	0.4
113.09633	26.3
119.08583	0.7
121.06470	0.7
121.10134	10.6
123.08047	0.5
123.11700	5.5
131.08527	0.9
133.10213	0.6
139.11166	13.5
141.12715	2.5
143.08563	1.0
145.06586	0.6
145.10104	2.4
146.31514	0.6
147.08037	0.7
147.11673	1.1
155.08514	0.8
157.10120	0.6
157.12213	6.7
159.11714	0.6
161.09521	0.6
161.13136	0.6
171.07999	0.6
173.09566	2.8
173.13246	1.9
175.11101	0.7
183.11693	1.0
189.09091	2.8
191.10654	2.2
193.10056	0.7
195.11707	1.0
197.13268	4.0
199.14777	0.6
201.12743	0.8
207.10072	0.5
207.11842	0.9
209.13301	0.7
211.14815	1.0
213.12700	2.4
215.14346	1.1
221.13168	2.7
223.11174	1.1
225.12709	3.1
227.14299	1.0
235.14804	3.0
237.16376	1.7
239.14311	1.1
239.18022	0.7
241.12177	0.5
243.13704	0.5
247.14772	0.8
247.53600	0.5
253.15788	1.0
255.17311	1.0
263.14273	2.1
265.15848	5.7
267.17331	1.2
267.21027	0.8
268.14481	0.5
279.17383	0.8
281.15335	2.4
283.16913	15.7
285.18558	1.1
291.17310	0.5
293.18863	1.9
299.16458	4.7
299.20087	0.7
300.17282	0.5
301.17953	100.0
302.18817	1.8
303.19534	8.5
311.19809	3.9
327.19623	0.6
329.21024	8.9
335.19943	0.8
339.19562	3.5
353.20987	7.4
354.21951	0.8
357.20752	2.1
367.22693	1.1
371.22043	0.8
423.28677	4.6
441.29950	29.2
459.31018	13.9
477.32065	79.8
478.29105	0.5
642.54156	0.6
692.03571	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	956.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77602	1.5
71.08628	24.0
79.05482	2.0
91.04895	2.8
91.05473	76.4
93.07044	2.6
95.04952	7.1
95.08624	1.4
97.02872	1.4
99.08086	20.6
103.05457	3.0
105.03386	59.9
105.04461	1.8
105.07018	36.4
106.06535	5.3
107.08599	7.6
116.09935	2.6
116.10717	51.7
118.06501	5.8
119.04926	15.3
119.08537	9.4
121.06495	10.8
121.10126	13.9
123.08063	1.5
131.08521	2.8
133.06483	14.9
133.10103	12.4
135.08046	6.5
136.07576	7.6
136.70987	1.5
143.08569	1.5
147.04408	5.5
147.08006	6.2
149.05942	2.8
149.09601	19.0
151.07524	1.8
157.10164	1.9
159.08061	3.3
159.35715	1.6
161.09605	1.7
165.05545	4.8
173.09593	1.6
177.09103	9.9
182.08113	41.1
183.11909	1.4
187.11192	2.5
207.11578	1.6
211.11174	1.6
213.12511	1.7
221.13234	2.6
223.11157	3.1
228.10883	1.3
229.12032	1.9
234.14774	2.1
251.10619	1.7
280.15396	100.0
281.15161	2.2
299.09204	1.8
309.14716	5.4
327.15891	6.2
387.18167	2.1
403.19513	1.4
449.19577	11.7
491.20410	8.0
509.21716	26.6
527.22717	6.3
641.25397	5.7
650.80518	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	958.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	0.9
77.03919	0.5
79.05493	4.1
84.17001	0.4
85.02896	2.5
91.05476	11.6
93.07064	0.9
95.04986	4.0
95.08568	0.5
103.05486	0.5
105.03391	100.0
105.07010	1.9
106.06565	0.8
107.08613	0.6
118.06565	3.5
118.12776	0.5
119.04939	3.8
119.08591	0.8
121.06516	1.0
121.10151	0.5
122.06020	46.3
133.06526	0.9
133.10120	0.7
135.08102	0.6
136.07587	1.9
149.06079	0.6
161.09627	0.5
171.07910	0.6
171.11920	0.5
183.11710	0.5
188.10577	0.5
195.11685	0.7
197.09659	0.5
197.13341	0.8
199.11220	0.7
240.10222	5.5
263.14484	0.6
268.09723	1.9
281.15408	0.9
286.10727	36.6
309.14801	1.9
327.15915	2.5
345.16867	1.1
387.18375	0.6
509.21976	0.7
605.54486	0.5
913.93762	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	958.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79367	0.4
74.71912	0.4
77.03926	0.4
79.05491	0.8
79.21926	0.4
81.07064	0.7
91.05484	18.1
93.07017	0.5
95.04956	3.8
95.08580	0.5
97.01076	0.5
105.03396	54.8
105.07022	2.1
107.08595	0.5
109.06553	0.5
119.04948	4.3
120.08073	2.8
121.06475	2.3
121.10159	0.5
125.93625	0.6
132.08090	5.9
133.06471	0.6
133.10130	0.8
136.07579	100.0
143.08534	0.7
147.08034	0.6
149.05997	0.5
149.09625	0.5
154.30495	0.4
155.08554	0.5
159.08144	0.7
161.09677	0.9
169.10048	0.5
171.11742	0.5
173.09645	0.8
179.08568	0.5
185.09743	0.6
193.10147	0.7
195.11717	0.6
197.13222	0.7
199.11125	0.6
200.13554	0.4
213.12755	0.6
220.12453	0.5
223.11185	0.4
237.12428	0.6
239.14243	0.6
254.11696	2.6
263.14566	0.5
269.08118	0.7
281.15298	0.8
282.11261	5.9
300.12305	28.4
309.14890	1.0
327.15930	1.8
345.16867	1.8
372.99854	0.5
404.14716	0.7
509.22104	0.8
567.18005	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	962.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	0.9
79.05499	3.3
81.07053	0.6
85.43686	0.5
91.05477	12.2
93.07038	2.0
95.04974	4.9
97.02901	0.5
103.05505	0.5
105.03395	100.0
105.07027	14.6
106.06547	0.6
107.08582	2.2
107.10857	0.4
110.98141	0.4
117.81295	0.4
118.06548	2.8
119.04952	3.6
119.08562	3.1
121.06504	3.1
121.10134	3.1
122.06026	40.9
123.08067	1.8
131.08574	0.7
133.06502	5.8
133.10110	5.2
135.04379	0.6
135.08052	2.0
136.07596	2.1
144.23737	0.4
145.06474	0.7
146.56528	0.4
147.08066	2.0
149.05959	2.3
149.09621	6.4
151.07521	0.9
159.08109	1.7
161.06013	0.9
161.09665	0.9
171.07988	0.5
177.09085	4.2
181.10109	0.8
187.11188	0.5
195.11632	0.6
199.11241	0.5
210.09274	0.5
213.12744	0.5
223.11140	0.7
237.12576	0.6
240.10248	2.2
253.16020	0.6
281.15250	0.6
286.10721	36.5
309.14835	1.6
327.15997	1.9
345.16974	0.9
359.11545	0.5
449.19601	4.4
491.20743	2.7
509.21701	11.2
527.22601	0.6
546.85168	0.5
616.74860	0.5
641.25848	0.9
683.88135	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	964.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.7
73.02885	1.0
74.63140	0.8
75.41212	1.0
77.03919	0.9
79.05492	1.7
81.03431	1.1
81.07052	1.2
82.09360	0.9
83.04978	100.0
85.02921	1.5
91.05479	6.8
93.07025	5.7
95.04957	6.8
95.08604	1.8
97.02340	1.0
97.02850	7.2
100.07610	11.1
105.03389	67.3
105.04462	2.1
105.07022	11.8
107.08582	4.7
115.03916	2.3
117.07016	1.4
118.06542	7.3
119.04970	1.5
119.08565	4.3
121.06499	9.2
121.10104	4.2
123.08077	1.7
131.08568	1.8
133.06485	11.6
133.10123	7.7
135.04337	1.0
135.08034	1.7
143.08475	3.5
145.06450	2.0
145.10100	1.5
147.08055	4.5
149.05980	5.0
149.09615	6.8
151.07516	1.9
151.11159	2.0
155.08597	1.4
156.09343	1.6
157.05000	2.0
157.10130	2.1
159.08038	5.6
161.09593	6.2
164.86932	1.1
167.07146	1.1
167.08543	1.4
169.10139	3.9
171.11516	1.6
173.09604	3.9
175.07516	1.1
177.05476	1.0
177.09076	2.3
181.10211	1.4
183.11717	3.8
186.40517	1.1
187.11113	1.8
193.10046	2.4
195.06435	1.2
195.11694	4.2
197.09616	1.5
199.11153	1.5
201.12529	1.4
207.11691	2.0
209.09619	1.9
209.13243	2.5
211.11136	2.4
213.12857	1.1
218.11755	33.2
220.12473	3.8
221.13289	5.1
223.11166	2.3
223.14796	1.3
225.12781	2.2
235.14859	4.5
237.12721	4.4
237.16388	1.2
239.14331	1.3
241.12253	1.6
245.13412	1.3
246.11235	33.8
247.09599	1.3
248.11858	1.6
251.10541	1.3
251.14323	1.8
253.15820	4.6
255.13733	1.3
263.14365	5.3
264.12283	30.3
265.15869	1.6
281.15375	6.2
291.13727	4.6
299.16299	2.3
309.14865	8.0
311.16473	4.6
327.15857	10.2
345.17227	2.3
369.17090	4.5
387.17984	6.7
390.60773	1.0
405.18988	1.9
447.20111	2.1
449.19592	4.2
491.20667	1.7
509.21783	21.1
522.82098	1.0
551.22742	2.3
563.65167	1.1
569.23688	5.7
772.32843	1.9
904.21808	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	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	38.4
69.03413	2.2
69.07069	18.5
71.04972	3.3
71.08627	37.0
79.05489	14.7
81.03432	4.7
81.07055	54.1
83.04974	3.4
83.08603	16.7
85.02908	9.0
85.06538	3.5
85.10181	30.9
89.82057	2.0
91.03931	5.8
91.05464	16.3
93.07037	22.7
95.04971	4.6
95.08587	42.1
97.02897	2.7
97.06508	4.7
97.10180	4.8
98.00787	2.4
105.07030	12.3
107.08591	17.7
109.10138	23.2
111.08059	4.0
111.11707	2.9
117.07018	9.1
119.08576	14.2
121.06400	3.0
121.10133	15.4
123.11689	5.2
127.03916	2.3
129.06982	3.3
131.08548	9.3
133.06552	2.8
133.10101	12.1
135.11673	12.2
137.09639	3.2
145.10123	4.4
147.11699	9.4
149.09586	3.2
149.13252	11.7
159.11687	11.7
239.17693	2.5
257.19177	3.1
257.24902	2.8
269.17480	14.6
275.20032	5.2
313.27301	78.3
314.09265	2.8
349.23764	11.4
493.38815	21.0
507.40482	100.0
547.43335	11.4
587.46649	46.5
605.47858	26.6
651.44611	5.9
749.51898	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	968.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12077	2.7
67.49782	2.2
70.35329	2.2
71.08632	25.3
82.21449	2.5
91.05480	78.0
99.08078	24.9
105.02739	3.4
105.03386	30.5
106.06538	10.6
114.00999	3.1
116.10730	45.6
118.06523	16.0
119.04967	28.3
130.46640	2.6
133.06599	3.1
136.07574	37.8
151.49564	2.8
165.05420	3.2
182.08099	46.3
193.10202	4.8
234.14958	9.7
262.14340	6.1
280.15411	100.0
281.15381	3.3
309.14874	4.0
327.15860	5.9
345.17282	3.7
387.18201	3.1
407.23221	3.0
509.21469	5.5
682.26001	5.4
683.25665	5.7
787.09088	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	969.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.8
69.03425	1.0
71.08608	0.7
73.02910	1.1
81.03432	1.1
81.07044	1.0
83.08636	0.7
85.02907	3.8
85.10173	0.8
91.03954	3.4
93.07000	0.5
95.08599	0.6
97.02891	3.5
107.97414	0.6
109.02924	0.8
109.10145	0.8
124.49381	0.7
127.03912	2.3
135.65611	0.7
141.86862	0.6
191.26936	0.6
243.08412	2.3
245.67046	0.7
333.20395	1.0
347.09537	3.0
365.10641	2.4
405.13574	6.2
453.20877	1.4
497.30646	9.7
551.28271	4.0
659.36249	10.6
713.33746	3.6
807.52069	1.4
969.57495	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	971.6454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	0.9
72.20950	0.5
81.07062	2.8
83.08600	2.7
93.07036	3.1
95.08601	47.1
97.06516	0.6
97.10169	0.7
105.07058	1.1
107.08601	2.3
109.06526	1.0
109.10172	0.7
111.08091	2.8
111.11707	0.9
113.09640	26.3
113.10444	0.8
119.08598	0.6
121.10130	12.5
123.08086	0.6
123.11695	5.1
131.08565	1.1
133.10159	1.1
137.06021	0.6
139.10217	1.0
139.11179	16.3
141.12738	2.4
143.08553	1.1
145.10120	3.9
147.08145	0.6
147.11646	0.7
150.78545	0.6
155.08630	0.7
157.10184	1.3
157.12210	9.5
159.08061	0.7
159.11716	1.3
161.09589	0.7
171.08055	1.4
171.11650	0.7
173.09624	2.4
173.13269	2.5
181.10173	1.0
183.11684	1.1
185.13153	1.0
189.09067	1.0
191.10695	0.9
195.11714	2.5
197.13277	3.4
207.11766	0.8
209.13286	2.3
211.14888	0.7
213.12811	2.8
215.14363	0.6
221.13249	0.8
223.11208	2.2
223.14812	0.7
225.12680	4.4
227.14209	1.3
235.14784	1.1
237.16388	2.7
239.14281	0.9
247.14832	1.0
253.15817	1.3
255.14459	0.7
255.17389	2.6
263.14313	1.1
265.15842	4.3
267.17435	2.7
267.21219	0.8
273.18546	0.7
281.15421	0.9
283.16916	15.3
285.18561	3.4
293.19040	2.2
299.16248	4.6
301.17960	100.0
302.18924	0.9
303.19525	9.5
311.19992	5.1
327.19141	0.6
329.21118	12.7
335.20096	2.7
339.19470	3.6
353.21100	7.0
354.21857	1.1
357.20612	2.9
371.21994	4.5
373.23688	0.7
405.27826	0.7
423.28943	5.9
441.29932	27.3
459.31110	12.1
477.32068	93.3
495.33182	0.7
511.17380	0.6
597.20667	0.7
905.89777	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	974.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	0.6
79.05499	2.9
81.03396	0.5
91.05479	12.9
92.18524	0.8
93.07007	1.4
95.04963	5.0
103.05490	0.4
105.03394	100.0
105.04539	2.7
105.07027	2.4
106.06564	0.8
117.42253	0.4
118.06532	7.6
119.04926	3.5
119.08613	0.6
121.06509	0.8
121.10134	0.4
122.06025	42.7
123.04443	0.5
131.08572	0.6
133.06483	1.7
133.10146	0.8
136.07564	2.3
145.10207	0.6
147.04427	0.5
147.08025	0.6
149.05974	0.5
149.09627	0.9
151.11255	0.4
157.10146	0.5
163.21542	0.4
169.10153	0.5
171.11774	0.5
173.09630	0.6
181.10056	0.6
183.11705	0.6
193.10155	0.5
195.11755	0.8
197.09685	0.5
197.13243	0.6
207.11716	0.7
220.12531	0.5
221.13126	0.4
225.09169	0.6
225.12892	0.5
235.14728	0.7
237.12747	0.8
240.10199	7.5
248.12097	0.6
253.15842	0.6
255.65945	0.4
263.14301	0.9
268.09619	4.1
269.08163	0.6
281.15503	1.7
286.10730	40.7
299.16440	0.8
309.14850	1.8
327.15964	3.1
345.16965	1.0
377.07596	0.5
509.21771	2.2
717.23248	0.4
897.85529	0.5
985.21582	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	980.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	6.7
71.08634	13.5
75.95177	2.0
77.03937	2.2
79.05508	2.3
81.03386	1.5
81.07053	1.7
85.02858	2.3
91.05479	44.4
92.92818	1.6
93.07030	7.5
95.04949	15.9
95.08603	2.4
97.02882	11.2
99.08112	13.5
101.76678	1.5
105.03387	100.0
105.04498	4.1
105.07035	12.6
105.19818	1.5
106.06541	3.0
107.08595	3.1
109.06543	2.1
115.03920	3.1
116.10693	23.0
118.06548	30.6
119.04943	21.0
119.08569	7.8
121.06505	16.5
121.10116	8.3
123.08067	7.8
131.08533	6.7
133.06525	15.9
133.10114	15.0
135.08043	3.1
136.07576	78.8
143.08533	3.1
145.06509	2.5
145.10120	3.1
147.04402	1.8
147.08061	3.7
149.05997	6.9
149.09610	8.8
151.07574	1.9
155.08467	2.1
156.09419	2.2
156.47697	1.9
157.10179	2.9
159.08064	8.9
161.09608	4.2
165.05504	3.3
167.07068	4.0
167.08408	2.6
169.10139	2.6
171.08058	2.0
173.09622	2.4
177.05458	3.1
177.09058	3.5
179.08554	3.2
181.10115	2.2
182.08131	21.8
183.11783	7.8
185.09573	2.9
187.11078	2.6
189.09174	2.4
193.10214	6.3
195.06476	2.4
195.11688	8.9
197.09564	3.0
197.13181	1.8
199.11195	2.9
207.08214	2.0
207.11760	2.6
209.09772	2.2
209.13303	3.5
211.11166	3.6
211.14836	2.7
219.06424	2.2
220.12538	2.5
221.13228	3.0
223.11136	6.4
224.12068	2.8
227.10616	1.9
227.14204	2.2
234.14873	28.5
235.14911	6.6
237.12840	3.4
239.10696	2.6
239.14339	3.9
248.11926	2.8
253.15825	3.7
255.13864	2.6
262.14352	19.8
263.14270	8.6
267.13785	2.5
280.15439	45.6
281.15292	12.4
289.15720	2.0
291.13953	5.9
299.16528	2.0
309.14963	17.1
322.02307	1.9
327.15820	18.2
369.16840	2.8
387.18005	13.3
405.19070	7.0
431.18503	2.6
447.19824	2.9
449.19656	14.5
491.20178	2.3
509.21655	25.0
516.06226	1.6
616.77704	1.8
788.36652	2.3
1018.80347	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	981.6656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	0.9
75.80246	0.4
81.07043	2.8
83.08601	3.3
91.05556	0.5
93.07028	0.8
95.08599	4.4
97.06527	1.0
97.10143	1.1
105.07015	0.7
107.08570	3.5
109.06496	0.7
109.10154	46.7
111.08093	0.8
111.11781	0.5
119.08576	1.8
121.06480	0.8
123.08087	0.8
125.09617	1.9
127.11198	15.3
127.12123	0.7
131.08536	0.9
133.10158	0.6
135.11697	13.4
137.06015	0.6
137.13269	4.5
143.08563	0.8
145.10141	1.0
147.11618	0.9
149.13217	0.8
153.12735	10.9
155.08559	0.8
155.14299	3.3
159.07918	0.4
169.10063	0.8
171.07977	1.1
171.11725	0.6
171.13750	3.7
173.09641	3.5
173.13243	1.8
175.11171	0.6
183.11546	0.6
185.13179	0.9
187.11182	0.6
189.09111	2.6
191.10617	1.8
193.10068	1.1
195.11700	0.8
197.13248	4.4
207.10190	1.8
209.13361	0.9
211.11108	0.6
211.14790	0.6
213.12796	1.7
215.14275	0.7
221.13330	0.6
223.11154	2.1
223.14859	0.5
225.12723	2.0
227.14252	1.0
235.14801	2.3
237.12828	0.7
237.16376	3.0
239.14305	1.0
247.14818	1.8
255.17433	1.8
263.14233	1.0
265.15897	5.1
267.17447	1.9
273.18472	0.7
281.15472	1.0
283.16907	17.4
285.18414	2.8
286.15536	0.5
289.19315	0.5
293.18829	0.7
299.16565	2.4
301.17966	100.0
302.18909	0.9
303.19482	9.2
311.20010	2.8
327.19589	0.6
329.21097	8.0
335.19797	0.8
339.19562	0.9
353.21161	6.3
354.21707	0.6
357.20401	0.9
371.22058	1.0
437.30469	5.1
455.31549	32.9
473.32629	17.1
473.37985	0.5
491.33667	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.1
73.02911	1.6
77.03927	2.0
77.30229	0.3
79.05498	3.3
81.03423	0.5
81.07067	0.6
85.02894	1.6
91.05479	8.9
93.07051	3.1
95.04965	8.9
95.08593	1.4
97.02867	4.1
98.72028	0.3
105.03391	100.0
105.04530	3.8
105.07031	5.0
107.08588	1.4
109.02891	0.4
109.06530	1.4
115.03920	2.3
117.07004	0.6
118.06530	6.1
119.04935	2.0
119.08543	2.6
121.06499	5.3
121.10134	2.0
122.06026	18.3
123.08070	2.7
129.06970	0.6
131.08586	1.5
133.06488	5.9
133.10124	5.1
135.08063	2.2
136.07507	0.4
137.05940	0.5
142.07770	0.5
143.08562	0.7
145.06493	0.7
145.10130	1.5
147.04411	0.4
147.08035	1.8
149.05931	3.1
149.09589	2.8
151.07562	2.1
151.11191	1.5
155.08571	0.8
157.04999	1.6
157.10155	1.7
159.02370	0.4
159.08060	2.3
159.11705	0.7
161.05962	0.7
161.09651	3.0
163.07535	0.9
167.07068	0.5
169.10101	1.4
171.08128	0.8
171.11729	0.4
173.05948	0.4
173.09669	1.5
175.07547	2.1
177.05510	1.5
177.09186	0.6
179.08527	0.5
180.09464	0.4
181.10153	1.8
183.11674	1.5
185.09666	0.6
187.07500	0.5
187.11115	0.7
189.09167	0.4
189.12769	0.4
193.10144	1.9
194.10822	1.3
195.08116	0.4
195.11691	2.5
196.08958	0.6
197.09654	1.4
197.13287	0.8
199.11159	0.9
205.10167	0.6
206.10945	0.8
207.11690	0.6
208.08836	0.6
209.09621	0.7
209.13367	1.8
211.11209	1.9
211.14810	1.4
213.09264	0.6
213.12770	0.8
219.06522	1.3
220.12506	1.7
221.13298	2.3
222.10437	0.4
223.11234	1.6
224.11964	0.7
225.09151	0.5
225.12733	0.9
227.14322	0.6
235.14879	2.0
237.07616	1.7
237.12749	2.2
238.13556	0.4
239.10745	0.7
239.14316	1.9
240.10190	9.3
245.13281	0.8
248.12083	1.7
249.12790	0.7
251.10643	0.8
253.15916	1.5
255.08659	0.4
255.13782	0.8
263.14365	3.3
265.12415	0.4
265.15805	0.6
267.13675	0.6
268.09674	4.9
281.15414	2.2
283.13675	0.6
285.15125	0.5
286.10724	18.4
291.13843	1.9
297.14972	0.4
299.16434	1.7
309.09625	0.5
309.14841	6.4
311.16345	0.5
327.15887	6.2
345.17072	0.8
369.17093	2.3
387.17902	4.8
390.13553	0.5
405.19324	2.2
431.18442	0.9
447.20172	0.5
449.19574	5.4
491.20810	1.6
509.21701	7.4
568.54205	0.4
772.56158	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	991.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07365	1.4
83.08630	0.3
85.10197	0.4
86.09708	22.9
98.98472	0.5
104.10746	67.6
123.11738	0.3
125.00002	8.8
130.29382	0.3
163.01596	0.6
184.07338	100.0
253.02730	0.3
258.11014	0.6
313.27338	3.4
478.33145	3.2
496.33957	32.3
502.04370	0.3
510.35516	0.3
599.43976	3.3
777.78064	0.3
854.53333	0.3
991.67151	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	3.8
71.08607	8.3
71.27946	1.7
71.68423	1.9
74.66874	2.1
79.05505	3.8
91.05474	30.7
93.07036	8.9
95.04945	16.1
95.08611	3.5
97.02882	12.4
99.08064	9.6
105.03393	100.0
105.04495	4.4
105.07020	22.1
107.08599	4.5
109.06500	3.7
115.03912	7.8
117.05748	3.4
119.04948	13.5
119.08587	7.7
120.08068	9.2
121.06501	14.3
121.10123	10.1
123.08076	9.0
129.07024	2.0
130.12273	69.7
131.08580	4.4
132.08086	49.6
133.06474	14.8
133.10127	12.6
135.07996	4.8
143.08540	3.6
145.10043	2.3
147.08058	8.2
149.06003	8.5
149.09604	8.2
149.75046	2.1
150.07916	2.5
150.09138	65.3
151.07503	2.7
151.11099	2.3
155.08531	2.5
157.05014	3.9
159.08046	4.1
161.09615	11.9
169.10062	7.0
171.08029	2.7
173.09637	3.7
179.08556	3.1
181.10126	4.7
183.11694	4.8
185.09583	3.5
193.10158	3.8
195.11681	5.0
196.09752	17.3
197.09659	4.4
197.13164	2.6
199.11134	2.4
206.11000	2.7
207.11723	3.6
208.08798	2.0
210.10339	2.7
211.11168	4.6
220.12515	3.9
221.13150	2.6
223.11223	4.2
225.12755	4.2
235.14775	10.0
237.12868	2.6
239.14294	4.8
241.12190	2.4
241.16026	2.5
248.16402	41.9
251.14316	4.2
255.13770	2.9
263.14359	4.9
276.15930	62.3
279.13773	2.4
281.15317	11.6
291.13885	4.0
294.17053	44.3
299.16620	2.6
309.14886	13.0
311.16351	3.6
327.15881	13.5
358.77753	2.4
365.79880	2.2
387.17990	8.5
449.19958	2.7
468.08737	2.7
499.73090	2.4
509.21735	18.6
569.23718	15.2
600.18085	2.1
802.37677	7.9
921.76111	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	998.438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.3
71.08627	9.9
73.02879	1.9
77.03905	2.3
79.05493	3.5
84.06322	1.8
91.05481	37.1
93.07034	12.6
95.04989	16.3
97.02901	3.3
99.08088	8.3
104.93674	1.8
105.03396	100.0
105.07031	34.1
107.08591	18.2
109.06429	2.2
116.10699	19.2
118.06493	2.3
119.04933	10.9
119.08577	12.4
121.06489	16.1
121.10136	20.8
122.30470	2.2
123.08083	3.7
131.08557	11.6
133.06493	21.6
133.10110	18.9
135.04425	2.5
135.08038	17.0
135.80136	1.8
136.07616	4.6
137.05975	2.0
143.08597	2.6
145.06516	3.4
145.10138	4.5
147.08025	20.1
149.05968	12.4
149.09645	29.5
151.07533	3.6
151.11162	2.5
159.08037	19.4
161.06004	3.9
161.09637	11.2
175.07507	3.2
177.05515	2.7
177.09090	22.6
182.08159	16.2
187.07471	2.2
190.32851	2.0
193.10199	3.2
194.79007	1.9
195.11671	4.2
197.09695	2.6
197.13210	2.4
203.05130	2.1
206.10977	1.9
206.46625	2.3
207.11678	2.9
209.13182	3.2
211.11218	13.0
211.14856	2.5
213.09062	2.0
213.12767	3.8
215.10663	2.1
221.13292	2.9
223.11203	8.7
234.10628	2.6
234.14877	2.5
235.14891	3.9
237.12804	3.1
239.14381	2.7
241.12190	2.1
245.13310	2.8
247.11183	2.2
248.11934	3.2
251.10632	2.5
255.13835	2.9
263.14413	7.8
267.13815	3.7
269.11588	2.2
273.12482	2.2
280.15475	39.0
281.15436	2.9
291.13913	3.5
309.09525	3.1
309.14786	16.0
327.15851	18.4
345.16971	3.3
369.17020	2.7
387.18033	15.9
405.18835	4.6
414.13885	2.2
431.18668	3.0
449.19513	12.0
491.20526	26.2
509.21536	31.5
551.22815	39.2
569.23700	22.8
623.24585	2.9
641.25952	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	999.676
Annotation	Unknow
Peak:m/z	Relative Intensity
77.58646	0.7
81.07066	3.4
83.08613	1.6
90.61788	0.6
92.17925	1.0
93.07018	0.9
95.08595	4.9
97.10181	1.3
107.08576	4.6
109.10151	38.5
111.11696	0.9
125.09683	1.0
127.11179	15.5
135.11665	11.8
137.13232	3.6
145.10118	3.5
153.12741	14.0
155.14261	1.3
159.11627	1.0
165.53899	0.9
169.10143	1.4
171.11732	1.2
171.13757	5.7
173.09631	1.5
173.13211	2.9
174.29131	0.9
183.11632	1.2
185.13210	0.9
187.11160	1.0
187.27473	0.9
189.09106	1.8
197.13261	3.7
207.10046	1.3
209.13283	0.9
211.10948	1.0
213.12779	1.7
219.13864	0.9
221.13219	0.9
225.12744	3.0
235.14850	1.0
237.16422	3.3
239.14278	1.6
250.87672	0.8
253.15936	1.0
255.17328	1.3
263.14209	1.4
265.15839	3.8
267.17435	1.9
280.14059	0.8
281.15393	1.1
283.16940	15.7
285.18555	1.5
293.19107	1.9
299.16370	1.7
301.17960	100.0
303.19485	9.4
311.19992	4.3
329.21176	8.3
339.19504	4.1
353.21152	5.1
354.21997	0.9
357.20895	1.1
371.22141	3.4
437.30521	1.8
455.31497	25.9
455.37750	1.1
473.32474	15.1
491.33633	64.9
594.76141	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	1000.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	2.6
73.31438	1.3
75.41632	1.3
83.04981	1.4
87.04512	2.6
93.02272	1.5
98.75964	1.5
111.04497	10.1
113.02438	1.8
118.60831	1.6
119.05045	1.8
121.02947	100.0
132.04501	1.7
134.06114	8.0
137.06190	2.0
162.05583	2.2
165.09119	1.9
167.10768	2.5
170.30327	1.6
180.06590	1.8
195.13936	6.4
204.10265	21.1
205.12363	2.4
219.13976	2.4
223.13400	30.2
229.12253	1.6
232.09801	3.2
247.13423	24.2
250.10826	31.1
265.14413	14.4
274.10953	2.6
292.11823	7.5
361.16370	2.4
379.17679	1.8
391.17609	20.0
402.07349	1.6
452.49426	1.9
501.21268	24.5
543.22375	9.9
624.28021	7.2
734.31708	8.1
1000.45093	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	1001.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72863	0.6
87.28753	0.9
97.27330	0.7
111.08136	12.9
175.63759	0.8
179.14427	5.3
188.73131	0.7
195.13857	3.8
205.12337	0.8
220.84302	0.8
223.13377	37.1
225.15071	0.8
237.14951	5.2
289.21762	1.7
317.21198	4.0
335.22278	100.0
366.76938	0.9
554.17041	0.8
665.35718	3.3
676.76996	0.8
723.61334	0.8
866.92590	0.9
967.74554	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	1002.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68848	1.2
72.99310	22.2
75.27046	1.0
75.84463	0.9
82.35796	0.9
82.88940	0.9
89.02467	1.0
94.87926	1.0
95.91993	1.0
109.65922	1.0
109.70065	0.9
114.78564	1.0
119.05016	5.7
120.04556	4.3
121.02947	22.8
125.02456	1.9
125.40343	1.1
129.07104	1.2
132.35181	1.0
210.09265	6.5
221.09286	1.2
238.08736	18.7
266.08197	5.5
276.11417	1.1
284.09308	100.0
452.68918	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	1002.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
79.86623	2.7
80.50557	2.8
88.87090	2.7
98.68458	3.1
108.56113	3.1
117.14845	3.6
141.00633	6.8
141.01700	100.0
186.22372	3.2
203.07994	3.6
249.78795	3.2
298.26706	3.9
500.98840	3.9
799.14081	3.9
850.54340	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	1003.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
82.61658	1.6
91.05532	95.2
91.06100	3.3
93.27702	1.9
117.03506	6.4
131.05040	2.1
135.04504	2.5
143.83435	1.7
149.05928	2.2
163.04005	100.0
187.03978	3.5
191.05597	12.8
244.07266	2.0
248.36682	1.9
307.08246	76.4
343.88071	2.2
566.80890	2.2
781.31226	13.0
1002.96924	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	1005.351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	3.6
71.16169	0.9
71.77458	0.8
72.99307	28.1
73.99643	2.1
74.99720	1.4
80.78389	0.9
89.02441	2.4
92.19502	1.5
95.91396	0.9
98.23557	0.9
105.37643	1.0
119.05002	10.4
120.04535	5.6
120.05337	2.2
121.02943	69.9
122.03271	18.0
123.03440	1.9
132.04559	2.2
134.36740	1.0
135.04541	1.1
171.21706	1.0
172.07184	1.0
195.01892	1.0
203.88074	1.0
210.09233	12.0
211.09601	5.5
212.09831	1.3
238.08730	26.5
239.09094	16.5
240.09273	4.5
266.08203	1.9
267.08572	5.9
284.09290	100.0
285.09616	78.3
286.09857	31.8
287.10040	7.5
319.15549	1.9
320.15781	1.4
326.10364	5.2
327.10693	4.6
374.62354	1.2
452.19763	2.2
453.20233	2.0
454.61261	1.2
623.71332	1.0
634.26160	1.4
659.26093	2.3
660.26068	2.3
727.18634	1.1
758.68146	1.3
977.11597	1.3
1005.34637	7.6
1041.55542	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	1006.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.0
72.99306	7.0
75.00830	0.8
84.03899	0.6
89.02460	1.2
94.99426	0.7
103.68390	0.7
118.06612	2.5
119.04971	1.0
121.02947	26.4
134.06113	11.9
162.05618	7.8
180.06659	100.0
204.06667	0.7
222.07666	0.9
242.11815	2.3
270.11304	1.3
285.95737	0.6
288.12418	82.5
330.13446	3.3
451.19656	3.1
462.70203	0.7
472.81012	0.8
657.25519	4.0
675.26202	1.2
738.48053	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	1008.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	10.2
75.25423	1.1
89.02439	2.2
89.23525	1.4
91.00352	1.1
92.19432	2.4
101.02470	1.3
119.05016	3.0
120.04521	2.5
121.02953	43.5
210.09215	7.7
238.08746	17.3
266.08163	2.9
284.09308	100.0
293.87048	1.4
326.10260	1.5
337.35324	1.4
384.57428	1.3
410.75613	1.4
422.18472	1.2
517.39099	1.2
644.09711	1.3
687.26953	6.9
1008.34369	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25781	1.3
70.51040	1.2
85.87730	1.3
87.00852	1.5
88.00394	6.6
88.98805	100.0
89.02440	7.9
163.82768	1.3
262.10785	3.3
491.17691	1.5
610.68237	1.5
665.33337	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	1010.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	6.9
85.76978	1.3
89.02448	5.8
121.02953	100.0
131.03473	1.5
143.40196	1.5
173.22681	1.6
201.12901	2.5
250.10773	2.1
301.14453	5.9
319.15552	18.7
325.14313	1.8
387.13123	1.9
429.13831	1.7
451.19690	22.8
493.21069	2.7
535.21759	2.7
545.90668	1.7
615.25470	2.0
657.25745	66.4
890.36096	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	1010.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	22.4
78.16709	0.8
87.58061	0.8
98.06133	1.7
99.04523	8.3
99.23654	0.8
99.44939	0.9
103.20284	0.9
119.05051	1.6
119.33540	0.8
121.02949	16.3
144.04483	1.0
188.10854	7.1
216.10318	15.1
233.46564	0.9
244.09802	4.8
262.10837	100.0
302.89923	1.0
481.21570	1.0
687.26654	2.0
958.17358	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	1010.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.6
72.99306	14.9
74.21312	0.3
75.00869	0.4
85.02938	0.3
97.06589	0.5
99.08163	0.7
101.02453	0.3
102.02903	0.3
104.05051	0.5
114.09232	4.3
114.09934	0.3
115.07642	10.4
118.06617	0.6
119.05000	2.5
119.99134	0.3
121.02951	27.0
129.09227	0.3
132.04544	1.3
134.06111	5.0
144.04543	2.1
162.05623	4.4
180.06670	9.1
201.12897	0.3
204.13947	4.7
216.13878	0.4
232.13428	16.3
260.12985	3.7
278.13983	100.0
302.13928	0.5
311.51819	0.3
319.15463	0.5
320.15021	3.9
350.57126	0.3
451.36731	0.3
465.21304	2.9
507.22305	1.7
525.23572	0.6
528.71399	0.4
629.25458	0.5
647.27502	1.2
647.57324	0.4
671.27094	3.6
689.28333	2.4
932.39685	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	1010.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
72.88221	1.0
72.99303	18.3
89.02411	1.5
119.05022	1.6
121.02951	23.0
128.10802	7.7
129.09235	7.9
134.06140	5.2
157.47432	1.2
157.94080	1.2
162.05573	2.6
180.06682	6.8
180.63953	1.2
192.61803	1.3
218.15671	4.2
228.77571	1.4
246.15002	15.3
269.35236	1.2
274.14474	2.6
278.13913	5.7
292.15573	100.0
319.15399	2.0
334.16562	2.2
402.36365	1.2
408.23215	1.4
435.71902	1.2
451.19604	1.9
487.14749	1.2
493.20752	2.0
657.25671	1.9
675.27118	1.4
772.63306	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	1010.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	25.1
115.07622	46.5
119.05022	6.8
121.02921	46.1
128.10782	15.5
156.35690	3.5
165.95522	3.0
176.02681	3.0
194.08246	6.0
246.15010	4.1
263.17294	2.7
265.24146	2.6
274.14517	10.7
292.15555	100.0
318.71585	3.1
319.15524	4.1
425.08374	3.5
451.18820	3.3
614.47791	3.1
657.25665	3.4
861.34003	3.2
932.40021	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	1011.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.8
84.02303	0.6
95.05023	1.1
97.02953	3.3
109.02940	11.3
121.02935	2.3
123.04520	5.1
125.02437	14.5
125.09682	2.3
135.04475	1.4
137.02435	12.1
139.04007	4.0
139.24001	0.5
149.02432	3.6
150.03018	0.8
151.04007	5.4
159.04509	0.9
159.74962	0.6
161.02412	3.2
161.06067	5.9
162.03246	2.4
163.00397	0.9
164.01109	2.2
165.01872	5.7
167.03545	1.9
175.03975	2.2
175.07597	0.8
177.01859	1.1
179.03470	7.5
183.40579	0.6
187.04080	4.5
187.09721	0.9
188.04761	2.5
196.81461	0.6
202.06337	2.6
203.07158	16.5
205.05089	12.6
221.08211	3.3
223.13399	2.8
227.07050	3.1
231.02969	1.0
245.08183	27.8
247.06166	1.1
248.53506	0.6
248.56038	0.6
271.06192	0.7
277.21762	4.0
289.07187	32.7
289.10449	1.1
379.24161	0.8
431.61053	0.6
440.59824	0.6
611.70355	0.6
695.70740	0.6
823.47058	1.4
859.45020	3.2
993.48578	2.6
1011.49640	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	1012.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	8.2
75.00872	100.0
91.11637	0.8
100.08018	0.9
115.07637	2.0
121.02950	11.0
162.05545	0.9
180.06711	3.7
232.13467	5.9
278.13965	43.4
335.21683	0.9
336.45605	1.0
451.19720	1.2
648.83813	1.0
657.25513	2.0
663.25513	0.9
675.25934	1.1
1012.41058	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	1014.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
85.13381	2.5
121.02955	26.9
130.15814	2.4
144.53430	2.7
157.32185	2.4
158.47821	2.4
216.45125	2.5
233.61079	2.4
241.35660	2.3
246.07518	2.5
290.14957	2.5
451.19849	5.7
513.09723	2.6
632.41278	3.0
657.25220	17.2
742.71930	2.8
875.63824	2.8
1014.39087	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	1016.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	11.3
74.82531	2.0
76.78851	2.0
85.69643	2.1
89.02435	2.1
91.05528	2.2
119.05022	17.9
121.02953	99.1
134.06136	25.2
176.07137	4.4
195.28215	2.6
258.72388	2.5
273.92993	2.4
284.09381	3.8
298.10867	100.0
300.31488	2.4
319.15518	2.8
334.38358	2.8
405.26291	2.4
534.49823	2.4
657.25049	5.0
702.02606	3.1
938.36096	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	1016.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.1
72.99306	14.5
73.08898	0.5
77.52033	0.5
89.02455	0.5
92.20088	1.3
104.05094	0.6
110.15328	0.5
119.05037	4.9
120.04546	4.7
121.02952	46.3
125.02419	0.8
132.04538	2.5
157.34181	0.5
210.09262	10.0
222.09140	0.6
238.08728	21.7
266.08270	5.5
284.09296	100.0
298.10815	2.9
326.10321	5.0
411.38748	0.6
462.91449	0.7
465.21295	3.3
507.22092	2.1
525.23468	1.9
610.82715	0.6
647.27039	3.1
671.27454	6.3
689.27893	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	1018.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
71.93884	1.7
72.99313	18.5
75.00871	38.2
76.99603	1.6
119.05035	2.8
120.04549	1.7
121.02944	44.5
132.04564	1.7
210.09200	8.5
238.08749	17.9
266.08167	7.1
284.09293	100.0
326.10306	7.5
376.09644	1.8
451.19867	2.0
463.49664	2.2
592.93689	1.5
654.05133	1.7
657.25433	8.1
675.26996	3.2
876.51483	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	1019.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
90.98302	0.7
105.71074	0.8
108.05161	0.9
125.02440	1.6
125.08064	0.8
125.44960	0.8
169.17982	0.9
237.86438	0.9
245.27464	0.9
253.12566	1.0
271.13287	1.9
331.15482	4.7
449.21609	1.8
509.23895	100.0
628.19928	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	1019.6611
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04704	1.3
117.30682	1.6
121.02927	1.7
125.02438	1.9
149.73450	1.7
164.32150	1.7
527.31573	100.0
656.03943	1.9
917.94128	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	1020.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	10.7
82.95414	4.8
83.02506	26.8
89.02444	12.1
89.83649	3.0
97.21059	2.3
117.32801	2.8
121.02947	100.0
158.02327	2.5
201.12785	2.9
265.63501	2.3
283.13617	2.7
284.09412	2.9
301.14420	2.8
319.15509	20.3
429.14026	3.4
431.20575	3.4
451.19797	28.6
475.19760	2.5
615.25232	3.4
657.25708	95.1
754.18945	2.5
864.62799	2.9
869.35657	2.7
924.35046	4.7
1012.24097	3.5
1020.34088	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	2.3
96.32877	2.9
96.96011	11.8
107.88849	2.4
109.02954	23.8
112.18451	2.5
121.02956	41.5
123.04510	23.6
136.04079	3.8
151.03973	21.1
155.78336	2.6
163.03960	5.3
163.19554	2.2
164.03548	9.4
178.05185	2.9
181.34569	2.2
224.07196	17.3
233.36853	3.1
236.07162	4.7
238.08707	3.6
252.06656	35.1
254.08223	9.7
262.08786	3.5
264.06647	33.2
265.07501	3.2
266.08145	8.8
278.08203	3.7
282.07742	15.3
288.08801	10.2
291.05240	3.9
292.06128	16.0
300.08615	4.7
306.07617	13.7
319.15536	13.5
329.17474	3.1
388.11923	8.8
414.68567	2.4
416.11414	69.6
427.40652	2.7
434.12482	100.0
447.32480	2.8
452.13565	52.3
484.85034	2.4
496.57898	2.5
525.20941	3.2
599.75653	2.3
709.05402	2.6
751.80286	2.4
868.32648	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	1020.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	4.7
73.59052	2.0
74.13307	2.1
80.49796	2.2
91.05605	2.2
96.95993	2.8
109.02957	33.2
121.02940	35.3
123.04526	37.2
136.04062	5.3
141.00932	2.1
141.60258	3.2
149.60808	2.4
150.08734	2.4
151.04045	24.6
154.91498	2.3
163.04013	5.4
164.03531	4.3
165.09216	3.7
176.81969	2.5
178.05112	3.4
224.07190	20.0
226.08707	2.9
226.52350	2.9
231.03191	3.2
236.07239	5.5
246.83485	2.1
251.05603	2.7
252.06651	36.0
254.08218	4.8
264.06628	30.8
265.07251	2.3
266.08191	10.8
278.08279	3.4
282.07785	18.9
284.09122	2.9
288.08804	12.9
291.05441	3.1
292.06134	16.9
294.07605	3.4
300.08759	4.8
306.07666	15.0
319.15512	12.9
376.11618	3.9
388.11862	7.7
416.11392	73.1
434.12442	100.0
452.13644	62.7
515.58972	3.2
525.21204	3.7
969.52197	2.4
1020.37091	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	1021.336
Annotation	Unknow
Peak:m/z	Relative Intensity
97.02975	0.5
109.02966	5.4
121.02961	0.9
123.04514	2.6
125.02436	54.5
130.19717	0.5
135.04532	0.7
137.02460	8.4
137.89560	0.4
140.25948	0.5
149.02429	0.9
151.04005	5.7
161.02440	16.0
161.06070	2.3
162.03256	0.7
163.00388	0.4
163.03955	0.7
164.01166	0.7
165.01944	3.7
167.03412	0.5
175.04005	6.2
177.01915	2.9
179.03496	3.8
187.04013	4.0
188.04811	1.0
201.05626	0.7
203.07106	6.0
205.01422	2.3
205.05064	7.0
215.03607	0.7
217.05084	0.9
217.08809	0.5
221.08241	0.6
227.07056	0.7
229.05101	2.4
237.02446	0.5
243.02940	1.8
243.06639	0.7
245.04478	3.0
245.08180	16.1
247.06097	0.7
255.02962	3.3
256.03741	2.6
257.04507	1.9
271.06140	0.6
273.04047	5.1
281.04541	3.3
283.02524	2.5
284.03326	0.5
285.04013	3.5
287.05664	3.9
289.07187	34.0
297.04047	1.8
299.05496	1.8
315.00534	0.5
315.08810	0.6
339.08759	7.7
381.09726	0.8
389.06595	0.9
407.07718	41.0
425.08832	31.5
451.10382	2.9
577.13580	100.0
777.68896	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	1021.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96221	0.8
71.01375	4.2
72.99311	12.2
74.85526	0.8
78.58366	0.9
82.00835	1.0
82.13671	0.9
82.95422	4.3
83.02514	37.2
84.00906	26.1
84.02025	4.0
84.02816	3.0
89.02445	3.7
110.58766	0.9
114.09219	4.1
115.07665	7.1
119.05017	1.4
121.02078	1.6
121.02951	48.3
122.03244	2.3
134.06117	1.8
162.05588	4.4
180.01645	1.0
180.06674	9.1
201.12807	1.5
204.13878	4.2
232.13429	14.1
238.08907	0.9
260.12930	1.6
278.13965	100.0
319.15524	7.0
320.15305	4.1
334.69434	1.0
451.19733	5.2
452.20325	3.8
535.22577	1.3
536.22681	1.0
657.25354	14.8
658.25848	17.4
675.26892	1.4
682.01215	1.0
911.81421	1.3
925.34973	1.3
1021.33868	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	1022.404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	7.0
71.67840	0.3
72.99303	0.6
85.02937	0.4
89.02436	8.2
90.09100	0.3
93.73257	0.4
99.04492	0.4
101.02428	0.6
111.04551	0.5
113.02428	0.6
115.03993	0.5
119.05033	0.7
121.02950	100.0
131.03494	0.5
135.04498	0.4
148.43025	0.4
149.04613	0.6
151.07698	0.5
165.09207	2.3
200.41360	0.4
201.12852	3.1
205.12256	0.5
216.10316	0.5
245.11865	0.4
251.14297	0.7
255.08791	0.6
262.10779	2.6
271.13367	0.7
281.15472	0.5
283.13385	0.7
299.13104	0.6
299.16611	0.5
301.14462	5.0
313.14557	0.4
319.15506	20.5
325.14331	0.5
343.15582	0.7
367.27423	0.4
387.12857	2.8
429.13962	2.7
431.21060	3.4
451.19763	24.3
459.13007	0.4
475.19650	1.9
493.20749	3.9
525.21545	0.5
535.21686	4.6
597.24017	0.5
608.55560	0.5
615.24750	3.8
657.25647	69.7
902.36243	5.2
1034.57300	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	1023.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92358	1.4
81.08828	1.9
84.00922	1.4
85.79207	1.2
93.64573	1.8
118.82511	1.4
125.02451	3.6
151.03975	1.6
178.24121	1.5
325.61588	1.5
353.27039	1.7
434.33627	1.6
444.05701	1.7
529.29407	100.0
761.98853	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	1024.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	7.9
86.83407	1.0
89.02438	9.7
115.07626	1.2
121.02953	100.0
132.26578	1.0
143.13390	1.0
149.04489	1.4
165.09229	1.4
201.12888	1.1
255.13638	1.1
278.13907	1.9
301.14441	5.3
319.15555	19.3
387.13245	1.4
429.14005	1.8
431.20804	4.4
443.07242	1.0
451.19748	20.6
475.19684	5.0
493.20782	3.8
535.21716	6.5
615.24585	4.4
655.00403	1.1
657.25653	81.2
814.54291	1.1
886.78229	1.3
918.39496	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	1024.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	6.6
78.64036	0.9
85.02943	1.2
86.25071	0.8
87.00885	4.6
89.02441	9.9
101.75227	0.8
112.14326	0.9
113.58309	0.9
121.02957	100.0
126.25044	0.8
149.04564	1.3
165.09186	0.9
177.90085	0.9
201.12903	1.8
264.12424	1.7
271.13168	1.0
301.14539	6.2
316.93973	0.9
319.15530	19.0
325.14386	1.0
343.15509	1.1
381.75439	1.0
387.13095	1.5
429.14371	2.1
431.20795	3.8
451.19766	27.2
475.19894	1.2
493.20917	3.9
535.21887	4.9
580.40430	0.9
615.24396	3.6
657.25629	74.8
694.72705	0.9
904.38275	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	1024.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.2
72.99313	15.4
73.70461	0.8
79.07520	0.7
89.02425	1.4
95.77926	0.9
110.60535	0.8
118.06635	1.0
119.05032	3.2
121.02952	28.5
125.02415	0.8
127.11304	1.1
134.06129	6.0
140.75079	0.8
142.12418	6.3
143.10780	13.0
162.05606	3.8
180.06648	9.5
180.82492	0.9
183.05914	0.8
232.17027	4.7
238.75027	1.0
238.77722	0.8
260.16568	15.4
281.25159	0.8
288.15945	1.7
306.17126	100.0
319.15479	1.9
348.18146	3.2
451.19772	4.3
652.15607	1.0
657.25806	3.4
675.26624	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	1025.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	5.4
72.81378	3.3
84.47889	2.7
84.67075	2.9
88.98802	5.3
89.02432	7.5
91.16317	2.9
91.82138	3.5
93.08589	3.0
109.19843	3.3
121.02949	100.0
122.03287	35.6
123.03404	5.7
125.02456	3.9
146.78638	3.1
175.18933	3.0
315.45129	3.2
319.15442	12.6
320.15781	4.9
321.16266	4.4
347.89993	3.0
451.19513	5.7
452.20056	16.4
453.20313	6.0
454.20526	4.8
493.20856	3.7
657.25647	5.7
658.25989	20.9
659.26337	36.7
660.26605	39.7
1025.39380	5.6
1053.63550	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	1026.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37096	0.5
72.99335	0.5
74.65701	0.5
87.00867	3.6
88.00394	3.0
88.98808	100.0
89.02454	9.0
107.83356	0.5
117.74525	0.6
121.02945	0.8
155.92354	0.5
278.13879	4.2
841.29236	0.6
862.53296	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	1026.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.5
72.99304	14.5
78.43785	0.2
83.02507	1.4
89.02438	0.9
89.48383	0.2
96.18265	0.2
97.06606	0.2
99.08144	0.4
101.02444	0.5
104.05038	0.3
113.02456	0.5
114.09229	4.0
115.07641	7.8
118.06654	0.8
119.05024	2.6
121.02075	0.5
121.02951	13.7
132.04535	1.3
134.06120	4.5
144.04553	1.8
162.05612	4.5
163.87926	0.2
180.05153	0.4
180.06674	9.4
180.08272	0.4
204.13907	4.0
216.13947	0.9
232.13428	14.0
246.62033	0.2
249.56934	0.3
260.12875	3.1
278.13980	100.0
284.09317	0.3
319.15439	0.4
320.14963	2.0
481.20819	0.5
580.35138	0.2
687.26746	2.7
696.92535	0.2
705.26556	0.4
948.39270	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	1026.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10983	0.2
72.99311	0.3
88.98798	0.3
111.04519	0.3
121.02966	2.7
126.08055	0.2
139.03621	0.2
163.11317	0.3
165.29852	0.2
191.14449	4.4
193.15987	5.2
204.24829	0.2
216.10245	0.3
237.14972	100.0
247.13396	1.2
262.10864	0.8
265.14432	0.3
278.14014	1.1
298.44403	0.2
391.17685	0.2
501.21402	1.5
543.22186	0.3
558.84369	0.2
636.28369	0.2
736.91632	0.2
746.31201	0.3
930.40894	0.2
1026.49414	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	1027.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	20.7
79.51951	2.3
79.66821	2.4
83.02509	52.4
84.00924	28.1
84.02032	16.0
119.05026	4.6
120.04568	3.8
121.02962	34.0
173.61964	2.8
190.63567	2.9
210.09297	4.7
217.89511	2.6
238.08725	16.6
266.08167	3.5
278.13989	18.3
279.14218	4.8
284.09305	100.0
334.04074	2.7
350.35559	2.8
490.97333	2.6
529.15808	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	1027.492
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.1
83.22433	0.6
84.33645	0.6
93.03490	0.8
95.04974	0.7
97.02937	2.7
107.55482	0.6
109.02930	9.0
121.02943	1.1
123.04551	4.3
125.02431	11.7
135.04518	0.7
137.02457	10.0
139.04031	1.4
149.02422	3.3
151.04041	5.7
158.90901	0.6
159.04474	0.7
161.02420	3.3
161.06058	3.7
162.03227	1.0
164.01129	1.0
165.01900	4.3
167.03421	1.1
175.04008	2.7
175.07593	0.7
179.03552	8.5
182.78947	0.6
187.04037	4.5
188.04776	4.1
203.07162	13.9
205.05090	12.1
212.04840	0.7
221.08150	2.8
227.07159	3.4
231.02963	1.0
245.08171	23.1
247.06105	0.8
271.06119	1.2
289.07199	29.0
313.10291	0.6
398.34323	0.8
431.68414	0.6
444.92694	0.6
471.93225	0.6
495.80249	0.7
875.43616	2.8
1009.47314	1.1
1027.49194	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	1028.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08059	8.3
85.92937	9.8
113.33509	9.0
387.64404	11.5
831.52441	10.7
961.15710	13.5
1028.41150	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	1032.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99294	1.1
84.61150	0.6
87.00862	1.5
88.00407	3.4
88.98801	100.0
89.02444	3.4
93.58707	0.6
96.42245	0.8
104.23412	0.6
117.91388	0.7
121.02940	4.1
165.87148	0.7
210.09222	1.2
238.08752	3.0
284.09274	10.6
285.09656	1.0
318.30344	0.7
684.20099	0.7
982.64996	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	1032.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	16.4
84.43872	0.2
89.02419	1.1
101.02438	0.5
104.05054	0.6
108.46813	0.2
113.02449	0.5
117.03514	0.3
119.03570	0.2
119.05029	5.9
120.04541	4.8
121.02953	26.3
132.04565	1.6
163.04008	0.3
210.09268	8.8
210.11198	0.4
219.39003	0.2
222.09198	0.9
238.08749	17.3
266.08267	4.6
284.09305	100.0
286.62933	0.3
319.15552	0.4
326.10413	2.3
450.19089	0.3
481.20895	1.2
645.25409	0.4
687.26660	2.5
705.27991	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	1032.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
80.80361	0.3
117.03451	1.2
125.02470	0.6
134.36765	0.3
149.02448	1.8
151.00331	1.4
189.66454	0.3
201.05606	0.4
225.05600	0.6
269.04547	100.0
375.05121	0.3
382.18326	0.3
902.12103	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	1035.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	33.3
73.99653	1.5
74.23618	1.6
74.99730	2.1
80.68129	1.4
82.61166	1.3
89.89794	1.4
92.19316	2.4
94.94342	1.3
117.20202	1.3
119.03442	1.4
119.05008	7.1
120.04556	5.9
120.05329	1.9
121.02956	43.2
122.03294	15.2
132.04555	2.9
143.56503	1.8
153.70262	1.4
177.61990	1.6
210.09264	8.9
211.09570	2.7
238.08754	22.0
239.09076	16.5
240.09377	5.9
266.08292	2.3
269.93973	1.6
284.09308	100.0
285.09625	75.7
285.12787	2.8
286.09848	35.5
287.10062	9.5
313.12158	1.8
690.28418	1.9
820.49500	1.7
1035.36096	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	1038.308
Annotation	Unknow
Peak:m/z	Relative Intensity
99.92588	12.0
116.03481	0.3
116.92860	100.0
117.01945	1.2
130.07199	0.3
193.45213	0.3
243.62497	0.4
262.10815	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	1038.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
75.39017	0.3
85.02954	1.2
87.75495	0.3
89.02434	8.5
97.70782	0.3
101.02432	0.5
101.79763	0.3
113.02457	1.5
114.09260	0.5
115.04028	0.3
115.07642	0.7
119.05027	0.7
121.02950	100.0
123.09777	0.3
130.63887	0.3
131.03485	1.2
135.04521	0.5
138.73207	0.3
143.64960	0.3
147.04539	0.5
149.04543	1.4
151.07646	0.6
152.99529	0.3
165.09203	1.7
191.07156	0.4
201.12914	2.8
225.09256	0.3
245.11841	1.2
253.12276	0.4
260.12881	1.2
269.15604	0.4
271.13443	1.3
278.14032	2.9
283.13364	1.6
297.14740	0.4
299.12750	0.3
299.16281	0.4
301.14453	5.0
312.23087	0.3
319.15521	19.5
320.14984	0.3
325.14584	1.2
343.15753	0.6
359.13052	0.4
387.12964	2.4
429.14175	2.4
431.20996	2.9
434.05988	0.3
451.19766	25.1
475.19876	2.3
493.20752	3.3
525.21515	0.5
535.22089	6.1
540.97577	0.3
597.24811	0.5
615.24396	4.1
627.24500	0.3
657.25629	71.9
749.33606	0.4
856.13623	0.3
918.39404	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	1041.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02448	9.4
112.41858	0.7
119.05045	0.7
121.02953	100.0
122.03293	33.1
123.03467	7.0
131.03445	0.9
201.12840	1.6
202.13263	0.8
209.04549	1.4
216.05829	0.8
262.13229	0.9
279.14307	1.6
301.14343	3.8
302.14792	2.9
319.15570	12.7
320.15973	10.6
321.16217	5.1
322.16193	1.3
331.46188	0.8
375.27490	0.9
387.13208	1.0
388.12921	1.3
431.20334	0.8
432.21332	1.2
433.21161	1.3
451.19733	10.1
452.20175	12.8
453.20459	7.8
454.20370	4.2
454.26645	1.1
494.21384	1.8
495.21280	3.0
535.21881	1.0
536.22260	1.2
537.22595	1.8
616.24414	1.1
618.25848	1.3
627.84314	0.9
657.25830	5.9
658.26001	24.5
659.26245	39.6
660.26642	35.2
920.39551	1.4
921.40112	12.0
980.02515	0.9
1041.41223	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	1043.232
Annotation	Unknow
Peak:m/z	Relative Intensity
85.33483	0.2
92.20103	0.3
107.01378	0.2
121.02963	0.2
125.02468	0.2
137.90158	0.1
151.00365	4.8
163.00380	0.5
178.99873	4.4
179.16354	0.1
190.99858	0.2
211.04051	0.2
227.03418	0.6
229.05058	0.7
241.05196	0.2
243.02946	0.3
254.02187	0.6
255.02991	4.9
256.03802	0.2
257.04620	0.9
271.02475	7.1
272.03299	0.9
273.04089	0.8
283.02414	0.8
284.03275	11.9
285.04056	19.4
300.02762	100.0
301.03543	36.5
343.04489	0.3
463.08871	83.8
495.25998	0.2
579.13635	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.5
78.95544	0.4
79.35632	0.4
85.02950	0.5
86.62532	0.4
89.02441	8.2
90.59354	0.5
113.02459	0.8
121.02948	100.0
123.04512	0.5
134.60820	0.4
137.72382	0.4
146.46431	0.4
148.64174	0.5
149.04582	0.7
161.81264	0.5
165.09219	1.9
201.12878	3.1
205.12358	0.7
238.08722	1.0
251.14265	0.6
255.08902	0.5
255.14017	0.5
265.12302	0.4
266.08261	0.7
271.13431	0.6
281.15308	0.5
283.13443	2.3
284.09222	6.7
284.14166	0.5
297.09863	0.6
301.14456	5.9
313.14410	0.4
319.15518	21.5
325.14465	0.7
343.15417	0.5
387.12985	2.1
429.14209	2.6
431.20685	3.6
451.19781	26.1
456.62350	0.5
475.19730	2.4
479.04187	0.4
493.20688	3.2
504.79395	0.4
525.21045	0.5
535.21863	5.6
615.24274	4.4
657.25623	76.8
661.84821	0.5
924.34747	2.9
955.60944	0.6
964.90820	0.5
965.14984	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	1045.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
86.93919	1.3
109.02953	6.1
123.04507	1.7
125.02449	45.3
137.02426	12.2
143.41977	1.6
151.04007	9.1
165.01906	2.7
175.04019	7.2
177.01939	50.3
177.03474	1.6
179.03488	2.7
187.04028	5.6
193.05132	1.8
199.46683	1.6
203.07111	6.5
205.05103	6.5
208.60730	1.5
217.04956	1.7
229.05022	3.5
245.08278	16.8
247.06093	1.8
255.02956	5.9
256.03769	6.7
273.04089	5.3
281.04520	3.5
283.02527	5.8
285.04022	5.3
289.07227	26.2
339.08762	11.0
407.07788	61.7
425.08820	69.4
467.09604	2.5
517.16602	1.5
593.13123	100.0
600.70258	1.5
629.32776	1.7
956.03156	1.6
1070.08325	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	1047.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20051	0.5
121.02965	0.4
125.02424	0.4
151.00368	4.5
156.34512	0.4
163.00426	0.5
178.99840	3.9
224.28152	0.4
243.02869	0.4
255.03052	3.3
271.02521	6.1
272.03342	0.4
273.04175	0.5
300.02765	100.0
301.03549	41.0
313.03485	0.4
343.04605	1.4
386.55838	0.4
487.84027	0.4
595.13116	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
79.73866	4.4
83.32546	4.0
89.02409	6.1
107.80702	4.0
110.03603	4.4
112.42853	4.4
121.02953	100.0
122.03314	33.5
162.02554	3.8
166.50870	4.2
259.27438	4.7
319.15540	9.3
320.15796	4.5
339.29700	4.5
451.19431	5.3
452.20020	16.9
453.20587	5.4
453.86896	5.1
454.20438	5.3
554.72205	4.7
657.25891	7.9
658.26001	25.3
659.25946	45.1
660.26392	42.2
745.53229	4.8
746.51593	5.0
818.34686	5.7
1047.38245	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	1047.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
85.78224	0.5
99.08141	3.6
115.41689	0.5
123.38541	0.5
125.02460	0.7
127.11230	1.2
132.50763	0.6
135.23302	0.6
139.11295	4.3
155.14389	0.5
157.12366	0.6
171.10268	13.6
183.13892	3.4
209.11852	0.9
211.13391	29.1
229.14436	18.9
235.76703	0.6
293.21265	0.8
311.22342	1.0
322.58426	0.6
329.23343	100.0
407.37680	0.7
523.28613	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	1048.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74554	0.7
85.02979	1.1
89.02454	11.0
101.02439	0.7
121.02951	100.0
134.06171	1.2
135.04472	0.7
145.66760	0.8
149.04596	0.7
162.05634	2.7
180.06641	2.8
201.12886	1.4
213.30974	0.8
253.12263	0.7
270.11313	0.9
271.13376	0.8
283.13629	1.1
288.12314	3.1
301.14481	6.1
315.50189	0.8
319.15536	23.3
387.12952	1.3
406.16989	0.7
424.72931	0.8
429.14038	1.2
431.20743	3.2
433.18665	0.9
451.19788	24.9
459.34836	0.7
475.19705	3.3
493.20520	3.6
535.21777	6.1
615.24536	3.5
657.25671	80.6
928.37769	9.5
982.26965	0.9
1002.41449	0.9
1060.72070	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	1049.258
Annotation	Unknow
Peak:m/z	Relative Intensity
85.39369	0.4
89.99910	0.4
103.05347	0.3
105.77793	0.4
109.02943	3.6
115.00391	3.3
121.03021	0.5
123.04522	2.0
125.02435	35.6
134.03740	16.6
137.02432	7.7
139.04021	0.6
149.02435	1.9
149.06076	18.8
151.03996	3.2
161.02435	10.2
161.06067	0.7
162.03215	0.7
163.04062	0.8
164.01141	0.7
165.01917	2.1
167.03511	0.5
171.61295	0.4
175.03983	3.0
177.01921	2.4
178.02689	13.1
179.03491	4.3
187.04019	2.3
188.04729	0.4
192.04193	0.4
193.05063	96.9
203.03481	0.5
203.07117	5.2
205.01430	1.9
205.05026	5.2
211.18138	0.4
213.05742	0.4
215.03455	0.6
217.05124	0.4
221.08182	0.6
227.07127	0.5
229.04997	1.4
235.06094	0.5
243.02917	1.9
245.04463	2.9
245.08185	13.1
247.06073	0.7
253.05261	0.4
255.03149	2.8
256.03769	2.1
257.04593	0.5
273.04016	2.2
281.04568	3.2
283.02408	1.4
284.03110	0.5
285.04062	2.1
287.05588	3.4
289.07211	24.7
289.10483	0.9
297.04117	1.6
297.07550	0.6
299.05576	2.1
339.08746	4.6
355.10318	11.7
389.07083	0.5
407.07739	29.0
425.03064	0.9
425.08789	25.3
451.10239	4.3
453.10400	5.2
471.11398	16.2
505.28662	0.4
559.12622	0.9
577.13568	100.0
818.35522	0.4
851.21472	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	1049.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
76.30315	0.5
76.83791	0.4
79.49277	0.5
82.63739	0.4
125.02378	0.7
132.12990	0.5
151.00423	0.9
178.99998	0.5
199.48048	0.5
243.03003	3.2
255.02953	0.8
271.02463	6.9
272.03207	0.9
285.04077	3.4
286.04761	1.1
287.05536	1.7
299.01956	17.3
300.02737	21.0
314.04330	49.7
315.05121	65.6
357.06198	0.5
591.82947	0.5
623.16272	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	1049.68
Annotation	Unknow
Peak:m/z	Relative Intensity
76.76768	0.1
78.95905	3.4
89.44910	0.1
92.20018	0.2
92.72499	0.1
128.43074	0.1
152.99612	1.6
157.99098	0.2
164.27986	0.1
168.04306	2.0
224.06938	9.3
242.08058	1.6
255.23302	100.0
258.25729	0.2
452.62711	0.2
480.30984	45.9
495.27194	0.2
508.82455	0.2
554.34674	23.4
605.75775	0.2
975.64105	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	1051.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
93.25980	0.7
110.98536	1.0
129.38791	0.7
166.02135	0.8
183.97707	0.7
185.02209	1.2
203.36795	0.8
205.16008	10.4
221.15459	1.3
225.27843	0.7
231.10262	27.4
245.08173	0.8
249.14984	23.2
288.42596	0.7
305.24875	55.5
313.14441	14.0
327.50882	0.8
328.16818	100.0
329.17627	6.1
425.08768	0.9
430.28326	0.9
457.07483	0.9
473.20163	1.5
473.26797	44.3
533.32648	20.4
577.13031	1.6
577.31769	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6509
Annotation	Unknow
Peak:m/z	Relative Intensity
77.80130	0.4
105.88536	0.4
121.02908	0.6
187.13380	0.5
280.07135	0.4
347.53140	0.4
493.83493	0.4
543.30981	100.0
741.24286	0.4
960.69891	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	1052.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98938	1.3
72.99306	6.5
76.98407	1.1
77.88746	1.1
82.44036	1.2
84.31793	1.1
84.80103	1.1
89.02432	11.7
96.88979	1.1
114.16216	1.2
115.07642	38.4
119.05002	10.1
120.84001	1.3
120.91537	1.3
121.02949	100.0
128.10793	17.0
131.37589	1.3
132.08160	4.9
148.07788	1.4
163.04024	2.2
165.09169	2.4
176.07143	5.9
184.93919	1.1
194.08167	6.3
201.12837	1.8
223.91930	1.3
246.14963	1.8
274.14511	18.7
283.13391	2.2
292.15576	41.9
301.14526	2.4
313.14578	1.5
319.15509	17.6
325.14459	1.4
431.20773	1.7
431.54333	1.3
451.19925	18.9
468.28845	1.2
475.19641	5.3
493.20938	4.4
535.21948	14.0
595.25507	2.2
657.14587	1.7
657.25641	40.5
803.29761	10.1
837.48260	1.4
932.40881	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
99.92582	13.2
104.50923	0.4
114.93399	0.5
116.92851	100.0
116.97202	0.5
117.01929	2.7
125.02402	0.5
129.21274	0.4
263.02795	0.4
278.13965	0.8
399.89658	0.4
426.35010	0.5
440.38004	0.4
478.72552	0.4
518.97217	0.4
531.91895	0.4
576.62762	0.4
752.07800	0.4
769.77942	0.4
917.70978	0.4
970.23492	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	1054.482
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	1.5
81.72400	0.4
82.45129	0.4
96.96011	7.1
96.96973	0.9
99.92593	0.9
116.92863	8.8
118.26939	0.4
120.08311	0.4
203.14325	1.4
221.15477	100.0
250.21738	0.4
265.14459	77.3
267.53372	0.4
269.70322	0.5
278.13898	0.4
315.71762	0.4
419.18121	0.4
419.44989	0.4
639.21979	0.6
655.10162	0.5
745.30676	0.5
937.91083	0.4
1009.26172	0.5
1018.28131	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	1058.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02954	1.6
92.20062	4.3
99.92574	5.3
104.05060	1.7
111.04507	9.7
113.02456	2.4
116.92852	24.9
119.05037	1.3
121.02080	2.5
121.02949	69.9
132.04532	6.4
135.04576	1.7
147.04474	1.4
149.09700	1.7
177.12721	1.1
189.12862	5.3
193.20972	1.5
195.10100	1.2
203.14435	100.0
210.09296	13.2
217.80391	1.4
219.13913	9.4
220.07945	1.2
238.08751	40.6
247.13387	97.3
265.14383	11.5
266.08246	12.3
284.09357	13.5
289.66595	1.2
308.09326	4.8
326.10477	2.9
361.16473	6.8
391.17679	11.5
501.21408	30.2
539.77863	1.4
542.73523	1.3
543.22571	12.4
658.26593	2.6
768.30573	16.1
810.31476	12.9
813.07104	1.5
1064.58875	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	1060.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
74.13245	0.3
81.87354	0.3
99.00867	0.4
99.92580	13.1
114.93414	0.6
116.03523	0.3
116.92850	100.0
117.01934	3.3
118.63482	0.3
121.02905	0.5
125.54327	0.3
126.29762	0.3
136.74774	0.3
139.86024	0.3
181.88896	0.2
199.23242	0.3
284.09421	0.4
294.81653	0.3
342.04739	0.3
759.12909	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	1061.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
74.14274	0.3
74.15761	0.3
98.62243	0.3
108.71500	0.3
109.07037	0.3
119.40702	0.3
119.88839	0.3
121.02913	0.8
125.02470	0.3
141.38943	0.3
200.64946	0.4
202.09959	0.4
205.00383	0.4
220.00151	0.3
230.09410	1.3
289.07001	0.4
308.99176	0.3
312.13586	0.7
327.16040	100.0
643.34119	0.4
658.26337	0.5
663.31744	0.4
887.41681	0.4
1073.75330	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	1065.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
84.90817	0.4
109.02942	1.7
111.04508	0.7
115.00395	1.4
121.54733	0.4
123.00859	0.5
125.02433	40.7
134.03758	8.6
137.02448	9.8
138.03268	0.8
139.04015	5.2
149.02376	0.8
149.06084	7.7
151.04025	1.9
161.02438	10.2
163.03983	0.7
164.01109	1.9
165.01945	6.7
167.03499	5.6
167.55046	0.4
175.03984	2.4
177.01941	6.7
177.05515	1.0
178.02716	5.6
179.03487	9.7
187.03928	0.8
193.05061	36.6
203.03503	0.9
203.07266	0.5
204.04366	0.5
205.01363	1.9
205.05115	0.8
215.03555	0.6
217.05026	0.8
219.06645	6.1
221.04523	4.5
229.05116	1.9
243.03035	3.7
243.06493	1.4
245.04526	2.8
245.08095	0.8
255.02968	5.1
256.03757	2.3
257.04532	1.6
261.07614	2.7
269.04544	2.4
273.03995	2.1
281.04605	0.5
283.02438	8.5
285.04095	2.7
287.05527	3.0
287.75925	0.4
289.07166	2.2
297.04102	6.6
299.05722	0.5
305.06668	21.2
355.07532	0.8
355.10229	2.9
367.42090	0.4
379.03629	0.4
407.07712	0.9
423.07224	25.2
425.08685	5.0
441.08282	10.6
453.10370	1.5
467.09720	4.0
471.11435	3.7
575.11963	2.2
593.13080	100.0
739.94397	0.4
888.12048	0.5
1023.08466	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	1065.5807
Annotation	Unknow
Peak:m/z	Relative Intensity
121.02950	100.0
125.02498	0.7
137.02475	0.8
161.02454	0.7
161.72142	0.6
165.09160	1.2
165.92570	0.5
227.76038	0.6
261.96277	0.6
358.80618	0.6
368.75528	0.5
405.68030	0.6
487.19873	2.5
537.34369	3.1
545.24023	4.4
587.25049	51.1
764.67554	0.6
844.63324	0.6
913.39594	0.6
999.39014	0.6
1065.44946	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	1069.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
84.65335	1.5
86.33598	1.4
99.43637	1.3
100.53256	1.5
109.02924	1.8
113.76415	1.4
118.95206	1.4
123.04546	12.9
125.02441	31.4
137.02457	3.1
149.02438	1.6
151.04036	2.3
161.02422	9.8
163.00250	1.6
167.03496	100.0
174.08159	1.4
175.04097	1.6
179.03555	1.6
187.04070	1.7
191.03494	15.6
203.07170	3.1
205.01355	2.4
205.05086	2.6
209.04623	5.5
229.05016	1.5
245.04530	2.4
245.08267	10.2
255.03033	1.9
281.04382	2.8
283.02402	2.3
285.04059	2.3
287.05820	1.8
289.07190	22.9
339.08859	3.3
407.07675	21.1
425.08865	19.6
451.10019	2.1
475.49307	1.5
491.14194	68.1
508.52142	1.5
577.13623	78.6
909.82660	1.5
980.73224	1.6
1101.27649	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	1069.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
75.07942	0.2
78.95441	0.6
78.95903	18.5
79.95728	0.6
80.96486	0.4
83.01379	0.7
84.10410	0.2
85.01917	0.2
87.00880	0.6
87.57824	0.3
92.19494	0.7
94.98065	0.3
95.05000	0.3
96.96952	3.9
97.02959	0.5
99.00854	0.3
103.87086	0.3
109.02950	2.4
109.06551	2.1
112.65412	0.4
115.00368	1.8
119.77604	0.3
123.04523	1.3
125.02439	2.4
133.43112	0.4
137.01439	0.6
137.02438	11.4
139.04005	0.4
149.02449	1.3
151.03966	1.7
152.99582	6.8
161.02406	1.2
161.06081	0.7
163.11234	0.6
165.01920	0.7
166.02689	0.3
167.03474	0.5
175.02522	4.2
175.03932	0.7
176.01237	0.3
179.03433	1.5
181.12320	0.5
188.04805	0.5
195.13879	0.4
203.07153	3.3
205.05045	2.8
207.10300	5.1
221.08313	0.3
221.11801	0.5
223.00099	2.1
223.13387	0.7
225.00725	1.7
225.11316	3.4
227.07042	0.5
231.03159	0.4
239.12909	1.3
241.01202	23.1
245.08167	6.6
247.06113	0.7
255.23308	15.1
259.02246	2.4
265.14529	0.7
267.12305	0.5
277.14548	0.3
280.73416	0.3
289.07187	7.9
291.12219	0.3
297.03760	1.9
299.05609	0.3
301.10980	0.4
301.14435	0.4
309.13388	0.7
315.04910	0.6
316.31979	0.3
319.11862	0.5
319.15570	0.5
327.12466	0.4
345.13321	2.4
355.11642	0.3
363.14609	1.1
369.31750	0.3
391.22760	0.5
571.28754	0.4
675.41101	1.4
763.39728	0.3
779.39667	1.1
917.41797	0.4
1069.47839	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	1070.7137
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03487	0.4
83.05035	0.9
84.83929	0.4
87.13020	0.4
93.87000	0.4
95.05043	0.5
97.02965	3.9
97.06593	0.5
99.04544	2.2
101.93406	0.4
102.81107	0.4
109.02916	0.7
109.06524	0.5
111.04511	2.9
111.85455	0.4
119.05018	1.8
121.06582	2.7
123.00272	0.4
123.08154	1.0
124.40503	0.4
125.06058	3.9
133.01413	1.8
135.08212	0.6
136.05293	8.4
137.09715	1.8
139.07619	4.4
147.08165	0.9
147.11830	1.7
151.07640	68.4
151.11255	7.0
153.05566	0.7
156.59236	0.4
158.07397	2.5
161.06062	0.6
162.06870	0.6
163.04037	3.5
165.09300	0.4
166.06259	0.5
167.07161	2.1
168.06456	0.6
168.07913	20.1
169.08684	4.4
171.08066	0.4
171.11809	4.4
173.09749	2.8
175.11313	2.3
179.07146	4.0
179.10786	2.2
180.07944	0.6
184.08923	13.8
187.11281	5.2
189.09212	0.7
189.12836	9.5
190.09982	0.5
191.10794	0.7
191.14418	0.5
199.11292	10.8
201.09175	2.9
202.10019	5.0
205.12335	28.3
215.10713	3.8
217.12321	35.4
225.16232	0.6
230.29803	0.4
235.13356	4.8
249.11346	3.2
261.11301	2.1
279.05356	1.8
279.12375	100.0
335.37720	0.4
482.54126	0.4
582.35712	0.5
790.58142	9.3
843.07861	0.4
923.85004	0.4
1070.71143	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	1073.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
78.69583	0.2
102.29481	0.2
103.34473	0.2
107.01375	0.2
121.02937	0.3
125.02535	0.2
133.81657	0.2
141.32483	0.2
151.00351	4.3
163.00351	0.4
178.99870	3.7
181.36038	0.2
190.02856	0.2
197.40421	0.2
205.51584	0.2
210.07301	0.3
227.03365	0.3
243.02957	1.0
245.04506	0.2
251.09190	0.2
254.02164	0.4
255.03014	5.2
257.04431	0.2
271.02454	8.7
272.03101	1.0
273.04123	0.9
283.02322	0.9
285.04126	0.4
299.02069	1.3
300.02768	100.0
301.03546	36.9
314.04282	2.8
315.05164	5.8
463.08878	64.9
494.87244	0.2
609.14685	22.8
750.43274	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	1076.56
Annotation	Unknow
Peak:m/z	Relative Intensity
75.28431	0.2
76.13577	0.2
76.85209	0.2
81.90147	0.2
83.40549	0.2
98.15400	0.2
111.04573	0.2
121.02941	3.6
188.10777	0.2
209.19113	0.3
216.10376	0.4
223.20702	0.3
225.18561	0.2
227.20180	2.6
229.47533	0.2
237.15051	0.4
241.21761	0.3
246.37381	0.2
247.13373	1.2
262.10880	0.7
269.21262	1.3
287.22278	100.0
340.87509	0.2
391.17621	0.4
501.21548	0.8
784.56525	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	1078.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57777	0.6
89.02460	0.4
89.86728	0.5
90.57166	0.5
108.02193	0.6
109.02934	4.9
110.40764	0.4
112.04534	0.5
119.05009	4.1
120.04566	3.6
121.02954	23.0
124.01617	0.6
125.24628	0.5
140.98268	0.5
141.01767	0.7
149.31679	0.5
153.01926	6.8
165.01767	0.5
167.03447	0.6
196.14349	0.5
210.09233	4.5
222.09254	2.4
238.08743	15.7
255.71738	0.6
266.08188	6.9
278.14087	0.7
284.09283	100.0
319.15500	0.8
330.11227	0.8
374.10248	0.5
388.00275	0.5
420.10944	17.3
451.19760	0.5
512.71637	0.5
644.45514	0.5
657.26050	1.9
1036.37305	1.9
1078.37292	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19410	2.3
97.02944	3.7
107.11600	2.0
108.78361	2.0
109.02943	13.0
116.92831	7.3
119.40097	1.9
121.02949	8.6
123.04494	4.7
124.01657	3.1
125.02434	48.1
137.02429	28.2
149.02432	4.5
151.03993	10.4
159.17662	2.0
161.02460	19.9
161.06129	2.7
163.00433	3.8
163.04036	3.5
164.01155	25.5
165.01938	13.6
175.04016	8.4
177.01953	4.6
179.03514	10.1
187.04047	8.9
188.04752	3.4
199.04036	2.1
202.06270	3.0
203.07166	19.1
205.01450	4.4
205.05057	11.7
207.03062	2.1
221.08304	2.3
227.06952	2.3
229.05042	3.1
245.04475	2.4
245.08206	29.7
255.02979	11.9
256.03830	8.1
257.04562	4.9
271.06158	2.9
273.04013	3.6
281.04501	3.5
283.02408	8.1
285.03818	2.5
286.04739	2.9
287.05637	2.6
289.07205	93.8
407.07425	14.5
451.10361	2.6
577.13989	2.7
789.34692	18.5
909.37201	12.3
927.38367	29.1
1079.43042	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	1079.5963
Annotation	Unknow
Peak:m/z	Relative Intensity
84.36488	0.7
118.83217	0.6
121.02953	100.0
123.04471	0.9
125.02420	5.0
127.59968	0.7
137.02464	3.3
138.30063	0.8
143.83502	0.6
161.02464	1.0
164.01149	1.1
165.01863	1.2
191.88246	0.8
205.01378	0.9
286.98187	0.8
289.07217	3.3
469.18643	1.1
487.19736	9.9
525.73761	0.9
529.21100	5.3
545.23871	8.2
551.36243	2.3
587.25238	11.9
927.38354	3.6
1079.42981	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	108.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33595	0.4
60.40813	0.5
65.01456	5.0
65.99854	2.1
69.82187	0.5
70.67456	0.5
83.83969	0.6
88.92427	0.5
96.83105	0.5
108.02173	100.0
128.55768	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	1082.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
83.26054	0.3
85.02930	0.4
85.96345	0.3
92.19395	0.6
101.06125	0.4
111.04525	0.5
119.05046	0.5
119.42089	0.3
121.02950	31.8
147.11815	6.8
149.13341	2.8
157.10225	0.4
163.11256	0.5
165.09209	0.6
179.14449	0.7
189.12892	1.7
191.10771	0.4
191.14439	3.0
193.12328	0.5
193.15981	0.5
203.14418	9.6
204.14792	3.7
205.15990	87.7
206.16342	1.4
207.13860	0.5
219.13948	0.5
221.15479	14.4
222.15799	1.8
229.12213	0.4
233.11888	0.4
247.13405	10.8
248.13733	4.9
249.14969	100.0
250.15337	0.7
261.99295	0.4
313.14404	0.3
319.15509	8.7
323.38364	0.3
333.26541	0.3
361.16736	0.4
373.16611	0.7
432.65677	0.3
525.21326	35.2
526.21716	0.7
606.24274	0.3
678.30652	0.3
772.33527	5.1
1082.51477	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	109.0294
Annotation	Resorcinol
Peak:m/z	Relative Intensity
55.01876	0.3
57.33208	0.1
58.30980	0.1
65.03970	3.1
66.95910	0.1
66.96222	0.1
67.01892	100.0
67.07726	0.2
68.79545	0.1
68.99813	0.1
81.03458	7.2
95.15085	0.1
106.99828	0.1
108.16669	0.1
109.02948	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0295
Annotation	Pyrocatechol
Peak:m/z	Relative Intensity
50.39802	0.3
52.73109	0.3
55.73994	0.3
59.38120	0.3
66.84668	0.3
67.03013	0.5
71.34238	0.3
72.62917	0.3
75.08556	0.3
81.03468	2.0
84.64998	0.3
91.01889	2.1
92.19834	0.7
107.24234	0.3
108.02182	7.5
109.02958	100.0
110.92786	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	1093.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
89.00327	0.4
97.02943	1.2
121.02979	0.4
149.99596	0.4
165.01915	14.8
195.73004	0.3
279.23343	0.3
336.83707	0.3
350.80643	0.4
388.05884	21.5
388.10928	0.7
403.08246	29.9
415.04617	8.3
427.08344	0.5
429.06177	0.3
462.11432	0.3
475.08463	0.3
503.07520	6.7
504.09024	0.4
515.08197	0.4
531.07153	6.0
532.07996	8.7
533.08893	2.6
547.10364	39.9
564.07129	1.8
565.11572	6.2
579.13019	100.0
591.09021	1.5
624.40887	0.3
720.61847	0.3
890.66705	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	1096.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
89.21518	0.2
92.16364	0.2
99.92589	17.3
114.93417	1.2
116.03526	0.2
116.92860	100.0
117.01926	1.2
121.02924	0.2
155.05898	0.2
155.68802	0.2
218.25098	0.2
1014.82080	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	1096.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02935	0.8
86.18477	0.5
95.30233	0.7
99.04505	1.0
99.92562	1.3
100.09245	0.5
116.92835	15.8
121.02945	100.0
143.07132	0.9
165.09222	3.5
167.10715	3.7
191.07130	1.1
191.10834	0.7
195.10254	1.3
203.17970	0.8
244.09636	0.8
247.13306	0.7
247.17046	5.2
247.29825	0.6
264.49258	0.7
265.15237	1.1
265.18082	26.8
279.30780	0.5
319.15479	31.7
361.16571	2.6
373.16409	2.7
403.17474	1.1
499.75952	0.8
525.21307	69.7
728.03510	0.8
770.31897	8.4
892.22900	0.7
914.05554	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	1096.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	0.5
83.05024	0.5
84.35834	0.2
89.74004	0.2
95.05023	1.4
97.02888	0.2
97.06554	0.3
98.03771	0.3
106.04206	0.5
109.06586	9.7
110.03812	0.2
111.04513	4.8
111.08149	0.9
112.05350	0.5
121.02940	5.4
121.06568	0.4
121.10231	0.2
123.08147	1.5
127.07656	2.6
135.08133	0.5
135.11842	0.4
137.06084	1.0
137.09724	1.4
141.09164	0.3
143.10774	1.2
145.06570	2.2
149.09662	1.8
151.11247	1.0
152.99831	0.2
159.08206	0.3
163.11290	0.9
167.10797	2.8
169.12209	0.3
177.09218	0.5
177.12901	0.3
179.10805	2.0
181.12282	0.5
191.14474	0.5
194.93654	0.3
195.13922	4.9
207.17635	0.6
215.14487	0.5
216.10315	1.0
227.18056	0.3
235.13385	1.9
243.17525	0.5
245.19077	7.7
247.13382	1.4
249.14955	1.1
251.16528	2.1
259.13309	0.4
261.18637	0.4
262.10928	0.5
265.14465	0.4
267.27274	0.2
271.17084	1.7
273.15067	0.4
287.16504	2.9
289.18100	100.0
307.19150	43.5
380.53766	0.2
391.17767	0.4
467.25504	0.3
501.20718	0.4
550.74805	0.3
985.31573	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	1096.6935
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76386	0.5
78.95908	0.7
98.69872	0.5
101.95048	0.5
137.02490	0.7
152.99666	0.9
168.04259	0.6
219.30762	0.6
235.54677	0.6
242.08047	2.8
279.23367	3.1
281.24872	100.0
305.24948	0.8
435.25037	1.2
506.32562	36.5
530.31921	0.7
580.36255	18.2
790.59564	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	1097.6797
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	4.7
91.66575	0.3
98.20527	0.3
152.99615	2.4
168.04324	2.7
191.11937	0.3
224.05075	0.3
224.06947	9.9
242.07980	1.9
253.75096	0.3
267.09457	0.3
279.23291	100.0
504.30984	51.9
519.27087	0.3
578.34680	22.7
629.71460	0.3
789.84155	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	1102.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
80.98298	0.2
82.69661	0.2
87.67039	0.2
94.13182	0.2
99.92586	16.7
103.02470	0.2
114.93367	0.7
116.92854	100.0
117.01938	0.9
118.03587	0.2
121.02924	0.9
157.99306	0.2
165.01961	0.3
326.27603	0.2
419.96161	0.2
524.05957	0.2
651.21356	0.2
657.26172	0.4
658.26349	0.2
810.00751	0.2
1034.27698	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	1103.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
76.97012	0.1
79.62646	0.1
92.19463	0.2
93.03455	1.4
117.03452	5.9
159.04485	2.8
161.02405	0.5
203.03477	2.3
321.07718	1.4
323.05865	0.1
330.05148	0.7
345.07660	9.1
347.05518	1.4
371.05621	0.2
374.04269	3.6
375.05176	0.7
387.08682	0.7
389.06674	76.1
398.04453	0.7
400.02472	0.2
413.06683	14.8
415.04599	4.5
416.05457	0.7
431.07718	26.8
457.05658	8.1
465.09872	0.6
533.08765	0.3
551.09845	100.0
745.41235	0.2
813.98132	0.2
840.27740	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	1103.205
Annotation	Unknow
Peak:m/z	Relative Intensity
86.85523	0.2
93.03450	0.8
96.99560	0.2
107.01381	0.4
117.03451	2.4
136.71472	0.2
151.00372	2.4
218.44754	0.2
367.06204	1.3
374.04330	8.6
375.04959	0.5
376.17627	0.2
389.06665	13.6
398.04395	1.1
399.04837	0.4
401.02957	6.3
411.05164	1.0
413.06766	3.0
415.04422	0.9
416.05438	1.2
423.08856	2.2
431.07779	8.3
433.07257	1.7
442.03256	2.3
447.08676	1.5
451.08313	9.0
457.05685	4.6
475.08206	4.0
477.06342	0.8
483.11172	0.3
491.07895	0.4
493.05658	3.2
519.07214	88.3
520.07861	0.3
521.08160	0.2
536.07721	0.3
551.09857	100.0
563.06433	1.7
586.18524	0.3
609.16321	0.3
734.23834	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	1104.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44366	0.4
92.19513	0.5
97.92690	0.3
111.37260	0.4
121.02918	4.7
130.02527	0.4
177.09187	0.6
192.11646	4.9
210.09181	0.5
216.77756	0.4
218.09406	1.4
220.14682	37.1
221.15463	100.0
233.37723	0.4
236.10527	93.9
238.08698	2.5
247.13321	2.2
258.93307	0.4
265.14359	0.5
266.08429	0.4
284.09396	0.5
293.17593	77.3
399.06824	0.4
412.53912	0.4
501.21393	2.2
696.63715	0.5
716.69305	0.6
768.30005	0.9
810.31525	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	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01884	0.8
60.02090	0.3
67.01892	80.1
78.95889	1.2
79.22504	0.3
81.03465	0.4
83.01391	2.2
83.05037	1.3
84.33263	0.3
85.02943	0.5
93.03452	0.5
111.00877	100.0
111.04520	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	111.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.9
66.65434	0.4
67.01891	70.1
68.99830	0.4
78.95898	1.5
81.03465	2.0
83.01383	4.2
83.05021	4.2
85.02959	0.8
85.08016	0.4
93.03458	1.6
99.88680	0.3
100.88430	0.3
111.00874	100.0
111.04501	3.4
116.26549	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01874	1.0
65.03963	0.2
67.01893	64.0
69.03430	0.2
78.95908	6.0
78.96344	0.3
79.95752	2.0
81.03463	2.9
83.01388	2.7
83.05025	7.1
85.02952	0.7
93.03449	4.0
95.95251	0.4
101.85563	0.2
108.79308	0.2
110.97584	10.9
111.00877	100.0
111.04494	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	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
51.71585	0.3
55.01878	5.6
55.81503	0.3
57.03454	19.4
67.01889	0.8
68.99573	100.0
69.03457	4.6
71.01394	3.1
72.99294	0.5
83.01393	3.5
84.02167	7.5
85.02952	65.9
95.01382	1.9
106.65512	0.4
112.97147	2.3
112.98627	3.1
112.99927	0.7
113.02447	20.3
113.03648	1.4
130.28169	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	1131.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
88.14597	0.4
91.70843	0.4
99.21899	0.4
107.01388	0.6
117.03484	0.5
151.00371	8.3
205.21190	0.4
213.82317	0.4
218.70813	0.4
302.67685	0.4
367.06665	0.6
374.04346	16.8
388.05991	0.8
389.06693	28.2
398.04388	0.6
401.03076	3.0
413.06570	2.0
415.04596	2.1
465.09836	0.5
489.09753	1.7
501.06219	0.7
517.05518	4.1
518.06641	7.5
519.07159	2.1
533.08789	59.9
550.05768	0.6
565.11456	100.0
577.07745	0.9
893.07599	0.5
1167.20667	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	1133.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
78.90556	0.1
80.68097	0.2
83.36707	0.2
93.03464	1.7
96.64661	0.1
104.71304	0.1
117.03452	6.1
132.93599	0.2
146.89087	0.2
159.04501	3.7
161.02452	0.8
165.95602	0.1
203.03491	2.5
277.15958	0.2
288.04132	0.2
321.07901	1.4
323.05640	0.2
330.05466	1.0
345.07687	9.6
347.05505	1.2
371.05914	0.2
374.04297	3.3
375.05176	0.4
387.08817	0.6
389.06677	80.3
398.04178	0.7
400.02478	0.2
413.06680	17.6
415.04639	5.2
416.05664	0.4
431.07718	28.5
445.85489	0.2
457.05655	8.9
458.45221	0.2
463.28543	0.2
465.09702	0.7
533.08807	0.3
551.09851	100.0
581.10742	0.3
840.27521	0.3
885.79736	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	1135.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	11.7
83.05048	1.5
85.02967	1.9
85.31675	1.3
91.05526	1.5
93.03487	2.2
95.05014	3.0
97.02937	6.7
99.04504	14.9
105.07101	2.3
107.05030	9.0
108.02151	1.7
109.02953	14.0
109.06573	6.6
111.04489	14.9
113.02401	1.6
119.05026	11.4
121.02943	6.7
121.06583	16.6
122.03715	2.4
123.04509	12.2
123.08140	7.4
125.02450	8.5
131.05090	2.5
133.06592	22.4
134.03705	2.4
135.04544	19.1
135.08200	2.9
136.05292	3.1
137.02434	1.4
137.06113	12.7
139.04001	6.9
139.07655	2.3
146.03729	2.3
147.08105	2.2
149.06082	45.3
149.09712	8.7
151.04059	3.0
151.07648	22.5
152.04723	1.7
155.85025	1.4
161.02501	1.4
161.06050	21.9
163.07651	2.9
164.04793	5.4
165.09203	14.6
167.07143	27.3
177.01941	2.4
177.05557	1.7
179.07138	100.0
191.07097	1.9
193.08736	1.8
195.10104	1.4
197.08209	87.5
197.10030	3.0
206.45847	1.3
207.10278	7.4
209.08195	36.7
221.08237	5.2
231.13823	1.5
239.09200	35.5
253.12292	1.8
263.14023	1.3
269.04248	1.3
269.15213	1.7
271.13443	1.5
281.11893	1.6
289.07376	2.0
297.14972	24.3
315.16077	15.9
327.16016	11.9
333.17001	5.9
339.15887	1.8
345.17108	29.0
352.73535	1.4
357.17239	2.5
363.18350	4.7
375.18140	24.2
387.06018	1.3
387.18088	13.5
405.19260	31.3
407.07687	1.6
411.39627	1.4
417.19122	13.2
423.20328	2.5
465.21179	6.7
507.22049	6.0
523.29254	3.2
525.23383	62.6
619.71234	1.5
847.34454	1.4
951.69934	1.5
1135.41199	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	1138.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
84.46586	0.2
86.61552	0.2
102.42381	0.3
121.02961	1.1
138.90889	0.2
201.09190	0.6
202.09979	0.3
230.09503	1.2
238.08546	0.3
247.13301	0.3
292.11752	0.2
312.13684	1.3
327.16028	100.0
334.00574	0.3
342.87204	0.3
737.92340	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	1138.5751
Annotation	Unknow
Peak:m/z	Relative Intensity
81.64908	0.2
85.02944	1.4
92.19517	0.5
93.03405	0.3
95.05024	0.2
97.02937	1.2
97.06597	0.3
109.02929	0.4
111.00860	0.4
111.04515	1.1
114.09270	0.4
115.07632	1.3
119.05028	1.4
121.02948	100.0
123.04523	0.3
123.08150	0.3
124.01593	0.3
125.02473	0.3
137.06100	0.5
139.04021	1.3
144.04497	0.6
149.09700	0.4
150.10477	0.5
151.07695	0.4
161.06015	0.3
162.05562	0.4
163.07628	0.4
163.11270	0.6
165.09200	3.5
165.12851	5.7
175.07639	0.5
177.12775	0.3
179.10733	0.4
181.08821	0.5
189.05560	0.4
191.07164	1.7
191.10828	0.4
203.07091	0.4
209.99611	0.2
213.09140	0.3
213.31718	0.2
215.10817	0.6
216.13936	0.4
217.12529	0.2
220.93098	0.3
229.12383	0.9
231.10321	0.4
232.13487	0.4
233.11847	1.3
243.13892	0.3
247.13322	1.1
247.20668	4.3
257.11749	0.2
260.12976	1.1
268.05685	0.2
269.12192	0.2
269.28455	0.3
273.18634	2.2
278.13950	1.0
279.83923	0.2
291.19666	21.5
295.13348	0.3
313.14600	1.7
319.15512	33.5
325.14453	0.3
327.15952	1.4
331.15631	0.6
343.15421	1.2
345.17001	0.3
355.15506	0.4
361.16708	2.0
365.27841	0.3
372.87653	0.2
373.16528	4.0
403.17639	2.3
525.21326	73.7
532.71387	0.3
611.57971	0.3
756.34125	0.4
786.35126	12.4
942.72333	0.3
948.17828	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	1140.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
82.61018	0.8
85.02956	0.9
87.05103	0.8
97.02955	1.1
99.04498	1.0
100.80250	0.7
109.02966	0.7
111.04504	1.5
111.08167	1.1
119.08649	4.8
121.02948	92.4
125.09687	3.6
137.09720	10.8
143.89992	0.7
145.33632	0.8
147.61942	0.8
155.10774	1.7
165.09245	3.2
167.10722	2.9
169.12236	1.2
171.10258	26.0
183.10191	1.1
185.11824	8.2
191.07216	1.3
193.04987	0.8
197.11823	12.4
201.11357	1.3
211.13361	3.4
213.11292	1.8
225.14952	1.3
229.12199	0.9
236.70543	0.8
241.79840	0.8
265.17963	0.9
271.13464	0.7
273.18628	1.9
291.19547	9.2
309.20721	100.0
319.15485	30.0
343.15561	0.9
361.16531	1.6
373.16705	1.3
403.17679	1.0
525.21326	64.5
601.10919	0.9
647.81866	0.9
734.83569	1.1
770.31866	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	1140.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02936	0.7
97.02962	2.0
99.04533	0.8
109.02983	0.9
111.08153	11.5
121.02949	100.0
125.60320	0.5
139.04019	0.6
141.80341	0.5
151.03802	0.5
151.11292	0.9
153.12822	0.8
163.07611	0.7
163.78647	0.6
165.09166	3.3
169.12308	4.4
179.10751	1.1
181.12366	1.2
183.13963	0.8
191.07132	1.9
197.11835	55.1
199.13408	2.3
211.13411	9.7
227.12823	0.8
233.11615	0.7
243.13991	0.7
245.08614	0.6
263.20236	4.0
284.25525	0.6
284.40570	0.6
291.19690	8.8
309.20728	99.3
309.41885	0.9
313.14627	0.7
319.15506	32.4
361.16589	0.8
373.16507	3.0
403.17847	1.1
411.10263	0.6
450.05237	0.6
525.21320	73.1
770.31628	6.4
961.04370	0.6
1072.12939	0.6
1176.52356	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	1143.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19533	0.2
101.56833	0.1
106.53077	0.1
113.41431	0.1
121.02953	100.0
121.17046	0.1
122.43938	0.1
137.49271	0.1
223.92438	0.1
282.17914	0.1
301.15033	0.1
571.25629	1.9
979.20300	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	1144.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02423	1.4
98.06094	2.2
99.03927	0.4
99.04522	8.0
119.05033	3.5
119.80654	0.3
121.02948	22.6
134.06126	1.2
140.56902	0.3
144.04568	1.2
165.38905	0.4
167.10768	0.5
172.11371	0.4
180.06563	0.4
188.10797	5.4
195.13953	1.4
200.10892	0.7
205.12428	1.3
216.10292	14.9
223.13374	6.9
243.38448	0.3
244.09805	4.1
259.90866	0.3
262.10837	100.0
301.14529	0.6
304.11880	3.6
319.15598	2.3
363.89517	0.3
387.12955	0.4
399.74649	0.4
451.19727	2.1
475.19922	0.3
493.21237	0.5
511.21570	0.4
633.26160	0.5
657.25781	5.6
675.26910	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	1145.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
97.65278	1.9
109.02914	3.0
109.33224	1.9
123.33447	1.9
125.02442	80.6
133.69464	1.9
137.02469	8.5
151.03966	2.4
161.02460	20.8
162.46471	2.3
167.78702	2.4
175.03969	11.7
177.01909	8.2
205.05130	2.4
217.05057	8.4
221.46898	2.1
243.03029	18.0
245.04485	7.9
245.08130	7.6
248.83420	2.5
255.03160	2.3
261.03848	4.5
287.05542	8.1
289.07245	21.3
407.07782	18.9
575.11847	14.6
577.13397	8.2
695.13824	12.2
713.14886	9.8
739.16742	2.9
865.20056	100.0
1005.11139	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	1146.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
85.40791	0.9
91.19821	0.9
108.19323	0.9
121.02953	92.0
129.84097	1.0
138.66853	0.9
147.11699	1.1
165.09152	1.3
189.12779	1.2
204.23737	0.9
205.15970	33.3
205.17795	1.4
220.51973	0.9
221.15436	5.1
244.66289	0.9
249.14966	22.8
258.67697	1.0
272.17938	0.9
284.23196	0.9
319.15509	34.4
329.65100	1.1
361.16589	1.1
373.16742	1.6
403.17850	1.2
424.41498	1.0
525.21326	100.0
792.30664	5.7
1003.84027	1.1
1128.41272	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	1147.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03439	2.3
95.05064	1.3
107.38212	1.1
109.02937	10.9
121.02940	1.1
122.03737	7.7
123.03640	1.4
123.04515	24.9
124.01653	2.3
125.02428	18.4
133.02980	8.8
135.04521	1.4
137.01587	1.3
137.02463	20.9
139.03984	9.1
145.02983	1.0
149.02501	1.4
151.03993	11.2
161.02403	6.6
163.00362	23.8
163.03996	3.9
164.01152	100.0
165.01920	20.0
176.01082	5.4
177.01935	4.5
178.02690	17.8
179.03497	59.0
185.06023	3.7
187.04007	5.2
191.03535	11.3
193.04993	4.8
199.07526	1.5
202.99841	1.6
203.07114	5.7
204.00595	4.1
205.01360	1.1
205.04913	1.4
219.02983	4.2
227.07059	1.8
229.05083	3.4
231.06595	1.6
233.04617	1.2
243.02966	1.4
243.06612	1.4
253.05054	1.7
255.02995	4.2
255.06631	1.7
256.03772	1.9
257.04507	6.6
257.08163	1.3
267.06650	6.0
269.04535	5.5
270.05319	6.2
271.06125	25.2
282.01730	4.1
283.02542	4.1
283.06024	1.8
285.07669	13.4
287.05750	1.5
293.04660	1.7
296.03339	1.6
297.04071	1.6
298.04929	1.2
299.05576	9.4
303.08810	13.1
309.03851	1.2
311.05542	5.1
314.04285	2.3
325.03671	1.8
347.33417	1.0
377.10626	1.6
389.06564	2.1
391.08624	1.4
403.07983	2.1
411.10971	7.7
417.09924	1.5
421.09210	14.5
435.10602	8.3
449.12323	1.8
450.09930	1.3
539.13977	1.6
557.14587	92.8
571.16455	1.2
575.15918	2.4
589.17230	69.4
675.15222	1.1
703.17596	1.3
735.21033	2.2
843.23218	11.0
861.24243	14.9
875.25598	1.1
979.24530	5.3
993.26367	1.9
1007.27783	1.9
1115.29199	1.3
1147.32239	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
81.87415	0.9
86.81241	1.0
95.04934	1.0
97.02964	1.9
109.02959	8.3
109.43825	1.0
123.04513	4.1
125.02444	9.9
137.02461	9.3
139.04062	1.5
149.02423	3.7
151.03996	4.4
161.02441	1.2
161.06113	5.2
164.01195	1.3
165.01936	1.9
167.03520	1.5
175.04005	1.4
179.03508	4.6
187.04005	4.0
188.04674	1.5
202.06310	1.3
203.07149	14.9
205.05049	10.3
221.08226	1.5
227.07042	1.5
245.08171	22.2
247.05949	1.2
255.23297	1.9
271.06229	1.1
289.07159	26.2
424.74631	1.0
496.21982	1.1
616.43079	1.1
619.10327	1.1
699.65997	1.0
731.33124	1.1
764.74927	1.1
999.52020	2.0
1133.54504	1.1
1151.56628	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	1151.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.8
85.62206	0.8
92.78883	0.9
102.54784	0.9
109.02950	6.3
121.02922	0.8
123.04493	3.6
125.02449	10.8
127.89831	0.8
130.67857	0.8
135.04518	0.9
137.02449	10.5
139.04021	1.2
149.02432	2.9
151.03999	4.1
161.02406	1.6
161.06062	3.8
164.01115	1.4
165.01932	3.9
167.03539	0.9
175.03979	3.4
175.07559	1.0
179.03514	6.1
179.33614	0.8
185.06090	1.0
187.04047	1.5
188.04826	3.4
202.06372	1.5
203.07164	12.8
205.01285	1.0
205.05099	10.9
211.97498	1.0
221.08214	3.5
227.07149	1.8
245.08224	20.0
247.06108	1.0
255.23305	4.3
289.07205	23.3
366.69888	0.9
384.52444	0.9
409.16739	0.8
999.52094	3.3
1019.62457	1.0
1133.54199	1.0
1151.56519	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	1153.2622
Annotation	[Epicatechin-(4beta->8)]2-epicatechin-(4beta->6)-catechin
Peak:m/z	Relative Intensity
83.01386	1.1
93.03493	0.6
100.28448	0.6
109.02932	4.8
123.04545	1.1
125.02436	100.0
133.02977	1.1
137.02446	10.4
139.03952	0.6
149.02374	2.6
151.03984	8.3
160.27022	0.6
161.02425	36.6
161.06125	1.0
162.03214	1.1
163.00348	2.9
163.03990	2.8
164.01144	7.9
165.01933	6.4
167.03490	2.3
173.02397	0.7
175.03978	13.8
177.01929	14.3
179.03474	2.6
187.03963	1.1
189.01851	0.8
191.03644	0.6
193.05049	0.7
195.45549	0.7
199.03967	0.9
201.05580	1.3
202.06290	0.7
203.03558	1.9
203.07138	3.7
205.01445	1.2
205.05026	3.5
214.87621	0.6
217.05037	11.0
218.19487	0.6
219.02986	5.6
219.06587	0.8
225.05615	0.9
227.03613	0.9
227.07054	1.1
229.05060	2.5
231.02905	1.1
243.02972	23.7
243.06651	2.6
245.04517	11.4
245.08273	7.4
245.26698	0.6
253.04953	0.7
255.02901	4.3
256.03793	2.8
257.04562	3.0
259.06049	0.7
261.04041	5.8
267.03183	0.6
267.06509	0.7
268.03522	0.9
269.04477	5.2
273.03958	1.1
281.04593	3.5
282.01688	2.3
283.02487	3.3
283.05716	0.8
284.03180	0.7
285.04108	4.6
287.05630	15.5
289.07153	12.9
293.04651	0.8
297.04099	2.3
297.07373	0.7
299.05554	1.3
329.06525	0.8
337.07184	0.7
339.08771	1.3
341.06757	0.7
356.04700	0.6
363.04953	0.8
381.10034	0.7
387.05121	2.5
405.06256	2.5
407.07672	14.5
413.08826	7.4
423.07306	3.0
425.08722	3.5
449.08783	4.5
451.10239	1.5
525.08398	1.1
575.12000	22.5
577.13599	17.5
587.11932	1.4
630.49799	0.7
693.13129	0.7
695.14581	1.4
701.15509	4.4
711.13501	1.1
713.15088	1.2
737.15448	0.9
739.16687	7.9
821.17462	1.2
847.19861	0.8
863.18451	12.7
865.19940	17.8
907.20691	1.3
983.20245	8.4
1001.21094	6.7
1027.23303	7.4
1135.24719	1.0
1153.26294	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.7
96.32071	0.4
97.02946	1.5
109.02945	5.1
121.02963	1.5
123.04531	3.5
125.02440	45.8
125.21026	0.3
133.02980	0.7
135.04489	0.4
137.02440	10.9
139.03983	0.6
146.94611	0.3
149.02426	1.8
151.04007	5.3
159.04489	0.6
161.02444	15.7
161.06047	2.1
162.03145	0.5
163.00374	1.1
163.03990	1.5
164.01138	1.3
165.01950	3.7
167.03523	1.3
175.03987	5.3
177.01968	3.4
178.02693	0.5
179.03494	4.8
187.04015	2.5
188.04784	0.8
193.05081	1.8
201.05624	0.7
203.03471	1.6
203.07161	6.9
205.01396	1.8
205.05087	6.8
215.03406	1.3
217.05022	1.3
217.08788	0.5
221.08214	0.7
227.07126	1.5
229.05032	3.0
230.05768	0.5
231.02979	0.8
231.06740	0.4
243.02983	2.3
243.06577	0.4
244.03783	0.4
245.04637	3.3
245.08174	16.0
247.06174	0.8
253.05070	0.8
255.03059	3.8
256.03720	3.0
257.04541	1.4
269.04593	1.7
271.06155	0.8
273.03998	2.9
281.04529	4.6
283.02524	1.8
285.04053	4.1
285.07239	0.5
287.05560	3.9
289.07190	31.3
297.03976	1.5
297.07291	0.4
298.04755	0.7
299.05585	1.7
315.08646	0.5
328.05984	0.5
339.08731	6.8
341.06506	0.4
357.09692	0.5
365.10516	0.4
371.68353	0.3
381.09601	0.7
389.06659	0.6
407.07745	36.0
425.08829	25.7
451.10226	4.1
559.12421	1.5
576.12097	0.4
577.13599	100.0
578.13708	0.4
667.60046	0.3
929.40259	0.4
1137.12646	0.4
1155.27661	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	1155.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.5
82.37145	0.3
83.01372	0.6
92.19994	0.4
95.05054	0.4
95.68010	0.3
96.06259	0.3
97.02956	0.7
109.02945	6.1
121.02882	0.5
123.04489	4.5
125.02437	47.8
130.05447	0.3
133.02940	0.4
137.02435	9.7
139.03995	1.3
142.60580	0.3
149.02428	2.1
151.04015	6.4
159.04532	0.7
159.31770	0.3
161.02419	13.8
161.06042	1.6
162.03215	0.8
163.00385	0.4
163.03996	1.8
164.01126	1.3
165.01909	3.1
167.03490	0.7
175.04013	6.9
177.01921	2.9
179.03508	4.5
183.38042	0.3
187.04056	3.9
188.04773	0.7
201.05504	0.6
202.06448	0.4
203.03455	0.7
203.07146	5.8
205.01404	2.3
205.05087	6.4
209.13942	0.4
215.03471	0.7
217.05006	0.8
219.02863	0.7
221.08183	0.4
227.07053	0.7
229.05075	2.8
231.03020	0.7
231.06528	0.4
238.52286	0.4
243.02939	2.5
243.06679	0.6
245.04535	4.0
245.08179	17.2
247.06091	0.8
255.03021	4.9
256.03745	3.7
257.04550	1.6
269.04550	1.4
271.06143	0.6
273.04001	3.3
281.04572	4.8
283.02658	3.0
284.03268	0.3
285.04126	4.0
287.05576	3.0
289.07184	31.6
297.03940	1.7
297.07590	0.6
299.05609	1.6
315.08853	0.5
329.06601	0.5
339.08789	6.7
381.09967	1.6
389.06372	0.6
407.07718	41.6
408.08115	0.5
425.08823	33.7
451.10211	4.2
559.12268	0.6
577.13556	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	1155.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	0.5
97.02947	0.6
109.02953	4.3
121.02916	1.0
122.03729	0.6
123.04510	3.4
125.02438	43.3
131.34724	0.2
133.02919	0.4
135.04529	0.4
137.02441	9.8
139.03970	1.0
149.02461	2.3
151.03978	5.4
159.04468	0.5
161.02432	14.8
161.06107	1.6
162.03252	0.5
163.00381	0.4
163.04015	1.4
164.01152	1.5
165.01942	2.8
167.03445	1.6
175.03987	5.7
175.07646	0.3
177.01918	2.8
179.03491	4.3
187.03978	2.9
188.04794	1.4
191.03476	0.4
193.05046	0.5
201.05595	0.9
202.06325	1.3
202.98041	0.2
203.03418	0.4
203.07146	5.9
204.04292	0.3
204.99728	0.3
205.01424	2.0
205.05075	6.3
215.03600	1.1
217.05072	1.2
217.08667	0.4
219.03087	0.3
221.04460	0.3
221.08247	0.9
227.03534	0.3
227.07201	1.2
229.05112	2.5
230.05917	0.9
231.02939	0.6
243.03029	2.6
243.06659	0.4
244.03775	0.3
245.04544	3.2
245.08191	14.9
247.06183	0.6
253.05077	1.0
255.03012	4.2
255.05563	0.4
256.03802	3.3
257.04526	1.5
259.06067	0.4
269.04498	1.5
271.06155	0.4
273.04095	2.8
281.04608	4.3
283.02713	1.8
284.03256	1.1
285.04077	3.3
285.07178	0.5
287.05585	4.2
289.07187	30.1
297.04034	1.6
297.07581	0.6
299.05481	1.5
315.08865	0.5
339.08740	5.6
341.06787	0.4
357.09897	0.6
363.09003	0.4
381.09750	0.5
389.06659	1.4
407.07742	34.6
425.08813	28.2
451.10294	4.9
559.12659	1.3
577.13586	100.0
578.14636	0.3
1155.26489	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	1155.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19468	1.5
97.02927	1.4
104.16840	1.3
109.02969	10.2
112.97901	1.2
120.28381	1.3
123.04508	5.3
125.02433	100.0
126.02760	7.5
137.02428	17.8
149.02425	1.9
151.03983	10.3
161.02444	27.3
161.06100	3.0
162.02896	1.7
163.04024	1.7
164.01135	3.0
165.01877	5.2
167.03503	1.2
175.03993	12.7
177.01921	6.1
179.03467	6.1
187.04013	2.8
188.04816	1.4
203.03400	1.8
203.07117	8.8
205.01308	2.5
205.05089	8.7
217.05032	6.6
219.02968	1.9
224.53474	1.5
229.05096	1.7
243.02966	15.1
244.03540	2.9
245.04469	7.2
245.08141	21.2
246.04935	1.4
247.06050	1.6
255.03067	8.7
256.03607	5.4
257.04440	2.8
261.04083	2.5
269.04514	2.4
273.04108	2.2
281.04562	6.3
283.02542	2.2
285.04053	5.3
287.05582	7.6
288.05850	1.5
289.07196	40.2
290.07578	1.8
339.08832	7.3
407.07742	44.5
408.08154	4.8
413.08987	1.9
423.07275	1.5
425.08865	26.1
451.10352	5.7
452.89703	1.5
560.04987	1.4
575.12299	4.5
576.11774	2.7
577.13513	91.0
578.13855	1.8
579.14270	2.1
695.14844	1.5
740.17242	1.8
865.20178	23.7
866.20673	11.7
867.20758	7.3
985.21423	2.4
1155.26526	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	1158.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06602	0.2
106.01057	0.2
119.05014	1.1
121.02956	10.3
125.06068	0.4
134.06142	1.2
141.09282	0.3
148.08974	0.9
150.10524	1.1
151.11287	0.7
163.11319	0.9
165.12849	20.3
175.11273	0.3
176.12039	0.3
177.12929	0.6
191.14523	0.2
210.90085	0.2
217.15984	0.7
247.20680	13.3
273.15747	0.3
273.18628	7.0
280.09860	0.4
291.19690	100.0
298.10895	1.0
311.16541	0.8
313.14633	0.2
319.15460	1.8
343.15829	0.3
525.21375	2.6
671.24902	1.2
776.30914	0.4
806.31970	4.2
928.83105	0.2
958.95264	0.2
1158.55627	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	1159.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
107.01357	0.3
135.00870	0.2
151.00381	1.3
163.00386	0.4
169.01419	0.3
185.06198	0.3
187.04002	0.2
189.05482	0.3
197.06078	0.3
199.03999	0.3
213.05527	1.1
227.03494	2.8
229.04988	3.5
239.03584	0.4
241.05067	0.8
255.03001	10.1
256.03818	1.4
257.04547	4.2
267.02896	0.9
284.03271	59.4
285.04047	94.1
327.05200	1.1
410.52835	0.2
519.18109	0.2
579.13611	100.0
729.35364	0.2
940.55426	0.2
960.73383	0.2
1176.22852	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	1159.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
82.38652	0.2
111.96402	0.2
113.28602	0.2
121.02947	100.0
125.02457	0.4
125.17032	0.2
135.06093	0.2
135.17357	0.2
145.61273	0.2
177.02078	0.3
182.25880	0.2
184.65988	0.2
205.05078	0.2
269.04565	0.7
269.11844	0.2
305.13931	0.9
329.74622	0.2
365.16025	0.4
444.63000	0.3
454.68552	0.2
456.11310	0.2
483.22443	2.2
571.25635	2.1
614.66559	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	116.0506
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.76789	0.4
52.78529	0.5
59.27504	0.5
72.04543	1.3
74.02477	10.3
74.56591	0.5
89.01453	0.8
98.02500	0.9
113.33208	0.6
116.05057	100.0
116.07202	2.8
116.60147	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	1161.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01435	0.3
86.59512	0.2
97.64641	0.3
103.06748	0.2
107.01395	1.9
110.76513	0.2
151.00363	9.6
151.01440	0.5
165.02174	0.3
177.04028	0.3
184.96495	0.3
196.46979	0.3
249.89136	0.3
373.99460	0.5
374.04315	16.5
388.05859	7.8
389.06696	30.5
398.04398	0.5
401.02917	4.5
403.08243	11.4
413.06857	1.3
415.04648	4.2
461.10141	0.5
465.09711	1.1
489.09833	1.9
490.07071	0.5
491.07880	1.2
501.06189	2.3
517.05554	5.4
518.06506	8.7
519.07123	10.7
520.08160	2.4
531.07196	0.4
533.08801	65.8
534.06104	1.5
547.06580	4.1
547.99329	0.6
548.07526	14.2
549.08282	9.2
550.05518	1.4
563.09790	7.9
565.11450	100.0
577.07526	1.3
580.06403	1.3
595.12518	47.3
767.18945	0.3
1181.66687	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	1161.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20045	1.4
93.03432	1.7
109.02954	12.1
122.03731	8.7
123.04506	28.3
123.05388	1.1
124.01649	3.8
125.02464	4.2
133.02942	2.6
137.02393	1.4
139.04042	11.6
146.03693	1.0
151.04025	20.3
161.02446	6.0
163.00363	48.4
163.03955	3.9
164.01147	61.3
176.01204	1.3
177.01918	1.8
178.02710	41.1
179.03502	100.0
191.03470	2.1
193.05002	1.3
204.00584	2.5
214.75095	1.0
219.02974	5.0
228.86702	1.0
242.05881	1.5
252.04283	1.6
255.02902	1.9
255.06694	1.9
257.04529	12.6
257.08112	4.2
267.06677	12.0
269.04608	8.1
270.05325	14.3
271.06104	6.1
283.02420	4.0
285.07660	26.1
287.08975	1.5
296.03235	8.6
297.04028	7.3
299.05701	9.9
303.08685	12.9
309.04025	4.1
311.05557	4.8
325.03275	1.3
343.08371	1.5
403.08179	5.8
407.08060	1.2
415.08563	1.2
421.09357	23.4
435.10852	14.1
449.12756	2.2
464.10699	1.4
539.13708	1.6
557.14319	7.3
571.16125	35.9
589.17224	95.4
689.16736	6.9
707.17572	1.2
711.21356	1.7
744.95813	1.3
825.22479	2.4
857.24561	25.1
875.26001	10.5
993.26306	13.6
1007.27997	1.3
1129.30566	2.4
1143.32410	1.8
1161.33923	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1162.5819
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	1.9
83.01411	0.4
85.02955	2.7
89.02444	11.1
91.89838	0.3
95.01342	0.6
95.86390	0.4
99.04524	2.5
101.02444	11.6
102.60226	0.5
113.02449	7.2
115.04014	1.9
119.03503	6.1
125.02356	0.4
143.03429	0.4
155.10030	0.4
157.75296	0.4
161.04633	0.4
169.12338	0.6
175.14989	0.9
179.05597	0.6
181.12267	0.6
193.15990	8.7
209.15369	0.6
237.14926	3.0
349.66089	0.4
435.22388	100.0
471.88443	0.4
589.05554	0.4
683.88721	0.5
973.22076	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	1163.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
117.03445	7.1
159.04594	1.8
176.14055	1.7
205.19753	1.3
345.07654	9.8
374.04306	6.7
389.06693	93.5
413.06628	14.5
415.04657	5.3
431.07721	34.1
457.05829	6.2
534.06274	3.9
535.06702	2.4
549.08191	8.3
551.09863	100.0
581.10864	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
81.65542	0.1
83.33549	0.1
88.22675	0.1
100.28799	0.1
132.02092	0.2
133.02937	1.7
147.04413	0.2
148.01555	0.1
151.00311	0.2
157.20331	0.1
176.01031	0.6
177.01785	0.1
243.02953	0.2
322.04904	0.1
323.05823	0.2
324.61755	0.1
337.07117	0.3
345.07654	0.2
347.05341	0.2
361.07376	0.1
362.03775	0.1
374.04303	2.8
375.05063	1.2
383.05392	0.2
388.05865	1.6
389.06686	15.7
390.92676	0.1
401.03061	1.0
413.06671	1.2
415.04605	1.5
427.08780	0.1
430.06754	1.0
430.94833	0.1
431.07758	1.1
445.09293	0.4
447.06961	0.1
453.09622	0.1
456.05228	0.1
457.05609	0.5
466.07184	0.2
481.09344	0.8
488.04871	0.1
490.06873	0.4
498.09888	0.6
505.09793	0.7
506.06546	1.3
507.07455	0.6
513.11841	0.4
516.04553	0.2
517.05719	0.4
521.08881	0.4
523.06519	0.4
531.06732	0.1
533.05182	0.4
534.05927	12.2
535.06720	13.5
537.07733	0.2
538.08228	0.1
548.07635	0.4
549.08270	26.6
551.06451	0.2
565.07684	0.9
566.08850	3.7
581.10950	100.0
582.11389	0.2
593.07257	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	1163.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
98.35945	0.8
109.24878	1.0
117.03470	1.4
121.28882	0.8
151.00404	1.4
165.01851	1.4
335.40958	0.9
369.07657	5.4
374.04205	1.2
375.05225	1.4
388.05832	10.4
389.06677	5.0
390.07153	1.7
401.10394	1.9
403.08151	10.8
415.04633	10.5
425.10489	1.5
427.08261	3.2
445.09338	2.1
449.10010	1.8
471.07504	1.1
481.13095	2.1
491.11566	2.8
518.06189	1.6
519.07178	11.2
520.08044	6.3
533.09027	6.0
534.09241	5.9
535.10022	8.4
537.08313	4.7
545.87213	1.1
547.06757	6.3
548.07446	24.5
549.07880	12.3
550.08331	1.7
563.09821	22.0
564.10266	1.6
565.11475	7.2
566.11835	9.3
567.12891	51.2
580.10425	9.9
595.12518	100.0
596.12579	9.7
597.12903	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	1163.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02976	13.3
111.04532	9.1
121.02934	2.0
123.04520	2.9
125.02446	42.1
129.13861	1.4
133.02939	3.4
136.04576	1.5
137.02449	22.4
138.03242	6.0
139.04013	38.0
149.02382	1.8
151.03970	3.0
161.02441	8.5
161.06026	2.2
163.00380	15.6
164.01163	100.0
165.01936	22.3
167.03464	3.2
175.04065	1.8
176.01147	2.4
177.01956	12.8
178.02682	8.5
179.03523	29.4
185.06087	3.1
187.04016	2.2
187.44550	1.8
191.03520	3.5
198.77975	1.9
203.07126	6.4
227.07315	1.9
229.05128	3.8
243.02998	3.1
253.05025	5.5
255.02971	3.1
256.03699	2.9
257.04587	6.4
267.06519	1.8
269.04559	3.5
270.05435	2.8
271.06125	23.3
282.01730	3.7
283.02505	3.0
285.07465	1.8
289.07095	2.0
296.03180	3.8
297.04077	6.9
311.05823	2.0
319.08209	3.2
403.08304	2.4
417.09753	2.3
421.09204	2.0
437.08472	11.5
465.11932	3.0
557.14551	6.9
591.15118	46.9
605.16772	9.5
697.19543	7.8
707.17505	2.3
734.62524	1.8
737.18268	3.4
843.23230	73.0
859.21515	3.4
877.23853	11.3
995.23523	3.6
1023.26965	1.8
1027.26196	3.4
1163.31970	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1164.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.9
83.05051	0.5
85.71915	0.5
95.05025	2.5
105.20252	0.5
106.04242	0.6
109.02934	0.5
109.06584	12.2
111.04522	5.4
111.08152	1.1
112.05301	0.6
121.02935	6.0
123.08106	1.8
125.02385	0.6
127.07681	3.9
135.08180	0.7
145.06598	3.5
149.09731	2.3
149.13405	0.5
155.10786	0.7
159.08144	0.6
161.13373	0.7
167.10805	0.8
169.12292	0.9
175.11240	0.7
179.10756	0.8
189.12909	0.6
193.12308	2.5
205.15842	0.6
207.13924	0.5
217.16075	0.7
221.15439	3.0
243.17566	1.0
259.17001	0.5
271.20670	9.5
277.18225	0.6
297.18634	1.6
313.18042	2.3
315.19672	100.0
319.15710	0.9
331.19061	2.0
332.19354	0.9
333.20731	56.5
419.93201	0.6
488.72455	0.5
525.21387	2.7
549.07416	0.6
567.13239	0.8
568.13257	1.0
595.12842	2.5
596.13019	3.7
1078.18433	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	1164.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
97.02961	1.1
107.01731	0.7
111.04429	0.9
112.07999	0.8
113.09708	1.5
121.02946	100.0
123.43446	0.7
125.02386	0.9
165.09233	1.5
174.32666	0.7
197.11778	5.9
293.21198	15.4
295.13406	1.0
311.12955	5.9
311.16129	0.7
311.22290	9.0
319.15485	33.3
343.15540	0.8
361.16507	1.2
373.16541	1.4
403.17728	1.0
432.34097	0.8
525.21301	82.0
792.30176	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	1169.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	1.1
90.56297	0.8
109.02948	5.2
121.02984	1.3
123.04560	0.9
125.02441	100.0
133.02917	1.4
135.79910	0.8
137.02417	9.3
139.04024	1.4
147.22195	1.0
149.02446	3.8
151.04022	7.3
157.92921	0.9
159.04538	1.2
161.02438	24.3
162.03278	1.3
163.00308	1.5
163.03983	2.1
164.01144	5.3
165.01967	8.6
167.03496	4.2
173.02277	0.9
175.04007	20.3
177.01933	42.4
179.03564	2.8
187.04094	1.7
191.03459	1.7
199.04080	3.6
201.01881	1.3
201.05559	1.5
203.03506	3.7
203.07109	2.1
205.01344	1.1
205.05161	3.6
213.05676	1.0
215.03554	1.8
217.05029	11.5
219.02982	8.5
219.06618	1.5
225.05658	1.1
228.04312	1.1
229.04956	3.4
231.02946	1.7
233.04485	1.0
239.03532	1.1
241.05060	2.1
243.02979	35.3
243.06691	1.8
245.04549	10.5
245.08258	7.0
253.05006	1.4
255.02979	8.9
256.03876	3.3
257.04492	2.0
261.04092	10.1
269.04614	7.1
271.06180	1.8
273.04034	3.5
281.04559	4.1
282.01797	1.3
283.02512	7.1
283.05573	1.0
285.04037	6.6
287.05627	11.5
289.07199	13.2
293.04507	3.4
295.02402	1.2
297.04074	4.8
297.56421	1.0
301.03668	0.9
303.05161	4.4
305.06775	3.7
339.08725	4.6
341.06396	1.2
361.03503	1.1
387.05313	1.0
389.06744	1.1
405.06125	4.9
407.07700	17.1
413.08682	1.8
423.07162	11.8
425.08746	5.9
429.08478	2.1
441.08344	1.5
449.08685	1.5
465.08224	1.6
467.09735	3.8
525.08411	1.1
569.10382	0.9
575.12054	22.4
577.13623	7.0
591.11713	13.5
593.13104	27.5
695.14417	1.4
701.15332	1.3
711.13837	1.2
713.15424	0.9
717.14844	1.9
739.16589	1.5
755.15765	1.8
771.57373	1.1
831.15051	1.3
837.18481	1.1
863.19128	1.4
865.20215	2.0
879.17212	10.6
881.19501	10.0
983.20074	10.0
999.20197	6.8
1001.21344	5.8
1017.21356	5.9
1043.22205	5.9
1169.25806	48.9
1185.29346	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.89552	0.1
51.32207	0.1
55.01887	0.3
59.01385	1.0
62.06156	0.1
71.01388	0.3
72.96122	0.2
72.96494	0.2
73.02949	100.0
73.09597	0.3
99.00883	10.4
99.92653	0.2
116.92876	1.7
117.01940	20.4
117.05606	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	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04576	0.1
55.01879	0.3
59.55096	0.1
67.63387	0.1
71.93531	0.1
73.02944	100.0
76.51020	0.1
81.42365	0.1
81.56687	0.2
99.00874	9.4
99.92615	0.2
116.92831	1.8
117.01933	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	117.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81070	0.5
57.03440	1.3
59.01384	8.3
71.01380	4.0
71.05019	29.2
73.02947	100.0
73.06606	2.3
87.00867	0.9
98.04393	0.6
99.00887	8.1
99.04510	4.9
99.91923	0.9
99.92583	20.8
109.97161	0.7
115.04033	1.2
116.92855	76.2
117.01968	19.5
117.03458	57.2
117.04328	1.2
117.05583	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	117.0346
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.82444	0.7
56.14189	0.6
58.90136	0.7
59.01390	1.2
59.46658	0.6
62.15588	0.7
64.03208	0.8
71.05032	0.9
71.22662	0.7
71.63358	0.7
73.02946	25.0
92.20052	0.9
99.00915	1.2
99.92591	28.5
116.92857	100.0
117.01974	4.2
117.03461	54.8
117.05608	0.9
117.43636	0.9
125.39259	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	117.0558
Annotation	5-Hydroxypentanoate
Peak:m/z	Relative Intensity
53.31087	0.3
54.08728	0.2
57.10577	0.2
59.01385	100.0
71.01390	1.5
71.04690	0.2
71.05020	16.6
73.02946	33.5
73.06590	1.8
79.99562	0.2
81.03461	0.9
99.00874	2.7
99.04523	5.5
99.92575	8.1
115.04023	1.9
116.92857	32.1
117.01942	6.8
117.03441	1.2
117.05576	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
93.05528	1.1
109.02972	8.7
121.02943	2.1
123.04521	2.9
125.02435	81.9
126.02741	1.8
133.02925	1.6
137.02449	19.3
139.04004	1.8
149.02409	5.1
151.03992	11.2
161.02426	13.7
161.06058	1.6
163.03972	2.6
164.01134	2.9
165.01897	6.9
167.03516	2.6
175.03954	11.5
177.01939	58.6
179.03517	7.9
187.03941	6.9
203.07169	13.9
205.01321	2.0
205.05038	7.9
215.03561	2.1
217.05081	3.0
219.02946	2.2
221.04564	1.4
229.05023	5.1
243.02924	6.0
245.04491	1.8
245.08147	22.3
255.02983	8.6
256.03671	7.2
261.03873	1.6
269.04559	1.8
273.04007	7.6
275.05518	1.3
281.04520	6.1
283.02377	4.9
285.04099	5.6
289.07184	34.0
297.03940	2.2
303.05096	2.8
305.06790	1.4
339.08670	7.8
389.07080	1.3
398.51031	1.3
407.07767	58.8
408.07959	1.5
425.02985	2.1
425.08817	53.8
441.08456	5.8
467.09885	5.2
577.13562	41.3
593.13098	100.0
844.91132	1.5
1045.22986	1.8
1171.26917	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	1171.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.7
92.04561	0.4
93.03474	0.5
97.02961	0.6
108.02199	0.4
109.02940	8.2
114.43322	0.4
119.32896	0.4
121.02924	2.0
123.04537	5.2
124.01649	0.4
125.02435	78.1
133.02962	0.6
135.04494	0.6
137.02438	18.9
139.03996	1.9
147.04561	0.5
149.02486	4.3
151.03993	10.2
159.04427	0.7
161.02429	14.2
161.06044	3.0
162.03166	1.0
163.00398	0.7
163.04016	2.6
164.01221	2.8
165.01878	5.1
166.02530	0.5
167.03516	2.6
173.06184	0.5
175.03993	11.0
177.01924	49.2
178.02531	0.9
179.02052	0.6
179.03477	7.0
187.04034	6.7
188.04802	2.3
191.03487	0.5
193.05032	1.8
201.05557	0.7
202.06424	0.8
203.03500	0.6
203.07121	10.5
205.01411	2.3
205.05060	11.4
213.05592	0.6
215.03525	2.4
215.07097	0.5
217.01465	0.5
217.05011	3.2
219.02959	0.7
219.06596	0.5
221.08121	0.5
227.07143	2.3
229.05029	5.4
230.05797	0.6
231.02957	1.9
231.06474	0.6
243.02975	5.6
243.06635	1.0
244.03372	0.5
245.04535	3.7
245.08185	23.0
245.10677	0.8
247.06136	2.2
248.95221	0.5
253.05043	0.9
255.02925	10.3
256.03781	6.7
257.04587	3.3
259.06064	0.7
261.04059	2.2
269.04617	2.0
271.06131	1.0
273.04080	7.4
275.05280	0.6
275.40448	0.4
281.04553	8.4
283.02414	3.9
284.03323	0.7
285.04019	7.0
287.05521	3.9
289.07187	46.8
295.09821	0.4
297.04004	2.9
297.07581	1.6
298.04749	0.7
299.05801	1.0
303.05188	2.7
305.06583	0.5
315.08853	1.6
321.07724	0.9
327.56851	0.5
339.08771	12.7
341.06470	0.7
357.09970	0.9
363.08603	1.5
370.41071	0.5
381.09912	2.3
389.06622	2.0
407.07733	75.1
408.08133	1.6
421.64825	0.4
423.07147	0.7
425.08826	74.5
441.08255	2.5
451.10547	4.1
467.09811	3.3
559.12708	0.7
577.13580	90.0
578.14203	0.8
592.12390	0.5
593.13074	100.0
985.18494	0.5
1171.26843	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	1171.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03438	0.4
83.01381	0.6
86.62557	0.3
91.31200	0.3
92.19518	0.7
97.02938	0.4
109.02943	4.8
111.04514	1.5
121.02911	0.6
123.00854	0.7
123.04540	1.4
125.02435	62.6
126.02788	0.6
135.04507	0.8
137.02435	15.7
138.03224	0.6
139.04018	5.4
144.80139	0.4
149.02463	1.5
150.03270	0.4
150.94702	0.4
151.04015	3.9
159.04543	0.5
161.02437	13.2
161.03773	0.5
162.03094	0.4
163.00330	0.4
163.04012	2.1
164.01175	3.2
165.01913	8.4
167.02339	0.4
167.03499	5.5
175.03989	5.7
177.01920	10.7
177.05557	1.5
178.02628	0.4
179.02063	0.6
179.03493	10.3
187.03990	2.9
188.04765	0.8
189.05637	0.4
191.03473	0.7
193.05077	0.4
199.04024	0.5
201.05612	0.4
203.03514	1.3
203.07202	3.0
204.04341	1.2
205.01459	3.1
205.05049	3.2
213.05630	0.4
215.03464	2.0
217.05121	2.1
219.03058	1.2
219.06618	6.5
221.04585	3.8
227.03320	0.4
227.07115	0.5
229.05016	3.0
231.02951	0.6
231.06665	0.5
241.05153	0.4
243.02956	6.5
243.06740	1.1
245.04526	4.7
245.08171	8.4
247.02658	0.4
255.02995	8.5
255.05994	0.4
255.06769	0.4
256.03738	3.8
257.04510	2.6
259.06119	0.6
261.03894	0.7
261.07739	2.6
263.05539	0.6
269.04434	2.7
271.06152	0.5
273.04022	3.0
274.04590	0.5
281.04556	2.6
283.02469	10.9
284.03119	0.6
285.04089	3.9
287.05618	4.0
288.05508	0.4
289.07175	14.9
297.04071	7.6
298.04776	1.4
299.05670	1.5
303.05063	0.5
305.06665	18.6
327.27777	0.4
339.08746	2.3
355.08267	1.9
381.10037	0.4
389.06430	0.6
407.07751	14.6
408.07977	0.4
423.07224	26.0
425.08813	16.2
441.08279	9.2
451.10339	2.0
467.09885	4.2
575.11951	2.4
577.13574	33.5
592.11755	0.4
593.13062	100.0
648.28741	0.4
863.67084	0.4
1003.22028	0.5
1171.27319	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	1171.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
97.20968	0.7
109.02943	3.7
125.02438	64.4
126.02769	1.6
127.02910	0.9
133.03041	0.6
137.02475	8.5
139.04016	1.6
149.02432	1.3
151.03993	6.9
161.02444	13.2
162.02841	1.1
163.00409	1.2
163.04128	0.9
164.01164	2.6
165.01871	6.6
167.03468	2.8
170.60950	0.8
175.04045	8.7
176.04332	0.8
177.01926	37.2
178.02306	0.7
179.03491	3.4
189.01860	0.8
191.03479	1.2
193.05089	1.0
203.03543	1.5
203.07182	3.1
205.05037	4.0
215.03545	0.8
216.81361	0.7
217.05063	8.1
219.02994	5.0
225.70215	0.8
227.03546	0.9
229.05089	3.9
231.02989	2.7
243.02959	25.7
244.03214	1.2
245.04488	4.6
245.08171	9.4
255.02922	5.6
256.03632	1.4
261.04095	6.8
262.04373	0.8
269.04523	3.4
273.04044	4.2
281.04636	1.6
283.02441	3.4
285.04022	4.2
287.05518	4.1
289.07217	16.8
293.04541	1.2
297.04114	1.5
297.07648	1.1
303.05103	1.6
308.96707	0.7
339.08817	1.7
341.06851	1.0
365.06882	0.9
386.77951	0.8
391.04572	1.5
407.07764	22.0
408.08041	1.3
413.08655	3.0
423.07227	1.7
424.07626	0.9
425.08517	4.4
435.70285	0.7
467.09720	1.4
525.08478	5.8
543.09448	0.8
576.12311	1.0
577.13165	3.2
587.11615	1.1
591.11279	5.6
593.13104	12.6
635.13971	1.1
695.14734	2.2
711.13892	7.7
713.15125	8.5
729.14740	4.3
755.15991	6.0
803.03864	0.9
843.19653	0.8
863.17700	1.2
865.19788	3.9
881.19482	100.0
882.19391	3.0
883.20886	1.1
892.19312	0.9
912.88055	1.1
930.00061	0.9
1003.22308	2.8
1045.23389	1.7
1171.26135	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	1173.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19476	1.3
93.32078	0.6
104.52849	0.6
107.71772	0.5
121.02946	100.0
124.84580	0.6
125.02415	2.9
128.48831	0.6
161.02448	0.7
164.01137	0.9
175.47960	0.7
273.32309	0.8
287.12744	0.8
305.13931	0.8
307.88074	0.7
433.18759	3.7
487.19940	4.9
540.79144	0.7
543.22144	1.1
545.23993	14.6
585.23517	3.8
587.25018	21.5
645.25665	2.3
993.32556	0.8
1075.29138	0.9
1173.26074	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	1175.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
87.26064	0.3
92.63605	0.3
109.02954	2.3
121.02947	8.1
125.02434	4.6
133.02945	0.4
134.88425	0.3
135.04524	0.4
137.02477	2.9
139.03902	0.5
149.02437	1.7
163.00424	0.6
164.01140	11.3
165.01912	21.0
167.03470	0.4
172.74631	0.3
175.00333	0.6
177.01924	0.3
179.03465	0.7
184.66068	0.3
187.87071	0.3
193.01392	2.2
229.05009	0.7
242.02151	0.7
243.02910	1.4
246.01660	0.3
253.05106	1.3
255.03030	0.6
256.03906	0.4
257.04550	3.7
259.06067	1.9
269.00876	4.0
269.03607	0.4
271.02429	2.1
271.06125	2.5
282.01620	1.4
283.02502	2.0
284.03162	0.5
285.04068	0.7
287.05731	2.5
291.06369	0.5
293.04645	0.5
295.05942	0.5
297.00644	0.4
298.01135	2.4
299.02353	0.4
299.05637	2.0
300.02734	2.2
301.03598	1.4
309.04416	0.4
309.07492	2.6
311.05688	0.4
313.03610	0.5
315.05115	32.8
317.06433	0.5
319.06152	0.6
321.04010	3.8
332.95984	0.3
333.07816	0.4
335.05658	2.2
351.08878	1.9
353.06662	4.3
355.04712	0.4
361.07089	2.6
365.10452	0.6
374.04257	0.6
389.06818	0.6
393.09897	5.6
405.06369	0.5
419.07776	1.6
421.05847	0.4
424.66257	0.3
433.09451	0.6
451.06503	5.3
453.08545	0.5
461.08716	0.8
471.07028	1.7
485.08835	1.5
486.09546	0.4
501.11966	0.6
503.09949	0.7
528.70007	0.3
543.12964	6.2
555.09271	0.7
569.11029	2.6
587.12000	100.0
605.16785	0.5
710.68274	0.3
966.03156	0.4
970.60980	0.3
1039.25464	0.6
1175.28503	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	1175.508
Annotation	Unknow
Peak:m/z	Relative Intensity
81.67416	0.2
96.06102	0.2
101.02856	0.2
101.07452	0.2
104.31013	0.2
120.29565	0.2
121.02952	100.0
128.68350	0.2
221.54268	0.2
234.05562	0.2
242.01183	0.2
286.80997	0.3
297.18231	0.2
299.71393	0.2
587.25031	8.0
663.66028	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	1177.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
84.22431	1.3
86.68216	1.1
89.12920	1.5
93.03415	2.0
109.02956	20.5
111.04524	19.1
111.71955	1.2
121.02911	1.4
122.66864	1.3
123.04469	1.9
124.01657	3.0
125.02455	15.1
133.02977	2.6
136.01671	1.5
137.02426	5.8
138.03220	11.6
139.04019	60.8
139.98543	1.4
151.03999	14.3
161.02422	8.3
163.00371	41.9
164.01134	54.1
165.01915	1.5
167.03488	8.8
177.01918	18.1
178.02716	38.8
179.03493	88.3
191.03555	1.8
193.05023	2.5
197.06078	1.5
204.00699	1.8
219.02980	1.6
242.05795	2.0
255.03096	1.5
255.06593	2.2
257.04529	19.2
257.07257	2.4
267.06677	9.2
269.04535	13.4
270.05249	9.0
271.06165	5.5
281.04553	1.8
283.02435	2.8
283.06143	5.6
285.07684	27.9
287.09222	2.7
296.03174	12.6
297.04080	8.7
299.05661	10.2
301.07126	5.0
309.04099	2.9
311.05670	7.2
319.08289	14.4
325.03339	1.6
403.08109	2.4
416.57449	1.8
433.09378	1.4
437.08701	17.0
451.10342	7.9
465.11676	3.1
543.13513	1.6
557.14362	1.7
571.16125	21.4
573.14148	7.7
587.15704	7.0
589.16754	2.5
605.16687	100.0
689.16821	6.4
723.19031	1.4
825.22443	1.8
857.24481	21.9
873.22717	1.7
891.25623	10.6
1009.25714	15.2
1023.27319	2.5
1145.31421	5.6
1159.31531	2.5
1177.33411	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1180.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02442	2.6
99.00904	0.2
101.04033	0.2
104.05074	0.9
113.02479	0.3
117.03467	0.3
119.05017	3.3
120.04532	2.2
121.02952	27.2
131.03516	0.3
132.04550	2.0
135.04509	0.5
148.62935	0.2
150.13930	0.3
157.06520	0.2
163.03960	0.2
172.46881	0.2
177.12840	0.3
191.14421	4.1
193.15976	5.9
204.06694	0.3
210.09253	6.5
213.02670	0.2
222.09212	0.5
237.14964	100.0
238.08728	15.5
266.08307	4.3
284.09293	86.5
301.14441	0.4
308.09174	0.4
319.15576	1.4
326.10376	6.7
451.19772	4.3
493.20712	1.4
511.21896	1.0
535.21826	0.4
553.22748	0.4
633.25470	2.8
657.25592	7.9
675.26428	3.4
760.30109	0.3
873.08557	0.3
900.34741	1.1
924.35730	0.4
942.35443	2.4
1180.50342	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	1186.523
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02175	0.3
92.20051	0.2
97.02985	0.1
121.02968	0.6
122.62452	0.1
139.07660	0.1
147.11798	0.2
149.13350	0.2
153.09216	0.1
157.10243	0.1
165.12740	0.2
175.11284	0.3
177.12779	0.2
185.13356	7.4
187.11378	0.1
191.14420	2.8
193.15996	2.8
201.12885	0.6
203.14447	2.0
219.13893	2.1
221.15475	51.5
235.13377	0.3
237.14963	5.0
262.08344	0.2
262.10855	3.0
265.14459	100.0
310.02588	0.2
323.69742	0.2
602.81207	0.1
644.50885	0.2
1186.51672	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	1186.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02148	1.3
92.20174	1.2
93.34679	0.6
95.04971	0.6
99.00864	1.3
114.09258	0.8
115.07653	3.0
119.05038	1.5
121.02956	9.0
134.06128	1.1
137.09767	1.0
147.11824	3.2
149.83530	0.7
159.09857	0.7
162.05597	1.0
163.11308	2.8
165.12801	1.0
179.14433	6.1
180.06673	3.4
189.12871	11.7
191.14430	21.4
193.12415	4.5
193.15976	2.9
197.14853	0.8
201.12889	0.9
203.10873	1.0
203.14430	8.9
204.11459	0.9
204.14720	1.3
205.15987	100.0
207.13908	4.0
209.15549	1.3
219.13881	9.8
232.13423	6.6
237.14906	5.5
247.13454	5.5
248.13776	3.3
249.14970	61.8
260.13025	1.1
278.13977	68.3
291.38437	0.6
319.15292	1.1
320.15018	3.8
382.42386	0.7
451.19467	1.2
508.63165	0.8
511.22278	0.8
595.20123	0.7
633.26257	1.0
657.25360	3.4
675.26892	1.3
762.26410	0.7
1186.56323	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	1187.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
82.98901	0.3
83.01404	1.2
92.19415	0.3
97.02937	0.5
99.28704	0.2
109.02960	4.3
121.02950	1.3
123.04514	2.2
125.02442	35.2
137.02446	8.3
139.04010	0.4
149.02420	2.8
151.04008	5.4
159.04471	0.4
161.02434	1.5
161.06099	1.2
163.04016	0.5
164.01176	1.0
165.01886	2.4
167.03490	1.8
175.03999	5.0
177.01935	45.7
179.03511	3.6
185.05945	0.3
187.04001	3.9
188.04755	0.7
189.05550	0.5
202.06410	0.5
203.03564	0.4
203.07155	5.6
205.01463	0.5
205.05086	4.7
215.03519	1.3
217.05019	1.9
219.02960	0.3
219.06424	0.3
221.08235	0.5
227.07132	1.4
229.05037	3.0
230.05647	0.3
231.02985	0.5
243.03058	2.6
245.04430	0.4
245.08209	12.2
247.06052	1.2
253.04991	0.4
255.02971	4.1
255.05569	0.3
255.06743	0.3
256.03790	3.4
257.04520	1.5
259.06158	0.6
261.04050	1.6
269.04742	0.6
271.06235	1.0
273.04117	4.0
281.04633	4.3
283.02539	2.0
284.03229	1.1
285.03995	3.8
289.07187	19.8
295.09628	0.4
297.03983	1.5
297.07593	1.1
303.05011	2.3
315.08765	0.6
321.07684	0.4
339.08792	5.7
341.06674	0.4
357.09915	0.4
363.08749	0.4
381.09668	0.4
389.06531	1.0
407.07748	36.4
408.08075	0.4
425.08813	39.8
426.09161	0.6
441.08304	1.8
467.09769	3.4
523.98169	0.3
575.12024	0.4
579.25073	0.3
593.13092	100.0
594.13306	1.7
761.85553	0.3
865.20190	0.5
917.30786	0.4
1187.25439	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	1187.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	0.4
92.19503	0.3
93.03468	0.5
97.02931	0.4
109.02943	5.0
109.03583	0.4
121.02966	1.4
123.04511	3.7
123.36436	0.2
125.02440	39.8
135.04524	0.4
137.02451	9.6
139.04039	1.6
149.02441	3.5
151.03998	7.5
159.04524	1.1
161.02458	1.7
161.06078	1.4
163.00380	0.5
163.04050	1.7
164.01122	1.5
165.01933	3.9
166.02661	0.3
167.03465	1.8
175.04005	7.4
177.01933	47.6
178.02412	0.4
179.03484	3.9
185.06206	0.3
187.04024	3.6
188.04755	1.1
189.05649	0.4
191.03522	0.6
193.05127	1.0
202.06422	0.4
203.03468	0.5
203.07164	5.3
205.01424	0.6
205.05067	5.7
213.05670	0.9
215.03526	2.2
217.05057	1.7
217.08791	0.4
219.02988	1.1
219.06645	0.4
221.04669	0.4
221.08174	0.5
227.07184	1.3
229.05023	4.0
230.05850	0.5
231.02974	1.4
231.06540	0.4
242.02138	0.3
243.02986	3.0
245.08186	13.9
247.06126	1.3
253.05167	0.6
255.02986	7.1
255.05984	0.4
255.06754	0.4
256.03760	4.7
257.04581	1.9
259.06171	0.5
261.04001	2.5
269.04507	0.6
271.06174	1.3
273.04083	5.1
274.04868	0.4
281.04584	6.4
282.01556	0.3
283.02444	3.6
284.03281	1.5
285.04080	5.8
287.05859	0.4
289.07187	21.6
297.00937	0.4
297.04059	3.1
297.07669	1.4
298.04736	0.5
303.05087	2.9
305.06747	1.6
315.05161	0.4
315.08792	1.1
339.08804	9.3
341.06882	0.4
357.09900	0.4
363.08789	1.2
381.09891	1.5
389.06769	1.3
407.07748	55.9
408.07983	0.5
423.07455	1.3
425.08838	65.0
426.09094	0.5
441.08203	2.3
467.10059	3.4
474.70844	0.3
586.39282	0.3
592.12091	0.4
593.13092	100.0
594.13452	1.0
848.67694	0.3
913.65253	0.3
1160.11682	0.3
1187.25635	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	1187.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77052	0.5
83.01384	0.6
92.19498	0.5
98.47038	0.5
105.63950	0.6
109.02935	6.3
121.02959	0.7
123.04508	4.1
125.02433	55.4
126.02745	1.0
133.02885	0.5
137.02455	12.9
139.03992	2.4
149.02434	4.0
151.04019	7.8
161.02435	4.4
161.06116	1.0
163.00388	1.0
163.03998	1.0
164.01135	0.9
165.01900	5.9
167.03511	2.8
168.86694	0.6
172.63715	0.6
175.03981	9.2
176.01083	0.6
177.01924	59.0
178.02299	2.3
179.03471	5.7
187.04074	3.9
188.04840	1.0
191.03384	0.9
193.05054	0.8
202.06418	0.7
203.03427	0.7
203.07195	5.5
205.01471	0.7
205.05060	7.1
215.03578	2.1
217.01355	0.7
217.05098	3.9
219.02911	2.0
219.06548	1.1
221.04628	0.9
227.07185	0.7
229.04999	3.4
243.03021	6.9
244.03461	0.8
245.04547	1.0
245.05484	0.7
245.08188	14.7
247.05995	0.8
253.04982	0.6
255.02951	7.1
256.03748	5.0
257.04547	2.0
259.05991	0.6
261.04031	4.0
271.06296	0.8
273.04123	3.9
281.04553	4.8
283.02368	3.9
284.03104	0.6
285.04059	6.1
289.07193	25.7
297.04001	3.1
297.07300	0.9
299.05453	0.9
303.05197	2.5
305.06580	2.9
315.08737	0.6
339.08707	8.3
363.08841	0.8
381.09561	1.3
407.07739	45.3
423.07266	4.4
425.08823	44.6
441.08383	3.0
467.09818	4.4
549.14490	0.7
575.11603	1.1
593.13074	100.0
594.13489	1.2
646.22693	0.5
881.19281	3.5
898.19427	0.6
1001.21790	0.7
1042.72534	0.5
1187.24377	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	1187.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
87.89063	0.1
107.01379	0.2
125.02435	0.5
141.06935	0.1
148.33635	0.1
151.00328	1.3
153.01949	0.1
163.00354	0.8
174.03178	0.2
187.03981	0.1
189.05595	0.2
192.58064	0.1
197.06065	0.2
199.04077	0.2
211.04025	0.2
213.02136	0.1
213.05585	0.7
216.41373	0.1
217.05135	0.1
227.03520	3.0
229.05028	2.7
239.03561	0.4
240.04385	0.2
241.05063	0.8
255.02985	9.2
256.03787	2.2
257.04572	3.3
267.02933	0.6
269.04453	0.1
276.31839	0.1
283.02649	0.1
284.03268	58.9
285.04044	76.0
286.04251	0.1
327.05038	1.5
551.21765	0.1
593.15167	100.0
594.15265	0.5
889.10510	0.1
1012.76813	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
56.35948	0.6
67.05006	0.7
68.37822	0.7
86.09209	0.7
99.64133	0.7
107.34969	0.6
119.05023	100.0
119.56418	0.7
123.79547	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01381	3.3
61.56983	0.5
62.57336	0.5
71.01399	1.2
71.05029	0.6
72.99311	2.3
73.02995	0.5
75.00842	1.0
105.58537	0.5
113.61561	0.5
118.92680	1.1
119.05027	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	1191.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
82.64001	0.2
87.56345	0.1
132.02167	0.3
171.55583	0.2
200.15056	0.2
208.76741	0.2
221.75169	0.2
323.52493	0.2
358.04596	0.3
388.05899	15.1
389.06659	2.9
390.03848	0.2
403.08258	23.0
412.06058	0.3
415.04602	4.1
426.03430	0.2
426.09177	0.2
427.08646	0.3
445.09256	0.3
463.08667	0.2
475.08365	0.4
476.09216	0.3
491.07742	3.3
492.08542	0.3
502.07339	0.3
503.07779	0.3
505.05685	1.0
518.06305	0.4
519.07233	17.3
520.08038	6.5
530.06897	0.3
531.07324	1.8
533.04980	1.0
534.06012	4.0
546.05737	0.2
547.06763	8.1
548.07532	27.4
549.08276	18.3
549.16986	0.3
563.09845	15.5
563.95593	0.3
564.95825	0.2
565.03790	0.3
580.06219	2.5
595.12524	100.0
607.09192	0.7
648.50598	0.2
1158.43896	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	1193.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
89.31845	0.4
92.19468	0.4
93.03449	0.9
94.33726	0.4
97.02964	0.4
102.71835	0.4
109.02964	3.9
111.04505	0.9
121.02942	8.2
123.04459	0.6
124.87891	0.4
125.02431	5.4
135.04498	0.7
137.02484	3.3
138.03191	1.0
139.04010	6.9
149.02446	0.7
151.03947	0.9
154.96306	0.5
161.02362	0.7
163.00301	1.9
164.01151	16.1
165.01918	21.2
175.00339	2.1
177.01921	3.0
178.02713	2.0
179.03516	5.6
193.01430	2.4
229.05077	0.6
243.02982	0.8
253.04970	2.6
256.03732	0.9
257.04620	5.1
259.06039	2.2
269.00977	4.5
271.02780	1.4
271.06055	2.8
282.01648	1.0
283.02365	3.3
284.03146	0.5
285.04047	0.7
287.05615	2.5
291.06647	0.5
293.04443	0.6
298.01218	1.7
298.04425	0.4
299.02267	0.4
299.05554	2.2
300.02661	2.6
301.03549	2.0
307.06320	0.6
309.07605	3.3
311.02155	0.4
311.05695	1.8
313.03638	0.8
315.05118	37.9
319.08426	0.6
321.04291	3.4
335.05634	0.9
340.02057	0.5
351.08807	1.8
353.06680	3.8
361.07315	3.4
365.10394	1.0
374.04208	0.7
389.06509	0.6
393.10004	6.1
405.05698	0.7
407.07269	0.5
419.08130	0.9
437.09088	0.6
451.06110	4.4
453.08347	0.7
455.16513	0.6
461.08908	0.7
471.07034	1.9
485.08661	0.9
493.08450	0.5
501.11740	0.7
503.09918	0.7
543.13000	5.0
555.09216	1.0
569.10626	1.0
573.13940	0.7
587.12000	100.0
605.16846	12.3
605.26263	0.7
635.14526	1.8
845.82556	0.5
1057.26587	2.1
1193.27722	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	1194.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
84.52100	0.5
89.02418	0.9
92.19396	2.1
98.14807	0.6
119.04990	4.6
120.04532	3.2
121.02073	1.0
121.02952	30.5
132.04558	1.5
145.71078	0.6
191.14487	0.8
205.15990	34.6
207.17555	51.3
210.09262	8.4
222.09093	0.7
225.18614	19.1
238.08723	19.3
244.95840	0.6
251.16525	82.1
266.08191	5.0
284.09286	100.0
285.09637	2.7
319.15668	2.3
320.97577	0.6
326.10294	6.5
387.22858	0.7
451.19812	3.9
535.22552	0.8
626.65045	0.7
633.25385	3.0
657.25793	8.7
673.30029	0.7
675.26312	2.4
942.36169	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	1195.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
84.52856	0.8
86.49288	0.8
102.40190	0.8
109.02962	3.3
123.04469	1.1
125.02444	64.9
137.02449	7.7
151.04028	5.6
159.04544	0.9
161.02454	19.8
163.04004	1.5
164.01152	2.0
165.01894	4.1
173.00946	0.9
175.04031	8.2
177.01924	7.0
179.03555	1.8
187.04021	1.3
189.01863	1.1
199.04025	1.0
203.03510	1.7
203.07133	3.3
205.05116	3.5
211.90579	0.8
217.05060	6.8
219.02925	2.0
229.05025	1.0
243.02982	21.5
243.06657	1.7
245.04462	9.0
245.08154	7.0
255.03017	2.0
256.03906	1.0
261.04022	5.5
269.04407	2.0
281.04550	1.8
283.02588	1.9
285.04099	1.4
287.05624	8.0
289.07230	15.4
299.05612	1.0
383.07693	1.0
407.07819	19.2
413.08920	2.0
424.32950	0.8
525.08160	1.4
532.94373	0.9
575.12006	16.1
577.13525	8.0
695.14117	14.6
713.15289	10.4
739.17065	3.1
865.19983	100.0
924.91382	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	1200.5758
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02151	0.2
96.03602	0.2
97.06602	0.3
99.01019	0.2
99.08124	0.2
114.09246	0.4
115.07652	2.7
119.05010	0.4
121.02951	8.9
132.04567	0.3
134.06116	2.2
144.04536	0.2
147.11800	6.5
149.13345	3.5
151.11258	0.5
162.05595	1.0
163.11279	0.3
167.07140	0.3
175.11278	0.3
179.14458	1.5
180.06651	2.4
181.16037	0.2
187.14955	0.3
189.12848	2.6
191.14436	3.8
193.12358	1.1
201.12990	0.4
203.14430	1.1
204.14001	1.2
205.15984	92.8
207.13904	0.8
209.15392	0.3
219.13921	1.2
221.15475	12.0
232.13411	6.0
237.14946	0.9
249.14961	100.0
260.12936	1.5
278.13980	50.5
320.15021	2.5
465.21359	0.9
507.22540	0.4
525.23242	0.4
629.26245	0.2
647.27417	1.2
671.27289	4.2
689.28351	2.2
738.54871	0.3
932.41003	0.9
950.42596	0.4
1200.57593	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	1203.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.5
97.34245	0.4
109.02929	4.3
111.04483	0.8
121.02926	2.4
123.00901	0.5
123.04509	2.4
125.02438	54.2
126.02757	0.7
131.05080	0.5
135.04533	0.6
137.02444	14.1
139.04002	5.7
149.02422	3.3
151.03969	4.5
159.04550	0.5
161.02412	2.7
161.06186	0.7
163.03979	0.8
164.01112	0.6
165.01929	8.9
167.03488	6.6
173.06114	0.4
175.03986	7.4
177.01927	51.2
178.02586	0.6
179.03508	9.7
181.05096	0.7
187.03990	2.8
188.04765	0.6
189.01863	0.7
189.05495	0.7
191.03461	0.6
191.07207	0.6
193.05063	0.6
201.05650	0.6
203.03490	1.7
203.07141	2.2
204.04256	0.5
205.01479	0.7
205.05063	2.7
215.03497	2.7
217.05035	2.5
219.03041	0.5
219.06595	4.7
221.04478	3.1
227.03561	0.7
229.05020	2.5
231.02925	0.9
231.06593	0.5
243.02931	6.9
243.06683	0.9
245.04420	1.0
245.08205	5.0
247.06126	0.5
255.03011	10.9
256.03769	4.0
257.04541	2.0
259.06079	0.5
261.04059	2.8
261.07629	2.4
263.05417	0.6
269.04562	1.8
271.06140	0.8
273.04108	5.1
281.04599	3.2
282.01859	0.7
282.99615	0.8
283.02481	12.4
284.03253	0.5
285.04080	6.3
287.05408	0.6
289.07199	9.9
297.04092	9.6
298.04657	0.6
299.05649	0.8
303.05164	4.2
305.06683	15.0
315.05017	0.4
339.08865	4.8
355.08188	2.6
379.08365	0.6
381.09732	0.6
405.05728	0.8
407.07785	22.3
423.07220	34.7
425.08777	31.6
441.08282	31.6
467.09579	0.9
483.09412	2.7
593.13074	51.3
594.13232	0.8
607.11060	0.9
608.11615	1.9
609.12537	100.0
610.12488	0.7
897.18390	0.9
1203.27356	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	1203.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03468	1.8
99.18578	0.2
109.02288	0.3
109.02962	3.4
109.41365	0.2
121.02955	7.1
123.04545	0.3
124.01678	0.5
125.02476	0.4
133.02957	0.3
134.03712	1.6
134.04623	0.2
135.04546	0.5
137.02440	3.0
139.04016	4.6
149.02438	2.1
151.00365	1.5
151.03998	1.5
153.01913	2.4
163.00366	2.8
164.01173	2.1
164.19185	0.3
165.01921	22.0
167.03474	2.0
175.00374	1.0
178.02699	2.1
179.03508	4.8
193.01392	2.9
241.05003	0.3
243.02975	0.3
245.00830	0.3
245.04503	0.6
252.04175	0.3
255.03085	0.4
256.03702	1.2
257.04474	1.2
267.06635	1.5
269.00964	0.9
269.04544	2.0
270.05310	0.6
271.02502	1.2
271.06116	5.1
273.07755	3.5
279.02914	0.3
281.04535	1.3
283.02536	3.4
285.01144	0.4
285.04031	6.6
285.07660	1.4
287.05637	1.2
296.03336	0.6
297.00381	1.0
297.04022	1.1
298.04901	0.5
299.02271	0.3
299.05438	1.8
300.02762	4.2
300.05939	0.5
301.03558	1.6
301.07239	1.2
309.07608	0.3
311.05545	0.4
312.02753	6.1
313.03513	2.1
313.07208	1.8
314.04318	0.3
315.01340	0.5
315.05112	15.2
317.06696	2.8
327.05222	1.3
329.06689	9.5
331.08270	4.9
351.08679	0.5
357.06177	0.4
360.06311	0.6
372.06299	0.4
373.07162	1.0
375.08804	1.6
388.05811	0.9
389.06360	0.4
391.08572	0.3
401.06802	2.4
403.08246	1.3
407.07104	0.3
415.08408	0.5
417.06186	0.4
418.06940	1.3
419.03610	1.9
419.08652	3.9
430.07169	0.3
433.09903	2.8
435.07132	1.6
447.11002	0.4
451.09998	0.4
465.07617	1.0
467.09869	6.3
569.10895	9.4
583.12762	0.4
601.13580	100.0
1203.23718	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	1207.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
121.02946	65.6
125.02445	1.6
149.06094	2.7
151.03903	1.5
165.09155	5.0
167.07147	1.9
168.28062	1.2
193.08795	1.2
207.10236	2.0
289.07028	1.4
379.17624	1.7
501.21323	23.4
519.22302	4.5
561.23486	21.5
621.20807	100.0
1207.39661	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	1208.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
93.93752	0.5
111.43261	0.5
206.99646	0.5
221.15471	100.0
265.14450	52.3
284.09222	2.3
430.35480	0.6
1091.19263	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.93758	0.1
55.21618	0.1
60.47200	0.1
61.44586	0.1
67.15898	0.1
71.01376	0.3
91.01920	0.2
92.02672	0.5
93.03470	1.0
95.01360	0.1
108.02175	1.0
116.79636	0.2
120.02158	0.6
121.02953	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	121.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29339	0.2
51.88247	0.1
54.02761	0.1
57.42021	0.1
67.87589	0.2
80.62584	0.2
92.02712	0.3
92.20058	0.2
93.03442	1.3
100.83501	0.2
107.00294	0.2
107.67501	0.2
108.02162	1.0
120.02135	0.3
121.02952	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	1217.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
116.23629	0.3
132.26840	0.3
151.00371	1.8
163.00404	0.6
168.40335	0.3
178.99911	0.5
197.06142	0.4
199.03960	0.4
213.05618	1.4
227.03497	3.1
229.05040	2.1
241.04930	0.6
243.03033	0.8
255.02945	10.8
256.03763	0.8
257.04462	3.4
259.06244	0.4
269.04538	0.4
271.02530	2.9
272.03366	0.4
284.03262	62.5
285.04041	82.0
287.05603	0.5
299.02066	7.1
299.05365	0.7
300.02716	8.1
314.04340	15.8
315.05118	30.0
327.05054	0.6
383.88162	0.4
456.44803	0.4
593.15155	100.0
623.16272	29.9
623.24878	0.7
1003.04987	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	1219.3
Annotation	Unknow
Peak:m/z	Relative Intensity
106.82368	0.1
107.01398	0.4
108.02203	0.1
109.02934	0.1
121.02939	0.5
125.02437	0.1
149.02417	0.1
151.00365	5.4
163.00397	0.5
164.89439	0.1
169.01483	0.1
178.99866	4.0
190.99881	0.2
191.03484	0.2
224.14754	0.1
226.02884	0.1
227.03421	0.2
229.05003	0.4
243.02979	1.1
245.04602	0.2
253.78831	0.1
254.02170	0.6
255.02986	4.2
257.04617	0.2
271.02469	9.4
272.03293	1.2
273.04166	0.7
283.02567	0.8
299.01968	0.5
300.02762	100.0
301.03543	34.9
312.46176	0.1
313.03818	0.1
343.04617	0.9
609.14697	91.9
620.47607	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	123.0452
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
59.70289	0.4
67.01896	1.0
68.99825	0.5
71.17251	0.4
74.54464	0.4
76.87175	0.4
80.02676	0.5
81.03441	4.5
91.75143	0.4
93.03453	5.5
95.00774	0.6
95.01385	17.4
95.05016	11.9
105.03451	2.5
108.02168	3.8
121.02981	0.6
122.03738	12.9
123.00879	13.9
123.04516	100.0
127.70322	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	123.0452
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
51.25524	0.6
67.01893	12.1
67.05569	0.7
77.03999	0.9
80.02699	9.6
81.03461	60.3
93.03470	1.9
95.01394	22.4
95.05024	39.6
105.03460	0.9
108.02175	9.5
123.00896	16.2
123.04522	100.0
124.34553	0.8
144.73978	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	1230.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
86.25239	0.2
96.36762	0.2
116.00590	0.2
121.02931	0.5
148.05319	0.3
164.08376	0.2
177.09186	1.9
192.11577	4.9
193.12370	0.2
205.12366	1.6
218.09506	2.4
220.14688	35.7
221.15474	100.0
232.13609	0.2
235.13300	0.2
236.10541	84.8
237.11208	0.9
278.14017	2.5
293.17612	73.0
327.40073	0.2
930.17773	0.2
1230.58301	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	124.0166
Annotation	2-Aminoethylphosphonate
Peak:m/z	Relative Intensity
53.71565	0.7
55.22045	0.8
59.15532	0.7
61.20094	0.8
64.84740	0.9
66.03502	1.4
82.00613	0.8
82.03012	1.2
82.04139	3.9
87.50377	0.8
87.92524	0.8
94.02972	12.0
94.30650	0.9
96.01691	3.2
96.02187	42.3
96.04575	4.3
108.76688	0.9
111.00888	2.0
123.00877	1.6
124.01679	100.0
124.03764	29.9
124.04977	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	124.0166
Annotation	2-Aminoethylphosphonate
Peak:m/z	Relative Intensity
62.58997	1.9
66.03487	2.2
78.26487	1.8
82.04135	8.1
94.02981	20.4
96.01714	9.1
96.02226	26.5
96.04562	8.1
123.00941	4.4
124.01688	100.0
124.04056	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1246.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
90.43951	0.2
95.05002	0.2
97.06561	0.2
125.02432	14.7
151.00331	0.4
151.03607	0.2
228.53799	0.2
265.21783	0.2
267.19684	0.4
272.19632	0.2
283.22723	0.2
289.21747	1.5
303.60330	0.2
305.21185	0.2
307.22824	1.1
309.20743	0.7
313.21826	0.3
327.70398	0.2
331.22821	2.1
347.22235	0.2
349.23834	8.3
374.55017	0.2
375.21710	0.6
393.22842	100.0
444.39810	0.2
520.78552	0.2
574.25439	0.2
632.00964	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	1246.6168
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06590	0.5
99.08183	0.5
109.06588	2.3
111.04532	1.3
111.08193	0.5
114.08580	0.3
114.09222	2.5
115.07634	5.7
116.37100	0.4
116.45026	0.3
118.06685	0.4
119.05066	2.5
121.02945	13.4
121.03799	0.6
127.07645	0.3
132.04544	0.7
134.06126	3.1
144.04546	1.3
162.05518	2.4
167.10776	0.8
177.16411	0.4
179.10788	0.5
179.14441	2.2
180.06645	6.1
181.12465	0.6
195.13890	12.2
204.13901	3.0
205.12367	0.6
216.14066	0.5
217.15862	0.4
221.15424	8.3
223.13382	5.8
229.19687	0.4
232.13412	10.8
233.15446	0.4
235.17000	0.6
239.16554	2.9
243.87570	0.4
247.20621	1.3
251.16595	1.7
260.12912	3.1
273.18680	1.6
278.13977	72.0
291.16425	0.8
291.19675	20.9
301.14627	0.4
309.20721	100.0
319.15530	1.5
320.15125	2.9
372.43423	0.3
451.19720	2.2
633.25195	0.7
657.25238	3.1
675.26709	1.8
925.55823	0.3
938.15326	0.4
1235.19604	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	1250.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
90.56388	0.1
92.19412	0.3
229.08737	0.1
231.10327	0.1
243.10272	0.6
284.13409	0.1
299.12842	0.3
313.14627	0.1
314.15268	0.7
327.16074	0.6
328.16431	0.4
329.17587	100.0
330.17834	0.1
432.98068	0.1
536.72119	0.1
631.72687	0.1
633.72955	0.1
755.64642	0.1
987.39313	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	1253.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
86.71078	0.2
89.44418	0.2
101.87743	0.2
117.05486	0.4
121.02951	100.0
125.02415	0.4
173.26204	0.3
216.88554	0.3
260.30527	0.3
260.54163	0.3
339.26392	0.3
571.25647	3.8
803.38776	1.0
1252.01392	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	1254.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
87.42313	0.4
88.92355	0.3
90.62651	0.4
121.02940	5.3
167.14400	1.4
173.00517	0.3
210.09271	1.6
223.20686	2.0
231.17410	0.5
238.08719	2.8
249.18585	6.7
266.08322	0.8
267.19644	100.0
275.16574	5.8
284.09280	13.1
293.17603	34.9
311.18640	80.6
710.66541	0.4
914.79242	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	1264.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
129.59135	0.1
182.74287	0.1
187.07692	0.1
201.09235	1.4
202.10004	0.8
215.07080	0.3
229.08711	0.5
230.09441	1.8
269.11801	0.1
278.13983	0.3
284.14111	0.1
297.11389	0.5
299.16479	0.5
310.26364	0.1
311.12741	0.1
312.13684	2.1
326.53427	0.1
327.16034	100.0
1264.46423	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	1277.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
125.02316	0.5
131.32573	0.3
146.99220	0.4
151.00264	1.9
163.38350	0.3
178.99748	0.6
215.64653	0.4
217.14001	0.4
234.04861	0.4
242.02072	1.8
243.02927	2.6
255.02844	2.3
257.04385	1.6
258.01477	0.4
259.02609	0.4
259.05978	0.4
266.00128	0.4
270.01498	0.6
271.02499	8.5
272.03128	1.7
273.04019	3.9
285.04013	3.1
286.01047	0.8
286.04498	0.7
287.01859	1.7
287.05499	2.1
289.07138	0.6
299.01950	17.5
300.02768	21.0
300.06189	0.7
301.03503	5.0
302.04333	0.6
306.97867	0.4
314.04321	35.6
315.01413	10.4
315.05045	61.9
316.05685	1.9
317.06589	0.8
329.03043	27.0
330.03784	22.0
344.05368	31.4
345.06140	59.4
433.35114	0.4
623.16223	84.6
645.46350	0.4
653.17310	100.0
863.10858	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	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
85.02947	100.0
91.08118	0.3
117.20762	0.3
129.01955	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63433	0.3
52.80527	0.3
56.44625	0.3
57.03450	0.4
57.85565	0.3
66.34811	0.3
78.26028	0.3
79.71195	0.3
80.48692	0.3
82.50092	0.3
85.02948	100.0
92.20038	0.5
129.01920	5.3
131.65865	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	1295.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
98.56666	6.2
110.62273	5.9
214.50888	7.1
221.23824	6.6
267.93478	8.3
665.23486	100.0
963.14160	7.7
979.79620	7.7
994.54565	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06601	0.3
84.08190	1.5
89.96719	0.2
103.78869	0.2
113.06055	0.3
130.08737	100.0
137.19810	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	131.035
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
51.24103	0.2
52.38998	0.2
62.16773	0.2
63.67688	0.2
69.03463	1.5
73.38092	0.2
87.04517	100.0
111.82194	0.2
113.02445	6.4
124.06494	0.2
131.03505	23.1
137.57643	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
50.19894	0.3
50.26674	0.3
52.23897	0.3
52.24142	0.3
52.70300	0.3
56.79084	0.3
56.99029	0.2
73.02937	1.2
73.56060	0.3
82.27813	0.3
83.05045	0.5
85.02930	0.3
85.06590	100.0
87.04523	3.9
90.99679	0.3
91.38913	0.3
92.19448	0.8
94.99831	0.4
113.06071	0.6
129.05612	0.5
131.03532	0.7
131.07141	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	1312.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
121.02951	2.3
125.22871	0.1
187.07568	0.2
201.09178	1.7
202.09950	0.9
215.07156	0.2
223.04080	0.2
224.40881	0.1
229.08745	0.5
230.09448	2.5
241.08667	0.1
284.14157	0.1
297.11401	0.2
299.16562	0.3
312.13770	2.3
319.15549	0.3
327.16034	100.0
387.13614	0.2
451.19919	0.9
462.64493	0.1
535.22375	0.2
648.25580	0.2
657.25592	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33911	0.2
55.48754	0.2
57.29391	0.2
59.01385	1.0
64.31657	0.2
71.01383	47.7
72.99307	8.9
78.22597	0.2
83.73747	0.2
87.00879	0.9
89.02447	6.6
98.25307	0.2
105.03446	0.4
115.00369	100.0
118.58843	0.2
124.31972	0.2
133.01436	29.4
133.03029	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01385	0.4
60.57053	0.2
71.01380	49.9
72.99307	10.0
77.60653	0.2
77.76653	0.2
84.48562	0.2
87.00861	1.3
89.02438	7.1
98.33802	0.2
105.03478	0.5
111.01205	0.2
115.00364	100.0
121.03030	0.3
122.92117	0.2
133.01427	30.0
133.03017	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11922	0.1
59.01380	0.9
70.87950	0.1
71.01382	48.8
72.99305	9.0
87.00443	0.1
87.00866	1.2
89.02445	7.6
89.02991	0.3
89.04375	0.4
114.87099	0.2
115.00369	100.0
115.13324	0.2
133.01436	29.4
141.59673	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.35077	0.2
59.01384	0.8
69.96664	0.2
71.01379	50.7
72.99306	10.6
76.34712	0.2
78.00614	0.2
79.22305	0.2
87.00866	0.9
88.07278	0.2
89.02445	6.4
109.37991	0.2
115.00363	100.0
117.09164	0.2
118.97352	0.2
122.77773	0.2
132.86729	0.2
133.01428	28.3
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	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
59.65095	0.2
62.52901	0.3
71.01381	50.7
72.99310	10.7
74.75630	0.3
78.22285	0.3
78.65691	0.3
79.00404	0.3
87.00877	0.6
89.02442	7.7
92.20061	0.3
112.67970	0.3
115.00365	100.0
131.70183	0.3
133.01431	31.7
133.03020	1.0
135.61075	0.3
140.61272	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38934	0.2
57.03470	0.3
59.01379	1.2
59.37033	0.2
71.01380	46.3
71.08960	0.2
71.31454	0.2
72.99309	10.1
87.00860	1.2
89.02444	7.5
105.52703	0.2
110.77304	0.2
115.00366	100.0
115.13453	0.3
133.01431	30.5
133.05046	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01384	0.4
67.15581	0.2
68.73604	0.2
69.70490	0.2
71.01382	49.9
72.99306	10.1
87.00857	1.1
89.02439	7.0
115.00368	100.0
133.01431	28.8
133.02896	0.3
149.86453	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
71.01379	45.2
72.99303	10.1
78.65707	0.2
79.54533	0.3
87.00870	1.5
89.02441	7.1
89.89503	0.2
94.29840	0.2
113.32481	0.2
115.00363	100.0
133.01427	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	133.0507
Annotation	Deoxyribose
Peak:m/z	Relative Intensity
51.24377	0.4
57.03456	96.1
59.01385	0.7
69.03461	19.9
70.93596	0.6
71.01385	52.9
72.99313	12.6
73.02943	1.2
75.00876	0.6
80.85299	0.5
85.02962	4.0
87.00871	6.6
87.04511	28.7
89.02452	8.6
89.72852	0.5
93.77589	0.5
115.00372	80.3
115.04021	7.2
133.01440	20.7
133.05077	100.0
137.61958	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	133.0505
Annotation	3-Deoxypentosone
Peak:m/z	Relative Intensity
57.03442	1.2
59.01368	5.5
65.01450	25.6
67.02999	0.9
71.01381	96.6
72.99304	9.3
73.02969	0.9
74.69984	0.8
75.00868	1.5
81.04572	1.2
82.04121	1.5
85.02933	1.1
87.00876	33.2
87.04532	8.7
89.02440	27.3
91.03005	9.3
92.02541	6.1
105.04561	1.9
106.03017	1.7
106.04115	26.1
115.00368	87.3
132.86797	32.9
132.90031	15.7
133.01428	27.8
133.04083	12.2
133.05074	100.0
142.13879	0.9
153.59111	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	133.0506
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
55.88745	0.6
59.01381	5.0
60.20028	0.6
61.47594	0.7
65.01118	1.2
65.01455	26.6
65.99844	0.8
66.00991	0.7
67.02996	0.8
71.01382	88.5
72.99319	6.1
73.02957	1.4
75.00845	0.9
81.04587	3.0
82.04102	1.7
87.00877	36.2
87.04512	9.2
89.02441	26.3
91.03011	9.3
92.02544	5.4
92.03346	1.2
105.04544	1.3
106.03003	1.0
106.04115	29.1
113.08343	0.8
115.00368	64.7
132.86787	21.7
132.90036	9.3
133.01431	20.1
133.03021	2.0
133.04100	9.6
133.05078	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	1334.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
93.38000	0.2
121.02946	100.0
166.97647	0.2
184.43181	0.2
190.08850	0.2
208.09821	2.0
517.56744	0.2
571.26111	1.5
661.76990	0.2
762.35602	0.7
771.87732	0.2
948.58154	0.2
1061.94409	0.2
1365.22668	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	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	2.0
72.01729	14.5
72.99272	1.4
73.99647	1.4
106.04215	7.1
107.03618	3.0
116.00710	44.9
133.02979	21.5
134.01749	10.0
134.03720	100.0
134.04733	30.7
134.06091	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	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62680	1.2
53.55021	1.3
57.21455	1.3
70.32603	1.4
71.01403	2.3
72.01721	2.9
83.08966	1.6
102.66876	1.6
106.04264	6.4
116.00694	16.1
133.02986	3.9
134.01758	2.8
134.03761	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
53.96888	0.4
58.00410	0.3
60.48359	0.3
71.01376	0.6
72.01718	2.2
89.55880	0.3
90.54618	0.3
92.02562	2.7
94.47758	0.3
97.22856	0.4
102.47706	0.4
107.03639	14.4
113.54042	0.3
116.00716	7.1
118.45967	0.4
134.01816	1.9
134.04729	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	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
50.11960	0.2
54.46258	0.2
55.01889	0.3
55.15886	0.2
55.41850	0.2
59.01386	10.7
69.03976	0.2
71.01382	12.1
72.01720	0.3
72.94352	0.2
72.99308	12.0
73.01788	4.3
73.02943	0.5
74.99737	1.5
75.00872	100.0
87.00871	19.4
89.02440	10.9
91.02877	1.1
96.96955	0.3
99.00917	0.3
107.05033	0.5
115.00344	4.7
117.00797	18.5
117.01918	4.9
134.86548	0.4
135.01872	7.3
135.02988	56.9
151.68268	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80151	0.3
65.03970	0.7
69.03452	4.6
81.03477	0.4
83.01387	22.4
88.11559	0.3
92.20091	0.7
93.03453	85.4
95.01365	0.3
105.82634	0.3
107.05025	9.6
108.02159	1.6
108.63976	0.3
109.02950	13.8
120.49165	0.3
122.03667	0.3
136.01654	0.7
136.86302	0.5
137.02446	100.0
137.06056	1.4
145.23393	0.3
146.47823	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64772	0.2
63.10358	0.2
69.03454	1.1
81.03469	0.6
83.01385	4.5
93.03452	30.1
108.02179	1.3
109.02946	4.6
119.01416	0.3
123.32770	0.3
127.31148	0.3
136.01671	3.1
137.02444	100.0
141.02232	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	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
59.21432	0.2
64.19809	0.2
66.79491	0.2
90.16833	0.3
93.03453	100.0
94.61095	0.2
109.02951	0.4
113.59522	0.2
113.98188	0.2
137.02455	16.4
157.30963	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24002	0.1
59.36803	0.1
65.03962	0.2
65.89740	0.1
66.74411	0.1
81.03450	1.0
81.86738	0.1
91.01874	0.1
93.03452	11.6
98.00491	0.1
106.31831	0.1
108.02182	1.4
109.02947	1.6
112.97639	0.1
114.19447	0.1
119.01434	0.4
136.01666	2.9
137.02446	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	137.0972
Annotation	Crocusatin E
Peak:m/z	Relative Intensity
57.03202	0.9
57.03457	17.1
58.49414	0.6
65.03965	1.2
67.51501	0.7
68.28501	0.5
81.03448	3.1
83.05024	14.8
92.19975	1.0
93.03454	100.0
95.02505	0.6
95.05052	1.1
107.05005	0.6
108.02161	2.6
109.02951	2.9
109.06576	1.2
119.08693	1.0
135.08186	6.9
136.01668	1.4
136.86290	1.0
137.02451	56.8
137.09726	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.19564	0.2
59.38420	0.2
59.48440	0.2
62.16911	0.2
68.99368	0.3
94.03799	2.0
96.24966	0.3
108.02171	29.7
123.03252	0.5
136.44542	0.3
138.01968	100.0
138.05606	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.86643	0.2
60.80654	0.2
108.02179	31.7
119.84550	0.2
129.02130	0.2
134.35417	0.2
138.01978	100.0
149.52032	0.2
151.62436	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	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
62.07324	0.3
63.10944	0.3
75.02965	0.4
87.34512	0.3
93.03455	1.6
94.03055	2.5
94.03794	8.5
94.06655	0.5
95.05042	0.7
110.00100	0.5
110.02488	0.5
122.02464	1.7
123.03262	41.7
137.99637	0.6
138.01903	2.9
138.02849	4.5
138.05612	100.0
152.59224	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	139.0401
Annotation	Gentisyl alcohol
Peak:m/z	Relative Intensity
53.02797	0.2
55.01877	0.7
65.00330	10.0
65.03970	6.9
67.01889	23.1
68.99812	0.6
76.75660	0.3
77.03968	22.2
81.03453	19.3
83.01375	1.6
93.03451	14.9
94.98078	0.7
95.01365	0.6
95.05001	2.8
97.02942	0.5
101.02491	0.4
107.46462	0.3
109.02946	100.0
111.00890	5.3
111.04570	0.6
113.94643	0.3
117.68490	0.3
118.17832	0.3
121.02946	23.5
124.01659	3.3
139.00398	3.8
139.04015	4.7
139.05034	0.7
139.06012	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	139.0403
Annotation	4-Hydroxymethylcatechol
Peak:m/z	Relative Intensity
52.04103	0.6
52.42137	0.5
55.01881	1.0
58.17161	0.5
67.01890	3.2
69.03443	2.5
70.20196	0.5
78.54711	0.5
80.02655	2.2
81.03456	5.5
83.01391	1.3
83.05013	2.5
93.03454	12.5
95.01419	0.6
95.05021	6.4
97.02962	2.2
99.00838	0.6
109.02949	27.2
111.00880	13.9
111.04517	17.6
121.02937	2.4
124.01656	18.6
137.02449	1.0
138.03226	2.2
139.00414	8.7
139.04016	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	139.0401
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
63.02397	2.2
68.88401	0.3
85.58604	0.3
95.05019	0.6
95.43939	0.3
96.02163	2.7
97.02984	0.7
97.14149	0.3
111.00888	1.8
114.70160	0.3
120.05496	0.3
124.01649	100.0
139.00334	0.7
139.04007	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	139.0401
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
50.21795	0.1
57.49535	0.1
63.01537	0.1
63.02402	2.1
67.01922	0.2
73.25901	0.1
77.76701	0.2
83.01375	0.2
90.70972	0.2
95.05022	1.2
96.02177	2.6
97.02975	1.1
99.08775	0.2
107.01337	0.2
111.00892	2.1
111.30465	0.2
124.01656	100.0
137.00328	0.2
139.00455	1.3
139.04015	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	139.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	19.2
63.52839	3.4
67.01892	9.3
83.01407	9.2
93.03504	5.4
95.01370	5.5
95.05013	7.3
109.02949	18.9
111.00880	74.9
111.04509	8.1
111.08162	9.1
124.01661	81.7
139.00381	63.0
139.03018	6.9
139.04024	100.0
139.07655	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	139.0765
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
60.41619	4.3
62.39042	4.9
62.84164	4.5
65.03939	4.8
67.01894	20.1
95.01366	7.0
111.00869	100.0
111.37553	5.3
124.01637	74.0
139.00386	82.2
139.02998	5.0
139.04002	31.7
139.07657	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0766
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
52.31303	7.4
70.96058	8.4
111.00881	56.4
124.01673	36.3
139.00394	38.4
139.03979	41.2
139.07672	100.0
152.63312	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	139.0766
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
67.01890	7.8
67.29397	9.0
75.90195	9.1
84.42409	9.5
95.84943	9.7
108.64086	10.2
111.00886	43.0
112.96758	8.1
124.01674	33.0
139.00368	36.7
139.04047	21.0
139.07648	100.0
152.66141	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	139.1129
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
55.01889	1.8
57.03451	1.3
59.01388	1.2
67.01888	7.4
67.26303	1.3
69.03450	8.9
70.20428	1.2
83.01383	3.2
83.05032	3.1
85.06586	18.4
92.19447	3.8
94.98063	1.7
95.05018	7.6
96.96010	1.3
97.06590	24.6
111.00871	32.5
111.08157	2.1
123.08174	12.6
124.01661	49.8
139.00375	24.5
139.02289	5.1
139.04030	16.5
139.05022	2.0
139.11293	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	1391.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
98.99795	0.1
107.01407	0.2
121.02966	0.3
125.02344	0.2
151.00363	3.8
163.00366	0.6
178.72572	0.1
178.99850	3.4
187.03819	0.2
211.03897	0.2
227.03412	0.3
229.05016	0.3
243.02940	0.8
254.02203	0.6
255.02983	5.3
255.05696	0.2
257.04706	0.2
271.02472	9.1
272.03177	0.7
273.04056	0.9
283.02582	0.7
299.01880	0.3
300.02753	100.0
301.03528	43.2
304.21133	0.2
435.70346	0.2
463.08856	83.5
464.09311	0.3
758.95038	0.1
927.18640	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	1392.6166
Annotation	Unknow
Peak:m/z	Relative Intensity
104.74490	0.2
121.02950	100.0
125.02412	0.4
162.09268	0.3
190.08737	1.8
192.10347	0.3
208.09807	5.5
504.24045	2.5
587.24939	2.7
626.27588	2.0
641.12598	0.3
876.46979	0.2
1011.71698	0.3
1312.80432	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	140.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60021	0.2
53.62564	0.2
56.99823	0.5
59.01385	1.5
69.03443	0.3
72.99308	1.7
81.61462	0.2
85.02975	0.3
87.27871	0.3
92.57538	0.3
97.02924	0.3
98.91854	0.2
112.98810	88.3
125.99612	0.5
140.98308	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	1443.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
107.23951	0.5
109.02936	0.9
116.07679	0.5
123.04511	1.2
125.02431	41.7
137.02441	5.1
149.02319	0.5
151.03981	4.1
159.04506	0.5
161.01172	0.7
161.02438	15.5
163.03998	0.9
164.01147	2.0
164.23631	0.5
165.01917	3.2
175.03986	9.0
175.35217	0.5
177.01936	5.0
179.03523	0.6
188.04689	0.5
189.01762	0.6
201.05539	0.6
203.03534	1.2
203.07106	2.5
205.01457	0.6
205.05023	2.1
215.03508	0.9
217.05013	4.6
219.02939	2.4
227.03522	0.6
229.05031	1.1
241.91942	0.5
243.02974	15.3
243.06635	0.8
243.95436	0.5
245.04547	5.5
245.08188	6.9
247.06271	0.7
255.02937	2.9
256.03647	0.7
257.04462	0.7
261.03967	4.4
269.04449	3.1
271.02533	0.5
273.03928	2.1
281.04590	2.6
282.01682	0.8
283.02634	1.6
285.04092	3.1
287.05634	4.2
289.07193	14.1
293.04474	0.6
297.03940	0.8
299.05557	0.8
315.08691	0.5
337.07175	0.5
339.08746	1.8
341.06537	1.2
387.05035	0.8
391.04651	0.7
407.07718	16.9
413.08823	1.7
423.07443	0.7
425.08789	1.1
449.08783	0.6
451.10287	1.9
525.08264	3.3
533.10974	0.7
575.11938	8.1
577.13434	10.0
587.12158	0.7
636.90338	0.5
695.13660	4.6
713.15161	7.2
719.14099	0.6
739.17096	5.1
865.19952	100.0
1075.75134	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	1443.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02942	2.6
117.03465	0.4
121.02960	0.4
123.04509	0.7
125.02432	46.9
126.02763	0.4
133.02939	1.6
135.04559	0.4
137.02426	6.6
139.04004	0.6
149.02388	0.7
151.04013	4.7
159.04486	0.8
161.02429	17.2
161.06073	0.5
163.00305	0.6
163.03952	1.9
164.01157	1.6
165.01930	4.0
167.03488	0.4
175.03976	7.8
177.00613	0.5
177.01939	4.9
179.03526	1.5
182.98479	0.3
187.03975	1.5
189.01976	0.4
199.03947	1.3
201.01912	0.5
201.05486	0.4
203.03516	1.5
203.07112	3.4
205.01402	0.7
205.05025	3.3
213.05750	0.6
215.03444	0.4
217.01601	0.4
217.05038	6.6
219.03043	2.4
227.03418	0.7
229.05034	1.4
231.02788	0.6
242.02260	0.5
243.02972	15.5
243.06688	1.4
244.03583	0.8
245.04536	6.8
245.08194	6.8
247.05951	0.7
253.04883	0.4
255.02974	3.3
256.03680	1.9
257.04474	0.8
261.04010	4.2
269.04568	2.7
271.06018	0.7
273.04062	2.0
281.04626	2.1
283.02463	1.8
285.04022	2.8
285.07132	0.4
287.05612	6.4
289.07175	14.3
293.04529	0.5
297.04120	0.8
297.07446	0.4
299.05588	0.6
305.04391	0.4
315.08685	0.8
337.07538	0.6
339.08853	1.4
341.06601	0.8
363.08987	0.5
379.08145	0.5
381.10156	0.4
383.07578	0.5
385.81403	0.4
387.04993	0.4
391.04492	0.7
405.06161	0.8
407.07697	16.2
407.13092	0.5
408.07922	0.4
413.08820	1.7
419.07550	0.5
423.07053	0.7
425.08789	2.0
449.08701	0.6
451.10568	0.7
525.08557	2.5
533.11285	0.8
557.10657	0.4
575.11853	9.0
576.12054	0.5
577.13544	10.1
587.12366	1.3
695.13660	5.4
713.15149	7.8
739.16718	5.3
742.37366	0.4
847.18188	1.4
865.19983	100.0
866.20081	4.6
867.20789	1.5
1153.25610	2.3
1154.26477	1.9
1155.28040	0.8
1443.33691	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	145.0293
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.25801	0.5
81.03464	0.5
83.05047	0.7
83.54585	0.5
88.31516	0.5
99.04513	3.3
99.08170	8.4
101.06085	3.4
113.02409	0.6
117.03459	100.0
117.84833	0.7
144.29388	0.6
145.02954	85.0
145.04991	3.9
145.08678	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	145.0294
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.53502	0.5
61.94662	0.5
81.03445	0.7
85.75980	0.5
87.96046	0.6
89.36001	0.5
99.04517	1.1
99.08156	4.5
103.78366	0.5
106.45906	0.6
115.70432	0.5
117.03460	100.0
145.02951	82.8
145.04836	1.6
145.08672	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	145.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45805	0.7
57.03433	0.7
58.11715	0.8
66.98138	0.9
71.01379	0.9
71.05039	1.1
71.61509	0.8
74.22937	0.8
81.03457	1.6
83.05029	4.9
87.00842	1.3
99.04543	3.1
99.08157	3.8
101.06089	9.1
117.03463	100.0
127.05152	1.7
145.02966	94.8
145.05031	6.9
145.08699	2.3
154.96172	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	145.0619
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
52.31706	0.6
54.26446	0.6
55.01866	0.7
58.02978	6.5
63.81175	0.8
67.03024	1.8
70.02939	0.9
71.01357	1.0
71.05008	1.0
72.00910	5.2
72.11712	0.8
72.99303	3.0
74.02474	13.5
81.03452	8.4
82.02989	4.3
83.01360	1.2
84.04060	1.0
84.04552	28.3
86.02467	4.0
88.72669	0.8
89.44476	0.8
94.43920	0.8
97.04078	1.6
98.02453	3.5
99.04517	11.3
99.05641	5.6
101.07200	15.4
102.23109	0.8
107.02477	1.8
107.39517	0.7
109.04073	42.9
114.51334	0.8
122.29281	0.8
125.03571	12.1
127.05134	100.0
128.03532	43.5
129.98317	0.7
142.03847	1.1
144.87003	5.2
145.05075	8.7
145.06177	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.96173	0.2
55.26592	0.2
64.05155	0.2
65.49096	0.2
69.03445	0.4
71.01379	0.4
81.03460	1.0
83.05005	0.8
97.06583	3.2
99.04515	1.1
99.08157	100.0
101.06081	1.3
101.09721	2.5
107.05179	0.2
109.06579	0.3
113.02455	1.5
117.02628	0.3
117.03456	6.3
125.95713	0.2
127.07647	1.5
143.07132	1.9
145.02982	5.2
145.05029	1.9
145.08708	59.4
153.65878	0.3
158.38966	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86953	0.1
69.03452	0.9
71.01382	0.4
73.02955	0.3
81.03457	0.5
83.05012	0.9
83.41714	0.2
96.81711	0.2
97.06593	2.5
99.04518	1.0
99.08160	40.3
101.06055	1.6
101.09708	1.3
109.06548	0.3
113.02436	3.4
117.03468	7.7
125.06104	0.5
127.07659	3.9
143.07147	5.5
145.02962	6.8
145.05035	1.3
145.08710	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	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
64.11733	0.3
74.02488	1.4
75.36211	0.2
79.12038	0.3
84.04538	1.2
85.02918	0.5
87.29967	0.3
94.40463	0.3
100.04074	0.3
102.05610	100.0
123.36147	0.3
128.03539	43.9
129.03893	0.3
146.04594	24.6
153.81984	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	147.0452
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
50.20146	3.5
56.67249	3.4
57.03437	4.5
58.51509	3.9
58.73344	3.7
59.01406	5.3
62.06890	3.5
71.01375	5.9
85.02933	20.4
87.00877	9.8
99.00903	5.4
101.02441	5.3
103.05531	28.3
108.20921	4.2
113.25287	4.3
119.05055	4.7
131.17102	5.1
147.04541	100.0
147.06598	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01880	2.5
57.03450	6.7
57.44386	1.3
59.01385	26.8
61.98837	100.0
65.01447	3.1
68.76903	1.4
71.01380	15.2
72.99318	2.4
75.00867	16.3
75.30750	1.9
77.47695	1.4
82.04117	2.5
84.99320	5.9
85.02944	18.8
87.00878	3.1
89.02439	2.9
95.06102	1.4
96.53445	1.6
99.00901	15.8
101.02433	6.6
103.04013	3.1
103.05528	10.8
105.04578	10.9
106.04099	2.4
111.00887	1.8
119.05021	5.7
120.02044	1.9
120.05669	3.7
121.01517	1.6
129.01938	7.5
135.40120	1.7
147.01974	3.2
147.03046	10.4
147.04527	98.9
147.05437	4.1
147.06622	29.0
149.21310	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
56.79184	0.3
57.03459	0.4
59.01381	1.2
67.36921	0.3
71.01373	0.5
75.00857	0.3
77.05146	0.3
85.02950	1.6
86.70734	0.3
87.64437	0.3
99.00856	0.7
101.02428	0.4
103.04011	0.3
119.05013	3.8
147.04523	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	147.0452
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
56.45882	1.2
57.03460	1.7
59.01381	9.5
71.01382	6.8
75.00882	3.3
85.02940	10.8
85.13337	1.5
99.00854	8.9
101.02440	2.6
101.06092	2.0
103.04032	2.5
103.05543	19.3
119.05009	3.0
129.01895	2.6
131.36589	1.4
140.38258	1.4
143.24913	1.4
147.04529	100.0
147.06471	10.3
147.08087	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.31059	0.5
57.03453	19.5
59.01374	2.6
59.21082	0.5
65.70447	0.5
65.97346	0.5
67.55846	0.5
71.01378	1.3
73.02952	7.0
73.61047	0.6
74.83611	0.6
75.00861	0.6
85.02950	100.0
87.00875	2.7
101.02441	42.3
101.06084	11.0
103.04012	44.6
109.26269	0.6
114.85841	0.6
129.01912	3.8
140.35902	0.7
147.02977	2.4
147.06636	93.6
164.27864	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03455	15.4
59.01377	0.9
71.01376	0.9
73.02940	8.3
81.42982	0.5
85.02950	94.8
101.02444	39.9
101.06084	8.4
103.03296	0.8
103.04013	38.7
147.06635	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	148.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10941	0.1
54.69229	0.1
55.65996	0.1
80.21236	0.1
86.03301	0.1
92.02689	0.4
93.03402	0.1
104.05032	0.2
108.02197	0.2
120.02170	0.1
120.06654	0.1
120.88573	0.1
121.02953	100.0
121.17004	0.1
130.02977	0.2
148.04027	0.7
148.07819	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
57.99319	0.4
63.65633	0.4
63.68042	0.4
66.54577	0.4
67.66576	0.5
69.07188	0.4
70.02982	7.1
72.04548	0.7
86.02481	0.7
86.03284	0.7
91.05534	2.7
100.71231	0.5
102.03474	3.9
104.04400	0.8
104.05054	6.8
105.07112	0.9
106.06607	0.8
116.65703	0.4
118.02981	1.5
119.05020	1.8
120.04569	3.9
120.06655	7.3
121.02925	0.7
123.04535	0.5
130.05119	0.6
130.06641	2.6
132.04552	10.3
148.04085	10.8
148.07693	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	148.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76492	0.4
69.72363	0.5
70.02973	4.5
73.02995	0.4
75.15734	0.5
75.91991	0.5
83.46004	0.6
86.03294	0.9
90.25002	0.5
91.05538	2.4
91.66058	0.5
92.19440	1.0
94.95666	0.5
96.04796	0.6
102.03485	4.7
104.05052	7.3
105.07130	1.1
106.06645	1.2
118.02989	1.1
119.05029	0.8
120.04536	2.9
120.06671	3.2
130.06606	2.3
132.04565	12.6
148.02232	0.7
148.04018	7.1
148.07693	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	149.0244
Annotation	Piperonal
Peak:m/z	Relative Intensity
57.23988	0.4
59.01377	0.8
63.00813	0.4
65.00324	3.8
67.01888	0.5
70.88470	0.4
75.00883	1.9
76.44074	0.4
77.03986	0.9
84.52515	0.4
89.02425	0.8
93.03454	14.9
95.04996	1.1
98.16422	0.5
100.67145	0.4
105.03471	2.7
110.22855	0.4
120.77983	0.4
121.02950	100.0
130.04253	0.8
131.05038	2.8
134.03741	61.6
149.02437	26.5
149.04321	0.8
149.06081	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	149.0454
Annotation	beta-D-Ribopyranose
Peak:m/z	Relative Intensity
50.40240	0.2
55.01874	0.4
59.01383	18.9
60.61658	0.3
67.47314	0.3
69.03451	3.3
70.62331	0.3
71.01379	17.1
71.63351	0.3
72.98927	0.6
72.99312	11.6
73.02949	16.8
73.17950	0.3
75.00872	98.3
80.05237	0.4
85.02941	1.5
87.00874	8.4
89.02441	83.2
96.49894	0.4
101.02439	1.5
103.04014	8.6
119.90368	0.4
125.03636	0.3
128.05898	0.3
131.03502	20.8
131.04488	0.8
149.04550	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	149.0454
Annotation	D-Arabinose
Peak:m/z	Relative Intensity
58.00606	0.3
59.01386	18.7
63.03735	0.4
69.03446	2.6
71.01381	11.7
72.99300	10.1
73.02949	14.6
75.00871	100.0
85.02946	1.8
85.20036	0.4
87.00871	6.6
89.02442	50.7
92.04061	0.4
92.20113	0.6
101.02454	1.4
103.04025	7.0
124.27243	0.4
128.94295	0.5
131.02652	0.4
131.03499	17.2
149.04550	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	D-Arabinose
Peak:m/z	Relative Intensity
51.88607	0.3
55.01904	0.4
56.87694	0.4
58.87019	0.3
59.01385	17.9
69.03456	2.0
71.01381	11.2
72.99310	11.2
73.02945	14.7
75.00873	100.0
75.54365	0.4
78.04210	0.3
79.98860	0.4
85.02961	0.9
87.00872	6.2
89.02448	51.4
100.35595	0.4
101.02460	0.5
103.04012	6.7
105.58843	0.4
127.08756	0.5
131.03496	15.0
131.04472	0.7
149.04553	81.0
156.13417	0.4
156.22519	0.4
168.46770	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	150.0322
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
61.28238	0.8
74.90591	0.9
75.00887	1.1
89.02464	1.0
90.02784	0.9
93.03468	4.2
101.53385	0.7
104.18899	0.9
121.02948	100.0
122.03741	4.3
125.12144	0.8
149.02452	1.6
150.03220	58.8
150.05699	1.6
153.46124	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	151.0612
Annotation	L-Arabitol
Peak:m/z	Relative Intensity
52.27319	0.5
55.01881	2.4
57.03444	1.2
58.00581	1.0
59.01389	60.8
71.01386	100.0
72.99299	1.3
73.02953	12.7
83.01395	9.1
83.69884	0.5
85.02954	12.3
87.00868	2.5
89.02447	75.4
101.02448	84.2
103.04053	1.0
113.02471	5.8
119.03497	6.5
123.04513	2.6
131.03487	4.5
133.05089	3.7
136.01646	2.3
138.78291	0.5
149.04556	0.9
151.04037	2.6
151.06129	35.5
159.64529	0.6
164.91742	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	151.0765
Annotation	3-propylbenzene-1,2-diol
Peak:m/z	Relative Intensity
53.53439	0.4
61.01634	0.4
65.91355	0.4
71.01366	0.5
77.67329	0.4
89.02437	0.4
93.03460	2.2
95.88275	0.4
101.02436	0.5
105.03456	0.5
107.05013	1.1
108.02164	0.8
109.02927	0.5
109.06643	0.6
114.51346	0.5
122.03711	5.5
123.04522	24.7
123.05412	0.8
125.06066	7.2
135.04495	2.6
136.01660	25.4
136.05284	16.7
150.06870	2.0
150.59210	0.4
151.04013	33.6
151.07642	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	152.0116
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
60.17609	1.1
62.69398	1.2
70.28459	1.0
79.93311	0.9
80.02679	9.2
85.53040	1.0
93.15556	1.0
93.73991	1.0
108.02179	100.0
108.04581	1.3
123.00803	1.1
124.04850	6.1
137.02031	5.8
152.01155	63.8
152.03328	2.1
152.04512	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
57.75866	0.2
78.03486	1.2
82.01829	0.2
85.78325	0.2
104.64202	0.2
106.03007	0.4
107.03765	4.6
122.03734	21.6
124.04897	0.4
135.03271	0.3
143.59093	0.2
152.03529	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.53141	0.3
57.52902	0.2
100.38166	0.3
103.55921	0.3
111.46590	0.3
121.02921	0.3
122.03735	25.4
135.94142	0.3
140.60599	0.3
152.03529	100.0
164.34000	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	152.0479
Annotation	N-Dimethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
51.51649	1.4
63.77297	1.3
87.87440	1.2
93.03448	3.5
108.02163	3.1
119.93958	1.3
121.02961	100.0
122.03740	82.3
124.03981	1.9
124.04836	15.9
127.30882	1.3
136.01662	9.3
137.02045	2.2
152.01183	2.8
152.04810	64.9
156.84877	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	152.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25763	0.2
54.81763	0.3
57.01302	0.3
80.05093	0.4
88.31511	0.3
94.06632	1.9
95.03761	2.2
96.08188	3.1
97.01649	0.7
109.05320	2.9
123.03290	0.6
124.07672	35.0
128.66144	0.4
137.02036	0.7
137.04820	18.6
152.07172	100.0
160.96271	0.3
169.03806	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	153.0194
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
52.80132	0.1
53.00312	0.2
65.00350	0.2
65.03972	0.2
67.01896	0.4
68.99821	0.3
69.03470	0.2
79.01881	0.3
81.03466	1.6
83.01392	1.4
97.02947	1.2
97.04691	0.2
107.01395	0.8
108.02229	0.2
109.02953	4.7
110.00085	0.7
111.00860	0.2
121.00259	0.2
124.01645	0.8
124.98526	0.2
125.02432	2.7
137.99591	0.9
151.00366	2.9
152.01161	1.3
153.01938	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	153.0194
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03983	0.2
81.03463	0.7
84.43790	0.1
91.01909	0.3
108.02184	2.9
109.02953	100.0
137.99655	0.2
153.01938	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	153.0322
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
52.76560	0.2
54.35949	0.3
58.96564	0.2
69.03467	0.2
78.95909	100.0
79.61833	0.2
81.03453	0.3
83.01399	1.4
96.96970	0.3
97.02971	0.2
108.02189	0.4
109.02953	12.9
110.00096	1.6
111.90359	0.2
118.42677	0.2
123.04523	0.8
125.00096	67.9
125.02424	1.5
130.66882	0.2
137.99585	2.6
151.00412	1.6
153.01950	6.6
153.03239	12.8
161.97873	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	153.0557
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
52.00188	0.1
65.00320	0.1
71.80802	0.1
81.03459	1.2
82.00613	0.3
83.01402	0.2
87.89310	0.1
92.04958	0.1
93.03441	0.2
95.01419	0.2
95.05027	0.8
105.03493	0.2
108.02171	2.3
109.02945	39.8
109.06584	0.2
110.00087	2.7
122.03760	1.0
123.04515	100.0
123.18993	0.2
125.02427	1.4
137.99593	3.4
150.30901	0.1
153.01941	12.6
153.05566	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	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
60.61580	0.6
65.03980	0.6
67.01892	11.7
68.99831	0.6
69.03452	5.9
73.73826	0.6
78.95900	3.2
79.05538	3.5
81.03458	61.5
82.00603	1.3
83.04980	0.8
91.05509	5.6
95.01380	1.3
95.05024	19.9
96.22990	0.6
97.02946	19.9
97.06609	0.6
106.70163	0.6
107.05025	2.6
108.02175	3.3
108.24247	0.6
109.02949	87.3
109.06599	7.8
110.00092	6.5
111.04537	4.5
120.11290	0.6
122.03690	0.8
123.04520	100.0
125.00060	0.7
125.02445	4.2
135.04512	0.7
137.09782	0.7
137.99609	11.4
151.00397	1.3
153.01949	28.0
153.05573	89.1
164.95937	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	153.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15111	1.3
71.01395	1.4
81.03442	2.3
82.00587	1.4
97.02938	5.5
108.02162	3.2
108.05845	1.4
109.02946	100.0
109.06583	7.0
110.00121	14.1
113.06081	2.2
122.03734	44.8
123.04520	82.5
123.08132	5.5
125.02411	6.2
125.06080	5.4
135.00888	1.9
136.05286	5.0
137.06067	24.5
137.99591	25.5
138.05905	2.2
138.06873	44.7
139.07640	7.3
143.39731	1.4
146.71495	1.2
149.31711	1.3
151.00391	1.8
151.07648	34.1
152.08435	18.2
153.01939	51.4
153.05569	17.5
153.09258	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	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
50.24889	1.1
50.91455	0.9
53.62099	0.9
56.64382	0.9
58.74864	1.1
71.05009	1.6
78.17677	1.3
82.35391	1.1
83.01360	1.7
86.07697	1.1
97.06586	23.8
99.08157	9.5
106.62469	1.2
109.02955	40.2
110.00097	5.3
125.02437	2.4
125.09688	1.9
134.06573	1.3
137.09648	1.4
137.99547	4.6
151.00421	1.5
151.11302	1.4
153.01952	17.9
153.12856	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	154.0147
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
56.74471	0.2
59.73141	0.2
64.77264	0.2
65.99839	0.8
66.03500	0.5
67.51009	0.2
73.16444	0.1
75.55531	0.2
84.31500	0.2
95.01348	0.3
109.02968	0.8
110.02538	0.4
110.03265	3.4
123.00874	4.5
124.01659	21.0
154.01459	100.0
170.44218	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	154.0145
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
52.01927	0.3
56.96055	0.2
63.58081	0.2
65.94892	0.3
65.99879	0.9
76.32351	0.3
82.02996	0.4
98.03111	0.3
107.01394	0.5
108.02142	0.3
109.01701	0.5
109.03009	0.3
110.03304	1.4
123.00850	0.4
124.01657	3.3
124.04874	1.3
137.01189	63.1
154.01460	100.0
159.53667	0.3
162.36476	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	155.1078
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.27058	1.2
62.42326	1.3
64.67049	1.3
64.67401	1.2
70.41560	1.2
74.95885	1.2
81.29198	1.2
130.52805	1.6
137.09723	1.7
155.10782	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
53.75319	1.6
66.42960	1.1
80.68447	1.3
83.01373	1.6
83.05042	2.7
92.20011	1.7
93.03455	14.6
98.24010	1.2
111.04534	2.5
137.02341	1.4
140.01129	12.9
145.69014	1.4
154.21355	1.2
155.10786	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	157.0367
Annotation	Allantoin
Peak:m/z	Relative Intensity
58.64120	0.5
59.01385	67.6
59.02501	3.5
59.54878	0.6
68.99827	1.1
69.03454	0.9
71.02505	9.3
72.00901	0.7
72.99308	2.6
77.00675	5.0
79.95720	1.0
80.96519	7.8
83.01392	0.6
85.02957	1.2
86.00110	4.7
92.20094	1.0
93.00102	1.6
93.89159	0.6
95.01334	0.6
97.00433	100.0
113.02437	0.8
114.03088	78.2
117.84126	0.5
124.98808	11.3
127.00372	3.5
134.67783	0.6
140.01050	4.8
141.99077	50.3
152.51343	0.5
155.77769	0.5
156.96346	5.5
157.01457	11.3
157.03619	5.8
157.08720	1.0
163.51254	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	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
58.02977	1.3
78.10481	0.3
114.09246	7.4
116.07172	100.0
158.08232	14.5
158.11880	0.7
169.29205	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	159.0663
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
55.56355	0.1
55.74587	0.1
56.05301	0.1
57.03450	1.1
59.01391	0.2
71.01374	0.3
73.02954	1.6
73.25764	0.2
73.65174	0.1
75.29515	0.2
85.02953	1.1
87.00895	0.3
87.34638	0.2
87.53790	0.2
97.02925	0.3
97.06582	4.0
99.00883	0.8
101.02444	0.4
111.00886	0.8
112.01648	0.3
113.06033	0.2
115.07645	100.0
116.92844	0.4
117.03426	0.3
129.01959	1.0
141.01921	0.2
141.05583	6.9
148.82755	0.2
159.03140	1.2
159.06627	32.0
159.10281	0.9
165.41994	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	161.0455
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
53.69049	0.5
54.50526	0.5
55.01894	0.5
57.03457	83.3
59.01390	23.7
69.03434	0.8
69.87424	0.6
71.01388	4.4
73.02953	7.5
80.77864	0.7
81.03461	0.8
83.01395	1.6
85.02943	10.1
87.00880	2.7
87.76346	0.7
92.19479	1.0
97.02952	1.3
99.00891	1.6
99.04523	100.0
101.01790	1.5
101.02449	37.6
117.05503	0.8
125.02450	1.5
131.62134	0.7
143.03502	1.2
161.04565	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01883	1.0
57.03442	1.0
58.23115	0.5
59.01380	10.6
69.03454	2.3
71.01379	13.6
71.05021	28.4
73.02942	10.5
83.01383	3.8
85.02940	11.1
87.00862	4.6
87.04505	12.8
89.02449	0.8
91.28484	0.5
97.02922	2.7
99.00886	2.1
99.04516	94.8
101.02433	6.1
113.02457	1.2
115.04006	35.5
115.07655	8.0
117.05569	57.9
125.02435	3.5
131.03416	0.7
133.02962	5.7
141.01884	0.6
161.02579	4.2
161.04556	29.5
161.08186	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	162.0323
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
51.51242	1.0
59.01388	1.8
71.02802	1.0
82.64716	1.3
82.73069	1.1
100.97377	1.3
106.04252	6.7
107.29395	1.4
119.01410	1.3
120.02155	2.9
121.03015	1.3
133.02948	2.8
134.03746	29.9
161.02490	8.7
162.03230	100.0
162.04680	4.6
163.84163	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	162.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12903	0.6
52.06996	0.8
54.42936	0.6
59.01383	1.9
63.48323	0.7
72.01710	1.1
73.02943	1.3
74.03275	1.1
85.02973	1.0
86.03313	1.3
93.03434	1.6
118.02940	0.8
118.03799	1.3
119.93209	0.7
120.06642	1.1
121.02962	30.0
147.00867	0.8
147.04553	8.7
148.54472	0.9
161.06081	33.7
161.89438	1.5
162.01955	5.0
162.03178	1.5
162.04918	6.6
162.06865	100.0
173.57393	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	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
73.36780	0.2
91.05556	0.3
92.20016	0.4
93.03458	1.0
107.04961	0.2
119.05022	100.0
135.04510	2.7
148.01642	1.6
151.69669	0.2
163.00406	0.4
163.04012	11.4
163.06161	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	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
89.96637	0.1
91.05532	0.2
93.03445	0.6
112.99470	0.1
119.05022	100.0
128.69162	0.1
135.00883	0.7
135.04533	0.2
157.09491	0.2
163.00365	2.7
163.04012	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.1
62.31008	0.1
70.66003	0.1
90.66521	0.1
92.20127	0.5
93.03468	0.7
94.80984	0.1
119.05021	100.0
119.47995	0.1
151.39111	0.1
163.04001	8.7
163.06143	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66710	0.2
55.40090	0.2
62.34207	0.2
68.25761	0.2
74.41762	0.2
74.67433	0.2
74.90157	0.2
79.86539	0.2
90.04652	0.2
93.03461	0.5
102.79802	0.2
106.62871	0.2
119.05020	100.0
133.74358	0.2
163.04007	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44215	0.3
53.83523	0.3
64.00110	0.4
77.51530	0.4
119.05019	100.0
156.22984	0.4
163.00308	0.6
163.04005	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87049	0.2
57.78797	0.2
76.84779	0.2
81.63476	0.2
91.05578	0.3
93.03451	0.5
119.05020	100.0
143.48824	0.2
153.89426	0.2
163.02571	0.4
163.03995	6.6
180.26910	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43191	0.2
63.85664	0.2
67.93614	0.2
75.75904	0.2
78.33452	0.2
86.78699	0.2
93.03428	0.3
117.03896	0.2
119.05021	100.0
151.61696	0.2
163.04007	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	163.0612
Annotation	6-Deoxy-D-galactose
Peak:m/z	Relative Intensity
55.01883	2.7
57.03463	5.0
58.00610	1.1
59.01385	43.2
61.98833	12.8
69.03442	0.9
71.01381	17.3
72.99303	0.8
73.02948	6.2
73.09691	0.6
83.01384	1.6
84.99424	0.7
85.02948	43.0
86.22754	0.7
87.00886	3.8
87.04522	1.3
89.02454	11.0
97.02959	0.8
98.26036	0.6
101.02445	36.2
103.03994	3.1
109.02949	2.6
113.02461	5.7
115.04054	0.9
117.05552	0.6
119.03481	1.2
119.05023	3.6
127.04070	0.6
131.03532	5.5
133.05128	0.8
141.59560	0.7
145.05083	2.4
163.02565	2.4
163.06128	100.0
181.45271	0.7
182.46368	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	163.0612
Annotation	6-Deoxy-D-galactose
Peak:m/z	Relative Intensity
55.01885	1.7
57.03447	7.3
58.00594	1.1
59.01384	42.4
59.31462	0.8
61.98835	7.8
69.03458	1.2
71.01379	19.5
73.02933	7.0
75.08205	0.9
79.05466	0.8
83.01368	1.6
85.02951	42.5
87.00882	1.1
87.04609	0.9
89.02451	9.5
95.01376	0.9
97.02924	1.5
98.93369	0.8
99.02019	0.9
101.02439	35.5
103.04020	4.0
107.76414	0.9
113.02451	6.8
119.03530	0.8
119.05014	5.7
131.03479	5.6
144.41899	0.9
145.05095	1.6
163.03941	2.6
163.06122	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	164.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68621	0.8
59.87786	0.8
59.98564	0.8
68.56727	0.8
72.00903	9.6
91.05515	1.1
92.05027	1.8
95.01376	1.8
98.29716	1.0
103.05534	1.1
108.02166	13.8
111.88808	1.0
119.05011	4.0
120.02148	10.8
120.04538	7.5
120.05363	30.1
124.73836	0.9
136.01648	9.3
147.04526	31.9
163.00371	33.4
164.01155	100.0
164.07179	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	164.0354
Annotation	N-formylanthranilic acid
Peak:m/z	Relative Intensity
52.04828	0.2
57.15836	0.3
68.20959	0.3
92.05056	17.3
93.03452	1.8
94.02985	0.4
110.06113	57.3
113.59925	0.4
120.04549	25.4
120.05353	1.9
136.04028	3.9
149.60175	0.3
164.03534	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	164.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67360	1.3
55.96828	1.4
60.43433	1.5
64.91142	1.7
71.36343	1.6
72.00925	1.7
75.78379	1.7
80.60319	1.7
92.23304	1.9
93.03453	3.2
119.05060	12.1
120.05360	84.6
121.02983	14.9
133.02946	2.5
134.03735	1.8
135.04532	60.3
147.04451	6.0
149.02451	100.0
164.04807	53.6
164.07050	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	164.0718
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
53.82057	0.4
72.00912	30.5
73.22213	0.5
91.05530	4.6
92.20016	1.0
103.05537	3.9
110.21673	0.6
110.37459	0.5
146.47737	0.6
147.04527	100.0
164.03520	0.7
164.07179	45.4
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
50.34948	0.6
72.00908	29.7
91.05530	4.3
97.61815	0.8
103.05548	6.9
118.06567	1.0
120.05391	6.0
120.69759	0.8
147.04524	100.0
157.74461	0.9
164.07178	50.4
166.55530	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	165.0194
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
51.31128	0.2
54.66424	0.2
56.16869	0.2
67.36921	0.2
77.03956	1.6
84.65366	0.2
86.86472	0.2
92.99026	0.2
93.03456	5.1
97.02934	0.3
109.02957	0.4
121.02954	100.0
123.04485	1.0
126.56027	0.2
137.02463	4.0
139.04022	5.3
143.24376	0.2
150.03123	1.1
163.58142	0.2
164.89951	0.3
165.01929	25.7
165.05560	1.9
165.09181	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	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01881	3.5
55.63667	0.4
57.03458	0.4
59.01389	6.3
65.48831	0.3
68.60929	0.3
69.74963	0.3
71.01382	3.4
72.99320	3.5
73.02936	0.5
73.16019	0.4
74.34324	0.4
75.00874	100.0
80.74416	0.3
85.02956	0.9
87.00876	22.1
87.18401	0.4
89.02440	2.7
99.00875	6.1
101.02443	2.1
104.70271	0.3
105.01254	0.8
105.01934	17.7
117.01936	2.9
126.50072	0.4
129.01944	14.8
137.02383	0.4
147.02988	6.2
150.64960	0.4
165.04045	57.4
182.87671	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	165.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30171	0.3
54.10785	0.3
55.68414	0.3
58.00610	5.7
59.01381	3.7
62.04520	0.4
66.02601	0.4
71.01373	1.6
72.99313	0.7
73.02954	0.8
75.00871	19.5
77.03938	0.6
78.65961	0.3
79.95734	0.4
85.02975	0.5
87.00872	16.6
89.02445	1.0
89.33174	0.4
92.18902	0.4
93.03458	10.9
99.00893	4.2
105.01942	13.6
107.05023	4.1
109.02968	0.9
114.29050	0.4
115.19597	0.4
117.01936	0.6
119.05020	5.9
121.02954	47.2
122.03738	5.9
129.01913	2.5
133.02974	0.5
134.03703	0.4
135.04529	4.4
136.01639	0.5
137.02466	5.2
137.06062	0.8
147.02986	2.5
147.04568	0.8
148.04890	0.4
149.02409	0.5
150.03226	100.0
163.04059	0.6
165.01981	6.2
165.04045	21.5
165.05566	10.8
165.07565	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	165.0557
Annotation	3-Ethoxybenzoate
Peak:m/z	Relative Intensity
52.32605	0.3
59.01371	0.5
59.30124	0.4
61.23077	0.3
65.00294	0.4
65.03975	0.5
67.01891	4.7
67.09264	0.4
70.88465	0.5
77.03975	2.3
81.03454	3.9
93.03455	20.8
95.01381	0.6
95.05026	0.5
97.02960	0.5
106.04217	0.5
107.05047	0.7
108.02158	0.8
108.86370	0.5
109.02940	10.9
119.05008	1.7
121.02954	58.6
121.06554	1.7
122.03735	23.3
123.04517	4.0
124.01632	1.7
135.04521	2.6
136.01678	3.4
137.02452	45.8
137.06044	0.6
139.03964	0.6
147.04485	2.3
149.02438	3.4
150.03224	100.0
163.94714	0.4
164.01151	2.8
164.83614	5.1
164.89587	3.2
165.01932	64.4
165.05534	12.4
165.06662	0.7
165.09198	2.6
166.99846	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	165.0557
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
50.86002	0.4
53.91815	0.4
59.01381	0.5
62.00819	0.4
71.01352	0.5
77.03991	1.6
81.03446	0.6
93.03455	14.5
95.05010	1.0
108.02180	0.5
109.02943	2.2
111.06472	1.8
119.05024	4.9
121.02957	49.4
121.06602	2.9
122.03737	20.2
123.04520	100.0
126.45207	0.6
135.04536	0.7
137.02441	15.3
137.06032	0.8
147.04517	1.1
150.03236	12.1
164.89732	1.0
165.01930	50.0
165.04041	3.1
165.05563	66.4
165.09215	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	165.092
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
68.26363	1.5
71.24570	2.0
81.07100	4.1
84.13247	1.6
85.37093	1.6
94.90842	1.6
121.02948	26.1
135.04552	2.5
137.02414	8.0
147.04585	2.4
150.03227	4.1
165.01953	11.3
165.05583	3.6
165.07806	3.4
165.09209	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	166.0271
Annotation	Demethylphosphinothricin
Peak:m/z	Relative Intensity
51.44010	0.5
51.48702	0.4
65.84084	0.6
72.59348	0.5
74.07484	0.5
109.02969	0.8
122.03307	2.3
137.02469	3.5
138.03308	11.8
165.01944	6.5
166.02718	100.0
176.36513	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	166.0271
Annotation	Demethylphosphinothricin
Peak:m/z	Relative Intensity
52.76570	0.5
55.46645	0.4
56.69873	0.4
59.61435	0.4
75.02141	0.5
78.86344	0.5
92.19978	0.7
109.02911	0.5
122.03310	2.1
123.00924	0.5
137.02461	4.3
138.03273	11.9
165.01920	6.7
166.02711	100.0
172.42891	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	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.25806	0.3
56.07806	0.3
56.44194	0.3
62.42044	0.3
79.81475	0.3
84.84669	0.3
92.05032	0.4
121.05317	2.1
122.03310	0.6
134.68866	0.4
136.04256	0.5
136.05298	15.0
138.14998	0.3
166.05093	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	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
82.13799	0.2
86.23782	0.2
105.55209	0.2
121.02950	3.5
122.03290	0.3
136.04305	0.4
136.05299	7.4
148.04871	0.3
151.02740	19.1
166.05086	100.0
183.01689	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	167.021
Annotation	Uric acid
Peak:m/z	Relative Intensity
69.00941	4.2
75.19067	0.3
75.73071	0.3
96.02039	10.0
97.00430	1.6
123.00863	0.4
123.03114	0.6
123.04542	0.6
124.01524	69.4
142.02550	1.8
152.01109	1.4
158.67741	0.3
167.02106	100.0
172.97653	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
60.54957	0.5
66.26618	0.5
72.60037	0.4
79.01880	0.4
81.03468	2.6
91.01919	0.6
95.01382	1.0
95.05032	1.0
97.02956	0.9
99.04503	0.8
108.02179	42.0
109.06570	0.6
111.00931	0.5
111.08188	2.5
112.01624	0.5
115.27364	0.4
121.02968	2.4
122.03741	1.7
123.00897	2.3
123.04522	24.0
123.08151	0.7
124.01667	2.5
139.04022	2.8
139.07651	5.3
149.06087	3.3
152.01157	100.0
162.99422	0.5
166.99382	0.6
167.03499	29.8
167.07117	14.8
167.68474	0.5
186.37639	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	167.0349
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
51.60602	1.2
57.57728	1.4
93.03500	1.5
95.67706	1.7
101.88922	1.8
111.00881	2.4
121.02944	15.7
123.04525	28.0
124.01533	2.3
167.02245	3.6
167.03473	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	167.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01126	0.5
55.88508	0.6
65.00301	0.6
73.18593	0.7
81.03440	3.2
82.74648	0.7
91.01833	0.7
95.05001	0.8
96.02113	0.8
97.02937	1.6
99.04521	1.4
108.02125	1.1
110.52274	0.8
121.02970	1.2
122.03728	1.4
123.04491	4.1
124.01655	57.5
138.03264	1.1
139.04016	47.6
151.99890	1.3
152.01154	57.7
165.01918	19.6
167.03491	100.0
167.07140	10.8
171.95253	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	167.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76447	0.3
52.93338	0.4
55.06710	0.3
60.27400	0.3
65.00320	0.5
66.26447	0.3
75.18768	0.3
76.89558	0.4
81.03460	0.7
91.01900	6.2
95.05027	0.4
95.93178	0.3
99.04500	0.7
108.02174	41.6
122.03741	6.8
123.04517	27.8
124.01662	3.3
137.02406	0.4
137.06090	0.6
138.03242	0.4
139.04041	3.4
152.01149	100.0
156.12100	0.4
167.03496	31.9
167.07132	29.3
184.76015	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	167.0351
Annotation	480-66-0
Peak:m/z	Relative Intensity
54.41939	0.6
54.77040	0.7
56.52109	0.7
60.28247	0.7
61.30722	0.6
71.05033	1.1
81.03461	4.5
93.03489	1.7
95.01406	3.4
95.05018	3.8
99.04510	1.2
108.02177	12.9
109.02932	0.9
111.00903	1.8
118.05849	0.7
121.02926	1.0
122.03706	3.0
123.00864	3.6
123.04517	35.1
123.08204	0.9
124.01669	12.5
125.02425	1.5
137.02437	5.9
138.03206	3.4
139.00433	1.3
139.04007	12.5
149.02499	0.9
151.99902	1.1
152.01146	41.0
167.03500	100.0
167.07158	13.9
167.10832	4.9
167.63962	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	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
83.01381	0.5
87.22062	0.3
95.01394	0.6
108.02174	30.7
111.00877	4.4
123.00920	0.6
124.01646	4.1
135.00919	0.5
139.00349	0.6
152.01155	28.1
159.19138	0.4
161.64101	0.3
167.03496	100.0
184.45047	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	167.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45210	0.3
81.03444	0.6
83.55458	0.3
93.03456	0.4
95.05027	0.5
97.02978	0.4
99.04518	0.6
102.82085	0.3
108.02181	2.9
109.06579	0.5
109.18923	0.3
111.04516	1.3
119.38808	0.3
121.02937	0.5
122.03734	26.8
123.00867	0.7
123.04497	3.0
124.01658	1.9
125.02464	0.3
137.02443	1.3
137.06082	1.9
138.03259	1.2
139.04002	3.4
139.07588	0.4
149.71417	0.3
152.01143	5.4
154.02715	1.5
165.05544	0.4
167.03494	10.2
167.07130	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	167.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84348	0.3
59.81730	0.3
85.42666	0.3
108.58867	0.4
111.04505	0.9
122.03732	23.8
124.01633	0.4
137.02467	0.4
137.06085	2.4
154.02640	0.5
167.07135	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	167.0713
Annotation	4-Ipomeanol
Peak:m/z	Relative Intensity
63.85672	0.3
64.73126	0.3
66.18490	0.3
66.42936	0.3
67.40609	0.3
73.20844	0.3
81.11729	0.4
101.94997	0.4
108.02164	1.5
109.02923	0.4
111.04501	0.7
122.03737	28.6
123.04512	1.8
124.01661	1.7
137.02446	0.4
137.06093	2.4
139.04022	1.6
149.05983	0.4
152.01141	1.7
167.03516	4.3
167.07137	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	167.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.2
58.72150	0.2
59.01397	0.2
59.27336	0.2
62.62113	0.2
64.69078	0.2
65.00298	0.2
67.01888	4.2
69.03453	1.2
71.05049	0.3
79.01881	0.2
79.05536	3.1
80.02681	1.1
81.03456	11.5
82.41757	0.2
83.01390	0.8
83.05027	2.0
91.01880	3.1
93.03461	2.0
93.84770	0.2
95.01382	2.8
95.05019	28.3
97.02948	6.4
97.03522	0.4
97.06577	2.2
99.04518	2.8
105.03477	0.9
107.05038	0.7
108.02174	4.1
109.02955	2.2
111.04582	0.2
111.08225	0.2
111.40565	0.2
121.02965	1.9
122.03711	2.2
123.00935	2.2
123.04517	100.0
124.01656	2.1
125.02437	0.3
125.06077	2.8
131.84818	0.2
137.02444	0.9
137.06082	0.2
138.03239	0.8
139.04027	6.0
139.07649	0.7
149.02431	2.2
149.06068	0.4
152.01157	4.0
160.55081	0.2
167.03497	24.5
167.07132	6.8
172.43042	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	167.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71574	0.3
77.90318	0.2
78.95901	1.1
81.03451	1.2
93.03461	0.5
95.01331	0.3
95.05021	1.1
97.02950	0.4
99.04511	1.1
102.97513	0.3
103.64535	0.3
108.02168	3.7
114.61783	0.3
121.02956	4.9
122.03738	19.3
122.18494	0.3
123.00879	1.6
123.04523	3.5
124.01685	3.0
125.02451	0.3
136.01662	2.1
137.02443	1.2
138.03210	1.0
139.04048	3.6
152.01204	7.3
152.04790	100.0
167.03482	10.2
167.07144	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	167.0713
Annotation	4-Ipomeanol
Peak:m/z	Relative Intensity
52.72092	0.3
54.88407	0.4
62.34613	0.4
62.81562	0.4
65.18030	0.4
80.02680	0.6
80.66982	0.4
81.03487	0.6
93.03426	0.6
108.02146	3.3
111.04493	1.1
121.02981	0.8
122.03736	22.4
123.04547	3.5
124.01658	0.8
128.00645	0.4
137.02423	0.8
137.06082	1.0
138.03203	1.9
139.04027	4.5
152.01158	9.0
154.02805	0.5
167.03497	13.3
167.07130	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	167.1077
Annotation	(+-)-1,8-Epoxy-p-menthan-3-one
Peak:m/z	Relative Intensity
55.01873	0.4
73.02946	100.0
80.13149	0.4
81.03453	0.4
81.07111	2.6
81.89937	0.4
87.59084	0.4
89.10489	0.4
95.05002	0.6
108.02152	3.7
122.03730	0.7
123.00916	0.7
123.04529	7.9
134.58646	0.4
139.04025	2.0
149.09715	2.7
152.01137	7.4
167.02202	0.9
167.03479	12.2
167.07137	8.5
167.10768	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
50.42270	1.0
52.83189	0.9
55.59817	1.0
56.96336	1.1
59.98516	2.4
83.60477	1.2
92.19419	2.2
98.03717	12.2
99.04512	7.9
99.48537	1.3
101.81510	1.1
123.04505	6.6
135.96593	1.2
150.51033	1.4
152.01173	6.6
162.44749	1.2
167.03513	7.9
167.07109	2.5
167.10767	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	168.0302
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
65.99847	0.3
101.87891	0.2
109.02924	0.4
116.54808	0.2
121.02964	0.7
123.73656	0.2
124.01706	0.4
131.17787	0.2
135.76065	0.2
137.02444	4.0
138.03223	17.9
150.29407	0.2
154.09784	0.2
168.03015	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	168.0302
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
83.35538	0.3
84.93881	0.3
85.48096	0.3
108.02178	13.6
122.02489	2.9
132.17160	0.4
138.01974	58.7
159.39935	0.4
166.01454	69.3
168.03024	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	168.0303
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
56.31661	0.3
63.77451	0.3
65.99849	2.1
74.38980	0.3
79.51608	0.3
85.22319	0.3
109.02928	0.4
123.03269	0.4
137.02448	18.8
138.03229	100.0
168.03018	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48745	0.3
62.09375	0.3
79.95286	0.5
79.95729	5.6
91.46552	0.3
95.95243	1.5
96.96008	100.0
116.48425	0.4
125.10853	0.4
168.03360	83.2
179.34767	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	168.0666
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
64.59849	0.2
79.27851	0.2
79.95766	0.3
80.35417	0.3
92.05065	0.4
96.96006	17.0
96.96619	0.6
107.03780	3.4
108.04557	11.3
110.05466	0.3
110.06145	1.6
120.04555	1.8
121.05327	8.9
122.02514	0.6
122.06117	56.1
124.01655	0.5
124.04019	0.6
124.04875	1.3
125.02444	1.5
135.03261	4.2
136.04012	1.2
138.05609	23.1
142.47696	0.3
148.04037	1.4
150.05603	100.0
166.05090	28.8
168.03329	17.8
168.06639	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	168.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04890	0.9
74.60101	1.0
98.30602	1.2
101.67159	1.1
122.94476	1.0
135.04465	1.7
150.06897	1.7
151.07614	8.0
153.05550	1.5
168.07922	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	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
50.22610	0.2
56.10192	0.2
59.58236	0.2
69.03465	2.7
79.01900	0.9
81.03457	3.6
97.02946	2.7
107.01389	0.9
116.90827	0.2
124.01675	0.3
125.02445	100.0
140.28201	0.2
141.95227	0.2
151.00298	0.2
157.04645	0.2
168.83676	0.3
169.01431	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09292	0.2
53.25855	0.2
55.83521	0.2
57.97564	8.0
58.07591	0.2
59.01385	0.3
66.81402	0.2
71.50792	0.2
71.99131	0.2
72.70091	0.2
78.95902	0.4
79.95716	0.2
81.03456	0.2
83.05032	1.9
85.02939	0.5
91.02999	0.4
92.03816	1.0
93.04568	2.1
95.01401	0.4
96.73827	0.2
96.98618	0.3
97.02939	0.4
97.06600	0.8
98.00699	1.3
99.04550	0.3
107.02531	0.4
108.03296	7.4
109.02958	0.5
111.00860	1.0
113.01795	0.3
123.00227	1.0
124.01003	72.9
127.04005	1.0
139.00401	0.3
140.00511	64.6
141.01292	100.0
144.41544	0.3
155.99994	1.1
171.02299	10.2
171.06602	0.3
171.10220	2.1
171.13792	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
51.69858	0.2
59.64848	0.2
77.23598	0.2
80.09673	0.2
81.07114	0.3
88.21297	0.2
94.03806	0.2
96.07905	0.2
109.02957	0.4
122.37191	0.2
125.08163	0.2
127.07648	100.0
171.01892	0.3
171.06636	13.6
171.10313	1.5
171.13881	0.3
185.75824	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	171.0664
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
55.61037	0.8
55.72927	0.7
59.01368	2.0
59.65840	0.8
63.34675	0.8
63.61548	1.0
63.70629	0.8
64.99603	0.8
65.87650	0.8
67.43640	0.8
77.58889	0.9
79.65412	0.8
109.06613	15.4
111.04498	1.4
127.07651	94.0
133.49323	0.9
143.07086	1.9
153.05594	6.3
162.21983	1.0
171.02029	1.2
171.06631	100.0
171.10287	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
65.01453	1.6
70.67299	1.0
74.97872	1.0
80.95327	0.9
89.01451	1.1
97.18597	0.9
99.07666	0.9
102.77702	1.0
109.02925	1.4
125.09692	2.2
127.07552	1.0
127.11315	4.4
144.05701	4.2
153.09294	1.3
171.01909	1.1
171.06915	7.6
171.10272	100.0
171.13901	67.9
178.84822	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.74611	0.3
56.23845	0.3
58.02972	0.5
65.47085	0.3
65.63038	0.3
82.05015	0.3
101.14914	0.3
125.95073	0.3
128.10791	2.6
130.08734	100.0
137.58640	0.3
172.09808	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	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.87261	0.3
57.24045	0.3
59.01384	3.2
67.01888	1.6
69.18893	0.3
71.01362	1.4
71.20953	0.3
72.99300	6.0
73.02944	7.7
81.03451	1.7
81.38184	0.3
83.05022	4.9
85.02945	100.0
85.06584	1.4
87.00865	0.5
89.64415	0.3
93.03448	19.1
99.00883	1.9
99.04501	3.8
111.00877	12.4
111.04507	14.4
123.16224	0.5
127.83323	0.4
129.01939	17.6
129.05605	3.0
137.02446	4.8
143.03462	0.5
155.03476	11.0
173.00877	1.3
173.04529	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	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40678	0.3
59.01367	0.4
59.59032	0.4
63.77972	0.3
71.01395	0.6
73.02950	8.8
73.59856	0.4
81.03439	0.5
83.05039	2.8
85.02947	100.0
85.65216	0.4
93.03452	16.5
93.04053	0.5
99.00871	1.7
99.04501	2.0
106.71783	0.4
111.00872	12.0
111.04508	7.5
129.01942	15.2
137.02455	4.6
143.03506	0.5
155.03497	0.8
173.00899	0.7
173.04550	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	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
57.03458	4.0
59.01379	1.8
60.99332	0.2
67.01897	7.6
69.03457	1.0
71.01386	1.5
72.99308	1.9
73.02950	3.7
78.22565	0.2
81.03458	0.5
83.01392	1.4
83.05030	2.3
85.02953	26.0
85.06610	0.2
92.20148	0.2
93.03455	11.9
95.01386	0.4
95.36919	0.2
99.00873	2.4
99.04523	1.8
101.02444	1.4
110.88319	0.2
111.00883	100.0
111.04501	6.0
111.08129	0.3
112.48271	0.2
113.02400	0.3
115.46763	0.2
115.76698	0.2
123.00880	1.2
129.01944	5.2
129.05588	2.0
137.02469	2.1
140.01134	0.7
141.01987	0.3
143.03539	1.0
154.99873	4.0
155.03523	1.9
173.00941	1.2
173.04565	3.2
173.08206	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	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.01870	1.1
57.03432	0.4
58.00603	0.4
59.01380	0.4
65.03986	0.9
67.01894	0.6
69.03448	0.6
71.01382	1.6
71.05002	0.5
72.99278	0.3
73.02944	19.0
81.03452	2.8
83.05025	7.7
85.02946	100.0
88.20892	0.2
93.03450	36.7
99.00887	4.7
99.04517	5.8
101.02426	0.5
111.00127	0.5
111.00880	11.1
111.04517	15.2
129.00960	0.6
129.01942	17.7
137.02440	11.3
143.03510	1.8
155.03500	3.4
173.00868	1.0
173.04561	5.3
178.04784	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	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01884	0.7
57.03451	2.3
58.00584	0.6
59.01382	3.7
60.71072	0.3
60.99299	1.8
61.68485	0.3
64.66737	0.3
65.03970	0.9
67.01894	13.5
69.03450	5.0
71.01388	5.6
71.05018	0.6
72.99296	0.8
73.02945	25.1
81.03460	3.9
83.05024	11.9
85.02946	5.5
93.03453	100.0
95.01370	0.4
96.42012	0.3
97.02934	0.6
99.00874	8.5
99.04512	9.2
101.02430	0.8
109.02922	0.8
111.00839	1.4
111.04514	26.2
111.08147	6.4
115.00363	0.5
115.04036	0.7
123.00870	0.6
129.01953	2.8
129.05568	1.6
129.09190	0.7
137.01428	0.7
137.02443	15.2
138.69287	0.3
141.01910	0.4
143.03516	2.4
145.02910	0.6
155.03517	6.2
155.07130	0.7
159.65080	0.4
173.02409	0.7
173.04573	15.3
173.05943	1.1
173.08170	6.3
173.11786	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	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
52.22399	0.2
54.22348	0.2
54.32661	0.2
55.01881	0.7
56.21854	0.2
57.03456	3.3
58.00586	0.7
59.01392	4.3
60.99314	1.2
64.19225	0.3
65.03966	0.5
67.01893	12.5
68.99834	0.4
69.03445	3.6
71.01382	6.4
71.05024	1.4
71.46326	0.3
72.99305	1.6
73.02945	25.8
81.03456	3.7
83.05026	13.0
85.02950	10.7
85.06579	3.4
87.00867	2.0
93.03453	100.0
93.45139	0.3
95.01391	0.7
97.02941	0.6
99.00883	9.2
99.03920	0.5
99.04526	9.5
101.02472	0.6
101.06051	0.4
109.02924	1.1
109.06561	0.4
111.00894	2.4
111.04516	32.6
111.08156	5.5
113.02454	2.3
115.04008	1.1
121.02946	1.8
123.00879	0.6
123.04504	0.4
127.07626	0.6
129.01947	3.6
129.05569	9.4
137.02443	14.1
137.03508	0.6
137.86479	0.3
140.01138	0.4
141.05618	0.6
143.03490	3.3
155.03497	7.4
172.83041	3.7
173.02341	0.7
173.04570	19.0
173.05905	1.0
173.08191	14.7
173.11861	1.2
192.63062	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	173.0455
Annotation	FO 6903A
Peak:m/z	Relative Intensity
55.01864	0.7
57.03445	3.9
59.01379	3.1
60.99295	1.1
64.63974	0.7
67.01893	11.7
69.03452	1.6
71.01383	7.9
73.02947	20.6
81.03454	4.0
83.05026	9.0
85.02949	25.8
93.03454	98.1
99.00870	4.4
99.04524	7.6
103.60358	0.7
106.29602	0.8
109.02949	3.7
111.00889	5.4
111.04521	22.4
113.02468	0.8
129.01929	4.4
137.02432	13.0
140.10866	0.7
141.56189	0.7
143.03436	0.8
155.03520	6.2
173.04547	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	173.0455
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03449	1.9
58.00592	1.0
59.01380	4.1
60.89511	0.8
60.99323	1.2
67.01891	18.5
69.03452	4.7
71.01387	8.0
71.28479	0.8
73.02952	18.0
80.69070	0.8
81.03453	1.7
83.05025	10.9
85.02946	6.4
93.03457	100.0
95.01391	1.5
99.00887	5.9
99.04518	5.0
111.00880	8.6
111.04519	24.0
111.08154	5.5
123.00886	3.5
127.04004	1.5
129.01953	1.3
129.05565	1.2
129.09235	1.1
130.08740	1.1
137.02483	10.6
140.01103	1.0
143.03506	1.0
145.02979	1.7
155.03496	5.5
173.02383	4.8
173.04552	82.8
180.60043	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	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01879	3.8
57.03445	1.2
58.00602	1.5
59.01386	13.3
65.03957	0.9
67.01888	0.9
68.41424	0.7
69.03457	3.8
71.01369	4.2
71.05000	1.4
72.99307	25.0
73.02947	51.6
76.58087	0.9
81.03461	5.4
83.01383	1.0
83.05027	27.2
85.02946	27.9
85.06575	3.8
93.03453	100.0
99.00871	12.6
99.04517	24.3
101.02443	1.9
109.02947	0.8
110.15856	0.9
111.00887	14.3
111.04518	72.5
115.44514	0.8
123.04412	0.8
124.58804	0.9
129.01932	10.1
129.05557	9.9
137.02444	32.4
143.03519	4.7
155.03494	54.7
173.04558	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	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.86803	0.3
54.16413	0.3
57.03453	0.6
59.01387	23.3
59.01688	0.8
64.08199	0.4
67.01896	0.5
69.03453	0.5
71.01381	31.7
72.38914	0.3
72.99308	2.6
73.02945	3.7
75.00872	0.4
83.01384	2.0
85.02945	5.2
87.00873	60.2
95.01392	0.5
97.02966	0.4
99.00908	0.8
101.02431	0.6
103.00400	0.4
112.98797	0.9
113.02445	1.4
115.00368	100.0
124.98838	0.4
127.00353	0.9
127.84720	0.3
131.05006	0.4
140.01146	0.4
140.53441	0.3
157.01305	0.3
160.01697	0.6
169.60109	0.4
175.02487	23.4
175.03943	1.8
175.06190	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	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.13052	0.3
54.37727	0.2
57.03461	0.8
59.01386	21.3
62.59492	0.3
69.03441	0.3
71.01382	30.9
72.45336	0.3
72.99319	1.9
73.02948	2.8
83.01391	2.2
85.02951	3.8
87.00874	56.1
97.02909	0.4
99.00896	0.6
112.98820	0.8
113.02441	1.8
115.00367	100.0
124.01668	0.3
127.00367	0.5
127.30647	0.3
141.03319	0.4
157.01477	0.4
168.67296	0.4
175.02493	23.3
175.03886	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	175.0976
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
55.00713	0.6
59.01373	4.1
66.13114	0.6
66.35419	0.7
69.03455	1.6
71.01379	12.9
71.88952	0.6
72.99355	0.9
73.02946	1.4
83.01367	1.3
83.05070	0.6
83.38328	0.6
84.40533	0.6
85.02941	2.8
85.06589	28.1
85.16155	0.7
87.00873	5.6
97.02930	1.1
99.00899	0.9
101.06075	14.0
113.06085	74.0
115.00352	6.1
124.01605	0.9
125.44153	0.7
129.05579	19.0
129.09207	6.0
131.07138	48.9
153.89459	0.6
157.01468	1.1
175.02573	0.8
175.06088	3.7
175.09758	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
55.16917	0.2
55.81555	0.1
59.01378	0.2
65.43854	0.2
69.99307	0.2
77.03956	0.3
77.87758	0.2
79.73666	0.2
81.03458	0.9
89.03973	3.4
93.03414	0.2
105.03464	7.8
109.02963	0.2
112.01388	0.2
119.99844	0.2
121.02952	0.2
133.02956	18.1
139.03943	0.2
149.02426	2.8
162.03342	0.2
177.01933	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	177.0192
Annotation	Daphnetin
Peak:m/z	Relative Intensity
51.01129	0.3
52.52517	0.3
59.01378	0.7
69.07055	0.4
71.01389	1.4
83.01319	0.4
87.00862	0.4
93.03460	2.4
99.00880	0.7
105.03464	10.0
121.02931	6.3
123.04565	0.6
129.01878	0.5
133.02986	2.7
133.06645	0.4
139.03996	2.4
149.02434	26.7
149.06149	0.4
162.03233	4.0
177.01930	100.0
184.24040	0.4
190.24580	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	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01382	0.9
65.00329	1.1
71.01380	0.8
83.01388	0.3
89.02431	0.2
89.03963	6.2
91.01900	1.1
95.05013	0.4
99.00862	0.5
105.03473	0.9
109.02956	5.6
109.79893	0.2
121.02995	0.4
123.04523	1.1
129.01915	0.2
133.02956	26.8
133.06596	0.4
135.00900	0.3
135.04623	0.2
139.04012	0.5
149.02435	1.6
162.03253	3.8
177.01935	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	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
55.87309	0.2
57.03437	0.3
59.01377	1.4
63.02404	0.6
65.00338	0.5
71.01369	0.5
85.02944	0.3
89.02454	0.4
89.03945	1.4
93.03455	3.7
95.04998	0.5
99.00883	1.1
102.89547	0.3
105.03462	3.5
107.01436	0.3
121.02950	9.0
123.04545	0.5
129.01965	0.7
133.02042	0.6
133.02968	9.8
134.03757	0.6
135.00912	2.5
139.04030	0.4
144.07545	0.3
148.01627	0.3
149.02440	15.8
151.00449	1.0
161.02483	0.3
162.03239	10.7
177.01939	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	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10321	0.2
59.01412	0.2
61.37962	0.2
62.76812	0.2
70.30833	0.2
71.01395	0.2
73.78928	0.2
89.76968	0.2
93.03460	1.3
99.00836	0.2
121.02962	3.0
127.98569	0.2
133.02937	3.5
133.06575	0.4
139.04010	6.8
145.76576	0.2
149.02441	11.9
162.02065	0.3
162.03210	2.4
177.01933	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	177.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16110	0.2
55.21423	0.2
59.01377	0.6
64.32684	0.3
66.57522	0.2
67.66266	0.2
71.01385	0.9
72.67796	0.2
74.14096	0.2
74.41335	0.2
75.00862	0.4
85.02927	0.3
87.00868	0.3
89.02430	0.4
99.00858	1.4
105.03442	0.4
129.01909	0.9
131.03757	0.3
133.02980	0.4
143.02449	0.4
146.02480	6.8
147.03293	2.0
148.04024	0.5
159.01971	0.6
160.02794	4.3
162.03214	4.1
163.36317	0.2
164.81958	0.3
176.02286	0.5
177.03064	100.0
191.38258	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	177.0556
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
50.54112	1.5
51.53938	1.6
55.92593	1.5
59.01376	3.8
61.09423	1.7
62.03334	1.7
71.01377	2.0
80.20518	1.7
82.41120	1.8
93.03449	3.1
99.00869	4.7
107.05034	10.1
109.64367	1.9
113.16214	2.5
121.02930	11.6
131.05019	9.9
131.72063	1.9
132.05798	15.9
133.02972	13.4
133.06589	82.9
134.03732	19.7
135.04558	3.7
140.07465	2.3
147.04578	2.3
147.08211	2.5
149.02443	15.7
149.06064	8.1
162.03236	33.9
164.04701	2.1
177.01970	45.3
177.05554	100.0
177.09198	53.4
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	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
56.85987	0.1
73.02348	0.1
106.04262	0.5
120.02154	0.2
133.02977	0.4
134.03749	2.6
161.02432	0.8
162.03229	100.0
162.25076	0.1
177.01897	0.2
177.05565	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	177.092
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
57.03457	0.8
59.01374	3.2
60.29491	0.4
62.28598	0.4
67.66453	0.4
69.48957	0.4
71.01376	2.1
75.00877	0.7
75.67155	0.4
84.96572	0.4
85.02958	1.8
89.02436	1.9
99.00906	3.2
105.67994	0.4
124.75011	0.5
129.01932	2.3
132.64673	0.5
133.02910	0.6
147.15295	0.5
162.03215	16.5
162.04472	0.9
176.84378	0.6
177.01822	3.8
177.05849	3.5
177.09204	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	178.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18157	1.5
64.15569	1.4
72.47211	1.5
73.13956	1.9
73.60378	1.5
74.65079	1.6
91.12708	1.8
96.89580	1.5
101.99910	1.7
106.04247	8.9
115.17142	1.6
121.02903	1.8
133.02950	34.4
134.03746	100.0
137.02461	17.9
139.03981	6.8
166.62553	2.0
178.02551	11.2
178.06084	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
66.17763	0.2
71.01386	2.7
73.02946	0.5
75.00874	0.3
78.95907	41.5
83.01379	0.2
85.02950	1.3
87.00871	5.7
87.01367	0.4
89.02464	1.7
95.95255	0.2
97.02979	0.4
99.00899	1.7
101.02444	0.9
103.98754	0.2
117.01939	1.5
119.93719	0.3
119.97999	0.2
121.02956	0.3
125.02419	0.5
134.96098	21.9
134.97037	1.7
135.04532	0.3
136.94012	100.0
136.94931	6.0
141.01942	0.4
143.03323	0.2
151.00360	0.3
151.92714	5.5
152.77449	0.2
153.05435	0.2
159.02956	0.3
161.04567	4.4
164.01123	1.1
165.77997	0.2
166.50905	0.2
178.94978	59.9
179.03395	0.4
179.05635	6.2
179.07098	0.6
196.95999	0.2
196.97133	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	178.9602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38496	0.3
59.01389	3.3
67.75663	0.3
71.01377	3.8
71.27563	0.3
73.02943	1.5
78.88288	0.3
78.95908	100.0
83.01379	0.5
85.02509	0.4
85.02943	2.6
87.00867	12.6
88.56116	0.3
89.02467	1.4
92.20046	0.4
94.24939	0.3
94.67456	0.4
95.01326	0.5
96.96986	1.8
97.02952	0.7
99.00869	3.2
101.02477	1.9
105.20442	0.3
112.85849	0.3
113.02435	0.6
115.04057	0.4
117.01942	3.2
125.02431	3.1
134.96188	7.5
134.97121	3.4
134.98911	0.4
135.04713	0.3
136.94104	21.3
136.95070	14.7
141.02075	1.7
151.92862	1.3
159.03058	0.5
161.00941	2.8
161.04559	8.7
177.04210	0.5
178.96263	23.0
179.02214	0.7
179.04115	0.8
179.05615	10.9
182.76732	0.4
196.97382	1.5
197.92712	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	178.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.0
63.02405	21.6
65.00330	8.3
65.65745	0.4
68.71290	0.4
69.03466	0.5
71.01384	3.9
73.02951	0.9
83.01386	15.4
85.02950	2.7
87.00874	9.8
89.02438	2.5
90.90800	0.4
97.02943	0.8
99.00883	2.1
101.02435	1.8
107.01389	41.5
109.02950	1.0
113.02431	0.4
117.01927	1.9
121.02941	0.9
123.04511	0.4
125.02436	1.0
125.32692	0.4
135.00908	0.6
135.04535	7.6
135.08151	1.9
137.02504	0.8
141.01955	0.9
146.03723	1.7
151.00369	100.0
151.04028	2.2
159.02959	0.6
161.04550	5.3
164.01146	5.3
164.04817	1.8
169.01433	22.0
178.99864	53.0
179.03502	6.0
179.05605	9.6
179.07095	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	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52483	0.2
59.01375	1.5
67.47362	0.2
71.01376	1.3
75.00858	0.4
76.27747	0.2
81.03399	0.2
82.11606	0.2
85.02955	0.4
87.00892	1.5
89.02428	0.8
93.03469	0.2
97.26037	0.2
99.00881	0.4
101.02438	0.3
107.01398	0.6
107.05035	1.2
109.03014	0.2
117.01976	0.2
125.02487	0.2
134.03720	2.5
135.04523	100.0
146.03728	0.4
151.00348	1.1
151.03943	0.3
161.04533	1.4
164.01205	0.8
164.04796	0.4
179.00055	0.8
179.03510	18.9
179.05579	1.7
190.69824	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	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98031	0.2
59.01380	0.6
83.66609	0.2
84.79079	0.2
87.00861	0.3
103.95544	0.3
107.05016	1.7
134.03723	3.5
135.04529	100.0
136.95323	0.3
151.00360	0.5
151.03964	0.5
161.04538	0.3
164.01187	1.9
179.03511	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	179.035
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
52.14980	0.2
52.57671	0.2
52.79038	0.2
53.27405	0.2
55.86403	0.2
56.98169	0.2
58.00600	0.3
59.01383	4.1
59.55720	0.2
71.01392	2.4
83.01389	0.4
85.02943	0.7
87.00877	2.8
89.02447	1.5
91.05534	4.3
93.03473	0.3
95.01344	0.3
95.05041	0.4
95.80891	0.3
99.00866	1.1
101.02438	1.0
107.05065	0.4
108.02162	1.4
109.02938	1.4
111.25993	0.3
117.01936	0.7
120.02147	0.6
123.04524	0.6
125.02462	0.5
133.02965	0.5
135.04533	17.7
136.01660	1.2
137.02457	0.6
146.03766	0.4
149.02460	4.9
151.00363	0.6
151.04015	5.4
161.02461	2.2
161.04532	2.0
161.06046	1.9
163.00398	3.4
164.01158	100.0
164.04765	4.4
179.00146	0.9
179.03505	29.1
179.05574	2.2
179.06992	1.0
189.48628	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.57658	0.2
59.01382	1.3
63.60343	0.2
71.01389	1.0
89.02443	0.3
101.02444	0.2
107.05038	1.2
117.03468	0.2
134.03757	3.2
135.04529	100.0
135.21153	0.2
169.11389	0.2
179.03500	15.1
180.09929	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	179.056
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
59.01384	41.0
61.14469	0.7
71.01376	25.5
71.05010	2.4
72.99313	7.6
73.02943	7.2
75.00870	100.0
81.03458	3.7
85.02936	3.6
87.00863	9.5
89.02434	16.5
97.02936	0.8
99.00880	5.7
99.04498	0.9
100.41792	0.7
101.02430	3.0
113.02421	3.0
125.02437	5.0
143.03491	8.0
145.64926	0.7
161.04553	14.1
179.05605	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17704	0.4
55.47437	0.4
59.01376	1.6
71.01363	1.7
79.82435	0.4
85.02959	0.6
87.00896	2.8
88.89465	0.4
89.02429	0.7
107.05010	0.6
113.94245	0.4
121.02925	2.2
127.49545	0.4
134.03743	0.8
135.04535	17.0
141.01978	0.5
149.02446	26.1
155.33180	0.4
161.04596	2.5
164.04794	100.0
178.99838	0.7
179.03502	1.9
179.05597	3.2
179.07159	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	179.0714
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.78902	1.0
57.03447	2.0
59.01390	31.9
69.03450	6.5
71.01380	32.7
73.02931	2.6
74.74138	1.2
75.00874	2.1
78.94492	1.1
81.03472	13.2
83.01394	2.4
83.77975	1.3
83.97397	1.3
84.82100	1.3
85.02940	8.5
86.62309	1.9
87.00874	28.2
89.02447	13.2
95.01359	1.4
95.05014	2.7
96.25153	1.2
97.02975	2.3
99.00870	5.5
101.02433	8.0
102.01960	1.2
106.04219	2.1
107.01428	1.6
107.05020	11.2
108.02171	1.9
109.06591	21.4
113.02494	2.3
117.01936	3.2
119.05000	1.6
121.02963	10.7
121.06600	11.2
122.03713	6.0
123.04532	6.1
123.08138	5.6
125.02411	2.0
133.06602	19.9
135.04521	43.2
135.08148	6.4
136.05307	11.0
137.02446	1.4
137.06079	1.6
141.01895	2.8
146.03757	2.7
149.02388	2.3
149.06085	15.3
150.03172	2.3
150.06877	8.5
151.00354	11.5
151.07637	54.3
159.03055	1.8
161.04536	16.9
161.06068	15.5
163.04037	1.8
164.01106	1.4
164.04828	19.3
178.99998	2.3
179.01767	2.6
179.03610	4.2
179.05611	26.9
179.07143	100.0
179.10742	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	179.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.48118	0.4
64.71938	0.3
71.01369	1.8
72.12132	0.3
73.02969	0.5
75.00887	0.9
82.03371	0.3
85.02963	0.5
87.00877	2.6
89.02470	0.7
93.27020	0.3
96.68456	0.3
99.00883	0.6
101.02438	0.5
107.05044	1.5
108.02151	0.4
109.02921	0.5
117.01952	0.7
121.02898	0.5
133.06638	0.4
135.04544	5.6
137.02419	1.5
145.02945	2.2
146.03735	100.0
147.04523	3.0
149.02440	1.5
151.03932	0.5
159.17332	0.3
160.30409	0.3
161.04613	2.4
161.06062	15.9
162.52092	0.4
163.04004	2.2
164.01170	1.6
164.04791	60.6
173.92339	0.3
178.99960	0.5
179.03598	3.6
179.05612	3.4
179.07159	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	179.0715
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
50.80652	0.2
51.18394	0.2
57.03455	4.3
59.01396	0.3
62.00797	0.2
65.00327	3.1
71.01384	0.5
71.92476	0.2
79.12291	0.3
80.02729	0.2
87.00890	1.1
94.04255	0.5
95.05025	1.0
107.05069	1.7
108.02141	0.2
109.02940	1.7
111.00906	0.3
120.05810	3.4
131.73027	0.2
133.06656	0.3
135.04523	1.2
135.08170	100.0
146.03777	0.3
151.07652	1.2
153.09235	3.8
161.04520	0.3
164.01134	0.3
179.03740	1.9
179.07143	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Massariphenone
Peak:m/z	Relative Intensity
59.01389	9.6
59.80388	0.8
71.01372	5.2
83.65819	0.8
85.02936	1.4
87.00878	13.8
89.02427	1.7
91.01884	7.3
92.19467	1.8
93.03458	25.8
99.00867	2.2
101.02433	1.5
103.68153	0.8
107.05025	5.3
108.02187	29.4
109.02960	8.7
113.02463	0.9
117.01897	2.0
119.05029	15.6
120.05791	6.9
121.02938	1.7
121.88068	0.8
123.04516	7.2
125.02394	1.2
135.04539	40.2
135.08153	12.0
137.02461	1.7
146.38353	0.8
151.04092	1.1
161.04576	8.7
164.01140	4.5
164.04816	6.8
176.98190	0.9
178.99805	4.1
179.03545	4.8
179.05644	10.3
179.07135	100.0
199.26704	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	179.0715
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
59.01385	8.3
71.01379	4.4
83.71760	1.1
87.00867	13.6
89.02433	1.6
92.20097	2.4
99.00896	2.1
99.12540	1.4
101.02443	2.2
101.03953	1.6
105.07094	4.8
109.02934	4.4
117.01902	1.9
119.05013	2.4
125.02404	1.4
125.59631	1.4
128.26480	1.3
135.04515	2.6
135.08165	90.0
141.01924	1.7
151.00337	1.9
153.09187	2.9
161.04485	9.0
164.01094	5.5
164.04753	4.8
178.99878	2.5
179.03456	7.5
179.05592	13.8
179.07118	100.0
182.83522	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	180.0666
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.65623	0.2
59.01382	0.3
86.53934	0.2
93.84063	0.3
94.02979	23.8
107.05024	0.4
108.04547	5.6
108.05234	0.4
109.02954	0.3
119.05032	0.4
132.04556	1.5
134.05080	0.4
134.06128	19.9
136.07681	100.0
152.07187	3.0
165.05052	0.3
178.39995	0.2
180.06668	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	180.0667
Annotation	Tyrosine
Peak:m/z	Relative Intensity
59.01388	1.0
60.99312	0.7
72.00912	3.6
72.01729	0.8
72.99310	86.8
74.00111	1.4
74.02485	0.7
74.08939	0.6
75.00883	8.7
85.01182	0.9
86.86217	0.7
92.19469	1.0
93.03452	3.5
102.03488	1.5
108.80500	0.8
115.33659	1.0
118.06634	22.4
119.05025	9.1
132.04575	1.2
134.06129	45.8
136.67355	0.8
150.04195	1.4
162.05627	25.3
162.28583	0.8
163.04010	12.3
166.63530	0.8
180.05441	4.0
180.06682	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	181.0718
Annotation	Dulcitol
Peak:m/z	Relative Intensity
52.33106	0.5
54.08323	0.6
55.01882	3.4
57.03449	3.5
59.01386	79.2
59.26360	0.6
69.03465	0.9
71.01381	83.8
72.99326	0.8
73.02948	19.9
82.76641	0.6
83.01392	9.3
83.11973	0.6
83.55970	0.6
85.02957	22.0
87.00887	2.8
89.02443	90.9
90.93387	0.8
91.03983	0.7
91.73418	0.7
93.97990	0.7
97.02956	6.9
101.02443	100.0
103.04037	1.3
113.02428	9.2
114.12740	0.7
115.04012	3.5
119.03487	17.2
119.04269	1.3
126.19894	0.7
131.03485	7.0
143.03564	0.9
149.04539	3.0
160.63246	0.6
161.04561	1.2
163.06111	20.0
181.07184	81.7
183.03574	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	181.0871
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
60.58002	0.3
86.48915	0.4
90.45699	0.3
108.02164	0.9
111.04491	0.8
122.03738	19.1
137.06087	3.3
153.41374	0.3
154.02698	0.6
181.08714	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	181.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11991	0.4
54.39132	0.3
56.72390	0.3
57.19201	0.3
72.11206	0.3
75.21026	0.3
76.64191	0.3
86.85083	0.3
93.03461	0.5
108.02155	0.7
109.02936	0.5
111.04507	0.8
121.02985	0.5
122.03732	20.2
137.02425	0.5
137.06061	3.2
143.75110	0.3
154.02742	0.4
158.16721	0.3
166.88036	0.3
181.08707	100.0
185.35899	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	181.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09364	0.2
55.01877	0.2
57.03433	0.9
59.01386	7.6
67.05533	2.5
69.03449	0.5
70.36225	0.2
71.01381	7.5
73.02943	2.0
81.07106	1.8
82.57552	0.2
83.01378	1.3
83.05029	3.4
85.02951	2.3
85.55012	0.2
89.01908	0.2
89.02441	9.7
93.03456	14.4
93.04050	0.5
97.02945	4.4
97.06544	0.2
101.01799	0.4
101.02446	9.6
103.47832	0.2
108.77242	0.2
109.02946	2.2
109.06577	0.2
110.00093	0.4
111.04527	5.3
113.02419	1.1
115.03989	0.3
119.03512	1.5
119.04958	0.3
119.08661	5.3
121.02972	0.3
122.03706	0.3
123.04524	0.2
131.03500	0.9
135.04517	0.3
135.08154	1.0
137.02458	5.2
137.06085	2.3
137.09724	28.7
138.03203	0.4
139.07710	0.2
140.37337	0.2
151.00409	0.3
153.01884	1.0
153.05539	0.4
163.06111	2.0
163.07542	0.5
166.02631	1.9
178.99864	1.1
181.01471	6.8
181.05179	2.6
181.07207	9.4
181.08698	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	181.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.9
57.03197	1.4
57.03455	24.7
58.80456	0.8
59.01385	18.0
66.81792	0.7
67.05537	4.5
69.32856	0.8
71.01382	23.3
71.05016	5.9
73.02941	5.8
73.14027	0.7
81.03461	1.1
83.01393	2.9
83.05026	13.2
85.02957	5.4
89.02438	25.3
93.03455	100.0
95.05043	4.0
97.02955	1.5
99.04532	1.2
101.02441	29.8
107.05034	1.8
109.02937	6.2
109.06606	7.8
110.00173	2.5
111.04533	10.0
113.02470	1.4
119.03486	5.1
119.08647	5.3
121.06570	3.8
122.03745	5.1
123.04494	1.3
125.06096	1.8
131.03487	0.8
135.08148	3.8
137.02448	27.7
137.06081	13.3
137.09721	64.2
137.99585	1.8
138.03284	1.8
139.07684	10.3
153.01964	3.3
162.89473	0.8
163.06148	4.0
163.07674	6.1
165.99135	1.0
166.02710	12.5
166.06335	0.7
181.01442	33.3
181.05260	8.1
181.07162	22.7
181.08710	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	181.0871
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
59.01377	1.4
69.03452	4.3
69.62441	0.2
71.01370	1.6
73.02939	0.2
89.02443	1.7
93.03452	0.8
95.05001	0.4
101.02436	1.5
102.08710	0.2
104.62764	0.2
109.02928	0.4
109.06624	0.2
119.08647	1.0
121.06586	1.6
132.60345	0.2
135.08130	0.9
137.09726	7.7
163.06137	0.2
163.16165	0.2
166.02687	0.2
181.08713	100.0
182.15936	0.2
186.64368	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	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.87995	0.3
65.99856	0.3
87.27602	0.3
91.58786	0.3
97.72227	0.3
109.02946	0.5
121.37875	0.3
127.43532	0.2
137.02444	3.9
151.04051	0.6
152.04782	11.6
156.75891	0.3
167.02246	4.6
182.04597	100.0
199.01248	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	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
53.56746	0.2
57.18850	0.2
69.84444	0.2
88.18459	0.2
90.08675	0.2
92.05049	1.9
94.03004	0.6
102.84840	0.2
108.04552	32.3
110.03307	0.4
110.06147	0.3
120.04534	3.5
123.03271	0.6
136.04054	1.1
137.02429	0.5
138.05611	100.0
182.04584	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	182.0459
Annotation	Isonitrin C
Peak:m/z	Relative Intensity
50.29491	0.5
80.67401	0.5
84.53196	0.5
86.65685	0.5
108.02161	21.7
134.03716	0.8
138.01968	99.5
149.01091	1.0
164.03546	4.7
166.01443	3.2
171.57040	0.5
180.03018	27.7
182.04590	100.0
182.09010	4.9
199.10251	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	183.0298
Annotation	Fomecin A
Peak:m/z	Relative Intensity
50.32618	0.2
65.03957	1.1
67.01892	5.5
69.26173	0.2
70.64983	0.2
74.74394	0.2
81.03458	2.5
92.20020	0.4
93.03465	0.3
109.02948	100.0
110.37585	0.2
121.02896	0.3
139.04005	3.9
164.98735	0.3
179.92212	0.2
183.03047	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	183.0298
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
63.02385	0.5
65.00327	4.0
85.06463	0.4
89.00321	0.7
91.01825	0.5
92.48717	0.5
95.05025	0.4
97.02951	4.4
111.04867	0.4
121.02936	2.9
124.01656	42.7
134.42477	0.4
139.04018	41.3
149.99570	1.0
165.01924	100.0
168.00641	2.5
183.02986	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Fomecin A
Peak:m/z	Relative Intensity
53.74660	0.2
54.54568	0.3
55.58244	0.2
58.52303	0.2
74.42061	0.2
82.00606	0.6
83.01379	0.3
83.26770	0.2
87.88340	0.3
98.70133	0.3
111.00901	3.1
122.03516	0.3
123.00864	0.5
124.01663	28.3
127.00309	0.9
136.98776	2.3
139.00381	2.7
139.04002	0.3
140.01172	5.4
150.65784	0.3
150.71063	0.3
151.00345	0.6
154.99828	0.5
165.02046	0.3
168.00644	16.3
169.81737	0.3
183.02995	100.0
183.10254	5.8
185.72389	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	183.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03450	1.3
65.00325	1.1
66.53315	1.2
69.49855	1.0
95.08677	1.9
100.06580	1.1
101.82433	1.3
124.01686	11.3
139.04037	9.6
139.07649	81.2
153.50063	1.0
165.01923	27.6
183.02982	18.2
183.06705	9.6
183.10260	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	183.1027
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
65.26173	0.4
69.03459	2.4
75.36667	0.4
75.66454	0.4
83.05022	2.9
85.06582	9.1
88.61080	0.4
95.05035	2.2
97.02970	0.6
97.06586	8.1
111.08154	0.9
123.08132	4.1
130.59525	0.4
135.90868	0.5
137.09747	2.1
138.17436	0.5
139.11295	100.0
165.01956	2.0
182.98898	0.5
183.02940	0.7
183.10278	6.4
201.67892	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.44933	0.9
53.70177	0.8
59.15139	0.8
75.42173	1.0
82.45619	1.0
92.20084	2.2
127.22950	1.0
139.04057	1.0
183.04921	2.2
183.13901	100.0
189.04094	0.9
199.91180	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	184.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31921	1.4
58.63612	1.3
88.51440	1.4
100.85327	1.4
112.82996	1.4
148.56641	1.6
180.77498	1.5
184.08923	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	185.0819
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
59.84537	0.4
65.27328	0.4
68.79455	0.4
69.60780	0.5
78.71769	0.5
90.34534	0.5
99.92992	0.5
103.93124	0.5
106.99729	0.5
121.82853	0.4
124.57206	0.4
141.09222	100.0
155.10840	0.5
185.06076	0.6
185.08180	3.3
185.11861	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	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
51.59879	1.0
65.85304	1.1
71.64764	1.3
79.32858	1.3
113.02437	4.9
117.75072	1.2
131.55669	1.2
141.09229	100.0
185.08182	17.6
185.11819	8.9
188.39621	1.3
193.05981	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	185.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
67.96368	0.2
69.03484	0.2
95.44024	0.2
112.42395	0.2
113.02451	4.1
125.09728	4.3
141.09233	9.9
172.61494	0.2
185.08418	3.3
185.11835	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.40117	0.5
57.95175	0.4
59.01382	2.0
69.03443	0.8
69.94722	0.3
71.05025	0.8
73.02943	2.9
73.89391	0.3
76.74768	0.3
95.05044	0.4
95.98621	0.4
97.06605	0.5
99.08141	1.6
100.00613	0.3
107.05004	0.5
113.09718	5.9
115.07639	2.8
123.08179	0.5
125.09718	2.4
128.43358	0.4
137.09698	0.9
139.11301	0.6
141.09250	5.1
141.12862	0.9
155.10762	6.1
157.08672	0.7
167.10770	3.3
185.06137	10.0
185.08423	3.9
185.11833	100.0
194.04315	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	185.1183
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
54.09235	0.4
59.01384	100.0
78.95872	1.0
96.96973	2.1
108.68661	0.6
141.09204	2.5
146.18394	0.5
169.62833	0.6
185.11827	16.8
185.15425	0.6
193.11444	0.7
195.44299	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	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03420	0.2
54.34874	0.2
57.03460	0.3
59.01381	1.5
69.03458	2.2
71.05023	0.7
73.02935	1.3
85.06596	0.3
88.01829	0.3
92.19430	0.4
97.06559	0.6
99.08155	2.4
113.09718	6.8
115.07651	3.9
125.09769	2.5
141.09229	2.6
141.12827	0.6
155.10764	2.6
157.08698	0.4
158.93150	0.3
167.10750	2.0
185.11835	100.0
188.34294	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	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.37101	0.1
52.98837	0.2
73.54897	0.2
74.97427	0.2
77.05009	0.2
77.97739	0.2
93.63058	0.2
97.06584	2.6
99.43372	0.2
113.60973	0.2
123.08086	0.3
141.09244	2.0
141.12869	3.0
142.36394	0.2
167.10767	6.2
173.04559	0.2
185.11842	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03453	0.6
69.15591	0.1
75.01049	0.1
113.02443	3.5
123.08125	0.1
125.09720	4.0
141.09225	8.2
148.55240	0.1
167.07185	0.1
167.10796	0.2
169.08752	0.1
185.08432	3.0
185.11838	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	186.0774
Annotation	N-(3-Hydroxybutanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
58.02977	3.8
66.47738	0.5
67.55841	0.4
82.03011	0.7
84.04544	15.3
91.64643	0.6
94.52478	0.6
96.96973	0.7
98.06116	8.2
100.04050	67.1
102.05635	0.8
107.32838	0.6
114.05622	1.1
124.69511	0.6
137.03539	0.6
140.07191	1.3
142.05093	19.0
142.06120	1.0
142.08737	14.4
168.06686	2.7
186.07726	100.0
188.79471	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43510	0.3
59.01383	42.3
60.95853	0.4
63.71114	0.4
77.35056	0.4
78.11456	0.5
78.19118	0.4
90.97134	2.1
97.06551	1.0
98.99348	0.4
115.02523	3.3
115.27918	0.5
117.00439	7.1
125.09708	10.2
132.98155	2.0
141.00470	0.4
143.01976	4.9
159.01488	100.0
169.00003	0.5
186.95645	2.0
187.00986	9.3
187.04088	0.4
187.06137	0.6
187.09752	6.8
187.13431	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	187.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	4.1
59.01378	1.5
67.01875	0.5
68.01409	1.9
69.03447	0.3
71.01377	0.3
72.99335	0.4
81.03455	0.8
83.01384	0.8
84.02140	0.4
90.97138	1.6
95.02514	0.7
97.02937	0.4
97.06600	0.6
97.99438	0.6
98.37237	0.3
99.00206	1.7
99.00873	1.5
99.04532	3.1
106.10822	0.4
108.03323	0.7
109.04103	1.2
111.00220	22.9
111.98615	0.6
112.98156	2.3
113.98926	0.7
114.05589	2.0
115.04012	0.5
123.01994	4.5
124.02788	3.2
125.02460	3.8
125.06066	0.8
125.09718	6.8
126.99666	6.0
127.00520	0.5
128.01196	1.4
132.98210	2.2
138.99690	6.0
140.00507	45.2
141.98308	0.6
142.99226	2.1
143.03485	2.0
143.07123	0.8
143.11877	0.7
145.09837	2.5
154.99820	0.7
155.99991	42.7
157.00764	100.0
159.01535	0.7
159.04549	0.4
165.28642	0.4
169.01407	0.5
171.99467	2.9
173.58182	0.4
186.95631	0.6
187.01791	14.0
187.06142	0.6
187.08138	0.7
187.09521	1.1
187.10002	0.9
187.10989	4.6
202.04962	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	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
51.03329	0.8
57.03441	1.4
59.01389	41.9
67.01886	11.4
67.22884	0.9
67.78115	1.0
69.03471	1.2
71.01389	10.2
71.05023	33.1
81.03461	6.7
81.44646	0.9
83.05029	22.8
84.98554	1.1
85.02951	0.9
94.00536	0.9
97.02935	5.3
97.06574	2.0
99.00874	11.4
99.04519	27.9
99.05113	1.8
99.08148	6.8
100.04060	3.8
101.04366	5.1
110.03773	1.1
110.27191	1.1
111.00861	5.9
115.04009	100.0
125.02444	14.9
125.06087	58.4
125.07027	2.1
125.09705	10.8
127.04013	6.9
139.97490	1.9
143.03503	6.9
143.05435	2.1
143.07146	52.1
154.99849	4.1
169.05074	5.1
187.02489	5.2
187.06133	44.3
187.07915	2.0
187.09752	6.6
187.11151	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	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.95107	0.1
64.19962	0.1
74.61175	0.1
86.14595	0.1
98.11115	0.1
102.03486	0.2
116.05053	0.1
122.60527	0.1
144.04552	100.0
144.22905	0.1
159.03247	0.2
181.42038	0.1
188.03537	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	188.0565
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
50.96934	0.4
53.87989	0.4
57.03448	2.3
58.02962	0.6
59.01384	3.6
59.26654	0.5
60.14236	0.5
60.44040	0.6
61.54166	0.6
65.04820	0.5
72.04557	4.1
78.15848	0.5
82.02987	2.7
83.01378	9.5
85.02950	1.2
86.02487	1.4
86.06087	4.7
94.02969	0.8
96.04555	6.1
98.02477	78.2
98.06123	4.3
98.37992	0.5
100.03987	0.9
100.07700	3.2
102.05618	8.0
103.02292	0.5
108.04568	3.3
112.04047	5.9
114.05603	82.6
116.07178	16.6
124.04046	11.1
126.05601	17.1
128.03529	7.8
142.05101	100.0
144.06667	46.9
170.04578	2.9
188.05653	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	188.0566
Annotation	5-deoxy-5-amino-3-dehydroquinate
Peak:m/z	Relative Intensity
50.18744	1.0
55.01910	1.1
58.02980	2.5
59.01384	12.5
59.57663	1.1
67.01913	1.4
72.04535	3.0
74.02471	1.2
82.02965	1.7
83.01394	10.4
84.04527	1.8
86.06115	5.2
96.04528	7.2
98.02478	77.7
98.06106	2.2
99.04546	1.3
100.04031	2.7
100.07703	9.3
102.05612	39.9
108.04539	2.2
112.04041	5.8
114.05607	89.1
116.07170	19.1
124.04041	7.2
126.05601	19.2
128.03542	36.3
133.35239	1.1
140.53264	1.1
142.05103	100.0
144.06656	56.9
144.10289	9.5
146.04567	2.6
170.04601	8.0
173.04936	1.2
188.05649	69.3
188.09271	6.9
196.27362	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	189.1285
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.09391	0.5
55.56907	0.6
58.43408	0.5
77.08238	0.7
79.09209	0.5
99.57506	0.6
147.11787	2.8
157.06610	0.7
171.11792	0.9
173.09709	14.3
174.10550	4.8
187.11282	2.7
189.12846	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	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.25655	0.2
55.32806	0.2
57.03455	4.5
63.51674	0.2
66.84795	0.2
67.01887	1.2
84.25336	0.2
85.02951	31.9
87.00874	43.1
95.73202	0.3
101.02431	0.5
111.00881	100.0
129.01939	6.1
130.99878	1.2
147.02982	0.4
154.99869	1.1
173.00897	2.1
191.01993	9.8
191.05626	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.5
58.13410	0.3
59.01378	1.9
60.64355	0.3
64.04871	0.3
67.01894	1.9
69.98610	0.2
71.01391	0.6
71.62154	0.3
85.02950	35.5
87.00874	44.3
90.13699	0.3
93.03459	2.2
101.02445	0.5
109.02972	0.4
111.00879	100.0
111.04496	0.7
122.97681	0.3
127.04024	2.4
129.01926	5.5
130.99870	0.6
145.96243	0.3
154.99850	0.4
171.02983	0.5
173.00800	2.2
173.04529	1.9
191.02017	10.9
191.05627	63.3
210.45703	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.1
59.01382	1.7
61.54591	0.3
67.01897	1.8
71.01405	0.5
72.99319	0.3
73.02935	0.5
85.02952	39.9
87.00875	46.0
93.03459	2.6
109.02984	0.4
111.00880	100.0
111.04520	0.6
117.01986	0.4
127.04026	2.7
129.01947	6.3
130.99928	1.2
140.47578	0.3
147.03102	0.5
154.99838	0.7
171.02995	0.4
173.00899	1.4
173.04547	1.4
191.02028	11.0
191.05634	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
59.01392	1.0
64.28161	0.2
71.01364	0.4
76.89953	0.3
80.73604	0.3
85.02950	5.5
85.28233	0.3
87.00883	2.4
93.03453	1.8
97.61514	0.3
104.02691	1.4
111.00915	2.1
111.04522	0.5
127.04006	1.4
132.02176	1.9
147.04539	0.5
148.01672	7.3
170.09665	0.3
171.02873	0.4
173.04546	0.7
176.01158	100.0
191.03529	76.7
191.05617	36.2
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
56.38314	0.3
57.03438	0.4
59.01380	2.5
67.01862	0.5
71.01371	1.4
71.26144	0.3
73.02924	0.7
74.84497	0.3
83.05032	0.4
85.02943	15.5
87.00874	4.2
89.32630	0.3
93.03455	4.5
109.02953	1.3
111.00871	4.5
111.04497	2.1
127.04001	4.2
144.75880	0.3
171.03020	0.7
173.04533	1.7
174.42244	0.3
191.05618	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54352	0.1
51.12749	0.1
51.53307	0.1
51.74973	0.1
55.94026	0.1
57.03445	0.6
58.95634	0.1
59.01385	1.7
67.01883	0.6
69.03452	0.2
71.01375	1.0
72.99288	0.1
73.02951	0.6
81.03451	0.3
83.05032	0.5
85.02949	15.2
87.00874	5.8
87.01258	0.1
87.01409	0.1
93.03456	3.9
99.00886	0.2
99.04497	0.6
109.02966	1.1
111.00877	7.5
111.04516	1.8
127.04015	3.5
129.01955	0.6
137.02518	0.1
154.99832	0.1
155.03481	0.1
162.27377	0.1
171.02971	1.0
173.04552	2.3
191.05627	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32702	0.2
59.01379	2.0
61.91008	0.2
67.01889	0.4
71.01380	0.9
73.02940	0.3
83.05057	0.2
85.02946	12.8
87.00872	2.2
93.03447	4.2
96.87055	0.2
99.00887	0.2
99.04520	0.3
109.02975	1.3
110.60741	0.2
111.04533	1.9
113.02439	0.2
119.66810	0.2
121.39268	0.2
127.04002	4.1
155.03471	0.2
171.03035	1.3
173.04530	2.3
191.05621	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	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
58.03086	0.3
59.01383	2.1
71.01379	1.2
83.05006	0.6
85.02946	16.5
87.00865	5.6
93.03460	4.6
99.04498	0.5
109.02940	1.2
109.03700	0.3
111.00871	6.3
111.04504	1.8
117.01879	0.3
125.64996	0.3
127.03998	3.8
129.01971	0.5
146.26962	0.3
171.02966	1.4
173.04533	1.9
191.05621	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	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43167	0.3
57.03458	2.3
59.01387	2.3
67.01900	1.4
69.03475	0.4
71.02214	0.3
73.02965	0.5
83.05022	0.5
83.41558	0.3
85.02956	24.9
87.00878	24.0
87.01425	0.5
93.03451	4.8
100.34626	0.3
109.02940	1.3
111.00884	49.7
111.04525	2.7
113.02434	0.3
123.05828	0.3
127.04019	4.2
128.08429	0.4
129.01952	3.1
129.05592	0.8
155.03487	0.6
166.77283	0.4
173.00969	0.5
173.04556	2.4
173.75385	0.3
184.77873	0.3
191.02051	6.3
191.05638	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01382	2.3
69.03450	0.6
71.01387	2.1
73.02940	2.5
75.20782	0.3
83.01382	0.8
84.03965	0.3
85.02946	5.1
87.00876	1.8
88.23420	0.3
89.03948	1.4
95.01382	0.5
97.02968	0.8
97.86987	0.3
99.00878	2.3
101.02459	2.7
101.24556	0.3
113.02441	1.6
113.57764	0.4
117.03461	5.1
125.02428	2.9
134.03743	100.0
137.02441	0.7
141.01962	1.6
149.06064	3.5
154.00139	0.3
155.03458	0.4
161.04576	14.3
161.05913	0.5
175.06163	0.3
178.02727	8.5
193.05083	5.8
193.07173	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	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
52.77052	0.4
55.74667	0.4
58.33289	0.5
58.86371	0.4
59.01382	2.0
59.33371	0.5
71.01372	0.8
72.56480	0.5
73.02942	1.8
73.75192	0.4
80.28404	0.4
81.27165	0.5
83.01386	1.0
85.02946	3.2
87.00879	2.1
87.66141	0.5
89.03974	1.9
92.19559	0.5
97.02943	0.8
99.00873	1.8
101.02431	0.9
113.02475	0.5
117.03460	6.5
125.02427	1.1
134.03743	100.0
137.02440	2.8
137.84367	0.5
139.03949	0.7
141.01901	0.7
146.88339	0.5
149.06073	11.2
150.03171	0.5
161.04555	10.2
178.02722	27.1
193.03320	0.5
193.05078	14.6
193.07133	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04318	0.4
53.43613	0.4
55.01872	2.1
57.03454	3.8
57.30814	0.4
58.06353	0.4
59.01385	16.3
68.99818	0.5
69.03466	5.8
71.01382	13.7
72.99283	1.1
73.02946	17.2
75.49105	0.5
79.01897	1.0
81.03464	2.6
83.01395	9.3
83.70112	0.5
85.02947	33.4
86.00141	0.6
87.00870	15.1
89.02421	0.9
95.01405	5.3
97.02952	9.3
99.00880	16.6
100.01656	1.0
101.01804	1.0
101.02439	18.4
102.59012	0.5
106.04254	0.5
107.01382	0.6
111.00880	2.3
113.02448	14.2
115.03981	2.3
117.01947	0.6
121.02971	0.7
123.00885	1.2
124.01648	2.0
125.02433	14.9
133.02966	2.9
134.03741	100.0
137.02435	9.3
139.04027	2.3
140.01195	1.0
141.01942	10.5
142.02748	0.7
149.06070	17.2
150.03233	0.9
155.03540	2.4
159.02982	1.1
161.04552	92.1
173.04434	0.5
175.06090	2.8
175.07545	0.5
178.02719	59.8
193.05075	21.9
193.07191	21.5
193.08882	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57868	0.4
51.67368	0.5
55.01881	2.9
57.03455	4.4
57.83670	0.5
59.01385	12.7
69.03459	4.8
71.01391	11.8
71.32181	0.5
73.02945	14.3
79.01899	1.0
81.03441	3.0
83.01395	7.7
85.02443	1.2
85.02949	31.1
86.00080	0.7
87.00869	12.3
91.01913	0.7
95.01402	4.2
95.03547	0.5
97.02950	11.4
99.00876	13.6
100.01669	0.7
100.14468	0.6
101.02444	15.6
107.01410	0.7
108.02161	3.1
109.02946	0.5
111.00871	2.7
113.02444	12.3
115.04013	1.0
123.00894	1.4
124.01657	1.2
125.02433	17.0
134.03757	5.1
137.02460	0.6
140.01135	0.7
141.01952	13.0
142.02672	0.9
149.02501	0.9
149.06097	4.8
152.01144	5.3
155.03484	1.1
159.02963	1.4
161.04561	82.1
166.02660	0.9
167.03496	100.0
175.06078	3.0
178.02673	3.6
193.01385	0.8
193.05064	32.0
193.07166	23.8
193.08684	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	193.0718
Annotation	Methyl beta-D-fructofuranoside
Peak:m/z	Relative Intensity
55.01880	3.1
57.03453	4.5
57.58204	0.5
58.00608	0.9
59.01385	15.7
67.46791	0.5
69.03462	7.0
71.01385	15.2
72.99319	2.1
73.02952	20.7
79.01904	1.4
81.03460	1.2
83.01386	11.3
83.41829	0.6
85.02951	36.8
85.03458	1.4
86.00154	1.0
87.00879	16.5
95.01389	4.2
97.02947	11.3
99.00889	17.2
101.02446	17.8
111.00870	1.2
112.01684	0.7
113.02454	13.7
115.04012	2.6
117.20121	0.5
123.00919	1.2
124.01670	0.8
125.02444	19.4
129.01886	0.6
131.03529	0.8
140.01149	1.3
141.01947	12.5
142.02728	0.7
153.12614	0.6
155.03542	3.3
159.03038	1.0
161.04558	100.0
175.06097	5.2
193.07213	29.5
207.51117	0.6
213.65411	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	194.0822
Annotation	L-Tyrosine methyl ester
Peak:m/z	Relative Intensity
54.89876	1.1
55.01908	1.0
57.03455	1.3
58.03809	1.3
59.01377	9.2
60.01717	5.0
68.14559	1.0
69.03472	1.2
70.03790	1.5
71.01374	9.4
72.01726	6.6
72.99308	100.0
73.02947	11.4
74.03281	7.0
75.00876	12.3
77.88802	1.0
83.01399	4.2
84.01711	5.8
85.02950	14.3
85.84587	1.2
86.03287	19.3
87.00866	6.1
88.01214	6.2
95.57916	1.0
96.01723	2.3
98.03283	5.7
99.00876	6.5
99.30237	1.1
100.01213	6.5
101.02457	10.2
102.02787	10.9
112.01215	2.2
113.02410	1.7
114.02760	8.8
119.04988	1.8
126.02818	10.0
130.06628	2.2
132.08188	21.2
133.05339	9.7
136.04013	1.8
141.01741	1.1
142.02242	11.8
148.07695	22.6
156.03835	1.9
161.04547	13.2
162.04900	75.7
176.07295	18.7
194.04695	1.7
194.08311	59.9
197.54858	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	195.03
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.89345	0.6
58.51592	0.6
83.01376	0.7
90.40052	0.6
95.01395	1.0
108.02176	35.4
111.00891	5.8
123.00882	17.6
123.01768	0.9
124.01661	16.1
135.00902	1.2
136.00702	1.2
136.01669	20.3
137.02509	0.9
139.00362	1.4
152.01122	4.9
165.05525	1.4
167.03535	7.5
195.02998	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	195.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31077	0.5
57.03444	5.6
59.01105	0.9
59.01383	21.0
59.52476	0.6
68.99809	0.9
71.01378	10.1
72.99303	4.3
75.00872	100.0
83.01382	1.4
85.02956	10.3
87.00872	17.4
88.96619	0.5
89.02431	7.2
89.41769	0.6
99.00877	27.8
101.02451	3.8
105.01941	4.2
111.00880	3.1
113.02409	0.7
129.01942	49.5
141.01924	3.0
147.02985	1.3
147.45782	0.6
159.02988	8.6
163.05002	2.6
177.04036	9.0
177.78625	0.6
195.05104	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03458	6.2
58.76588	0.8
59.01140	1.2
59.01388	20.6
60.90529	0.9
64.91628	0.9
66.06958	0.9
69.03439	0.9
71.01387	12.1
72.99307	4.2
75.00873	100.0
78.95909	4.4
85.02950	10.4
85.47728	1.1
87.00875	21.0
88.88942	1.0
89.02452	12.8
96.96973	15.4
99.00881	23.1
101.02441	4.6
105.01956	10.9
111.00890	3.8
113.02435	1.1
120.99264	0.9
129.01942	38.4
132.31721	0.9
135.03018	1.0
141.01956	3.9
147.02997	4.8
159.03026	9.2
163.05051	4.1
177.04065	16.5
195.05112	96.2
202.51512	0.8
204.43617	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
51.66509	0.9
58.00603	19.6
59.01379	5.9
71.01369	1.6
72.99316	2.2
73.99603	1.2
75.00858	1.4
75.44665	0.9
83.78884	0.9
85.02955	2.0
93.03439	2.2
101.01383	1.1
101.02403	2.0
105.38705	1.0
106.42955	1.0
107.05041	14.1
108.02156	1.9
121.02950	18.8
122.03751	23.1
123.05647	1.6
130.52306	1.1
150.03218	17.3
151.04059	10.0
163.05081	6.7
165.05580	17.6
175.78345	1.2
180.04289	100.0
195.04977	2.1
195.06560	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	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87536	0.8
58.00603	23.3
59.01391	7.1
62.73686	0.7
70.21708	0.7
71.01360	1.4
72.99303	3.7
73.99632	1.2
74.86055	0.9
75.00872	3.7
85.02936	4.8
87.00864	1.1
87.03382	1.2
93.03468	3.1
107.05020	3.7
108.02148	4.0
121.02948	24.1
122.03732	24.2
123.05653	1.1
127.02937	1.1
129.01929	1.0
133.08516	1.1
137.06093	1.9
150.03210	20.3
151.04013	4.5
151.08731	1.9
161.04590	1.7
163.03925	1.1
163.05048	12.0
165.05542	20.4
180.04295	100.0
195.05057	1.4
195.06567	26.0
195.08403	4.1
214.20399	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	195.0663
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.33701	0.4
59.01390	0.4
64.92522	0.5
83.05031	0.6
93.03442	6.0
93.03922	0.4
106.04253	11.0
107.05025	5.2
109.02912	0.6
109.78791	0.4
111.04563	0.7
119.05005	1.8
121.02994	3.8
121.06587	100.0
133.06590	11.3
134.33348	0.4
139.03949	0.5
151.04010	2.7
151.07657	7.2
153.03058	3.6
154.84654	0.5
163.05040	0.6
165.05565	79.8
177.05568	19.7
195.06630	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
51.85155	0.3
59.01392	0.7
73.02947	27.7
82.29021	0.4
115.58634	0.5
119.04980	1.0
121.06575	0.6
133.06593	5.3
135.00909	0.5
135.04507	0.8
136.26555	0.5
149.06064	1.8
151.04047	2.0
151.07648	100.0
195.02985	2.0
195.06644	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	195.0664
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
57.03462	3.1
58.67743	0.3
61.18532	0.3
73.02930	0.5
76.91827	0.4
81.82285	0.4
92.02684	0.4
93.03452	26.4
107.05035	4.1
109.06579	0.5
112.40067	0.4
117.55466	0.4
123.04514	0.9
133.06599	7.4
135.04536	8.9
136.01645	1.6
136.05292	1.5
137.09755	2.1
143.01158	0.4
147.78583	0.4
150.03223	2.4
151.04073	5.0
151.07643	85.5
163.05032	0.5
165.05510	0.7
180.00595	0.4
180.04282	0.7
195.03036	4.4
195.06635	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	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
52.98764	0.3
65.99853	1.6
76.01926	1.0
78.03487	2.1
81.26117	0.5
87.65334	0.5
90.16663	0.4
90.33731	0.5
92.99883	0.5
94.03003	0.5
94.59942	0.5
104.01437	2.4
104.99849	0.6
106.02976	1.6
109.02943	1.6
116.10685	0.4
120.00911	1.6
122.02483	1.7
123.00873	0.5
132.00838	0.6
133.01675	2.5
136.00424	0.5
137.01193	3.1
137.02338	0.8
138.01978	2.0
150.01955	7.2
151.01540	0.7
151.02765	2.0
163.01547	1.5
167.01007	0.7
167.02249	1.5
168.01749	0.9
179.00961	2.5
180.01781	7.1
182.05826	0.7
197.02048	100.0
197.11783	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	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22180	0.7
58.70263	0.7
59.51101	0.6
67.01881	3.5
69.03458	6.9
76.42150	0.8
79.01897	1.4
79.05532	2.8
81.03458	9.5
91.31554	0.6
95.01382	4.1
95.05036	10.2
97.02949	25.9
100.18540	0.6
109.02925	3.3
111.04530	8.0
122.03722	3.2
123.04518	100.0
125.02441	5.0
135.04500	3.4
137.02505	0.9
140.40024	0.8
151.04004	0.8
153.02014	0.9
153.05573	64.4
182.05814	0.8
197.04539	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	197.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01390	1.1
65.00313	2.0
65.39552	0.5
68.99796	0.7
81.03476	0.8
83.01389	11.9
85.45578	0.5
91.01909	2.0
93.03464	1.0
95.01362	0.8
96.96016	4.9
107.01377	1.3
107.05022	0.7
109.02944	36.7
111.04485	2.8
120.69563	0.6
121.02947	4.0
123.00867	0.6
123.04503	1.2
125.02437	38.4
126.99425	0.7
133.02975	0.7
134.03726	10.5
135.04526	0.7
136.01657	3.4
137.02446	34.7
139.04004	1.0
151.00374	13.3
151.03984	5.7
152.04800	6.9
153.01927	48.5
153.05493	0.9
153.09207	3.5
164.04765	0.9
179.03517	3.4
182.05855	100.0
197.00941	6.6
197.04570	9.9
197.08186	28.5
197.10004	0.7
197.11845	1.0
198.98073	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	197.082
Annotation	Curvulide A
Peak:m/z	Relative Intensity
53.53660	0.3
53.82928	0.3
57.03447	0.3
76.12432	0.3
79.92590	0.3
80.96506	0.5
81.03482	0.4
82.11207	0.4
83.01385	0.6
85.54287	0.5
92.20058	0.4
95.01376	0.3
96.95977	0.7
100.56663	0.4
107.05041	0.5
109.02950	8.5
110.00103	0.3
121.02955	0.6
123.04506	0.7
125.02442	8.4
133.02948	0.6
134.03745	12.0
135.04602	0.5
136.01616	3.1
137.02444	28.1
138.03142	0.5
149.06042	0.4
151.04030	4.2
152.04788	8.1
153.01950	3.8
153.05573	1.5
164.04805	1.3
166.99837	0.6
179.03499	1.8
179.07159	0.6
182.02332	2.1
182.05853	100.0
192.37209	0.3
197.00925	4.0
197.04669	3.2
197.08202	30.1
211.66556	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	197.082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72844	0.8
59.47038	0.8
59.82813	0.8
62.32043	0.7
65.94292	0.8
97.19199	0.9
104.22123	1.0
109.02971	1.8
121.02986	1.0
125.02414	3.2
134.03748	11.3
136.01680	4.2
137.02449	32.5
151.04008	3.3
152.04813	9.3
153.01871	1.5
161.15906	0.8
164.04813	1.2
166.99915	0.9
182.05859	100.0
196.67148	0.8
197.08206	26.5
197.09959	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79435	1.0
57.03434	3.4
59.01384	100.0
62.59439	0.9
86.09922	1.0
92.20195	1.0
97.06590	1.1
101.02443	1.0
109.02911	2.1
111.97447	0.9
122.46148	0.9
125.02442	1.6
137.02454	3.5
153.01958	1.7
153.09181	1.0
179.03502	2.1
182.05865	8.0
197.04445	1.1
197.08150	5.1
197.11832	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.94822	1.2
63.71994	1.1
85.80658	1.4
85.95904	1.1
99.53883	1.3
102.55530	1.2
116.92823	1.6
137.02426	2.7
141.09233	1.4
151.90605	1.2
153.12865	10.8
169.12321	14.8
182.05865	11.7
182.07205	1.3
197.04529	1.8
197.08177	6.1
197.11835	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33382	0.7
56.70269	0.6
69.03462	1.2
75.54353	0.7
82.27676	0.6
92.20152	1.2
97.06568	1.0
134.37093	0.8
153.09198	1.6
153.12833	7.5
169.12354	16.3
179.10800	1.6
182.02361	0.7
182.05859	1.4
182.59497	0.7
197.11839	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.01410	0.4
56.16750	0.3
59.26234	0.3
67.83212	0.4
71.05008	0.6
80.30439	0.3
97.05997	0.6
97.06584	12.2
98.22178	0.3
99.08163	3.7
102.49679	0.4
109.06583	0.4
119.13792	0.4
122.03722	1.5
126.03191	0.8
137.09708	1.6
151.11256	0.5
153.12848	100.0
179.10773	20.8
192.05423	0.4
197.11838	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
59.01385	100.0
92.62532	0.6
99.82619	0.7
100.68194	0.6
100.83631	0.7
101.02453	1.5
110.73790	0.8
126.00058	0.6
126.42696	0.6
186.16608	0.6
197.11838	14.9
200.13248	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	199.0613
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01879	1.4
57.03454	2.0
59.01385	100.0
60.90371	0.8
71.01398	1.1
81.03448	2.1
83.05026	66.9
86.54615	0.8
87.49220	0.9
93.07087	5.0
95.05022	1.5
109.02948	0.9
109.06560	1.4
111.03777	0.8
111.04504	4.8
111.08154	17.7
111.34075	0.9
112.65303	0.9
112.98787	3.2
125.06059	5.3
127.03989	5.4
137.06104	9.9
155.03520	4.5
155.07141	52.8
155.10779	1.9
156.35089	0.9
199.06123	14.0
199.07874	1.5
209.80353	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	199.0612
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.45846	0.2
53.60726	0.2
55.01637	0.3
55.01883	6.0
58.59031	0.2
62.18374	0.3
63.32863	0.2
67.01872	0.3
71.05017	1.0
83.05020	0.4
95.05035	0.3
107.56626	0.3
109.06582	1.5
111.08151	100.0
119.60877	0.3
122.03719	4.0
124.99146	0.2
127.04031	0.3
130.06593	0.3
135.87791	0.2
137.06079	26.8
137.15977	0.2
155.07143	11.7
155.10738	0.2
157.07645	0.9
163.03925	0.3
181.05075	6.9
199.06111	5.7
199.07942	0.3
199.08813	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	199.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03443	2.3
59.01385	100.0
65.15785	0.5
68.85021	0.5
69.03443	1.9
71.01368	0.9
71.27113	0.5
77.29634	0.6
81.03461	3.6
83.05029	67.7
86.09878	0.6
90.47437	0.7
93.03469	0.9
93.07111	4.4
93.07628	0.6
95.05061	0.6
96.96944	0.7
109.02976	0.7
109.06590	2.9
111.04532	1.1
111.08157	20.0
124.24078	0.5
125.06094	2.2
127.03975	5.1
137.06093	7.0
141.81493	0.6
144.52269	0.7
151.03952	0.6
155.07143	46.4
155.10727	1.0
155.90573	0.6
189.77490	0.6
199.06163	13.5
199.09790	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
64.77546	0.3
70.20409	0.3
133.16309	0.3
137.09720	5.7
137.81299	0.3
155.10782	100.0
157.36639	0.3
167.98331	0.3
179.67451	0.3
181.08699	0.6
199.09785	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.87873	0.3
53.15850	0.3
83.05033	0.4
83.22872	0.4
93.08262	0.4
137.09729	7.5
155.10780	100.0
163.55563	0.4
181.08725	1.5
199.09796	6.9
201.57765	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	199.0978
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.72007	1.5
56.86089	1.7
57.03450	1.6
57.19719	1.6
63.61184	1.7
69.03439	7.0
70.80437	1.7
71.30254	2.0
78.00187	2.3
81.98534	2.2
83.05020	8.9
95.05041	13.1
97.06586	33.4
113.00486	1.8
123.04518	68.6
137.09698	2.4
141.04488	3.7
141.05582	100.0
155.10768	3.4
181.08676	7.9
199.09772	90.9
199.17001	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	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
59.01382	0.9
71.05022	0.8
79.90530	0.4
83.04994	0.4
125.09716	1.6
127.11264	1.8
137.09737	1.9
153.12839	2.9
155.10785	18.0
167.03157	0.4
181.12326	1.6
197.11865	0.8
199.03996	0.7
199.09668	2.5
199.13408	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	200.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35342	1.3
58.35776	1.3
60.87495	1.4
71.01387	2.3
72.99313	2.3
75.00872	1.6
75.93067	1.2
82.03011	2.3
84.04569	2.3
95.05032	7.5
96.04545	5.6
98.02467	6.9
103.92041	2.8
104.92808	2.6
108.04530	3.4
110.02483	29.9
110.06123	3.0
111.04515	2.3
112.04050	7.7
112.07694	3.2
123.03228	2.0
124.04048	3.5
126.05621	3.1
128.03528	2.4
136.04036	5.7
138.05583	22.9
145.96675	2.1
154.05098	27.5
155.03468	3.4
156.06671	25.8
168.03069	1.5
182.04578	29.5
200.05664	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63062	0.3
59.01387	100.0
69.79598	0.4
84.52678	0.4
113.04631	0.4
115.02541	0.5
157.03555	11.0
159.01500	3.0
169.96164	0.4
201.02563	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28888	0.4
58.50398	0.4
59.01385	100.0
66.57499	0.4
67.21741	0.4
81.07217	0.5
89.63203	0.4
99.95556	0.4
101.69989	0.4
105.44420	0.4
142.38974	0.4
157.03563	12.0
159.01506	2.3
201.02567	16.8
221.16963	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	201.077
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
53.38312	0.5
57.03450	2.4
57.54414	0.5
59.01373	0.9
69.03457	2.6
71.05020	3.5
87.70134	0.5
95.08659	2.4
97.06605	2.6
111.08147	1.3
113.09715	0.9
127.07645	18.4
139.07654	100.0
139.11247	1.3
139.20731	0.5
155.10771	1.4
157.08710	10.2
159.04578	0.7
177.27304	0.7
183.06628	4.3
183.10300	3.7
201.02008	2.5
201.05658	2.3
201.07689	6.7
201.11351	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.88211	0.8
54.45539	0.9
57.03442	4.6
57.21487	0.8
59.01381	1.6
66.40769	1.0
67.84064	1.1
73.18704	1.0
81.27465	0.9
92.19466	2.4
111.08143	5.0
137.09673	1.4
139.11296	100.0
157.06604	10.6
157.12349	2.3
183.10272	40.3
201.01866	1.5
201.05577	6.3
201.11342	83.4
201.15016	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.89271	0.3
60.34369	0.3
72.99316	0.4
73.02935	0.5
88.05207	0.4
97.06604	0.4
99.00829	0.6
99.08160	2.5
111.08166	0.7
125.09723	15.1
137.09708	3.3
139.07669	1.8
139.11313	0.8
142.19620	0.4
147.06816	0.4
152.64226	0.4
155.10780	4.3
157.08717	3.1
183.10182	0.6
199.09813	0.6
201.07829	3.8
201.11349	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	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01384	6.4
69.05461	0.2
87.04494	0.4
95.51866	0.3
103.48040	0.3
113.66255	0.3
125.09680	0.3
137.09807	0.3
139.11278	1.9
155.14432	5.9
183.10326	0.6
183.13930	2.4
186.42433	0.3
199.13390	0.6
201.02422	0.6
201.11296	3.0
201.14978	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	202.0724
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
58.35619	0.6
59.01103	1.0
59.01387	27.4
60.01713	1.6
60.30379	0.8
63.35785	0.7
67.65052	0.7
67.72982	0.7
72.04552	24.7
73.02946	66.0
84.04539	3.0
85.09949	0.7
86.00599	0.7
100.04033	4.6
101.89481	0.7
102.05613	100.0
112.07666	1.2
114.09242	43.2
128.03540	99.5
140.07170	8.4
142.05078	0.9
146.04601	13.6
158.08226	49.1
162.47591	0.8
184.06142	26.9
202.02640	3.3
202.07213	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0714
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
50.32199	0.7
56.76789	0.6
64.02777	0.7
67.44222	0.7
69.52113	0.7
72.13513	0.8
81.03455	4.3
83.52771	0.7
92.20168	0.9
92.25352	0.7
95.68786	0.9
109.02951	4.7
118.04292	0.8
135.04510	0.8
146.03749	1.7
147.04514	0.9
147.90019	0.8
157.06589	3.5
159.04524	4.6
159.10255	4.6
160.05328	3.1
160.84843	0.8
161.06073	8.4
162.03253	0.9
171.80731	0.9
175.04018	1.5
175.07637	11.4
185.06102	6.4
185.07594	0.8
188.04768	8.7
202.06320	1.2
203.07149	100.0
203.09186	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	203.0715
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
56.08727	0.6
60.00513	0.5
69.87498	0.6
74.99033	0.7
81.03475	2.3
87.57429	0.6
95.05014	0.8
103.47053	0.6
109.02955	4.6
129.87833	0.7
133.02943	1.6
133.06581	0.8
138.82771	0.6
143.04977	1.0
145.03015	1.1
146.03738	2.8
157.06544	4.5
159.04520	4.3
159.08194	1.0
160.05302	3.2
161.06084	7.1
162.03247	0.8
175.04045	2.4
175.07642	9.3
185.06102	10.0
188.04832	5.9
202.06395	2.9
203.03461	3.1
203.07155	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	203.0715
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
57.03460	0.9
63.61782	0.6
65.67470	0.7
79.14831	0.6
81.03459	3.1
86.98521	0.5
87.95904	0.6
95.93084	0.6
108.02123	0.7
109.02929	4.9
111.88968	0.7
117.03507	0.7
117.77059	0.7
119.05064	0.9
121.02947	0.9
133.02959	0.8
133.06601	1.0
141.09236	0.7
143.04980	0.8
145.02945	1.0
146.03738	3.5
147.04552	2.3
153.04735	0.6
157.06572	4.7
157.81815	0.6
159.04507	3.5
160.05255	2.9
161.06090	7.2
162.03244	2.2
173.06058	0.8
175.03947	1.0
175.07637	10.7
181.47261	0.6
185.06064	9.6
187.04068	0.8
188.04773	7.2
202.06296	3.6
202.99846	1.4
203.03281	2.3
203.07150	100.0
213.48862	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	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.23387	0.5
59.01387	1.1
71.01385	9.5
72.00527	1.2
72.00911	22.7
74.02475	38.6
81.30537	0.7
97.06586	23.2
99.00891	0.9
112.98772	1.2
115.07635	4.5
116.05058	100.0
129.05847	1.1
130.06606	3.6
132.08185	1.3
140.98305	1.3
141.05556	3.4
142.06635	27.3
157.07722	1.0
158.01976	0.7
159.04338	1.0
159.06613	0.8
159.09286	20.6
166.94215	0.8
175.71881	0.8
181.43797	0.7
185.04558	47.2
186.05624	4.7
197.89339	0.8
203.03629	1.5
203.05576	4.0
203.08279	62.2
206.77957	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01379	1.4
59.83234	0.6
72.00907	20.7
74.02476	37.3
74.02889	1.7
90.30112	0.7
99.08194	0.8
103.47260	0.7
116.05058	100.0
130.06621	3.0
136.92934	0.8
142.06625	32.5
159.09285	18.5
186.05620	6.0
203.08290	69.6
203.72868	0.7
212.12000	0.8
221.72678	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	204.0302
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
53.10160	0.1
59.03402	0.2
73.10773	0.2
88.17279	0.2
118.02977	1.0
131.03764	0.8
132.04556	3.4
140.72707	0.2
159.03258	11.8
160.04039	100.0
204.01114	0.3
204.03021	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	204.1393
Annotation	Diethylpropion
Peak:m/z	Relative Intensity
57.34072	1.1
68.17439	1.1
90.93491	1.5
107.48717	1.2
119.05056	1.5
132.04550	2.7
204.13940	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03452	0.7
59.01385	3.1
67.01884	3.3
70.23427	0.3
71.01376	2.4
71.05043	0.5
72.99308	10.9
73.02943	5.1
75.00866	0.8
79.73953	0.4
81.03493	0.4
83.01389	2.1
83.05038	0.8
85.02939	4.1
87.00871	31.6
99.00865	2.8
99.04529	2.9
101.02431	3.3
111.00874	100.0
115.00380	3.2
115.03993	2.0
125.02425	6.7
125.06096	0.8
127.03975	0.9
129.01959	2.2
143.03491	10.6
145.01477	0.7
145.05064	1.5
154.99858	6.1
161.02425	0.5
173.00940	4.1
187.02539	0.6
187.06117	0.6
205.03510	3.7
205.05254	0.5
205.07153	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	205.087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94338	0.3
84.75376	0.3
117.03473	0.4
145.02945	16.3
146.03818	1.2
158.48434	0.3
159.04478	2.2
160.05330	0.6
161.02379	0.4
161.06050	0.7
161.09779	0.7
161.92404	0.3
162.89359	0.4
164.84082	0.5
190.06371	100.0
203.07202	0.4
205.01413	0.8
205.05095	0.7
205.08693	16.2
205.10579	0.6
205.12276	0.8
213.67946	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	205.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43230	0.4
83.05040	0.8
90.33217	0.4
93.03469	0.5
133.02917	0.6
143.80663	0.4
157.42877	0.5
163.11328	7.0
175.07683	0.8
177.01974	2.1
177.10056	0.4
179.95975	0.5
181.68410	0.4
187.11339	3.1
189.09241	2.2
190.10011	10.3
205.01462	3.7
205.12347	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	205.1234
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
57.03460	0.5
59.01400	0.7
59.21604	0.6
65.29422	0.5
65.87455	0.5
78.61130	0.5
79.05537	0.5
83.05025	0.8
86.28197	0.7
102.26462	0.5
109.06580	0.9
111.04551	0.5
127.19771	0.6
147.08151	3.3
161.09634	1.2
163.11316	1.2
171.08145	1.1
172.09033	0.8
175.07620	0.6
186.06828	0.6
187.11298	5.5
189.09221	2.1
190.10022	3.1
190.74603	0.4
191.00134	0.6
205.01414	0.6
205.12349	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	205.1234
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
56.38803	0.5
91.32559	0.6
92.19986	0.9
109.06586	0.6
121.06639	0.8
128.96341	0.6
149.06032	0.9
161.09752	9.2
163.11287	2.3
175.11285	3.1
175.92314	0.7
177.12856	7.7
187.11324	3.2
205.12349	100.0
205.16060	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	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.25216	0.3
51.71519	0.3
57.52377	0.3
61.33910	0.3
74.15770	0.3
80.05064	0.3
80.70103	0.3
121.05186	1.8
162.89348	0.4
189.12903	0.4
205.15985	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	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.64626	0.2
58.22584	0.3
59.01366	0.5
62.06028	0.3
67.58563	0.4
81.39000	0.3
157.10219	0.7
162.89412	0.4
189.12903	1.5
205.05083	0.6
205.15985	100.0
217.01247	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	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46662	0.6
53.07550	0.8
53.13943	0.7
58.02979	23.3
70.02974	9.7
72.00909	2.0
73.01170	0.7
91.05525	25.5
95.24344	1.1
142.44395	0.8
147.04526	31.6
164.07172	100.0
178.12689	0.9
206.08246	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91120	0.7
58.02979	71.1
59.01376	1.9
64.92577	0.7
70.02970	9.0
72.00903	1.7
91.05525	20.1
103.05548	0.8
113.80209	1.0
133.37617	0.9
147.04517	29.1
164.07173	100.0
206.08237	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.03
Annotation	Fraxetin
Peak:m/z	Relative Intensity
52.39222	0.4
57.16146	0.6
59.01373	0.9
60.96194	0.6
69.00285	0.5
72.18803	0.6
88.70164	0.6
89.06198	0.6
93.03461	11.3
107.05045	0.9
108.02151	2.3
109.02949	100.0
132.53020	0.6
133.02931	0.9
135.04523	26.6
137.02441	0.7
152.01141	5.2
153.01935	92.3
161.02475	0.6
163.04037	5.9
177.01901	1.0
179.03488	11.7
207.02994	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	207.0512
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
52.85891	1.6
55.01877	4.4
57.03446	3.4
58.00598	3.9
59.01389	34.3
61.98833	8.7
64.64280	1.6
69.03434	8.4
70.22171	2.0
71.01389	47.8
72.99310	94.4
73.02953	22.7
75.00880	3.4
78.95907	10.1
83.01378	11.5
83.72990	1.8
85.02956	60.3
87.00878	79.8
89.02451	20.0
95.01394	24.9
95.04353	1.8
96.16749	1.6
96.62717	2.0
99.00871	4.7
101.02436	7.7
108.90221	13.7
110.69670	1.7
112.01659	2.6
113.02453	34.6
115.00360	22.2
117.01942	62.7
129.01956	9.8
132.88632	2.1
133.01421	7.3
148.86287	2.3
157.01379	3.3
170.89417	21.5
171.03041	4.7
178.98679	2.7
188.85942	12.2
188.90425	2.4
188.98170	2.2
189.04025	19.6
207.03127	3.3
207.05113	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	207.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99586	1.0
59.01390	9.5
63.04193	0.8
69.30120	1.1
81.03490	8.3
81.03889	1.1
81.07070	1.6
93.03460	53.8
94.04256	1.1
95.05035	15.6
102.22620	1.0
107.05030	14.7
109.06564	2.0
120.05798	1.3
121.06596	1.7
121.10227	1.1
135.04491	4.3
148.08994	1.3
161.09772	1.4
163.11298	100.0
207.06583	1.5
207.10280	27.8
213.50838	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	207.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35440	1.0
57.15946	1.0
59.01378	6.0
65.81861	1.2
81.03471	4.9
90.45372	1.3
93.03449	50.8
95.05029	17.1
95.56930	1.3
107.05017	15.1
109.06608	1.5
121.06545	2.4
135.04543	6.7
145.10251	2.5
163.11288	100.0
207.10277	26.0
207.13898	45.2
215.43686	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	207.139
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
57.03445	3.9
59.01393	1.8
60.59424	0.9
71.05012	2.2
72.99309	1.4
74.97549	1.1
81.03477	4.1
85.02934	1.8
85.06631	1.1
95.01382	1.0
97.06583	5.1
107.05011	6.8
109.06566	8.7
113.19873	1.2
119.05016	5.2
135.04509	1.3
135.08148	2.1
137.06061	1.8
137.09686	1.9
149.09723	4.0
151.11299	34.6
158.91595	1.0
163.03986	6.1
163.11264	4.2
165.12848	1.6
205.12350	5.8
207.03040	3.9
207.13916	100.0
218.12003	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	207.1391
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
Peak:m/z	Relative Intensity
50.48942	0.4
59.01361	0.5
60.92427	0.5
62.75665	0.4
73.92457	0.5
81.34739	0.5
86.01107	0.5
92.19399	0.6
107.79398	0.5
143.56432	0.5
145.50912	0.5
152.11131	0.7
157.36429	0.5
207.13911	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	207.1755
Annotation	6,10-dimethyl-9-methylene-5E-undecen-2-one
Peak:m/z	Relative Intensity
57.03433	1.4
64.46613	0.7
73.24167	0.7
80.52211	0.7
83.05035	1.3
85.61995	0.9
90.67937	0.7
91.13838	0.7
93.36377	0.7
111.10110	0.7
131.76910	0.7
135.04538	0.9
163.11287	1.2
172.18312	0.8
179.14482	1.7
191.14407	6.2
205.15993	37.4
207.17563	100.0
223.68747	0.8
225.18636	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	208.0615
Annotation	N-Benzyloxycarbonylglycine
Peak:m/z	Relative Intensity
53.69033	0.9
57.20876	0.9
72.99305	100.0
92.20184	1.1
101.42044	0.9
104.05049	1.4
118.06621	20.1
119.04989	8.2
124.08565	1.2
132.04506	9.0
134.06108	22.1
144.04541	7.5
146.06108	8.6
162.05602	78.5
180.06471	1.2
190.05124	21.2
208.06152	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0979
Annotation	Anhalamine
Peak:m/z	Relative Intensity
62.88784	0.6
72.99304	100.0
73.33517	0.7
85.18808	0.7
88.20049	0.9
99.26563	0.7
101.03963	0.8
119.05018	3.6
160.37596	0.7
162.05612	3.7
162.09238	7.1
190.08734	31.5
199.74112	0.8
203.12331	0.7
208.03320	1.4
208.06288	4.4
208.09792	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0978
Annotation	Anhalamine
Peak:m/z	Relative Intensity
66.89495	0.8
67.29588	0.8
72.99306	100.0
74.00072	1.4
89.12807	0.8
90.25993	0.8
91.50189	0.9
103.02586	0.8
119.04990	4.7
162.09251	8.1
165.18280	0.8
190.06944	1.0
190.08737	35.8
208.09789	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56106	0.5
60.34228	0.6
69.26811	0.5
71.56877	0.5
85.02947	1.0
87.00854	2.2
92.08250	0.5
99.00901	0.9
109.02940	7.4
121.02909	0.6
123.66399	0.6
126.55326	0.6
129.01973	0.9
137.02428	3.2
149.02463	1.2
150.03226	100.0
153.01920	11.9
155.03438	0.8
165.05565	10.3
166.02760	1.0
194.02213	67.7
204.62469	0.6
209.04588	20.0
209.06505	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	209.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42718	1.7
59.77869	1.7
62.65351	1.6
73.02950	2.7
81.03440	15.0
83.01388	7.1
84.41386	2.1
87.00864	2.7
95.05030	38.5
97.02964	1.8
99.04533	4.6
107.04348	2.1
121.02912	4.6
122.03787	6.3
123.04523	26.6
125.02440	40.7
137.06082	53.3
139.04044	4.4
165.05524	15.5
166.02815	2.2
167.03496	59.7
181.05087	7.2
194.02296	3.1
200.11017	1.9
209.04575	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	209.0456
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
59.10046	0.3
62.58135	0.4
80.21785	0.4
102.37923	0.4
119.05026	0.9
121.02956	2.5
123.04512	14.1
135.04538	2.2
137.02432	0.7
145.02959	1.0
147.04544	1.8
149.02448	1.9
162.03267	4.2
162.92874	0.4
163.04012	17.4
165.01936	2.6
165.05536	0.6
173.02464	3.8
174.03180	0.5
189.01949	1.0
190.02769	0.9
191.03519	100.0
204.17307	0.5
209.04568	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Anserinone B
Peak:m/z	Relative Intensity
53.03870	0.3
54.45042	0.2
72.99310	1.1
73.02943	1.2
87.00880	0.4
88.24568	0.2
90.75615	0.3
91.05527	100.0
98.91650	0.3
102.18894	0.3
113.57884	0.3
117.01958	1.3
117.03442	1.3
119.04993	1.2
120.02219	0.5
121.02950	11.8
135.04512	1.6
140.08844	0.3
147.04515	9.4
150.03302	0.3
155.47397	0.3
163.04016	2.9
163.07671	0.7
165.05569	13.4
191.07143	1.9
194.97536	0.3
209.04779	1.0
209.08192	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
50.12235	1.0
50.47686	0.8
51.30497	0.7
52.50963	0.8
53.28815	0.8
59.01377	1.1
64.59550	0.8
66.39252	0.9
67.92510	0.8
91.01910	1.3
93.03456	11.4
105.96782	0.9
107.05002	2.2
108.02161	10.8
109.02922	2.1
117.03513	1.1
119.05050	8.4
120.02182	1.2
121.02953	23.5
123.04555	9.4
125.06085	1.9
127.11008	0.9
133.06598	100.0
135.04526	22.3
137.02449	1.0
137.06071	1.4
150.06856	26.4
150.07973	1.8
151.04024	4.8
153.05547	2.0
165.09163	4.1
209.04726	2.2
209.08191	69.6
209.15469	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	209.082
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
57.03455	98.6
59.33644	0.5
68.51251	0.6
78.95879	1.0
81.03439	0.7
93.03441	2.5
106.74240	0.6
107.05041	0.8
107.09914	0.6
108.02177	0.9
113.44321	0.7
120.05791	1.2
121.02964	14.5
123.00886	1.0
123.04507	4.1
125.02450	2.2
133.06610	11.4
135.04547	5.3
139.04027	2.7
150.06870	30.7
153.05638	4.6
161.80807	0.7
164.04840	0.8
165.05592	2.6
165.09200	7.9
166.06354	2.3
167.03502	3.3
209.04668	2.8
209.08202	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03458	1.8
59.01386	100.0
59.07767	0.8
66.85680	0.6
81.03480	1.3
81.42277	0.7
97.06580	4.7
109.06577	1.7
110.67826	0.9
121.02966	11.4
143.24312	0.9
165.12833	4.9
209.04565	0.9
209.11826	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	209.1185
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.19039	1.8
61.91891	2.2
63.78874	1.8
71.73037	2.0
81.93141	2.1
85.28636	2.0
91.05518	14.3
95.05017	49.5
97.06585	8.6
120.02162	2.1
121.02954	52.1
131.14191	2.5
144.28725	2.1
145.21794	2.1
147.11833	33.2
165.12849	100.0
175.60123	2.3
187.80725	2.1
209.04565	2.7
209.08298	3.8
209.10027	3.4
209.11824	51.1
224.71838	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	210.0698
Annotation	Propachlor
Peak:m/z	Relative Intensity
50.54480	1.1
50.64889	1.1
50.65247	1.1
57.03457	14.3
58.03791	11.1
58.59954	1.2
59.01382	27.4
60.01705	10.3
65.12896	1.2
67.69537	1.3
71.01376	13.3
72.01721	8.1
73.02927	1.9
73.99618	1.6
83.01373	3.1
84.01724	6.4
85.02459	1.8
85.02946	28.3
86.03281	37.3
87.00872	71.8
88.01209	53.9
88.04912	1.5
88.94476	1.3
89.02431	12.4
90.02785	5.5
96.95984	2.8
98.03313	1.4
99.00887	13.8
100.01202	17.3
102.02792	1.5
104.88631	1.6
115.03975	5.2
116.04315	11.5
129.01938	24.5
130.02280	58.4
142.02295	1.2
150.12706	1.2
159.02919	1.3
160.03293	13.2
165.65709	1.5
174.04776	1.3
178.04448	1.6
179.72217	1.2
210.07018	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	210.0924
Annotation	Murrayafolin A
Peak:m/z	Relative Intensity
53.65479	1.4
56.32821	1.6
68.29411	1.4
71.66159	1.5
74.68949	1.6
80.95596	1.5
84.09035	1.6
92.20142	5.2
104.05059	2.6
121.02917	2.2
122.03288	2.8
132.04538	4.0
151.71967	1.8
210.07265	4.1
210.09253	100.0
210.14877	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	210.0924
Annotation	Murrayafolin A
Peak:m/z	Relative Intensity
78.78772	1.8
104.05067	4.2
108.90723	1.7
184.60590	1.9
210.09264	100.0
221.03645	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	211.025
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
63.68721	0.4
72.99299	0.6
82.00610	0.7
83.01397	0.4
86.29076	0.4
95.01396	0.4
110.00068	0.4
111.00885	4.1
119.11199	0.4
123.00883	1.8
124.01662	32.4
127.00361	2.0
136.98819	2.6
139.00375	10.4
140.01164	19.8
140.01987	0.4
151.00363	0.7
152.01157	18.7
153.01947	0.4
167.03548	0.6
168.00656	1.5
169.40472	0.3
183.03006	4.7
198.38138	0.4
206.15990	0.4
211.02496	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	211.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70743	0.8
54.30131	0.8
58.79763	0.9
59.01384	5.5
67.01889	1.2
69.03452	2.1
74.60316	0.9
79.05534	1.5
81.03458	11.0
93.03477	1.0
95.01381	4.9
95.05021	12.4
97.02944	13.6
97.06591	1.2
109.02972	1.9
109.55792	1.0
117.31430	1.0
121.02966	1.3
122.03738	4.5
123.04514	100.0
125.06084	5.9
134.03758	2.3
136.01660	13.7
139.04050	1.1
149.06087	2.0
151.04013	24.2
163.03995	1.9
167.07124	69.9
178.17390	0.9
182.99232	1.1
195.13632	1.0
211.06042	4.7
211.07753	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	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22863	0.9
57.39808	0.7
59.01387	4.1
68.00854	1.0
81.03476	4.1
83.87856	0.9
84.70316	0.8
93.03435	1.2
96.96001	5.0
97.02930	1.0
107.01378	1.4
107.05051	1.5
108.02166	6.5
109.02946	7.8
120.02177	4.3
122.03718	1.0
123.00817	1.4
123.04517	25.1
123.08162	11.4
125.02458	1.7
132.37973	1.0
135.00880	2.1
135.04509	1.2
136.01663	3.8
137.02473	0.9
139.04018	1.3
148.00475	2.3
148.01671	68.0
149.02448	6.2
149.06114	1.1
151.04001	7.5
152.01192	7.4
153.01974	8.6
153.05568	77.9
163.04015	95.0
165.01942	1.2
166.02658	9.4
167.03499	23.0
167.07126	11.1
178.99817	7.3
181.05072	100.0
193.01413	9.9
193.05035	1.2
196.03772	7.2
211.02573	17.7
211.06108	33.0
211.07703	2.4
211.09567	1.4
211.13350	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	211.0977
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
50.84848	1.7
54.86686	2.0
61.89677	2.4
74.58675	2.2
86.73964	2.2
92.19446	4.8
98.27341	2.4
131.93423	2.5
167.10777	100.0
211.09679	19.8
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
54.12907	0.6
57.46886	0.4
66.13669	0.5
70.05447	0.5
70.82631	0.5
80.50544	0.5
83.05081	0.8
86.89991	0.5
155.10823	0.8
167.14368	1.0
183.13896	16.3
193.12337	3.6
211.13406	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23215	0.4
50.34412	0.4
54.13095	0.4
55.81491	0.4
56.87410	0.4
60.22980	0.4
71.10014	0.4
72.55780	0.4
75.93614	0.4
91.28898	0.5
96.42690	0.5
167.14421	1.0
183.13910	17.9
193.12335	4.3
205.05652	0.5
208.50984	0.6
211.13412	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
66.90792	1.3
67.14228	1.3
84.02948	1.3
89.70478	1.3
90.04300	1.5
125.09740	2.6
130.65041	1.6
167.14348	12.7
175.19199	1.4
183.13895	1.6
211.13419	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01374	3.3
64.48237	1.4
69.69505	1.4
99.37373	1.6
101.77831	1.7
115.44436	1.7
166.93884	2.0
167.10577	1.6
167.14375	2.3
183.13885	18.4
184.06325	3.0
193.12393	3.5
211.13412	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.29655	0.5
54.83097	0.4
59.08583	0.4
68.04920	0.5
69.57122	0.5
119.42994	0.7
167.10789	0.8
167.14447	1.3
173.22534	0.5
183.13904	16.6
193.10355	0.5
193.12321	3.1
211.13405	100.0
212.25128	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	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
70.09232	0.4
78.36673	0.5
78.89863	0.6
167.14410	1.0
183.13879	15.7
193.12263	3.9
196.62389	0.5
211.13399	100.0
217.48984	0.6
217.60236	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	213.077
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
53.54590	0.7
53.73911	0.5
56.03830	0.6
57.03450	1.0
59.01393	0.6
61.21532	0.6
62.83961	0.7
65.03978	1.1
66.52063	0.7
79.95766	0.9
81.03453	2.9
81.07098	65.0
97.02924	0.7
109.02910	1.1
125.02443	1.3
125.05157	0.9
125.06079	25.7
125.09729	1.5
137.02527	1.0
143.87749	0.7
151.07652	3.0
169.08702	100.0
213.07738	9.6
213.14908	0.7
213.18611	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	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
52.35734	0.4
61.21838	0.4
67.82338	0.5
73.34693	0.5
76.98340	0.6
110.62140	0.6
118.92380	0.8
121.36337	0.5
127.47367	0.5
141.25620	0.5
151.11275	13.0
157.47942	0.6
169.12338	100.0
195.10216	1.0
213.11322	16.6
213.15012	0.8
213.18567	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
51.01432	1.1
54.98730	1.1
56.38768	1.0
57.03450	1.2
59.01382	3.0
65.23036	1.1
83.05023	21.0
95.04988	2.7
97.06590	13.4
103.49844	1.4
149.09737	7.2
151.11281	54.4
169.12329	25.9
179.64006	1.4
182.55539	1.3
195.10269	55.1
195.12094	1.8
213.01979	3.0
213.11339	100.0
213.14679	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	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.41946	1.3
55.16003	1.1
66.37668	1.1
69.03449	2.8
92.19459	2.6
102.17944	1.4
113.02449	66.6
127.84327	1.3
169.12341	100.0
194.99350	1.9
206.57956	1.3
213.11313	37.4
213.14957	6.4
232.10457	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
60.98933	0.4
62.68170	0.4
65.79196	0.4
67.90563	0.3
71.05017	2.6
80.17220	0.4
90.17426	0.4
91.01878	0.5
127.11295	0.6
135.00880	1.0
153.01939	0.5
164.53976	0.4
167.14482	0.6
169.12325	2.5
169.15953	0.9
195.13878	3.0
213.05603	6.5
213.14980	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03447	4.8
67.40498	0.6
73.02931	0.8
73.82224	0.6
75.46711	0.9
83.01367	1.0
101.02443	69.9
118.92365	0.8
128.95361	0.8
149.13377	1.1
165.97496	0.7
167.14403	3.9
169.12361	0.8
169.15956	1.4
177.12901	1.2
195.13927	15.6
211.13388	1.7
213.14980	100.0
234.04156	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	215.0716
Annotation	3-Methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.92112	0.5
56.20630	0.6
59.01361	0.6
59.32130	0.6
64.40387	0.5
69.14072	0.6
74.48096	0.6
80.17359	0.5
94.93925	0.7
110.52915	0.6
111.04420	0.6
153.09218	1.0
153.15994	0.6
156.05794	9.5
157.00581	0.7
159.04518	10.8
171.08160	100.0
187.03975	0.8
189.09224	53.5
200.01149	0.9
215.01044	16.2
215.03552	2.6
215.07170	43.3
215.09085	2.5
215.12914	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	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.64931	0.2
55.35770	0.2
57.03443	0.6
59.01387	0.4
60.04727	0.3
64.69714	0.2
65.57017	0.3
71.01372	0.3
73.56190	0.3
89.02479	0.3
92.03066	0.3
92.20127	0.5
96.94437	0.3
100.00407	0.3
106.34962	0.2
108.45589	0.4
131.96596	0.3
132.72864	0.3
139.11308	3.7
162.20343	0.2
169.15988	2.9
183.10231	2.2
197.15453	1.8
199.17485	0.3
202.91785	0.3
213.14990	2.0
215.01018	7.4
215.16522	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	216.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72551	0.7
58.02977	0.8
60.42420	0.7
61.09521	0.6
61.27784	0.7
71.01374	1.1
72.99303	5.3
73.02947	100.0
100.00420	13.0
154.12381	1.4
155.10777	3.2
189.07693	44.8
198.11354	3.4
216.01280	2.8
216.12425	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	216.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48931	0.4
71.01375	2.1
72.99313	3.1
73.02947	100.0
73.94017	0.5
89.44160	0.5
93.90616	0.5
95.67477	0.5
100.00401	8.1
114.25967	0.6
127.07648	0.8
133.23431	0.5
180.45763	0.5
189.07698	39.4
216.01360	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	216.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04017	0.5
67.42133	0.5
71.01392	2.2
72.99317	5.1
73.02944	100.0
90.29219	0.5
100.00404	12.9
120.10076	0.6
127.07643	0.8
169.87230	0.6
189.07686	55.1
216.01122	1.0
223.82857	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.76883	0.5
81.24464	0.5
98.16053	0.5
114.98875	3.7
117.00423	0.8
121.18333	0.6
132.98184	2.4
149.00185	2.2
156.99924	10.4
172.79611	0.6
174.99252	48.2
217.00327	26.4
231.32860	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	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
53.74778	0.4
56.93896	0.5
59.01382	7.1
62.11903	0.5
73.02944	23.0
75.70946	0.5
75.98842	0.5
80.18858	0.6
97.06594	9.1
125.06062	8.5
139.07648	5.5
142.80785	0.5
143.07143	100.0
155.10777	26.5
157.08705	44.1
157.09796	0.9
157.10014	1.2
181.08607	0.7
194.90457	0.7
199.09764	4.4
216.04210	2.3
217.05064	12.3
217.10782	33.8
222.11136	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	217.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49193	0.4
57.04498	0.4
61.43719	0.4
73.02945	23.2
86.92088	0.5
91.10217	0.5
92.19523	0.7
96.83089	0.4
97.06570	4.9
99.08134	0.6
125.06082	10.0
137.09753	0.5
143.07135	100.0
155.10780	27.8
157.08632	0.9
199.09747	2.6
217.10809	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1233
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
53.75264	0.9
57.03443	6.9
64.97193	1.0
70.67789	0.9
87.48103	1.0
121.06640	1.7
123.08152	6.2
127.61877	1.0
147.08124	2.2
159.08217	1.1
162.06790	1.2
171.11800	2.4
173.09714	4.7
175.11256	6.0
184.08922	16.3
187.11305	2.1
189.09227	1.8
189.12852	17.2
193.66768	1.0
199.11285	11.8
201.09245	7.3
202.10062	10.8
215.10799	24.7
217.12332	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	217.1234
Annotation	3-Hydroxy-14-nor-10-calamenenone
Peak:m/z	Relative Intensity
50.37879	0.5
51.14159	0.5
51.14375	0.6
54.43724	0.7
55.00006	0.5
59.01385	7.1
60.03247	0.5
64.42007	0.6
69.87022	0.6
71.96130	0.5
79.14201	0.6
87.96133	0.6
92.84072	0.6
138.63895	0.6
147.08171	2.3
149.09773	2.2
171.11795	3.5
173.09697	4.0
173.13359	18.6
174.99225	3.4
175.11198	1.1
187.11292	16.6
187.12822	1.0
199.95418	0.6
217.00356	1.0
217.12344	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	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.08256	0.5
50.15341	0.7
58.18496	0.6
61.55283	0.6
71.01390	10.3
71.05018	11.0
85.89861	0.7
88.04037	100.0
99.04502	3.3
113.71253	0.7
116.07185	1.2
120.40310	0.7
129.05533	0.7
136.17995	0.7
146.08237	65.1
172.34151	0.8
218.05722	1.3
218.10349	28.6
231.31929	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	219.0298
Annotation	6,7-Methylenedioxy-8-methoxycoumarin
Peak:m/z	Relative Intensity
55.02950	0.2
56.02485	0.2
59.01362	0.3
65.00330	0.4
67.82865	0.3
73.03503	0.3
75.00866	0.3
83.01414	0.3
83.05035	0.6
85.05918	0.3
88.28362	0.3
89.03969	0.7
91.01941	0.3
93.03469	0.3
105.03477	0.4
107.05028	1.2
109.02921	1.3
119.05024	0.7
130.04195	0.4
131.05014	5.2
133.02954	6.4
133.10202	0.3
134.26665	0.4
135.04517	1.8
145.06561	0.3
147.04488	0.4
148.01688	0.5
149.00113	0.5
149.02444	0.5
151.03987	2.8
160.01712	0.4
160.08923	6.5
171.00629	0.4
173.04526	0.3
173.09708	0.7
175.03996	23.7
175.11232	2.6
176.01106	0.7
177.01932	18.0
191.01291	1.4
191.03534	0.5
199.00092	1.1
204.04248	0.7
219.02986	100.0
219.10092	2.2
219.13873	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	219.0662
Annotation	6,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
59.01388	29.5
65.52557	1.0
70.82579	0.9
85.49142	1.0
117.07085	1.3
132.02197	7.5
133.78403	1.1
143.05035	6.1
145.02928	4.6
145.06580	1.4
146.03741	4.2
147.04546	8.3
148.01682	6.9
149.02455	5.7
159.04515	100.0
160.05307	57.5
161.02444	1.4
171.00653	4.0
174.03230	6.8
175.03999	26.6
175.07632	25.2
175.11226	1.0
191.01149	2.0
191.03688	1.6
199.00157	1.6
217.01532	1.1
217.71436	1.0
219.00931	2.2
219.03001	7.0
219.06630	41.6
219.10091	2.1
219.13913	2.1
223.29297	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	219.0662
Annotation	Hispolon
Peak:m/z	Relative Intensity
52.63393	0.8
60.45894	0.7
62.11820	0.8
71.01386	1.6
71.05001	2.1
71.09123	0.8
73.02948	28.5
75.00861	1.4
80.53701	0.8
81.03442	1.4
82.18129	0.8
83.01363	1.6
85.02952	1.1
87.00882	4.5
88.04041	9.7
89.04377	4.4
92.19408	3.1
95.09434	0.9
97.02943	7.7
99.04490	1.1
111.00887	12.4
112.98847	1.8
115.04034	7.3
116.88388	0.9
121.06557	1.2
124.01677	4.6
125.02450	17.6
133.06616	1.3
135.04500	1.0
137.02454	5.5
143.03503	4.8
145.01445	6.3
146.08244	1.7
147.04570	1.8
147.08549	5.7
148.05377	1.0
149.06093	12.0
157.43210	0.8
158.03639	0.9
159.04514	8.8
161.02428	4.4
162.03212	5.0
163.07722	1.2
169.01430	11.6
171.00633	4.4
173.06102	4.0
175.04008	4.8
175.07521	1.0
176.04889	1.2
177.01945	2.0
177.05562	25.9
191.01266	3.7
191.03464	4.4
191.07138	4.9
199.00113	5.1
201.05661	6.7
219.03107	3.8
219.06635	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	219.1026
Annotation	Precocene II
Peak:m/z	Relative Intensity
51.69800	0.5
53.21311	0.4
56.54252	0.5
59.01389	0.6
84.64427	0.5
92.02688	3.2
93.03452	71.9
108.02156	0.7
124.92862	0.6
136.01672	4.8
136.70273	0.5
137.02443	100.0
147.04538	0.8
161.06212	0.8
171.00665	0.8
176.08469	1.2
191.01349	1.9
193.19246	0.5
199.00055	1.4
204.07918	1.3
219.00710	0.9
219.10262	61.5
221.94283	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	219.1389
Annotation	Oblongolide
Peak:m/z	Relative Intensity
57.91728	0.6
63.07235	0.5
67.61484	0.5
80.88225	0.6
84.21698	0.6
85.52477	0.5
111.04525	3.0
115.65226	0.6
125.06070	1.0
125.09707	0.7
129.22368	0.5
138.98788	0.8
148.05301	1.1
161.09708	3.5
163.07657	3.3
186.10617	0.8
201.12856	12.7
203.10738	3.1
204.11571	31.7
219.13902	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	219.139
Annotation	Glutinosone
Peak:m/z	Relative Intensity
54.57250	0.6
60.12907	0.7
62.09773	0.7
67.33030	0.7
99.44787	0.8
146.14038	0.7
157.10207	4.7
203.10805	14.2
218.26085	0.8
219.13907	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	219.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.6
61.28825	1.1
63.02181	1.4
82.58392	1.4
93.03471	1.3
120.05795	6.8
135.04518	7.0
135.08151	10.9
137.09656	10.6
139.91391	1.2
145.06621	2.1
149.09706	8.6
160.08928	18.1
161.09717	10.1
163.07661	10.2
175.04039	1.5
175.11279	2.3
177.12839	22.5
185.09732	2.1
186.10577	1.7
189.12859	76.9
191.01270	3.3
191.14442	6.2
201.12892	30.6
204.04411	1.6
204.11537	21.7
219.13893	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	219.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68343	0.7
69.03448	5.9
79.95297	0.9
81.44689	0.9
84.75653	0.8
92.20043	1.1
95.76199	0.8
97.02936	12.5
109.06586	3.5
110.30433	0.8
137.06052	5.9
171.11775	1.4
173.09695	1.1
175.07599	1.0
175.11275	14.1
183.31604	0.8
189.12881	19.5
191.14426	4.0
201.12825	4.7
203.10860	9.3
204.11600	1.0
219.13910	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	219.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.7
59.61743	1.6
69.03425	1.5
101.32108	1.9
120.05804	7.3
128.54367	1.6
135.04523	16.1
135.08157	11.4
137.09727	9.7
145.06671	3.1
149.09732	9.4
160.08937	23.3
161.02408	2.3
161.09714	10.9
163.07542	5.1
171.00616	2.4
175.03978	2.4
175.11345	3.0
177.12846	23.4
183.15373	1.8
189.12862	82.0
191.01335	6.1
191.14455	7.0
199.00159	7.3
201.12836	26.9
204.11563	20.5
219.00775	3.0
219.02916	3.0
219.04810	2.2
219.06699	2.9
219.13905	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	219.139
Annotation	Glutinosone
Peak:m/z	Relative Intensity
52.81563	0.5
62.56961	0.5
72.99297	1.0
86.45835	0.5
102.61976	0.6
111.04512	3.0
112.27534	0.6
114.63528	0.6
118.52844	0.5
119.04977	0.6
125.06044	1.1
137.09714	0.6
149.06110	0.7
161.09697	2.6
163.07649	3.2
164.08342	0.6
171.00645	1.1
173.04440	0.6
175.07622	1.2
186.10471	1.0
188.08318	0.7
189.09203	1.0
191.01299	2.1
199.00186	1.2
201.12813	10.9
203.10751	3.3
204.11560	28.5
219.13896	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	219.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.37296	0.6
73.64437	0.6
83.05051	2.3
85.06600	1.5
91.05508	0.8
97.06596	10.3
99.08153	1.6
119.05025	4.0
121.06590	37.5
133.06624	0.9
137.09703	2.5
137.86961	0.6
147.08121	0.9
154.07352	0.8
157.10211	0.9
163.11316	1.0
168.80588	0.7
170.76508	0.9
171.00687	1.5
173.09669	1.4
175.11247	0.8
177.13019	0.8
185.09772	2.5
189.12808	0.7
201.12837	1.0
203.10796	1.5
219.03186	0.7
219.13910	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	221.0304
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
51.08929	2.7
55.01879	29.6
59.01384	100.0
71.01385	14.2
72.99302	16.4
73.02942	45.8
78.09629	2.9
78.46243	3.2
83.01392	89.5
89.02454	3.0
93.21807	2.8
99.00889	30.7
101.02446	35.4
103.00378	14.3
117.01904	18.1
127.00330	4.4
133.02937	7.6
135.04515	6.2
159.03008	12.7
161.04538	4.2
162.02863	2.9
177.01944	20.5
177.05559	6.9
178.98523	7.3
206.09480	3.7
220.99519	4.7
221.02783	5.7
221.06512	5.0
221.11761	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	221.0456
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
52.16020	0.2
55.01883	6.3
59.01379	3.2
73.02951	0.3
91.07013	0.3
101.02412	0.4
106.96833	0.3
115.05524	0.4
131.05017	7.8
133.06593	100.0
137.02449	0.3
159.04517	10.2
161.04654	0.3
167.07129	3.2
177.01981	0.3
177.05560	3.4
179.10901	0.6
193.08626	0.3
193.77959	0.3
203.03535	2.6
206.09499	0.6
221.04604	5.2
221.08237	1.2
221.11754	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	221.0818
Annotation	2,4,5-Trimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.13250	0.5
53.36675	0.5
53.49342	0.7
59.01383	2.6
64.08457	0.5
67.53127	0.5
80.37624	0.5
80.59425	0.5
81.44247	0.6
82.41110	0.6
122.03742	3.7
123.04621	0.6
166.06346	2.2
167.07137	100.0
193.08722	17.1
221.08174	10.1
221.11745	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	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
57.50294	1.0
59.01381	11.7
69.03454	44.2
71.05020	100.0
73.02930	1.6
77.77398	1.1
78.05247	1.0
98.87269	1.3
101.02454	1.1
104.12762	1.1
107.05051	1.6
110.09081	1.1
121.02949	49.4
128.11186	1.4
134.03732	23.0
147.00858	20.1
147.08141	5.6
149.02538	1.1
149.09709	15.1
174.61975	1.3
177.09235	16.2
178.98503	1.6
197.66936	1.1
221.08208	31.6
221.11697	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	221.0819
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
57.74150	1.1
59.01381	1.3
73.03838	1.3
81.03448	1.4
83.08215	1.2
93.03472	1.5
95.05037	1.6
97.02947	5.3
109.02941	21.0
117.03395	1.2
121.02964	1.9
122.03751	9.5
123.04520	100.0
132.31908	1.2
135.04515	1.8
145.02979	4.4
147.59171	1.2
150.03181	8.1
151.03978	12.7
160.36009	1.2
163.03987	7.5
177.02032	1.3
179.01106	1.1
185.14702	1.4
203.07130	6.1
221.08194	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0819
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
54.75457	0.7
57.03445	1.1
58.45643	0.8
59.01384	1.7
63.07046	0.8
69.95374	0.9
72.22124	0.9
74.64941	0.9
76.89496	1.0
83.01398	1.3
83.05011	1.0
95.05005	1.6
97.02938	5.6
103.70984	0.9
107.05061	1.3
108.02168	1.4
109.02947	24.7
117.03450	1.1
119.05119	1.1
121.02953	2.2
122.03718	6.4
123.04517	86.2
125.02428	1.3
132.38806	0.9
133.02979	4.0
135.04527	2.1
137.02425	5.4
145.02948	6.7
149.02461	1.3
150.03192	9.8
151.03999	13.1
163.04025	7.2
177.01979	6.6
177.04218	1.6
177.05595	17.1
203.07140	10.8
221.00908	4.2
221.04738	23.4
221.08180	100.0
226.28557	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	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.72638	2.3
59.01383	38.4
71.05019	76.5
73.02922	4.4
73.56734	2.3
86.75082	2.5
99.47414	2.5
101.02419	4.1
107.05029	4.5
113.02393	2.9
121.02949	44.2
134.03740	100.0
135.04514	5.3
147.00871	26.2
149.09738	13.6
161.04456	2.3
177.09164	14.4
182.45857	2.7
190.99780	2.8
221.08180	40.8
221.11783	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	221.1184
Annotation	Placidene C
Peak:m/z	Relative Intensity
59.01382	4.1
74.45500	0.4
76.62222	0.4
77.50998	0.4
78.84612	0.5
92.02673	9.4
93.02895	0.9
93.03449	17.5
95.01384	3.0
108.02161	2.8
136.01663	25.5
137.02446	22.4
177.12883	0.5
202.45224	0.5
221.11833	100.0
221.15437	3.5
232.93878	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	221.1547
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.48604	1.1
59.01385	5.5
71.01381	80.8
94.04097	1.3
102.35910	1.4
111.03989	1.1
185.13327	8.5
203.14517	1.8
204.42265	1.4
219.13795	2.3
221.15486	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	221.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
78.09117	0.3
92.20124	0.4
124.73811	0.4
131.14043	0.3
137.61325	0.3
151.03954	0.3
198.84081	0.4
221.15477	100.0
235.62433	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	221.1547
Annotation	Sulcatin
Peak:m/z	Relative Intensity
50.95620	0.7
53.79217	0.7
69.03452	4.6
88.01603	0.7
88.28760	0.8
92.19438	1.0
97.02955	7.2
103.74115	0.8
113.51031	0.7
115.79762	0.7
161.09697	0.9
177.12854	14.1
191.14438	17.7
193.15990	5.5
203.14441	8.0
205.12334	10.4
206.13089	1.3
221.15474	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	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.52182	0.5
54.64012	0.5
58.40734	0.5
59.01377	3.9
61.07834	0.6
94.29221	0.8
114.95976	0.7
152.66327	0.6
219.05258	0.6
221.15465	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	221.1546
Annotation	Sulcatin
Peak:m/z	Relative Intensity
51.51536	0.7
54.16030	0.8
55.31623	0.7
59.41791	0.7
61.63984	0.7
63.26201	0.9
67.01196	0.7
67.02496	0.6
69.03457	5.3
84.02181	1.0
97.02962	6.6
100.54336	1.0
111.23839	0.8
163.11394	1.0
177.12851	11.5
191.14455	17.0
193.15985	5.0
203.14505	7.2
205.12386	7.3
206.13118	1.7
221.15472	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	221.1548
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.64621	0.3
59.01389	2.3
71.05043	0.5
73.69569	0.3
76.28821	0.3
82.13944	0.3
83.05043	0.4
85.06568	0.4
91.11299	0.3
92.19389	0.4
97.06586	1.9
99.08189	0.3
108.02143	0.5
109.03006	0.4
119.05058	0.7
121.02920	0.5
121.06608	2.4
122.03688	0.3
123.04494	0.4
123.08165	0.5
133.02983	1.7
133.06584	1.8
137.02458	0.6
145.02940	0.4
147.04547	2.6
149.02496	0.6
149.06142	0.4
161.09691	1.8
162.03209	2.6
165.01968	0.4
165.05447	0.4
165.09229	0.4
165.12842	1.6
170.05965	0.3
175.11264	0.7
177.01956	4.0
177.05566	10.4
177.09232	0.4
177.12697	1.3
178.10107	0.3
179.10776	2.3
187.11317	1.6
188.08313	0.3
191.03656	0.4
202.99876	7.0
203.10760	1.2
205.12416	1.5
206.09532	5.9
219.13873	3.2
221.00923	3.9
221.04587	5.6
221.12122	17.4
221.15477	100.0
221.97192	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	221.1548
Annotation	Sulcatin
Peak:m/z	Relative Intensity
50.31631	0.2
56.24183	0.2
56.94052	0.2
57.96509	0.2
59.01377	0.6
71.05005	0.4
81.96204	0.3
82.64993	0.3
83.05009	0.3
85.06629	0.3
96.21402	0.3
97.06596	0.7
102.93448	0.3
119.05014	0.6
137.09775	0.4
165.12860	0.4
188.83133	0.3
189.10356	0.3
191.14427	12.8
193.15918	1.1
203.14378	0.4
205.12408	0.6
219.13907	0.6
221.15480	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	222.0772
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
55.85654	1.3
57.08413	1.5
58.02981	34.7
59.01366	3.6
72.02785	1.3
72.99306	100.0
75.05646	1.4
104.05055	1.5
119.04981	12.2
127.12748	1.7
132.04543	3.3
134.06104	16.9
137.14729	1.6
141.74768	1.3
144.04550	7.7
146.06070	1.9
148.07687	26.1
162.05598	9.1
176.05724	2.7
176.07176	52.7
180.06700	35.2
180.46870	1.8
204.03801	1.8
204.06668	18.5
222.04919	15.8
222.07707	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0283
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.81805	0.8
65.73369	0.7
74.99076	6.2
82.04105	1.0
83.97122	0.7
93.00111	3.0
130.04097	2.9
140.03584	1.1
149.00960	4.0
158.04750	0.9
169.05212	0.9
181.05211	3.4
196.06306	4.6
206.99690	2.6
223.02841	100.0
223.07452	4.3
223.13397	3.3
231.50218	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	223.0283
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
57.04507	0.3
59.01371	1.5
62.39137	0.4
62.54599	0.3
74.99062	5.3
82.04103	0.4
90.15578	0.3
93.00124	2.1
106.14879	0.4
121.02965	0.4
149.00975	3.8
176.83859	0.4
181.05251	0.6
186.84409	0.4
196.06360	0.7
206.99716	2.1
223.02840	100.0
241.03886	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93518	1.0
51.83713	1.0
55.01880	2.7
57.03453	13.7
59.01382	9.5
67.01905	1.3
71.01379	11.1
72.99296	8.9
73.02934	1.1
75.00879	10.4
76.93287	1.0
78.95928	1.8
81.03459	1.7
81.30392	1.1
83.01387	2.6
84.02162	17.2
85.02950	100.0
87.00880	6.0
88.96433	1.6
89.02441	1.6
96.55306	1.2
99.00946	1.6
99.04525	11.2
101.02424	5.6
111.00896	13.9
115.00394	1.3
125.02431	14.1
128.01140	2.2
129.01945	37.4
143.03490	2.9
147.03044	9.1
161.04559	8.2
173.00880	1.7
187.02486	2.8
205.03545	28.1
209.93843	1.5
223.04579	40.7
235.55452	1.5
236.37454	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12431	0.9
50.13026	1.0
52.47149	1.2
53.27834	1.1
54.69635	1.1
55.01881	1.6
57.03453	15.4
59.01388	9.5
60.38498	1.0
70.17930	1.1
71.01385	10.6
72.99319	10.0
72.99663	1.2
73.02952	1.4
73.91321	1.1
75.00864	10.5
83.01398	4.9
84.02168	22.0
85.02951	100.0
87.00881	9.3
89.02441	6.8
99.00874	1.7
99.04510	17.5
101.02442	5.5
111.00887	18.7
114.85011	1.0
115.00362	5.2
125.02427	5.8
128.01176	8.4
129.01942	26.7
133.01440	2.3
138.47635	1.1
143.03535	7.9
147.03024	8.1
148.54698	1.0
155.36612	1.1
161.04564	13.5
162.14677	1.1
168.40166	1.1
173.00897	1.8
185.04839	1.0
187.02541	2.4
205.03549	27.9
217.65701	1.1
222.25003	1.4
223.04628	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	223.0611
Annotation	Sinapate
Peak:m/z	Relative Intensity
62.93101	0.6
78.31554	0.7
83.95734	0.7
93.03398	1.1
119.05038	0.8
121.02953	10.6
132.02182	1.1
135.04507	4.0
143.00291	0.8
147.04526	5.6
149.02435	100.0
152.01176	3.4
154.33516	0.6
160.74785	0.7
163.03986	7.1
164.04790	69.9
164.19600	0.7
165.01932	1.4
169.05125	1.2
179.07147	8.4
193.01407	21.0
208.03787	39.1
223.06117	29.4
223.07840	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	223.0612
Annotation	Spiromassaritone
Peak:m/z	Relative Intensity
60.45840	0.5
62.23478	0.4
63.03949	0.4
69.03382	0.4
81.91579	0.5
89.23125	0.4
91.01897	0.5
93.03458	1.9
100.47321	0.5
108.02158	2.7
119.05016	34.4
135.04526	4.1
135.08151	2.3
147.04523	100.0
163.04092	0.6
164.04779	19.6
179.07140	47.7
191.03485	0.8
196.03816	2.8
223.06136	15.3
223.09575	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	223.0976
Annotation	Isoacoramone
Peak:m/z	Relative Intensity
55.92264	1.1
57.38745	1.1
69.00773	1.1
91.01859	1.4
91.96249	1.2
93.07072	2.0
93.61175	1.0
103.80224	1.2
109.06596	13.4
112.98769	1.4
121.02956	23.8
123.08140	2.4
124.01631	2.2
135.04515	1.8
136.05307	15.8
137.06071	7.2
138.03255	9.7
139.03979	5.1
149.06062	4.9
151.07639	2.0
153.01923	1.8
153.05571	31.2
163.07689	1.9
164.04811	8.7
164.08418	13.4
165.05565	10.7
167.07120	17.5
179.07109	5.9
180.07930	2.5
181.05045	6.8
208.07397	11.1
223.09747	100.0
223.13301	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07052	1.2
57.03447	1.2
59.01378	3.2
69.03458	6.8
81.42908	1.1
86.82854	1.2
92.20104	3.4
94.90140	1.2
108.05814	1.5
109.06547	2.0
128.21115	1.3
134.71826	1.3
167.10767	13.0
177.12729	1.5
179.10785	6.1
179.14384	11.6
187.15958	1.4
195.13913	31.8
205.12337	20.1
223.13391	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42141	1.5
59.01376	8.2
59.72747	1.5
69.03463	7.0
71.04999	2.5
75.40070	1.6
75.67015	1.5
91.46732	1.7
96.95192	1.5
121.43591	1.6
133.99574	1.9
135.11742	2.8
157.09271	1.7
167.10718	13.9
175.92130	1.8
179.10789	3.1
179.14415	14.2
195.13908	33.8
205.12367	28.2
223.13390	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	225.0769
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
56.19144	0.3
57.03450	0.4
63.61335	0.3
72.82177	0.4
78.08652	0.3
93.03450	1.3
96.95990	0.5
103.96708	0.3
109.02957	0.5
121.02944	13.1
125.02379	0.5
134.92084	0.3
135.04530	1.4
137.02374	0.5
137.06082	0.4
166.06348	100.0
181.05084	0.7
181.08701	6.6
204.06808	0.3
210.05356	25.0
225.00352	0.7
225.07690	47.0
225.14917	1.3
236.04108	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	225.077
Annotation	Inflatin C
Peak:m/z	Relative Intensity
50.12765	1.8
50.35211	1.4
68.90984	1.4
73.02946	100.0
75.00862	7.4
81.03436	1.8
88.18063	1.3
92.20067	2.2
93.03445	3.6
96.96001	2.6
100.52628	1.9
106.04221	3.2
109.02921	7.0
121.06600	9.5
123.04514	9.7
125.02443	2.4
126.49839	1.4
137.02435	7.0
137.06136	2.4
137.09793	2.3
139.03993	2.2
143.84798	1.6
148.05318	1.8
149.06116	10.6
150.92543	1.4
151.04008	3.7
153.01959	15.9
163.04048	2.7
165.01994	1.7
166.02777	2.5
166.06352	29.4
167.03485	3.6
169.21989	1.7
178.99840	1.9
181.01477	5.2
181.05074	3.5
181.08719	47.8
193.01405	2.0
194.30740	1.4
207.02995	3.7
225.04115	5.2
225.07689	89.1
225.11293	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	225.0768
Annotation	Inflatin C
Peak:m/z	Relative Intensity
55.67527	0.9
57.03454	25.8
59.01385	1.2
59.21131	0.7
67.05539	3.7
68.25017	0.8
71.05010	0.9
81.03466	0.9
83.05029	13.2
95.05012	1.6
107.05033	1.4
107.70335	1.0
109.02955	28.7
111.04515	8.5
118.03232	0.9
118.98593	0.9
119.08650	3.9
121.06588	1.6
125.06065	1.8
135.08153	3.9
137.02509	1.1
137.06122	1.8
137.09724	96.0
139.07658	13.1
152.01144	3.7
153.01935	100.0
163.07587	1.6
174.24579	0.9
181.05064	4.5
181.08707	54.0
225.04146	8.1
225.07698	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	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.01984	0.5
51.30385	0.6
54.35106	0.5
54.99430	0.5
59.01378	1.1
65.93558	0.6
66.29980	0.6
74.59976	0.6
97.02951	9.6
99.00864	4.0
109.06618	1.4
110.03726	4.2
125.09733	1.5
135.08232	0.7
158.66096	0.7
161.09680	0.7
163.11307	13.7
181.12350	35.2
181.13956	1.3
182.36234	0.6
198.45911	0.6
207.10277	87.7
222.46718	0.7
225.11331	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	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.68048	1.6
57.38026	1.6
59.01385	3.9
73.02956	7.5
91.98108	1.6
95.05024	3.0
107.05094	1.8
109.06594	1.7
163.11293	34.7
181.12347	100.0
207.10243	13.9
225.11340	66.8
225.14827	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
54.73665	0.6
57.49454	0.5
58.84077	0.6
59.01389	8.0
69.03439	0.6
71.01369	0.6
83.05015	1.2
86.73669	0.6
91.81519	0.7
93.11335	0.6
109.06580	1.3
124.49728	0.5
132.22974	0.6
163.11293	25.4
181.12346	100.0
207.10207	0.9
225.11322	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
50.19088	1.1
55.59515	1.1
57.03447	6.3
71.57111	1.2
72.61167	1.1
73.02942	2.6
73.45155	1.1
74.38658	1.2
78.20646	1.2
98.56048	1.3
135.79895	1.4
137.02480	1.4
137.09715	3.0
155.10774	2.3
163.11346	2.6
181.12355	15.0
207.10202	1.8
213.01929	1.3
223.18410	1.4
225.07988	1.3
225.11359	8.2
225.14970	100.0
246.11017	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	227.0715
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
59.30310	0.2
60.62660	0.2
70.38572	0.3
96.47697	0.3
104.50204	0.2
123.72652	0.3
124.41431	0.2
183.13895	1.2
199.07712	1.0
212.04802	8.1
212.45081	0.2
226.06372	12.7
227.07153	100.0
227.20215	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	227.0927
Annotation	Depdecin
Peak:m/z	Relative Intensity
56.46769	0.7
57.03455	5.1
59.01396	1.4
59.74378	0.8
61.56326	0.8
79.05539	1.1
83.01385	1.5
84.02162	1.8
85.02942	13.8
85.03391	1.0
93.03442	1.8
95.01360	1.0
95.05035	5.1
97.06588	21.8
98.03729	6.0
105.07137	1.2
107.05017	4.7
109.06693	0.8
111.00868	4.1
111.08143	12.6
121.06575	4.5
123.04520	19.1
123.08186	1.7
124.01664	1.0
124.05264	1.3
125.06062	5.4
125.09730	1.0
129.01939	16.9
132.37993	0.9
135.08176	3.6
137.06081	1.4
137.09715	1.1
139.07660	100.0
149.04988	1.5
149.06090	28.1
151.07526	0.9
153.09203	3.7
163.07706	1.1
165.05673	1.1
167.07141	86.9
179.07129	1.0
191.07132	1.5
197.06371	0.8
209.08284	9.7
227.05652	1.1
227.09235	16.1
227.16675	1.2
227.20201	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	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
50.47791	0.3
70.62054	0.3
72.99307	100.0
75.00873	5.7
75.04058	0.3
91.14845	0.4
97.02926	0.5
120.27139	0.4
123.08175	0.4
125.06100	1.7
138.06923	0.6
139.07628	3.4
151.07654	3.9
152.08434	5.0
153.09222	4.9
165.09225	5.5
209.08212	3.4
227.09259	41.8
227.20142	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	227.0927
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
50.18948	0.8
59.01371	1.4
71.27866	0.9
79.96761	0.9
95.05013	1.0
97.06590	1.0
123.08170	1.4
137.09792	3.4
139.04065	3.2
139.07632	9.0
139.11296	7.3
140.01088	1.5
151.00436	1.5
165.01907	1.0
165.05623	1.4
165.09224	1.8
168.00652	1.8
183.02982	4.0
183.10278	100.0
209.12056	0.9
226.91994	8.4
227.05612	1.7
227.09250	43.5
227.12773	2.4
227.20126	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	227.0926
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
53.65969	0.7
57.03453	28.4
64.70844	0.8
65.00331	1.2
69.03454	1.6
71.05006	6.3
71.05369	1.0
78.21745	0.9
89.59167	0.9
91.50124	1.0
111.93861	0.8
112.77505	1.0
113.02441	2.2
121.02947	1.3
123.98139	1.0
124.01596	2.0
137.09756	1.3
139.03989	1.2
139.11292	100.0
153.09277	1.1
165.01932	11.7
165.09207	1.6
183.02925	2.2
183.10286	28.6
183.13817	1.4
209.00916	8.4
227.01819	7.3
227.03870	2.9
227.09230	13.3
227.12875	5.7
227.20099	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	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.01053	0.6
55.50311	0.5
56.19250	0.5
59.01385	40.1
69.62614	0.6
87.25356	0.6
102.15936	0.6
109.02946	0.7
110.11887	0.6
121.06613	0.6
122.03741	5.9
124.01604	0.6
135.08139	6.1
137.06079	21.6
137.10811	0.6
138.06813	0.7
139.04065	1.0
147.04544	0.7
149.02441	3.3
150.03220	1.2
153.09207	4.8
159.50552	0.6
164.04845	6.7
165.05557	4.1
165.09209	24.4
167.03517	1.0
167.07172	3.2
179.07140	11.3
183.03021	0.8
183.10242	1.1
197.04575	0.9
197.08240	7.5
212.06927	1.1
227.05606	4.8
227.09259	100.0
227.20065	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.19579	1.0
55.10904	1.0
70.98659	1.0
87.59843	1.0
92.20114	1.4
92.52655	1.0
106.73752	1.0
133.58630	1.0
165.12827	5.2
183.04546	1.6
183.13904	100.0
209.11823	10.6
227.03548	1.9
227.12885	95.6
227.20155	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	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.21808	0.8
54.87924	0.8
57.03453	2.0
59.01386	100.0
61.90603	0.9
70.60026	0.9
73.02946	9.4
78.24654	1.0
81.03448	1.1
83.05030	6.6
84.02175	1.6
86.56920	0.8
101.02431	1.4
117.93878	0.9
125.06008	1.4
163.11263	4.7
165.12836	5.3
178.78419	1.0
179.17950	0.9
181.12410	1.0
192.77129	1.2
209.11836	86.9
227.12894	31.8
227.16353	1.2
227.20178	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	227.2018
Annotation	4,10-Dimethyldodecanoic acid
Peak:m/z	Relative Intensity
54.99698	1.5
57.03449	1.6
57.61682	1.5
72.47803	1.5
74.33548	1.4
79.39297	1.4
81.05141	1.4
95.41986	1.6
98.77310	1.6
171.10323	2.2
179.00818	1.8
183.13910	2.8
183.17491	8.4
197.19209	3.8
209.11621	1.8
211.17056	23.2
225.18597	26.2
227.12932	2.0
227.16637	29.7
227.20166	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	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
67.94764	0.4
69.35973	0.4
69.80476	0.5
116.04755	0.4
121.34422	0.4
178.55765	0.5
227.20166	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	229.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17434	6.8
71.61111	5.8
78.95908	10.9
82.86060	6.3
87.00878	10.1
93.26945	6.0
97.06574	7.0
97.63487	7.7
99.00868	71.2
100.93327	8.0
110.62049	6.3
111.50883	6.6
116.92822	30.8
129.01952	100.0
150.58073	8.0
184.97626	24.2
210.53897	7.8
210.97028	6.6
229.03482	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	229.0506
Annotation	Visnagin
Peak:m/z	Relative Intensity
51.60437	0.5
54.00739	0.4
56.85541	0.5
58.04251	0.5
59.01384	0.6
59.96281	0.4
62.63766	0.4
63.02395	2.1
65.00327	9.3
75.16364	0.4
83.01389	6.5
84.35323	0.5
84.54439	0.5
95.97124	0.5
107.01392	13.8
116.29296	0.5
119.05029	8.7
141.07130	2.3
143.05045	5.5
145.02954	17.8
147.04530	0.9
151.00368	40.4
152.25504	0.6
155.89964	0.5
157.06602	0.8
161.06078	9.5
169.01463	0.6
185.06090	11.3
187.04027	1.0
211.13463	0.7
229.05054	100.0
229.14325	0.9
230.68362	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	229.0718
Annotation	GEIR-3
Peak:m/z	Relative Intensity
50.18092	0.6
57.03434	0.9
67.60426	0.7
68.57111	0.7
69.61113	0.8
70.68942	0.9
71.01372	0.9
73.70756	0.7
78.51437	0.7
81.65681	0.7
82.69091	0.7
87.62733	0.7
91.00314	0.8
97.90388	0.8
123.08157	0.9
125.09718	0.8
128.77350	0.7
132.73959	0.9
141.09232	100.0
157.01364	0.9
167.07141	14.0
185.08199	49.5
185.11694	6.2
201.01904	1.5
210.35213	0.7
214.06255	1.0
229.01495	3.5
229.05064	1.9
229.07156	19.4
229.10791	4.6
229.14337	1.3
230.64401	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	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
53.64146	0.5
54.77948	0.6
57.30314	0.6
69.03442	3.2
78.54331	0.6
85.06605	0.8
92.19440	1.8
99.08159	5.2
112.75053	0.7
121.10202	1.3
123.11804	1.2
141.07143	0.6
155.10786	18.0
159.70041	0.7
159.96265	0.8
167.10776	100.0
185.11830	7.9
211.09737	2.8
229.04942	1.0
229.08786	0.9
229.10675	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	229.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48532	0.4
60.00557	0.4
69.03445	1.0
69.51543	0.4
77.60989	0.4
82.87167	0.5
99.00887	2.5
99.08170	0.8
111.00928	0.6
114.10414	0.4
123.11858	0.7
135.00905	0.6
137.09737	0.5
155.10794	9.3
167.10779	100.0
178.21437	0.5
185.06023	1.8
185.11838	3.9
194.68315	0.4
199.09758	0.6
201.05672	0.5
211.09807	1.1
211.78252	0.5
229.01485	0.7
229.05092	1.0
229.08635	1.0
229.10843	5.4
229.14415	0.6
231.11919	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	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
50.20162	3.0
57.03458	3.7
59.01370	5.6
59.39723	2.5
59.40006	2.4
62.33632	2.5
68.32203	2.8
69.03442	3.7
71.93988	2.5
73.02991	2.4
84.95596	2.7
96.69626	2.5
104.54659	2.4
113.02459	71.1
139.11284	5.4
141.09258	6.6
167.07173	5.7
167.10802	3.8
185.08183	3.6
185.11874	72.8
229.01312	5.5
229.05014	6.4
229.07326	3.6
229.10811	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.40839	0.9
167.14409	45.2
211.13414	68.9
229.14450	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	229.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70478	0.4
59.73527	0.3
62.25079	0.3
66.61443	0.3
71.37659	0.3
79.36303	0.3
83.05013	0.3
88.51680	0.3
92.19418	0.6
95.20815	0.4
152.29958	0.3
152.54842	0.3
157.06566	1.4
158.56064	0.3
161.00406	0.3
167.10770	0.7
167.14394	0.4
176.18106	0.3
179.06773	0.3
183.13902	9.7
185.11832	44.4
193.12317	3.2
193.24895	0.3
211.13405	100.0
222.91913	0.4
229.14479	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.14046	0.2
56.83478	0.2
63.99233	0.2
67.51575	0.2
73.02935	0.3
78.88528	0.2
85.62664	0.2
89.21110	0.2
141.07074	0.3
141.12892	0.4
155.10759	0.4
157.06581	1.3
167.10847	0.3
167.14473	0.6
183.13896	8.0
185.11835	41.6
193.12300	2.0
211.13405	100.0
229.14438	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
51.95880	0.6
52.33649	0.5
56.59580	0.6
63.50142	0.6
72.99299	1.0
73.01173	1.4
76.67937	0.6
82.02983	6.7
87.00870	0.9
92.20132	0.8
93.62737	0.5
96.04555	22.9
97.41451	0.6
98.99091	2.9
108.04554	26.1
112.04020	1.2
114.00191	61.8
132.02959	0.7
133.29689	0.6
142.03322	100.0
180.25301	0.7
186.02321	32.7
212.05682	1.0
230.01273	64.4
230.10268	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	231.0662
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
56.71540	0.6
62.12600	0.5
67.40550	0.6
76.50039	0.6
84.13843	0.6
91.78486	0.6
143.05020	2.8
153.04314	0.7
154.90770	0.7
171.04617	1.0
172.05301	83.5
174.56923	0.6
187.07652	94.7
216.04236	3.0
231.06627	100.0
241.76831	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	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
58.73119	0.4
59.01382	23.6
61.13284	0.4
62.64750	0.4
65.96421	0.4
76.69608	0.5
100.91764	0.5
121.28481	0.5
127.11295	0.6
143.05109	0.6
151.11261	3.2
169.12338	30.8
171.10269	100.0
186.65079	0.6
213.11351	8.9
231.12370	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1341
Annotation	Thalictroidine
Peak:m/z	Relative Intensity
51.56218	1.4
59.87194	1.7
99.08157	39.6
102.03487	3.0
104.05074	7.3
118.02985	2.8
122.58919	2.6
132.04552	10.0
134.06125	100.0
157.51263	1.9
201.90430	2.0
204.13914	20.9
232.13449	51.4
234.80098	2.1
245.35844	1.9
246.22142	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	233.0455
Annotation	HOHPDA
Peak:m/z	Relative Intensity
51.00806	0.8
59.01385	2.2
80.88223	1.0
86.18372	1.0
87.00884	1.8
92.19398	2.3
93.03449	6.0
111.00854	1.1
112.98798	6.7
117.03466	10.9
118.04237	2.3
119.05017	92.8
130.04247	7.0
131.05011	21.2
133.02982	1.8
133.06596	4.6
143.05023	4.6
145.02956	11.7
147.04559	8.4
149.06056	1.8
158.03748	5.1
159.04515	21.6
171.04472	1.6
187.04050	16.7
205.05020	5.0
215.03516	46.6
233.04555	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	233.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87167	1.8
59.01384	22.6
71.04980	2.5
73.19456	1.9
78.57553	1.9
93.03467	3.6
95.05013	3.8
107.05057	8.6
111.00916	3.3
121.06613	4.7
123.08173	20.8
124.01680	4.6
131.07114	2.6
137.02419	2.5
139.68832	2.0
147.04585	1.8
147.08182	22.2
149.02487	3.0
149.06085	21.2
150.03241	3.8
161.02509	11.6
163.07646	2.0
165.09213	21.9
173.04547	10.0
173.06129	19.6
180.08575	2.0
189.09192	3.2
191.07138	30.1
215.07164	66.8
215.09135	3.6
233.08223	100.0
233.10048	3.8
233.15608	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49168	0.4
53.56060	0.4
56.96631	0.4
59.01385	12.1
74.99058	4.4
78.31360	0.5
93.00124	0.9
93.03435	1.0
95.17794	0.5
119.93472	0.5
134.99379	2.0
140.33244	0.4
146.24811	0.6
149.00954	49.8
161.06326	1.0
173.04541	2.1
175.68607	0.5
188.98674	0.6
189.12834	1.2
191.19420	0.5
217.07210	87.2
230.83691	0.5
233.10330	100.0
233.15372	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	233.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.11650	0.6
61.79167	0.7
62.02396	0.7
67.29996	0.7
67.62840	0.7
68.80856	0.7
71.19634	0.7
79.28726	0.8
95.36147	0.7
128.84265	0.8
133.06590	1.0
139.58041	0.8
147.11826	3.7
155.08650	1.1
159.08160	0.9
171.11804	1.9
173.09700	22.7
174.10490	24.3
187.11240	9.1
189.12857	100.0
233.11821	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	233.1182
Annotation	alpha-Phenylcyclohexylglycolic acid
Peak:m/z	Relative Intensity
55.12324	0.7
59.01380	7.2
70.68036	0.8
75.62782	0.8
117.90215	0.9
118.20859	0.9
124.38906	0.8
124.83675	0.8
133.06625	1.3
136.73714	0.9
147.11777	3.6
155.08730	1.3
159.08148	1.3
171.11781	3.9
173.09718	25.6
174.10497	28.9
187.11345	6.8
189.12863	100.0
233.11855	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1182
Annotation	alpha-Phenylcyclohexylglycolic acid
Peak:m/z	Relative Intensity
52.97047	0.7
57.03459	1.0
57.76558	0.7
59.01371	5.6
61.47514	0.7
67.11331	0.9
73.02936	3.5
92.19970	1.2
93.03464	0.9
105.07101	0.9
125.15467	0.9
133.06606	3.4
145.10194	0.9
147.11801	5.2
155.08650	1.4
157.06602	3.3
159.08200	1.8
169.40456	0.8
171.11815	1.3
173.09694	24.5
174.10490	28.2
187.11356	6.2
189.12859	100.0
233.11819	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	234.15
Annotation	Huperzine W
Peak:m/z	Relative Intensity
58.66283	0.3
59.01380	1.2
74.51104	0.3
114.84152	0.3
120.22985	0.3
139.52040	0.3
207.06488	0.3
219.12611	0.5
234.15002	100.0
238.93962	0.3
251.11652	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	235.0725
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.41976	1.1
55.47489	0.9
59.01374	5.6
66.55081	1.2
71.01377	2.5
72.99303	1.3
73.02972	1.4
75.00864	1.8
85.02934	1.7
91.51902	1.2
94.02982	100.0
96.60975	1.0
99.04557	1.1
100.46351	1.3
101.02431	4.9
105.07130	1.5
113.02432	1.4
113.49301	1.0
117.05570	5.9
123.05680	1.3
144.04567	1.3
145.08731	2.0
146.06075	1.4
147.06628	4.2
148.07687	11.6
154.89166	1.2
173.07150	2.2
174.05573	7.9
175.06476	4.4
187.05078	1.5
189.06725	13.9
191.08275	51.7
235.07245	75.8
235.11801	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	235.1339
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
59.01385	9.6
60.06170	0.4
62.67345	0.5
67.60850	0.4
72.50806	0.6
82.48880	0.5
95.05018	2.9
104.63597	0.5
121.60456	0.5
163.11313	4.9
191.14441	3.8
203.08066	0.5
206.30077	0.5
217.12395	0.7
235.13393	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
56.54904	1.1
57.03442	2.1
57.44568	1.2
69.03433	2.2
79.28679	1.3
83.05040	1.5
87.04496	1.9
95.05025	1.6
97.02941	7.7
97.06586	2.9
101.26846	1.2
101.93291	1.2
108.05828	1.6
109.06587	2.1
120.49949	1.3
121.06577	8.2
123.08150	8.4
125.06068	7.9
135.04523	2.3
135.08154	2.0
137.06108	1.7
137.09709	15.1
139.07645	4.7
147.11823	1.8
151.07684	10.0
151.11282	85.9
165.05589	1.5
173.09711	1.9
177.09128	1.7
179.10732	2.7
180.07909	5.1
187.11279	2.8
189.12837	15.7
191.10863	1.7
191.14404	2.7
199.11220	2.2
201.09189	1.8
202.10034	9.3
205.12309	24.3
215.10783	8.0
217.12331	49.3
220.10982	1.7
235.13376	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	235.134
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
57.03449	0.9
59.01372	4.3
69.03455	1.0
71.01369	0.9
81.03452	5.4
83.01389	7.3
83.05018	10.0
95.05006	1.4
97.02942	1.4
97.06573	1.3
98.42723	0.7
110.03715	2.8
111.04510	1.0
113.06071	1.1
118.07941	0.6
121.06528	2.6
123.04569	1.2
123.08183	2.9
151.11273	13.9
163.11320	1.0
179.10811	0.9
189.12926	1.0
191.14445	3.7
195.55083	0.8
201.36169	0.8
207.13907	3.8
217.12334	2.4
220.93013	0.6
235.13387	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
52.16972	0.6
55.01854	0.6
56.05513	0.7
59.01385	7.7
67.81870	0.6
69.03458	1.4
79.81291	0.7
81.03454	6.0
83.01388	10.0
83.05032	10.8
84.02154	0.7
93.03465	0.7
95.05038	1.4
97.02960	1.1
97.06578	1.0
99.04517	1.7
110.03703	2.6
111.04518	0.8
113.06086	1.0
120.51744	0.7
121.06574	1.5
123.08154	4.0
142.02719	0.8
151.11276	16.2
161.09737	1.0
179.10831	1.5
185.25363	0.8
189.12898	1.0
191.14417	3.4
207.13872	1.7
217.12354	2.9
235.13402	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	235.134
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
63.87990	0.4
68.74814	0.4
69.96944	0.5
80.02678	1.1
95.05019	0.9
97.91394	0.5
107.05009	0.6
125.00056	0.6
134.59767	0.5
163.11317	4.7
191.14435	100.0
197.50912	0.5
235.13402	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.73606	1.1
51.20893	0.8
57.03440	1.4
59.01383	13.1
70.46103	0.9
71.01373	2.1
73.83243	1.0
81.03442	4.5
81.15383	0.9
83.01389	8.3
83.05025	9.3
92.82187	1.1
95.05018	2.2
97.06548	1.3
110.03683	1.6
113.06075	1.0
118.46613	1.1
121.06575	1.2
131.97212	1.1
151.11281	13.1
164.58022	1.1
177.12820	6.1
181.05142	1.5
189.12906	2.5
189.34247	1.1
191.14453	7.2
207.13879	13.1
217.12312	4.7
235.13396	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	235.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65813	0.5
57.03444	1.3
59.01387	4.6
66.06874	0.7
66.70319	0.6
69.03461	0.8
71.01363	1.2
73.02947	15.1
76.64204	0.7
77.79215	0.6
83.04974	0.8
84.02161	1.3
85.02943	0.9
95.05012	2.5
97.06585	1.6
99.44315	0.8
105.69514	0.6
166.04515	0.9
177.12852	5.3
179.14444	0.8
189.12859	1.0
191.14407	3.9
207.13916	10.8
217.15965	1.0
235.13513	16.0
235.17030	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	235.1703
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
51.16779	0.3
59.01386	3.2
60.97040	0.3
62.02297	0.3
64.01186	0.3
64.72382	0.3
73.53680	0.3
97.04544	0.4
112.84563	0.3
228.30682	0.4
235.17033	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	235.1704
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01389	20.9
59.01632	2.5
59.56953	1.7
60.12073	1.5
60.12412	1.7
74.18708	2.5
104.96044	2.3
140.35504	2.2
235.13310	6.6
235.17049	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	236.0929
Annotation	Funebral
Peak:m/z	Relative Intensity
57.73581	1.4
59.01385	99.7
72.04552	56.6
72.04854	1.3
72.30615	1.5
72.99310	100.0
73.19944	1.7
74.90515	1.3
78.49444	1.5
85.86685	1.5
92.19356	2.6
101.72949	1.7
105.07097	8.5
119.05034	20.6
132.08177	33.0
132.84840	1.7
145.06584	3.0
146.06096	9.1
147.06879	2.4
148.07594	1.7
158.06137	2.0
162.09253	31.9
174.09238	15.5
176.07159	29.5
194.08228	21.8
204.26213	1.5
218.08215	56.0
228.12349	1.4
236.09293	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0928
Annotation	Cotarnine
Peak:m/z	Relative Intensity
64.54594	1.4
68.77247	1.4
80.05070	2.3
83.39785	1.5
84.01865	1.4
92.20150	2.8
94.02992	2.2
96.04571	15.3
122.02457	6.7
123.03268	90.4
124.04033	32.3
138.01965	29.4
139.02766	9.7
140.03543	100.0
150.01997	7.2
151.02753	66.2
152.03519	37.2
180.10272	8.9
185.82854	1.6
208.09808	60.2
236.09261	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0928
Annotation	Funebral
Peak:m/z	Relative Intensity
52.50741	0.8
52.71318	1.0
61.98824	1.2
68.59682	1.0
72.04545	15.0
72.99308	87.5
73.02945	23.9
84.90687	1.0
87.53886	1.1
92.20176	2.1
93.44467	1.1
114.81021	0.9
118.06606	2.0
119.05026	11.6
132.04549	2.6
134.06108	10.7
144.04550	12.8
162.05602	6.7
162.09265	23.6
174.09273	2.4
180.06686	16.7
190.08748	38.1
218.08237	11.2
236.09288	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	237.0405
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
50.10313	0.1
59.75991	0.2
60.97857	0.2
74.65759	0.1
75.82958	0.2
91.01898	0.4
92.19408	0.2
95.01382	0.7
96.96004	0.3
108.02164	1.8
108.23528	0.2
111.00883	1.0
121.02988	0.3
123.00928	0.4
124.01654	0.2
134.03740	0.8
145.94664	0.2
149.02441	2.5
149.09720	0.3
151.00346	0.3
152.01157	4.3
152.02286	0.3
161.54936	0.2
166.02699	1.6
167.03499	100.0
178.02730	0.7
193.05072	60.2
207.10211	0.2
222.05298	1.2
237.00395	0.3
237.04042	2.1
237.07736	0.8
237.11255	1.2
237.14886	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	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
51.09208	0.3
57.03445	2.2
59.01387	1.6
60.87410	0.4
70.36196	0.4
71.01375	0.5
75.00864	1.8
77.31580	0.4
78.95906	4.9
79.38518	0.4
79.61349	0.3
85.02944	2.0
86.84286	0.4
87.00872	100.0
89.02462	0.4
97.02958	0.5
101.02406	0.4
111.00990	0.4
126.01122	0.3
129.01944	14.1
137.54959	0.3
140.02211	0.4
149.79556	0.3
164.71056	0.4
170.94127	0.4
194.93851	0.4
219.05022	0.5
237.06154	7.0
246.84793	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	237.0769
Annotation	7-Methoxymalbranicin
Peak:m/z	Relative Intensity
55.38735	1.5
65.10020	1.4
69.03446	2.3
73.02956	25.1
79.07223	1.6
79.86813	1.7
87.04509	36.6
89.06080	70.9
90.28268	1.8
92.51038	1.5
96.96041	1.9
97.02959	2.6
119.58328	1.7
121.02947	62.6
137.09695	8.0
149.02448	17.2
149.06090	14.1
150.03287	1.7
167.03499	100.0
178.02740	2.8
179.07263	1.8
193.01392	4.2
193.05081	69.8
193.12294	2.4
207.13879	23.5
212.26624	1.6
214.90097	1.9
222.05267	2.7
237.04022	10.3
237.07726	30.0
237.11295	6.8
237.14952	48.4
237.80878	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	237.1132
Annotation	Allyltetramethoxybenzene
Peak:m/z	Relative Intensity
52.03443	0.3
57.03449	1.3
57.94786	0.3
60.00739	0.3
73.02942	1.4
77.81215	0.3
87.04530	4.6
88.08640	0.3
89.06062	4.6
101.99622	0.3
105.75333	0.3
105.85072	0.4
106.52848	0.4
121.02950	9.1
122.03726	2.0
135.04507	1.7
137.02429	0.6
138.03273	0.7
150.03232	3.1
163.03970	0.6
163.07619	0.4
165.01901	0.7
165.05621	0.4
177.05638	1.4
178.06400	2.3
181.08711	6.8
211.18279	0.3
219.10223	1.5
222.05267	0.4
237.07515	2.6
237.11320	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.69019	0.6
51.76502	0.7
59.01385	4.2
70.96974	0.8
75.55167	0.7
77.92005	0.7
83.05033	1.6
85.02579	0.7
93.54756	0.7
94.20403	0.7
142.66765	0.8
165.12817	4.8
184.22836	0.7
185.19472	0.9
193.16002	7.7
209.15462	7.6
219.13860	1.2
237.14958	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
56.90467	0.4
59.01385	7.2
59.54887	0.4
69.03463	0.6
71.01381	0.6
76.32598	0.5
81.03457	0.6
83.05035	2.5
91.58601	0.5
92.02141	0.5
97.66391	0.4
136.79219	0.5
148.03349	0.5
151.00150	0.5
155.10780	0.5
165.12830	5.2
166.99278	0.5
170.60117	0.6
179.10739	0.6
188.16725	0.5
191.14316	0.6
193.12234	0.9
193.15962	10.3
209.15523	8.1
219.13916	2.4
237.10983	3.3
237.14964	100.0
238.87471	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	237.1496
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
60.08893	0.5
61.99789	0.5
69.03457	4.6
71.05019	0.9
79.71726	0.5
85.06598	0.7
97.02957	6.3
97.06596	1.3
107.05034	1.1
109.06587	3.4
121.06556	0.7
135.08073	0.7
151.11255	6.9
163.11313	2.7
165.09209	3.0
177.09196	0.8
181.12344	15.4
191.10829	2.2
193.12343	8.3
207.13930	7.0
209.15459	2.6
219.13953	3.4
221.11830	8.4
222.12521	0.9
232.38776	0.6
237.14969	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82629	0.3
55.30732	0.2
59.01385	1.3
59.95966	0.3
68.37543	0.3
69.03455	2.0
69.14709	0.3
71.05002	0.4
79.43538	0.3
91.67592	0.3
92.19401	0.7
142.64978	0.3
143.03625	0.3
177.12857	1.2
191.14424	3.3
193.15993	9.5
237.14967	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	237.1497
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
52.19842	0.3
57.14361	0.3
59.01394	2.4
69.03444	2.3
71.05024	0.6
77.38683	0.3
81.00783	0.3
92.20028	0.5
141.13188	0.3
176.49603	0.4
177.12849	0.5
191.14432	4.0
193.15981	8.8
237.14970	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	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51018	0.3
51.69724	0.3
58.79445	0.3
59.01379	2.3
66.88625	0.3
69.03465	0.7
106.86291	0.4
120.92199	0.4
163.11266	0.6
177.12805	0.6
191.14420	4.6
193.15990	10.9
237.14963	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	237.1497
Annotation	Rumphellolide E
Peak:m/z	Relative Intensity
59.01395	0.5
62.93712	0.4
65.28427	0.5
65.52952	0.5
69.03453	1.1
69.41818	0.5
73.02943	3.3
81.10869	0.5
82.37460	0.6
83.01373	2.2
87.04517	5.1
89.06084	6.6
97.02949	3.3
108.02159	1.3
112.24379	0.6
121.02967	8.3
134.03720	1.1
147.08157	1.2
149.02446	7.0
149.06134	1.9
149.09706	0.7
152.01134	3.8
161.09648	0.6
163.11195	0.7
166.02718	1.1
167.03494	100.0
177.12805	2.3
178.02684	0.9
185.58513	0.6
189.12825	2.2
191.07062	0.8
191.10832	3.3
193.01392	2.8
193.05069	64.8
193.12361	2.5
205.12257	0.6
205.57130	0.6
207.10233	2.2
207.13907	32.8
222.01555	0.6
237.00383	0.7
237.04068	3.4
237.07756	6.1
237.11194	2.8
237.14963	91.7
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	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
52.23001	0.6
52.47167	0.6
53.19308	0.7
66.72099	0.8
68.19257	0.6
69.03453	1.1
71.45155	0.7
81.25016	0.8
90.44611	0.7
118.66222	0.8
145.89789	0.7
166.06349	3.3
177.09082	0.9
177.12817	0.9
181.84476	0.7
191.14439	5.3
193.08730	1.2
193.15964	14.6
211.17091	1.4
237.14957	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	237.1496
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.57130	0.3
55.04030	0.3
59.01385	0.4
61.41417	0.3
64.03543	0.3
65.26221	0.3
69.03455	1.4
70.47045	0.3
82.69621	0.4
84.35836	0.3
97.31680	0.3
137.58589	0.4
163.11288	1.5
177.12846	0.4
191.14433	11.8
193.15993	10.1
229.15279	0.4
237.14969	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	237.1498
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
57.03453	1.3
62.79014	0.9
69.03459	2.2
71.04996	1.1
97.02942	5.6
97.06593	1.6
105.03476	1.6
107.01375	4.3
107.05029	1.8
108.02169	1.2
109.03059	1.1
109.06573	4.1
121.02926	6.7
123.04510	1.1
127.11973	1.2
130.16451	1.0
134.03748	5.5
136.54362	1.0
137.02426	1.4
137.06187	1.4
148.01672	1.2
149.02448	56.2
149.06065	1.9
149.09680	2.4
151.11243	2.5
163.11307	2.1
165.01828	1.5
165.09253	1.8
167.11763	1.0
178.02684	4.7
181.12347	10.7
189.12877	4.1
191.10791	1.4
193.01448	26.1
193.05093	5.5
193.08694	2.0
193.12344	5.8
202.70068	1.2
205.12262	1.3
207.13872	10.7
219.13861	4.7
221.11862	7.2
237.00369	4.7
237.04082	6.8
237.07765	5.6
237.11200	4.2
237.14975	100.0
242.72949	1.2
255.16159	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	238.0873
Annotation	Muricatisine
Peak:m/z	Relative Intensity
56.72471	2.5
75.99632	3.0
79.53141	2.7
102.03485	12.7
104.05085	24.1
117.03438	15.1
118.03001	3.4
121.02937	4.1
127.16924	3.1
132.04544	20.5
135.04530	11.8
146.02457	2.9
160.04065	4.7
210.09256	100.0
220.07648	14.1
238.08812	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0872
Annotation	Muricatisine
Peak:m/z	Relative Intensity
55.04329	2.4
61.98836	2.5
66.25645	2.5
102.03484	11.8
104.05076	26.9
117.03481	20.9
118.03006	4.4
132.04576	28.8
135.04495	9.8
160.03925	3.8
180.70195	3.1
184.34370	2.6
203.42856	2.3
210.09251	100.0
220.07761	19.3
238.08757	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	238.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46169	0.9
68.99804	0.9
80.05059	1.2
94.57491	0.9
124.04035	27.6
136.04054	5.0
150.01926	1.1
152.03531	16.1
155.07109	4.6
163.02754	100.0
174.96997	0.9
181.03851	10.9
192.10303	4.9
194.11884	3.9
197.08267	1.1
220.09796	71.9
238.10861	56.8
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	Unknow
Peak:m/z	Relative Intensity
61.87288	0.4
66.19416	0.4
67.66772	0.4
88.75889	0.5
91.56356	0.4
92.20087	0.9
104.67039	0.5
112.06773	0.5
167.14456	0.5
183.13916	8.7
193.12364	2.1
211.13406	100.0
238.15204	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
50.65028	1.3
59.01381	36.3
66.32646	1.4
68.46466	1.6
71.01369	6.3
72.99296	3.3
83.01424	1.7
85.08829	1.4
89.02422	3.8
91.05544	1.5
92.02686	9.2
93.02895	2.4
93.03453	41.4
101.02426	8.8
107.05014	6.5
135.04526	3.5
136.01656	42.6
137.02443	53.0
143.52864	1.9
149.06064	6.2
151.04010	6.3
177.09222	1.6
178.58740	1.4
179.03494	100.0
179.05249	4.8
179.05583	3.8
232.72647	1.8
239.05621	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
50.53396	1.1
53.86560	1.1
58.55270	1.3
58.62385	1.2
62.43302	1.5
69.38595	1.3
70.85472	1.3
87.00880	6.2
88.35672	1.3
92.20093	1.5
93.03476	1.7
106.04238	5.8
107.05025	38.1
114.45309	1.4
121.02945	7.1
133.06601	20.5
135.04474	3.3
149.06078	50.1
165.09181	1.6
167.03508	8.0
177.05566	62.9
179.03502	100.0
195.06624	9.3
221.04536	2.4
221.87076	1.4
239.05611	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	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
50.84130	0.6
55.64912	0.8
59.01385	100.0
62.90451	0.7
81.03484	1.3
83.05022	1.1
85.02968	0.9
85.51801	0.9
92.20042	1.0
95.05028	1.6
97.06589	4.5
109.06583	4.3
135.08133	4.1
141.05569	11.6
151.11272	4.7
177.09198	5.2
179.05699	1.0
179.07146	1.4
195.10272	40.8
232.07225	0.9
239.09245	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1038
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
57.57787	1.2
58.02980	100.0
59.01381	2.3
63.42437	1.1
68.55284	1.2
71.34138	1.2
73.02279	1.3
75.94265	1.4
77.28358	1.1
84.73880	1.1
91.06870	1.3
94.46113	1.3
100.04047	8.2
108.04543	16.4
116.03516	1.9
120.04548	2.6
122.06119	6.0
132.04544	7.9
134.06158	1.9
136.04042	7.1
138.05608	65.0
149.90959	1.4
150.05612	1.5
152.07170	55.2
161.24165	1.4
162.05600	26.1
166.05080	21.5
179.05823	1.6
179.08261	57.8
180.06657	1.7
194.08220	6.7
195.07719	5.7
197.09317	7.7
209.58788	1.1
221.09323	54.1
237.08820	24.0
239.10379	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.22650	0.4
59.01384	4.1
59.50234	0.4
59.52338	0.4
62.12319	0.4
63.14077	0.4
63.76203	0.4
65.21247	0.5
74.49157	0.5
83.05031	0.5
89.20699	0.5
92.20106	0.9
96.01547	0.4
177.12833	4.2
179.05534	0.7
179.11548	0.4
195.13899	100.0
203.10822	1.0
239.12856	9.2
239.16451	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	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
52.06182	0.4
55.36435	0.5
59.01377	5.6
60.02130	0.6
67.32833	0.6
69.91889	0.6
70.87717	0.5
101.01391	0.6
110.51441	0.7
117.83726	0.6
167.14523	0.6
183.80246	0.6
221.19165	0.6
239.20174	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	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
53.06089	0.4
59.01388	6.3
65.01440	2.1
65.38933	0.5
71.01373	0.6
74.48743	0.5
87.76193	0.5
106.04107	2.8
131.03673	0.8
170.07265	0.6
171.06725	0.8
179.05586	3.6
185.04544	0.6
195.13953	0.6
199.08696	1.0
212.09468	3.0
222.03952	0.5
239.06654	2.5
239.10478	2.1
239.20172	100.0
254.42648	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	241.0507
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.73484	0.3
56.95131	0.4
58.57701	0.3
59.01381	0.6
60.75072	0.3
60.97347	0.3
80.71344	0.3
167.04997	0.5
195.04520	12.1
195.06190	0.8
213.05635	2.7
214.81061	0.4
223.03999	26.7
241.05061	100.0
241.21815	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	241.0719
Annotation	Genipinic acid
Peak:m/z	Relative Intensity
59.01389	2.3
68.14206	1.5
72.99301	3.3
83.05012	2.1
87.00851	1.7
92.19381	1.5
101.14417	1.5
104.71650	1.7
107.05016	1.9
109.02955	19.8
109.06599	3.1
122.03738	12.1
122.74937	1.8
123.04524	32.6
123.08163	1.6
125.02443	2.1
134.03719	6.5
135.04547	2.6
135.08170	6.0
136.05273	2.6
136.96870	1.5
137.06091	16.4
139.71034	1.6
149.06058	7.5
150.03227	1.9
151.00378	7.2
151.07594	3.2
152.01164	2.4
153.01939	68.7
153.05557	9.3
153.09178	3.2
153.12856	2.4
166.02719	25.1
167.03503	28.0
167.07243	1.5
169.01402	11.8
178.02707	15.8
179.03513	8.1
179.07104	10.5
181.01460	1.8
181.05029	3.2
193.05092	14.9
196.03777	16.0
197.04538	1.7
197.08203	8.5
208.03755	15.6
209.04549	2.8
211.06088	12.3
223.02571	6.8
223.06102	34.2
226.04828	19.2
241.03690	15.8
241.07179	100.0
241.10945	3.5
241.17979	2.0
241.21809	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	241.0871
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
59.01379	1.5
60.37701	0.7
73.02954	1.5
75.89102	0.6
92.19518	1.2
105.00299	0.8
137.09735	1.1
147.22914	0.8
170.07370	6.4
183.04492	0.9
185.06111	1.0
187.07600	1.6
191.65608	0.8
197.06113	3.7
197.11871	3.8
198.06886	38.7
199.07693	1.8
208.05313	0.9
211.04066	7.4
213.05766	0.8
213.09245	11.8
215.34502	0.9
225.03534	1.3
225.05592	24.3
226.04094	1.2
226.06366	41.8
241.08716	100.0
258.05325	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	241.1081
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
52.16644	0.6
57.03449	4.3
59.01384	100.0
92.20154	0.8
101.02438	1.5
109.78589	0.7
121.99211	0.6
137.09715	4.2
163.07631	0.9
174.16058	0.7
181.08719	3.1
195.82240	0.8
196.64775	0.6
197.11842	48.8
201.76880	0.7
226.48770	0.7
241.10822	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	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
52.95122	0.9
53.41905	1.0
57.03453	6.3
59.01385	100.0
87.27607	0.8
101.02493	1.6
117.67909	1.1
119.08651	1.8
137.09711	4.7
181.08731	4.4
197.11830	43.7
199.09734	6.8
241.10924	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
61.94682	0.8
72.28016	0.7
74.58425	0.7
75.09489	0.7
85.02967	1.2
85.06589	20.2
87.04488	0.9
97.06586	1.6
109.06574	2.1
110.70041	0.9
129.28503	0.9
137.06110	4.3
151.11229	1.0
153.01933	1.0
153.12863	36.4
179.10814	6.1
197.11842	99.8
223.02486	0.9
223.09740	8.2
241.10828	100.0
241.21616	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.98080	0.8
57.03453	0.8
59.01381	1.6
69.03458	2.0
71.05003	1.6
71.65825	0.7
97.06601	1.0
123.08154	1.0
125.09756	3.1
151.11252	1.3
153.12860	3.5
169.12306	0.9
179.10806	4.8
180.84987	0.9
197.11845	100.0
199.06313	0.9
223.09659	1.2
223.13303	0.8
241.10815	59.7
241.14581	3.3
241.21783	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	241.1446
Annotation	A factor
Peak:m/z	Relative Intensity
50.76046	1.2
54.38401	1.1
55.51373	1.3
62.07454	1.4
70.39097	1.5
85.55544	1.5
149.49103	1.6
179.14409	41.2
197.15485	41.4
213.27798	1.4
241.05005	2.9
241.14471	100.0
241.21738	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	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
78.17692	0.4
83.89302	0.4
92.12616	0.5
157.05223	0.4
178.99858	0.7
214.07430	0.5
241.21733	100.0
256.93488	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	242.1762
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
54.86826	0.6
64.65803	0.6
66.39060	0.6
68.24739	0.7
69.30589	0.7
88.22048	0.7
94.01242	0.6
100.69320	0.8
141.52348	0.9
181.15991	37.0
198.18660	1.3
224.16599	8.1
225.14954	47.7
225.17184	1.6
235.76373	0.7
242.17633	100.0
243.15987	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	243.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03241	0.8
61.04811	0.8
65.03951	1.7
71.24297	0.8
74.02457	1.1
81.03458	3.5
82.02978	1.3
87.00880	1.9
93.03454	22.3
95.01408	1.3
97.02938	1.8
99.00879	32.8
104.54665	0.8
107.01366	3.8
109.02940	6.6
109.03589	1.1
110.02476	8.9
123.00914	1.6
125.02465	2.3
125.27056	1.0
137.02451	54.1
152.03494	1.0
153.01952	16.0
153.03064	1.5
155.03520	15.6
167.03468	5.1
181.01413	15.3
181.04924	0.9
200.05684	2.0
208.77361	1.2
211.02487	4.4
213.04060	100.0
243.05084	99.0
255.81279	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
60.28833	1.0
66.03484	8.4
68.58552	0.9
71.01390	1.5
74.22283	1.3
76.46038	0.9
82.02985	20.6
83.01380	1.4
87.00893	2.2
93.03431	1.6
94.02903	1.2
96.04586	1.4
101.42014	1.2
110.02473	100.0
111.02000	6.8
122.02468	6.2
124.03973	1.4
140.03522	9.8
152.03535	16.9
153.03052	5.9
159.27463	1.2
196.62437	1.2
200.05656	33.6
243.06271	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39830	0.6
57.03455	57.5
57.34720	0.6
67.05530	18.2
87.00862	1.6
92.20053	2.8
97.44669	0.7
111.04514	1.2
112.04063	1.6
113.04353	1.5
119.08643	4.0
125.09714	3.6
137.09731	21.7
155.10800	1.5
156.44762	0.7
169.08710	5.9
181.08714	100.0
199.09766	8.1
225.07639	1.7
243.02940	2.7
243.06622	2.7
243.08717	8.0
260.15567	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	243.1025
Annotation	Onoseriolide
Peak:m/z	Relative Intensity
64.45562	1.3
65.92523	1.1
75.44175	1.3
83.71099	1.4
92.20091	3.0
101.88786	1.6
148.93028	1.5
157.06586	7.0
169.10229	66.4
181.10260	2.2
199.11275	24.4
213.09224	100.0
221.66127	1.5
243.02943	8.4
243.06616	2.2
243.10265	62.4
245.08066	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	243.1239
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
56.68440	1.6
59.01405	1.7
59.14703	1.4
72.57007	1.4
86.52419	1.6
99.49946	1.6
137.09703	2.3
153.12820	3.2
155.10806	10.1
155.14357	2.2
170.90132	1.6
178.29070	1.7
181.08714	2.1
199.03923	3.7
199.09734	9.8
199.13414	93.6
199.15233	3.4
215.03456	2.0
225.11311	6.7
243.03035	16.9
243.06601	3.3
243.08682	12.0
243.12361	100.0
243.16011	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
61.58944	1.1
65.29481	1.4
66.11031	1.2
74.97900	1.3
81.10259	1.2
97.59344	1.4
99.00881	13.3
111.69965	1.4
125.09720	1.5
157.14168	1.4
163.11288	7.3
167.82091	1.4
175.03931	1.6
181.12357	19.4
199.04086	2.3
199.13445	23.3
200.04555	1.4
201.05548	2.6
206.29568	1.5
207.10277	32.7
224.56516	1.3
225.11339	65.2
243.02913	8.3
243.06766	13.2
243.12372	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	243.1389
Annotation	2-Hydroxy-7-methoxycadalene
Peak:m/z	Relative Intensity
51.54596	0.3
60.39224	0.3
82.42004	0.3
84.13946	0.3
95.11270	0.3
111.33330	0.3
146.47308	0.3
192.82899	0.3
211.11295	0.4
212.12029	0.4
213.12866	100.0
215.10947	0.4
227.10785	6.3
243.02866	1.2
243.13893	40.6
245.11848	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	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.11418	0.9
66.44711	0.8
70.67965	0.9
87.24896	0.8
87.33072	0.9
91.63236	0.8
114.67226	1.1
131.28027	1.0
143.36136	0.8
153.45065	1.1
179.54181	1.0
179.88882	0.9
197.19160	4.0
199.04175	1.5
199.17087	1.1
212.72626	1.1
225.18541	1.7
233.40141	1.2
243.02954	5.8
243.19655	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	243.1965
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
51.43274	1.6
59.01384	100.0
66.14587	1.5
77.66764	1.2
83.64126	1.4
84.96250	1.4
102.50402	1.3
129.48723	1.4
183.06218	1.4
199.04129	1.7
239.52502	1.5
243.02954	7.9
243.19640	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.9
61.98838	100.0
76.43035	2.9
78.56375	2.7
80.79508	2.9
85.23943	2.6
88.02277	3.2
120.89192	2.8
162.05682	2.8
170.02950	6.3
202.00299	4.4
216.01813	5.9
223.00682	3.5
224.23970	2.7
244.01372	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
72.99310	1.1
74.32158	0.7
75.16503	0.7
77.58963	0.7
78.95908	59.9
84.82969	0.7
96.96929	5.4
152.99585	100.0
171.00648	47.5
171.02130	1.7
245.04327	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0818
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03458	0.6
71.88268	0.5
73.31598	0.5
73.50935	0.5
75.85966	0.6
81.03454	3.2
81.88742	0.6
92.20074	0.7
95.05009	2.5
97.02937	1.0
109.02969	3.9
121.02938	2.3
122.03714	0.6
122.62400	0.6
123.04519	5.7
135.04558	0.8
139.03969	1.1
146.03758	1.0
147.04559	0.5
149.02440	1.8
149.40181	0.5
159.04536	4.0
160.05270	3.0
161.06075	8.5
162.03217	2.7
173.06032	0.7
174.03281	0.9
174.06860	0.7
175.04015	4.9
175.07645	5.0
185.06163	0.8
187.03995	11.3
188.04781	11.0
199.07643	2.0
201.05550	0.9
201.09267	0.9
202.06407	5.2
203.07149	36.8
212.04752	2.3
217.08600	1.2
227.07137	6.1
230.05908	2.4
245.08177	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	245.0819
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03450	1.0
68.86708	0.7
81.03460	2.0
81.10109	0.8
92.19479	0.8
95.05038	1.3
97.02946	1.1
97.31681	0.8
109.02918	4.6
121.02937	2.1
123.04514	3.7
132.05649	1.0
135.04616	0.9
149.02509	1.4
159.04518	5.3
160.05321	1.3
161.06126	8.2
162.03186	1.5
172.78038	0.9
174.03221	0.9
175.04019	6.9
175.07646	5.0
187.04051	11.0
188.04788	10.7
199.07678	1.2
201.59796	1.0
202.06360	7.5
203.07161	37.2
212.04811	2.0
217.08667	1.4
227.07137	8.8
240.91161	1.0
245.08195	100.0
260.13199	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.72840	1.0
58.02977	18.1
61.76030	1.4
70.02972	14.5
72.00916	1.6
72.04542	3.2
74.02471	94.7
74.74993	1.1
77.43327	1.5
80.80365	1.2
87.22032	1.2
98.02473	22.4
114.35911	1.4
116.03536	28.1
116.05049	29.1
130.06636	5.2
142.06609	5.3
159.09280	11.1
187.10660	1.3
201.10335	9.4
203.08286	100.0
245.09314	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81523	0.9
54.95593	0.8
57.03447	1.1
93.07096	3.9
95.08649	1.5
103.40547	1.0
135.88966	1.0
158.74347	1.0
171.10262	6.5
175.03850	1.2
183.10268	100.0
201.11375	8.8
203.07155	1.7
206.10934	1.0
213.47595	1.1
227.09213	2.5
245.04593	14.1
245.08109	4.5
245.10292	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	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53694	0.6
54.61366	0.6
57.03429	0.9
58.00587	5.0
58.33004	0.7
59.01102	1.1
59.01383	18.9
69.54306	0.7
71.01362	8.1
72.02158	3.3
72.99309	1.2
73.02938	1.3
74.02489	0.8
81.07095	3.3
81.26356	0.7
83.05011	0.7
85.02947	1.7
87.00873	15.1
89.02426	8.0
90.43517	0.8
95.05043	2.5
96.57823	0.7
97.06583	12.7
99.08150	10.2
101.02437	1.4
105.01869	0.8
107.05032	1.3
109.06572	5.7
111.08151	1.3
112.01622	2.6
115.00391	0.9
121.06564	0.9
125.06081	3.4
127.07645	100.0
129.01930	4.7
129.09196	6.5
129.10207	1.2
130.08762	0.9
137.06068	9.2
139.07637	8.0
147.02982	3.0
153.09172	1.1
155.07143	41.8
157.08696	3.2
167.07124	1.6
185.08189	4.7
245.10193	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	246.1497
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
54.61911	0.4
55.47376	0.5
56.82859	0.4
66.59671	0.5
77.62035	0.5
79.00267	0.5
95.71954	0.6
96.95975	1.0
246.14990	100.0
260.30869	0.6
264.29391	0.5
265.57858	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	247.1339
Annotation	Parthenolide
Peak:m/z	Relative Intensity
51.90658	0.4
59.72529	0.4
63.84582	0.4
63.92551	0.4
67.01903	0.5
71.58683	0.5
137.20444	0.5
153.14932	0.5
187.98805	0.5
203.14444	8.1
247.13397	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	247.134
Annotation	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
57.42238	1.0
73.34267	0.9
90.64288	1.0
135.18324	0.9
137.70255	0.8
157.10202	2.3
175.11302	2.1
182.17538	0.9
187.11288	4.4
203.14430	100.0
219.10252	1.1
219.13776	1.7
221.15479	33.1
247.13377	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.3
65.70732	1.7
79.40613	2.0
84.21539	1.6
87.97859	2.0
108.54188	1.8
111.04506	7.3
119.04961	3.3
147.04552	3.1
149.13370	12.2
175.14839	5.8
177.12926	2.0
203.18053	25.8
247.02507	7.9
247.13403	18.3
247.17038	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	247.1704
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
57.56540	0.2
78.73325	0.2
82.80482	0.2
83.19920	0.2
105.82099	0.2
113.14447	0.2
159.18837	0.2
168.51154	0.2
199.04605	0.3
247.17039	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	249.0403
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
56.33711	0.7
58.19044	0.6
60.67449	0.7
65.00337	0.8
66.44039	0.7
71.85285	0.8
83.01399	1.5
91.05558	1.0
95.05025	6.1
109.02945	4.2
117.07086	1.0
119.05015	18.1
121.02961	1.3
125.02444	3.4
133.02911	2.8
133.06584	3.6
135.00851	1.0
135.04521	3.1
137.06081	8.1
146.03709	1.0
151.00349	5.6
157.78563	0.8
159.04491	1.0
161.06084	11.7
163.04008	14.1
177.01935	28.9
177.05563	10.8
187.04034	10.5
190.02733	7.1
205.05069	100.0
221.01038	1.1
222.92169	0.8
249.04056	29.8
249.07852	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	249.0769
Annotation	Citrinin
Peak:m/z	Relative Intensity
68.71949	0.3
113.75390	0.3
117.03426	0.5
123.08212	0.5
145.02956	6.1
151.11554	0.3
159.04504	0.8
160.05313	0.6
161.02429	0.4
161.06039	0.4
187.22995	0.4
190.06371	100.0
205.08705	71.4
234.08543	0.4
239.45518	0.4
249.07657	2.1
249.11287	1.5
249.14946	1.7
268.90485	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	249.0768
Annotation	Paecilospirone
Peak:m/z	Relative Intensity
51.74023	0.8
60.77502	0.8
66.68440	0.7
74.27175	0.8
99.84657	0.9
137.02455	24.0
139.04008	5.4
144.37262	0.9
148.01668	5.4
149.02444	5.6
151.04039	1.0
151.73076	1.0
159.04495	16.2
160.05296	100.0
161.02406	1.4
172.78726	1.1
177.05544	0.9
204.04274	28.2
205.12376	1.1
216.66385	0.9
234.05341	38.2
242.76851	1.0
249.07686	94.9
249.11133	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	249.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06718	0.3
75.23260	0.3
76.50737	0.3
79.02408	0.2
85.06586	15.5
88.04421	0.3
91.06183	0.3
101.59211	0.3
131.07135	100.0
135.04526	1.6
161.06090	0.6
173.15025	0.3
204.07625	0.3
205.05019	1.1
230.96661	0.3
231.02974	1.4
249.04059	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	249.1496
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
51.07866	1.5
60.74120	1.5
69.36848	1.5
99.04466	1.9
102.87720	1.7
107.09932	1.8
143.93727	1.7
160.64796	1.8
163.11327	2.9
166.05544	1.7
205.01346	3.0
205.15981	100.0
243.77910	2.0
247.73723	1.5
249.12291	2.5
249.14949	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
50.51735	1.5
50.58303	1.3
57.03465	1.9
62.64171	1.6
64.52713	1.6
67.24937	1.5
92.20061	4.0
95.21316	1.8
103.20557	1.7
105.43734	1.9
133.07634	2.2
163.83374	1.8
165.41560	1.9
179.14378	3.9
185.41722	1.9
189.12917	14.3
191.14400	20.3
193.12300	3.9
203.14404	2.6
205.15999	100.0
207.13953	2.4
219.13934	4.2
249.14848	11.3
263.86615	1.9
267.15244	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94918	2.2
57.03455	2.6
59.01388	20.4
69.03469	16.7
69.03767	2.3
71.01389	2.8
85.63799	2.1
92.20006	2.8
96.45336	2.4
134.09753	2.2
151.18800	2.1
177.12828	2.9
193.12303	4.0
205.15924	17.6
221.15459	26.6
231.13937	24.2
249.14943	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	249.1495
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
50.74632	1.8
52.74789	1.9
55.93920	1.8
56.86929	1.8
56.89337	1.6
57.19114	1.6
58.31992	1.7
59.01372	3.4
65.32438	1.8
72.82076	2.0
73.59253	1.9
76.94205	2.1
79.90713	2.6
89.49076	2.2
99.04520	8.4
131.08673	2.2
133.10229	2.7
185.40047	2.1
187.14949	21.7
231.13849	8.9
249.14941	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70761	0.9
84.13099	1.0
92.19386	2.3
95.63670	0.9
147.11803	8.6
149.13344	7.1
172.60019	1.2
191.14442	4.6
205.15990	100.0
212.78064	1.0
219.13866	1.7
221.15446	11.2
237.14877	1.8
249.11259	4.6
249.14972	82.9
261.93759	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	249.1494
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
51.35765	0.6
59.01342	0.9
78.21580	0.7
85.61095	0.7
87.54567	0.7
97.06496	0.7
110.34150	0.8
121.06248	0.8
126.95122	0.7
133.64926	0.8
147.11790	7.8
149.13339	4.5
168.95229	0.8
179.14529	0.8
189.12856	3.6
191.14488	1.6
205.15981	100.0
219.13948	1.0
221.15480	9.7
249.14960	75.0
266.94983	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	249.1497
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
57.96214	0.6
58.42975	0.7
64.04993	0.7
71.05008	0.7
71.27731	0.7
123.09847	0.8
147.11781	7.5
149.13387	6.4
163.11301	1.0
179.14400	1.9
189.12721	0.9
191.14476	6.3
193.12347	1.1
203.14473	1.1
205.15991	100.0
219.13841	1.4
237.15012	1.7
249.14970	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.32547	0.8
57.51804	0.8
59.01375	3.3
142.05792	0.9
177.12936	1.0
191.05644	4.1
199.85860	0.9
205.15982	51.8
225.93271	0.9
249.14946	100.0
249.18579	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01379	3.9
62.20784	0.5
83.05014	0.7
84.21688	0.6
117.55528	0.7
205.19621	1.0
247.16864	0.8
249.18607	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61910	0.4
58.02980	18.9
70.02976	9.6
72.00909	3.2
80.36439	0.5
91.00769	0.5
91.05529	19.1
99.90345	0.4
130.79398	0.6
147.04524	31.9
162.09344	0.8
164.07179	100.0
206.08241	59.7
265.18018	0.5
269.45734	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	250.1083
Annotation	3097C2
Peak:m/z	Relative Intensity
52.77762	0.6
54.60228	0.6
59.01385	83.0
68.69845	0.7
70.88968	0.6
72.99306	38.1
91.05527	1.0
99.25039	0.8
100.80446	0.7
101.03960	3.1
119.05014	7.8
128.66399	0.8
146.81781	0.8
162.09244	4.4
190.08748	40.5
208.09798	100.0
250.10690	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	250.1084
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
68.79830	0.9
69.03461	1.4
69.26933	1.0
71.55057	1.2
72.99309	67.1
72.99725	2.5
73.51458	1.1
77.71175	1.2
85.06552	1.6
86.06104	14.5
87.04514	18.2
97.08064	1.1
111.98791	1.1
118.06631	1.9
119.05009	8.5
132.04559	3.0
132.06102	1.2
133.33607	1.1
134.06137	11.6
144.04549	8.0
162.05591	8.8
174.09361	1.3
176.10796	15.6
180.06651	17.1
183.29044	1.3
204.10324	27.5
232.09839	8.8
250.10849	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	251.1652
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
51.50110	0.5
54.06646	0.6
55.44602	0.6
65.92326	0.7
83.05025	3.4
85.80961	0.6
87.34740	0.7
123.99147	0.7
163.11285	1.5
179.14430	1.0
191.14441	9.2
205.13126	0.8
205.15999	54.1
207.17564	100.0
225.18622	9.3
251.16554	37.8
251.19206	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01377	2.4
68.41297	0.4
74.95648	0.5
77.10225	0.5
83.28130	0.4
168.62500	0.5
233.19095	0.8
251.20175	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	252.0513
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
56.87994	0.4
56.96372	0.4
59.70570	0.4
71.01375	6.1
83.66940	0.6
87.00651	0.5
88.04041	2.1
92.47233	0.4
93.03459	8.8
96.35925	0.5
115.00365	12.1
118.02983	7.9
121.02969	0.6
132.03040	4.4
136.04042	100.0
137.02452	6.0
146.06104	2.0
153.29822	0.5
162.86011	0.6
164.07158	9.9
174.10207	0.5
208.06145	8.3
234.04051	1.0
252.05135	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92358	1.6
59.01385	100.0
63.94765	1.3
85.02947	2.5
96.07813	1.8
125.02499	2.2
149.96986	1.5
161.04584	18.7
193.07182	24.7
273.22925	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	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.33648	0.4
53.70886	0.4
53.85295	0.4
58.18367	0.4
59.01380	2.1
59.19381	0.4
66.99394	0.5
72.75771	0.5
87.69309	0.5
97.06602	0.5
232.11143	0.6
235.20767	0.5
245.00591	0.5
253.21730	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	253.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62603	0.3
50.77837	0.3
56.66413	0.3
59.01379	1.8
66.60007	0.4
69.32034	0.3
71.68951	0.4
79.94897	0.4
81.45081	0.3
89.53407	0.4
99.60680	0.4
102.96940	0.4
122.90965	0.3
143.50813	0.4
143.52109	0.3
180.91153	0.4
186.83017	0.4
193.07159	0.6
235.20450	0.4
238.45580	0.4
253.21729	100.0
273.82535	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	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44118	1.1
53.46546	1.4
58.00611	2.2
59.01370	1.6
72.99305	29.3
74.83468	1.3
87.00875	17.0
93.03488	4.8
107.05009	9.8
109.02888	1.7
113.36811	1.3
119.48833	1.2
123.04527	85.5
128.04323	1.4
133.02953	6.5
135.04504	2.4
147.04544	3.1
148.01665	11.8
149.06084	26.9
150.03212	2.3
153.05602	12.4
163.03983	9.6
165.04173	2.9
165.05573	81.4
175.04140	1.6
179.03523	20.3
181.05107	1.8
193.05093	24.9
195.03003	19.3
207.02977	3.0
225.04065	25.7
237.03961	2.3
255.05136	100.0
255.23346	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	255.0511
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
54.50367	0.8
56.80039	0.8
58.00602	3.9
58.52554	0.8
59.01382	1.6
60.46090	0.7
72.99308	43.7
75.00870	3.2
93.03456	10.9
94.23837	0.8
99.00890	1.9
103.16375	1.0
107.05032	19.2
119.05019	1.3
121.02943	2.1
131.05026	3.8
133.02960	8.3
135.04512	2.0
137.06102	1.5
147.04547	5.0
149.06062	9.8
163.03973	1.6
165.05568	100.0
175.04027	0.9
179.03513	26.4
193.05061	20.8
255.05122	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45580	1.1
56.48606	0.9
70.34431	1.0
72.99291	9.3
73.14889	0.9
87.00871	19.1
93.03461	1.4
97.00726	0.9
98.36498	0.9
107.05026	2.4
107.68066	1.0
121.02930	1.4
122.03708	1.4
123.04511	100.0
131.05032	1.3
149.06076	31.5
150.03230	4.0
151.04027	1.5
165.05560	48.4
167.03560	1.6
179.03477	6.2
193.05070	22.5
195.03008	28.3
219.03044	1.6
235.81963	1.2
237.04059	1.7
255.05098	84.3
255.23244	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08566	1.0
58.00582	4.9
59.01397	1.9
72.99303	42.8
75.00903	1.6
92.20217	1.8
93.03455	10.7
99.00903	2.0
106.69345	1.1
107.05038	18.2
119.05003	1.3
121.02970	2.5
131.05067	1.2
133.02936	7.9
135.04530	4.2
140.37592	1.1
142.31555	0.9
147.04521	6.5
149.06079	8.7
154.53214	1.2
163.04054	1.8
165.05569	100.0
169.14233	1.2
175.03966	1.1
179.03497	31.0
193.05061	26.2
210.90842	1.4
251.02081	1.0
255.05127	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.051
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
57.50126	0.8
58.00598	4.6
59.01380	4.4
72.99309	37.9
75.00880	1.6
92.95408	1.0
93.03449	10.8
95.15599	1.0
99.00875	1.9
106.04202	1.6
107.05021	17.3
116.68903	1.3
119.04963	1.6
121.02983	1.9
123.04537	1.0
131.05060	2.3
133.02956	4.8
135.04527	1.8
137.06093	1.1
147.04512	4.8
147.52216	1.0
149.06134	11.0
163.03996	1.3
165.05569	100.0
179.03503	29.1
193.05006	17.8
199.61044	1.1
209.04619	1.4
211.06087	1.3
212.06053	1.1
251.17656	1.4
255.05127	62.0
273.45746	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	255.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42129	0.6
57.03431	0.7
59.01376	3.3
65.72157	0.7
72.41702	0.8
72.99303	1.3
78.95900	5.1
85.02948	1.8
96.95988	1.7
97.02963	1.5
102.26752	0.8
103.79754	0.8
104.92908	0.8
109.02943	1.0
110.02441	1.2
119.04987	1.2
121.06620	1.0
121.26423	0.8
122.06081	4.6
123.04539	3.3
125.03562	100.0
126.70612	0.8
129.01933	5.9
135.04532	1.0
139.04037	3.9
149.02396	1.1
149.06059	1.9
150.05620	1.9
151.03954	1.4
159.04456	0.9
167.03436	1.5
189.05504	1.1
193.01463	1.6
193.04901	1.6
193.06378	1.3
194.92740	3.5
195.65755	0.8
207.06577	1.1
211.06078	0.9
225.07602	2.8
237.04065	0.9
251.40813	0.7
255.06087	20.4
255.08844	2.7
255.23299	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	9.9
59.01383	1.4
62.94220	1.4
71.01386	8.1
72.02161	5.4
73.02962	9.1
84.02177	1.8
85.06591	12.8
88.58607	1.3
95.05006	5.1
108.29137	1.2
108.57636	1.2
111.08155	1.8
121.06592	1.4
123.04501	11.2
123.08159	10.6
125.02424	1.6
125.09756	1.8
131.08682	2.2
137.09724	15.6
139.07660	4.6
139.11299	9.2
141.09239	14.0
149.08598	2.2
149.09727	43.0
151.04012	2.3
151.07707	2.4
163.07742	1.3
165.12827	2.0
167.03563	2.8
167.10780	55.3
175.11308	4.8
178.99855	1.4
179.03528	1.7
181.01437	2.0
181.12347	21.5
183.03033	1.7
183.13927	5.3
193.12349	18.7
203.34238	1.5
209.08212	4.4
211.06342	1.5
211.09952	14.8
211.13416	77.4
220.26784	1.2
255.05092	6.0
255.08824	10.6
255.12393	100.0
255.23308	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.233
Annotation	Palmitic acid
Peak:m/z	Relative Intensity
51.46779	0.2
51.82359	0.2
74.16017	0.2
85.28892	0.3
127.02160	0.3
147.25922	0.2
155.96246	0.3
184.68874	0.2
184.70564	0.3
196.82968	0.3
237.22260	0.5
255.23306	100.0
272.12756	0.3
277.57605	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	256.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15773	0.6
58.00599	4.0
59.01379	2.9
60.01699	0.6
64.54974	0.6
66.61065	0.6
72.99304	41.8
73.99649	9.7
75.00861	2.9
77.40705	0.7
84.50336	0.6
87.00911	0.8
91.62170	0.6
92.20075	0.7
93.03458	4.9
94.02997	1.1
94.03794	6.8
99.00890	3.4
100.01221	1.1
106.04269	0.9
107.05074	7.9
108.05356	13.0
120.05386	1.3
121.02940	0.7
122.03303	1.8
126.05575	1.0
131.05057	0.7
132.05344	1.2
133.02965	1.0
134.03287	6.6
135.04561	1.2
136.04874	4.0
147.04466	0.7
148.04860	4.5
149.06024	1.0
150.06412	10.9
164.04279	1.8
165.05573	22.9
166.05901	100.0
179.03482	7.7
180.03841	27.7
180.05338	1.5
180.57704	0.7
182.06837	0.7
193.05093	1.5
194.05411	23.6
199.54539	0.8
207.53981	0.7
210.04938	1.1
212.06548	0.9
212.09431	1.3
224.68240	0.7
229.51570	0.8
256.05460	88.0
256.23602	7.8
257.21680	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	257.0821
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
57.73682	0.3
61.70829	0.3
78.62529	0.3
92.19445	0.8
169.10275	0.7
213.09219	100.0
257.08191	18.7
257.11731	1.4
257.15454	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	257.1031
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
63.90171	1.2
69.03454	1.2
79.64159	1.2
93.03438	2.1
100.69048	1.0
137.02409	1.8
169.12344	100.0
174.27367	1.1
191.65747	1.1
195.10262	9.9
213.09300	2.0
213.11336	50.3
217.84348	1.1
241.01787	1.1
257.04510	2.5
257.10303	22.5
257.13126	1.6
257.13876	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	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66249	0.8
59.01109	1.2
59.01386	30.8
74.39292	0.9
87.04548	1.0
97.02710	0.8
107.90807	1.0
119.55894	1.0
125.77938	0.9
153.12840	7.2
177.12848	5.8
195.12209	1.8
195.13904	41.6
197.11838	100.0
221.11890	1.1
239.12881	13.3
257.13950	67.1
270.84253	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50898	0.8
54.38673	0.6
59.01382	16.1
59.72144	0.7
65.75146	1.0
65.75493	0.6
73.95737	0.7
92.19491	0.8
153.12799	0.8
169.12363	10.0
179.10840	1.3
195.13901	34.9
197.11830	100.0
202.05952	0.8
207.48305	0.8
239.12830	5.1
257.13950	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01380	2.0
73.02943	6.7
85.02945	1.7
85.73957	1.9
97.06633	1.8
99.04523	2.4
104.71349	2.0
117.07105	7.4
117.76160	1.7
133.10249	24.6
139.62056	1.7
141.09221	2.7
144.10454	2.1
151.11282	34.8
167.10762	7.0
169.12297	3.0
173.02487	2.0
175.92389	2.0
177.02023	2.0
177.12701	1.9
179.10756	2.6
185.08160	3.4
186.03201	2.1
195.13898	12.4
213.11356	1.8
213.14867	1.9
214.02721	31.4
217.01416	2.7
239.09032	2.3
239.12871	2.3
242.02242	26.0
257.04584	48.2
257.10217	11.9
257.13962	100.0
266.22803	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	257.2123
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
57.35066	0.8
58.43331	0.9
59.01391	1.1
67.72894	1.1
69.03389	0.9
78.91085	0.9
86.70657	1.2
113.09708	1.8
127.11235	1.6
140.92883	1.0
153.46831	1.0
199.42825	1.1
202.59801	0.9
211.20667	2.5
239.20059	1.4
255.19556	1.3
257.21231	100.0
258.02744	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	259.0224
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
52.67952	0.5
58.22741	0.5
78.95908	100.0
96.68449	0.6
96.96960	98.0
100.42509	0.6
138.98038	7.3
168.99020	4.2
175.48474	0.6
176.71263	0.6
199.00101	4.3
240.91615	1.1
258.92676	0.9
259.02237	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0248
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
51.40985	0.2
53.60347	0.2
66.91788	0.3
68.64421	0.3
73.77350	0.3
82.91897	0.3
92.19452	0.3
123.05807	0.3
143.05020	0.6
153.09279	0.5
159.04506	1.2
161.02571	0.3
163.03975	0.4
169.02856	0.3
170.03677	0.6
171.04562	1.1
174.03481	0.3
187.04063	3.4
189.01939	0.5
191.03523	7.2
203.03442	2.1
213.01923	0.3
214.02600	0.5
215.03519	7.0
215.07115	0.5
217.01411	0.7
230.02228	1.7
231.03009	9.8
238.17383	0.3
241.01390	0.6
242.02260	1.2
258.01715	1.0
259.02487	100.0
259.15610	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	259.0247
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
64.05408	0.3
67.32602	0.3
89.51152	0.3
92.14349	0.3
139.89806	0.4
159.04523	0.5
187.04073	2.7
191.03476	1.4
203.03491	0.5
215.03516	6.0
217.01453	1.5
231.02885	1.6
259.02478	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	259.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
67.71190	1.0
69.03444	1.1
71.01379	7.9
73.02938	1.2
78.95441	1.8
78.95910	46.8
81.03452	2.8
83.01389	11.0
83.05026	37.5
83.05493	2.2
85.02963	2.6
93.03444	6.8
96.96958	21.5
97.02953	12.8
99.00878	66.1
109.02927	1.9
111.04517	100.0
112.04026	2.6
115.52766	1.5
123.04499	2.4
125.02377	1.7
128.03448	1.8
130.08678	4.6
137.02441	1.6
138.98047	1.9
141.05537	1.9
145.06270	1.1
153.05589	1.2
155.03500	85.4
159.02983	23.2
171.15025	2.3
199.02509	2.3
213.05254	7.9
215.05644	6.6
217.21666	1.3
241.01010	1.4
241.04567	1.5
246.00204	1.2
259.02170	22.6
259.04636	24.7
259.12964	2.7
274.42789	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	259.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39085	0.3
51.50299	0.3
66.52904	0.4
71.00997	0.3
71.01379	1.5
74.02471	0.9
78.95910	11.4
83.01395	0.4
83.05046	0.4
87.05592	0.5
89.51450	0.4
96.04535	0.5
96.96964	5.8
97.02950	1.4
99.00879	100.0
111.04517	0.7
115.04027	0.7
123.01683	0.4
127.01427	0.4
155.03471	3.7
159.02986	44.1
199.02483	0.8
213.05170	2.5
215.05797	0.4
259.02161	4.7
259.04572	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	259.061
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
57.85468	1.4
63.24752	1.2
91.10144	1.2
104.48368	1.3
104.74998	1.3
109.02933	9.0
117.50584	1.5
121.02963	6.2
124.01646	5.7
125.02426	12.2
137.02470	11.3
147.04497	2.5
150.03241	10.4
151.04034	2.4
160.05280	1.4
161.02417	2.1
161.06149	2.4
171.08182	11.6
172.05357	6.5
173.06081	6.0
174.03221	16.7
175.03984	28.4
177.01939	2.0
185.06136	2.0
187.07683	1.7
188.04782	9.2
189.05557	25.4
189.09294	4.7
191.07118	5.7
197.06209	2.3
203.07047	1.5
213.05573	5.8
215.07169	13.0
216.04242	16.8
217.05067	33.0
231.06529	12.8
235.94102	1.3
241.05110	14.0
259.06125	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	259.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52837	1.5
87.07741	1.8
97.64291	2.0
102.25454	1.8
121.88889	2.0
123.69756	2.0
138.45053	1.9
155.27910	2.1
156.05795	9.8
159.04521	11.5
171.04630	2.4
171.08159	100.0
172.05331	3.1
187.03911	2.2
187.07664	3.0
189.09232	42.6
191.03529	4.3
215.03615	4.4
215.07153	77.3
216.00545	2.5
231.03038	3.9
238.32338	2.1
241.05107	3.7
244.03786	2.9
258.99750	2.6
259.02435	55.7
259.06070	39.6
262.01941	1.9
277.81635	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	259.0611
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
54.23047	0.8
60.18761	0.8
65.00325	3.4
81.03463	5.5
83.01389	5.7
85.82935	0.8
92.20100	1.6
93.03458	5.5
107.01395	10.5
121.02935	0.9
124.01687	1.0
125.02448	23.2
125.35530	0.9
133.02946	3.8
151.00360	26.5
152.01167	1.8
158.03661	1.4
171.08118	1.1
172.05334	4.3
173.06076	13.3
175.04015	4.8
187.07628	1.1
193.08522	0.8
194.40459	0.9
197.06085	1.1
200.04723	1.5
213.05626	1.5
215.07162	14.5
241.05080	6.2
258.73196	0.9
259.06113	100.0
268.67514	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	259.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16642	0.4
57.57484	0.4
67.44645	0.5
73.21072	0.4
74.31990	0.5
78.12034	0.5
102.81765	0.5
109.64204	0.5
117.89341	0.5
150.93231	0.5
156.05814	8.3
159.04501	4.7
171.08163	100.0
172.05307	0.8
189.09233	40.1
215.07156	62.1
231.02921	0.8
259.02496	10.5
259.06113	17.0
264.87769	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77923	0.5
55.84626	0.4
79.31644	0.5
81.03455	3.1
83.05025	51.8
98.02475	9.7
101.06079	48.6
101.06768	0.8
127.04018	6.1
130.05096	2.7
131.07152	3.2
145.05069	100.0
185.11871	1.1
202.08365	0.5
231.03223	0.5
259.02460	11.5
259.11719	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	259.1298
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
59.01371	0.7
64.86559	0.4
72.99341	0.5
74.02464	0.4
82.02990	3.0
84.04560	1.7
92.19438	0.9
109.04910	0.4
112.04031	0.8
113.63883	0.4
127.05096	0.7
128.03543	100.0
130.08739	81.5
130.41122	0.4
141.10384	1.7
151.08751	0.4
153.09242	0.8
153.10341	0.9
160.01674	0.7
166.62680	0.5
169.13478	0.5
171.15092	0.5
175.04007	4.3
179.11929	3.7
197.08253	0.6
197.12984	12.7
223.10893	9.1
231.11316	0.6
241.11963	17.9
259.02484	0.9
259.06046	1.0
259.08481	0.7
259.10883	0.5
259.13104	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	261.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84845	0.6
59.01369	1.8
61.09614	0.6
65.47072	0.7
71.01373	1.4
72.99331	0.9
73.65824	0.8
78.91879	4.3
78.95912	15.8
80.78233	0.7
89.02429	1.1
96.96010	100.0
96.96934	16.8
101.02421	1.2
101.17775	0.7
110.89885	1.2
110.98589	0.9
115.45011	0.7
134.91238	0.8
141.15694	0.8
162.96478	2.8
164.50604	0.7
178.95963	4.7
178.97771	4.1
181.07156	3.4
186.95589	0.7
259.17764	0.8
261.02847	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0405
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
58.43534	0.5
59.01369	3.2
67.01884	0.5
83.35418	0.5
96.95993	0.7
97.42170	0.5
109.02958	0.7
109.92217	0.6
119.05030	0.9
123.04515	1.2
124.01677	3.4
125.02446	4.3
145.02980	1.0
146.03740	2.2
147.04501	5.5
149.02446	8.9
151.04053	0.8
161.02429	1.1
161.06084	2.8
163.03999	2.1
165.05577	9.7
171.04570	0.7
173.02390	1.1
173.09712	0.7
174.03215	3.0
175.03990	14.2
177.01932	1.2
180.17354	0.6
188.04665	0.7
189.01897	0.9
189.05574	6.9
189.82797	0.6
191.03522	10.1
191.07147	0.9
193.04948	0.7
202.02707	0.7
205.05046	2.1
215.03508	1.0
217.01538	1.0
217.05060	4.1
217.12349	1.3
233.04555	100.0
243.02972	7.4
261.04044	55.4
261.11270	1.0
261.13574	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	261.0767
Annotation	Buntansin B
Peak:m/z	Relative Intensity
52.57534	0.7
54.04552	0.8
64.68280	0.7
69.19793	0.8
81.03471	1.4
93.03444	1.0
95.05026	1.0
97.02966	1.4
109.02968	1.0
119.05052	1.3
123.04469	1.0
124.01621	1.2
125.02454	3.3
130.25075	0.8
133.06552	1.6
135.04533	2.1
137.02455	10.6
138.03247	1.6
139.03987	3.8
149.06078	4.3
158.03688	1.1
159.04524	4.4
160.05310	0.9
161.02437	3.2
161.06023	1.0
163.03983	3.3
173.06052	5.5
175.03969	6.3
175.07597	1.5
176.04768	3.7
177.01913	6.2
177.05569	9.3
178.02800	3.7
181.05035	7.3
189.05550	1.8
191.03511	3.5
191.07169	3.7
195.97977	0.9
200.04788	1.3
201.05528	6.2
203.03522	7.3
204.04268	19.7
215.07005	1.8
217.05151	1.1
218.05794	3.8
219.06625	67.4
233.08244	1.9
243.02863	1.0
243.06677	8.4
261.00729	7.4
261.07678	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	261.0766
Annotation	Buntansin B
Peak:m/z	Relative Intensity
56.16982	0.8
58.02966	1.7
59.01377	1.1
63.92115	0.9
64.81068	0.8
74.02449	1.1
81.03429	1.7
85.82182	1.0
92.05027	1.3
95.04997	2.0
97.02943	1.4
99.08123	1.9
109.02888	1.3
116.03563	1.1
123.00879	1.3
125.02407	1.4
128.03484	3.9
131.03732	2.2
132.04535	7.5
137.02417	10.4
139.03947	4.7
143.07120	2.0
144.04460	1.5
146.03629	1.1
149.06067	2.0
157.07646	4.4
158.06049	3.9
159.04547	3.3
161.02338	3.8
162.03110	1.6
163.03941	1.2
173.06001	1.4
175.03943	6.1
175.08693	4.3
176.04738	1.5
177.01871	5.4
177.05540	9.0
177.19019	0.9
178.02614	2.2
181.04941	1.6
189.05557	1.2
191.03471	2.3
191.07094	1.9
200.04654	1.4
201.05486	3.9
203.03516	11.6
204.02744	1.1
204.04274	16.9
215.07133	2.3
217.04985	1.7
218.05856	4.0
219.06573	70.5
233.08072	1.9
243.06580	6.5
261.00616	2.0
261.07590	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	261.088
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
56.10770	1.0
57.83876	1.1
58.02972	1.8
59.01390	2.8
65.85120	1.3
70.02976	13.4
72.04545	5.9
72.35875	1.5
74.02471	100.0
79.82333	1.3
84.04564	1.5
92.19424	4.6
98.02468	28.4
99.08141	13.1
116.03529	67.9
128.03532	11.5
131.03728	2.6
132.04555	43.8
134.11911	1.3
143.07126	20.9
144.04550	8.9
157.07689	5.4
158.06067	5.0
173.07230	2.0
175.08730	7.3
179.29013	1.3
201.06723	14.3
214.46460	1.3
219.07744	7.4
261.08810	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1131
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
57.03442	4.0
59.63721	1.9
81.03468	2.6
89.59188	2.0
97.02956	2.7
97.06602	3.1
106.95489	2.1
137.09688	13.5
147.08124	9.3
147.11816	3.7
151.07655	3.8
155.80568	2.0
161.06052	2.8
161.09702	2.8
162.06848	10.0
171.11810	3.4
173.09677	4.6
175.11261	4.9
184.08934	29.9
187.11314	3.1
189.12837	15.6
199.11319	36.2
201.09201	11.2
202.09944	18.0
215.10793	16.7
217.12337	100.0
243.10229	3.7
261.11353	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1132
Annotation	Parthenin
Peak:m/z	Relative Intensity
62.30463	0.3
67.01886	0.8
75.06592	0.3
97.06573	0.5
98.96801	0.4
107.65836	0.3
116.58756	0.4
124.15289	0.3
129.78534	0.3
147.08165	0.6
148.63426	0.4
161.02437	0.5
163.04013	1.9
187.07735	0.3
189.12854	2.9
201.46231	0.4
202.10112	0.5
211.24611	0.3
217.12337	10.4
233.11844	1.5
246.09023	1.3
261.11328	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	261.1343
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03453	1.5
58.22379	0.7
59.01105	1.1
59.01385	23.7
62.73969	0.7
63.81352	0.7
65.60506	0.8
71.01377	5.2
71.05020	3.7
73.02948	1.6
74.02454	1.7
75.15079	0.9
83.01362	1.2
89.02446	4.4
92.19437	1.6
97.06561	1.8
99.08154	1.7
101.02441	10.3
105.01927	12.9
111.08128	1.2
115.07639	1.5
116.03532	1.1
119.05048	3.3
125.09668	1.3
127.07670	8.1
127.11232	1.7
129.09218	17.4
137.09666	3.6
139.07625	5.8
139.11292	14.3
141.05576	5.6
143.07146	1.3
144.60960	0.8
153.09196	3.2
153.12918	1.2
155.10779	5.2
157.08716	17.3
157.12367	7.7
159.06586	1.1
163.04037	1.8
173.06033	1.3
173.08191	7.3
181.08742	2.0
181.12346	9.1
183.10204	8.1
197.11754	1.2
198.29517	0.9
199.09889	2.6
199.13405	19.8
201.11343	100.0
243.12402	15.3
261.08914	3.4
261.13425	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03443	1.5
59.01379	26.9
71.01381	4.5
71.05000	4.6
73.02951	1.9
74.02472	9.8
88.68140	1.1
89.02449	1.4
89.57044	1.1
97.06564	1.8
98.02454	1.9
99.08128	1.1
99.88548	1.1
101.02435	6.5
104.71503	1.1
105.01932	5.9
109.71043	1.0
111.08139	1.3
116.03504	2.4
119.05044	2.7
125.09698	1.3
127.07633	2.1
127.11266	4.3
129.09245	11.0
131.03764	2.0
132.04550	7.2
137.09682	2.2
139.07639	2.7
139.11281	15.4
141.05569	1.3
143.07109	1.9
155.10892	1.5
157.07689	1.8
157.08720	12.8
157.12329	6.9
159.06517	1.5
163.03967	2.2
173.06023	1.6
173.08214	4.5
175.08763	1.9
181.05139	1.9
181.08701	2.1
181.12340	7.3
181.27071	1.4
183.10278	9.2
187.09760	1.3
199.13417	19.7
201.11342	99.3
219.07733	1.5
243.12415	13.2
261.00888	1.5
261.08798	8.5
261.13422	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	262.1083
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
53.63910	1.0
55.01875	2.0
58.88013	1.0
72.99307	85.7
94.29219	1.0
98.06100	9.9
99.04521	23.6
119.05030	15.6
131.97446	1.2
132.04536	1.8
134.06093	2.7
172.11253	1.4
182.64034	1.1
188.10823	18.4
198.09244	1.3
216.10335	23.9
244.09814	6.9
262.10852	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	262.1085
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
55.01880	1.6
55.79990	0.7
58.71872	0.7
72.99309	77.9
79.80843	0.9
85.36883	0.7
92.20049	0.8
98.06104	11.8
99.03934	1.1
99.04523	21.6
104.05042	1.4
110.06104	0.9
112.61320	0.8
119.05026	11.0
126.10037	1.0
132.04466	1.0
134.06099	1.7
144.04594	1.2
149.12857	0.9
160.07640	0.8
172.11285	1.0
180.06793	1.1
188.10812	15.4
200.10764	0.9
216.10301	21.3
242.17224	0.7
244.09850	9.2
262.10852	100.0
263.59485	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	263.056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71849	0.4
59.01099	0.9
59.01381	14.6
90.25321	0.5
92.19444	1.5
100.06731	0.6
109.41210	0.6
109.94934	0.5
111.70962	0.5
129.69814	0.6
132.02170	3.0
143.05032	0.9
145.02936	1.0
145.06586	1.3
146.03725	2.8
147.04535	5.3
147.08167	0.8
148.01671	3.7
149.02420	3.2
158.03735	0.6
159.04510	41.2
160.05292	40.1
161.02431	0.8
166.56992	0.6
174.03201	4.2
175.04008	14.3
175.07640	20.9
204.04280	1.4
219.06624	100.0
219.13828	1.9
245.00841	2.5
246.21019	0.6
263.02020	2.1
263.05515	4.2
263.08762	0.7
263.12943	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	263.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
59.04710	1.0
60.21244	0.8
71.01371	7.3
80.91683	2.0
83.01419	1.2
85.01462	4.2
85.02958	1.0
89.02428	1.4
98.99380	2.3
101.00960	8.3
113.00977	1.2
115.02467	1.2
117.00424	10.0
121.02979	2.2
123.03036	9.0
125.00948	16.2
131.70740	0.9
141.00446	39.0
143.01985	1.3
144.99858	1.1
153.00418	1.0
155.02019	21.8
167.01999	44.3
167.03340	2.0
171.01512	24.3
178.93082	1.0
183.01476	12.0
185.03090	4.3
195.01434	5.7
203.04161	15.5
221.05011	1.2
245.05171	22.9
263.06232	100.0
267.22635	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	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54733	0.3
74.33555	0.3
82.48363	0.3
84.54230	0.3
99.08156	24.2
101.09710	1.9
110.61341	0.4
113.02459	1.5
120.09740	0.3
127.07664	1.4
135.03040	0.6
143.07133	0.6
145.08707	100.0
149.89685	0.3
219.06613	0.4
263.05710	0.8
263.11423	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	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01878	8.6
57.03453	3.6
59.01105	2.3
59.01388	49.6
59.03375	1.3
61.96421	1.4
69.03468	2.2
71.01382	100.0
71.05017	24.0
71.24532	1.5
72.99305	2.4
73.02945	38.3
73.06586	6.9
75.00885	2.9
77.84369	1.4
83.01394	12.3
83.05042	15.3
85.02947	63.4
87.00863	2.1
89.02445	14.7
95.01391	9.4
99.00874	14.7
101.01803	3.5
101.02442	67.3
101.05465	3.1
101.06087	69.6
113.02448	51.6
119.03433	5.7
127.26327	1.9
133.01405	2.1
139.00386	1.9
143.03450	1.7
147.06633	8.9
154.91356	1.7
159.02988	7.4
161.04547	25.0
194.30530	1.7
203.03581	3.7
205.04947	1.9
263.05630	9.6
263.11346	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	263.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09960	0.2
64.63744	0.2
96.49303	0.3
97.06614	0.3
99.08157	5.5
101.09668	0.3
117.01907	0.3
127.07684	0.4
143.07138	0.7
145.08708	100.0
163.31815	0.3
173.40997	0.3
212.72443	0.3
214.79813	0.3
248.03609	0.3
263.05606	0.7
263.11377	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	263.1288
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
64.43768	2.1
71.04894	1.9
75.21095	1.9
83.89695	2.2
97.02937	10.1
108.05798	8.6
109.02951	9.3
109.06611	2.1
111.04504	12.9
113.06071	4.7
113.18873	2.0
119.08700	2.5
119.95570	2.1
121.06583	3.1
122.03733	9.3
123.08102	4.2
125.06075	35.4
136.05313	10.9
137.06090	3.9
138.06863	23.8
139.07645	34.9
141.24179	2.1
148.05296	8.2
151.07651	66.9
152.04829	7.1
152.08412	33.3
153.09213	34.8
161.09779	4.3
163.07651	14.0
167.07190	2.6
186.10527	2.8
201.12848	39.2
203.10840	17.7
204.11572	91.4
219.13892	100.0
219.15919	4.5
263.12900	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	263.1288
Annotation	Dendocarbin G
Peak:m/z	Relative Intensity
50.49647	1.0
61.42297	0.9
69.03445	6.6
93.03442	1.5
97.02943	18.1
107.04990	1.2
109.06590	1.6
124.93022	1.0
137.06082	2.3
137.09735	1.8
139.68468	1.1
153.31367	1.2
161.09731	2.3
165.09250	1.9
170.00238	1.1
171.11868	1.8
173.09648	1.9
175.07646	17.9
175.11264	20.3
189.12872	28.3
191.10837	1.9
191.14398	9.5
193.08659	1.7
201.12820	10.8
203.10770	14.6
204.11539	1.9
214.00055	1.2
217.12421	1.7
219.13904	92.5
227.06201	1.3
233.37637	1.1
234.85799	1.2
245.11806	2.3
263.12897	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	263.1289
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
50.87503	2.7
56.62528	1.9
59.01398	2.4
63.48906	2.4
71.01400	2.8
72.82204	3.1
78.71263	2.5
85.25436	2.5
97.02950	5.2
101.06099	2.8
108.05835	4.4
111.04553	5.2
113.06087	5.4
115.07633	4.0
122.03703	4.1
123.08144	12.2
125.06102	22.7
136.05324	10.8
137.06122	5.4
138.06856	19.8
139.07635	33.4
148.05307	5.3
149.06044	4.0
151.07668	58.3
152.04828	4.5
152.08414	29.7
153.09135	18.1
161.09764	3.7
163.07628	5.8
201.12822	26.7
203.10782	13.1
204.11559	76.8
219.10381	5.7
219.13910	100.0
229.27771	2.8
263.12915	46.7
264.24927	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	263.1289
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
60.06783	0.7
61.19327	0.7
82.83353	0.7
98.12860	0.9
119.08624	1.1
121.02958	0.8
121.06573	0.8
125.06103	1.5
136.05325	3.7
145.02992	0.8
148.05301	1.5
151.07675	0.9
152.08429	4.2
161.09775	1.4
163.07622	1.3
164.08411	1.1
185.09709	1.3
186.10536	3.5
188.08397	0.7
189.09244	4.0
201.12866	21.0
203.10797	13.3
204.11563	63.9
218.02278	3.1
219.13901	43.1
238.56392	0.7
248.89270	0.9
258.06305	0.8
263.12897	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	263.1289
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
57.48758	1.1
65.89318	1.0
66.98199	1.1
69.03462	2.2
71.67090	1.0
93.97609	1.2
97.02921	5.0
101.10751	1.2
137.06117	2.2
175.07626	8.7
175.11304	7.2
189.12872	12.5
191.10822	6.8
191.14424	6.1
194.70122	1.2
196.52988	1.4
201.12811	2.5
203.10820	7.0
204.11555	1.3
217.12344	3.0
219.10445	1.3
219.13922	50.6
263.12900	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	263.1288
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
63.32410	0.7
70.15356	0.6
75.79332	0.8
82.15509	0.5
127.24082	0.7
157.10280	5.5
175.14941	2.8
203.10828	14.2
219.13907	100.0
248.15601	0.7
263.12903	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
53.19944	1.1
59.01373	8.0
59.60974	1.4
63.42974	1.4
70.41776	1.3
71.05018	70.4
89.45073	1.7
97.06587	23.3
121.74890	1.7
123.08157	6.5
129.49594	1.4
135.11809	2.9
147.11824	1.9
150.80632	1.4
169.32755	1.3
179.10715	2.2
191.10796	6.8
199.18687	1.6
207.13936	5.5
219.17546	16.3
222.99979	1.3
245.15504	1.4
263.16519	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	263.1652
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
51.40042	0.9
57.03458	2.1
59.01394	3.9
64.65411	1.1
65.24891	1.1
69.59464	1.0
83.05056	1.5
93.03447	4.0
95.05029	5.6
97.06589	26.7
113.09736	2.6
120.02160	1.1
121.09410	1.4
121.10231	22.9
135.08170	1.2
147.08156	6.6
157.08708	12.0
165.12868	2.3
169.08664	1.3
184.65460	1.5
219.13910	66.5
219.17322	2.5
245.15466	2.5
263.12912	37.2
263.16504	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.54331	0.5
51.09394	0.5
52.57526	0.5
54.05969	0.5
54.44658	0.5
57.11559	0.5
58.57444	0.5
58.84111	0.5
59.01378	0.8
83.00488	0.5
100.21901	0.6
134.53117	0.6
135.51154	0.6
219.17529	2.6
223.78154	0.6
245.19051	1.0
261.18732	0.7
263.16733	6.1
263.20157	100.0
282.74661	0.6
284.70981	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47280	0.4
82.34988	0.6
87.77631	0.6
91.05521	5.3
92.19555	0.6
101.69032	0.5
102.05607	48.6
128.03537	54.8
135.04503	2.8
146.04590	100.0
171.31042	0.6
246.07648	1.2
264.06171	1.1
264.08768	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	264.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05120	1.7
59.85227	1.7
72.99307	64.4
84.30943	1.7
85.14730	1.7
100.07664	15.0
101.06074	18.9
109.81967	1.8
118.06644	2.1
119.05016	11.9
134.06100	13.4
144.04581	3.5
162.05588	7.2
166.37625	1.9
176.83742	1.8
177.81262	2.1
180.06630	16.2
190.12393	20.2
200.45157	1.7
218.11877	23.1
218.13692	2.9
220.14226	15.7
221.44405	1.9
246.11328	2.7
264.12433	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	265.0719
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
50.26817	0.9
53.18631	0.9
61.90455	0.9
98.00096	6.3
106.13091	1.1
109.85861	1.2
121.02966	7.4
131.39304	1.1
151.43526	1.1
161.06076	1.5
162.06873	100.0
163.02835	1.3
175.07616	7.6
176.04759	2.0
177.09285	8.6
191.07281	3.1
210.98648	1.2
211.92818	1.2
221.08130	9.7
235.06119	7.1
249.12518	1.1
265.07190	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	265.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26500	0.5
52.86684	0.5
57.03451	1.0
59.01385	0.7
65.02985	0.5
65.35236	0.6
70.18295	0.5
85.02949	4.0
101.02387	0.6
103.04010	22.7
107.05037	0.6
133.02982	7.9
134.03751	1.4
135.04524	65.6
161.02440	100.0
161.31647	0.6
179.03503	47.2
265.07327	7.4
265.14639	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	265.087
Annotation	CHEMBL2147420
Peak:m/z	Relative Intensity
58.64770	0.4
58.78297	0.4
62.33869	0.4
66.08955	0.4
87.70443	0.4
93.03461	10.1
130.09164	0.4
143.05028	0.7
171.04524	2.7
221.06099	0.7
223.07697	0.8
235.07655	3.1
236.08455	13.6
237.09222	16.4
247.07593	2.7
263.07233	0.5
264.07932	2.4
265.08713	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68163	1.4
59.01385	100.0
61.01696	1.5
68.59933	1.6
71.01377	43.0
85.02943	7.8
89.01946	2.4
89.02438	70.3
101.02444	43.1
108.54971	1.6
113.02434	23.7
119.03484	30.8
125.11028	1.8
129.35027	1.7
131.03505	2.3
147.06613	3.0
149.04596	2.2
153.28397	1.7
157.72455	1.6
170.40662	1.6
179.05661	2.2
206.52847	1.7
213.46764	1.6
221.13640	1.7
235.23488	1.5
265.06653	2.4
265.09293	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14393	0.3
57.03453	1.6
59.01378	3.6
61.57630	0.2
67.29555	0.3
69.86638	0.3
71.01375	1.9
72.99310	0.3
73.02921	0.7
75.00858	0.3
85.02950	13.3
89.02430	0.5
101.02445	8.4
101.06080	1.5
103.04013	10.4
117.05573	9.0
119.03542	0.3
147.06636	100.0
159.02872	0.3
177.05609	0.4
177.07336	0.3
181.71965	0.3
265.09467	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	265.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.0
57.03455	4.8
59.01383	73.9
67.12722	2.4
70.47278	2.5
71.01376	81.4
73.02943	36.4
83.01389	17.1
85.02939	51.5
87.00904	4.4
89.02442	14.2
95.01372	4.8
99.00868	14.4
101.02435	100.0
113.02433	39.2
117.05548	3.1
119.16126	2.7
123.27331	2.6
136.04077	3.1
143.03532	4.1
147.06673	3.5
149.06094	3.1
159.03012	6.0
161.04568	47.3
178.04974	3.1
178.06279	3.5
231.42239	2.6
235.58057	2.9
265.08820	4.2
265.12823	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	265.1446
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
63.84970	2.2
71.01378	85.6
72.99288	4.1
89.50042	2.3
95.80370	2.5
96.96021	3.1
111.00903	22.0
145.12044	2.3
153.12885	3.1
156.24945	2.4
167.12825	2.3
177.01933	3.5
185.13347	12.8
185.45967	2.4
191.14427	3.6
193.16016	9.9
203.14381	4.2
221.01086	2.3
221.15508	89.5
237.15012	5.6
238.68585	2.5
265.14566	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	265.1445
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
57.21442	0.6
67.65226	0.5
71.05016	2.3
84.75072	0.6
85.06586	1.4
91.69047	0.6
97.06588	11.7
114.23386	0.7
121.06645	0.9
137.09731	0.8
151.11284	0.9
165.12805	5.1
175.11252	0.6
187.11101	0.7
191.14340	1.4
203.14363	1.2
205.12386	1.5
219.13878	5.2
221.15482	100.0
237.14941	7.9
239.16476	1.3
265.14465	63.7
281.30548	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	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
56.25967	0.6
62.67891	0.5
69.03452	4.6
75.38808	0.5
92.44266	0.6
97.02945	10.3
109.06599	0.9
123.08175	1.2
161.09709	2.3
163.11368	1.0
177.12846	19.8
181.17865	0.7
187.16948	0.6
188.12122	1.3
191.14433	30.0
193.15974	8.6
203.14423	12.9
205.12332	14.9
206.13129	4.0
219.13831	1.2
221.15468	100.0
247.13380	2.5
265.14456	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
50.68518	0.7
60.55430	1.0
62.40804	0.9
65.48284	0.7
69.03458	5.3
76.74458	0.8
77.46281	0.7
85.62114	0.8
97.02943	7.1
161.09680	0.9
177.12857	17.4
191.14436	28.6
193.15964	8.1
203.14452	7.7
203.60414	0.8
205.12358	12.9
206.13080	1.8
221.15472	100.0
221.68065	1.0
265.14450	58.7
278.82645	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	265.1446
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
63.53213	0.7
76.30406	0.8
76.82686	0.7
78.70111	0.8
92.19415	1.6
162.06277	0.7
175.06221	0.7
221.15477	100.0
265.14465	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32139	0.4
62.84494	0.4
73.17998	0.4
74.84355	0.4
78.32384	0.4
79.95732	0.8
86.66796	0.4
88.99105	0.3
96.96008	77.7
265.14789	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57458	0.6
79.78312	0.6
92.19404	1.2
96.96008	82.7
105.97076	0.6
113.53810	0.6
143.65781	0.6
265.14795	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26633	0.3
55.08062	0.3
96.96006	79.3
129.71928	0.4
263.69681	0.4
265.14792	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.14378	1.1
56.51390	1.5
57.03444	7.5
59.01374	7.1
78.95903	2.6
96.96008	9.8
97.06582	7.7
111.08103	2.0
113.09721	39.8
121.10172	3.4
139.11287	13.9
143.07114	8.1
149.09641	2.3
155.07181	2.1
155.10722	1.9
163.11301	1.7
167.10765	2.7
218.60629	2.0
221.19077	12.4
242.96826	1.7
246.90750	1.6
247.16980	10.6
265.14825	10.0
265.18066	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01386	15.6
59.66779	1.2
71.05021	7.1
74.57456	1.4
83.05012	1.9
96.96026	2.0
111.51711	1.4
163.14984	5.3
167.41992	1.5
181.12291	1.6
182.22676	1.4
189.12886	1.8
201.09621	1.5
203.18054	10.6
207.13901	72.9
234.97435	1.5
247.17015	57.9
265.15176	3.6
265.18079	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01371	7.4
60.87905	1.8
74.73864	1.7
86.49749	1.9
96.95976	3.3
119.37868	1.8
151.11247	2.8
155.07152	2.0
167.10765	42.1
195.10268	10.8
203.17993	3.3
203.95827	1.7
204.62349	2.0
221.15416	3.4
236.08600	1.7
247.17064	22.5
259.47266	1.9
265.14725	9.8
265.18069	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	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.42928	1.6
90.66730	2.3
96.96005	41.6
110.71342	2.0
143.33025	2.2
146.99722	2.3
158.80229	1.9
265.14746	55.1
265.21719	100.0
277.92902	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	266.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43114	0.6
77.52430	0.6
91.05503	1.0
102.03503	0.8
104.05054	1.1
117.03447	2.4
119.05021	18.0
120.04565	4.2
121.02955	100.0
132.04536	2.6
132.76871	0.6
163.04004	1.3
207.43536	0.5
210.09245	8.9
220.07620	1.0
222.09213	10.4
222.15831	4.4
231.11160	0.6
238.08737	23.2
266.08264	9.1
266.14902	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	266.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66946	2.7
56.02596	2.9
69.86642	3.4
72.99300	5.8
76.83768	3.4
91.05537	3.3
102.03555	3.4
104.05064	5.0
117.03483	6.9
119.05025	58.2
121.02953	92.3
122.79679	3.5
132.04558	5.1
135.04494	4.7
145.91606	3.1
163.04085	3.7
210.09309	42.5
222.09251	26.5
238.08742	100.0
266.08218	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	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.81115	0.2
60.75578	0.2
70.77273	0.2
77.06510	0.2
92.02557	0.3
107.03644	1.8
120.47056	0.2
134.04727	100.0
148.07140	0.3
148.08508	0.2
169.09683	0.2
266.08972	7.3
266.11890	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	267.0663
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01376	1.2
60.75693	0.6
115.86967	0.7
193.06693	1.0
195.04465	0.7
221.06079	16.9
239.07137	3.0
249.05560	24.9
265.05225	0.8
267.06628	100.0
267.19940	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51015	1.1
54.90611	1.2
55.01874	1.6
59.01385	100.0
62.45933	1.5
63.30190	1.2
71.01384	39.3
73.02939	16.6
76.83900	1.2
80.11252	1.2
80.45250	1.2
83.01392	3.1
83.11730	1.5
85.02942	18.6
87.00871	5.3
89.02448	28.5
95.01392	2.2
99.00878	2.5
101.02446	46.1
105.05560	7.4
107.81749	1.5
113.02438	26.6
119.03503	9.1
133.51912	1.2
143.03508	2.1
159.03008	2.7
161.04553	23.9
178.34637	1.4
267.10916	35.1
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	Papyracon B
Peak:m/z	Relative Intensity
57.03442	3.5
57.17387	1.1
59.01389	6.4
59.53154	1.2
66.91120	1.5
69.03455	5.8
71.05011	3.0
77.98138	1.3
85.02938	2.5
87.04505	9.2
87.26669	1.2
88.06299	1.2
93.03426	7.2
95.05017	6.3
97.02916	7.1
99.00877	1.6
101.02422	6.0
106.04247	1.6
109.06593	2.0
110.03703	5.3
111.04526	6.4
113.02444	24.9
113.06087	8.9
121.06641	1.5
123.04524	5.4
123.08150	1.7
131.03514	33.8
133.06586	2.3
135.04448	1.9
135.07179	2.8
135.08163	49.8
135.09201	1.9
137.06078	1.5
147.08095	2.0
149.09694	6.1
157.05074	1.6
159.08195	1.6
161.09695	3.0
163.04099	1.5
164.04736	2.0
167.07164	2.0
177.05582	1.9
179.07101	2.0
179.14333	1.6
185.09665	1.5
187.11302	72.3
205.05205	2.5
205.12361	15.0
223.06084	2.5
223.13420	2.9
231.10245	3.4
249.11285	8.7
267.05096	2.1
267.08856	8.3
267.12369	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	267.16
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
55.23870	0.6
59.01384	3.8
69.65034	0.8
73.02946	4.3
83.80367	0.7
97.06597	1.1
121.02933	4.2
122.03269	1.7
187.15083	0.9
205.15962	5.0
223.17041	100.0
249.14841	6.3
267.13297	1.5
267.15994	33.8
267.19641	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	267.1602
Annotation	Stereumin J
Peak:m/z	Relative Intensity
50.43763	1.5
53.85815	1.5
59.01374	10.8
60.88575	1.7
62.03458	1.4
75.93114	1.7
81.03465	1.9
82.00191	1.8
83.04999	3.5
87.04546	2.1
98.03737	2.4
99.04518	48.8
102.74842	2.0
111.04550	2.0
114.19134	1.9
119.79793	1.9
143.45593	1.9
175.14938	3.0
187.15024	2.1
193.16090	3.8
205.15977	2.9
207.13866	3.1
219.13945	8.4
223.13501	2.5
231.14015	13.3
237.14961	2.3
249.09297	3.0
249.14977	26.4
265.81989	1.8
267.03058	2.3
267.06607	4.0
267.10046	2.1
267.16037	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	267.1602
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
51.77842	0.9
56.17019	1.0
57.03453	4.5
58.25273	1.1
59.01377	2.4
68.53133	1.1
69.67026	0.9
69.91277	1.0
71.05021	49.8
73.02943	2.6
75.74754	0.9
81.03480	1.0
83.05056	1.7
85.02940	6.1
99.04530	15.0
101.06069	4.6
155.54622	1.2
187.02797	1.4
193.15910	1.7
206.21796	1.4
223.17056	7.0
237.05553	2.1
237.15005	2.2
249.14954	1.5
267.06705	1.9
267.16022	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	267.1602
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
54.13767	1.2
57.03451	1.4
59.01376	6.0
66.31555	1.4
69.21590	1.5
71.05016	1.9
83.05022	6.9
87.04507	2.4
92.19505	2.1
92.40401	1.5
97.06573	1.8
98.03764	1.9
99.04513	49.1
117.78825	1.4
144.63925	1.3
161.41203	1.5
167.76286	1.4
174.87366	1.4
175.14925	2.4
187.14963	5.7
193.15919	3.2
205.15927	5.8
207.13936	2.9
219.13835	6.7
227.24397	1.4
231.13863	13.7
249.15002	21.1
250.02463	1.7
257.95657	1.6
267.06784	2.1
267.16010	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	267.1602
Annotation	Dendocarbin D
Peak:m/z	Relative Intensity
53.72865	0.7
92.20029	1.5
93.32038	1.2
95.36477	1.1
139.07610	1.3
139.11435	1.1
191.14493	1.7
193.16005	11.5
203.14532	1.4
211.17007	1.3
219.13953	5.6
221.15479	100.0
223.17041	69.0
239.16544	5.3
241.18082	18.4
246.22217	1.1
254.21559	1.2
267.16028	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
54.67890	1.8
57.88558	1.7
61.16394	2.3
66.62989	2.1
83.05031	15.3
99.04520	100.0
104.74742	2.2
159.47997	2.0
172.11568	2.2
175.14888	3.1
187.14900	2.8
193.16002	2.6
197.00099	2.0
205.15982	5.4
207.13925	11.0
219.13905	14.6
227.69833	2.2
231.13908	14.9
249.14977	35.8
261.92523	2.9
267.16043	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Elongatol D
Peak:m/z	Relative Intensity
51.43664	0.4
53.42401	0.5
59.01379	0.9
64.89438	0.4
65.99096	0.5
67.18462	0.4
89.27924	0.5
152.04802	0.7
160.49356	0.5
198.92464	0.5
205.15959	3.0
209.06091	3.7
223.17163	0.6
224.08444	1.1
249.14946	1.1
267.16028	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	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01376	1.9
59.18160	0.7
59.63789	0.7
79.51904	0.9
80.26221	0.7
85.82524	0.7
94.26397	0.8
101.10332	0.9
121.02898	1.0
122.03244	1.3
223.17078	14.7
223.20680	1.2
267.16629	3.7
267.19644	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	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
50.94149	0.7
51.75154	0.7
59.01382	13.6
91.23361	0.9
103.87566	1.0
113.09754	1.3
149.09711	2.3
167.10771	37.2
186.84973	1.0
225.54889	1.0
231.17592	1.2
249.18608	35.4
267.19653	100.0
283.34473	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	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.22488	0.6
59.64880	0.6
59.95652	0.5
75.65378	0.6
77.47006	0.5
84.41508	0.5
84.56085	0.6
93.77118	0.5
99.78855	0.6
106.04134	0.5
112.37151	0.5
145.20682	0.5
160.43571	0.5
263.98154	0.6
267.23291	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.86365	0.5
59.01351	0.7
77.34931	0.6
117.03454	7.0
149.02452	8.9
150.70267	0.7
151.00362	8.2
181.06590	1.2
183.04594	0.9
193.16003	1.1
201.05606	1.7
225.05504	5.3
225.15018	1.0
227.03691	0.9
251.16599	1.0
269.04575	100.0
269.14389	1.6
269.17599	47.4
269.20767	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	269.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87882	1.0
57.11782	1.1
59.01384	26.6
62.25810	1.1
62.64806	1.0
65.92120	1.1
67.01885	2.3
71.01376	7.1
81.03457	2.0
83.01379	2.5
89.02434	7.0
95.01370	2.5
101.02449	6.0
105.01911	2.0
106.86076	1.6
107.01402	5.2
108.02180	16.5
109.02946	2.8
111.00843	1.6
122.03751	3.1
123.04484	16.5
128.14816	1.3
137.42105	1.2
150.03210	2.9
151.00369	20.2
152.01154	33.2
153.01942	7.0
165.01926	2.7
165.05586	2.0
166.02707	32.6
167.03493	54.9
167.19861	1.4
176.01157	2.2
181.05077	8.1
181.06572	2.4
194.02196	23.1
195.03026	5.6
209.04555	100.0
254.04381	8.5
269.06723	94.4
269.21255	5.6
269.24625	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	269.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56900	0.8
59.01393	6.9
62.61433	1.0
63.60800	0.9
71.01386	7.3
82.01683	1.0
89.02444	100.0
90.86795	1.0
95.65813	1.0
101.02462	1.9
110.40209	1.1
113.02378	1.2
153.10750	1.0
179.05704	1.3
187.13382	1.2
236.97121	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	269.0932
Annotation	Limazepine D
Peak:m/z	Relative Intensity
51.37198	0.3
53.04668	0.3
60.02635	0.3
68.99264	0.4
107.77217	0.4
113.17953	0.4
239.04663	2.6
240.05399	21.0
253.06149	0.7
254.07001	14.0
269.09326	100.0
269.21262	2.9
269.24796	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.3
57.03443	5.2
59.01381	70.3
64.85577	2.1
71.01382	100.0
73.02949	43.2
75.00873	5.0
79.60966	1.9
81.82799	2.2
83.01388	20.8
85.02948	63.5
87.00875	4.1
89.02442	10.5
95.01381	4.9
96.96002	3.0
98.04409	2.4
99.00862	17.8
101.02441	96.5
111.00885	2.6
113.02441	41.0
115.03966	2.2
116.53866	2.1
137.02434	2.7
159.02943	8.9
161.04579	29.7
189.12790	4.8
206.02211	2.9
251.05524	5.0
269.04431	4.2
269.07034	4.1
269.10242	24.1
269.21252	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14645	1.0
59.05343	1.1
60.75579	1.3
65.44466	1.1
73.78562	1.1
91.98780	1.6
95.80713	1.3
121.02955	7.0
123.35033	1.3
135.04524	5.3
143.99236	1.5
161.06093	1.7
162.06880	20.0
165.05528	1.7
177.09207	22.2
180.07922	100.0
192.07930	87.0
192.09680	2.5
193.08722	6.5
195.10265	36.8
207.10272	58.4
210.09010	41.7
225.11340	65.1
239.09319	11.5
251.09235	6.0
269.04468	5.6
269.10330	19.6
269.21182	11.4
269.24774	1.8
275.10281	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	269.1759
Annotation	(-)-Isocelorbicol
Peak:m/z	Relative Intensity
57.03450	0.8
69.82151	0.6
71.05008	1.6
72.90945	0.6
73.02950	10.8
83.05017	1.6
85.02929	0.8
92.20088	0.9
105.15854	0.6
118.92081	0.6
137.09650	0.7
149.02376	1.1
151.00415	1.0
155.10791	1.0
156.11601	0.7
160.35828	0.7
167.10849	1.1
169.12370	3.2
183.13922	4.1
189.16530	1.0
197.11787	2.4
209.15463	6.9
211.17145	0.9
221.15469	3.4
223.17085	3.1
225.05597	0.9
233.15488	3.5
239.16536	18.1
241.18094	2.9
251.16516	11.9
269.04575	23.7
269.07672	1.9
269.17593	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	271.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28077	1.1
55.01882	1.4
55.78101	1.0
59.01377	2.8
65.33124	1.4
71.01379	2.4
71.99706	1.3
72.99307	52.4
87.00873	10.9
99.00871	10.1
99.84193	1.4
101.02472	2.2
103.00374	8.5
108.02174	42.8
109.02948	87.0
121.02944	6.8
122.03745	2.4
123.04517	100.0
139.03987	13.6
147.04488	6.6
151.03995	17.9
163.04001	5.5
165.05559	7.0
179.03534	2.2
179.89127	1.2
181.05080	59.5
191.03502	17.9
195.02986	15.0
209.04533	8.2
235.02507	3.1
253.03539	11.2
271.04593	99.0
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	Unknow
Peak:m/z	Relative Intensity
55.35314	0.8
57.82772	0.9
62.22349	0.8
63.02400	5.3
65.00314	7.9
66.94131	0.8
83.01388	8.0
84.85959	0.9
92.19397	1.9
93.03451	11.4
98.27435	0.8
107.00710	1.1
107.01395	21.4
109.02923	1.4
117.03490	0.9
119.04171	2.1
119.05019	63.5
125.02402	1.4
131.97639	1.0
137.02419	1.4
151.00365	85.5
161.06088	2.0
165.01942	4.5
169.01443	1.2
169.21468	1.0
177.01985	11.9
185.06026	1.3
203.07126	1.5
215.11760	1.0
227.07249	1.0
229.35695	0.9
271.06125	100.0
271.15683	1.4
271.18622	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	271.0612
Annotation	Isopestacin
Peak:m/z	Relative Intensity
58.60715	0.8
61.64271	1.0
65.64498	0.9
65.79846	0.9
67.22409	0.8
70.62173	0.8
81.03472	5.5
83.01379	5.2
97.02940	6.0
101.31622	1.1
107.01389	2.1
107.94812	1.0
108.99380	1.0
109.02955	0.9
115.52567	0.9
119.05003	7.0
121.02944	10.9
123.04499	1.1
125.02431	29.6
137.02432	3.7
139.03976	1.3
141.07155	1.4
143.05037	5.7
145.02933	12.6
149.02432	4.8
151.00281	1.2
155.08647	6.4
157.06627	8.4
161.06029	2.0
164.01218	2.3
165.01920	6.7
171.08179	1.3
181.05019	1.1
184.05330	4.7
185.06102	9.0
187.04004	1.9
193.01434	8.0
199.07689	14.0
201.05592	1.5
203.07175	5.3
227.03540	2.0
227.07172	5.8
229.04984	1.1
243.06621	7.7
256.07065	1.0
271.02655	6.2
271.06128	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94130	0.7
83.83096	0.8
106.33700	0.7
133.03035	0.9
137.02461	0.8
139.04060	0.8
141.07146	0.9
143.05028	7.6
157.06517	0.9
159.08197	4.3
167.04994	1.0
180.05806	1.0
181.06517	1.7
182.07347	1.0
183.04417	1.1
183.08107	6.9
185.06100	19.5
191.14392	0.8
191.58316	0.7
194.54178	0.8
197.06107	1.6
209.06093	10.6
211.04022	1.7
212.04759	1.6
225.05569	11.6
227.07150	64.1
253.05077	100.0
265.81137	0.8
271.06149	59.6
271.12808	1.4
271.15588	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01381	1.5
63.02397	4.5
65.00318	7.5
83.01389	8.2
87.00880	1.4
87.91277	0.6
93.03459	14.3
99.04521	0.9
107.01389	23.4
107.10886	0.6
109.02917	1.3
115.04031	1.5
119.05022	61.0
123.04494	2.5
125.02442	4.0
133.10220	1.3
134.03777	0.8
137.02440	3.2
139.03972	3.1
145.02893	1.0
151.00369	79.0
161.06082	2.6
164.01149	3.5
165.01918	4.1
165.05568	3.6
169.01451	2.9
177.01915	11.0
181.05063	0.8
185.06145	1.3
187.03969	3.0
199.07570	0.6
203.07162	1.0
225.05585	5.5
226.06296	1.0
227.03516	0.8
227.07117	3.0
228.37135	0.6
235.13437	1.4
238.06258	1.4
240.08006	2.6
241.05063	2.5
241.08714	3.8
243.03038	1.0
253.05135	1.1
253.08720	0.7
253.14476	0.7
256.07352	2.8
271.02658	9.6
271.06152	100.0
271.09583	6.5
271.22839	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	271.0824
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
55.01882	0.9
57.03438	3.5
58.37181	0.7
59.01402	0.8
68.99809	0.9
71.01382	4.7
72.34753	0.7
72.99316	0.9
73.02975	0.8
83.01400	5.2
83.05009	3.2
84.39696	0.8
85.02969	5.9
95.05006	1.1
97.06583	6.2
99.00874	3.6
107.04979	0.8
109.06589	3.2
109.71251	0.9
111.00865	0.8
111.08155	1.4
122.03755	1.2
123.04530	1.7
123.08168	5.9
124.98765	0.8
125.06103	6.2
125.09718	43.2
135.08157	4.1
137.02467	0.9
137.06078	8.3
137.09761	2.6
139.07660	0.7
141.09233	2.8
142.99840	1.7
151.07668	1.8
153.05603	6.4
153.09209	17.3
154.08871	1.0
154.99855	3.4
164.01180	0.9
165.05536	1.5
169.08727	4.3
173.00937	3.2
174.01730	1.1
181.08752	1.0
197.04559	3.2
197.08249	6.5
227.09303	3.0
241.07175	2.7
271.08243	100.0
277.40121	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	271.0824
Annotation	Arbutin
Peak:m/z	Relative Intensity
55.96173	0.4
59.01388	0.7
60.25502	0.4
61.13904	0.4
71.01388	6.7
71.15419	0.4
73.02944	2.8
85.02954	2.3
95.01408	0.6
99.00874	0.7
101.02471	4.7
108.02176	100.0
109.02957	15.9
113.02425	3.4
121.02948	1.9
123.04530	2.8
133.02928	1.8
151.03955	4.8
159.03053	0.6
161.04594	5.5
161.05873	0.7
163.03944	2.0
188.19713	0.6
267.08786	0.5
270.99957	0.5
271.06177	2.3
281.81113	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	271.134
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
92.02676	31.3
95.01401	16.6
96.94474	1.5
108.02200	16.3
112.92405	1.6
136.01669	95.7
146.07309	2.0
164.07512	1.5
168.24426	1.6
179.67676	1.5
227.14384	3.9
241.96774	1.7
270.63635	1.9
271.05942	6.8
271.13409	100.0
271.22815	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
51.43629	0.6
54.81112	0.6
56.58455	0.5
59.01383	100.0
83.05061	0.6
91.17493	0.7
112.92782	0.7
133.28885	0.9
151.00381	0.9
153.12967	0.8
171.05164	0.6
174.78632	0.7
195.13882	0.9
209.15471	1.6
211.17046	1.5
212.16270	0.8
218.93475	0.7
235.13341	4.3
253.14459	4.2
271.05698	1.6
271.15613	8.3
271.19141	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
53.97937	0.7
57.31271	0.6
69.91570	0.7
80.55495	0.8
118.35504	0.7
209.19101	80.4
227.20218	1.4
253.18083	63.8
256.03793	16.3
271.06161	12.6
271.19122	100.0
271.22678	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01387	100.0
65.01457	1.3
67.87531	1.2
69.54417	1.3
69.94733	1.0
88.12103	1.3
105.65968	1.3
143.07285	1.7
271.22818	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.56054	0.4
85.08915	0.5
94.92941	0.5
97.15953	0.5
116.00362	0.5
161.06078	1.0
182.88139	0.5
194.86143	0.5
225.22263	6.4
252.92825	0.6
253.21713	1.2
269.21204	0.7
271.06226	3.9
271.22809	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.51233	0.6
57.09591	0.8
58.42336	0.6
62.42180	0.6
93.36240	0.7
113.16495	0.8
130.64011	0.7
223.20726	4.2
224.62198	0.7
225.22246	84.5
253.21700	1.1
271.22797	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.81631	0.8
56.24864	0.9
59.01369	1.0
66.80541	0.9
74.11801	0.9
88.17138	1.1
97.06610	1.0
99.08147	2.1
117.42145	0.9
121.12179	1.0
125.68580	1.0
155.14417	2.0
176.17252	0.9
225.22195	7.6
253.21596	1.4
258.33847	1.0
259.48279	0.9
269.21274	1.9
271.22794	100.0
289.06958	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	272.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63773	0.6
54.88137	0.8
63.02400	1.9
64.02725	1.2
65.00332	5.4
66.00663	1.2
83.01369	4.4
84.01711	1.5
86.78283	0.8
93.03453	7.4
94.03771	4.8
107.01385	13.6
108.01742	10.0
117.03461	1.3
119.04172	1.5
119.05011	28.2
120.05352	33.3
137.05356	0.7
150.02733	0.8
151.00365	49.0
152.00702	44.0
153.00919	1.3
166.02292	1.4
177.01942	5.2
178.02260	6.6
186.06404	1.8
188.04344	1.4
228.07471	1.2
272.06503	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	273.038
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
64.72963	0.8
69.03470	1.1
76.12223	0.8
78.95905	73.0
79.06271	0.8
88.05260	0.9
93.03449	1.1
93.47087	0.8
95.24233	0.7
96.96953	26.6
96.97542	1.4
108.01341	0.8
110.98518	17.7
125.00963	3.6
125.94349	1.1
126.98895	1.5
127.36641	0.9
141.00471	5.0
151.02513	2.1
157.03601	1.2
167.02060	3.6
168.99931	23.6
169.01358	1.2
169.03566	1.7
183.01462	0.9
191.05759	6.1
193.03586	1.7
195.01492	27.9
211.01089	4.1
225.02623	1.9
231.03665	1.6
241.01187	4.2
255.03456	1.9
273.04388	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	273.0404
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
51.94931	1.5
63.22206	1.8
64.75093	1.6
65.00323	1.6
66.04958	1.6
71.20812	1.6
78.39364	1.8
83.01372	2.0
84.93479	1.7
119.05022	3.1
125.02457	2.0
135.04530	4.0
137.46381	1.5
143.05074	6.7
159.04494	16.9
161.02432	2.9
161.06059	6.6
163.04025	49.8
175.04085	2.9
185.06030	2.9
187.04018	100.0
189.01961	4.0
201.05521	3.9
203.03554	12.2
205.05072	18.8
211.03989	10.5
213.01979	1.9
227.03427	2.3
229.05058	55.5
231.02977	13.8
245.04582	2.7
255.03090	14.0
273.04056	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0405
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
70.45876	1.0
76.70891	1.2
79.36288	1.0
83.01381	1.9
90.65929	1.0
117.03485	1.8
119.05022	1.7
119.96793	1.2
121.02943	1.0
125.02540	1.1
131.05061	1.0
135.04507	4.9
143.05020	6.4
149.02419	2.3
150.93748	1.2
157.06601	1.5
158.03793	1.4
159.04520	15.0
161.02466	4.6
161.06041	6.3
163.04018	52.5
173.06155	1.8
175.04024	4.8
177.05566	2.0
185.06042	6.7
186.03334	1.6
187.04022	100.0
189.01945	7.1
201.05566	11.5
203.03525	14.5
205.05106	22.3
211.04085	10.1
213.01859	2.4
227.03403	1.8
229.05054	52.2
231.02977	13.7
245.04523	4.0
255.02956	11.3
273.04074	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0405
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
53.69849	0.5
60.15065	0.6
63.02406	2.4
63.24215	0.5
65.00342	4.9
70.30975	0.5
70.98986	0.6
71.30179	0.5
72.39719	0.6
79.95750	1.4
83.01384	4.2
93.22637	0.8
95.01395	0.7
107.01397	8.0
109.02937	1.1
121.02940	4.7
123.45666	0.6
125.02460	6.7
131.35966	0.6
135.04517	1.5
143.05028	1.1
149.16161	0.7
151.00357	11.6
154.36444	0.6
157.06593	0.8
159.04538	2.5
161.02443	1.4
161.06102	2.4
163.04027	7.6
164.01083	1.2
173.06059	1.2
173.61169	0.7
177.01775	0.9
177.05579	2.3
184.62787	0.8
185.02521	0.6
185.06100	3.9
187.04027	6.0
189.01865	0.7
199.04083	0.8
201.05600	6.6
203.03513	3.2
205.05019	6.1
217.05000	0.7
227.03464	1.4
229.01524	1.2
229.05022	6.5
230.02240	0.7
231.02962	4.9
245.04605	2.3
252.35721	0.8
255.02982	4.2
273.04062	100.0
273.11594	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	273.0406
Annotation	1,3,6-Trihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
54.09037	0.4
56.51389	0.4
58.84659	0.4
61.83866	0.4
65.15266	0.4
73.72861	0.4
75.25332	0.5
97.62277	0.4
98.02250	0.5
127.48540	0.5
153.01932	0.8
157.85046	0.4
185.09756	0.9
186.03256	0.5
201.01880	0.5
210.34299	0.5
214.02724	3.9
229.01428	0.9
229.05026	0.6
229.08705	1.1
230.02176	2.7
255.06639	0.4
258.01712	100.0
266.02658	0.5
273.04059	49.4
273.18716	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	273.0768
Annotation	Phloretin
Peak:m/z	Relative Intensity
56.06499	0.8
57.09251	0.7
67.52558	0.9
69.56697	0.8
71.22891	0.7
80.39658	0.8
81.03458	16.8
81.32442	1.0
83.01391	4.1
84.10348	0.8
93.03463	4.9
99.33683	0.8
107.01424	1.3
119.05011	22.6
123.04523	39.1
125.02414	11.3
151.00365	3.6
166.02751	0.9
167.03490	100.0
179.03549	4.9
187.07747	1.0
189.05582	3.6
190.30562	0.9
229.08719	1.6
258.01657	1.4
273.07706	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
81.03432	2.1
83.01376	1.6
92.19392	3.6
93.03430	11.9
95.05016	8.6
97.02942	50.9
107.05008	4.8
107.42796	1.2
109.02921	2.1
115.00352	5.9
119.04977	2.0
122.03807	2.1
123.04565	10.8
124.40263	1.3
125.02416	2.1
133.02956	8.4
134.03745	2.0
135.04512	7.9
136.46236	1.5
137.02455	24.5
138.03218	8.0
139.03992	8.6
147.04591	1.5
151.04019	1.6
161.05824	1.5
166.02698	5.9
169.06552	2.3
171.04492	2.3
175.02467	4.4
187.07643	15.7
189.05577	19.5
199.29420	1.4
205.08711	21.6
211.07663	5.6
229.05023	1.5
229.08650	14.4
231.06601	2.8
255.06641	8.5
273.04675	3.6
273.07687	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	273.077
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
73.38055	0.9
77.66600	1.0
78.60526	0.8
81.03460	4.9
83.01379	1.6
84.86821	0.9
93.03452	10.5
95.05009	10.9
97.02945	46.4
98.03741	0.8
107.05017	3.3
109.02909	1.5
115.00390	2.1
117.32079	1.0
119.05047	2.0
123.04522	9.4
125.02409	3.9
133.02939	6.8
134.03723	3.5
135.04518	9.6
137.02464	13.7
138.03223	6.0
139.04024	8.6
145.06604	1.4
147.04504	3.7
151.04068	1.2
161.06052	1.7
166.02675	4.2
167.03517	1.2
171.04478	1.7
172.05252	1.2
175.02565	2.0
179.03474	1.3
186.06865	3.4
187.07645	18.7
189.05574	15.0
201.09172	0.9
205.08701	20.7
211.07526	1.5
229.08633	12.8
231.06627	4.3
255.06694	6.5
273.07684	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	273.0771
Annotation	Luteoliflavan
Peak:m/z	Relative Intensity
51.03662	0.7
54.84559	0.6
57.03450	0.7
63.99704	0.7
66.46118	0.7
78.32956	0.7
82.80674	0.8
83.01399	3.4
93.03445	0.9
99.35625	0.9
105.30918	0.8
109.02937	5.3
123.04504	1.2
125.02443	20.6
135.04530	97.3
137.02449	100.0
151.03998	9.1
163.04036	1.0
205.05066	0.9
229.05034	4.0
231.02951	1.4
273.04037	7.5
273.07626	4.5
273.18402	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.6
66.85780	2.6
71.12733	2.6
81.03457	13.8
82.83442	2.4
83.01395	3.3
92.19490	3.3
97.02932	4.7
97.93980	2.3
99.04523	36.0
100.89382	2.1
101.02438	100.0
115.03999	28.0
125.15942	2.9
131.03468	18.2
143.03557	2.9
153.12796	19.0
163.11232	5.1
175.14905	11.3
181.12347	6.0
193.16008	9.9
209.15511	4.8
219.13982	3.5
237.14989	47.3
255.15993	29.7
273.17114	98.9
273.20276	5.0
277.87589	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	274.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05829	1.2
60.84958	1.2
61.37136	1.2
67.01872	10.3
72.99306	100.0
76.48206	1.3
79.85593	1.5
92.64040	1.4
104.62880	1.2
110.02476	10.3
111.00887	27.8
119.05016	23.4
132.04578	3.1
167.07272	1.2
199.26953	1.5
200.07178	12.6
203.24384	1.4
204.51431	1.3
228.06660	24.2
256.06189	16.2
266.26410	1.3
274.04669	5.3
274.07227	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95335	1.0
59.01386	1.3
61.98847	2.5
67.20118	1.1
67.31104	1.1
68.39501	1.2
71.01384	5.1
72.99311	2.1
75.00872	49.9
78.94352	1.1
86.75954	1.1
88.04093	1.3
93.03459	1.7
95.01422	1.3
97.02999	1.4
108.02154	2.7
112.04001	1.5
112.07696	1.3
116.07195	17.0
122.06097	5.4
123.00900	13.1
127.05145	1.3
136.01671	29.6
136.02634	2.5
137.02563	1.5
137.04814	6.0
138.03232	60.3
138.05656	2.9
140.07208	14.5
141.01308	2.0
150.05605	5.9
152.03560	6.6
152.07176	5.4
153.01964	5.4
155.03549	1.2
157.07407	3.0
167.05881	65.9
168.06667	1.6
170.02222	7.5
172.09781	1.8
179.05997	1.8
180.06665	5.3
182.04698	2.3
182.08228	100.0
185.04544	8.1
196.06180	6.7
197.06992	12.9
198.07756	1.6
200.09254	1.6
212.09296	12.7
215.07968	5.8
230.10272	6.5
238.61656	1.2
261.93921	1.3
274.06165	6.7
274.09259	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20757	1.2
57.97567	1.4
59.01373	1.5
60.86501	1.2
66.38746	1.3
68.93925	1.1
69.79558	1.1
71.01373	2.3
72.99285	1.3
75.00871	53.6
84.51336	1.3
88.04041	1.1
92.19439	1.3
93.03460	1.7
95.01376	1.3
98.08902	1.1
108.02144	2.6
112.04044	4.9
112.07645	1.6
122.06106	5.5
123.00883	12.5
123.04520	2.2
124.00981	14.8
125.02380	6.1
128.03545	1.3
130.08719	2.6
133.05644	1.4
136.01660	37.4
137.04813	5.2
138.03221	58.0
138.05594	2.5
140.00487	15.9
140.07179	12.6
141.01294	51.1
150.05608	6.6
152.03525	7.2
152.07144	6.8
153.01888	2.4
155.03497	1.5
157.00749	2.5
157.07455	2.4
167.05881	71.5
168.06522	1.9
170.02245	11.2
171.02335	31.1
172.09846	2.9
179.05884	2.1
180.06654	2.2
182.04697	2.5
182.08220	100.0
185.04596	8.8
187.01797	10.4
196.06152	6.4
197.06946	17.4
198.07715	3.0
212.09232	13.1
215.07936	5.7
230.10301	5.9
274.06482	2.7
274.09360	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1297
Annotation	O-glutarylcarnitine
Peak:m/z	Relative Intensity
50.84187	1.3
67.45417	1.2
69.53915	1.3
84.04551	10.2
92.20033	2.8
93.49776	1.3
99.08138	8.3
100.07656	2.9
102.05617	99.2
126.09285	1.5
128.03537	100.0
144.10329	2.8
145.07614	2.8
145.08717	57.8
146.04579	25.9
156.13954	2.6
168.13979	2.1
184.13455	2.7
194.08255	3.5
230.13995	19.8
256.11911	10.5
260.54132	1.5
274.12988	96.3
276.67050	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	275.0562
Annotation	2,2',4,4',6-pentahydroxy-6'-methylbenzophenone
Peak:m/z	Relative Intensity
56.94997	1.7
57.03453	2.3
83.01377	7.5
85.91988	1.9
97.97036	1.9
109.02953	21.7
117.56445	1.9
121.02979	3.1
123.04542	2.5
125.02429	46.1
137.02443	100.0
138.03230	49.9
145.42580	1.9
147.04510	4.5
149.02420	7.7
151.04041	2.8
159.04556	8.1
161.06087	2.7
163.04022	4.3
165.01933	22.2
166.02715	44.2
167.03604	3.4
167.48259	1.9
175.03893	2.5
185.06013	3.0
187.03978	8.8
187.07600	2.3
188.04733	1.8
189.05566	3.9
191.03497	2.7
201.05542	1.7
203.03522	9.8
203.07198	4.2
204.04279	3.0
205.05090	4.5
207.06606	7.8
213.05492	2.5
217.01485	3.6
229.05013	8.0
231.03043	21.0
231.06589	7.6
233.04474	8.8
247.06007	8.7
257.04553	10.5
275.05621	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0563
Annotation	2,2',4,4',6-pentahydroxy-6'-methylbenzophenone
Peak:m/z	Relative Intensity
53.89415	0.4
57.03456	4.3
65.00304	0.6
71.59452	0.4
80.63727	0.4
83.01396	0.9
97.05899	0.4
107.01367	1.0
109.02931	2.5
123.04519	2.9
125.02437	100.0
147.04564	0.7
149.02435	2.2
151.00352	6.3
160.93256	0.4
165.01938	0.4
166.02701	2.0
174.03200	0.9
188.04799	4.6
189.05588	6.2
191.03471	3.2
196.03973	0.4
231.06717	0.6
231.11389	1.0
275.05630	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	275.0562
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
57.03447	7.2
66.83965	1.6
74.98855	1.7
78.42184	1.4
81.03465	5.9
83.01385	76.0
88.29003	2.1
93.03442	15.6
109.02955	29.9
109.22307	1.8
121.06569	2.5
125.02444	43.3
137.02449	100.0
137.03500	3.4
147.04585	13.1
151.04132	1.8
161.06081	2.2
165.01945	8.9
165.05560	80.6
189.05565	9.0
207.06619	8.9
213.05537	2.9
230.66061	1.6
231.06572	11.3
257.04529	13.1
275.05624	67.9
275.11148	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	275.0561
Annotation	2,2',4,4',6-pentahydroxy-6'-methylbenzophenone
Peak:m/z	Relative Intensity
52.49223	1.7
52.67237	2.0
56.89384	2.0
77.79540	2.0
83.01386	4.2
93.03497	3.7
100.02403	2.1
102.49715	2.2
102.93388	2.2
109.02966	20.3
115.51913	2.1
123.04501	3.0
125.02444	47.6
129.77844	2.3
137.02446	100.0
137.48022	2.2
138.03223	58.2
149.02408	4.8
151.04021	3.2
159.04507	8.9
161.06114	4.2
165.01872	24.4
165.05536	3.8
166.02701	43.4
167.03522	3.3
175.03986	3.3
178.06714	2.5
185.06075	2.5
187.03999	11.1
187.07507	2.6
188.04808	4.2
189.05582	4.7
203.03510	14.8
203.07158	5.1
204.04364	5.2
205.05081	4.1
229.05130	3.0
231.03069	27.1
231.06607	12.5
232.03658	2.9
233.04521	10.9
247.06093	12.0
257.04605	4.4
275.05655	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1137
Annotation	Itoside M
Peak:m/z	Relative Intensity
50.01882	1.1
56.77257	1.0
57.03462	1.3
59.01383	15.4
71.01383	4.7
71.05027	2.1
71.98847	1.1
73.02951	2.0
81.03468	1.2
83.05067	1.3
85.02940	4.9
87.04507	6.3
97.06571	5.0
99.04507	2.1
101.02446	24.7
105.01880	4.2
109.06590	1.2
111.08163	1.8
113.02479	1.6
113.06076	8.1
115.04010	23.9
125.02411	2.7
127.07668	2.8
131.03510	13.1
133.10231	16.7
137.02431	1.9
141.75223	1.2
151.11287	6.9
155.07162	2.0
177.09238	1.9
195.10298	7.8
213.11404	8.0
257.10294	20.4
275.11368	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	275.1289
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
60.37526	1.3
67.39025	1.4
72.09570	1.5
88.18697	1.6
95.27431	1.6
109.61449	1.5
122.03735	2.0
150.03194	11.1
159.04524	8.7
160.54951	1.6
161.02435	6.7
161.29831	1.6
165.01917	3.7
172.05232	2.0
173.06035	13.9
174.06873	2.1
175.04044	11.8
187.03978	12.1
187.07635	25.3
189.01935	2.8
201.05588	8.9
202.04459	3.2
202.06363	100.0
203.10831	3.6
208.13567	2.0
213.09224	8.0
215.07130	3.1
216.07890	23.5
231.10249	94.4
246.09019	13.1
275.12900	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11411	1.8
59.01105	2.6
59.01385	50.1
60.38039	1.8
71.01382	2.3
71.05035	2.0
85.02938	7.2
87.04506	19.2
115.04007	86.8
131.03529	13.0
135.53993	1.7
139.11296	9.5
141.12900	2.6
155.14409	23.5
167.17593	1.9
168.52965	1.8
169.12378	3.5
171.13905	31.9
187.92760	1.7
195.17558	41.2
197.65843	1.5
243.05809	1.8
257.17596	41.4
275.18671	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	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01380	4.1
59.60065	3.4
69.08499	3.3
77.08874	3.6
100.38830	3.5
120.89021	3.9
167.74933	4.3
207.83000	4.0
218.22641	4.5
231.21042	6.2
275.17029	7.2
275.20145	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	275.2018
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01383	10.2
62.58479	1.1
72.82023	1.3
79.13885	0.9
92.20097	2.5
122.52936	1.0
154.86617	1.3
163.99495	1.3
168.76451	1.1
214.34903	1.4
231.21170	7.4
275.20197	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	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70673	0.8
59.01380	4.5
60.08222	0.8
71.32374	1.1
75.34177	0.8
177.16457	1.2
200.08017	1.1
231.21220	7.5
236.54741	1.0
275.20200	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	275.2017
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
55.04378	2.1
63.23733	2.1
67.59412	2.2
75.16329	2.2
83.93834	2.0
137.91608	2.6
167.23311	2.4
206.48907	2.5
214.93242	2.8
231.18977	4.7
231.21184	100.0
275.16620	5.1
275.20093	17.0
277.06400	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	276.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	2.2
77.26449	1.5
81.88811	1.3
82.02985	17.0
84.08168	2.2
92.05061	72.7
92.19514	2.2
102.05613	2.9
109.04079	7.3
127.05115	2.5
128.03517	7.2
136.04050	81.1
139.05121	16.5
146.94579	1.6
147.06628	3.5
147.09286	10.9
148.04033	12.9
191.08253	2.5
192.80838	1.5
204.11432	15.6
232.10805	11.1
248.10425	12.7
258.09760	3.3
273.69223	1.6
276.09894	100.0
288.29144	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	277.0353
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
74.81546	0.7
82.26894	0.6
84.04516	0.7
84.81506	0.6
84.86230	0.7
86.59901	0.6
92.19470	0.7
110.38779	0.7
117.03465	7.0
128.03563	1.2
129.05507	0.7
132.02232	0.7
133.02950	62.0
156.02133	0.9
157.02934	100.0
188.73102	0.6
189.01942	72.4
190.02679	1.2
193.05034	0.8
195.07010	0.7
201.01917	0.9
217.01430	40.2
217.10626	1.0
218.02220	0.9
235.02438	3.9
245.00928	1.3
268.09235	0.7
277.03537	67.5
277.12936	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	277.0717
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
52.61696	1.2
55.42013	1.1
57.03455	2.4
58.41298	1.3
58.45855	1.1
66.73523	1.4
67.19442	1.2
71.05022	3.2
73.02940	1.5
79.03456	1.3
81.03465	2.4
83.01392	2.8
94.77277	1.3
95.05030	2.7
96.31411	1.3
105.07104	2.8
107.05019	6.7
109.02903	2.1
111.00884	3.3
111.04502	2.2
115.04013	1.9
121.90509	1.3
123.08165	17.4
124.01661	2.6
125.02428	16.1
131.05017	1.7
137.02438	8.6
139.04051	1.5
144.61966	1.3
145.06531	2.1
146.40816	1.6
147.08179	24.6
149.02490	2.1
149.06068	19.7
150.03259	5.9
161.02472	8.6
165.01947	2.0
165.09192	20.5
167.03450	2.9
171.08138	2.8
173.06102	20.4
175.04056	1.9
189.09225	5.1
191.07127	19.7
215.07146	66.0
233.08192	100.0
259.06018	1.4
277.07187	22.8
277.09952	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	277.0718
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
51.71277	2.8
54.41257	2.5
56.13594	2.5
65.51768	2.6
66.37158	2.4
83.01391	5.3
83.17197	2.3
93.03478	2.9
95.04993	3.2
97.02970	2.8
106.75759	3.0
107.05056	3.8
109.02927	5.2
123.08131	17.1
124.01659	5.9
125.02432	19.0
131.05060	3.5
137.02435	14.2
147.08167	24.8
148.23770	3.2
149.06073	22.7
151.00279	3.6
152.12627	2.6
159.34001	3.5
161.02405	17.7
161.06206	3.4
162.62793	3.0
165.09256	22.1
165.53336	2.7
167.03490	5.7
172.05287	3.1
173.06050	26.3
174.03163	3.1
175.04030	4.4
175.81828	2.9
177.01920	3.8
189.01907	4.9
189.05588	7.1
191.03470	5.2
191.07185	21.2
195.06592	4.3
205.05022	13.4
215.03723	3.2
215.07132	69.2
233.04469	10.9
233.08174	100.0
242.98091	3.1
259.06113	5.4
277.00668	3.6
277.03571	26.4
277.07162	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	277.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87233	1.2
57.05486	1.1
58.02983	30.3
59.01379	14.5
71.01382	18.5
71.05002	2.4
72.38553	1.3
73.02943	5.6
78.95886	1.8
84.04544	30.3
85.02962	10.7
86.02470	2.4
87.00854	1.4
87.61858	1.4
89.02439	3.0
92.05059	12.9
96.96942	8.8
97.06583	1.6
101.02458	11.0
111.77733	1.4
113.02429	9.0
115.04009	15.2
119.03543	1.8
120.04572	6.8
128.03542	95.2
128.05069	5.4
130.06638	1.6
131.03712	1.6
144.04556	30.1
146.02499	1.8
146.06133	20.8
147.03397	1.8
148.04056	100.0
159.06590	2.1
161.04529	3.1
173.04538	1.4
173.07205	17.1
174.05576	2.6
190.05190	5.8
215.08241	27.2
259.07343	3.0
277.08264	41.7
277.12729	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	277.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23756	1.3
55.69894	1.3
58.02977	31.7
59.01385	55.3
71.01389	26.8
72.99306	1.8
73.02943	3.2
78.95904	9.2
82.72948	1.5
83.01388	2.1
83.17766	1.4
84.04546	28.7
85.02940	3.7
86.02446	1.7
89.02438	24.8
92.05043	14.5
96.96955	15.1
99.00869	9.5
101.02451	19.6
113.02426	8.7
115.04006	7.7
119.03497	9.8
120.04539	8.9
128.03537	100.0
128.05028	5.8
144.04561	26.8
146.02499	1.7
146.06142	13.8
148.04054	98.3
161.04651	2.2
173.07172	20.5
174.05565	1.9
190.05098	3.1
193.45697	1.6
213.27013	1.4
215.08284	25.6
252.21294	1.7
259.07141	1.7
276.98798	6.5
277.05560	1.9
277.08267	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.087
Annotation	Ovalitenin A
Peak:m/z	Relative Intensity
69.08549	0.7
100.64801	0.8
119.05039	2.8
133.03052	0.7
147.04521	100.0
171.04501	1.0
211.71550	0.7
231.08174	0.9
247.07689	3.2
248.08321	2.9
249.09253	4.2
259.07443	1.2
267.31177	0.8
275.07150	7.2
276.07700	5.5
277.08707	93.6
295.39206	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	277.0928
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
50.99901	1.5
55.01886	3.8
56.99681	1.5
57.03454	4.1
58.02976	9.2
58.69553	1.7
59.01386	47.0
62.31618	1.9
71.01379	100.0
71.05006	8.7
73.02941	31.4
81.68842	1.7
83.01397	19.6
84.04539	14.2
85.02943	54.7
87.00845	4.0
89.02432	9.7
92.05052	2.4
95.01375	7.9
96.96948	12.0
97.02950	3.4
99.00877	12.0
101.02439	73.5
103.04018	2.9
113.02444	44.8
114.99471	1.9
115.04008	46.2
127.31995	1.9
128.03525	39.6
143.03448	3.2
144.04544	12.5
146.06099	7.6
148.04042	39.3
159.02956	8.1
161.04543	28.3
166.10434	1.8
173.04582	9.6
173.07158	7.6
190.05135	2.0
215.08293	14.5
233.10245	9.5
243.88455	2.2
261.19943	2.1
277.09079	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54095	1.7
53.95148	2.2
55.01886	4.6
57.03455	3.0
57.95501	2.3
58.02988	4.1
59.01386	67.9
69.03452	2.2
71.01379	100.0
72.99299	2.5
73.02941	30.1
74.06788	2.3
78.95894	18.3
83.01394	11.6
84.04545	3.8
85.02945	48.6
87.00878	3.1
89.02448	26.6
92.05029	2.3
94.02616	2.0
95.01385	9.6
96.96970	13.9
99.00893	10.7
101.02444	60.8
113.02444	43.2
115.03993	36.3
118.26086	2.2
119.03456	3.9
128.03554	18.3
144.04581	3.6
148.04057	19.9
159.02968	4.5
161.04514	29.7
179.32881	2.3
179.58969	2.1
198.11929	2.4
215.08246	3.6
233.10294	5.5
259.07120	2.7
276.98907	18.6
277.09485	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	277.108
Annotation	Paniculide C
Peak:m/z	Relative Intensity
51.69394	0.7
91.47717	1.0
99.12454	1.0
101.11974	0.9
107.05003	1.0
130.01738	1.0
149.02423	5.0
150.03209	9.2
151.04008	63.5
153.01950	2.0
156.34149	0.8
171.68994	0.9
177.01926	19.1
182.09161	0.9
195.02994	53.3
267.80228	1.1
277.10815	100.0
277.21826	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	277.1445
Annotation	Mansonone N
Peak:m/z	Relative Intensity
131.79205	0.7
135.04552	1.3
146.03709	0.9
147.04515	5.1
149.06075	1.1
159.04526	3.3
161.06088	11.2
173.06149	0.8
175.04018	17.5
175.07654	6.1
185.06020	0.9
186.06866	1.5
189.05612	7.4
203.07158	8.0
204.07909	4.1
205.08713	1.8
221.11813	1.1
233.08185	1.3
248.10538	100.0
277.14453	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
54.11596	0.8
61.19812	0.7
63.02401	0.8
74.60806	0.8
79.95750	0.9
82.42500	0.8
91.01881	1.8
150.55173	0.7
180.89929	0.7
189.12825	1.0
189.16469	1.8
191.14349	0.8
205.16000	1.3
233.15489	24.0
233.19107	5.9
254.90640	0.9
259.13324	1.6
264.30405	0.7
277.14465	100.0
277.18027	7.5
277.21741	15.0
277.24927	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56656	0.6
58.94530	0.6
59.01384	3.5
61.32045	0.6
66.47690	0.7
69.40896	0.7
70.16755	0.6
73.01814	0.7
74.03875	0.6
81.54567	0.8
83.04995	0.8
147.32088	0.8
233.15506	0.8
233.19173	1.2
277.15036	2.0
277.18329	4.3
277.21719	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90931	0.5
59.01375	0.8
60.08662	0.6
61.25809	0.6
63.50431	0.5
70.47227	0.5
75.22775	0.5
201.03752	0.6
270.13794	0.8
277.21725	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.75565	0.6
58.83603	0.7
59.97803	0.8
78.39523	0.7
91.07960	0.8
145.14291	0.9
277.21729	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	278.067
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.00894	0.3
59.50620	0.4
71.01379	2.2
74.05682	0.3
78.75850	0.4
85.07405	0.5
86.34461	0.4
88.04040	18.4
98.26529	0.4
114.01971	3.0
115.00375	8.4
119.05035	9.6
125.71144	0.4
127.01665	0.4
132.03029	100.0
145.02972	2.8
162.05568	0.9
163.04005	2.2
190.16791	0.4
234.07648	0.7
239.65971	0.5
278.06723	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	278.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82838	0.6
71.05009	3.5
72.22203	0.8
72.99306	80.0
81.03437	0.9
82.25197	0.6
84.04488	0.8
92.30916	0.7
93.03455	0.7
96.04549	6.9
97.02969	3.1
99.04513	1.4
99.61626	0.7
114.05610	1.2
115.00422	0.8
115.04003	18.3
119.04999	13.3
119.41310	0.7
120.27535	0.7
121.02938	1.3
131.08650	0.9
132.03043	0.9
134.06108	5.5
140.00177	0.7
147.06651	0.8
160.04034	1.0
161.71513	0.7
162.05557	1.2
172.07726	1.3
174.09291	1.8
176.10794	4.1
184.07620	1.0
186.09215	0.8
199.18587	0.9
202.08748	1.2
204.10315	5.7
213.06050	0.9
231.50362	0.8
232.09796	5.8
260.09225	6.4
278.10330	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	278.1397
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
72.99306	70.3
87.70596	1.1
97.06582	1.3
99.08134	1.4
104.05048	1.1
114.09257	17.2
115.06989	1.2
115.07651	21.9
118.06599	1.6
119.05008	9.2
132.04527	1.8
134.06128	14.2
139.52063	1.1
144.04524	2.3
162.05585	8.2
180.06659	17.1
183.93912	0.9
186.94693	1.1
204.13922	18.4
216.13875	1.8
232.13440	20.6
260.12918	4.5
278.13974	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	278.1397
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
71.28503	1.2
72.99305	55.5
74.58415	1.0
78.51481	1.1
88.64505	1.3
98.55598	1.3
114.09251	14.1
115.07645	15.9
118.06591	1.2
119.05019	4.7
132.04549	2.1
134.06116	13.3
144.04529	2.4
147.85092	1.3
162.05624	9.6
180.06656	17.5
203.67628	1.1
204.13953	13.4
232.13437	19.9
260.12869	5.2
276.51254	1.5
278.13989	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	278.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02293	0.9
53.32468	1.1
66.97308	1.0
72.99306	69.5
72.99722	2.6
74.74992	1.0
97.06564	1.2
99.08168	1.5
104.48607	1.2
111.40031	1.2
114.09255	17.3
115.07658	22.9
118.06590	2.4
119.05025	10.9
132.04533	2.0
134.06123	15.5
144.04585	2.0
162.05594	9.2
162.56032	1.1
180.06657	22.2
189.81976	1.2
204.13930	18.5
232.13400	21.5
260.12952	6.1
278.13983	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	278.1398
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
72.99298	72.7
79.58054	3.8
81.50696	3.5
93.36118	3.5
96.11020	3.0
114.09251	17.5
115.07647	18.3
118.06638	3.6
119.04990	5.3
134.06122	13.6
162.05612	14.1
180.06633	19.2
204.13972	18.2
206.16364	3.9
213.25728	3.4
216.13924	3.4
232.13397	21.9
234.15697	4.0
246.12193	17.9
278.14005	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	278.1397
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
51.28869	0.9
51.78968	0.9
72.99304	61.1
99.08167	1.5
100.46181	1.1
109.35567	1.0
114.09228	14.5
115.07640	18.0
118.06628	1.8
119.05020	8.2
132.04539	2.2
134.02470	1.2
134.06122	16.0
144.04547	2.3
162.05634	9.3
180.06664	15.9
204.13890	18.0
209.23456	1.0
216.13971	1.0
232.13422	22.4
251.77968	1.0
260.13010	5.0
278.13983	100.0
292.05484	1.2
293.38025	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	278.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95441	1.3
72.99311	68.8
94.80664	1.5
99.08120	2.8
114.09254	15.4
115.07640	22.7
118.06672	2.3
119.05028	11.6
132.04549	1.9
134.06104	17.4
147.52776	1.6
148.94958	1.6
161.29295	1.5
162.05591	13.1
180.06664	21.0
204.13963	20.5
232.13455	21.4
260.12738	5.0
278.14005	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	279.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02602	0.3
55.01855	0.3
57.94545	0.3
59.01383	3.5
63.14647	0.3
71.01389	4.0
71.05026	4.2
82.45223	0.3
85.02946	1.4
86.02936	0.4
86.27357	0.3
87.04507	2.5
89.02441	1.7
94.06082	0.3
95.48792	0.3
99.04515	16.0
101.02444	2.4
108.93993	0.3
113.02403	1.4
115.04002	9.8
115.07655	1.6
117.04748	0.7
117.05572	14.5
119.03451	0.4
126.04324	0.5
129.51469	0.4
131.07138	0.8
161.08192	100.0
171.41634	0.4
185.98808	0.3
192.00620	0.6
217.08719	0.4
235.06009	0.4
235.09782	0.6
279.05103	0.6
279.08282	0.5
279.10925	2.1
279.13889	0.5
279.23337	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	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.72959	1.1
59.01386	100.0
61.34091	0.9
63.92104	0.9
71.01385	53.7
72.99349	1.1
73.02941	1.2
80.55533	1.1
83.01356	1.3
85.02915	7.8
89.02440	69.0
91.40429	0.9
94.80397	1.0
95.01372	2.1
101.01813	1.4
101.02449	36.8
101.77922	1.2
103.12815	1.0
113.02439	27.0
119.02694	1.9
119.03502	33.1
121.87591	1.1
124.18135	1.2
130.20175	1.2
131.03461	2.0
143.03517	2.2
161.04637	1.6
179.05592	2.3
206.23328	1.1
258.84711	1.1
279.07831	2.1
279.10867	47.5
279.13873	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	279.1238
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
55.23985	0.8
60.01534	0.9
61.98104	1.0
68.81782	0.9
71.05029	4.4
84.43331	1.0
93.03460	1.6
119.05011	1.3
135.04504	5.1
135.11772	3.8
137.06084	15.9
168.32707	1.1
173.06110	1.5
173.09700	6.4
175.11282	28.1
176.01100	1.6
191.03528	2.3
191.14424	13.9
205.12288	1.3
219.10286	19.7
220.11055	1.4
235.02538	2.0
235.13394	100.0
279.09232	3.1
279.12384	79.3
281.78610	1.2
285.05646	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	279.1237
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
53.50400	1.6
57.03458	4.2
59.35123	1.4
60.74043	1.4
69.03445	1.7
78.83253	1.5
83.05022	2.9
93.59032	1.5
97.02937	11.4
99.04502	7.9
107.04935	2.0
111.04486	2.1
115.81310	1.6
121.06647	2.9
123.08162	1.9
125.06058	3.1
136.05327	14.3
139.07658	6.7
147.11777	2.8
151.07648	100.0
151.11276	10.9
163.03998	2.6
167.07118	4.1
168.07938	31.1
169.08711	8.1
171.11775	8.4
175.11349	3.0
179.07101	2.5
180.08076	1.9
184.08929	25.6
187.11296	12.2
189.12866	16.8
191.10785	1.9
199.11287	19.1
201.09192	6.8
202.10039	7.0
205.12332	44.7
212.27466	1.9
215.10768	7.7
217.12343	69.8
235.13342	10.3
249.11090	2.0
261.11124	1.9
279.12518	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	279.1238
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
54.38530	1.2
62.48324	1.3
62.98175	1.4
67.74528	1.5
69.03445	1.5
71.67724	1.4
72.43300	1.6
85.06600	12.3
85.22372	1.8
85.46857	1.5
92.56118	1.5
93.03452	14.6
96.95984	1.6
97.02945	7.5
97.06585	2.2
104.61848	1.5
106.82447	1.4
107.05027	6.4
107.40866	1.6
109.06593	2.3
119.05013	13.5
121.02951	2.1
121.06583	3.8
123.08133	1.8
125.09713	2.3
135.04510	2.5
135.08154	8.1
137.06082	76.6
147.04564	2.2
148.01727	2.0
149.06050	6.4
149.09760	1.7
161.09840	2.0
163.04034	8.7
165.09210	9.1
175.11290	2.3
176.01208	12.1
176.04756	2.8
179.10791	3.8
187.11285	6.4
189.09190	2.4
191.03554	18.6
191.07152	8.6
191.10751	6.5
191.63365	1.6
202.99779	2.1
205.12321	23.6
217.12357	6.3
219.10281	3.2
220.11072	12.6
235.02466	17.0
235.06114	6.2
235.13397	100.0
261.00473	2.0
279.01480	6.6
279.05164	9.3
279.09567	4.0
279.12402	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
50.10725	0.5
51.13654	0.4
59.01381	3.0
63.74008	0.5
72.99307	0.7
73.27100	0.4
76.18711	0.5
80.88556	0.4
97.02945	1.3
97.06562	0.7
98.05035	0.6
113.05975	0.5
119.04935	0.7
121.02970	0.8
123.04540	0.5
133.02982	0.9
136.09044	0.6
137.02423	0.9
149.02423	4.8
150.03218	22.2
151.04001	15.4
151.07683	0.7
153.01892	4.8
163.11320	0.6
177.01930	22.4
181.12329	0.7
194.02211	1.2
195.02997	15.4
217.16019	4.5
261.14999	0.7
265.56146	0.5
279.12366	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	279.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20466	0.5
51.71516	0.5
59.01391	4.0
61.43531	0.5
61.52366	0.6
72.99309	2.8
73.99655	0.6
83.05036	1.1
93.03456	0.9
95.05003	0.8
95.14546	0.5
97.02926	2.4
97.06566	3.4
119.05075	0.6
120.64901	0.5
121.02987	0.9
121.10216	0.6
123.04517	0.8
125.06139	0.6
131.47290	0.5
133.03006	0.6
135.08159	2.3
137.02466	0.9
137.09726	1.0
139.07596	1.2
149.02420	5.2
150.02107	0.9
150.03227	18.9
151.04004	18.4
151.07587	0.7
153.01944	5.5
163.04021	0.9
163.11279	3.5
177.01944	22.2
181.12277	0.6
186.92680	0.6
189.12872	0.8
194.02185	1.4
195.03003	15.2
217.15971	9.6
261.14899	3.9
279.12341	100.0
279.23236	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	279.1602
Annotation	5alpha-Hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
50.83058	0.3
117.44756	0.4
191.14380	0.4
203.14455	2.6
205.15955	2.1
207.17606	5.9
235.17024	1.0
239.03285	0.4
247.13393	100.0
279.16220	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	279.1603
Annotation	5alpha-Hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
50.72325	0.7
59.01391	0.9
96.95985	1.4
129.57793	0.9
203.14473	1.9
207.13852	1.5
207.17534	1.1
247.13393	100.0
274.29111	1.0
279.16122	7.8
279.23270	1.1
292.42474	1.0
303.50565	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	279.1602
Annotation	Mairetolide E
Peak:m/z	Relative Intensity
57.03471	0.5
59.01404	0.4
67.46044	0.4
76.93036	0.4
77.60788	0.4
78.46160	0.3
81.03459	8.0
83.01379	0.7
96.96023	1.7
107.01431	0.4
111.14889	0.4
118.75642	0.4
122.03759	1.6
125.02454	6.2
140.75043	0.4
151.00314	0.9
153.24184	0.5
169.15962	0.7
193.15970	3.7
195.13895	7.0
211.17091	0.4
217.15915	0.4
230.70638	0.4
235.17044	64.5
261.14978	1.6
279.16034	100.0
279.22638	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	279.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75520	0.7
59.01380	0.8
65.70313	0.7
70.67790	0.7
78.71753	0.8
80.79463	0.7
92.20169	2.1
95.31908	0.8
119.48272	0.9
164.82867	0.8
177.12842	5.3
188.31856	1.0
223.17075	7.8
235.17038	6.0
235.20714	4.9
251.20186	18.3
261.18582	13.0
279.19656	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	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.02836	0.7
52.29021	0.8
59.01376	1.1
60.42155	0.8
111.61246	1.0
113.09717	7.8
120.65603	1.1
135.05508	0.9
139.11256	2.0
205.15947	1.3
235.20534	1.4
251.20187	31.3
261.18604	12.8
279.19656	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	279.1967
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
58.35639	0.9
59.01361	1.2
68.77885	0.9
70.40336	0.8
72.80019	0.9
92.19411	0.9
113.09731	7.4
129.01054	0.9
132.08681	0.9
135.32797	0.9
139.11345	1.5
142.92459	0.9
165.09151	0.9
179.43454	0.9
205.16101	1.2
225.27454	1.0
234.70554	0.9
235.20766	2.0
236.36092	1.0
251.20158	31.2
261.18552	11.3
279.19666	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.41653	1.7
59.01370	3.1
60.68645	1.6
70.14333	1.7
72.56760	1.7
89.14716	1.7
94.80203	1.9
152.45264	1.9
192.25900	1.9
213.08859	2.3
275.23163	1.8
279.23267	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01377	0.5
62.31876	0.6
72.12260	0.5
80.31933	0.5
92.19879	1.0
150.88329	0.5
189.29993	0.5
261.22360	0.5
279.23297	100.0
280.69919	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.47834	0.2
59.01386	0.5
62.32991	0.2
147.49799	0.2
185.11099	0.2
245.27850	0.2
278.63943	0.3
279.23294	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	280.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
58.79316	0.5
62.68093	0.5
70.15239	0.5
71.01388	0.7
73.86025	0.5
78.16750	0.6
85.22903	0.5
87.00877	30.3
92.00623	0.6
94.02982	100.0
100.00388	1.1
101.00716	0.6
101.62423	0.6
116.62314	0.6
118.05080	1.1
124.04058	0.8
129.01932	1.0
132.04556	11.0
135.04463	2.7
147.01926	1.1
147.03004	18.9
148.07677	4.8
158.06274	0.6
160.02654	5.8
161.03085	7.3
163.02766	1.1
163.04008	16.5
167.97765	0.7
178.08342	0.6
190.05185	2.6
191.27126	0.6
192.06667	15.2
193.19577	0.6
219.05809	0.7
236.05650	78.8
240.93231	0.8
272.61786	0.6
275.23965	0.7
280.04611	8.9
280.08136	1.7
282.35236	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	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63725	0.4
57.03452	2.3
59.01385	4.9
71.01363	0.9
75.00832	0.7
83.01381	0.6
85.02920	0.7
86.17578	0.5
87.00881	3.8
88.93487	0.5
89.02428	0.6
92.28233	0.5
94.02979	28.5
96.00877	1.1
99.00880	2.4
101.02456	0.7
107.05022	0.8
109.02927	0.5
111.00864	1.1
114.13657	0.5
129.01906	2.6
131.03764	4.7
132.04555	64.5
134.03735	4.2
135.04529	10.6
145.02930	3.2
146.02455	0.7
147.02997	20.6
148.07747	0.6
163.04010	100.0
181.46886	0.5
187.78154	0.6
190.02640	0.7
190.03288	0.7
190.05103	13.7
192.06651	4.1
201.39499	0.5
206.00951	0.6
236.05646	22.9
242.91766	0.6
270.61633	0.6
280.04919	2.0
280.08298	11.1
280.11115	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	281.103
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
55.01876	1.5
62.55025	0.9
69.80812	1.2
73.02947	24.5
85.61686	1.0
99.00875	64.2
113.61093	1.1
117.01927	80.8
122.03722	6.5
151.07622	1.8
181.08708	100.0
221.24561	1.1
237.14903	1.3
259.52206	1.3
266.05777	7.5
281.10226	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1032
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
61.00755	1.3
82.98964	1.3
93.03442	2.1
95.01389	2.5
97.02932	3.3
101.06085	1.4
113.02417	1.8
120.03814	1.4
123.52191	1.4
125.02412	10.0
125.05998	8.1
137.02351	7.5
151.07719	11.2
153.05554	1.4
155.03435	6.2
165.09218	20.4
167.06947	2.1
169.28732	1.5
179.10739	3.3
180.29190	1.5
197.04417	8.1
209.08206	100.0
219.10298	2.1
221.08168	23.6
235.09590	7.2
237.14908	2.0
251.09039	2.3
263.09085	7.0
281.10144	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1181
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
50.67696	0.6
57.25778	0.6
70.14892	0.6
70.78140	0.6
92.31068	0.6
155.91603	0.6
232.09521	0.6
251.07132	26.6
266.09479	100.0
281.11829	58.6
281.14252	1.4
281.24658	1.1
281.79391	0.6
297.96515	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	281.1183
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
50.60704	0.5
55.93335	0.6
59.01384	0.9
60.23061	0.6
64.33518	0.6
92.20090	1.2
113.16317	0.9
120.09902	0.6
221.55101	0.7
251.04359	1.1
251.07129	74.6
266.09491	61.7
281.11841	100.0
281.21280	2.5
281.24872	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	281.1185
Annotation	Ohobanin
Peak:m/z	Relative Intensity
59.01387	0.8
62.08130	0.7
93.03454	3.0
97.40827	0.7
106.04252	1.4
107.62322	0.8
117.03468	1.4
121.02952	1.0
130.04230	1.4
146.03726	1.3
147.04478	2.3
149.13435	0.8
151.07643	60.4
156.27635	0.9
160.05319	1.2
165.09262	1.2
197.04561	0.8
209.08208	8.8
221.08238	1.4
222.06918	3.1
236.08412	9.1
237.15112	1.2
253.12395	3.9
265.96448	0.8
268.07324	0.8
279.10281	7.0
280.11203	1.7
281.08322	5.0
281.11911	100.0
299.52124	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	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.1
57.03448	2.4
59.01384	100.0
68.16116	1.9
68.33544	2.6
70.90099	1.7
71.00997	3.6
71.01379	88.2
72.99318	2.1
73.02933	22.8
83.01379	15.5
85.02945	35.7
87.04457	2.4
89.02441	54.3
95.01364	4.1
99.00848	7.9
101.02444	77.9
106.01789	1.8
108.77316	1.9
113.02449	40.3
117.03372	1.8
119.03506	17.5
119.07137	15.4
121.26888	2.1
129.01952	2.4
136.99092	2.3
140.99243	2.0
143.03474	4.0
159.02960	7.5
161.04543	46.7
163.03990	2.1
179.05550	4.4
180.27835	1.8
191.03485	18.1
210.62880	2.0
271.65558	1.7
281.06647	11.4
281.12415	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20324	0.9
57.03459	11.7
67.05540	1.1
71.01386	11.8
73.02940	2.4
102.58773	1.0
108.67277	0.9
141.62909	0.9
151.07646	23.9
161.09766	1.2
179.10771	33.2
191.10786	6.7
198.07249	1.0
205.08646	1.2
209.11823	7.5
223.09811	7.1
237.14958	6.2
263.12976	7.3
281.13965	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	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28684	0.6
52.48198	0.7
57.03453	1.4
59.01382	1.6
60.76878	0.7
70.42258	0.8
71.01390	10.4
71.07756	0.8
73.02924	1.1
88.47903	0.7
107.08681	1.1
111.04509	1.4
123.08128	3.3
123.32912	0.8
146.42484	0.9
151.07648	27.6
154.29121	0.7
161.09698	1.9
163.07666	1.3
179.10793	13.1
205.08620	1.2
207.13811	1.2
219.13933	1.7
223.09743	1.1
229.05301	0.8
237.12511	1.6
237.14973	75.0
281.13956	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	281.1395
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
59.01389	2.8
63.45268	0.7
69.03460	6.1
71.05006	1.5
81.66315	0.8
85.06582	1.2
92.89124	0.8
96.95993	2.0
97.02939	8.9
97.06594	1.7
107.05040	1.2
109.02962	1.3
109.06602	4.5
121.06567	3.4
122.71366	0.9
123.04501	1.8
123.08182	1.0
125.02465	0.9
135.04582	0.9
135.08162	1.2
137.09828	1.5
149.06064	1.6
151.04021	3.2
151.11304	6.9
160.05406	0.9
163.11293	3.9
164.09525	1.0
165.09227	8.1
167.03596	0.9
175.04089	1.7
175.07716	1.8
178.02692	1.0
181.12332	28.2
191.10764	4.4
193.05112	7.4
193.12355	12.7
207.13893	13.9
209.15472	2.0
213.49220	0.9
219.13889	4.9
221.04539	3.7
221.11830	21.6
237.03978	1.2
237.14969	100.0
249.04042	1.7
263.12912	1.4
281.03159	1.7
281.06766	6.9
281.13937	79.7
281.24808	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	281.1394
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
55.56633	0.8
59.12331	0.8
73.78005	0.7
92.19405	1.3
98.80666	0.9
99.76550	0.9
121.67297	0.8
127.92401	0.8
133.97800	0.8
134.88118	0.8
139.06215	0.8
191.14429	41.2
193.15985	24.2
209.07607	0.9
211.17073	1.8
219.13907	6.1
237.14969	100.0
281.13953	62.5
281.17072	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
53.19005	1.7
54.57703	1.4
55.66524	1.6
57.03449	11.4
57.16052	1.7
59.01383	15.6
60.58342	1.8
73.02994	2.0
83.05041	13.0
87.00883	16.3
95.05015	3.3
111.04500	3.6
111.08144	3.9
117.01946	4.2
119.05025	4.0
121.06597	2.9
123.08176	35.7
137.09752	4.5
139.03914	2.3
139.07629	7.6
145.10237	3.9
151.07643	4.3
153.09221	3.4
163.03983	4.5
169.10225	3.3
171.11783	46.2
175.11349	1.9
189.12822	16.4
201.12860	13.1
201.88354	1.8
207.13879	11.6
213.61862	1.7
219.13864	6.8
230.80467	2.2
237.14963	52.0
272.31104	1.8
281.13965	100.0
281.17102	3.7
281.24854	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	281.1395
Annotation	Pseudomajucin
Peak:m/z	Relative Intensity
57.03437	10.7
59.01379	10.3
69.03440	7.5
80.33382	1.5
83.05013	11.6
87.00869	12.2
92.20097	3.4
95.05039	1.8
96.95994	6.4
108.02171	1.8
111.04504	3.3
111.08132	3.3
114.89163	1.8
121.06599	2.8
121.19619	1.5
123.04497	2.1
123.08152	29.9
137.09717	6.1
139.07607	2.6
145.10217	3.7
146.63956	1.5
149.09703	2.0
151.07610	3.1
153.09183	3.4
169.08708	1.7
169.10199	2.3
171.10413	2.4
171.11803	39.3
175.11246	1.9
177.05673	2.2
189.12860	14.2
193.05080	2.7
193.08638	1.9
193.12399	1.9
201.12836	13.4
206.43103	1.7
207.13933	17.8
219.13892	9.9
220.06401	1.6
221.04567	1.7
237.03928	2.4
237.07695	3.0
237.14928	42.8
251.12874	11.1
263.12982	3.0
281.03583	1.5
281.06830	9.5
281.13940	100.0
281.24481	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	281.1395
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.67112	1.8
58.95857	2.0
69.03455	3.6
97.02967	4.1
107.05002	2.2
109.06602	3.0
121.06595	3.6
123.08164	2.9
145.07089	2.1
151.11264	4.5
163.11317	4.4
165.09181	5.2
181.12398	21.6
189.12869	3.4
193.12349	11.7
205.12355	3.1
207.13927	10.0
219.13928	4.2
221.11900	16.1
237.14977	97.1
261.28177	2.6
281.13940	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	281.1395
Annotation	Hymenoxon
Peak:m/z	Relative Intensity
59.01373	1.9
67.01903	0.7
69.03465	2.2
74.47176	0.6
91.20891	0.6
92.19398	0.5
160.21780	0.5
177.12897	1.2
179.14528	0.7
188.24329	0.5
191.14427	47.7
193.15982	12.6
219.13928	2.5
235.13382	34.7
237.14969	69.3
250.67987	0.5
281.13953	100.0
281.24860	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.41762	1.4
57.03460	1.3
59.01386	6.3
61.55973	1.1
63.23358	1.3
96.50255	1.3
111.08150	42.3
125.09722	11.5
127.07688	2.0
139.11259	1.8
141.09209	5.7
151.07729	1.4
153.09236	2.3
155.10805	1.8
169.08694	100.0
171.10274	2.9
183.10295	11.2
183.11919	1.2
199.09760	2.0
219.17561	2.0
235.17050	6.6
237.14975	2.9
263.16483	17.0
281.14529	2.9
281.17563	48.0
281.24826	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	281.1759
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
57.03448	3.9
59.01396	23.0
64.02063	2.8
71.05031	31.6
72.94906	2.6
85.06570	4.8
87.04497	5.2
92.20181	6.0
96.95998	7.4
97.06580	13.4
111.08205	4.3
118.84354	2.9
140.06940	3.3
147.11827	3.5
156.96776	3.3
163.11304	3.3
167.10750	29.8
181.12386	50.0
193.12326	11.9
195.13892	16.2
201.16460	13.4
205.12350	7.4
209.11897	3.8
219.17590	5.5
223.13377	28.1
245.15511	4.2
263.16534	46.6
281.14508	6.4
281.17554	100.0
281.24884	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
57.03438	8.3
59.01376	30.6
64.11880	4.7
71.05009	23.1
76.51425	5.6
86.08987	5.7
94.48895	5.3
97.06630	8.8
109.63329	5.4
111.08147	8.2
111.89479	5.9
125.09702	7.4
143.07156	7.1
155.07130	6.9
161.13335	7.3
165.18202	6.4
181.12372	97.1
193.12314	12.5
195.13927	46.6
201.16534	10.8
205.12376	23.4
219.17612	8.3
223.13437	100.0
263.16568	53.9
268.45291	5.7
281.17557	71.3
281.24850	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	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
51.91890	1.5
52.02013	1.7
58.68219	1.8
59.01389	3.3
71.13721	2.1
263.52991	2.0
277.94098	1.9
281.24878	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	281.2486
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
59.01381	0.7
66.60001	0.5
75.88225	0.5
76.21550	0.5
79.58927	0.5
104.29892	0.6
158.61963	0.7
158.63498	0.6
186.78613	0.6
202.84160	0.6
281.24869	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	281.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00821	0.3
110.76728	0.4
113.94040	0.4
240.22368	0.4
275.08820	0.4
281.24872	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	282.0846
Annotation	Guanosine
Peak:m/z	Relative Intensity
58.01641	1.1
64.07594	1.0
64.79419	1.1
68.44785	1.1
73.71894	1.0
76.02737	1.0
92.01978	1.2
105.53789	1.2
107.03638	2.2
108.02035	2.7
130.08757	4.9
133.01587	12.2
150.04221	100.0
177.38565	1.3
190.90582	1.1
257.92163	1.2
281.96396	1.3
282.08429	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	282.2074
Annotation	epi-Tumonoic Acid D
Peak:m/z	Relative Intensity
57.59690	0.3
70.87045	0.4
78.66028	0.3
81.64211	0.4
110.09761	0.4
111.45878	0.4
125.09768	0.4
127.11294	2.7
129.13109	0.4
138.09209	0.6
157.23308	0.4
171.10107	0.4
206.12695	0.4
236.20212	2.1
248.86922	0.4
264.16827	0.6
264.19592	6.3
280.19141	2.8
282.20746	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	283.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	91.7
61.96461	0.5
69.47262	0.6
78.53019	0.5
78.95902	0.8
93.01768	0.6
116.41431	0.6
139.14931	0.5
157.03580	14.8
159.01486	2.8
159.44194	0.5
159.92809	0.6
201.02567	100.0
251.63387	0.6
283.26483	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	283.0612
Annotation	Genkwanin
Peak:m/z	Relative Intensity
59.01383	0.9
69.83664	0.5
73.83615	0.5
75.98263	0.5
78.33951	0.5
84.53076	0.5
90.07738	0.6
106.71373	0.6
117.84187	0.6
159.52994	0.5
180.74692	0.7
190.63388	0.6
209.85898	0.6
240.04147	0.6
265.18063	5.2
268.03781	100.0
283.06128	64.8
283.19211	12.8
283.22235	1.0
283.23401	0.9
283.26370	12.0
293.09439	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	283.0825
Annotation	Helicid
Peak:m/z	Relative Intensity
54.89219	0.8
59.85608	0.8
83.31974	0.9
107.09386	1.0
121.02957	100.0
132.10789	1.0
134.34393	0.9
135.04486	0.9
135.10556	0.9
153.10069	0.9
157.74869	0.9
162.04358	0.9
175.75171	0.9
239.03500	3.8
278.75064	0.9
283.02472	11.6
283.15524	6.6
283.26425	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	283.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71248	6.1
59.01390	49.6
63.79411	5.5
71.01373	34.9
85.02969	11.7
89.02451	100.0
90.98220	6.4
101.02464	34.9
103.00407	11.0
113.02406	12.4
121.05091	11.6
121.94968	6.5
146.70639	6.5
175.93771	8.2
179.05603	7.0
283.02377	10.9
283.10324	38.1
283.26407	49.4
283.43521	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	283.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70814	0.6
57.03455	1.0
59.01370	3.2
59.96452	0.7
64.03536	0.8
66.49680	0.9
69.81927	0.7
74.22276	0.8
78.88290	0.7
82.34682	0.8
96.96039	1.0
101.02437	6.5
123.04546	1.0
132.35912	0.8
135.04512	1.0
136.04024	0.9
149.82771	0.8
152.03508	1.4
153.04326	8.8
154.05109	9.8
162.05574	1.4
165.05574	3.9
166.05080	7.2
167.03551	1.0
167.05797	0.9
168.06606	0.8
178.05101	1.3
180.06668	100.0
181.07167	3.2
188.07198	1.0
209.09312	4.0
235.07155	1.5
237.08788	9.9
237.10870	1.0
238.09593	59.0
253.66292	1.0
268.10651	15.5
283.06052	3.7
283.12997	75.0
283.26443	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	2.1
59.01386	45.7
71.01379	7.1
84.13761	1.3
85.02941	2.3
89.02425	5.9
97.67103	1.4
101.02439	6.4
102.18808	1.4
111.71880	1.4
153.04300	11.8
154.05119	6.1
157.03583	3.3
165.05534	1.9
166.05104	6.6
168.06717	1.7
171.54413	1.5
180.06671	100.0
187.39085	1.5
201.02562	48.8
209.09247	2.3
212.45168	1.5
235.07246	3.5
237.08836	13.1
238.09593	61.6
250.09402	1.6
268.10660	14.0
283.10535	3.2
283.13025	73.2
283.26419	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	283.1339
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
59.31986	0.4
68.08209	0.4
73.42054	0.5
76.20296	0.4
89.72039	0.5
90.78915	0.4
92.20111	0.5
95.97124	0.4
151.03273	0.4
159.04523	12.0
160.78101	0.5
175.04051	4.6
186.06862	7.1
187.03883	0.5
200.04860	0.7
209.09709	0.9
211.07626	3.5
225.05634	2.0
240.11562	1.1
250.09991	1.1
253.08690	26.6
267.10284	12.4
268.10928	4.1
283.13403	100.0
283.26382	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	283.134
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
59.22210	0.5
66.78565	0.4
84.58204	0.4
96.24049	0.5
97.73802	0.4
210.03264	0.8
225.05576	12.6
253.08691	1.1
268.11047	100.0
283.13388	62.3
283.26407	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	283.1341
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
50.16495	0.9
59.01381	1.3
85.78246	0.8
87.69510	0.9
95.19756	1.0
97.10165	1.1
137.09688	1.4
146.78635	1.0
209.09932	1.0
223.11307	1.4
225.05554	4.0
240.11571	2.2
250.10033	4.8
251.10965	1.1
253.08698	21.4
267.10315	1.8
268.11081	20.1
283.02618	1.3
283.13400	100.0
283.19333	2.1
283.23187	1.4
283.26419	42.0
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
58.44880	1.1
59.01384	100.0
60.22446	1.1
88.58480	1.2
99.04492	1.9
100.73331	1.3
115.04006	3.3
176.51936	1.4
255.02942	7.7
283.02432	6.7
283.11389	6.4
283.15106	2.3
283.26401	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
57.03457	6.0
59.59552	0.3
70.40496	0.3
83.05014	0.4
85.50028	0.3
97.06515	0.4
106.85896	0.4
123.08152	0.8
125.09702	0.7
151.11211	0.8
153.12871	5.6
163.11313	1.4
179.10788	2.4
181.12355	10.6
193.12354	0.5
194.39688	0.3
211.07726	0.5
215.52600	0.4
224.04791	5.9
225.11139	2.6
227.48769	0.4
234.84116	0.5
237.14970	10.7
239.07164	4.2
239.16545	1.5
265.14465	1.7
271.97876	0.4
283.02615	4.0
283.15527	100.0
283.26312	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	283.1705
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
52.38551	1.6
74.95094	1.8
88.92518	1.7
92.96416	1.9
107.05029	89.4
132.64156	2.2
150.97531	2.1
160.51831	1.5
163.11282	98.5
190.51398	1.7
242.93845	1.7
254.51314	1.9
283.17065	100.0
283.22870	23.7
283.26468	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0928
Annotation	Stauranthine
Peak:m/z	Relative Intensity
72.99306	73.4
77.81937	1.3
83.78767	1.0
88.42764	1.1
92.75285	1.2
94.49315	1.0
104.05065	1.9
117.03411	1.1
119.05033	19.4
120.04543	14.0
120.85458	1.4
121.02948	23.5
132.04565	5.6
142.85683	1.2
153.21552	1.1
210.09267	27.4
232.80116	1.2
238.08717	20.4
253.77390	1.4
266.08237	6.9
284.09293	100.0
284.26859	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	284.0927
Annotation	Stauranthine
Peak:m/z	Relative Intensity
54.67384	1.0
58.05930	1.2
72.99306	74.2
75.72082	1.1
76.61343	1.1
78.12173	1.2
91.31638	1.2
104.05064	2.7
107.44688	1.1
108.35249	1.2
119.05028	18.3
120.04551	15.4
121.02942	19.4
132.04581	2.7
139.52510	1.4
151.27043	1.3
162.80292	1.2
168.67331	1.3
210.09264	23.1
238.08752	20.7
247.12071	1.3
266.08224	7.3
284.09302	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	284.0928
Annotation	Stauranthine
Peak:m/z	Relative Intensity
71.20398	0.8
72.99307	81.0
91.67647	0.8
104.05051	2.1
110.91125	0.8
119.05016	21.6
120.04552	18.1
121.02945	27.9
132.04555	4.9
163.03912	0.8
165.54102	0.9
210.09265	25.1
220.07858	1.1
238.08731	24.9
266.08298	8.9
272.24597	1.0
284.09296	100.0
284.26804	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	284.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23402	1.2
72.99310	65.1
73.29108	1.1
82.49125	1.3
82.80020	1.3
89.37830	1.0
90.20824	1.3
93.27118	1.3
104.05064	1.9
116.17036	1.4
119.05008	12.9
120.04548	11.7
121.02959	21.1
132.04507	2.7
149.27031	1.1
152.55722	1.3
159.81310	1.2
203.22937	1.3
210.09264	21.5
215.25348	1.1
238.08699	18.8
266.08279	6.9
284.09290	100.0
284.26828	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	284.0929
Annotation	Stauranthine
Peak:m/z	Relative Intensity
71.65980	0.7
72.99305	69.2
91.34998	0.7
102.03497	1.0
104.05048	1.5
111.48264	0.7
119.05020	15.8
120.04563	11.9
121.02950	24.5
132.04543	4.3
210.09248	23.5
238.08730	21.6
266.08279	7.7
284.09302	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	284.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60968	1.2
56.37655	1.2
59.37600	1.0
72.99309	71.1
72.99721	2.4
92.20225	1.1
104.01096	1.2
119.05009	18.4
120.04548	14.5
121.02932	24.5
132.04550	2.5
166.59621	1.2
210.09268	26.7
238.08711	20.3
248.81264	1.3
262.81238	1.2
266.08286	7.2
284.09293	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	284.0929
Annotation	Stauranthine
Peak:m/z	Relative Intensity
50.16415	1.0
50.88729	0.9
52.18865	1.1
54.15512	0.8
54.18084	1.0
55.46358	1.0
71.68185	1.0
72.99308	70.4
75.91610	1.1
104.05077	1.7
110.92667	1.3
114.95795	1.3
119.05025	17.4
120.04546	16.0
121.02954	26.1
128.24765	1.1
132.04524	2.3
190.05824	1.1
210.09242	21.4
238.08745	22.2
251.13165	1.4
266.08075	8.3
284.09305	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	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36870	0.4
57.77275	0.4
59.42605	0.4
62.80045	0.4
65.00320	0.4
107.01398	0.4
107.38445	0.5
121.67459	0.3
133.02945	9.9
146.37166	0.4
149.02444	2.4
151.00356	8.4
167.59909	0.4
171.04483	0.4
175.03998	3.8
198.03334	0.4
199.03983	3.4
201.01807	0.5
217.04956	2.7
229.04832	0.4
241.05016	2.2
243.02966	0.9
285.04053	100.0
292.33569	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.66032	0.3
60.06858	0.2
83.01382	0.4
92.19524	0.6
93.03432	0.5
105.51556	0.3
107.01382	1.4
123.63252	0.3
135.00867	0.5
143.05046	0.4
151.00351	2.3
159.04567	0.4
165.01964	0.4
169.06487	1.1
173.02426	0.4
181.87535	0.3
185.06053	1.7
187.03976	0.5
211.04042	0.6
211.13412	0.7
213.05678	1.1
214.02679	0.4
215.03546	0.4
229.05061	1.3
239.03424	0.5
241.05066	0.4
243.02936	0.5
257.04489	0.5
285.04047	100.0
285.20578	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34940	0.4
61.61746	0.4
65.00349	0.5
78.28079	0.4
82.74715	0.4
83.01394	0.5
91.27308	0.4
99.69196	0.4
106.35070	0.4
107.01364	1.9
107.41439	0.4
126.40948	0.4
133.02939	10.3
149.02440	2.8
151.00375	7.3
151.77435	0.4
175.03996	5.7
197.06148	0.5
199.04034	4.2
201.01917	0.7
209.07927	0.4
213.05742	0.6
217.05035	3.4
241.05098	2.1
243.02890	0.8
257.04538	0.5
285.04068	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	285.0405
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
52.13268	0.9
52.78632	0.9
56.09373	0.9
59.01378	1.4
59.88093	0.9
128.52525	1.1
144.47742	1.2
147.04518	2.0
160.01584	1.1
161.02451	5.5
171.04526	4.2
174.03214	4.5
175.04004	100.0
189.05469	2.0
197.06007	1.8
198.03149	1.3
199.04015	47.3
201.01961	4.6
213.05591	7.3
214.02853	1.2
217.05055	49.8
233.97331	1.0
241.05055	21.1
243.02962	4.1
257.04517	2.2
259.25705	1.1
268.35248	1.0
284.33270	1.0
285.04050	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25674	0.9
61.72681	1.0
66.34454	1.0
68.40405	1.0
68.88397	1.1
73.02924	1.2
79.06825	1.2
88.02398	1.1
88.02924	1.1
88.37553	1.1
125.02448	1.5
161.02451	6.5
163.03969	1.4
171.04631	1.5
173.02454	1.2
174.03177	2.3
175.04001	54.0
179.10605	1.4
199.04024	41.6
201.01970	10.5
213.05591	5.9
217.05046	26.9
229.05209	1.8
241.05028	14.6
243.03098	1.8
257.04596	2.6
273.80948	1.2
285.04071	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	285.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00492	0.3
59.01381	0.5
71.01419	0.4
75.00891	0.4
87.00925	0.3
89.74485	0.3
91.01883	4.3
100.75388	0.4
108.02161	2.8
111.00868	0.6
123.04517	41.8
124.01630	0.4
135.03003	4.7
152.01147	3.1
156.01227	4.2
163.11446	0.3
167.03491	100.0
175.03984	0.8
177.01996	0.4
181.70140	0.4
217.04941	0.4
228.04311	0.4
243.06636	2.0
269.04593	0.5
283.82565	0.4
285.06293	3.6
285.13284	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	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41988	0.2
59.01379	1.3
63.94157	0.2
68.66020	0.2
71.01385	6.2
73.02941	2.1
81.03469	0.4
83.01364	1.0
83.52340	0.2
85.02952	2.3
89.02441	0.4
95.01381	0.5
95.04969	0.3
99.00881	1.6
101.02437	3.9
108.02176	0.5
109.02947	0.6
111.00842	0.5
113.02431	3.1
121.02928	1.8
122.03735	100.0
123.04518	11.8
123.05420	0.5
125.02438	4.1
129.01875	0.3
135.04515	0.5
137.02473	0.9
137.06082	1.5
143.03491	0.3
147.04517	1.1
151.03969	0.4
159.02979	0.5
161.04555	5.0
165.05550	5.2
177.05563	1.6
178.02681	2.1
193.05031	1.2
198.69551	0.3
205.53241	0.3
209.04712	0.3
239.05644	0.5
256.31622	0.3
267.05185	0.4
285.03314	0.3
285.06302	1.9
285.09885	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	285.098
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
59.01102	0.5
59.01382	5.7
71.01383	7.8
71.64039	0.3
73.02951	2.3
82.30856	0.3
83.01381	0.7
84.22279	0.3
85.02953	2.9
89.02444	2.4
93.03458	0.7
95.01440	0.5
95.05021	3.0
96.96984	1.4
97.02968	0.4
99.00897	0.5
101.02448	4.2
105.01950	0.4
107.05039	1.9
113.02451	3.7
119.03519	0.5
122.03728	2.0
123.04518	100.0
140.37032	0.4
144.01718	0.4
151.04001	0.3
159.03072	0.4
161.04567	1.7
165.01985	0.5
165.05534	0.8
167.03465	0.5
197.08180	0.4
204.08484	0.4
285.03796	0.8
285.06631	1.3
285.09808	9.6
307.89792	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30480	0.6
56.49212	0.7
57.03420	0.9
59.01384	21.4
59.81569	0.7
60.67746	0.8
67.91148	0.8
92.19464	1.1
122.19195	0.9
137.09720	1.0
211.13432	11.6
223.16978	9.5
225.14970	100.0
232.43117	0.7
247.92982	0.7
271.05014	0.8
285.04083	17.1
285.17102	61.2
285.20544	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54216	0.8
50.65335	0.8
52.26398	0.8
55.16752	0.8
57.03447	7.8
67.21589	0.9
69.46885	0.9
71.01382	15.1
73.49429	0.9
83.52534	1.0
89.39989	0.9
109.06541	1.1
110.89752	1.1
117.03618	1.0
118.21603	0.9
125.09766	1.4
127.85242	1.2
137.09718	15.0
139.47578	1.0
151.11264	5.5
160.58783	1.0
165.12816	5.2
175.04066	2.4
199.03966	5.2
209.11830	6.3
213.05481	1.7
217.05049	1.3
241.01443	1.3
241.05185	1.7
255.16058	11.0
264.63995	1.1
267.16052	21.3
285.04050	19.1
285.17105	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.10893	0.6
58.62223	0.7
58.87664	0.6
74.38500	0.7
88.76451	0.8
118.04951	0.9
119.85105	0.9
120.89462	0.8
204.19592	1.0
210.99049	0.8
223.20676	91.1
267.19662	49.0
285.04028	14.2
285.20712	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01382	100.0
60.41412	0.7
77.82909	0.9
91.37167	0.8
93.51597	0.8
153.76732	0.9
169.93498	0.8
223.20685	4.2
285.04059	18.7
285.20724	95.4
291.14511	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.23991	0.3
56.51999	0.4
63.18453	0.4
78.95902	2.8
80.07638	0.4
110.20027	0.5
111.08114	0.5
125.23721	0.5
127.11275	2.4
141.12854	0.7
166.11650	0.6
239.20190	1.7
267.19568	5.0
283.19141	1.2
285.04089	2.6
285.20721	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	285.2436
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.90231	0.4
58.45774	0.4
65.77472	0.4
67.34595	0.4
188.94106	0.5
239.23770	6.6
253.25362	10.6
263.23703	0.5
263.77707	0.5
267.23352	2.2
281.24811	6.4
283.23175	0.8
283.26431	29.0
285.24411	100.0
285.27945	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.75451	0.7
58.74319	0.7
69.47417	0.8
74.06110	3.3
89.02538	0.8
91.00412	0.9
91.96346	0.8
95.50450	0.8
100.55692	0.9
101.36519	0.9
101.69402	0.8
240.23349	4.5
286.04346	6.5
286.21042	9.8
286.23865	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	287.0561
Annotation	Isookanin
Peak:m/z	Relative Intensity
58.43488	0.9
87.00882	2.2
97.02953	1.5
108.02158	9.2
109.02950	38.4
111.00881	5.2
121.02947	4.5
124.01639	1.7
125.02437	17.6
133.02983	6.1
135.04526	1.9
137.02463	6.0
139.03941	1.4
149.02458	2.2
150.03220	2.7
161.02423	5.2
165.01900	1.5
172.05240	1.8
173.06096	5.0
175.03999	6.3
177.01947	14.2
177.05563	6.4
178.02748	12.4
179.03502	1.4
183.04567	2.4
187.07596	1.4
189.05548	1.6
191.07169	1.6
197.04541	2.1
200.04776	9.5
201.05586	52.8
213.05481	1.5
215.07143	4.6
216.04349	2.5
217.05058	27.7
219.06618	15.4
225.05518	6.3
235.07364	1.3
240.04172	1.2
241.04980	1.6
243.06627	55.9
247.03606	1.1
259.06082	6.8
269.04581	5.1
287.05637	100.0
307.57602	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	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.55062	0.5
58.09764	0.6
62.82564	0.5
63.02399	1.0
64.73945	0.5
65.00331	6.3
83.01405	4.2
88.88210	0.6
104.16176	0.6
107.00700	1.0
107.01388	19.2
109.02920	2.1
116.75204	0.6
125.02430	5.5
135.04524	96.5
151.00365	100.0
161.02492	0.6
165.01851	0.7
169.01317	0.7
230.43405	0.6
240.78217	0.6
287.02084	2.5
287.05603	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	287.0561
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03457	2.1
61.64557	0.8
63.02381	1.3
65.00314	4.2
69.68295	1.0
71.86090	0.9
81.03472	0.8
82.66998	0.9
83.01367	7.1
93.03445	1.3
107.01370	3.9
109.02934	1.6
125.02436	100.0
131.03523	0.9
133.02901	1.5
141.94098	0.9
151.00360	13.2
152.01125	11.1
153.01945	2.1
156.05814	1.1
157.06561	3.5
159.04491	1.8
168.51364	1.0
172.05238	1.3
173.06041	7.7
177.05542	17.8
178.99916	1.8
180.00655	4.3
199.07657	4.7
201.05565	10.1
213.05595	1.1
215.07133	6.3
219.06781	2.1
243.06570	12.1
259.06110	74.0
269.04532	4.7
287.05618	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	287.0563
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
57.03459	3.4
61.70280	0.4
72.78209	0.4
76.25537	0.4
82.91326	0.4
92.20056	0.5
125.02440	100.0
161.02415	3.9
162.03215	2.8
201.05525	0.9
219.06627	2.7
287.05624	32.1
308.88956	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	287.0563
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.97706	0.3
57.03456	5.2
57.11698	0.3
59.01394	0.3
69.01759	0.3
79.03402	0.3
83.01389	0.7
92.20107	0.5
93.03475	0.4
109.02975	0.7
118.05378	0.3
121.02943	1.6
123.04573	0.4
125.02446	100.0
133.02974	0.5
137.02443	2.1
149.02431	1.4
159.04453	0.4
161.02452	15.9
162.03242	2.1
164.01163	4.9
165.01945	3.0
173.06105	0.4
187.03966	0.4
199.04013	0.6
201.05620	1.3
215.03368	0.5
215.07170	0.6
217.04941	0.4
219.06618	1.4
225.05582	0.6
228.04338	0.7
241.05052	0.5
243.03110	2.3
243.06580	2.1
245.04474	0.6
259.02563	0.4
269.04636	2.9
272.03427	0.4
287.02066	1.8
287.05594	20.4
287.08765	0.7
287.11279	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	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04053	0.7
58.99255	0.6
67.25665	0.7
69.44231	0.7
73.20341	0.8
85.75099	0.7
87.89529	0.8
99.10585	0.8
116.90316	0.7
125.02423	4.8
173.03574	7.4
183.05626	11.4
207.78363	0.7
215.04636	35.8
225.06657	1.2
243.07817	5.6
255.06282	0.8
259.06018	3.0
287.06750	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	287.1654
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
59.01381	1.7
59.84503	0.8
71.60414	0.8
73.38692	1.0
74.91683	0.9
77.95596	0.9
92.20070	2.8
97.06599	1.1
111.19434	0.9
114.73325	0.9
115.05509	1.2
117.07095	100.0
125.02450	4.0
125.09705	10.0
141.71434	1.0
164.17456	0.9
168.40204	1.0
173.03316	0.9
193.53157	0.9
259.05838	1.3
269.15527	1.4
287.05408	2.0
287.16525	76.2
287.21823	10.2
290.14032	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	287.1866
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
57.03440	3.0
59.70702	0.7
75.85768	0.8
80.65961	0.7
99.08177	3.6
108.95739	0.8
113.09719	1.7
125.09709	1.0
176.25644	0.7
197.19170	0.9
207.17554	44.0
225.18564	3.7
243.19824	1.1
250.20718	0.7
251.16525	41.7
269.17603	25.0
287.04785	1.1
287.18665	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01384	89.6
81.64842	0.9
82.77570	1.0
86.43539	0.8
88.35181	1.1
88.89091	0.9
97.97844	1.1
116.27525	1.0
125.02455	1.8
136.66058	1.0
137.24550	0.9
148.40483	1.0
151.17578	1.0
203.05928	1.0
227.20055	1.5
269.21280	1.7
287.13013	6.9
287.22293	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
52.66651	0.4
56.36507	0.4
72.77562	0.4
73.62415	0.4
73.68261	0.4
127.11307	0.7
138.21448	0.4
141.12822	0.6
143.10811	0.8
214.73717	0.5
241.21672	2.1
269.21198	3.1
285.20728	2.2
287.22290	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	288.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96160	2.0
58.70305	2.0
63.20507	1.9
65.00324	5.4
66.00667	2.3
74.29310	2.1
77.81080	2.3
83.01406	2.8
89.42801	2.0
107.01395	18.6
108.01736	12.1
126.02817	3.1
134.03261	2.1
135.04535	87.7
136.04848	100.0
136.65579	2.5
151.00371	96.7
152.00703	77.2
276.09976	2.6
276.25272	2.2
288.04932	76.3
307.59607	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	288.1202
Annotation	Ophthalmate
Peak:m/z	Relative Intensity
51.24165	1.7
52.32179	1.6
56.41726	1.5
59.41296	2.2
70.02975	1.8
74.02468	48.7
82.02982	8.9
83.01373	2.5
88.60218	1.6
98.06084	2.3
100.04044	13.9
102.05601	13.9
112.04005	9.7
115.08759	48.9
120.28262	1.8
125.02462	20.7
125.07175	12.6
126.02798	20.4
128.03514	39.1
139.08804	2.8
141.06726	22.9
143.34970	2.2
145.06245	7.4
146.04567	4.4
151.08769	20.5
152.07190	2.6
159.07767	46.9
167.04610	12.2
169.09830	13.2
182.11290	1.8
186.32475	1.8
187.46368	1.8
195.07767	47.6
208.10941	4.4
213.08809	7.6
226.11992	23.8
270.10934	55.5
288.12003	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	289.0331
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
55.49840	0.3
58.32750	0.2
58.59350	0.3
62.10869	0.3
78.95903	0.7
85.02956	2.6
93.03423	0.5
96.96945	2.5
105.42435	0.3
121.76191	0.3
127.04018	0.6
173.04614	0.4
191.05629	100.0
289.03378	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	289.0355
Annotation	Anhydrofulvic acid
Peak:m/z	Relative Intensity
57.03442	2.3
65.00352	2.2
71.01400	2.1
81.03454	8.5
81.51937	2.0
83.01374	7.5
93.03449	7.5
95.05025	2.8
97.02939	7.7
107.01386	2.6
109.02955	50.4
121.02974	4.2
123.04531	17.7
125.02444	58.7
135.04517	11.0
137.02434	63.4
139.04005	3.6
147.04578	3.7
149.02477	9.6
151.00363	21.8
151.04008	26.5
152.01073	3.3
159.04509	4.0
160.05284	2.3
161.02437	7.3
161.06105	8.8
164.01169	4.6
165.01920	10.0
165.05586	3.6
173.06079	4.0
174.03249	3.1
175.03940	13.1
177.05548	1.9
177.22566	2.2
178.32553	1.9
178.99959	3.3
179.03506	20.4
187.03999	10.2
188.04820	8.5
189.05521	3.9
191.05676	2.1
193.05005	14.7
199.03909	2.0
201.05623	7.5
203.03506	10.5
203.07204	24.2
205.01410	8.4
205.05087	10.9
216.04301	8.9
217.05074	16.8
221.04581	34.2
221.08185	8.1
226.06569	1.8
227.03622	6.9
227.07063	2.6
245.04520	46.9
245.08192	24.8
247.02480	55.1
261.04037	3.0
289.00452	3.8
289.03552	97.6
289.07190	100.0
289.12555	3.4
289.16321	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	289.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
65.00352	2.2
71.01400	2.1
81.03454	8.5
81.51937	2.0
83.01374	7.5
93.03449	7.5
95.05025	2.8
97.02939	7.7
107.01386	2.6
109.02955	50.4
121.02974	4.2
123.04531	17.7
125.02444	58.7
135.04517	11.0
137.02434	63.4
139.04005	3.6
147.04578	3.7
149.02477	9.6
151.00363	21.8
151.04008	26.5
152.01073	3.3
159.04509	4.0
160.05284	2.3
161.02437	7.3
161.06105	8.8
164.01169	4.6
165.01920	10.0
165.05586	3.6
173.06079	4.0
174.03249	3.1
175.03940	13.1
177.05548	1.9
177.22566	2.2
178.32553	1.9
178.99959	3.3
179.03506	20.4
187.03999	10.2
188.04820	8.5
189.05521	3.9
191.05676	2.1
193.05005	14.7
199.03909	2.0
201.05623	7.5
203.03506	10.5
203.07204	24.2
205.01410	8.4
205.05087	10.9
216.04301	8.9
217.05074	16.8
221.04581	34.2
221.08185	8.1
226.06569	1.8
227.03622	6.9
227.07063	2.6
245.04520	46.9
245.08192	24.8
247.02480	55.1
261.04037	3.0
289.00452	3.8
289.03552	97.6
289.07190	100.0
289.12555	3.4
289.16321	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75852	1.0
58.58088	0.9
81.03453	2.1
83.01427	1.2
86.95535	0.9
87.35282	1.0
95.05009	6.5
97.02972	9.2
109.02941	36.1
121.02963	2.2
122.03673	1.1
123.04507	20.9
125.02448	24.3
135.04524	1.8
137.02449	12.7
138.03168	1.6
139.03996	5.7
146.03761	1.3
149.02412	7.2
151.04016	16.3
159.04529	1.2
160.05286	1.6
161.05992	7.3
162.03204	1.1
164.01143	5.3
165.01854	4.2
167.03589	2.0
175.04002	1.9
175.07652	2.3
179.03514	8.4
187.03986	5.8
188.04782	5.6
202.06389	6.5
203.07124	20.4
205.05080	11.6
212.33629	1.0
220.52896	1.0
221.08220	10.4
222.41661	1.0
227.07082	5.8
245.08182	29.9
289.07184	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	289.0718
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
50.37216	1.0
57.03458	1.7
60.27182	1.1
62.33973	1.1
69.91399	1.1
81.03456	2.1
83.01394	3.1
95.05024	3.1
97.02944	7.5
97.71304	1.5
103.21040	1.5
106.00945	1.4
109.02947	43.0
121.02913	2.6
123.04504	21.5
125.02414	25.2
135.04575	1.8
137.02425	13.8
139.03989	3.0
145.06412	1.2
146.03741	1.5
149.02423	6.4
151.04028	16.7
160.05292	2.7
161.06053	7.6
162.03160	2.4
164.01160	5.6
165.01971	6.8
167.03529	2.1
175.03983	2.6
175.07579	2.5
179.03516	9.0
187.04019	6.9
188.04826	5.0
202.06226	2.3
202.40958	1.4
203.07135	22.3
205.05049	13.0
221.08173	12.1
227.07170	2.9
245.08167	32.7
247.06085	1.8
255.12764	1.3
263.90762	1.4
289.07187	100.0
289.10471	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88763	1.2
81.03436	5.5
83.01376	5.3
95.05024	5.8
97.02953	12.1
109.02954	41.3
121.02960	5.8
123.04530	25.2
125.02444	31.3
134.08133	1.3
135.04535	2.2
137.02477	16.4
139.03987	6.2
149.02426	7.0
151.03999	22.8
159.04535	2.6
160.05264	1.7
161.06107	9.0
162.03218	2.0
164.01158	5.5
165.01897	7.3
166.02673	2.0
167.03496	1.8
170.47650	1.3
175.03967	2.7
175.07616	2.1
179.03549	11.7
185.05960	1.7
187.04005	8.1
188.04784	6.5
195.80190	1.4
202.06393	5.0
203.07135	30.6
205.05043	18.5
221.08125	10.3
227.07083	5.3
245.08217	31.6
247.06102	1.6
271.06198	1.9
271.36081	1.3
289.07184	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	289.072
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
54.07064	0.5
57.03454	1.4
58.07473	0.6
60.67631	0.7
61.45859	0.6
64.89149	0.5
73.14645	0.7
81.03452	4.2
83.01399	3.5
83.80943	0.6
93.03445	1.7
95.05032	5.1
96.69911	0.6
96.95937	1.0
97.02960	10.6
108.02142	0.8
109.02956	42.0
111.04536	0.9
121.02940	5.1
122.03728	1.0
123.04526	23.0
125.02449	35.2
126.88502	0.6
130.18680	0.8
134.38670	0.6
135.04520	3.5
137.02444	21.4
138.03258	0.8
139.04007	7.7
145.02950	0.7
146.03690	1.1
147.04536	1.2
149.02448	8.2
150.03227	1.5
151.00349	4.0
151.04022	20.3
153.01961	6.7
157.06499	0.8
159.04494	4.5
160.05249	1.4
161.06085	9.0
162.03241	2.6
163.04048	0.9
164.01178	8.9
165.01929	10.1
165.05605	1.1
167.03508	3.6
173.02444	1.0
173.06001	2.6
174.03172	1.3
174.06909	0.7
175.03990	5.2
175.07591	4.3
177.05449	0.8
178.99803	0.7
179.03513	13.3
185.05991	1.1
187.04022	8.9
188.04779	7.7
191.03519	0.8
201.02028	0.9
201.05573	1.0
202.06445	4.9
203.03448	1.1
203.07166	22.9
205.05058	16.9
209.04559	1.6
212.04802	1.4
217.01454	0.9
217.05045	2.9
221.08197	9.2
227.07219	4.8
230.05814	1.5
243.02933	1.2
245.04527	5.0
245.08217	30.4
247.02419	1.0
247.06133	1.2
252.44101	0.7
266.70105	0.7
271.02365	0.9
271.06268	2.5
289.00247	4.3
289.03674	11.4
289.07172	100.0
304.46933	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	289.083
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
58.02984	17.7
70.02963	10.5
72.00909	2.5
72.04556	1.7
74.02470	68.8
97.02949	2.1
98.02473	21.1
101.02438	1.6
104.17873	1.4
109.02977	11.9
116.03538	18.5
116.05050	28.1
123.04514	6.9
125.02460	9.9
130.06583	2.0
133.62701	1.3
135.04524	1.5
137.02455	2.4
142.06622	6.0
151.04012	6.6
159.04568	1.2
159.09283	10.1
159.20212	1.4
163.04004	1.9
179.03574	3.9
183.09215	1.5
186.05595	1.3
187.04047	1.5
188.04875	1.6
201.10323	7.1
203.08331	84.7
205.05014	5.8
221.08218	1.7
227.07144	2.1
245.09364	100.0
248.34479	1.1
263.81491	1.4
289.07156	29.7
289.16516	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	289.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	14.8
59.41238	0.9
70.02972	11.7
70.66251	1.0
72.00911	2.2
72.04530	4.2
74.02474	75.2
75.50554	1.0
76.76316	1.0
81.03455	1.9
86.06711	0.9
95.05042	3.7
97.02937	4.9
98.02482	16.4
101.02444	1.4
107.17572	1.1
109.02944	17.1
116.03540	19.9
116.05060	29.8
121.02971	1.6
123.04504	6.5
125.02457	13.8
128.73015	1.0
130.06627	2.4
137.02434	8.4
142.06633	7.9
149.02440	5.0
150.03275	1.0
151.04013	8.8
159.09248	11.0
161.06029	6.2
164.01128	1.5
165.01891	2.5
179.03540	4.7
186.05519	1.1
187.03999	3.9
188.04849	4.3
196.93047	1.1
201.10312	6.6
202.06406	1.5
203.08366	85.4
205.05046	4.6
221.08189	5.2
227.07109	1.4
245.09390	100.0
289.04016	1.7
289.07184	49.7
289.16519	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	289.1447
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.37965	0.7
51.67350	0.7
54.60564	0.7
55.44009	0.7
76.12971	1.0
82.00607	1.1
92.02667	27.4
93.03448	1.7
95.01390	14.9
108.02178	15.9
109.02962	4.0
119.08665	5.2
123.00880	1.2
123.04543	1.1
125.02437	1.3
136.01662	78.4
137.02454	12.1
146.07390	4.1
149.58807	0.9
151.03831	0.9
179.31866	0.8
203.07123	1.5
205.05014	0.9
245.15477	5.5
289.07379	10.9
289.14490	100.0
301.67395	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	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.9
59.01381	12.3
71.01374	3.0
71.05030	2.4
81.03460	13.4
83.01391	3.0
83.05009	2.6
87.04549	2.5
92.37123	2.0
95.04983	2.2
97.06588	2.3
99.04514	16.6
101.02448	51.4
101.08532	2.0
109.02923	2.2
115.03998	13.3
119.56064	1.8
125.02462	2.4
125.09708	3.1
131.03491	10.0
147.11781	10.1
169.12296	3.2
191.14401	3.1
194.78767	2.2
197.11862	2.4
217.33148	1.9
235.13400	9.8
253.14470	15.2
271.15506	22.3
289.03656	2.5
289.06979	2.5
289.16583	100.0
289.19836	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	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01310	1.4
57.03456	3.1
59.01385	27.6
60.06940	1.8
61.57857	1.9
65.37144	1.6
71.01379	2.7
81.03450	9.7
85.02955	2.9
97.02932	7.7
99.04507	20.3
101.02440	65.2
109.02952	4.6
115.03989	12.7
123.04499	4.0
125.02441	7.4
131.03528	13.9
137.02466	3.5
139.11292	3.5
161.13333	3.2
169.12355	3.6
193.05226	1.8
197.11862	4.3
235.13414	2.9
245.08029	3.1
253.14456	18.1
271.15561	18.5
289.03900	4.9
289.07224	11.2
289.16568	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	289.1656
Annotation	oscr#14
Peak:m/z	Relative Intensity
53.41895	1.3
54.50399	1.4
57.03446	1.9
58.15294	1.3
59.01373	13.5
69.03450	1.4
70.48244	1.4
71.01377	2.1
71.05012	6.2
72.53178	1.4
73.02941	1.3
74.02467	3.4
81.03456	9.6
83.01307	1.7
83.66769	1.4
85.02941	1.5
87.04533	2.9
91.93164	1.4
97.02987	1.9
97.06551	1.8
98.04203	1.4
98.95155	1.5
99.04528	20.3
101.02438	71.0
101.03107	2.3
115.03985	15.2
118.84373	1.5
119.08652	12.9
131.03513	15.8
137.09711	7.7
143.03514	2.0
151.11185	2.2
163.07629	14.9
181.08748	9.8
203.08412	2.4
245.09341	2.0
253.14458	3.4
271.15472	21.3
289.07254	2.1
289.16589	100.0
289.19839	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	289.1657
Annotation	oscr#14
Peak:m/z	Relative Intensity
52.89304	0.8
54.99704	0.9
57.03448	5.3
58.00611	0.9
59.01378	10.9
60.80337	1.1
69.03470	1.6
71.01372	2.1
71.05031	2.4
74.02468	4.7
75.27168	1.2
81.03460	11.1
81.87113	1.1
83.01396	2.0
83.05029	8.1
85.02944	5.2
87.04509	5.0
97.02959	4.8
99.04523	29.6
99.08152	5.3
101.02441	100.0
109.02911	1.6
109.06583	4.2
111.04510	2.1
113.02436	1.3
115.03988	4.0
115.51135	1.1
116.03469	1.3
123.04501	1.8
125.02347	3.2
131.03500	18.8
139.11263	2.1
143.03416	1.4
149.06013	1.8
151.11287	34.3
167.07100	1.4
169.12384	1.6
173.13470	1.3
191.14468	2.3
196.05330	1.1
199.74149	1.1
203.08434	2.9
235.13345	4.6
245.09325	2.4
253.14436	17.6
271.15497	17.9
289.04010	1.2
289.07239	6.4
289.16577	87.7
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	Tuberatolide A
Peak:m/z	Relative Intensity
55.50878	0.7
58.54955	0.7
59.01375	3.5
71.94268	0.7
75.44572	0.9
82.43696	0.7
83.60529	0.6
83.62386	0.9
92.20034	1.0
96.66185	0.7
106.04254	1.5
109.06590	12.0
111.08142	3.1
113.05746	0.7
113.26561	0.8
123.08154	1.1
145.06566	4.0
149.09688	1.8
167.10799	3.3
180.38625	1.0
181.12402	1.1
209.57158	1.0
244.51830	0.9
245.19110	6.2
247.16852	1.2
287.16528	1.6
289.18094	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	289.2174
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
59.01378	6.1
59.70550	0.9
60.73292	0.9
118.31929	0.9
121.96146	1.1
162.55850	1.0
165.89307	1.0
176.53003	0.8
180.78438	0.8
187.09413	0.9
198.55981	1.0
203.07156	1.0
219.22238	1.0
245.22754	1.0
287.45880	1.0
289.07120	1.3
289.21747	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	291.1087
Annotation	Itoside L
Peak:m/z	Relative Intensity
59.01383	94.2
65.75156	1.9
67.05563	3.0
71.01382	62.7
73.02932	11.6
76.75601	2.5
83.01366	4.8
85.02948	17.6
87.00872	4.8
89.02441	61.2
92.20094	4.2
93.03445	5.3
95.01383	8.3
99.00891	4.5
100.93290	2.1
101.02443	61.0
101.51756	2.2
104.20739	2.2
111.00877	2.3
111.04508	15.0
113.02435	27.4
117.05576	7.4
119.03497	21.0
120.89697	2.4
123.51509	2.2
129.05620	15.4
143.03459	3.4
161.04510	3.5
173.04573	15.3
180.16336	2.3
203.57707	2.5
211.04489	2.0
238.68404	2.4
247.11772	11.0
291.10867	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	291.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33388	20.5
54.04684	19.4
59.61493	24.5
84.46794	26.6
102.53169	26.8
104.89816	26.4
106.53928	23.5
112.13326	26.2
291.19705	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	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.72538	0.7
56.38678	0.8
72.23419	0.9
91.81145	0.9
108.65969	1.0
111.08139	5.3
121.10226	15.7
125.09702	7.9
185.11818	13.3
195.13876	4.6
197.11794	1.6
211.13393	1.1
291.19675	100.0
301.24567	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.63029	0.4
59.01382	0.6
59.27111	0.5
60.41002	0.4
61.45808	0.5
63.42424	0.5
69.79565	0.5
82.37012	0.5
91.86417	0.6
92.19394	0.5
99.88295	0.5
104.78578	0.6
111.21165	0.6
131.15900	0.5
134.78302	0.5
148.08948	2.4
151.11266	0.6
163.11281	0.9
165.12840	24.4
176.12178	0.6
191.14403	0.8
221.39130	0.7
247.20653	12.8
273.18579	5.6
282.15903	0.6
286.42123	0.5
291.19675	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60909	0.7
57.03465	0.9
70.06604	0.8
76.70967	0.8
77.44025	0.7
93.07148	0.8
97.06579	1.0
116.54325	0.7
121.10218	20.8
123.08136	1.0
125.09705	8.3
127.84298	0.9
141.12914	0.9
185.11836	15.5
197.11865	3.6
209.11769	0.9
211.13425	1.2
247.20731	1.7
268.92139	0.8
273.18582	1.9
285.04773	0.8
291.19678	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28768	0.7
56.38434	0.8
58.02524	0.8
59.01379	2.1
71.05023	29.2
82.13096	1.1
89.06301	0.8
97.06577	10.4
127.27734	0.8
181.12399	1.8
195.13893	1.0
207.13895	1.9
219.13951	3.8
235.17059	6.7
247.20705	1.5
273.18558	3.1
291.19687	100.0
293.43475	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
58.20681	2.0
59.01368	3.6
65.60550	1.9
66.57935	1.8
87.14708	1.9
94.70719	2.0
234.10950	2.0
291.09091	25.7
291.20010	5.9
291.23294	100.0
294.68604	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	291.2332
Annotation	Grevillol
Peak:m/z	Relative Intensity
51.50248	2.1
52.64608	2.7
60.90860	2.6
67.90939	2.4
86.54688	2.5
90.27750	2.7
95.81541	3.5
182.86952	2.9
247.20869	4.3
291.09085	44.7
291.20093	5.6
291.23297	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	291.2331
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03451	1.9
58.00592	2.6
59.01379	1.4
62.00209	1.0
69.03441	1.3
71.01376	1.7
73.02944	21.5
83.05040	2.8
84.02179	2.8
85.02950	2.0
85.06589	1.1
97.06590	2.7
105.82086	1.4
111.08163	2.0
121.10243	16.4
125.06119	2.6
125.09732	8.7
139.07610	2.3
141.12808	1.4
153.12805	1.3
179.61052	1.2
185.11800	14.6
197.11847	2.2
219.21736	1.3
236.20546	1.4
247.16946	1.3
255.21140	2.6
261.22238	4.9
263.20203	1.7
263.23697	5.3
273.18625	9.1
273.22223	19.5
291.09134	9.3
291.19669	100.0
291.23294	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0829
Annotation	(+)-2,7-Dideoxypancratistatin
Peak:m/z	Relative Intensity
55.35790	1.0
55.95761	1.4
59.01380	2.8
62.04684	1.1
62.31890	1.1
64.63601	1.2
66.07877	1.2
72.04546	30.1
79.80511	1.3
82.02985	100.0
83.01379	1.9
92.19421	1.7
98.02474	33.3
100.04041	26.9
110.96895	1.1
126.01979	20.2
131.54691	1.2
138.69667	1.2
144.02948	1.1
147.04526	24.5
164.07202	31.1
187.07626	8.9
204.10226	1.5
230.08205	9.1
242.28300	1.2
246.07698	7.1
248.09219	4.4
274.07242	21.0
292.08264	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1557
Annotation	Anastrozole
Peak:m/z	Relative Intensity
53.57899	2.3
59.43326	2.2
62.84623	2.2
67.59940	2.2
71.67375	2.1
72.99310	64.1
96.86868	2.4
99.52225	2.5
114.86006	2.9
119.05006	5.7
128.10823	12.3
129.09201	15.8
134.06136	13.0
144.04356	3.4
180.06674	17.6
182.05997	3.1
218.15498	15.4
246.14911	14.5
292.15585	100.0
300.06918	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
59.01383	100.0
60.32599	1.2
68.53935	1.4
71.00999	2.2
71.01382	53.3
73.27360	1.4
75.72474	1.3
83.01384	1.7
85.02949	5.6
87.04518	6.2
89.02440	92.9
100.58609	1.2
101.02431	29.7
104.80988	1.6
113.02450	33.4
119.03490	31.5
125.02403	10.8
131.03500	19.5
143.03474	6.1
149.04610	1.4
161.04553	6.6
179.05611	27.1
233.04512	8.5
233.06621	4.8
249.07617	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	293.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
70.02961	1.7
71.01372	4.7
71.05025	24.0
74.00690	8.8
82.02982	4.9
89.02428	1.4
89.75611	1.0
99.04525	6.4
101.00697	2.1
101.02481	1.7
111.05657	2.5
113.02489	1.3
116.07172	6.9
127.05081	1.1
128.01765	62.6
128.03429	1.6
129.05550	1.7
129.57645	1.1
131.07133	5.6
137.02396	1.9
140.25928	1.1
145.04388	7.5
145.06149	1.5
145.08685	1.2
146.08231	100.0
163.05405	1.4
167.03474	2.4
177.05608	1.3
203.07079	1.8
210.55484	1.1
221.08266	1.4
237.58260	1.2
275.10709	75.7
293.12057	14.2
306.75562	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.7
66.02226	1.1
71.01374	14.8
75.43760	1.6
82.03001	1.4
85.02943	1.1
85.06587	6.9
87.00877	1.4
89.02438	20.8
92.19428	1.5
101.02436	13.8
113.02462	6.1
113.06077	5.6
119.03466	5.4
131.06232	2.5
131.07152	55.2
195.95934	1.4
216.50418	1.4
293.12436	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	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28732	0.7
59.01099	1.6
59.01385	34.5
68.33206	0.7
71.01383	15.4
85.02937	3.3
85.06609	9.3
89.02451	20.6
99.00925	0.8
101.02442	17.2
102.34892	0.8
106.61213	0.7
112.64375	0.8
113.02470	8.4
113.06084	5.4
115.07679	1.8
119.03500	8.6
127.07648	3.4
131.07141	65.1
173.08195	1.0
177.27725	0.9
269.55820	0.7
293.12460	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90283	1.2
59.01383	100.0
68.54097	1.3
71.01380	44.6
73.02939	1.3
83.01401	1.5
85.02937	6.8
89.01913	2.3
89.02441	60.3
95.01376	1.7
101.02449	37.7
111.33010	1.5
112.75146	1.5
113.02438	22.5
113.06053	2.4
117.17315	1.5
119.03484	24.4
131.07069	1.8
141.13701	1.8
145.08679	3.6
147.04478	1.9
159.04428	2.3
167.03453	2.9
179.05649	2.1
181.22331	1.5
187.07550	1.8
188.85622	1.5
189.78813	1.7
203.07030	2.7
251.55592	1.6
293.07034	4.9
293.12399	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28587	0.7
51.34132	0.6
51.75589	0.6
52.09641	0.7
55.55430	0.6
59.01384	55.5
60.44473	0.6
62.24989	0.7
65.31928	0.8
71.01381	25.3
73.02931	1.5
83.01387	1.3
85.02943	4.7
85.06619	0.8
87.00846	2.8
89.02433	32.3
94.84773	0.7
95.01375	1.8
101.02438	21.3
113.02444	15.9
113.06075	10.6
119.03497	12.2
120.04565	0.7
125.02493	1.2
131.07135	11.3
131.11732	0.8
137.02472	1.8
138.03224	1.0
145.05060	1.2
145.08749	1.1
159.04500	9.4
160.05321	1.0
167.03488	1.2
175.07570	1.0
187.07658	1.9
203.03462	3.1
203.07216	1.9
210.71761	0.8
219.06732	2.9
221.08157	1.8
221.12961	1.2
231.06647	1.8
249.07690	3.6
293.06955	3.9
293.12451	100.0
300.00522	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40923	1.5
59.01388	81.1
66.78511	1.3
67.41952	1.3
71.01389	37.6
83.01385	1.5
84.69433	1.3
85.02931	5.8
87.75172	1.3
89.02443	42.8
92.20068	1.4
95.01392	3.2
99.00887	1.5
101.02450	26.7
113.02454	25.6
113.06082	8.8
119.03509	18.5
131.07130	6.3
159.04529	11.6
187.07724	2.2
203.03580	3.1
219.06625	2.3
231.06541	2.3
240.11034	1.6
249.07697	6.6
282.89447	1.7
293.07050	4.7
293.12457	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	293.1396
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
68.45713	0.4
85.60423	0.4
93.51228	0.4
97.06598	3.1
116.99699	0.4
121.06577	0.7
125.62592	0.4
135.68205	0.4
141.30838	0.3
163.04002	10.3
169.68097	0.4
189.12871	1.5
191.14464	3.0
205.12447	0.5
217.12280	3.0
219.13951	2.9
221.15479	7.9
249.15010	4.6
261.11325	100.0
293.13937	5.2
293.17172	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	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93840	0.5
76.31049	0.7
95.36879	0.7
96.96009	85.9
104.33627	0.6
109.19254	0.6
111.52861	0.6
149.25160	0.6
179.75159	0.6
220.14662	1.3
221.15569	4.2
224.46962	0.8
236.10547	3.4
265.17203	0.7
293.17947	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	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34500	0.3
58.71115	0.4
71.47295	0.4
96.96004	76.6
187.48047	0.4
188.59090	0.4
205.12004	0.4
220.14697	1.7
221.15454	4.3
233.62434	0.5
236.10594	2.6
293.17935	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23016	0.5
57.03452	2.8
59.01382	2.5
61.50809	0.5
66.42507	0.5
68.30516	0.5
111.89040	0.6
112.32951	0.6
113.09718	27.0
113.10502	1.1
121.10263	2.4
121.11741	0.6
125.12171	0.6
139.11279	1.4
139.25706	0.6
153.07220	0.6
167.10739	3.4
171.10289	6.1
177.12810	0.9
179.10851	2.0
195.13872	5.3
221.15436	1.1
249.19202	0.6
249.22165	2.8
250.09903	0.9
275.20135	8.6
277.00095	0.7
293.21228	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	293.2124
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.46857	1.3
59.01385	2.4
80.72511	1.3
89.34882	1.4
96.18994	1.4
121.10223	43.5
127.07684	1.8
171.10272	71.5
183.13914	13.5
185.11838	6.6
211.13481	1.8
231.21104	7.2
275.20166	100.0
293.21234	95.2
308.55225	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	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.37571	0.9
59.58331	0.9
74.28470	0.9
103.54541	1.0
111.50841	1.1
195.13902	11.9
196.14662	1.8
223.13408	13.0
224.14120	1.1
244.04309	1.0
256.13229	1.7
263.58124	1.0
275.20206	5.6
293.21249	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	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03450	0.6
57.75175	0.5
61.51730	0.4
67.65681	0.4
70.74512	0.4
85.33715	0.5
92.19432	0.6
96.96021	0.6
97.06591	0.6
123.08118	0.5
125.09730	6.6
141.12845	2.2
147.99791	0.5
149.09772	3.2
151.47418	0.5
167.14426	0.6
183.13928	0.6
185.11841	13.8
197.11789	3.6
213.08366	0.5
220.14618	0.9
221.15425	3.8
236.10527	2.1
249.22144	0.7
265.21747	0.6
293.21240	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.22596	0.7
57.03447	1.4
71.01385	1.1
82.37310	1.0
85.06612	0.8
90.96411	0.8
92.19354	1.2
113.09724	16.2
125.09736	3.6
139.11295	1.2
149.09662	1.7
167.10771	1.5
185.11844	7.4
190.07832	0.9
195.13898	3.3
197.11823	1.4
214.73055	0.8
220.14658	9.8
221.15474	16.2
236.10567	13.9
249.22316	2.9
293.17987	4.1
293.21240	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	294.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18805	0.6
59.59553	0.5
64.99263	0.6
71.01379	2.8
74.84143	0.5
84.77495	0.6
88.04032	15.0
109.02969	1.2
110.33109	0.6
111.41860	0.6
114.01971	2.5
115.00397	5.8
116.09621	0.6
116.63299	0.6
131.05031	0.6
132.03024	100.0
135.04520	10.4
161.02498	5.2
164.05470	0.6
179.03496	6.7
206.08228	0.9
213.23048	0.8
276.05310	1.0
294.06204	15.9
299.26169	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	294.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76947	0.7
61.47228	0.8
67.13167	0.9
72.99311	41.8
74.26991	0.8
101.51656	0.9
112.07702	3.4
113.06083	2.2
118.06625	4.5
119.05042	5.1
121.06825	1.0
130.08728	4.5
131.07152	14.1
134.06139	20.0
162.05624	13.3
162.09274	1.1
180.06673	37.5
180.08253	1.3
202.12407	1.9
202.22261	1.0
218.11809	1.4
220.13423	1.9
246.51308	1.0
248.12923	5.9
276.12445	1.0
294.13510	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	294.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46862	0.6
72.99309	52.6
74.42382	0.6
85.06593	1.1
112.07710	1.0
113.06038	0.9
115.07693	1.1
118.06640	2.9
119.05021	8.2
130.08745	4.5
131.07150	20.6
134.04582	0.7
134.06123	21.0
148.07671	1.5
162.05634	9.5
176.10733	1.3
180.06677	27.2
186.09262	4.7
220.13380	6.1
230.11867	5.4
231.99425	0.7
242.60127	0.7
248.12927	7.9
249.47762	0.8
260.49664	0.7
276.12503	2.9
294.13507	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	294.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87500	1.0
57.03441	2.2
59.01363	1.0
63.73005	1.0
71.66173	1.1
78.76208	1.2
113.09722	20.2
114.10041	9.9
179.10806	1.4
196.14259	1.4
198.56853	1.3
227.00017	1.1
250.22595	1.7
267.38931	1.2
294.21567	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	294.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57117	2.3
82.09781	2.1
84.19693	2.3
87.56101	2.3
126.10095	2.4
164.28217	2.6
185.11790	3.2
186.12198	4.8
207.23656	2.6
222.15851	11.8
237.10817	3.2
279.10135	3.1
294.18286	3.7
294.21545	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	295.0456
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
50.41495	0.4
71.01389	6.7
72.99301	0.8
87.00900	0.5
89.02448	0.8
98.82121	0.5
115.00365	36.0
121.02952	39.2
133.01428	100.0
135.04524	16.8
155.03539	0.9
173.04544	0.7
179.03497	15.4
295.08163	0.7
318.21088	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	295.0612
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.38589	0.3
55.09534	0.3
59.01376	0.4
61.53621	0.3
61.85716	0.4
64.31916	0.3
69.03985	0.4
81.58409	0.3
92.20086	0.8
93.03453	100.0
121.02939	1.8
124.62386	0.4
133.01450	0.8
135.04494	0.4
146.03735	2.3
147.04538	6.0
193.65456	0.3
223.07710	3.0
249.05795	0.5
252.08110	0.6
267.06628	7.6
295.06113	8.1
295.13171	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	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	0.9
59.01386	16.7
64.19379	0.7
66.28388	0.6
71.01383	55.7
73.02955	0.7
77.68130	0.8
85.02935	1.7
89.02444	12.5
101.02456	6.5
113.02483	5.0
115.00368	100.0
119.03494	4.2
150.96422	0.8
157.88792	0.7
179.05717	0.8
224.76495	0.9
295.06702	41.3
295.10318	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	295.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09073	1.1
59.01372	5.1
62.53909	1.1
69.16825	1.3
71.01379	51.3
86.51550	1.1
87.00866	1.7
89.02452	7.8
94.93362	1.2
100.84171	1.1
101.02460	1.2
115.00368	100.0
122.29751	1.4
126.98828	2.9
208.99142	1.4
247.94949	1.2
295.06757	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25836	0.4
51.44282	0.4
57.22627	0.4
65.72269	0.4
71.01383	8.5
72.99308	2.0
75.42499	0.4
81.21278	0.5
89.02449	1.1
101.35173	0.5
111.04502	1.9
115.00365	35.6
117.53040	0.4
121.02950	85.3
133.01428	100.0
135.04523	13.2
150.39937	0.5
155.03494	1.0
173.04518	1.0
179.03499	13.2
295.08258	2.8
306.26505	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	295.0822
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
57.03433	1.9
59.01372	2.3
60.99312	4.7
67.01898	11.9
69.03450	2.3
71.01379	8.8
80.39839	1.1
81.03495	1.4
83.05025	1.3
83.49243	1.0
87.00876	23.4
93.03456	100.0
99.00875	1.6
99.04507	1.6
103.30499	1.0
109.48707	1.0
111.04516	19.4
113.02461	1.5
115.00365	21.2
121.02955	57.6
129.01903	4.8
133.01431	56.0
135.04535	9.3
155.03473	4.2
173.04550	79.8
179.03513	4.7
180.74442	1.1
248.48277	1.1
295.08231	66.1
313.55457	1.1
314.93573	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23940	1.0
69.28323	1.1
70.34482	0.9
71.01378	1.7
71.05019	6.4
72.99292	2.0
85.06583	12.1
93.03457	16.9
97.06566	15.6
107.05033	7.0
109.03002	1.3
109.06587	5.5
109.66444	1.2
111.04514	5.6
111.08150	18.2
121.02962	25.0
125.02453	1.1
127.09238	1.0
131.07086	1.1
135.04543	1.8
137.02438	2.6
150.52919	1.1
155.03516	2.6
161.09769	1.5
173.04547	100.0
177.09189	1.4
189.12885	9.6
191.10835	1.3
205.12360	26.7
207.13889	27.3
233.11829	7.2
251.12877	95.5
295.08270	5.2
295.11713	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45523	0.6
59.01385	1.2
65.16248	0.8
71.06441	0.7
73.02950	1.4
74.45805	0.8
86.06946	0.7
96.95998	0.8
97.02971	1.1
98.00088	3.9
107.05006	1.3
111.04478	1.0
121.06590	1.2
123.04419	0.9
125.06078	5.6
133.06651	0.9
137.06084	2.0
149.06062	5.2
151.04042	3.4
156.80431	0.8
161.09723	1.4
165.05559	3.3
177.05579	100.0
184.07399	1.2
185.09679	0.9
189.12859	1.7
191.03568	1.0
191.10760	8.4
192.07948	83.7
203.10780	15.4
206.05928	1.2
207.10277	44.6
207.13760	7.3
221.11732	1.2
233.04375	1.3
233.11896	1.7
235.02635	0.8
251.05515	1.0
251.09157	6.4
251.12900	11.7
265.07239	6.3
295.04742	3.0
295.08231	21.4
295.11899	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14609	1.2
57.13289	1.2
59.01382	62.5
71.01388	26.0
71.05023	1.3
73.02952	1.6
85.02943	6.4
89.02449	27.1
98.17510	1.8
101.02448	24.7
113.02457	15.5
115.00378	3.2
115.03994	3.0
116.80502	1.3
119.03463	12.0
119.85629	1.5
140.64345	1.8
142.99876	1.6
161.04597	6.2
175.19376	1.3
235.08206	2.1
295.10345	100.0
313.41299	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	74.0
71.01379	34.9
71.04984	1.1
73.02956	2.4
75.00894	1.1
81.33108	1.1
81.66794	0.9
83.01376	1.2
85.02934	9.3
87.00883	1.6
89.02438	36.0
99.00890	2.0
101.02440	26.3
112.83559	1.0
113.02450	19.4
115.00371	8.4
115.03972	1.8
119.03493	17.0
133.05089	1.4
145.65442	1.1
161.04575	5.2
179.05537	1.7
189.05635	1.2
235.08284	1.4
295.10342	100.0
300.32269	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	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
50.48832	1.6
59.01382	3.8
60.99015	2.2
67.31349	1.8
71.05007	2.0
80.41895	1.9
81.03478	2.1
85.06600	1.9
95.05018	9.3
96.96040	2.4
97.06580	3.7
107.05013	3.4
111.04751	2.0
123.08173	10.7
135.04510	3.2
140.12900	2.1
140.81662	2.0
161.09764	2.5
163.07515	2.3
174.03188	2.3
175.04031	2.5
177.12840	18.2
189.12973	7.0
194.25044	2.0
199.00624	2.0
205.12360	8.6
207.02998	2.3
207.06702	3.8
207.13918	100.0
225.15010	10.0
251.05663	7.4
251.10223	3.3
251.12917	77.3
295.01181	2.4
295.04642	9.1
295.08493	10.5
295.11865	45.2
303.33273	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	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57076	0.4
51.65591	0.4
55.64905	0.4
56.51453	0.4
59.01384	100.0
68.83800	0.4
71.01392	0.7
85.02967	0.4
101.02439	1.9
113.26382	0.5
115.00338	3.1
116.11369	0.4
119.05128	0.4
134.90089	0.4
139.55328	0.4
152.40779	0.4
175.02527	1.8
181.05685	0.4
207.11320	0.4
235.11850	5.1
251.79578	0.5
278.18216	0.4
295.12961	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	295.155
Annotation	LL-Z1271beta
Peak:m/z	Relative Intensity
59.01367	0.6
60.04567	0.3
60.99312	6.5
73.54276	0.3
78.46346	0.4
149.60832	0.3
154.64647	0.4
181.56761	0.4
187.80775	0.4
189.16487	3.9
193.16000	5.0
205.15910	0.3
207.13913	5.7
221.15442	0.7
233.15480	35.2
251.12973	1.3
251.16478	4.5
295.15515	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	295.1551
Annotation	3beta-Hydroxy-5alpha-Hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
53.45750	0.2
53.66454	0.2
58.27848	0.2
59.01378	0.3
63.31301	0.3
68.52732	0.3
71.05003	0.5
72.39552	0.2
93.03472	0.4
95.95229	0.4
113.86866	0.3
135.85529	0.3
147.83086	0.4
175.04002	1.3
191.14453	0.4
193.16028	0.7
201.01926	0.5
207.13954	1.5
219.13907	2.5
221.15494	6.0
223.17050	5.7
233.15387	0.3
251.07101	0.4
251.12949	0.3
251.16528	1.9
253.05066	0.6
263.12891	100.0
295.06143	5.2
295.12506	0.5
295.15591	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.36668	3.6
65.95116	2.7
67.62573	2.6
81.25932	2.8
88.38013	3.4
124.23637	3.4
126.32587	3.9
171.10341	4.7
183.10265	5.3
183.13921	3.8
186.41396	3.3
196.77350	3.5
204.04262	4.1
277.21771	8.1
292.74716	3.3
295.22766	100.0
295.26151	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.79308	0.7
59.01376	1.6
59.25401	0.7
63.43164	0.6
76.35513	0.7
103.78144	0.8
105.55841	0.7
113.09691	1.3
123.49745	0.8
143.06438	0.9
149.12933	0.8
179.14433	1.0
181.12320	1.0
189.23163	0.8
195.13879	17.5
248.55702	0.9
252.77789	1.0
256.93488	0.8
277.21759	20.4
295.22794	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01380	1.8
113.09729	2.1
139.50473	1.1
195.13934	16.5
277.21713	17.1
287.35184	1.1
295.22787	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.63358	0.7
55.84820	0.8
57.03450	0.9
57.99835	0.7
59.01377	1.3
62.37422	0.7
89.21593	0.8
107.40249	1.0
125.09727	1.5
135.86250	0.8
135.87302	0.9
155.14441	3.6
171.10275	27.4
183.10223	3.1
237.76015	0.9
251.23956	1.6
277.21741	37.7
295.22800	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.91391	1.1
55.64782	0.9
62.77542	0.9
74.84184	1.3
75.09032	1.2
80.09337	1.0
80.90347	0.9
119.16579	1.0
125.09750	1.3
171.10268	38.3
205.58403	1.3
225.69028	1.2
226.28023	1.2
277.21738	54.4
295.22787	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	296.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56954	0.9
59.01381	1.6
60.99309	7.7
67.01897	10.2
69.03467	1.1
71.01374	4.6
81.03473	1.1
87.00879	20.1
93.03453	100.0
101.02480	1.4
111.04520	21.0
117.95232	1.2
122.02477	74.7
129.01949	6.5
143.03461	1.3
155.03464	2.0
162.33473	1.1
173.04539	94.2
193.07420	1.4
296.07761	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54529	0.5
51.49418	0.7
55.72408	0.6
68.45053	0.7
89.93068	0.7
92.35770	0.6
113.09693	0.8
159.36057	0.8
178.09520	0.7
195.13879	8.0
196.14232	14.3
233.27586	0.6
278.22083	20.7
281.08661	0.6
296.23132	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	296.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54529	0.5
51.49418	0.7
55.72408	0.6
68.45053	0.7
89.93068	0.7
92.35770	0.6
113.09693	0.8
159.36057	0.8
178.09520	0.7
195.13879	8.0
196.14232	14.3
233.27586	0.6
278.22083	20.7
281.08661	0.6
296.23132	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	297.0768
Annotation	3-Hydroxy-1-methoxy-3-methoxymethylanthraquinone
Peak:m/z	Relative Intensity
59.01390	3.8
65.00321	15.8
68.13710	2.3
75.16630	2.9
78.54854	2.6
89.00354	3.2
91.01894	6.3
97.02938	12.7
100.65594	2.3
105.29659	2.6
113.25344	2.9
118.27921	2.6
121.02951	5.4
133.50183	2.5
149.99539	6.4
163.00349	3.1
165.01915	80.2
210.06903	5.0
226.06203	3.5
238.06406	5.1
239.03505	17.5
252.04297	4.8
253.05070	61.3
254.05748	5.9
267.03030	11.9
267.06607	42.5
268.07483	31.2
269.08188	70.8
281.04395	22.6
282.05371	74.2
282.08438	6.1
297.04794	4.1
297.07651	100.0
297.11304	31.4
297.14749	8.7
297.24338	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	297.098
Annotation	Picein
Peak:m/z	Relative Intensity
59.01387	3.1
71.01383	2.9
73.02943	0.4
85.02958	1.0
87.00890	1.9
89.02460	2.5
93.03455	0.5
99.00805	0.3
101.02451	2.1
106.04247	0.5
107.05033	4.5
113.02441	1.5
117.03468	0.3
119.03530	0.8
121.02942	0.4
134.03746	39.5
135.04532	100.0
147.04471	0.3
149.06000	0.3
158.33484	0.2
161.04593	1.1
177.05550	0.5
184.18755	0.2
207.03064	0.4
297.11990	3.2
297.24707	0.4
297.27872	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	297.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24796	0.4
59.01389	1.8
63.60902	0.4
75.04485	0.4
82.23342	0.5
87.91216	0.6
92.19401	1.2
93.20531	0.5
161.98657	0.6
204.17924	0.5
211.04204	1.8
237.09123	0.7
239.03543	1.0
282.08981	100.0
297.11337	62.5
297.14243	1.3
297.24326	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	297.1131
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
59.01373	0.9
65.72829	0.7
85.44077	0.6
92.20081	1.8
95.35999	0.7
148.04694	0.8
148.91136	0.7
184.06622	0.9
203.07079	1.1
222.89281	0.7
253.08704	1.1
254.09398	0.9
267.06607	14.6
267.09778	1.7
281.08179	1.5
281.11780	0.8
282.08981	99.5
297.11301	100.0
297.14920	28.7
297.24387	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	297.1133
Annotation	Nortopsentin D
Peak:m/z	Relative Intensity
53.65581	1.1
58.02020	1.1
59.01389	1.4
65.42153	1.1
68.38626	1.1
69.05719	1.4
110.55960	1.4
135.43420	1.1
145.32530	1.2
157.48460	1.2
211.04044	2.1
212.04727	1.6
239.03479	2.0
258.58600	1.2
258.87088	1.4
269.04837	1.4
282.08969	100.0
297.04123	2.4
297.11365	70.7
297.14536	2.8
297.24271	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	297.1132
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
51.88768	0.4
54.92961	0.4
59.01389	0.8
59.73846	0.4
66.08232	0.5
93.34643	0.5
93.63959	0.6
95.05027	0.6
103.85781	0.5
106.04179	0.6
109.02876	0.7
119.05116	0.6
145.02953	8.9
146.03735	1.2
151.07643	18.6
159.04521	2.4
169.58278	0.5
175.07582	0.6
190.60226	0.6
220.09044	0.7
221.09785	0.8
223.07610	2.7
227.10756	2.5
234.06857	3.3
238.06241	2.5
248.08432	2.5
249.09171	3.4
251.06938	0.7
251.10806	4.3
252.07953	2.8
267.06689	3.7
269.11853	2.3
277.23038	0.6
278.09369	0.6
279.10239	13.9
280.11133	1.3
282.09088	4.1
282.11856	0.6
295.09769	1.2
295.69949	0.6
296.10562	1.3
297.04163	2.1
297.11331	100.0
297.24298	1.1
316.87979	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01881	1.2
57.03451	1.2
59.01384	96.1
71.00995	2.5
71.01379	54.2
71.98395	1.5
73.02935	6.3
83.01382	2.0
85.02933	14.8
87.00854	2.2
89.02442	81.9
93.55367	1.1
95.01343	1.7
101.02438	52.9
103.04034	1.3
113.02442	26.0
117.05534	2.5
119.03488	25.6
131.03555	1.9
135.06654	33.5
143.03511	5.3
161.04544	11.7
179.05624	15.7
237.09703	1.4
297.08475	3.9
297.11902	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	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37189	1.5
51.76935	1.5
59.01383	94.4
59.01680	3.4
71.01379	57.7
72.99297	2.9
73.02946	10.0
78.16791	1.7
83.01378	3.2
85.02934	15.2
87.00846	2.4
89.02440	83.2
91.69166	1.7
95.01381	3.1
101.02439	54.3
103.03999	2.1
113.02437	28.9
113.36247	1.6
119.03487	32.1
131.03482	3.2
135.06641	35.3
143.03448	6.4
161.04527	15.5
168.60062	1.6
170.79234	1.8
179.05630	16.0
197.91133	1.7
238.22906	1.6
264.87424	1.9
297.08316	6.0
297.11887	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	297.1345
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
59.01372	1.4
69.03455	2.0
72.99294	9.9
75.00874	100.0
97.06558	1.4
109.06608	1.4
123.04489	2.0
147.04539	1.7
165.09219	1.4
179.10822	3.0
206.09402	2.9
207.13898	13.0
209.15477	5.7
221.11942	12.0
235.13356	2.3
253.14433	32.9
280.86823	1.3
297.10040	6.5
297.13437	96.0
297.24316	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	297.1344
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
52.12035	2.1
73.02949	3.5
83.05018	3.5
91.72378	3.0
95.05015	15.1
96.02185	2.8
97.02942	3.5
97.06563	6.2
111.08140	12.0
116.25220	3.0
121.06580	15.3
122.03723	5.4
125.06072	3.1
137.06076	52.5
137.09697	3.6
139.07648	100.0
155.07059	3.2
158.02737	2.8
161.09784	3.4
169.10258	5.0
175.11263	5.1
185.09680	2.6
187.11256	31.6
193.12358	4.2
203.10796	5.4
205.12355	14.7
235.13293	18.0
240.10561	2.5
253.14453	96.0
297.13452	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
53.35978	1.0
56.84445	1.1
59.10608	1.1
69.03448	4.7
71.05026	1.6
76.10127	1.1
77.25829	1.0
83.05025	2.7
84.73879	1.0
86.29825	1.2
96.05030	1.1
97.06573	2.5
109.06631	1.3
120.30625	1.3
137.06085	1.3
139.07695	1.5
151.11298	1.5
153.12825	1.3
190.94597	1.1
207.13928	47.7
209.15482	16.2
217.52968	1.2
225.14877	1.5
235.13463	6.0
251.13132	1.8
253.14461	100.0
256.81686	1.1
297.13480	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
69.03459	3.0
73.90819	0.9
74.14021	0.8
74.21661	0.7
78.36352	0.7
81.03458	1.0
83.05020	1.1
93.79819	1.0
97.02914	1.6
97.06550	3.4
99.04510	1.4
107.05005	0.8
108.33727	0.7
108.70942	0.8
109.06580	4.3
110.88593	0.9
111.00705	0.9
119.08655	3.5
123.08172	3.2
135.04552	1.0
135.08162	1.5
137.06039	6.1
149.09714	1.0
151.11267	5.4
165.09215	1.1
175.11288	1.3
180.95876	1.3
187.11290	1.6
189.09210	3.6
203.10834	1.0
205.12373	16.2
207.13910	40.9
209.15483	18.9
217.12294	3.7
221.11865	3.3
224.94853	0.9
225.14949	2.0
227.16447	2.0
235.13416	1.5
253.14456	100.0
269.04520	4.6
297.03964	9.4
297.13443	73.8
297.24374	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	297.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28647	1.3
53.88375	1.3
56.35730	1.4
56.73937	1.2
58.27542	1.4
58.30643	1.4
60.55461	1.4
61.35190	1.6
92.20059	1.9
122.12373	1.4
127.88522	1.5
137.25331	1.5
192.09480	2.8
221.06035	3.6
224.19547	1.6
235.07538	6.7
235.14856	16.4
235.17044	8.9
236.08420	37.4
253.15930	6.6
254.06895	2.7
254.09460	61.7
264.11526	9.5
275.63638	1.6
279.14059	13.8
297.14914	100.0
297.24280	7.1
309.88431	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	297.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95264	0.7
60.53675	0.9
67.37870	0.7
93.16903	0.9
120.15512	0.9
140.70055	0.9
235.11320	1.5
236.12070	54.1
237.09187	9.0
239.07176	4.0
254.09479	1.0
263.10791	1.8
264.08084	4.7
264.11548	69.8
279.10797	2.3
279.13895	60.3
279.16953	2.0
282.01639	6.4
282.12411	2.0
297.03958	3.8
297.11743	4.2
297.14948	100.0
297.24371	3.8
311.97473	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	297.1497
Annotation	Doisynoestrol
Peak:m/z	Relative Intensity
50.89254	0.5
55.71358	0.5
56.64066	0.7
58.66029	0.6
59.01384	1.0
61.90039	0.6
104.25255	0.7
172.39186	0.8
192.09430	3.1
219.11858	1.2
220.12564	1.5
221.06087	2.6
235.07631	6.9
235.14926	18.1
236.08432	38.1
249.09192	1.4
251.14249	1.0
253.15967	6.8
254.09486	58.9
264.11569	10.8
270.87204	0.7
279.13879	13.2
282.12610	0.8
297.14972	100.0
297.24146	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	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52036	0.7
59.01383	3.1
61.98824	1.1
63.95735	0.6
69.03451	0.9
71.05013	1.0
72.89803	0.6
77.68061	0.7
83.05006	0.8
89.02397	0.8
91.03976	0.9
92.19355	1.1
122.18886	0.7
147.04518	1.5
149.09731	1.1
155.10858	0.8
167.10808	6.2
179.10735	3.0
179.14380	7.0
191.03564	5.3
195.13875	15.5
205.12373	12.8
218.14790	0.7
223.13405	100.0
235.17073	0.9
253.17990	0.8
259.59848	0.7
297.07602	4.5
297.11658	3.0
297.17236	5.1
297.24341	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	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47944	0.5
56.07945	0.5
57.03456	1.0
59.01382	4.8
59.37942	0.7
69.03436	0.9
71.01377	1.2
71.05034	0.6
78.60462	0.6
80.15685	0.7
85.06603	0.8
89.02438	0.8
92.20090	1.6
109.06631	0.9
167.10791	6.8
179.10777	2.7
179.14398	5.7
195.13872	18.1
205.12337	13.2
223.13391	100.0
297.11594	2.1
297.17114	3.8
297.20905	1.0
297.24353	3.8
305.14066	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	297.186
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12891	0.4
73.25082	0.4
81.09931	0.4
85.06588	59.1
96.14954	0.4
193.10062	0.4
199.11288	18.6
211.11292	14.0
212.12073	18.3
227.10622	0.5
274.41934	0.4
279.17642	1.8
293.67575	0.5
297.18607	100.0
297.24158	3.1
298.24252	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	297.186
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
57.35520	0.6
58.69877	0.6
63.60528	0.7
67.38288	0.6
70.07442	0.6
71.92593	0.6
79.12335	0.7
100.93311	0.7
167.05670	0.7
204.79976	0.7
248.15350	0.8
265.81137	0.7
281.15427	1.1
282.16260	52.8
297.11395	3.6
297.15359	6.5
297.18579	100.0
297.24295	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	297.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07280	0.2
60.39383	0.2
65.45078	0.3
66.75826	0.2
67.27383	0.2
79.84179	0.3
83.78735	0.3
103.04346	0.3
187.71188	0.4
199.11296	17.6
201.12877	2.6
217.48836	0.3
219.55420	0.3
230.90480	0.3
267.13681	0.5
269.84308	0.3
282.16360	0.5
297.18613	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	297.2435
Annotation	2-Oxooctadecanoic acid
Peak:m/z	Relative Intensity
54.17138	1.0
55.00077	1.0
57.93081	1.0
60.45631	1.0
62.05040	1.1
85.84341	1.4
86.62548	1.1
101.96577	1.2
157.45268	1.3
162.95013	1.5
183.01173	1.5
225.22244	3.0
251.23769	14.9
253.25375	84.3
297.15335	6.6
297.24368	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.13029	2.3
57.45364	2.2
67.55136	2.5
70.37963	2.6
92.19417	3.6
140.67636	2.7
162.70485	3.1
183.01227	5.0
297.12100	3.8
297.15216	31.5
297.18402	5.7
297.24374	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.89046	0.5
51.86113	0.5
52.98629	0.6
58.15335	0.5
61.16032	0.6
69.32361	0.6
128.87451	0.6
157.08696	14.2
169.12381	1.3
183.01172	0.8
279.23300	22.1
295.22815	1.5
297.15421	5.8
297.24365	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.79258	0.4
56.87664	0.4
59.01371	1.2
68.23041	0.6
75.98378	0.5
114.81617	0.6
139.05298	0.5
155.10788	15.5
171.10258	1.3
208.98756	0.5
225.00200	0.5
243.87163	0.5
251.23912	0.5
251.62479	0.5
261.22241	0.9
279.23312	17.8
295.22699	0.7
297.15302	2.8
297.24362	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.12781	0.4
59.01386	0.7
61.65478	0.5
89.56696	0.5
112.02299	0.5
125.09738	0.8
127.11261	0.6
155.10767	2.5
157.82584	0.5
171.10263	3.2
186.32515	0.5
191.09222	0.6
235.37820	0.5
255.71204	0.5
279.23322	8.1
297.15237	2.9
297.24362	100.0
310.55731	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	298.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03484	7.2
59.51684	3.2
70.98529	3.2
90.76351	2.8
114.04990	3.1
122.45324	3.3
139.10324	5.3
139.11295	100.0
162.12979	5.1
180.13936	31.8
254.14018	43.5
298.12833	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	299.0561
Annotation	Diosmetin
Peak:m/z	Relative Intensity
56.57856	0.4
59.82779	0.5
62.16803	0.4
84.02516	0.4
94.68761	0.5
124.75669	0.6
131.12456	0.5
140.43207	0.5
151.00526	0.6
188.56644	0.5
241.04996	0.5
256.03763	14.5
256.11093	2.9
266.09561	0.8
271.13495	0.8
284.03281	100.0
299.02133	2.9
299.05612	55.3
299.12558	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	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32148	0.4
53.99960	0.4
54.32950	0.5
59.01394	0.6
61.57753	0.4
65.12964	0.4
73.02979	0.4
77.61023	0.4
89.77157	0.5
90.14433	0.4
93.03455	76.1
93.12978	0.5
96.10287	0.4
103.77785	0.5
133.07993	0.4
137.02449	100.0
139.94888	0.6
279.64386	0.4
289.90802	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	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.71457	0.2
53.62894	0.3
56.97282	0.2
59.01383	0.4
66.77320	0.3
71.01395	0.5
85.02967	0.6
89.04324	0.3
93.03452	74.3
96.95969	0.3
101.02443	0.3
101.91447	0.3
105.86964	0.3
123.04507	0.3
126.71962	0.2
137.02444	100.0
141.20161	0.3
177.89439	0.3
187.01035	0.3
206.81577	0.3
260.71692	0.3
299.07599	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	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.93510	1.2
58.19842	1.3
59.01385	44.7
63.71398	1.2
69.46253	1.4
71.01375	21.5
85.02952	5.2
89.02438	36.7
93.03445	19.0
95.01369	2.7
101.02438	17.9
102.37331	1.3
113.02447	15.8
119.03471	7.7
135.04526	1.8
136.01662	7.9
137.02443	100.0
151.04037	10.9
153.19640	1.2
162.67938	1.5
179.03494	57.1
209.04565	7.2
231.99721	1.4
239.05626	28.8
258.48730	1.2
299.07736	83.4
315.79315	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	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
59.01382	26.4
64.40597	0.9
71.01386	12.4
73.02934	0.8
77.46445	1.2
83.01370	1.2
85.02938	1.8
87.33089	0.9
89.02446	12.1
92.02695	4.1
93.03459	27.2
95.01362	1.1
101.02440	8.5
103.42941	1.2
107.05004	1.2
113.02444	5.5
119.03497	4.7
135.04576	1.3
136.01653	16.7
137.02448	100.0
151.04018	15.0
170.74165	1.0
179.03500	98.2
209.04581	17.0
239.05615	67.4
241.59315	1.1
244.03809	1.0
299.07874	1.8
300.84329	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	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
56.52203	0.6
59.01384	15.6
60.01430	0.6
69.96666	0.6
71.01383	6.3
76.20876	0.5
89.02430	7.5
93.03452	11.4
99.00885	0.7
101.02438	5.0
107.05052	1.1
113.02425	3.5
119.03491	1.4
119.04948	0.7
121.02925	2.6
135.04501	0.8
136.01665	10.6
137.02449	100.0
139.03993	1.2
149.02470	0.7
151.04030	7.9
171.38095	0.6
179.03500	52.8
209.04546	9.6
239.05615	35.2
299.07834	8.9
299.15164	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	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
51.99420	1.0
59.01385	100.0
59.21513	1.1
71.01382	33.9
71.06772	1.2
83.01383	1.5
85.02931	2.4
89.02444	48.9
92.92338	1.2
101.02442	24.4
105.05518	1.4
113.02470	13.9
119.03490	18.7
119.05003	8.4
137.06035	1.5
161.04465	2.0
179.05583	2.5
261.46768	1.3
299.11386	17.2
299.14929	4.2
299.20035	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	299.129
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
54.15919	0.8
55.83175	0.8
74.44863	0.9
111.02684	1.3
111.07423	1.0
125.09714	5.6
141.19872	0.9
156.05904	1.3
170.07390	18.3
172.43248	0.9
173.06064	1.1
173.53764	1.0
185.06100	5.5
185.09731	100.0
186.06859	5.5
197.06062	2.1
198.06868	2.2
237.18703	1.6
239.10748	2.4
240.11606	11.9
255.13914	38.3
284.10379	1.2
299.02069	1.4
299.12946	36.8
299.16183	2.5
299.18784	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	299.1501
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
50.44476	0.5
57.03452	5.7
65.12946	0.8
71.01378	0.9
71.05028	10.5
76.88615	0.6
87.58121	0.7
119.51955	0.7
123.08186	2.7
137.09758	3.6
139.07635	0.7
139.11308	12.7
151.07693	0.8
151.11267	0.9
153.12833	5.8
167.10770	6.8
179.10684	2.3
195.10388	1.1
197.11890	3.0
199.64076	0.7
214.03981	0.7
237.14989	5.8
253.14458	4.1
255.16063	7.8
268.28497	0.9
269.51498	0.7
281.13974	3.6
299.15033	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	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
52.57961	0.5
57.03442	2.6
60.50013	0.5
62.64927	0.5
62.83923	0.4
63.45887	0.5
63.53993	0.5
63.89822	0.5
65.38963	0.7
70.79399	0.6
71.05000	0.7
82.36732	0.6
83.05009	2.3
97.06599	8.3
111.08154	30.2
114.74879	0.7
123.08142	3.0
125.09717	71.7
169.08678	1.1
169.12251	0.8
170.07379	1.0
172.94202	0.6
183.13980	1.3
185.09706	3.8
237.18578	22.9
249.70052	0.7
255.13925	1.4
255.19769	1.0
263.16476	0.9
281.17618	19.9
299.12994	3.1
299.18643	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	299.2017
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
54.05424	0.2
56.67212	0.2
57.82833	0.3
59.01395	0.3
60.54681	0.2
60.84517	0.3
87.43250	0.3
91.22280	0.3
180.33633	0.3
268.54120	0.3
293.13889	0.3
296.33411	0.3
299.20181	100.0
302.29282	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	299.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
69.81648	0.4
82.52615	0.4
87.59151	0.4
88.97831	0.4
93.76414	0.4
164.81444	0.4
202.89098	0.4
215.59747	0.5
218.21352	0.4
227.10713	1.5
299.02014	0.6
299.20157	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	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
51.78123	0.2
53.15196	0.2
57.17825	0.3
67.16360	0.2
69.96104	0.3
85.06576	0.5
88.90693	0.3
95.96320	0.3
174.99318	0.3
197.09825	0.3
198.10489	0.5
199.11282	0.6
211.11536	0.3
212.12079	13.8
217.00337	0.3
227.10774	0.5
227.14435	7.4
281.19064	0.6
297.18671	1.6
299.20175	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	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
51.65946	0.2
57.21642	0.2
59.01373	1.3
72.30687	0.3
92.92130	0.3
174.99232	0.5
217.00307	1.6
292.78140	0.3
299.20178	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	299.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76420	0.3
135.91826	0.3
139.94829	0.3
299.20175	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	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35337	0.4
59.01385	0.6
81.85234	0.4
105.26289	0.3
113.27100	0.4
125.09576	0.4
159.64745	0.5
171.37683	0.4
183.51665	0.4
185.09445	0.4
196.56441	0.5
217.00278	0.8
221.82323	0.4
237.22240	100.0
253.25423	1.9
255.23248	3.5
281.21240	37.4
299.22305	80.0
299.25946	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
101.86459	0.3
104.59137	0.4
104.82597	0.4
177.69389	0.4
219.19907	0.5
243.06316	0.5
249.71225	0.4
253.25403	6.5
281.24890	0.7
297.24213	0.7
299.25928	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	300.049
Annotation	N-Acetyl-alpha-D-glucosamine 1-phosphate
Peak:m/z	Relative Intensity
55.69900	0.4
66.75782	0.4
67.59263	0.4
78.58765	0.4
78.95908	100.0
96.15307	0.5
96.96960	24.4
101.24714	0.5
127.13175	0.5
138.98027	1.0
164.15388	0.4
178.06001	0.5
199.00148	2.8
217.69379	0.5
222.02249	0.6
282.03656	0.5
290.65051	0.4
291.01187	0.5
300.04892	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0879
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
56.62219	0.7
63.64754	0.8
65.35506	0.9
72.47739	0.9
72.99309	71.2
75.00856	1.1
77.05397	0.8
84.48794	0.9
92.20078	2.2
93.03455	10.4
102.97445	0.9
106.29025	0.8
119.05038	10.1
121.02959	16.5
135.04399	1.1
136.04056	18.7
137.02452	23.7
137.56346	0.8
208.07701	4.6
214.73074	0.9
224.07222	1.0
226.08734	24.6
231.78802	1.0
236.07228	1.7
238.08830	1.0
254.08232	19.5
282.07635	4.8
300.08792	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31701	0.4
51.64378	0.4
57.71219	0.4
59.01376	0.5
70.52092	0.4
96.90582	0.4
111.74593	0.5
123.03255	4.1
128.32155	0.5
137.02458	0.5
138.05611	100.0
150.75336	0.5
165.04413	0.5
180.06668	2.5
300.10904	9.1
320.89868	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06497	0.4
59.01381	5.7
60.01737	0.5
63.14360	0.3
68.01408	1.7
71.01381	2.2
72.99299	0.5
74.55016	0.4
89.02436	2.5
101.02468	0.4
108.02164	0.5
113.02429	0.7
123.03260	2.8
124.07678	0.5
136.07674	0.6
137.04788	0.7
138.02043	4.6
138.05611	100.0
142.84645	0.5
152.07188	1.6
167.05887	3.6
168.06696	0.8
170.36627	0.4
180.06639	7.3
186.21617	0.5
300.10925	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	300.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68827	1.5
119.74332	1.7
126.99188	1.7
159.25883	1.6
223.20628	2.7
224.20987	29.0
254.25691	3.2
268.20013	28.6
271.06787	1.8
300.19446	11.1
300.22644	21.0
300.26236	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	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98608	0.4
59.01384	47.3
75.18303	0.5
91.93824	0.5
108.01012	0.5
114.98915	0.7
115.02501	8.7
117.00451	6.4
126.38279	0.5
139.23059	0.5
156.99944	0.9
157.03571	3.1
159.01488	100.0
191.99887	0.5
201.02565	21.9
211.42995	0.5
217.00566	0.6
219.16905	0.5
230.57616	0.5
257.03879	0.5
259.01541	4.1
284.81995	0.6
301.02679	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72921	0.6
60.19682	0.8
62.33130	0.6
66.44180	0.6
67.09633	0.7
93.03434	1.7
106.95538	0.8
109.02984	1.1
112.72409	0.7
139.04030	1.1
151.00333	1.8
152.01117	1.4
163.00334	0.8
172.31929	0.8
185.06052	2.7
201.05566	3.1
214.02702	1.1
229.01472	8.7
229.05096	6.3
230.02281	1.2
239.03467	1.0
243.02892	0.8
244.03687	1.1
245.04579	8.6
255.02974	4.3
256.03757	1.0
257.00879	1.7
257.04556	11.2
258.01703	51.7
271.02527	1.1
272.03220	1.6
273.04065	28.4
283.02194	0.8
286.01202	1.6
301.00156	5.6
301.03558	100.0
301.06894	3.5
301.16617	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90956	0.8
55.85746	0.8
60.00677	0.8
93.03438	4.7
103.41048	1.1
109.02937	3.6
121.58769	1.1
135.04526	3.8
136.43446	1.0
137.02448	4.5
141.07111	0.9
141.39516	1.3
151.00369	4.4
151.03918	1.2
153.01933	1.3
156.16301	1.0
156.20624	0.9
157.06717	0.9
163.04021	1.6
176.01077	1.0
185.02296	1.4
185.06079	1.3
191.03496	1.3
201.05563	4.6
205.05035	1.4
206.99347	1.5
213.05602	4.8
214.02754	3.4
227.03345	1.9
229.01436	10.2
229.04994	7.0
230.02135	1.2
245.04497	6.9
255.02937	4.7
256.03778	1.3
257.00906	2.2
257.04556	18.9
258.01721	55.8
273.04041	26.3
283.02591	1.1
301.00183	6.1
301.03558	100.0
301.06967	5.7
301.16702	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	301.0354
Annotation	HIERACIN
Peak:m/z	Relative Intensity
69.16913	0.4
82.90007	0.4
107.01407	1.5
125.02409	0.5
149.02426	10.8
149.03563	0.7
151.00365	5.6
191.03517	2.7
197.44336	0.4
211.04062	0.4
215.03499	2.4
216.20595	0.4
217.01315	0.4
223.16174	0.3
227.03439	0.5
233.04546	1.5
239.03497	2.3
255.03015	2.0
257.04556	0.9
259.02512	0.4
283.02640	0.5
301.03552	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	301.0354
Annotation	Delphinidin
Peak:m/z	Relative Intensity
56.03332	0.6
63.02400	0.9
63.89206	0.8
65.00330	4.9
67.57278	0.6
70.91300	0.6
72.43487	0.7
83.01382	4.4
107.01395	18.0
121.02943	18.3
122.88750	0.6
138.27634	0.7
139.04013	0.8
147.04480	0.7
149.02425	3.0
149.93335	0.9
151.00369	89.8
164.01131	1.2
169.01434	1.2
178.99861	25.4
193.01494	1.4
202.70483	0.7
227.03610	0.7
229.05090	1.4
245.04515	1.2
273.04007	3.6
301.03543	100.0
323.32208	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72921	0.6
60.19682	0.8
62.33130	0.6
66.44180	0.6
67.09633	0.7
93.03434	1.7
106.95538	0.8
109.02984	1.1
112.72409	0.7
139.04030	1.1
151.00333	1.8
152.01117	1.4
163.00334	0.8
172.31929	0.8
185.06052	2.7
201.05566	3.1
214.02702	1.1
229.01472	8.7
229.05096	6.3
230.02281	1.2
239.03467	1.0
243.02892	0.8
244.03687	1.1
245.04579	8.6
255.02974	4.3
256.03757	1.0
257.00879	1.7
257.04556	11.2
258.01703	51.7
271.02527	1.1
272.03220	1.6
273.04065	28.4
283.02194	0.8
286.01202	1.6
301.00156	5.6
301.03558	100.0
301.06894	3.5
301.16617	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	301.0718
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
56.00418	1.0
63.23452	1.0
65.00320	2.6
80.06608	1.0
83.01397	2.4
93.03469	1.4
95.01414	2.5
96.22465	1.0
97.02952	4.7
97.76884	1.1
102.27539	1.0
103.70003	1.0
104.33641	0.9
107.01388	5.5
109.02975	1.4
113.02428	1.9
117.70667	1.1
119.05014	5.4
121.02959	4.2
137.02425	4.4
143.05037	6.7
145.02951	12.0
151.00366	27.4
155.03526	5.6
157.06543	1.5
158.24994	1.1
161.06055	5.0
163.00340	8.2
177.01929	1.5
178.99800	1.7
185.06097	19.7
197.06059	2.0
199.07684	5.6
201.05708	1.4
211.07704	2.4
213.05649	1.3
219.96428	1.0
229.05057	71.5
239.07181	2.1
241.05087	32.1
243.06395	1.4
255.06607	14.7
272.02655	1.4
283.06122	10.1
301.03455	19.6
301.07169	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	301.0719
Annotation	Alysifolinone
Peak:m/z	Relative Intensity
50.53638	1.0
58.63368	1.1
65.00320	1.2
65.69483	1.1
74.59379	1.4
93.65372	1.1
98.69060	1.2
107.01363	4.7
121.02929	6.5
149.02464	2.4
151.00385	29.8
161.02486	1.3
163.03914	1.1
178.99864	8.9
196.18320	1.2
206.05893	8.9
215.03497	2.6
221.08266	4.6
227.03496	2.1
239.03473	4.9
239.07231	2.7
240.04193	6.6
240.07973	1.9
243.03035	9.2
256.03699	2.4
257.04572	15.2
258.05176	1.6
268.03802	11.4
269.04517	20.7
271.02530	12.2
273.03992	2.7
283.06177	2.7
283.13425	1.8
285.01126	2.4
285.04056	45.2
286.02060	1.8
286.04831	67.6
300.99951	5.1
301.03555	59.6
301.07172	100.0
301.14471	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	301.0719
Annotation	Folerogenin
Peak:m/z	Relative Intensity
50.42974	0.6
51.30510	0.5
59.03032	0.5
60.67561	0.6
65.00329	1.0
70.06647	0.6
74.19839	0.6
83.01384	1.1
93.03455	1.4
97.02939	0.9
97.06567	0.8
124.01676	4.5
133.02933	2.4
138.03230	0.6
138.12155	0.7
139.04010	19.4
148.26404	0.6
151.00366	2.9
152.01147	16.1
164.01172	4.2
165.01921	17.0
166.02724	9.9
167.03513	2.9
169.22267	0.6
175.04012	3.8
178.98409	1.1
178.99867	18.9
179.03452	2.4
183.64365	0.6
193.01469	1.1
194.02269	0.6
202.06358	3.8
203.07115	2.4
213.05682	0.6
214.06264	0.6
217.08685	1.4
230.09454	1.3
240.04245	5.3
242.05820	1.0
242.09531	5.0
255.06650	3.7
257.11807	3.7
258.01736	0.9
258.05298	8.9
258.08859	0.8
265.14423	0.7
273.07700	100.0
283.02591	1.3
286.01285	1.4
286.08441	3.3
301.03519	4.6
301.07217	7.0
301.10797	6.8
301.14481	5.5
301.18085	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	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.27151	0.3
53.87529	0.3
54.96060	0.3
59.01401	0.5
63.02422	0.4
65.51855	0.3
65.96979	0.3
71.01375	2.4
73.02954	1.4
84.85733	0.3
85.02963	0.5
91.86553	0.3
96.02190	0.4
101.02435	0.6
113.02480	0.8
124.01653	32.7
138.43214	0.4
139.04012	100.0
148.52516	0.3
161.04582	2.7
162.67175	0.4
163.03897	0.3
218.02902	0.3
269.69296	0.4
301.03650	0.7
308.10626	0.4
317.71143	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	301.1082
Annotation	2,6-Dihydroxy-1,5,7-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.36118	0.7
52.37531	0.7
58.26422	0.8
58.89043	0.9
74.61042	0.8
103.00304	0.8
149.02460	4.1
150.03197	6.6
152.28261	1.0
165.05530	4.8
184.29478	0.7
212.04881	2.0
213.05554	1.1
215.07182	1.5
224.04800	0.9
225.05553	14.2
227.07159	3.9
240.04301	22.7
240.07933	7.2
241.05112	14.1
253.05081	19.3
255.06639	100.0
256.07379	8.7
268.07443	7.9
270.08972	48.4
271.06165	8.7
271.09747	21.0
283.09665	1.6
286.04953	0.9
286.08545	5.3
301.03802	1.2
301.07367	3.3
301.10800	23.2
301.18127	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	301.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99983	1.3
59.01382	2.9
65.49078	1.6
69.87133	1.3
71.25347	1.4
97.17049	1.8
99.55254	1.4
106.06631	2.7
122.06080	2.5
124.07677	27.9
132.04553	51.0
133.05339	89.1
133.06354	3.1
134.06105	8.0
137.09724	13.5
150.05507	1.8
151.00398	6.3
155.10777	13.9
165.04303	17.4
169.12360	1.8
181.08759	2.1
199.09802	12.7
214.12398	9.5
214.31186	1.6
215.11917	14.1
229.09819	6.5
241.10190	7.2
257.12943	99.6
283.10965	6.4
301.03510	12.1
301.11942	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	301.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33994	0.5
52.47900	0.6
57.03449	0.7
58.00596	1.0
59.01159	0.8
59.01391	16.6
61.45452	0.6
62.60355	0.6
62.60712	0.7
63.02402	1.7
65.00333	3.2
70.12908	0.6
71.01378	1.1
73.02943	5.6
82.63171	0.6
83.01392	3.9
85.02953	0.9
86.41367	0.7
87.04517	10.1
89.52206	0.7
93.03429	0.9
101.02421	1.1
107.01384	11.1
109.02915	1.3
117.74093	0.7
121.02926	13.2
125.02420	0.8
133.06543	0.7
135.08136	1.7
137.09726	54.2
139.04028	0.9
139.11273	3.3
143.07188	1.0
149.02408	3.0
151.00368	62.7
151.11189	0.9
155.10782	100.0
163.07675	0.7
164.01108	0.8
169.01466	0.8
169.12309	8.2
178.99858	20.0
179.10767	1.1
181.08727	10.8
185.11847	3.4
193.01421	1.1
196.05266	1.0
199.09781	53.2
211.03902	1.0
211.07664	1.4
213.11337	4.3
223.09732	1.7
224.04724	3.1
227.10797	19.7
229.05048	0.9
239.03421	1.4
240.04276	23.5
241.05113	19.8
241.10814	38.9
242.05745	3.4
245.04605	1.2
252.04272	3.8
255.02885	0.8
257.08105	6.8
263.18063	0.8
268.03751	15.7
273.04047	4.1
283.06116	29.7
283.19012	0.8
301.03510	88.4
301.07111	27.9
301.20255	14.4
301.23572	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	301.1597
Annotation	alpha-hydroxy Farnesyl Phosphonic Acid
Peak:m/z	Relative Intensity
76.55294	0.5
89.78818	0.6
139.63727	0.9
217.07141	1.1
243.77280	0.6
257.19086	2.6
257.30573	0.6
269.52322	0.7
286.13449	3.1
301.15857	100.0
315.58145	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.79139	0.2
51.12218	0.3
64.45848	0.3
70.65841	0.3
70.70791	0.3
76.29439	0.3
77.14334	0.3
79.23382	0.3
86.10458	0.3
100.74440	0.4
106.50289	0.3
114.24409	0.3
119.12672	0.3
120.65662	0.3
134.99380	1.2
143.05344	1.4
159.08427	0.4
161.06346	2.8
189.06017	0.3
195.56935	0.3
203.05843	0.4
217.07204	78.9
228.54912	0.3
285.10886	0.6
285.13470	37.6
301.16608	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	301.181
Annotation	16alpha-Hydroxyandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
51.07138	0.2
67.95286	0.2
70.25770	0.3
83.10100	0.2
86.00681	0.3
92.20058	0.6
97.26229	0.3
113.29843	0.3
117.89880	0.3
121.02972	0.4
151.00375	2.0
178.99826	0.5
187.07626	0.5
203.10818	0.7
215.10770	2.3
227.58148	0.3
243.10437	2.1
244.03693	0.3
258.12570	5.7
271.13345	1.1
285.14969	3.6
286.15790	4.7
300.17456	0.4
301.03690	4.2
301.18109	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.62957	0.4
57.03458	1.3
74.04305	0.5
76.00977	0.5
78.26751	0.5
113.09701	0.8
115.81912	0.5
151.00346	2.4
211.20708	1.2
221.19104	49.7
237.18703	1.0
239.20190	8.7
256.74457	0.6
257.21164	2.3
265.18100	32.7
283.19156	28.9
291.42645	0.6
301.03647	4.7
301.20227	100.0
310.08801	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
51.55120	0.5
62.68368	0.5
71.29491	0.5
97.06587	0.5
99.08173	5.8
107.01362	0.8
121.02959	2.3
125.09724	2.6
127.11293	3.0
127.57642	0.6
127.72142	0.5
129.09213	2.4
139.04002	0.9
141.09152	0.7
143.10759	0.9
144.03323	0.6
151.00385	7.3
155.10791	0.9
171.10277	20.0
178.99820	2.8
214.65227	0.5
228.04018	0.6
238.52501	0.6
271.19089	0.7
283.19214	5.5
297.09921	0.6
299.18741	4.5
301.03586	9.5
301.06839	1.1
301.10834	3.7
301.20215	100.0
310.95874	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	301.2173
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
59.01386	11.5
81.29215	1.7
81.85433	1.4
82.94174	1.4
83.01377	2.2
83.35512	1.4
84.21677	1.4
107.01407	5.3
121.02957	3.2
131.58502	1.7
149.02458	2.0
151.00375	21.8
178.99852	6.8
188.49641	1.9
203.18047	2.1
204.04625	1.6
257.22690	17.8
269.81802	1.9
295.84473	1.6
301.03540	35.6
301.06604	2.6
301.21750	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	301.2173
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.28913	0.2
60.65799	0.3
64.36088	0.3
67.27534	0.3
70.89789	0.3
91.47274	0.3
151.00334	0.6
180.11057	0.3
181.05910	0.3
217.07112	0.3
264.82123	0.3
288.06348	0.3
301.03473	0.6
301.21735	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	301.2173
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
55.29800	0.8
55.94057	0.9
59.01380	11.2
70.27956	1.0
83.04994	1.2
103.63944	0.9
151.00368	6.3
155.54579	1.1
178.99969	1.3
203.18069	1.3
209.11787	5.5
229.19649	1.5
257.22778	14.9
271.94986	1.2
301.03534	11.5
301.16592	2.8
301.21732	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	301.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16509	0.3
57.42685	0.3
57.47964	0.2
63.94611	0.2
64.64223	0.2
66.41885	0.2
68.34758	0.2
72.92664	0.3
82.64093	0.2
83.99657	0.2
90.26880	0.3
151.00351	1.5
243.10263	0.3
258.12585	1.4
283.01648	0.3
285.15048	0.3
286.15659	1.4
301.03549	2.9
301.18137	25.9
301.21710	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	302.1033
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
51.61211	0.9
59.01366	5.6
61.09309	1.0
71.01379	23.8
87.00861	11.1
89.50834	1.0
98.06111	100.0
103.28730	1.0
115.00359	6.5
119.04998	1.6
128.88463	1.1
130.33923	1.1
131.04977	7.8
147.04503	1.6
175.04041	1.2
203.34647	1.0
274.97095	1.2
302.03815	1.3
302.10330	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
53.55587	0.5
56.14417	0.6
57.03452	5.9
59.45705	0.5
65.00311	0.9
83.01394	4.5
107.01419	1.1
109.02949	2.5
123.04503	2.8
124.01703	0.7
125.02438	100.0
137.02431	1.0
139.03998	1.3
147.04504	0.8
149.02386	5.7
150.03244	3.0
151.00372	9.4
151.03995	9.6
152.01144	6.5
153.01939	10.0
161.02402	0.9
174.03207	0.9
175.04001	20.4
177.01923	15.5
178.99857	5.5
181.01419	1.2
188.04890	1.0
189.05515	5.6
193.05046	3.0
199.03993	9.5
201.01971	2.9
213.05539	2.5
216.04282	0.8
217.05038	10.2
231.06618	1.1
241.05107	7.6
243.02992	1.1
255.06682	1.0
257.04294	0.9
259.06100	5.3
275.05490	5.0
283.44354	0.6
285.04059	55.2
303.05133	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	303.0511
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.89212	0.5
59.01384	0.6
63.02383	0.9
65.00333	5.0
83.01380	2.5
94.44691	0.6
95.05012	0.8
107.01388	14.8
109.02946	8.0
123.04514	12.7
124.01593	0.8
125.02448	9.3
130.42577	0.5
137.02437	1.9
139.04018	4.9
151.00374	69.9
151.04004	100.0
153.01909	0.8
156.02533	0.5
163.04021	1.1
163.81947	0.6
164.01173	7.8
165.01926	1.0
175.04054	0.6
177.01918	2.9
178.02679	1.1
179.03473	10.0
185.11766	3.5
241.05244	0.6
243.03073	0.8
259.02499	0.6
261.64218	0.6
275.05695	1.0
285.00400	1.1
285.04059	2.5
303.01913	1.3
303.05124	28.0
303.08737	12.9
303.12234	1.3
303.18396	0.9
303.21713	1.1
313.45343	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39988	0.6
57.03454	6.8
57.17228	0.7
65.00337	1.3
67.46416	0.7
78.80479	0.7
83.01388	4.4
90.11672	0.7
93.61527	0.6
107.01397	1.0
109.02944	3.2
116.76212	0.6
121.02952	1.3
123.04524	1.6
125.02445	100.0
125.99435	0.7
137.02463	3.5
139.04037	1.4
147.04543	1.2
149.02469	7.3
150.03204	5.5
151.00398	9.6
151.04013	8.7
152.01126	7.6
153.01929	9.1
174.03223	1.7
175.04002	18.7
177.01942	17.9
178.99883	6.0
181.01428	3.3
185.06136	0.8
188.04799	1.3
189.05576	4.6
191.03442	1.0
193.05037	4.6
197.06088	0.8
199.04016	8.5
201.01768	1.5
213.05643	1.1
216.04251	2.8
217.05040	11.1
231.06627	1.3
241.05112	6.7
243.02998	1.4
257.04575	1.2
259.06079	4.5
275.05591	4.8
285.04065	62.6
303.01996	0.8
303.05167	18.5
303.08670	1.2
303.14502	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	303.0513
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
57.03447	5.8
59.01379	1.3
76.51009	0.8
83.01402	4.2
84.00244	0.8
107.01399	1.0
109.02948	4.3
121.02934	1.1
123.04501	2.1
125.02446	100.0
137.02431	3.5
137.68889	0.9
139.03995	1.9
149.02438	5.7
150.03209	4.9
151.00383	9.1
151.04027	8.6
152.01147	5.8
153.01981	10.4
165.01941	4.8
165.05507	1.4
167.03496	1.7
174.03241	2.1
175.03987	20.4
177.01938	16.3
178.99884	7.5
181.01328	1.3
189.05579	7.1
193.05069	3.8
197.06052	1.1
199.03995	9.3
201.01982	3.9
213.05617	1.5
216.04372	1.4
217.05028	12.0
231.06665	1.5
241.05028	7.1
253.01253	0.9
259.02505	1.4
259.06137	4.8
275.05649	4.4
280.24411	1.0
285.04071	63.4
303.01730	1.9
303.05106	19.1
303.08514	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	303.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93075	0.9
60.99080	0.9
61.35684	0.8
61.81890	0.9
83.01384	6.5
92.20041	1.3
93.03479	1.1
95.05016	6.1
97.02939	25.9
108.02140	1.4
109.02925	7.9
114.84840	1.1
121.02958	1.2
122.03763	9.4
123.04483	5.3
125.02425	9.2
135.04442	1.4
137.02449	92.4
138.03236	5.8
139.04033	9.0
148.01732	1.3
149.02441	2.2
150.03214	8.1
151.04016	4.9
161.02428	2.3
163.03941	4.0
164.01103	1.4
165.01929	4.5
165.05562	8.3
166.02687	2.1
167.03464	1.3
167.18764	1.0
179.03494	1.8
192.61308	1.0
201.05536	1.3
202.06393	6.8
204.04268	4.6
217.08702	4.9
219.06627	6.0
220.07396	17.4
226.06343	4.3
235.09795	8.2
237.11099	1.1
241.05028	1.2
241.08603	1.5
243.06609	1.4
244.07408	9.1
259.09668	8.3
269.04724	1.7
270.05267	5.4
285.07794	8.6
303.08752	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	303.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.3
64.90422	0.7
65.00317	1.0
69.03455	1.0
83.01395	10.2
85.64043	0.8
93.03450	3.1
95.05054	1.3
97.02953	7.5
107.01379	1.3
107.05025	3.1
108.02216	1.0
109.02953	9.5
121.02938	1.2
122.03734	13.5
123.04496	3.0
124.01653	1.2
125.02438	90.6
137.02446	100.0
138.03235	4.7
139.04008	4.5
148.01689	1.3
149.02446	5.7
150.03218	22.1
151.00403	6.3
151.04037	13.5
152.01131	5.0
153.01906	5.6
161.02417	1.7
163.03984	1.0
165.01947	6.8
165.05559	11.8
166.02701	5.5
167.03450	3.4
173.06046	1.7
174.03215	3.0
175.03987	14.3
177.01973	13.8
177.05363	0.8
178.99847	4.5
179.03479	1.1
180.00804	0.8
181.01521	1.2
187.04028	1.6
188.04904	0.9
189.05568	4.1
193.05057	4.2
195.92319	0.8
199.04051	8.6
201.01920	1.6
201.05568	3.9
202.06354	4.9
204.04399	1.4
216.04280	1.0
217.05035	10.3
217.08629	1.5
219.06592	1.1
220.07404	9.7
226.06378	1.0
229.05046	1.5
230.05734	0.8
235.09682	1.1
241.05042	5.8
244.07455	7.5
257.80276	0.9
259.06052	4.4
259.09753	2.9
269.04486	1.3
270.05304	4.6
275.05585	2.8
285.04065	54.3
285.07321	3.4
303.05121	12.5
303.08740	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0875
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
51.24549	1.0
92.73502	1.3
95.05002	2.8
101.64327	1.5
107.03020	1.6
109.02946	47.3
113.56364	1.8
123.04515	96.9
123.05410	3.4
124.01643	5.4
136.01620	2.1
137.02431	3.0
138.03186	1.8
139.04005	31.8
145.02966	6.3
150.03203	8.4
151.03998	38.6
153.05554	2.1
163.00282	1.7
163.04024	14.3
164.01158	58.5
167.79962	1.6
178.02754	12.3
179.03494	86.1
181.05096	1.9
184.71931	1.3
193.05049	5.5
195.06625	2.5
303.08740	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	303.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82212	0.6
55.94727	0.7
57.03467	0.7
59.01401	0.7
68.01415	3.0
70.72760	0.7
73.02936	3.3
79.99364	0.7
82.79572	0.8
92.20005	1.0
96.00965	1.0
97.01684	4.2
98.02476	100.0
110.02481	10.5
116.05059	13.1
124.64488	0.8
125.02431	5.5
130.05109	8.8
141.01959	1.0
143.10797	1.2
151.04012	1.1
153.01932	1.0
185.11806	8.5
211.13370	5.6
227.08270	66.5
231.10968	0.8
241.14386	3.3
259.10898	1.7
285.04187	2.9
285.20682	3.3
286.39746	0.9
303.04138	7.5
303.13953	4.2
303.21817	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1968
Annotation	Caribenol B
Peak:m/z	Relative Intensity
52.08123	0.7
68.82539	0.6
72.72070	0.6
76.80898	0.7
83.05019	2.7
97.06581	1.5
120.31335	0.7
121.50377	0.7
123.04542	1.0
133.51765	0.6
163.07613	1.2
165.01942	7.7
179.03436	0.7
245.11769	0.8
257.19040	1.2
259.02557	7.6
259.20679	4.8
260.14133	12.2
277.21866	0.9
285.00278	5.2
288.02628	0.9
303.01422	4.5
303.04950	1.4
303.08658	1.5
303.12344	4.1
303.16150	7.8
303.19635	100.0
309.87469	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	303.1966
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.15215	1.3
53.68459	1.3
55.66557	1.4
59.01387	2.1
61.54203	1.6
97.06572	16.4
99.08166	6.2
101.01790	1.4
123.08150	7.3
125.02363	1.6
125.09721	11.4
133.10268	1.9
158.32887	1.5
165.32295	1.6
177.12843	1.9
178.63736	1.6
211.07500	1.6
241.19492	1.9
259.17117	2.2
259.20624	6.1
275.20190	8.9
285.18634	19.3
303.19678	100.0
303.22958	3.5
312.93329	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	303.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38850	0.3
53.73812	0.3
58.64758	0.4
59.01387	0.3
60.97264	0.3
65.28204	0.4
127.11270	0.8
136.01665	1.5
137.02422	1.9
147.56700	0.4
239.20299	0.5
245.79268	0.4
260.87823	0.4
267.19699	4.6
283.19077	1.4
285.20731	100.0
303.04739	0.4
303.12393	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	303.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.7
59.01385	97.3
93.16348	0.7
108.05455	0.8
120.71172	0.6
125.02444	1.4
152.00726	0.8
180.92792	0.7
185.11816	0.8
195.17473	1.0
209.19131	3.0
211.13245	0.7
211.17081	3.0
213.18640	1.0
223.17265	1.0
239.20139	6.2
241.18103	14.5
243.19633	6.1
285.04089	1.1
285.20685	5.9
303.04300	1.1
303.21799	100.0
315.74789	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	303.2178
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
59.01385	30.5
63.01920	0.5
73.02962	0.8
90.61440	0.8
99.08147	2.8
113.09736	3.2
114.57323	0.7
125.02391	1.2
140.70889	0.8
141.09258	8.0
143.07150	2.9
143.10789	3.1
151.00323	1.3
153.00856	1.1
157.08646	1.2
157.12376	1.3
172.86031	0.6
185.11865	8.9
223.17009	0.7
243.19626	4.1
285.04309	1.1
285.20737	3.2
303.04221	7.9
303.07596	0.8
303.14529	3.0
303.21780	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	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
52.23080	0.6
59.01385	7.0
60.71077	0.6
65.62057	0.7
66.97277	0.7
74.72014	0.7
87.34480	0.6
90.54909	0.7
101.95336	1.0
128.14404	0.8
163.73245	0.7
217.42232	0.7
303.23300	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
52.98335	0.2
53.65627	0.2
61.99100	0.3
75.40556	0.3
90.09007	0.3
112.46867	0.3
204.53229	0.3
237.69318	0.3
303.23303	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
52.39078	0.7
55.96125	0.7
59.01379	6.0
67.22684	0.9
83.05019	2.2
86.42468	0.9
98.12786	1.0
101.55808	0.9
107.87257	0.8
115.48168	0.8
115.99389	0.8
118.58204	0.9
123.08151	10.6
137.89581	0.8
156.53841	0.9
241.16006	1.1
243.17529	13.4
259.20715	22.6
259.23831	1.3
293.97604	0.9
303.19598	24.3
303.23282	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91210	57.6
55.67964	45.7
59.01410	84.2
61.98816	71.0
99.27083	70.0
111.90263	74.5
117.57150	58.7
294.08133	69.3
303.99774	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	304.1556
Annotation	Cetraxate
Peak:m/z	Relative Intensity
63.47566	0.8
69.65807	0.8
77.78355	0.9
92.20015	1.6
232.17039	9.0
246.15048	1.3
260.16556	100.0
304.15549	46.2
304.19031	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	305.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22657	0.4
64.36824	0.4
66.61847	0.4
66.87366	0.4
68.27747	0.4
83.20206	0.4
87.00875	100.0
109.02960	4.6
111.04496	7.0
114.87299	0.4
115.00376	0.5
125.02435	0.7
130.99864	5.3
131.07158	0.7
137.02489	4.2
139.04082	0.4
155.03511	1.9
163.03978	2.4
175.02560	0.6
179.03329	0.5
181.05067	1.6
192.33511	0.4
287.04083	2.2
305.05139	24.8
305.08395	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	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03456	1.6
81.03453	1.4
83.01400	2.1
95.05023	2.3
97.02928	1.3
103.03902	1.3
104.50812	1.0
109.02937	4.1
111.04541	8.9
118.25710	1.2
121.02900	1.5
123.00872	2.4
124.01674	1.9
125.02440	100.0
135.04518	1.6
137.02440	25.5
138.03198	1.2
139.03995	18.0
159.04518	1.6
161.02444	1.8
162.03223	1.5
164.01169	8.1
165.01927	24.6
166.02808	1.3
167.03502	24.4
175.03987	1.8
177.01955	1.6
177.05612	5.6
179.03511	18.4
191.07115	2.0
201.05522	1.3
203.03619	1.4
204.04274	5.7
204.31523	1.2
218.05833	1.3
219.06635	22.4
221.04576	6.7
261.07690	2.2
278.67126	1.1
291.25815	1.1
305.06699	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
59.01390	6.1
71.01373	2.6
81.03471	0.9
81.07063	1.2
83.01405	2.4
89.02441	4.4
90.91180	0.7
93.03466	0.8
95.01408	0.8
95.05028	2.8
97.02944	1.5
101.02441	2.4
109.02933	6.0
111.04529	10.8
113.02479	1.0
119.03436	0.9
121.02958	0.8
123.00900	5.1
123.04569	0.8
124.01611	2.4
125.02441	100.0
135.04497	2.3
137.01437	1.3
137.02451	26.5
137.03491	1.0
138.03247	0.8
139.04025	21.3
147.04408	0.7
151.04033	1.2
158.03731	0.7
159.04489	1.2
161.02415	3.2
164.01193	6.7
165.01933	22.3
166.02740	1.2
167.03491	26.4
175.04018	3.5
177.01913	1.5
177.05574	5.9
179.03500	18.4
181.05069	0.7
181.51942	0.6
191.07153	2.7
201.05576	2.3
203.01834	0.7
203.03522	3.9
204.04259	4.6
218.05923	0.8
219.06628	17.7
221.04559	9.3
224.28810	0.6
237.07649	0.8
241.25934	0.7
261.07690	6.8
271.28784	0.7
287.05591	1.1
303.05911	0.6
305.06677	88.8
305.12408	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	305.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.7
66.75581	1.5
68.99781	1.8
81.03467	2.0
83.01386	7.9
108.63425	1.6
109.02959	17.0
111.48846	1.5
112.29556	1.6
112.31564	1.6
121.02908	2.9
123.04498	7.7
124.16302	2.1
125.02443	100.0
126.34288	2.0
137.02437	17.8
139.04008	2.1
149.02475	4.1
151.00375	7.3
151.03986	10.9
153.00775	3.4
153.01933	56.7
161.02414	21.4
164.01137	4.1
165.01901	13.3
166.02702	1.7
167.03442	7.0
177.05579	2.4
179.03441	2.1
183.02956	2.1
189.05582	3.7
192.00516	2.6
195.03011	9.4
202.02664	1.8
217.05060	3.1
219.06511	3.5
233.04527	3.4
234.26088	2.2
261.04138	3.5
261.07706	3.9
277.70056	2.2
287.05630	11.0
305.02985	10.6
305.06644	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
64.44025	1.1
70.00990	1.1
73.02937	1.1
74.02474	14.4
81.03453	1.5
81.50484	1.2
83.01395	4.3
85.13909	1.1
92.85561	1.0
93.03452	1.4
95.01367	1.5
98.02444	2.1
99.04459	1.4
107.69843	1.2
109.02941	15.3
110.23970	1.1
110.29924	1.1
110.31586	1.2
111.00858	1.3
116.03526	6.4
121.02920	7.5
123.04494	2.6
125.02438	100.0
132.04529	2.9
137.02448	22.4
139.00330	1.8
139.03958	5.3
149.02431	7.9
151.04005	2.4
161.02452	27.4
162.03198	1.6
164.01173	8.9
165.01945	10.3
167.03487	10.2
175.03978	1.5
177.05550	6.4
179.03595	4.4
195.02991	8.0
201.05431	2.8
219.06523	1.6
221.04353	1.3
243.06709	2.0
261.08618	1.7
269.04404	5.3
287.05670	9.6
305.06680	51.0
305.15952	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	305.0668
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.15638	1.2
59.23512	1.3
80.94747	1.4
83.01396	3.0
86.28950	1.6
95.01399	2.0
95.05025	2.1
97.02932	3.1
99.00863	3.8
108.02161	1.5
109.02953	20.5
111.00884	9.2
117.51824	1.8
121.02932	2.7
123.00882	9.0
123.04490	7.7
124.01688	2.3
125.02444	78.5
137.02443	27.7
139.00391	12.9
139.04054	11.9
140.01244	2.5
141.01897	1.5
141.99950	1.9
149.02457	7.8
151.04047	3.6
153.01944	2.8
159.04575	2.2
161.02411	17.8
162.03210	3.0
163.04056	2.0
164.01151	6.4
165.01930	18.0
167.03531	16.2
175.03944	2.1
177.05573	3.9
179.03503	7.9
182.70155	1.7
219.06619	16.5
219.24907	1.4
221.04588	3.2
243.06538	1.9
261.07635	5.9
269.04724	2.2
287.05698	12.6
305.06677	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	305.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01385	9.5
59.93655	1.0
63.64080	0.8
71.01385	18.6
71.89952	1.0
72.99314	3.5
75.00890	1.3
78.74181	0.9
83.01385	1.0
85.02956	5.7
87.00876	67.6
99.00883	1.1
101.02467	3.8
103.04025	4.5
109.02934	3.6
111.04525	4.1
115.00370	72.4
125.02438	6.9
127.00399	1.2
129.05611	1.4
130.99841	1.8
137.02438	4.8
139.03941	3.0
147.06638	34.9
151.03983	0.9
155.03438	1.1
156.87915	1.1
163.04037	1.8
175.02486	100.0
181.05066	1.2
191.05606	2.0
219.06561	1.0
223.22040	0.9
261.06052	1.2
305.05374	12.9
305.08813	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	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.22808	0.3
82.02949	2.9
87.00906	0.4
96.04545	2.2
99.13228	0.4
105.22616	0.3
120.04472	0.5
122.03736	0.6
122.06133	1.7
125.02414	1.6
136.04004	1.3
138.05611	100.0
139.04076	0.4
139.50180	0.4
169.01495	0.4
178.08731	0.5
188.07178	0.7
190.08682	0.7
202.08710	0.7
218.07014	1.5
218.11879	2.1
233.09306	7.4
245.09303	0.5
261.12485	9.0
271.08453	0.6
287.10315	1.6
305.11441	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	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41919	1.4
57.03438	1.2
59.01384	100.0
71.01380	44.7
73.02968	2.0
81.07100	43.9
83.01392	2.4
85.02941	10.7
87.00890	2.8
89.02440	66.5
95.01368	2.4
101.02439	38.6
112.45605	1.7
113.02444	21.6
116.38868	1.5
119.03493	19.6
125.02423	13.7
125.06042	5.1
128.03511	2.8
131.03563	2.6
132.04562	2.3
137.02422	2.9
139.03976	2.4
157.07738	2.2
158.06145	2.6
161.02483	2.3
161.04593	2.1
166.39125	1.5
167.03534	1.8
179.05630	7.0
198.39359	1.5
219.07852	2.2
261.08801	16.9
266.33890	1.6
305.06757	6.8
305.12482	82.1
305.16016	10.2
328.16736	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	305.1396
Annotation	Tenulin
Peak:m/z	Relative Intensity
59.09393	0.3
63.79373	0.3
90.47086	0.4
132.23820	0.4
137.02422	5.1
149.02451	3.1
150.03220	100.0
151.04012	5.2
153.01930	20.3
155.03494	4.0
166.02710	1.0
173.17407	0.5
177.01958	2.6
186.20224	0.4
190.06415	1.0
194.02194	12.9
195.02985	3.3
261.14987	5.3
274.23499	0.5
277.70813	0.5
305.13953	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	305.1607
Annotation	Creoside II
Peak:m/z	Relative Intensity
51.13042	2.6
55.01880	6.4
56.62566	2.4
57.03449	7.3
59.01385	65.0
65.30791	2.4
65.46790	2.7
71.01384	100.0
72.99316	3.3
73.02949	36.0
83.01397	21.3
85.02953	48.8
85.06580	4.9
87.00876	13.6
89.02442	18.4
90.12341	2.7
99.00883	11.4
101.02440	79.0
109.02953	13.8
111.00891	3.4
113.02438	37.4
119.03503	4.1
125.02429	62.7
137.02446	19.9
138.03125	3.0
139.04001	13.5
143.07108	18.5
143.10808	22.6
153.01930	13.3
155.10837	4.3
157.08725	23.5
159.03032	5.0
161.04510	40.5
165.01894	6.0
167.03471	11.8
173.06189	3.5
179.03508	5.3
203.03519	3.7
217.08775	3.3
217.10828	14.6
219.06497	5.3
228.01256	2.8
305.03354	5.4
305.06723	60.7
305.12424	18.5
305.16089	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
56.21051	1.3
59.01377	3.7
59.25495	1.4
71.05016	41.6
75.98886	1.6
77.14766	1.4
81.03474	2.4
83.05017	1.6
85.92280	1.5
95.05012	15.8
98.14252	1.4
109.06564	15.1
111.04512	2.1
121.06580	6.1
127.07679	2.9
131.04927	1.5
135.08128	2.2
137.71309	1.6
140.61148	1.6
147.08136	2.3
165.09196	13.4
189.12849	19.1
205.16010	16.0
215.10936	1.5
231.13879	2.6
233.11861	7.5
243.17587	11.0
249.15009	13.0
269.15442	2.1
271.13361	2.5
273.71048	1.6
287.16534	78.5
305.14105	3.5
305.17599	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
50.04908	0.8
50.61237	0.7
57.03450	1.4
59.01370	1.3
60.58952	0.9
62.00878	0.8
65.03939	1.2
71.05015	7.2
79.05534	10.7
88.72406	0.9
93.03485	1.9
97.06583	12.6
106.04240	4.9
109.06589	2.3
120.05795	2.3
121.06592	3.5
121.90260	0.9
123.08162	6.0
125.06056	1.2
125.09718	13.7
135.08167	100.0
137.09741	1.4
151.11250	1.9
163.11266	1.3
168.36131	0.9
177.13086	1.1
185.11797	1.0
189.12827	1.1
205.16006	7.0
207.10263	2.1
209.11942	1.5
221.11838	1.2
233.11855	2.2
249.14964	46.1
287.16531	6.7
305.07227	1.2
305.17599	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01374	6.2
78.34035	0.9
92.20069	0.9
114.57161	0.9
125.02441	1.0
187.29132	0.9
201.02260	0.9
204.73160	1.0
256.52487	1.0
263.61493	1.0
267.79947	0.9
274.80792	0.9
305.06818	1.0
305.24884	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.73190	0.5
59.01390	6.1
83.64864	0.6
84.38124	0.5
305.24875	100.0
317.52469	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	305.2488
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
54.09463	2.4
55.93509	2.7
59.01376	11.3
59.70034	2.2
63.66238	2.6
65.54608	2.4
72.34570	2.8
80.28317	2.7
96.95995	3.9
112.21371	3.1
125.02390	5.1
158.54840	2.5
224.65868	3.1
261.22293	5.4
265.21280	2.5
295.59988	3.4
305.06696	4.2
305.21527	11.6
305.24854	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	307.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	1.7
59.01099	1.7
59.01385	31.0
59.01678	1.7
63.77146	1.0
63.84444	1.2
69.03453	1.6
71.01382	19.8
73.02940	4.9
82.79144	1.0
83.01376	8.1
85.02940	26.9
87.00854	5.5
89.02436	17.7
93.03441	17.2
99.00858	5.3
99.04515	1.9
101.02444	10.7
111.00876	2.4
112.98796	25.2
113.02435	23.6
115.00357	2.2
117.03455	10.3
119.03506	2.0
119.05009	22.0
127.00361	1.5
127.04039	2.9
129.01884	1.5
130.99890	2.0
131.04993	1.7
131.95930	1.3
133.02951	1.4
133.05026	1.8
145.05077	1.6
145.06577	6.3
147.04501	19.3
156.05803	5.0
157.06577	33.0
159.04510	7.4
159.86821	1.3
160.05301	18.1
161.04655	4.7
161.06062	10.9
163.04004	2.6
171.04517	1.5
172.05246	1.7
173.04488	5.3
173.06073	23.1
174.01639	1.5
175.03969	7.9
175.07646	17.3
177.05537	1.9
187.04042	1.6
189.01915	25.5
189.03848	7.7
189.05499	2.2
190.02718	100.0
191.03473	6.5
191.05455	1.9
191.07169	2.5
201.05566	5.0
203.03482	4.5
205.05042	18.6
219.06595	1.6
229.03340	1.3
233.04593	5.7
235.06129	2.8
245.04509	1.9
247.04498	5.6
249.09734	1.2
251.89775	1.2
261.09744	1.6
263.05594	50.0
307.06677	16.3
307.10324	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34233	0.9
51.16417	0.8
52.61118	0.8
57.03443	0.9
59.01382	76.7
63.72954	1.0
71.01380	42.3
72.99298	2.1
73.02949	8.7
75.00879	1.1
83.01382	5.0
85.02950	19.4
87.00870	4.6
87.41242	1.1
89.02438	42.2
93.03433	4.2
95.01358	4.5
96.96909	1.4
99.00905	7.4
99.04539	1.5
101.02447	38.0
101.03105	2.0
111.00853	1.4
112.98808	10.8
113.02447	22.0
117.03377	1.2
119.03478	12.8
119.05000	1.6
127.04019	1.6
129.01920	2.1
133.05061	1.2
143.03465	1.1
145.02960	1.3
147.04562	1.4
157.06612	4.7
160.05309	1.1
161.04613	7.6
161.05937	1.3
163.04045	1.3
173.00952	1.2
173.04564	4.1
173.06125	1.7
189.01862	2.1
190.02713	12.9
191.05606	5.2
205.05057	1.2
243.15144	1.1
263.05515	4.5
274.73611	1.1
307.06827	6.0
307.10342	100.0
314.15469	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	307.1189
Annotation	2-Ethyl-5-carboxypentyl phthalate
Peak:m/z	Relative Intensity
57.03433	0.8
67.65591	0.7
69.03457	23.6
71.01389	0.8
92.20113	1.0
95.01385	25.9
107.05008	1.8
108.02155	3.2
109.06583	3.7
111.00903	1.1
118.27209	1.0
120.05803	0.8
121.02961	0.9
122.03719	3.3
124.01655	1.2
144.05756	1.0
147.11732	1.1
149.09737	7.5
152.01132	0.8
162.06833	5.6
163.11324	1.1
165.12849	30.2
172.08910	0.9
177.12791	1.5
191.10794	13.5
191.14423	1.8
193.12340	5.5
201.12856	1.9
219.13901	72.6
245.11858	1.8
263.12885	39.9
272.77249	0.8
294.97519	0.9
307.11890	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39568	0.7
54.74770	0.9
59.01383	49.5
71.01379	20.2
73.02943	5.6
83.01357	1.7
84.18767	0.9
85.02962	1.9
89.02438	28.7
99.08166	1.3
101.02436	17.0
112.72293	0.9
113.02443	10.9
115.60094	0.9
119.03504	9.5
125.02410	3.8
127.07629	13.6
145.08698	10.5
189.07857	1.2
192.66887	0.8
225.11906	1.0
241.20163	0.8
276.12643	0.9
283.67252	0.9
307.13995	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	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
59.01099	2.6
59.01385	40.7
59.48190	1.1
63.84745	1.4
71.01392	16.5
72.63252	1.4
81.59521	1.2
83.01402	1.9
85.02959	2.8
89.02438	25.3
101.02444	16.2
113.02424	9.2
117.48154	1.7
119.03477	8.7
127.07652	9.2
145.08693	14.7
183.90817	1.3
200.81865	1.4
216.89490	1.3
307.14001	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	307.1553
Annotation	Nitrosin
Peak:m/z	Relative Intensity
53.21228	0.7
55.58016	0.8
57.03463	1.0
59.01388	41.8
59.01685	1.5
64.80184	1.0
75.58971	0.8
88.70172	1.0
92.19485	1.7
95.05028	3.8
99.04544	1.3
99.22619	0.9
102.86698	0.9
135.08168	1.0
135.46233	0.9
137.09763	1.7
164.08513	1.0
189.12860	2.2
191.14418	4.8
193.16040	3.6
203.14467	5.5
219.13939	4.0
221.15486	89.9
230.13185	4.1
237.14995	16.7
245.15440	13.5
247.13300	4.1
248.81325	1.0
263.16574	24.0
265.14465	100.0
279.16019	16.5
295.91635	0.9
307.15552	65.8
307.18729	3.0
312.53033	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	307.1917
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03453	11.1
59.01385	9.6
71.01386	5.1
83.05035	4.5
86.75253	2.1
95.05042	7.9
97.06580	16.9
111.08147	15.0
123.04438	4.0
125.09765	4.1
127.11278	2.3
137.09773	4.2
149.09726	2.6
151.11292	27.7
153.09172	3.1
153.12854	5.0
155.10789	10.3
158.85782	2.4
163.11278	9.3
165.12851	29.9
167.10703	4.6
177.12825	3.9
179.10802	3.3
181.01524	2.2
181.12373	34.6
185.11830	2.7
191.10777	17.3
191.14517	4.7
209.11821	68.8
211.13405	10.7
227.13023	2.7
245.19080	38.2
263.20212	12.3
289.18106	44.9
307.19159	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	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
51.19342	0.4
51.68061	0.4
59.01383	0.9
59.12211	0.6
59.91122	0.4
66.77599	0.5
75.14872	0.6
76.52171	0.6
81.03455	9.0
81.48843	0.5
92.19406	0.9
113.08388	0.6
122.03745	1.3
125.02414	7.5
127.85519	0.5
142.61296	0.6
151.00377	1.3
221.19127	3.3
223.16978	6.1
262.88245	0.5
263.20160	66.4
289.18143	1.1
304.08310	0.6
307.19162	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
50.37930	0.7
58.31555	0.7
59.01369	1.0
70.15443	0.7
71.05010	4.6
74.31507	0.7
81.03468	1.2
95.05014	1.3
106.04332	0.8
109.06583	14.1
111.04502	6.0
119.53780	0.8
127.07642	4.2
128.10245	0.8
130.25122	0.8
137.06117	1.1
143.10760	1.0
144.37115	0.8
145.06596	1.5
153.24658	0.8
167.10773	1.6
167.34373	0.9
195.13934	5.0
202.64363	0.8
245.19066	4.7
251.16537	1.4
271.17117	0.9
287.16400	1.2
289.18109	100.0
307.19153	8.7
328.41473	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.06142	2.6
59.01382	3.9
59.55725	2.6
69.24859	2.7
73.67286	2.8
81.03438	3.7
83.01380	13.9
88.74412	3.3
90.59747	2.7
93.78361	3.0
97.02946	4.2
97.06573	6.5
111.07939	3.3
123.04486	6.9
125.09707	18.8
135.08186	4.9
137.09698	13.2
141.12846	3.0
163.11267	23.8
181.12381	3.1
185.11852	22.3
191.14374	13.1
207.10214	6.3
209.11853	49.7
225.11305	12.9
245.19125	40.6
271.16931	4.5
283.20383	3.8
289.18076	100.0
307.19153	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
57.03447	11.6
59.01385	5.7
59.83234	2.4
69.03471	3.9
71.01387	5.8
83.05038	3.8
94.30083	2.5
97.06583	17.3
97.07156	2.6
111.08137	11.3
125.09743	5.7
149.09752	3.4
151.11311	19.5
153.12775	3.1
155.10753	11.6
163.11282	4.4
165.12848	20.6
167.10742	3.2
171.94339	2.9
181.12366	28.0
191.10828	15.0
191.14395	5.6
209.11832	55.2
211.13472	10.6
245.19130	27.1
263.20105	5.0
275.86160	3.1
289.18173	32.9
307.19186	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
64.01710	0.6
69.47150	0.5
95.93243	0.6
118.01511	0.6
154.81253	0.6
176.93758	0.6
307.22803	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	307.2645
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.05046	0.4
71.42226	0.5
74.18937	0.5
149.80861	0.6
176.33446	0.7
307.26462	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	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
51.16313	0.6
54.10027	0.6
59.01389	6.6
83.05030	0.8
83.82465	0.6
85.24624	0.6
85.31339	0.6
90.21600	0.6
94.74525	0.7
155.39888	0.6
162.98442	0.6
263.81714	0.7
277.54962	0.8
280.50845	0.9
289.25073	0.6
307.26453	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	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.01713	0.5
60.90545	0.3
71.01386	3.6
88.04034	19.4
88.04567	0.7
89.02458	0.7
92.20139	0.4
101.02437	0.8
104.78448	0.3
114.01960	3.4
115.00372	9.0
119.03455	0.4
132.03023	100.0
134.03745	8.5
149.06078	4.7
160.01601	0.6
175.04047	2.2
177.73555	0.4
190.08032	0.5
193.05057	2.8
246.07716	0.4
264.08682	0.7
308.07782	14.1
308.14203	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	308.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23180	1.1
59.01384	1.3
67.51953	1.3
71.01384	16.0
85.44492	1.2
88.04055	2.1
94.27149	1.5
105.28261	1.4
105.64915	1.3
108.02188	1.7
114.01954	19.3
115.00355	23.9
123.04552	5.7
132.03021	31.0
134.02731	2.9
134.03751	61.4
134.04723	2.8
146.79431	1.5
148.80501	1.3
149.06070	46.1
160.01624	1.6
162.03262	2.5
162.97096	1.4
170.04111	1.7
175.03981	3.0
177.05649	1.4
177.07953	2.0
187.06372	2.2
192.06683	34.4
193.05048	23.9
204.06644	1.7
246.07704	5.4
264.08829	7.2
308.07809	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	308.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68937	0.8
83.10426	0.8
107.78156	0.8
114.05606	100.0
114.11775	0.8
119.33971	0.8
128.03560	8.3
154.76520	0.7
167.56169	0.8
202.88733	0.7
215.77180	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	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92177	2.3
54.19448	2.1
58.40990	2.1
61.67893	2.2
96.95969	3.6
100.66519	3.1
121.02948	5.0
133.60277	2.8
135.04623	2.5
137.02438	3.8
138.03246	25.7
144.25076	2.6
145.06557	3.9
149.02440	100.0
151.04010	14.6
152.04779	6.4
153.05569	40.3
160.05272	5.0
161.02431	20.2
166.02681	5.9
175.03957	18.9
177.05573	4.1
177.09059	3.4
180.04285	3.6
181.05067	84.0
188.04825	37.1
193.01428	35.3
203.03540	13.5
203.07115	36.1
205.01466	3.9
206.05864	15.7
207.06702	3.2
221.04556	6.0
221.08183	38.2
247.06166	4.6
265.03564	54.0
265.07175	31.5
265.09982	4.4
265.14362	2.5
309.02533	36.7
309.06192	41.5
309.09885	11.2
309.13477	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81738	0.9
71.01378	22.4
78.10238	0.8
83.19714	0.8
83.72628	0.9
111.54655	1.1
115.00347	10.1
117.03429	8.3
134.03741	100.0
149.06093	14.3
151.84970	0.9
158.27615	1.0
178.02710	8.5
193.05069	97.4
200.74873	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	309.1135
Annotation	Porphyrin
Peak:m/z	Relative Intensity
70.74438	0.4
79.74460	0.4
92.20102	0.8
92.86921	0.4
93.65546	0.5
97.98927	0.4
105.07063	0.4
139.84482	0.4
185.05972	0.5
194.07393	0.9
207.08203	3.5
211.07681	3.7
212.04636	0.5
220.59038	0.6
221.09804	0.6
222.10506	5.6
225.09196	4.6
239.07138	2.2
247.20656	0.5
250.09967	0.5
251.07143	15.3
265.21729	0.6
266.09448	14.7
279.06622	7.9
281.11780	2.9
291.19656	2.5
294.09021	36.4
309.11356	100.0
309.20633	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	309.1135
Annotation	Porphyrin
Peak:m/z	Relative Intensity
62.60142	0.6
106.64250	0.6
154.29727	0.6
174.83395	0.7
182.83762	0.6
207.08176	3.2
211.07703	3.0
222.10493	6.2
225.09283	3.4
238.06091	0.8
239.07150	3.4
251.07159	13.0
265.08197	0.6
266.09473	17.7
279.06641	5.4
281.11835	4.2
294.09018	33.6
309.11334	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.76846	0.9
54.36821	0.7
58.07611	0.7
59.01384	72.6
71.01374	31.1
73.02949	0.8
74.19229	0.8
79.43951	0.8
85.02940	4.6
89.02441	54.2
95.01353	1.8
101.02447	24.7
103.16872	0.8
113.02457	17.2
119.03499	17.0
131.03407	1.1
143.03493	1.1
179.05632	1.4
309.11932	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
59.01385	59.1
59.01684	2.2
65.94817	1.1
71.01383	23.9
73.02946	1.2
75.00868	15.3
85.02940	6.6
89.02439	35.3
95.01360	1.2
101.02444	22.6
113.02454	11.8
117.80980	0.9
119.03514	12.9
119.04997	5.1
129.01979	1.3
129.05580	3.9
143.03491	1.2
144.93500	1.1
147.04532	6.4
147.06648	5.6
159.40710	1.1
161.04587	1.6
205.05049	1.2
237.06113	8.2
290.48953	1.1
309.11926	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	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.06818	0.4
52.65241	0.5
55.01881	0.6
56.29533	0.6
59.01385	60.6
65.73862	0.6
71.01000	1.0
71.01382	22.8
73.02934	1.0
83.01413	0.8
85.02954	4.0
88.86450	0.6
89.02441	42.2
89.39516	0.6
99.00901	0.6
101.01837	0.9
101.02442	22.7
113.02454	14.3
114.04204	0.6
119.03488	15.9
129.05554	1.0
131.03517	0.7
147.06610	4.9
161.04556	0.8
179.05670	0.9
205.05093	1.5
225.15556	0.6
253.23375	0.6
309.11938	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	309.1499
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
59.53768	0.5
65.47093	0.4
71.37148	0.4
96.37245	0.5
109.17821	0.5
112.23566	0.4
136.85295	0.4
238.09999	12.3
239.10782	0.8
241.12267	0.9
247.32378	0.5
251.07236	2.2
252.11630	0.8
266.09558	2.0
279.10278	24.2
281.15265	0.5
291.19727	0.8
293.11841	11.1
294.12643	29.5
296.32925	0.5
309.14984	100.0
309.20813	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	309.1709
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
59.01099	4.7
59.01385	100.0
109.51986	2.1
111.00892	8.2
132.64720	2.0
294.19214	2.4
309.20789	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	309.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58857	1.7
56.99640	1.6
59.01100	3.8
59.01385	100.0
80.78641	1.9
102.15390	1.9
116.17434	1.9
211.12323	2.0
211.14868	2.7
294.08835	4.6
309.20810	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	309.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26337	0.5
72.11959	0.4
79.95757	2.1
80.08415	0.5
95.95228	0.6
96.96011	53.6
100.30077	0.4
122.97577	2.6
170.43422	0.5
191.48463	0.4
309.17444	100.0
309.40005	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	309.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73506	0.4
59.94125	0.4
61.93471	0.4
67.80322	0.4
79.95743	2.8
96.96009	61.6
103.42178	0.5
114.10551	0.5
122.97552	1.8
157.07225	0.5
196.04228	0.4
225.19530	0.5
260.48532	0.5
309.17441	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	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
56.12712	1.3
57.08516	1.4
57.50609	1.4
60.31475	1.5
72.10609	1.7
83.10816	1.4
87.04493	3.3
92.20054	2.7
95.55418	1.7
96.95979	2.8
99.45084	1.7
144.31064	1.8
182.03728	1.7
223.16927	8.0
235.16833	2.6
279.43118	1.8
291.19678	21.2
309.17471	7.4
309.20593	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
59.01384	3.8
62.64446	1.7
64.02435	1.5
68.33810	1.7
71.05016	2.5
85.06599	2.2
97.06602	2.5
109.06577	3.2
111.08157	8.1
111.42519	2.0
133.74936	1.8
179.14406	3.2
181.12267	2.5
195.13881	13.2
197.11871	23.5
211.13393	2.8
221.15477	12.0
223.13361	8.5
239.16699	2.2
251.16432	2.0
273.18674	2.1
291.19669	39.3
309.20724	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63848	1.3
54.62600	1.3
61.46037	1.4
72.07035	1.5
88.54431	2.1
107.68089	1.5
111.08157	24.7
153.12840	2.6
169.12302	10.2
181.12396	1.8
182.04990	1.7
197.11824	100.0
211.13441	9.7
227.12923	2.2
232.97969	1.5
263.20093	3.4
291.19681	14.6
309.17392	2.8
309.20743	57.5
309.24310	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18719	1.3
56.06545	1.4
57.03436	1.5
65.02021	1.6
68.11521	1.6
86.88073	1.9
97.05428	1.6
100.55090	1.7
111.08150	32.7
148.60919	1.7
153.12820	2.2
169.12352	10.1
181.12335	2.0
183.13924	1.9
185.77921	1.7
197.11841	100.0
199.13359	3.1
211.13406	10.4
237.54030	1.5
263.20178	6.5
291.19684	28.5
309.20721	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01376	2.9
61.49803	1.9
71.05023	22.5
96.32584	1.8
97.06532	6.5
99.00873	35.1
121.10194	8.7
125.09718	7.5
126.21536	1.8
137.09715	27.2
152.08444	3.3
167.10789	2.9
171.10265	57.2
185.11832	11.0
197.11792	2.4
208.10924	2.3
209.15477	13.2
235.17061	3.8
237.15041	2.9
247.16852	2.1
251.16580	17.8
273.18762	2.5
291.19641	61.8
305.89957	2.0
309.17389	6.4
309.20718	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
57.06735	2.0
59.01384	4.2
65.89259	2.1
69.03429	2.5
99.00861	7.7
104.07889	2.1
107.08656	2.0
111.08137	5.0
119.08672	18.1
120.62482	1.9
125.09705	9.8
137.09747	22.7
139.19798	1.9
146.14230	1.9
167.10764	2.6
171.10266	100.0
183.10191	3.9
185.11859	22.6
197.11839	20.2
199.40393	2.1
201.11290	4.9
209.15431	2.6
211.13373	9.5
211.27113	2.4
213.11263	9.7
225.14964	4.9
242.10896	2.3
270.44098	2.1
271.71689	2.2
273.18622	6.9
291.19659	49.5
309.17847	3.3
309.20706	91.0
327.66553	2.0
328.30191	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	309.2074
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
56.06813	5.2
59.01380	7.0
67.21159	6.1
83.01385	12.5
115.51568	6.9
122.18375	6.7
125.09659	15.3
128.36423	6.7
130.16158	8.1
139.11339	10.7
155.12411	8.2
165.12860	10.7
209.11780	53.6
247.20290	8.0
291.19632	100.0
309.17560	9.4
309.20767	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.28
Annotation	cis-gondoic acid
Peak:m/z	Relative Intensity
63.56961	0.6
89.95001	0.8
96.96015	6.9
113.00650	0.8
123.31362	0.8
172.31470	0.7
215.38187	0.7
219.93108	0.7
262.19370	0.9
309.17813	10.2
309.27991	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	311.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68797	0.4
59.01381	1.0
62.18316	0.5
73.58303	0.6
76.23574	0.6
133.01385	0.9
133.64801	0.6
137.02446	2.6
138.03241	1.0
146.03775	1.2
153.01939	10.3
155.03503	1.4
160.16368	0.8
163.04034	5.8
164.04794	100.0
173.04651	0.7
179.03574	0.7
179.07166	10.9
180.04309	0.8
190.02718	3.6
205.05070	6.8
208.03789	33.2
223.06122	46.1
234.01833	0.8
252.02690	1.1
267.05112	39.1
311.04102	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	311.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72675	1.5
54.04198	1.4
59.01383	3.0
66.71387	1.4
66.76395	1.7
70.58958	1.6
71.01384	32.3
72.01710	6.6
73.01795	6.9
84.78687	1.7
91.02810	1.4
115.00396	13.5
116.00728	2.1
117.00740	2.7
117.03442	10.0
119.04070	3.0
134.03748	100.0
135.04074	35.5
136.04237	45.3
149.06079	11.1
150.06412	2.9
151.06618	7.3
152.87244	1.7
153.80392	1.9
160.39400	2.2
178.02713	7.0
179.03076	2.8
179.10738	2.4
180.03239	8.0
193.05083	74.9
194.05441	39.5
195.05443	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31475	0.4
53.15328	0.4
59.01380	4.5
59.34029	0.4
62.40283	0.4
64.95396	0.3
66.51041	0.4
67.37970	0.3
93.03452	28.9
100.40151	0.4
106.60675	0.5
111.04518	0.9
137.02443	100.0
155.03514	2.1
173.04576	2.2
191.05634	2.3
221.04608	0.4
251.11310	0.5
270.75940	0.5
311.07816	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16397	0.3
57.03448	0.4
59.01376	0.8
65.09273	0.3
67.01888	2.6
71.01379	1.6
74.19488	0.3
75.15213	0.4
78.96282	0.3
79.90335	0.3
82.52519	0.4
83.04986	0.5
84.68915	0.4
93.03455	25.5
111.00844	0.8
111.04514	5.1
137.02448	25.4
155.03505	4.7
173.04541	100.0
191.05679	0.8
311.07742	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	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30254	0.5
53.74590	0.5
65.55576	0.6
67.57207	0.6
91.55045	0.7
91.63049	0.7
93.03452	100.0
109.56374	0.6
143.05013	7.1
162.44878	0.6
171.04517	20.9
184.33525	0.8
187.04008	95.2
189.05544	3.7
199.04031	4.6
217.05070	30.3
217.07201	0.9
228.97514	0.7
258.15247	0.7
281.08163	5.0
293.08209	2.7
311.09225	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	311.129
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
50.76161	0.7
59.01378	3.4
92.14671	0.8
122.86687	0.8
131.34825	1.1
155.90482	0.9
187.07683	1.1
201.53773	0.8
212.04857	3.4
237.09242	1.0
237.15041	1.9
241.12386	3.6
248.86580	0.8
253.02750	1.2
253.05064	68.9
268.07416	28.0
296.10547	100.0
311.12949	80.6
311.16528	9.6
311.22360	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	311.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82165	0.6
86.78945	0.7
121.04199	0.7
194.50491	0.7
209.06171	0.9
222.06862	0.8
223.14912	1.3
224.08424	4.2
237.09143	5.4
237.12796	0.8
240.07840	1.0
241.08655	1.2
249.09206	1.5
250.09834	1.4
251.10753	3.9
252.11552	28.6
261.71976	0.9
264.11563	13.7
265.12289	11.1
266.13092	1.4
267.10297	4.3
267.13837	7.0
268.10983	1.6
278.09430	1.7
279.10287	1.1
281.11816	4.2
282.12589	6.0
283.13336	3.6
293.11862	4.2
294.12506	4.2
296.10831	2.9
296.14172	48.8
311.12869	100.0
311.16541	73.6
311.22321	4.9
313.04910	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	311.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50105	0.4
59.01381	2.2
63.33687	0.5
91.06033	0.5
122.43581	0.6
155.60486	0.6
252.11690	0.9
267.13919	0.9
281.11719	4.3
295.13501	0.8
296.14203	68.3
311.02426	1.1
311.16550	100.0
312.49243	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	311.1654
Annotation	Jatrophone
Peak:m/z	Relative Intensity
52.36531	0.3
53.79856	0.4
75.00349	0.4
75.15307	0.5
77.82043	0.4
80.45481	0.4
83.16846	0.5
84.96936	0.4
97.57521	0.4
107.05020	3.3
119.48827	0.5
121.06592	5.2
123.08161	11.7
187.07643	20.3
188.08443	5.9
189.09187	7.3
200.08408	2.0
241.12344	52.2
268.11057	0.6
269.15417	8.5
281.11804	2.3
293.21222	0.8
296.14172	1.7
311.16534	100.0
311.21793	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	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05646	0.3
59.01386	0.4
61.57971	0.3
63.82617	0.3
85.14787	0.3
88.21848	0.3
93.87007	0.3
98.95586	0.3
107.68619	0.3
155.10733	0.3
183.01198	20.3
184.01982	1.3
197.02759	0.5
198.03564	0.4
200.87544	0.3
212.05128	0.3
213.89899	0.3
266.62698	0.3
311.16885	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	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
61.88949	0.8
70.83956	0.9
78.13621	0.9
81.47864	0.9
84.36443	1.0
167.14429	1.4
206.83572	0.9
207.17561	1.2
223.20750	3.7
249.18579	8.9
267.19653	100.0
275.16525	9.8
281.04550	10.9
293.17627	35.7
293.20828	1.6
296.07010	4.8
311.12930	4.8
311.18802	48.9
311.22293	1.8
328.05975	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	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.05360	1.5
53.62461	1.4
71.59113	1.5
108.08142	1.7
117.19017	2.2
183.01253	12.6
183.13922	2.9
195.13892	13.2
265.21643	3.0
293.21222	18.5
311.13293	3.0
311.16837	72.5
311.22278	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.30780	2.7
54.34125	3.6
57.03445	5.2
59.01371	7.9
70.70101	3.4
71.57406	3.6
83.03757	3.7
87.04534	13.1
89.60484	3.7
92.78683	3.1
99.88236	3.7
115.04058	4.8
154.28619	3.4
174.39938	3.9
183.01180	4.7
188.08086	3.4
200.90952	3.7
223.17024	39.8
237.69978	3.7
268.03644	4.1
293.20993	6.2
296.10553	4.5
309.19888	3.6
311.01990	3.7
311.05820	3.6
311.09296	4.0
311.12839	12.5
311.16650	31.4
311.22275	100.0
314.64462	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03445	0.9
59.01369	1.8
60.26085	0.7
60.27854	0.7
60.80362	0.8
66.50507	0.7
74.75336	0.8
92.20146	2.5
99.08147	1.8
99.84239	0.9
107.29507	0.8
107.97202	0.8
113.09719	3.5
122.03668	0.8
129.09207	5.9
139.11276	3.4
149.00827	0.9
163.11163	1.1
169.12361	2.0
171.10291	7.6
181.12341	5.0
183.13937	3.7
185.11827	0.9
197.11835	7.1
199.13438	3.9
211.13400	17.0
265.21786	1.1
275.20084	1.0
293.21259	10.9
296.10544	24.7
311.09528	2.0
311.12915	17.3
311.16531	3.7
311.22290	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.04576	1.0
59.01381	2.7
64.85085	1.1
72.39739	1.2
92.20019	1.8
99.08147	3.2
100.22247	1.2
107.45724	1.3
113.09677	6.8
129.09200	9.3
155.10709	1.9
160.86423	1.2
169.12282	1.6
171.10283	2.0
181.12343	8.0
183.13837	1.7
193.12349	1.9
197.11806	9.3
198.82611	1.2
199.13385	2.2
211.13362	21.5
270.55945	1.2
275.20004	1.5
291.97101	1.2
293.21338	11.7
311.22281	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.27357	1.0
63.60388	1.0
77.33836	1.1
86.83638	1.2
99.08152	1.7
108.65024	1.2
113.09711	2.7
121.06945	1.3
129.09193	5.2
129.76306	1.3
151.11237	2.0
169.12329	5.1
181.12337	4.5
183.13855	5.3
193.12241	1.8
197.11838	13.0
199.13385	3.0
206.81294	1.2
211.13434	21.3
270.15164	1.2
276.17395	1.4
293.21262	13.6
306.72369	1.3
311.22302	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.25839	1.2
53.70186	1.2
54.31128	1.5
59.01371	2.1
62.21376	1.4
66.17313	1.3
113.09720	1.6
125.09705	2.2
137.02435	1.8
139.11310	5.9
149.09694	2.5
171.10358	4.2
174.76649	1.8
185.11842	8.4
211.13400	40.3
216.31519	1.9
223.13351	2.1
241.96742	1.7
262.25220	1.5
293.21249	100.0
311.16782	3.6
311.22217	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03457	1.0
59.01384	1.3
69.05557	1.0
75.18579	0.9
79.48997	0.9
92.20101	1.0
112.74001	1.0
129.46921	0.9
183.01231	1.7
197.02769	1.1
210.55951	1.1
249.22240	77.9
258.53818	1.0
267.23331	4.8
293.21219	27.9
311.16971	20.1
311.22299	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.34027	1.0
89.04352	1.3
92.75212	1.2
97.94980	1.3
121.10254	1.3
125.09700	2.0
127.11311	4.7
139.11319	12.8
139.68556	1.2
151.11214	1.3
155.10728	2.5
162.24777	1.4
171.10266	53.8
180.30176	1.2
183.10297	2.0
185.11900	12.3
189.01559	1.4
201.11319	5.4
211.13309	2.4
223.20671	24.3
227.22066	1.2
267.19617	6.9
275.20175	2.4
293.21185	15.9
296.10593	1.7
311.12866	4.5
311.16556	7.2
311.22266	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	312.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91211	1.2
56.78380	1.3
58.81804	1.2
74.93832	1.3
86.84078	1.3
99.10084	1.5
133.02940	1.9
145.02965	12.1
166.06299	1.8
211.07668	2.4
225.09172	3.0
238.99477	1.5
239.07149	3.2
253.05028	7.0
256.11072	30.2
267.06689	18.4
267.10373	1.9
281.08228	2.0
283.09811	11.3
284.10541	8.3
295.09723	8.8
310.08392	3.6
311.09283	34.7
312.10089	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	312.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38223	0.4
128.64995	0.4
204.60358	0.6
239.20253	0.6
258.19089	0.5
267.19681	3.8
282.92313	0.6
283.19037	0.7
285.20731	100.0
288.02475	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	313.0568
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.30009	1.2
55.65406	1.3
59.01381	3.0
71.01391	5.5
75.00876	1.7
83.01382	3.2
83.48909	1.3
87.00872	1.8
93.03445	1.5
99.00908	1.2
101.02457	1.3
105.01940	11.1
105.03404	1.4
107.05025	6.6
113.02496	1.7
115.00363	1.8
121.02940	2.6
123.04529	4.9
125.02406	1.9
135.04504	1.8
137.02365	2.0
138.89305	1.2
145.01431	7.2
149.02475	11.9
151.00342	6.7
151.03996	7.6
151.07632	6.6
161.04478	1.5
165.44048	1.2
166.27080	1.2
167.03493	49.7
175.00279	1.2
179.03474	23.7
193.01430	100.0
195.01337	2.0
195.02991	32.7
206.02161	5.6
207.03000	45.5
211.02516	3.1
213.72595	1.4
223.02490	11.3
224.03360	2.0
225.04066	17.3
253.03545	1.9
313.05777	45.3
313.09290	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	313.0928
Annotation	Cuneataside B
Peak:m/z	Relative Intensity
58.89822	1.3
59.01385	100.0
71.01382	49.4
73.02930	1.7
73.51216	1.3
75.00867	1.3
83.01364	2.3
85.02943	9.0
87.00873	1.8
89.02440	60.8
95.01387	2.7
101.02438	33.1
113.02435	21.7
119.03494	20.2
127.01077	1.4
135.02940	2.1
143.03494	2.0
151.03967	2.5
154.48103	1.5
179.05638	1.4
224.40448	1.4
269.27753	1.3
313.09293	29.7
317.27878	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	313.1083
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
51.54594	0.5
54.93694	0.5
59.01394	0.8
68.10587	0.5
71.14414	0.5
77.10992	0.6
109.34309	0.5
145.37465	0.5
171.71521	0.5
218.04921	0.6
242.05959	0.7
268.49890	0.5
269.08463	0.7
270.05405	2.5
270.08914	1.0
285.11478	0.7
297.07663	2.5
298.08502	18.2
298.11768	0.7
313.03540	2.5
313.10861	100.0
313.14285	7.2
313.18439	2.5
313.23422	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	313.1083
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
57.82053	0.4
59.15471	0.4
109.19469	0.5
109.54055	0.5
119.08103	0.6
121.02940	2.5
121.06583	0.6
191.07193	4.0
209.71844	0.5
227.07195	0.6
270.05399	2.1
297.07700	2.0
298.08530	16.2
298.11908	0.9
298.14740	1.5
313.10886	100.0
313.14349	8.4
313.17621	3.6
313.23721	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	313.1084
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
51.74265	0.4
59.01380	0.6
63.54407	0.5
149.16667	0.6
212.04808	0.8
216.00964	0.5
222.54980	0.6
224.11972	0.9
226.09946	0.8
227.03560	0.7
239.07077	0.7
239.14474	2.6
242.09489	2.8
251.14345	1.3
254.09555	3.1
255.02997	66.6
256.03830	2.0
257.11862	7.0
262.34366	0.7
269.04514	0.9
269.11816	2.3
269.15460	3.1
270.05347	29.2
271.06149	2.3
283.06168	5.9
283.13406	1.0
285.11462	1.2
295.13443	2.2
298.08487	17.2
298.11920	0.9
310.06146	0.5
313.10907	100.0
313.14484	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	313.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51446	0.5
54.93663	0.5
59.01385	0.6
75.43916	0.7
92.02668	1.0
92.20031	0.9
93.03448	21.4
108.02177	6.3
120.02157	3.8
121.02930	2.5
143.05026	1.5
147.04492	1.1
159.04472	8.8
160.05260	0.8
167.23434	0.6
169.29648	0.7
171.04588	1.2
173.06044	1.6
177.81117	0.6
225.04037	0.6
253.08708	100.0
259.64917	0.7
265.08704	7.7
283.06686	1.0
283.09793	9.8
313.10825	57.7
315.16733	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	313.1085
Annotation	Agrimonolide
Peak:m/z	Relative Intensity
52.89440	1.4
60.06233	1.5
66.73303	1.5
69.82442	1.7
85.27467	1.7
108.19416	1.7
140.90848	1.9
156.05824	10.3
159.04527	8.9
171.08156	35.5
172.05302	3.2
189.09222	16.5
198.10577	2.2
199.11374	4.2
213.12886	10.1
215.07140	3.5
225.09161	15.6
226.09981	15.3
227.03429	3.8
235.78647	1.7
239.07166	33.0
239.10774	3.3
241.12354	100.0
243.10190	9.9
251.10736	2.7
253.08719	2.4
254.09410	4.1
269.11835	31.0
298.08484	3.8
298.15796	8.7
313.03558	2.4
313.07217	3.9
313.10806	79.9
313.14429	21.0
313.18130	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.114
Annotation	TM 64
Peak:m/z	Relative Intensity
59.01384	74.3
68.13284	0.9
71.01382	41.7
72.99302	1.6
73.02962	2.0
73.09268	0.9
76.43327	1.0
82.14650	1.1
85.02947	7.6
87.00878	4.6
89.02440	74.9
89.02996	2.4
95.01380	4.6
101.02444	43.0
113.02438	22.4
119.03504	29.8
128.98621	1.7
131.03508	4.2
133.01434	1.6
143.03542	1.5
147.75673	1.1
148.85712	1.2
149.04578	2.2
151.06131	30.6
161.04568	5.1
172.99501	1.4
179.05621	21.1
186.52783	1.1
313.11429	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	313.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.4
59.01387	28.2
60.26721	1.8
63.45525	1.9
71.01391	18.9
73.06959	1.9
85.02950	2.1
87.04513	3.7
89.02438	30.4
101.02452	16.0
107.83210	2.1
109.11034	1.7
113.02466	4.1
115.03990	2.3
119.03490	8.8
129.33792	1.9
130.59090	1.8
133.05077	100.0
151.06139	10.9
179.05583	7.7
181.85597	1.9
238.30560	1.9
239.86670	2.2
243.16409	2.0
272.29410	1.7
313.11426	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1295
Annotation	Viridoside
Peak:m/z	Relative Intensity
51.72552	0.8
55.01872	2.0
56.85593	0.8
57.03461	1.3
59.01385	25.0
63.92557	0.9
65.12301	0.9
66.70094	0.8
71.01385	19.6
71.28375	0.9
73.02946	10.3
78.22963	0.9
83.01369	9.0
85.02956	17.4
86.00078	1.0
87.00873	1.6
89.02425	2.2
99.00868	4.6
101.02435	29.2
113.02449	11.1
113.97511	1.2
151.03999	2.0
151.07649	67.6
158.63718	1.0
159.02980	1.1
161.04491	2.0
313.12958	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	313.1296
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
55.01878	1.6
56.22029	1.1
57.03460	5.2
59.01382	15.1
59.98791	1.0
71.01379	26.0
73.02932	8.2
83.01375	4.6
85.02946	17.9
86.00093	2.7
87.00877	2.1
89.02435	12.9
92.20047	2.4
101.02431	2.5
101.05899	1.2
110.76863	1.1
121.02921	7.2
122.03717	5.1
131.26848	1.2
135.04514	2.2
148.05246	1.9
166.06351	45.1
167.07115	1.7
181.08711	72.1
295.45105	1.4
313.12939	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	313.1447
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
53.87383	0.6
65.08314	0.7
66.80921	0.6
88.40804	0.7
93.58160	0.6
99.60148	0.6
142.92603	0.7
183.40314	0.6
213.09232	1.0
226.10036	2.8
237.05685	0.9
251.10756	10.0
252.07999	5.6
252.11572	4.6
277.12372	1.5
280.11060	23.2
295.13409	100.0
313.03583	1.5
313.11078	2.3
313.14474	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1812
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
51.18914	0.2
52.72157	0.3
63.45827	0.3
74.66056	0.3
86.41812	0.3
97.19049	0.3
108.04208	0.3
117.07382	0.3
214.10039	4.2
215.10800	3.6
217.12437	0.3
227.10794	2.1
297.15054	0.7
298.15851	2.0
313.18121	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	313.1811
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
54.01827	0.3
58.20559	0.3
59.01381	2.8
69.31686	0.3
73.21539	0.3
82.14648	0.3
95.10425	0.3
96.37104	0.3
102.22428	0.3
107.99885	0.4
123.08150	0.5
135.08124	0.5
148.38411	0.3
162.77446	0.4
243.13945	2.5
271.22717	1.4
295.13425	0.4
311.16718	0.6
313.18115	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	313.1811
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
52.41816	0.2
59.01369	0.2
65.79637	0.2
66.26531	0.3
68.21172	0.2
81.69112	0.3
99.18873	0.3
100.87469	0.2
127.66394	0.3
129.63162	0.3
214.09929	0.2
216.75629	0.3
295.13284	0.3
297.15063	0.4
298.04785	0.6
313.18109	100.0
313.23962	5.7
332.41309	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	313.1812
Annotation	Triptoquinone H
Peak:m/z	Relative Intensity
50.13928	0.5
51.89786	0.5
55.97868	0.5
66.28412	0.6
77.20754	0.5
242.13104	3.6
259.18420	0.7
297.14920	0.7
298.15744	54.0
313.14847	4.0
313.18106	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.44451	2.2
58.99819	2.2
102.76329	2.4
183.01201	2.8
185.00742	3.6
188.60135	2.8
238.27368	2.6
251.23805	100.0
251.26419	3.4
295.22897	30.0
313.16745	45.6
313.23877	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
61.98831	0.6
65.39112	0.5
72.31184	0.6
77.67540	0.4
88.46343	0.5
92.20098	1.0
99.12252	0.5
105.65736	0.5
111.08111	0.8
118.24875	0.5
134.00363	0.5
143.10799	0.6
150.35545	0.6
157.08690	8.4
164.70091	0.6
169.12352	1.3
185.11819	0.6
269.15317	0.7
269.72186	0.5
277.21671	3.0
283.06458	0.6
295.22781	22.4
298.08432	2.2
311.22427	1.9
313.10843	4.4
313.14490	2.8
313.17917	3.2
313.23843	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48028	1.1
56.68035	1.1
58.00590	2.0
60.51067	1.0
72.71432	1.0
76.84473	1.1
97.02965	1.6
99.08154	15.5
104.86897	1.3
108.82959	1.2
127.07653	2.7
129.09216	38.4
129.10176	1.5
171.05568	1.2
183.13911	51.5
183.15540	1.9
195.13982	8.4
213.15083	1.4
277.21756	9.2
285.14734	1.6
295.22787	12.4
311.22034	1.4
313.14554	20.2
313.23883	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.52447	0.5
52.14599	0.5
53.98430	0.5
59.77749	0.6
73.88964	0.6
99.08148	5.9
129.09232	10.3
130.28316	0.6
183.13889	17.7
195.13956	1.2
214.09891	2.9
215.10757	4.4
233.49191	0.7
242.09425	0.7
252.11473	1.4
272.16013	0.7
295.16983	3.0
295.22592	4.2
297.14636	0.8
298.15649	0.9
300.31079	0.7
313.14401	15.6
313.18060	100.0
313.23734	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44163	0.6
54.21246	0.7
56.06940	0.6
75.28714	0.7
79.09750	0.6
83.77517	0.8
92.35111	0.9
127.11287	0.8
155.10736	4.2
171.10269	5.7
295.22827	11.5
311.22226	1.1
313.23859	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	313.2386
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
53.96138	0.7
58.00583	1.0
59.01383	0.8
61.78329	0.8
62.50853	0.7
67.39929	0.9
72.38869	0.8
77.55077	0.7
78.34889	0.8
84.44438	0.7
116.10256	1.0
125.09740	7.0
127.11285	7.5
137.09793	1.2
139.11285	1.5
155.10773	5.6
157.12318	1.1
165.09201	4.0
171.10234	8.2
183.10236	1.8
195.83498	0.9
199.09796	3.2
201.11334	63.7
250.98674	0.9
269.15472	1.5
277.21722	8.6
295.22769	4.8
313.14435	10.4
313.18399	9.4
313.23846	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.35472	0.7
56.82619	0.7
57.44750	0.8
59.01384	100.0
61.31147	0.8
82.65965	0.8
88.89739	1.1
225.22142	1.3
236.69231	0.9
252.35342	0.9
253.21770	9.5
271.22794	66.9
313.18228	14.0
313.23828	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2746
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.12542	1.3
57.03450	8.0
57.39270	1.5
61.77543	1.5
63.39031	1.3
79.44944	1.5
83.07438	1.4
85.12863	1.5
86.87758	1.5
91.02231	2.4
175.15247	1.6
184.32922	1.6
224.74031	1.6
251.23889	1.6
267.26938	89.4
292.50693	1.9
313.13367	2.0
313.17633	2.3
313.27490	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	313.275
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
62.52404	0.7
65.84710	0.9
74.06626	0.8
113.11110	0.8
130.00735	0.8
187.26366	0.8
224.08408	0.8
237.22267	13.3
251.23911	1.2
267.26862	5.0
281.21201	7.5
295.26321	1.3
311.26083	1.0
313.17902	2.3
313.23947	7.0
313.27466	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	315.0513
Annotation	6a,7-Dihydroxymaackiain
Peak:m/z	Relative Intensity
55.94260	1.0
59.01391	3.7
59.84493	0.9
73.02941	1.0
73.81889	1.1
74.18940	1.0
85.06603	8.9
87.04510	5.4
107.01522	1.2
109.02943	7.6
111.04465	1.1
123.86203	1.0
128.15219	1.1
136.01671	1.8
163.00417	1.3
164.01186	5.3
165.01955	1.4
169.10164	2.2
172.05305	2.3
179.03514	15.0
180.07951	1.1
185.06236	1.3
187.07632	1.9
189.09216	4.9
199.03969	4.6
199.11342	1.7
200.04906	1.6
200.08421	1.8
201.09224	5.0
211.04031	2.1
214.06401	1.6
214.08469	1.5
215.03456	1.7
215.10797	5.6
216.04240	1.6
226.02728	14.4
227.03548	8.3
228.04312	1.7
229.08643	8.6
230.09625	1.3
239.03609	2.1
239.07051	1.4
239.09291	2.0
243.02971	20.4
244.03845	2.5
253.05013	1.4
254.02237	6.7
255.03030	13.7
256.03827	5.7
259.06152	14.6
264.11548	1.4
269.04590	29.6
269.15469	2.6
271.02414	6.8
271.06134	4.3
271.12048	1.9
272.03165	6.4
282.01855	1.2
282.12567	2.4
287.05585	9.7
287.16489	7.1
297.04150	4.5
297.15018	9.4
300.13953	1.4
315.01895	3.6
315.05130	100.0
315.16125	34.5
315.19623	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	315.0513
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.62830	0.5
54.37421	0.4
54.38667	0.4
57.27113	0.4
58.77587	0.4
65.40044	0.4
83.05166	0.5
93.03529	0.5
99.80597	0.4
123.04572	0.7
128.50484	0.4
143.07214	0.5
149.06143	0.5
153.05650	2.5
226.34959	0.5
255.06238	0.4
256.03760	0.5
272.03235	7.6
300.02759	100.0
315.05109	48.2
315.12558	2.2
315.19730	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	315.0513
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
63.02399	1.0
65.77064	0.7
83.01377	1.2
102.71809	0.7
103.65351	0.7
107.01353	5.4
124.01646	1.1
136.01753	1.0
137.63945	0.8
148.01662	1.0
149.99577	1.8
151.00381	15.1
164.01219	4.8
165.01741	0.9
167.03363	0.9
169.01521	1.0
192.00478	0.9
193.22552	0.8
216.33583	0.8
227.03506	1.8
227.85681	0.9
255.03186	1.2
271.02475	3.6
272.03296	1.7
283.02252	1.2
300.02771	100.0
315.05157	82.9
315.08551	4.0
315.12265	3.0
315.16092	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	315.0513
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
51.89493	1.2
56.12287	1.1
57.03443	7.5
58.77149	1.1
59.01393	2.8
70.82690	1.2
75.64847	1.1
80.06286	1.1
81.03446	1.8
81.06082	1.2
82.62786	1.3
83.01380	5.3
105.03435	1.6
108.65142	1.3
109.02929	6.4
114.41158	1.5
121.02881	2.3
122.06024	3.9
123.04543	2.3
123.37370	1.4
125.02430	72.7
133.02959	1.7
137.02449	33.7
143.05118	1.1
145.02943	22.4
146.03671	2.8
149.02409	13.3
153.05537	1.6
159.04489	5.8
161.02423	2.2
161.06075	11.5
169.12207	1.6
177.01930	52.1
185.06055	10.0
187.04079	9.7
191.03429	1.7
201.05574	2.9
203.07120	1.3
205.05077	2.1
225.05573	2.9
227.07216	2.3
229.05078	6.9
241.05075	2.1
247.06079	8.2
253.05045	1.5
253.18195	2.0
256.03653	2.7
269.04602	9.5
271.06119	14.6
287.02005	11.6
297.04031	13.1
315.01456	13.7
315.05090	100.0
315.13837	10.4
315.18427	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	315.0513
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.50750	0.8
59.01384	1.3
65.00314	6.5
65.66157	0.8
66.24566	0.7
78.46688	0.9
81.65450	0.9
82.29218	0.9
93.03450	1.2
97.02935	6.3
109.02928	3.7
118.75735	0.9
121.02956	37.8
139.03999	1.2
142.44864	0.9
149.02419	2.3
149.24667	0.8
149.33086	0.9
149.99615	1.7
151.00330	2.1
152.46431	1.1
165.01930	100.0
173.97102	1.0
193.01465	7.1
195.31293	1.1
228.04343	1.8
244.03696	1.6
259.06024	1.6
269.88132	1.0
272.03137	1.7
287.05563	1.3
300.02765	19.9
315.05130	91.1
315.19650	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	315.0513
Annotation	Junipegenin A
Peak:m/z	Relative Intensity
62.98679	0.7
72.40595	0.8
80.26599	0.7
125.02429	4.6
137.02429	1.4
149.02449	1.1
153.05501	1.1
161.02411	1.3
165.01907	7.8
177.01927	7.8
178.42566	0.8
185.02458	0.8
185.06024	1.3
189.01949	5.9
190.02776	1.7
201.05609	5.2
202.72034	0.9
203.03535	1.8
206.02335	0.8
211.03949	0.8
213.01848	6.0
214.02711	1.1
225.05507	3.2
227.03461	6.6
228.04324	1.4
229.05032	20.0
231.02965	8.7
241.05019	4.5
243.06680	1.5
247.06042	9.3
253.05083	1.9
256.03836	5.0
267.03116	1.1
268.03854	5.5
269.04538	39.1
271.06085	15.0
279.02863	1.5
280.03836	3.4
285.23843	0.9
295.02472	3.1
296.03259	1.6
297.04053	90.7
315.05130	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	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
108.02173	25.8
109.02946	69.8
116.93060	0.8
151.03992	0.9
152.01155	40.0
153.01936	93.5
174.52148	0.6
230.23428	0.8
315.07242	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.09397	1.0
56.58051	1.0
56.85069	1.0
61.97174	1.0
71.01374	1.0
73.66209	1.0
85.02948	1.1
101.02392	1.3
107.04992	1.1
108.02169	78.7
109.02948	64.5
109.03549	1.1
110.93330	1.1
152.01149	83.8
153.01935	88.7
154.90567	1.1
163.04025	2.2
165.01920	1.3
279.45734	1.1
315.07248	100.0
315.22375	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	315.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98602	0.4
59.96481	0.5
108.02140	0.9
109.02946	41.8
135.64346	0.4
138.85097	0.5
149.35603	0.5
152.01115	2.1
153.01930	100.0
153.05525	1.8
188.34103	0.4
198.09419	0.4
259.13571	0.5
303.38101	0.5
315.07257	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	Philenopteran
Peak:m/z	Relative Intensity
57.34925	0.9
66.59431	0.9
81.03468	12.2
83.01401	1.7
93.03461	5.0
95.05020	15.8
97.02946	4.7
99.04500	7.8
105.59866	0.9
119.05014	6.3
121.06613	1.0
123.04510	20.8
125.02446	25.7
135.04561	1.2
136.96834	0.9
137.06076	22.3
139.04039	4.9
142.22539	1.0
147.04524	1.2
149.02362	1.2
149.06094	1.1
149.07764	1.0
151.04039	1.1
157.20685	1.0
163.00809	1.0
165.01913	1.0
165.05588	10.6
167.03491	56.2
177.01918	1.2
181.05077	2.4
184.35158	1.0
189.05576	7.8
192.76288	1.0
209.04573	17.5
221.04543	1.5
225.63763	1.0
238.54021	1.1
266.45438	0.9
315.05298	6.1
315.08762	100.0
315.12076	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	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16110	0.4
59.01374	2.1
69.80537	0.5
74.12685	0.5
86.19464	0.4
89.02424	0.8
101.02450	0.5
117.64022	0.4
123.04512	42.4
135.04466	1.0
153.05573	100.0
189.30360	0.6
232.15108	0.5
315.10886	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	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85842	0.5
57.23995	0.5
59.01377	3.1
59.27479	0.5
70.65275	0.6
71.01392	1.3
72.48980	0.6
89.02466	0.8
101.02436	2.4
109.02906	1.0
113.47968	0.6
123.04518	49.3
135.04492	2.1
153.02065	4.5
153.05569	100.0
157.20857	0.7
213.84720	0.6
229.05006	1.4
255.02994	0.7
269.04510	3.0
276.15686	0.6
297.04074	6.4
315.04617	5.3
315.10696	9.8
315.14169	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	315.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81945	0.8
79.24315	1.0
83.22167	0.8
92.19471	0.9
121.02944	4.5
121.86913	1.1
123.04544	3.7
148.05202	1.1
149.06102	1.8
153.05573	5.4
169.63556	1.1
179.07191	1.4
210.12375	1.0
214.22310	1.1
227.07166	1.7
236.37625	1.0
237.05637	1.2
240.04317	1.6
241.05070	1.5
255.06612	22.2
259.23380	0.9
269.08206	16.4
270.09161	1.3
282.08951	1.6
283.09808	6.7
299.09198	8.3
300.10052	100.0
315.12418	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20213	0.6
57.58817	0.6
108.02119	0.9
121.02925	4.0
123.04511	1.6
124.97277	0.7
131.66713	0.7
147.04523	1.0
148.05289	0.9
149.06096	1.4
153.01930	1.0
153.05542	1.7
176.66090	0.7
179.07161	1.4
182.80118	0.6
214.81328	0.7
227.07181	0.8
238.06555	0.6
241.05022	2.8
251.59346	0.7
255.06641	20.2
256.07410	1.0
269.08209	18.1
270.09009	1.3
271.13464	0.8
283.09738	5.5
284.10394	0.8
297.11313	0.9
299.09274	7.9
300.10040	100.0
315.12402	98.0
315.15427	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	315.1241
Annotation	Monocillin II
Peak:m/z	Relative Intensity
60.83613	1.4
75.63219	1.5
78.90511	1.8
87.04525	46.3
91.09581	1.5
98.41483	1.4
109.45657	1.7
113.06078	7.7
115.04055	1.5
139.04042	3.5
148.09502	1.6
149.65657	1.8
160.05304	21.7
170.91356	1.6
172.05219	2.5
173.06047	2.6
175.07632	12.1
187.07623	6.1
199.07716	3.5
201.05626	16.9
212.04799	9.3
215.07147	9.2
227.07147	8.1
229.05083	84.3
244.07414	100.0
254.09532	2.9
257.11874	2.5
269.11789	3.1
282.08926	7.0
287.12903	40.4
297.11304	3.8
300.02808	1.9
300.10059	14.0
315.05005	2.3
315.08768	3.2
315.12427	92.2
315.19705	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	315.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57562	0.5
59.01368	2.6
96.64833	0.5
97.06596	2.9
138.50751	0.6
173.09709	3.9
194.67723	0.7
216.99669	0.6
217.08754	3.5
221.64772	0.6
229.08524	0.9
257.08282	0.9
271.17047	1.3
285.11255	6.0
299.12878	2.5
300.13617	7.2
315.16080	100.0
315.19446	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	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67550	0.3
56.99485	0.3
57.56114	0.3
58.14040	0.3
59.01383	100.0
78.27673	0.3
81.03453	0.7
85.24284	0.3
92.19465	0.7
97.02966	0.4
99.04510	0.8
101.02447	0.4
105.95032	0.3
115.04004	1.3
153.05571	1.3
175.14957	0.6
181.12340	0.6
219.13968	0.4
237.14946	4.0
255.15953	2.9
274.91656	0.3
283.16968	0.7
315.19672	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32175	0.7
59.01384	100.0
73.14020	0.8
83.01397	0.9
93.61184	0.8
99.04533	1.5
112.28176	0.8
115.03989	1.2
175.49619	0.9
181.12347	1.1
237.14984	4.2
255.15941	4.5
271.20691	5.7
315.05090	1.0
315.16333	1.2
315.19446	7.3
315.25049	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	315.1968
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.79496	0.3
54.52979	0.3
72.14339	0.3
127.66541	0.3
315.19684	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	315.1968
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.41702	0.6
57.51334	0.7
59.01361	0.6
64.26052	0.5
70.32316	0.5
79.87945	0.6
92.20074	1.3
92.79424	0.7
118.23176	0.7
123.08162	10.3
131.23988	0.7
170.17447	0.6
210.88495	0.7
255.17732	0.9
269.19141	10.5
271.20715	3.3
297.23953	1.0
298.77567	0.7
315.16327	5.1
315.19672	100.0
315.25171	15.0
338.38828	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	315.1968
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.50747	0.2
92.93775	0.2
153.05637	0.3
214.09943	0.2
223.07129	0.2
243.13795	1.7
245.15392	0.3
263.71960	0.2
297.18851	0.2
315.19672	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	315.1969
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.99498	0.9
59.01387	1.1
66.40697	0.8
71.01382	5.8
80.02776	1.1
87.49905	0.9
88.28750	0.8
133.46548	1.1
137.90356	1.0
139.20583	0.9
145.61023	1.2
165.51279	1.0
201.12796	2.3
241.15779	1.2
243.17535	27.6
245.85739	1.4
271.20627	1.4
315.19675	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	315.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61074	0.7
57.96349	0.8
59.01385	100.0
59.78399	0.8
64.42481	0.8
88.34100	0.7
101.83537	0.8
121.02988	1.0
140.57738	1.0
165.01927	3.1
172.05283	1.2
182.27600	0.9
200.04796	16.5
217.08780	0.9
243.95363	0.9
255.19662	4.0
256.11053	10.6
257.94128	0.8
271.13412	36.8
271.16611	1.3
284.20029	0.7
285.18671	1.0
315.05084	4.9
315.08951	1.0
315.12308	7.7
315.16006	12.4
315.19656	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	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
59.01392	0.5
61.44369	0.3
67.91161	0.3
68.77943	0.3
70.39773	0.3
79.38170	0.3
89.72234	0.3
94.60600	0.4
123.04463	0.4
127.11276	1.7
141.12849	0.6
153.05582	1.7
169.12299	0.4
171.13914	0.7
220.47430	0.3
234.93916	0.5
240.60767	0.3
267.23218	0.8
269.24731	2.4
271.20706	0.7
297.24176	2.3
313.23929	1.6
315.19452	8.5
315.25406	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	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
58.00593	0.4
68.58818	0.4
71.50789	0.4
72.62160	0.4
89.90629	0.4
95.05020	1.8
97.39172	0.4
114.63307	0.4
127.11281	3.5
141.12846	4.1
143.10728	1.0
155.10757	1.8
171.10214	3.2
171.13901	2.5
201.11314	0.9
239.23799	0.6
278.11438	0.7
279.23300	2.9
295.22702	0.6
297.24356	14.4
313.23831	8.9
315.19531	3.3
315.25415	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	316.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14820	0.3
58.50062	0.3
62.23558	0.4
64.29547	0.3
75.18806	0.3
112.55724	0.3
124.01626	1.6
153.00671	2.1
154.01456	100.0
183.49298	0.3
267.05319	0.3
290.86819	0.3
293.93811	0.4
316.06744	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	317.0304
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.83022	0.8
59.01400	1.3
59.19359	0.7
60.40500	0.7
61.35838	0.7
61.74802	0.8
61.75123	0.9
65.00317	3.0
68.32359	0.7
68.74705	0.8
70.13462	0.7
73.67152	0.8
83.01387	5.5
85.02947	1.0
97.02957	4.8
99.00871	1.7
106.85026	0.9
107.01385	11.0
109.02962	13.9
119.61871	0.9
121.02942	1.3
123.00926	0.8
123.04512	5.6
125.02433	5.1
126.48183	0.9
133.20538	0.8
137.02448	45.3
139.04037	1.3
149.02425	10.7
151.00368	69.6
151.03978	3.4
153.01930	4.2
155.10776	35.1
163.00298	1.2
163.04105	0.9
164.01105	1.1
165.01938	7.3
166.02763	0.9
167.03502	1.9
169.01404	1.4
178.99861	41.6
179.03410	1.6
179.53685	0.9
187.03896	0.9
192.00679	3.5
193.01445	4.0
199.09792	7.1
199.13457	1.5
203.07097	3.6
205.05009	4.5
207.10428	0.9
221.08215	1.4
225.11324	5.2
229.05095	1.7
231.06586	1.6
235.33730	0.9
243.12524	1.4
247.06120	7.0
254.69189	0.9
255.13719	1.0
258.01691	1.0
271.02481	3.4
289.07129	1.9
299.05420	1.0
317.03006	100.0
317.06671	43.6
317.12457	4.1
317.16052	3.7
317.21274	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	Nanaomycin E
Peak:m/z	Relative Intensity
53.35518	0.9
72.99313	7.5
73.44786	1.0
75.39126	0.9
92.34548	0.9
135.61493	0.9
150.32793	0.9
150.73065	0.8
155.10768	1.0
159.04501	1.7
167.05025	1.1
181.06601	9.9
182.83243	1.0
193.06580	13.6
199.07605	4.9
206.04065	1.0
209.05865	1.0
211.04144	6.6
211.07654	32.8
225.05603	2.2
227.07280	1.8
237.05583	19.6
243.06615	2.3
255.06619	37.2
271.06131	43.6
273.07578	1.6
281.04593	11.0
299.05585	46.7
317.06668	100.0
317.21268	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	317.0668
Annotation	Epipadmatin
Peak:m/z	Relative Intensity
52.11843	0.7
58.44288	0.8
58.70175	0.8
59.01371	3.9
66.79226	1.0
67.01888	1.8
67.71923	1.2
68.99802	1.9
83.01385	5.8
83.05025	1.7
86.37778	1.0
95.05013	1.2
97.02956	10.0
109.02946	15.7
111.00843	1.4
111.04507	1.3
121.02941	4.7
123.04525	11.9
125.02422	9.3
129.05580	13.7
135.04553	1.4
137.02429	2.1
139.04027	1.8
149.02460	20.7
150.05602	1.8
151.00407	2.1
151.03986	5.8
153.01907	9.8
159.06711	1.1
161.02316	1.0
161.06021	1.8
163.00336	1.2
163.03958	1.0
165.01930	11.9
166.02711	4.3
167.03473	3.7
169.12340	1.1
179.03444	3.3
187.03963	1.1
188.04800	1.7
192.00703	1.3
193.01447	3.5
195.03047	1.8
201.05486	1.5
203.07100	10.2
205.05127	11.0
207.03023	1.4
227.07129	1.8
229.05046	5.6
230.05792	1.3
231.06616	3.3
245.08148	4.5
247.06096	14.0
273.04099	4.8
273.07611	1.5
289.07111	3.5
299.02246	1.1
299.10376	6.1
317.03436	3.7
317.06662	100.0
317.10928	4.5
317.21402	47.8
321.03745	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	317.0668
Annotation	Bolusanthin
Peak:m/z	Relative Intensity
52.72884	0.6
57.64045	0.6
59.01369	0.9
61.24045	0.6
67.01859	0.7
68.99812	2.5
69.38916	0.6
71.28140	0.5
81.03477	0.7
83.01393	4.6
83.58877	0.7
84.88249	0.6
85.02975	0.9
92.20099	1.5
95.05047	0.8
97.02954	7.7
109.02946	11.7
111.00906	1.7
121.02943	2.7
123.04515	11.3
125.02417	5.5
125.75212	0.8
131.20087	0.8
135.04459	0.8
137.02484	2.6
137.09743	5.8
138.03175	0.9
139.04037	3.3
149.02440	18.4
150.70279	0.7
151.00360	4.3
151.04010	6.0
153.01941	6.7
155.10782	100.0
161.02441	0.9
161.06070	1.2
163.00333	1.0
165.01923	9.9
166.02682	3.5
167.03415	3.3
175.03984	1.1
178.99898	1.5
179.03505	2.9
181.12350	1.1
188.04745	1.2
192.00684	1.4
193.01396	4.3
194.02242	1.1
195.02943	3.8
199.09775	34.3
199.13467	5.1
203.07117	7.6
205.05055	9.1
207.03030	3.5
207.10239	1.2
212.04694	0.9
213.05576	1.1
225.11313	3.4
227.07271	1.4
229.05069	3.7
230.05780	0.8
231.02934	1.0
231.06651	4.9
243.12456	0.9
245.08121	4.7
247.06122	11.1
255.06708	0.9
273.07690	1.3
289.07236	3.6
317.03229	4.7
317.06683	77.8
317.12457	18.1
317.16229	5.3
317.21252	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0667
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
51.53729	0.8
56.32744	0.9
57.03447	5.6
62.23104	0.9
65.00309	5.5
83.01389	6.9
91.93312	1.2
92.20094	1.1
95.01379	1.7
97.68494	1.0
99.00881	5.0
107.01377	5.7
109.02950	1.3
119.03068	1.1
123.00878	2.2
124.01669	5.0
125.02441	100.0
137.02428	11.7
151.00374	32.6
152.01152	41.8
153.01895	2.6
155.10732	9.6
165.01804	1.3
178.99887	14.6
180.00673	5.2
181.12325	1.9
184.64407	1.0
188.04796	2.1
192.04289	1.8
199.09775	4.2
199.13437	5.5
202.06367	1.5
207.06694	9.0
207.10257	2.3
214.06352	1.8
215.03532	1.6
216.04285	4.6
225.11246	11.2
230.05824	5.3
231.06673	5.2
240.04335	1.5
243.12326	6.9
258.05319	4.9
273.07761	6.6
274.04840	6.8
284.03189	1.3
289.07196	54.6
299.05545	1.3
317.02994	27.6
317.06662	72.2
317.10370	12.1
317.15994	8.0
317.21182	13.6
320.98526	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	317.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48471	0.7
57.00132	0.7
58.81535	0.7
59.01380	1.5
71.01378	1.3
89.02454	0.8
92.19429	0.8
109.02930	1.2
111.04507	3.7
128.03528	0.9
131.16034	0.8
139.00401	11.8
140.01161	68.3
151.23573	0.7
153.01936	1.2
153.18529	0.7
154.02719	5.1
155.03499	100.0
317.08905	17.0
317.21194	18.9
336.35162	0.8
336.39444	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	317.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48471	0.7
57.00132	0.7
58.81535	0.7
59.01380	1.5
71.01378	1.3
89.02454	0.8
92.19429	0.8
109.02930	1.2
111.04507	3.7
128.03528	0.9
131.16034	0.8
139.00401	11.8
140.01161	68.3
151.23573	0.7
153.01936	1.2
153.18529	0.7
154.02719	5.1
155.03499	100.0
317.08905	17.0
317.21194	18.9
336.35162	0.8
336.39444	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	317.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
89.43454	1.6
90.09071	1.9
108.02178	26.8
109.02956	4.0
123.00903	36.6
123.04507	23.6
124.01650	16.7
136.01662	14.8
148.01604	2.3
148.87865	1.6
150.03143	1.7
153.05524	2.0
162.03197	6.5
163.03963	3.7
230.02180	8.5
245.04585	1.7
257.04489	6.4
258.01706	16.1
272.06833	16.9
273.04080	28.6
287.09244	58.1
299.09003	2.0
317.02936	9.6
317.06671	10.0
317.10300	40.3
317.13763	3.3
317.17551	5.7
317.21207	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	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13074	1.4
57.60359	1.4
61.14552	1.3
67.65704	1.6
70.90618	1.6
76.26777	1.7
92.19460	2.2
106.05933	2.7
106.06620	62.6
110.02496	2.0
119.37350	1.7
126.62250	1.4
134.06116	1.7
138.05576	10.3
140.07208	11.6
141.80211	1.5
150.05583	7.7
152.03546	16.9
163.00391	1.4
166.05080	8.0
167.05882	68.5
170.09724	2.3
186.12898	11.3
201.08066	11.2
211.13574	1.7
213.10101	1.6
215.09467	7.4
226.07413	2.5
230.11789	21.2
240.09050	6.8
255.11424	24.5
273.09738	2.3
273.12488	31.3
274.10831	6.5
299.10303	6.1
317.03403	3.1
317.11417	78.2
317.21188	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	317.1395
Annotation	Zearalenone
Peak:m/z	Relative Intensity
66.53983	0.9
68.99789	1.0
70.20201	0.9
80.93012	1.1
87.04511	37.6
100.78828	0.9
105.38619	1.0
113.06078	6.3
115.03979	1.0
119.32552	0.9
130.73117	1.0
135.12460	1.1
137.02437	2.1
139.04027	4.5
144.05768	1.2
147.65630	1.0
151.00360	2.2
151.03958	1.6
159.08136	4.0
164.01173	1.7
164.56535	1.1
171.08153	1.3
185.06044	1.4
211.07730	2.3
213.05562	6.6
217.08655	7.7
227.07153	10.1
228.07774	7.8
229.08791	5.3
231.06621	7.6
234.19286	1.0
246.08974	81.2
255.14122	1.4
269.08127	1.2
284.10504	1.7
285.04111	2.0
287.05533	1.6
289.14478	8.6
299.13080	4.0
317.03024	6.7
317.06717	6.7
317.10617	4.1
317.13965	100.0
317.17285	7.1
317.21170	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1395
Annotation	Pestalotiopsone C
Peak:m/z	Relative Intensity
64.98628	0.6
92.98536	0.5
168.55508	0.6
184.30920	0.6
215.06953	0.8
216.08006	0.8
230.09619	0.9
231.06598	2.8
232.07382	2.4
245.08247	0.5
257.08218	5.3
257.11874	9.2
258.12616	54.5
271.13425	1.1
271.89066	0.6
273.14972	100.0
290.11572	0.6
305.13895	1.2
317.10446	1.8
317.13913	27.5
317.17596	7.7
317.21225	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.197
Annotation	oscr#16
Peak:m/z	Relative Intensity
59.01383	19.6
68.70226	1.1
89.54345	1.1
127.95850	1.2
133.22581	1.2
137.02469	1.2
151.00374	5.5
195.17630	1.9
209.19106	25.8
211.17064	28.4
219.17604	4.7
237.18642	9.0
239.16423	1.7
255.19644	32.9
257.17581	79.2
281.17670	1.3
297.81924	1.2
299.18619	7.0
317.02713	5.3
317.20013	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	317.2121
Annotation	8(S)-HEPE
Peak:m/z	Relative Intensity
52.93754	0.4
60.99351	0.5
77.42533	0.4
86.71371	0.4
118.63421	0.5
201.31236	0.5
262.57855	0.5
269.19333	0.5
271.20700	7.0
279.70270	0.5
281.88364	0.4
297.83859	0.5
299.20166	10.3
301.73654	0.4
310.48688	0.5
317.21234	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	318.1346
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
50.67601	0.9
52.93681	0.8
59.01383	2.1
68.11526	0.9
71.01377	14.5
87.00872	7.2
92.19464	3.2
113.09729	1.0
114.09241	100.0
115.00350	4.0
115.07615	1.7
119.71917	1.0
131.05005	4.0
147.04501	1.5
148.49561	0.9
159.04562	2.0
191.98930	1.1
220.06110	1.4
242.91306	1.0
274.14413	1.2
318.13492	58.3
318.21402	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	318.1347
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
59.01391	3.9
63.75119	0.9
71.01379	16.6
73.02960	1.5
87.00867	7.2
114.09241	100.0
115.00357	5.4
115.07648	2.6
131.05031	5.3
153.57596	1.0
159.04585	1.1
220.06111	1.3
264.81604	1.0
302.17368	1.1
318.13495	59.4
318.21472	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	318.1347
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
58.51064	1.2
59.01374	2.2
60.40363	1.2
63.93556	1.0
71.01375	15.8
85.93184	1.2
86.60235	1.3
86.75178	1.2
87.00856	6.5
114.09241	100.0
115.00343	4.7
115.07680	1.5
131.05003	1.7
159.04576	1.3
198.87030	1.3
220.06223	1.5
260.15408	1.2
265.48553	1.4
284.32086	1.4
318.13464	47.0
318.21539	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	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93010	1.1
57.03446	7.2
71.01377	1.2
75.88177	1.4
79.62151	1.3
82.52209	1.2
83.01392	2.0
89.23019	1.2
93.03387	1.6
96.87219	1.3
106.76277	1.4
107.01411	1.6
108.02094	2.2
109.02945	10.4
111.04498	1.9
123.00860	2.5
124.01648	3.0
125.02440	93.4
125.21143	1.5
132.04520	1.3
137.02446	40.0
139.04028	8.7
146.39423	1.4
147.00897	1.8
151.00383	16.9
151.11859	1.4
152.01178	1.8
153.01970	11.8
160.01707	2.4
161.02498	1.8
163.04085	2.2
164.01144	7.4
165.01939	10.7
166.02774	1.7
167.03548	10.4
175.00352	21.3
177.01900	1.8
178.99829	10.2
179.03517	1.7
181.01309	1.5
191.03568	15.1
193.01436	100.0
195.02971	3.3
215.03557	8.2
257.04523	6.0
259.19415	1.4
272.89938	1.4
286.04684	9.9
301.03494	10.0
301.07166	16.5
319.04813	3.2
319.08231	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	319.046
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
52.89740	2.8
55.73403	2.3
57.03450	3.1
59.72846	2.5
61.22614	2.6
66.67571	2.6
90.56799	2.7
91.49597	3.0
93.03459	3.2
99.00888	18.6
103.98818	2.9
109.02935	14.5
111.00887	13.1
123.00880	15.6
125.02449	65.0
127.00356	4.4
137.02455	40.6
138.03264	20.0
139.00331	6.9
141.01958	82.6
145.02979	3.2
147.04533	5.1
149.02496	4.3
151.00391	4.5
153.01942	52.4
155.75383	3.2
163.03944	4.8
165.01945	23.8
166.02660	6.2
167.03514	6.4
177.01955	100.0
187.04030	6.1
189.01985	6.6
190.02702	5.0
191.03531	62.2
193.01395	41.3
201.05521	5.1
205.05170	5.6
211.03990	6.8
215.03413	23.8
217.01440	59.8
218.02045	3.5
219.02983	16.5
229.05142	5.7
231.02971	3.8
233.04581	35.7
239.03452	4.5
247.06168	4.4
257.04562	16.3
270.75836	3.1
275.05649	14.0
301.03546	30.9
319.04562	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
52.30952	0.2
57.03452	4.1
58.76964	0.2
59.01375	0.7
60.25081	0.3
63.68264	0.3
65.00328	0.6
73.02965	0.4
81.03450	0.4
83.01386	2.9
87.00867	0.4
88.62617	0.3
93.67478	0.3
101.02422	0.4
107.01391	2.3
109.02934	2.4
111.04495	0.7
121.02996	0.6
121.24628	0.3
123.00871	1.8
124.01629	1.2
125.02437	52.5
137.02441	5.9
139.04030	3.9
139.39439	0.3
143.07224	0.3
147.00874	2.4
149.02484	0.5
150.03288	0.5
150.99132	0.5
151.00359	12.6
152.01144	3.1
153.01923	9.5
153.09161	0.3
155.03488	1.4
157.06549	0.3
159.04495	0.7
163.00282	0.5
165.01906	10.3
166.02698	0.6
167.03494	9.3
167.04889	0.4
173.02477	0.4
173.06085	0.3
175.00359	23.3
176.01039	0.3
177.01942	0.4
177.05583	0.4
178.99863	11.5
181.01410	1.5
185.02420	1.2
185.05978	0.5
187.04071	1.8
190.02734	0.6
191.01732	0.3
191.03499	15.9
193.01421	100.0
201.05614	1.0
201.11311	3.9
205.04988	2.6
209.04463	0.7
211.03954	0.4
213.05579	1.4
214.02739	0.3
215.03491	8.4
217.01503	0.3
217.10988	0.4
229.05032	1.5
233.04578	2.5
239.03464	1.2
257.04498	6.6
260.52509	0.3
275.05707	0.3
283.02429	1.3
291.05066	0.4
301.03528	13.2
319.04581	3.3
319.14008	1.6
319.21414	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	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36092	0.8
53.03194	0.7
55.45787	1.0
57.03449	5.0
60.13586	0.7
62.00975	1.0
65.67474	0.8
69.39715	0.9
83.01373	1.3
83.44684	0.9
85.82524	1.0
100.96519	1.0
107.01378	1.4
111.04535	1.0
123.00864	1.5
124.01643	1.4
125.02435	56.9
127.75296	0.9
137.02426	5.2
139.03978	3.7
147.00923	1.5
151.00363	14.5
152.01160	3.6
153.01970	9.0
153.93088	0.9
163.04153	1.0
165.01953	9.7
167.03510	7.9
175.00359	25.9
178.99867	11.6
191.03517	14.8
193.01421	100.0
198.27185	1.0
201.05525	1.1
205.05092	1.2
208.95839	0.9
212.51225	0.9
215.03481	8.3
230.35489	0.9
233.04478	1.6
249.24632	1.0
257.04553	5.7
276.70374	1.0
291.22363	1.1
301.03500	11.7
319.04532	1.4
339.59442	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	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
59.01380	2.9
63.95140	1.8
79.85065	1.6
81.03452	3.1
81.82265	1.7
83.01373	2.8
87.00853	9.5
89.02434	3.7
92.20090	5.5
93.03440	22.0
95.05016	2.1
97.02946	3.6
102.05654	2.5
111.04533	6.3
116.49699	2.3
124.01640	11.4
125.02464	28.0
128.03505	3.4
137.02441	66.0
138.03226	48.9
139.04005	13.5
145.08710	8.2
146.04579	2.3
146.06100	2.3
151.03978	3.4
164.01172	7.1
165.01907	17.4
166.02708	58.0
167.03482	3.6
170.02301	2.4
173.04509	13.3
173.05949	2.9
177.01872	2.5
179.03468	9.6
181.05008	8.0
189.48608	1.9
191.05661	4.1
203.03497	4.3
217.05035	11.1
218.05934	15.7
220.03888	6.1
235.06024	3.0
236.06842	9.6
260.06891	15.3
275.09167	8.1
286.04794	2.0
298.19580	1.9
301.07065	4.3
304.05951	2.4
319.08243	100.0
319.13754	23.2
319.22015	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	319.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10147	0.9
54.88150	0.9
55.29866	0.8
59.01372	10.4
83.05001	4.4
93.03455	36.4
93.04039	1.7
97.77551	1.0
103.80843	1.2
111.04506	9.7
117.03446	2.0
119.05023	100.0
137.02449	31.0
145.02960	25.1
153.28928	1.2
155.03491	20.2
163.04013	97.5
173.04504	1.9
183.19884	1.3
269.54099	1.1
311.80942	1.3
319.08273	30.2
319.21353	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	319.0823
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01389	2.3
65.76215	1.2
68.78722	1.3
70.26558	1.0
73.02943	1.2
83.05013	6.8
93.03445	34.2
96.87777	1.1
111.04504	15.3
117.03452	2.4
119.05017	98.8
137.02446	36.2
145.02951	23.0
155.03503	17.3
163.04015	100.0
215.82069	1.1
319.04520	1.3
319.08237	38.6
319.21130	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	319.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13556	0.7
54.46945	0.7
57.03448	6.5
59.87049	0.9
81.99117	0.8
84.83575	0.9
85.65817	0.7
86.05168	0.9
93.03465	1.1
109.02936	4.3
110.15003	0.9
117.03463	1.1
121.02954	4.4
125.02441	100.0
137.02425	8.3
138.03238	1.4
139.04005	1.9
149.02478	1.0
161.02443	25.1
164.01155	25.7
165.01932	40.6
165.03308	2.0
166.02737	1.4
177.01910	3.3
181.01405	1.1
187.04012	1.1
187.07518	1.4
197.04517	14.0
197.06131	1.1
201.05557	1.0
203.03456	1.8
215.03496	1.4
232.03639	1.1
243.06396	1.0
245.04626	0.9
247.06264	1.0
257.04532	1.2
275.05621	3.2
275.09140	1.2
287.05688	8.4
301.03571	1.2
319.04523	8.2
319.08240	12.2
319.21780	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	319.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
75.45522	1.5
75.60394	1.8
81.03500	2.3
86.96456	1.6
95.05004	2.3
98.24740	1.6
104.76682	1.5
104.79565	1.6
109.02939	21.1
111.04518	52.6
122.87044	1.5
123.00874	3.5
124.01666	6.8
125.02433	35.0
127.23907	1.7
135.96613	1.5
137.02435	7.3
139.04018	100.0
151.04056	2.9
161.02469	2.2
164.01175	28.6
166.02711	2.5
167.03514	14.1
167.23067	1.6
167.79102	1.8
177.54080	2.0
178.02692	2.1
179.03499	47.4
195.06590	2.2
208.11340	1.9
268.03674	1.7
319.08234	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94531	0.7
57.03463	6.2
59.01349	0.9
67.01879	0.9
73.79839	0.8
75.27409	0.7
83.01355	1.0
86.29086	0.7
93.03408	0.9
96.95988	0.9
109.02962	7.0
121.02928	5.2
123.00852	1.2
125.02447	100.0
132.34627	0.8
133.02959	1.6
137.02434	4.3
138.03224	1.0
139.00417	1.1
139.03993	3.5
143.05008	1.3
149.02335	2.0
151.00281	1.3
153.01947	3.4
159.04515	1.5
161.02440	24.8
162.03261	1.2
163.00366	0.9
164.01146	20.6
165.01945	37.8
171.04485	3.2
175.03949	1.1
176.04832	0.8
177.01907	3.3
186.03217	1.7
187.04042	7.7
187.07585	1.0
190.02696	1.4
197.04546	11.6
198.03127	1.4
199.03987	3.3
201.05576	1.6
203.03458	4.0
213.05356	1.1
214.02715	4.6
215.03490	10.4
216.04205	1.5
217.05086	1.2
231.03072	1.4
231.06549	3.4
232.03769	1.2
233.04544	1.0
241.05067	13.3
242.02461	1.2
243.02913	7.0
244.03850	1.2
247.06218	1.9
256.07443	7.5
257.04532	3.3
260.03305	4.4
271.09799	9.5
275.05692	10.8
287.05594	7.8
319.04523	6.0
319.08215	9.2
319.11896	1.4
319.21738	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	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56823	0.7
57.03444	0.8
59.01383	11.8
71.01003	1.0
71.01381	19.7
75.00889	1.4
75.58503	0.9
79.59398	0.8
84.11812	0.7
85.02948	3.8
86.92394	0.8
87.00875	14.0
92.20065	1.0
93.03497	1.0
99.04492	3.7
101.02465	1.0
113.02436	2.0
113.06137	1.1
115.00366	74.6
115.04030	1.9
117.05565	8.7
125.02426	1.0
127.00265	1.0
151.44516	0.8
161.06845	0.9
161.08189	27.3
175.02472	100.0
190.89435	1.1
255.87944	0.8
275.07407	1.0
319.04745	1.8
319.10370	58.5
319.13675	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	34.8
60.29841	1.4
61.37908	1.9
71.01383	17.5
73.02960	2.1
75.00896	2.2
85.02953	6.5
89.02438	6.5
95.05011	18.6
101.02447	10.9
105.07088	11.1
107.05018	8.9
109.06595	14.4
111.08152	2.3
113.02435	3.9
113.06082	100.0
113.06873	3.4
121.06582	8.2
123.08160	19.2
125.02348	2.8
125.06051	3.4
127.07632	25.1
133.06613	2.5
135.08174	9.6
136.07674	2.9
136.35037	1.6
137.05092	3.4
137.06084	71.4
139.04037	4.0
149.06079	14.8
155.07140	7.0
157.03781	3.5
157.05067	93.4
167.07050	14.9
179.07123	3.3
181.05058	1.9
183.13921	1.9
197.08282	12.5
199.06116	3.0
201.11368	1.8
203.09525	2.5
205.12320	7.1
211.06148	3.1
227.12885	3.8
229.07108	14.6
245.13834	3.1
259.08179	30.7
259.23358	1.9
283.17178	3.3
289.18018	2.6
301.17950	3.0
319.10278	4.0
319.18732	13.8
319.21426	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	319.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98834	0.4
53.51054	0.3
58.37639	0.4
62.94483	0.4
63.14700	0.3
68.35916	0.4
72.33896	0.4
73.28693	0.5
77.62781	0.4
90.70293	0.4
92.20105	1.8
97.33588	0.4
114.09286	0.5
115.09625	0.4
126.90376	0.4
128.46756	0.5
153.28596	0.5
163.07619	0.5
203.10779	1.7
205.12364	2.7
215.10774	0.5
229.12343	4.5
232.11278	0.5
233.11790	0.8
240.05939	0.4
245.11848	0.9
255.13899	0.7
271.13443	0.5
289.14471	0.5
319.15524	100.0
342.76886	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	319.155
Annotation	Zearalanone
Peak:m/z	Relative Intensity
56.15960	0.3
61.67471	0.4
65.89700	0.4
84.92562	0.3
86.03601	0.4
124.51046	0.4
131.74071	0.4
151.04024	0.4
153.05611	0.5
155.77625	0.4
162.06903	0.4
164.37985	0.4
165.50461	0.4
201.12839	0.7
201.55206	0.4
203.10809	0.9
205.12314	3.5
215.10759	0.6
227.10771	0.7
229.12331	5.1
233.11766	0.5
238.08542	0.5
245.11775	0.9
255.13950	0.4
271.13428	0.6
289.14499	0.5
319.15515	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	319.155
Annotation	Zearalanone
Peak:m/z	Relative Intensity
51.25758	0.8
55.04568	0.7
58.47947	0.7
63.69087	0.8
74.69505	0.8
92.19398	0.9
111.04504	1.5
124.01665	1.8
139.00960	0.7
139.03992	5.9
152.01112	1.4
155.98480	1.0
167.03497	46.9
186.21008	0.9
221.11836	82.7
301.14417	0.9
309.96835	0.8
319.15527	100.0
319.18823	4.8
329.52191	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	319.1915
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
57.03439	1.7
59.74383	0.9
68.55862	0.8
69.91177	0.9
73.90823	0.7
74.87866	0.9
76.49380	0.9
85.02932	16.1
91.83756	0.9
92.19351	1.6
97.06558	4.0
102.64008	0.9
107.05016	1.5
111.04473	1.0
119.34583	1.0
125.02419	2.1
125.06034	3.1
139.04057	3.3
168.27043	0.9
193.01389	1.4
213.12726	1.3
221.18541	0.8
231.13843	1.4
233.15488	1.7
245.15379	1.4
247.16954	1.2
257.15717	1.1
265.15952	1.0
267.13937	8.4
283.17062	9.9
285.15097	6.9
301.18124	34.2
319.08325	2.1
319.19150	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	319.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.7
59.01385	79.1
71.01374	1.3
71.05014	0.7
83.35878	0.5
83.68035	0.6
84.15154	0.5
89.02406	0.6
97.06587	0.7
101.02412	1.0
109.06596	2.8
123.08126	1.1
127.07665	0.9
135.04453	0.6
137.06146	0.6
138.98769	0.5
139.07660	1.1
142.36818	0.6
143.10829	0.8
151.07600	0.8
155.10782	0.6
157.08678	0.9
159.10141	1.1
201.11409	1.1
209.15433	1.5
213.14053	1.3
219.14014	0.9
221.15453	7.7
235.17038	0.6
239.16620	4.5
242.13101	2.5
255.19736	2.7
257.15347	1.1
257.17603	3.2
259.04077	0.6
259.19138	7.9
265.95023	0.7
275.16608	4.0
275.20084	0.7
283.17166	0.8
301.20392	1.4
319.12286	2.0
319.16071	6.3
319.21326	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	319.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
73.02921	0.5
85.02944	4.9
86.31171	0.5
97.06593	0.9
99.00830	0.7
99.08168	0.9
99.41953	0.5
99.70412	0.5
111.08125	2.9
113.09715	2.4
125.02438	3.1
125.09760	0.7
127.07639	0.5
129.09244	4.9
139.00328	0.6
139.07649	2.9
141.01938	1.2
141.09222	4.3
143.10719	2.0
149.02463	0.9
151.00360	1.2
151.07607	2.1
153.09230	0.9
157.08691	28.6
159.10272	7.3
169.08698	0.8
171.10335	3.9
187.09773	26.1
219.03008	0.6
247.17068	0.8
250.11996	0.9
265.18054	0.6
267.13858	2.0
283.16666	3.9
285.14883	0.8
299.18854	3.9
301.03342	1.1
301.17963	6.2
301.20416	4.9
319.04599	4.1
319.21561	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	319.2278
Annotation	16R-HETE
Peak:m/z	Relative Intensity
53.98693	2.1
59.01373	4.9
74.18394	2.4
98.13059	2.7
110.77198	2.3
181.52161	2.6
198.67621	3.0
301.21689	6.1
319.22787	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	319.228
Annotation	Gibberosene C
Peak:m/z	Relative Intensity
52.53099	2.1
59.01375	5.1
65.18977	2.0
71.01358	3.5
101.14494	2.3
111.97913	2.3
112.75021	2.3
121.10203	25.2
171.08507	2.4
197.11841	31.7
203.18159	2.6
249.15012	3.4
257.22699	9.2
301.21762	56.6
319.22803	100.0
319.26376	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.7
59.01376	7.4
72.17690	1.1
97.06550	1.0
113.09715	36.6
116.10229	0.9
139.11299	9.2
149.62331	1.2
160.82977	0.9
162.26239	1.1
163.62149	1.0
165.12848	1.1
179.77466	1.0
193.12344	1.1
221.15479	3.6
247.20818	1.2
255.18604	1.0
275.23892	2.3
319.22812	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	319.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61599	1.3
57.03452	1.8
59.01369	1.8
67.33211	1.3
73.54027	1.3
94.41333	1.6
96.38004	1.7
110.49850	1.6
210.16432	1.5
211.13499	2.3
275.23785	2.9
284.78918	2.0
319.22760	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
64.11739	0.8
74.81876	0.8
75.29115	0.8
75.44292	0.7
83.05027	3.3
97.06665	1.0
97.11176	0.8
101.29491	0.8
111.27254	0.9
141.09193	1.0
149.09782	1.5
167.14401	2.0
211.13380	5.2
275.23926	1.5
301.21732	1.0
319.22800	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35971	1.1
59.01380	10.5
69.15312	0.9
71.01374	2.3
71.05019	7.1
80.96513	1.1
83.05002	2.1
94.04206	1.1
112.93790	1.0
114.88659	1.2
118.09174	1.0
143.86908	1.1
236.56268	1.4
249.18643	1.9
257.22879	2.4
261.18582	25.4
275.23886	2.1
301.21716	28.8
319.22781	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	320.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31212	0.3
59.01391	1.7
85.02953	0.3
96.44919	0.4
108.60335	0.3
116.82424	0.4
125.04034	0.4
126.93131	0.4
134.09761	24.5
190.12389	100.0
214.16026	0.5
232.17084	2.4
265.09634	0.5
276.16043	16.7
302.14063	2.0
320.15057	28.6
327.69403	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	320.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46193	0.9
63.04632	0.9
65.74602	1.0
73.84460	0.9
78.95908	8.9
96.96923	1.3
99.53062	0.9
100.93905	1.0
134.97197	1.0
135.62282	1.0
136.93990	4.3
145.35756	1.3
146.00493	1.0
178.94862	12.8
178.97762	3.1
190.98232	8.0
190.99640	1.0
192.96057	5.1
193.80450	1.0
219.94875	1.1
234.97147	79.2
236.95056	17.5
260.94977	4.0
278.96133	100.0
320.97153	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.062
Annotation	(+/-)-Altenuic acid II
Peak:m/z	Relative Intensity
50.50505	2.7
65.03931	3.0
67.84509	2.7
68.92017	3.2
69.03450	3.7
77.58444	2.9
81.03464	3.5
84.17848	3.2
95.05024	5.2
96.96015	5.2
97.02942	5.1
99.00862	7.2
99.04550	4.6
107.05058	5.6
109.02949	27.0
111.00874	4.5
123.04564	4.6
123.08151	13.2
125.02476	27.3
126.17935	3.5
131.05060	4.0
133.02933	5.0
137.02435	18.7
139.03981	7.5
145.39771	3.7
147.08174	24.4
149.06075	22.0
151.03993	3.5
161.02406	6.9
163.04056	4.1
165.09169	13.8
167.03448	35.5
169.01488	4.8
171.08163	5.7
173.06068	26.5
174.03241	4.3
177.01912	7.6
189.01944	6.8
189.05586	16.2
191.07137	21.3
203.03510	3.9
205.05003	4.9
207.03067	3.4
207.06450	4.1
215.03731	4.2
215.07143	76.0
227.03511	20.0
233.04652	4.9
233.08192	100.0
239.66463	3.5
259.06180	30.0
277.03772	7.6
277.07159	65.1
289.03439	5.8
321.02649	11.6
321.06195	55.1
321.09872	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	321.0617
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
54.20694	1.9
54.59000	1.9
56.76045	2.0
57.68157	2.1
68.86430	2.3
75.30318	2.0
87.00849	3.1
92.75895	2.7
95.01349	2.7
109.02927	12.5
111.00831	2.9
123.04543	4.0
125.02427	25.4
137.02448	14.9
139.03868	2.8
145.06531	2.9
149.02361	2.9
152.03505	10.1
153.01880	4.0
159.04532	3.6
161.02405	3.8
161.06099	4.1
163.04034	3.9
165.01868	5.6
167.03500	3.8
173.02377	4.0
173.06068	11.0
175.03983	11.1
177.01913	15.7
179.03467	4.5
189.01923	13.2
190.02715	12.5
191.03517	46.9
193.05113	3.5
198.03377	3.2
199.04019	12.7
201.01881	3.0
201.05672	3.5
203.03471	3.8
205.05009	12.2
206.02206	12.6
207.02946	10.3
215.03447	5.0
215.07130	3.8
217.05031	16.1
227.03555	36.4
227.10858	3.2
229.01314	4.9
233.04369	9.2
233.08186	9.7
234.01817	4.3
237.09000	2.7
239.10789	5.2
243.02937	3.0
245.04576	26.4
247.02470	5.7
275.13107	3.0
277.03589	9.9
277.07144	4.1
289.03589	80.5
321.02695	6.7
321.06161	100.0
321.13385	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	321.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46743	1.3
56.54736	1.5
58.02974	4.0
59.01383	14.7
71.01377	30.8
74.47128	1.5
85.02972	2.8
88.04029	29.4
89.02469	3.3
97.06577	13.3
101.02447	8.0
113.02446	4.3
114.01897	5.9
114.16106	1.7
115.00365	46.5
130.05125	3.3
132.03059	17.2
141.05569	2.7
144.04555	71.0
146.02475	10.2
146.12059	1.7
148.04109	2.1
160.04095	3.0
162.05583	4.3
169.04158	3.1
174.04121	14.7
187.05156	49.7
199.99176	2.0
205.06302	2.3
215.08270	4.0
222.80785	1.8
241.06200	8.8
255.86113	1.9
259.07297	32.2
303.06213	17.7
311.18265	1.8
321.07266	100.0
321.11844	25.3
334.05759	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	321.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23006	1.4
51.07024	1.4
59.01375	2.1
69.03445	2.7
80.64526	1.4
84.00929	2.1
85.02964	1.7
87.04517	39.8
92.19395	1.4
97.02955	3.1
97.06573	3.5
101.74736	1.8
112.04027	2.4
113.02466	7.3
114.05602	9.2
115.03973	13.5
131.35716	1.4
136.07680	27.2
140.03522	2.0
141.01944	60.5
159.06644	19.0
161.07224	18.4
162.04370	2.5
162.05606	41.4
163.08810	2.2
164.07207	3.0
164.38275	1.6
176.07172	2.2
176.10779	2.8
179.08284	55.0
179.09882	2.2
180.06653	2.4
190.07513	42.1
191.08266	2.2
192.10292	9.0
204.10243	9.3
205.06227	10.8
218.06918	16.0
219.11343	15.8
221.09355	2.2
247.10878	100.0
281.55603	1.5
321.10870	64.3
321.14291	2.2
321.16956	2.9
321.20511	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	321.1133
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.30806	0.5
58.14171	0.5
69.88157	0.5
72.16052	0.5
107.07816	0.5
112.20406	0.4
133.70778	0.5
164.41159	0.6
209.74855	0.6
277.05063	1.1
278.09464	3.2
291.06619	7.2
306.09000	67.6
321.11340	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57278	0.4
59.01385	1.2
65.67369	0.4
69.03454	0.6
71.01369	0.9
95.05034	0.8
97.06586	43.7
101.02435	2.9
115.07637	14.8
121.66093	0.5
136.04156	0.6
139.07654	4.9
141.05548	2.7
155.07124	2.0
159.06621	100.0
173.08151	1.1
183.06572	5.1
201.07715	7.5
220.16760	0.6
231.08661	3.3
261.09799	9.0
321.11865	3.5
321.17068	0.6
321.20587	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87394	0.8
54.24867	0.9
57.65830	1.0
59.01385	71.5
67.57783	0.9
71.01379	38.6
73.02943	5.9
83.01392	2.5
85.02946	15.5
87.00869	2.1
89.02444	36.3
92.19384	0.9
95.01380	4.7
99.00912	1.7
101.02438	27.9
113.02450	18.8
115.00281	1.4
116.33236	1.0
119.03516	11.2
143.03441	1.3
144.04550	2.1
150.05957	1.0
159.06552	1.3
161.04535	5.0
179.05679	1.3
179.35478	0.9
187.05183	1.0
217.40092	1.0
321.08057	4.1
321.11929	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	321.2436
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.57417	0.8
54.05997	0.7
54.62483	0.7
59.01383	7.3
71.01389	0.8
74.92121	0.7
75.46023	0.8
85.61690	0.7
89.85633	0.9
90.27368	0.7
92.20026	1.3
97.06573	1.2
110.44521	0.8
113.09734	7.2
127.31454	0.9
174.75269	0.8
221.15446	13.7
249.22221	1.4
277.25418	1.0
303.23380	14.3
303.68625	0.8
318.25644	0.9
321.24374	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
51.41637	1.2
59.01381	9.1
61.76492	1.3
71.01363	1.7
72.08430	1.6
78.95913	2.1
81.45811	1.7
92.20100	3.8
96.96001	1.8
112.85584	1.7
113.09711	8.2
134.72296	1.7
201.34528	1.8
221.15482	7.5
232.91879	1.7
244.11006	1.9
287.32687	2.3
301.42987	1.8
303.23322	10.5
321.24420	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	321.2437
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01368	2.2
62.07621	1.7
71.01369	2.6
78.95912	14.8
80.17852	2.2
89.25697	1.9
99.14413	2.1
101.42838	1.8
103.53745	1.8
134.11635	1.8
158.25153	1.8
190.01537	2.1
197.11842	16.9
223.03442	2.2
223.70845	2.1
303.23358	19.5
321.21173	3.7
321.24512	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	321.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78372	0.7
57.03458	1.4
59.01389	7.4
71.01374	1.8
78.95899	0.9
97.06593	0.8
99.08155	1.2
108.46788	0.9
113.09732	7.1
133.08459	0.9
221.15526	12.0
277.25366	1.0
303.23334	11.8
321.24387	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	321.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
59.25493	1.9
59.78409	1.9
59.83764	2.0
63.89386	1.8
71.01379	4.8
78.95890	2.1
96.65731	2.3
98.91979	2.1
127.39294	2.8
130.71832	2.1
183.49989	2.0
197.11836	20.7
211.41832	2.1
303.23224	23.7
321.20728	4.1
321.24390	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	322.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19189	0.9
66.23283	0.9
66.25141	0.9
70.96611	0.9
71.69902	0.9
75.59145	0.9
88.96769	0.9
95.44363	1.0
142.06458	0.9
194.87682	1.0
264.08005	4.4
279.10275	77.5
292.07339	3.6
293.08307	1.4
303.50351	1.0
307.09775	46.4
321.11331	6.2
322.12122	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	322.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69534	2.7
59.01103	3.6
59.01385	100.0
65.89054	3.2
70.88003	2.5
71.01382	43.8
78.70605	2.7
85.02945	5.5
89.02435	55.4
92.19477	3.7
101.02441	28.1
109.21400	2.8
113.02442	21.0
114.51666	2.5
119.03507	20.5
122.81516	2.5
129.18304	2.5
160.07655	3.9
283.38901	3.0
310.71320	3.5
322.12915	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.15570	0.5
58.02970	1.0
67.96412	0.5
73.37781	0.5
79.65057	0.5
110.24944	0.5
121.84145	0.5
128.10831	9.0
130.08733	100.0
162.63344	0.5
165.12837	0.9
252.46974	0.5
275.80185	0.6
322.20242	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06007	0.7
59.01394	6.7
59.01637	0.9
60.01708	0.8
62.87437	0.8
71.01388	1.3
84.76403	0.8
92.19459	1.2
113.09727	5.8
114.10063	3.9
152.73140	0.8
221.15453	4.0
222.15829	6.5
255.34337	0.9
258.11673	1.0
278.25610	1.3
279.10434	0.9
304.23654	11.3
322.12180	1.9
322.24698	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	322.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06007	0.7
59.01394	6.7
59.01637	0.9
60.01708	0.8
62.87437	0.8
71.01388	1.3
84.76403	0.8
92.19459	1.2
113.09727	5.8
114.10063	3.9
152.73140	0.8
221.15453	4.0
222.15829	6.5
255.34337	0.9
258.11673	1.0
278.25610	1.3
279.10434	0.9
304.23654	11.3
322.12180	1.9
322.24698	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	323.0927
Annotation	Moracin K
Peak:m/z	Relative Intensity
50.61409	1.0
52.27468	1.0
59.01373	2.6
65.29082	1.2
77.29768	1.2
82.85787	1.2
96.95965	1.9
103.40552	1.2
124.94070	1.7
145.52356	1.4
161.69728	1.5
195.39561	1.3
213.12804	5.8
222.75630	1.4
243.13876	7.3
248.00194	1.6
265.05063	33.6
279.62283	1.4
280.04471	2.6
280.07401	59.9
280.10980	13.6
292.16031	1.3
293.04532	14.7
307.06143	13.7
308.06937	69.8
308.10233	3.2
323.09235	100.0
323.12906	61.7
323.18527	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	323.1137
Annotation	Methyl picrotoxate
Peak:m/z	Relative Intensity
51.50504	0.9
57.03445	4.5
59.01389	13.1
60.58714	0.9
68.99813	1.2
71.01375	15.2
75.00871	32.7
85.02956	19.8
87.00876	4.3
89.02405	1.3
92.56624	1.1
95.01355	1.7
96.95993	1.1
99.00882	11.8
103.00372	1.6
107.05022	8.3
113.02448	8.0
117.01917	4.0
147.08174	51.4
153.05667	1.2
156.94360	1.0
165.09212	4.0
175.02509	2.3
203.03658	1.0
323.11392	100.0
323.14661	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	323.125
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.28390	1.0
54.06644	0.7
54.27017	0.7
59.01387	43.7
62.22367	0.7
63.14494	0.8
71.01392	6.8
72.99299	0.9
77.27582	0.8
77.83399	0.8
83.32684	0.7
89.02435	5.3
101.02419	4.3
101.85017	0.9
154.75572	0.8
160.06392	3.8
161.05843	1.1
161.07201	40.0
175.08763	42.0
189.06717	100.0
191.48988	1.0
201.10152	1.0
203.08284	35.1
217.04976	1.0
235.06056	0.9
279.05322	1.3
279.08502	1.1
300.60834	0.9
305.11426	1.9
323.08246	2.2
323.12457	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92690	0.6
64.78406	0.6
65.17081	0.6
96.96035	0.7
99.60877	0.6
104.98348	0.9
118.72965	0.7
154.12050	0.8
169.41714	0.7
265.08731	0.8
279.10211	3.1
280.11041	97.1
308.07343	1.4
308.10587	17.7
323.12885	100.0
340.26151	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	323.1289
Annotation	Ovalifoliolatin A
Peak:m/z	Relative Intensity
51.88499	0.5
56.58333	0.4
57.21704	0.4
58.68396	0.4
59.97054	0.5
77.19216	0.5
79.93589	0.5
85.34843	0.5
92.77519	0.5
123.36799	0.5
279.10275	1.2
280.11060	59.9
308.10577	15.6
323.12909	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	323.129
Annotation	Spathelia bischromene
Peak:m/z	Relative Intensity
66.54560	0.4
75.03384	0.3
92.49757	0.4
144.35930	0.4
229.95387	0.4
264.07776	0.5
265.08676	0.6
279.10242	1.6
280.11044	60.3
305.21252	2.0
308.10550	17.3
323.12894	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	323.129
Annotation	Spathelia bischromene
Peak:m/z	Relative Intensity
50.18383	0.3
53.96515	0.4
55.36343	0.4
59.31834	0.4
77.72975	0.4
92.19983	0.5
96.46165	0.4
141.27307	0.5
147.34943	0.4
172.01712	0.5
214.89090	0.4
265.08771	0.7
279.10349	1.0
280.11029	58.2
305.21158	2.2
308.10550	17.8
323.12894	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19542	0.7
56.93042	0.7
58.33797	0.6
59.01387	100.0
63.45446	0.7
71.01388	5.7
73.02955	0.9
85.02970	1.3
89.02459	1.4
90.78852	0.8
97.18238	0.6
101.02442	4.2
101.06065	1.4
113.02448	2.5
143.03435	0.8
161.04550	3.1
174.03033	0.8
183.62526	0.9
263.11298	5.9
323.13428	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92947	0.9
55.47928	1.0
59.01388	100.0
59.40871	1.1
71.01385	16.5
74.89867	1.2
89.02447	31.1
93.83035	1.2
101.02441	13.5
111.72354	1.2
113.02485	12.2
119.03509	8.9
136.49823	1.2
143.07161	2.6
177.52129	1.0
179.05591	2.7
191.44438	1.2
201.11288	1.1
222.00922	1.4
226.13422	1.3
323.13510	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Antibiotic DO 248A
Peak:m/z	Relative Intensity
53.04871	1.0
59.01383	77.9
71.01381	30.5
78.67335	1.2
85.02953	5.9
87.80479	1.2
89.02437	46.3
101.02451	25.8
113.02429	14.7
119.03499	14.1
271.58435	1.4
323.13510	100.0
336.22327	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	323.1865
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
50.91425	1.9
52.01874	2.2
53.66832	2.0
57.03460	5.8
59.01375	13.7
59.64629	2.1
62.65647	2.2
67.49689	2.4
71.05025	13.0
81.03465	6.1
83.01384	20.7
83.05039	4.0
85.02987	2.6
95.05036	35.7
97.06556	15.3
109.06545	4.1
113.06063	4.6
119.04987	3.0
121.02937	2.4
123.04507	5.9
123.08155	4.6
125.06085	3.4
125.09731	31.2
135.08136	17.5
149.09750	2.8
163.11284	11.9
165.12798	3.5
167.10805	3.4
181.12367	2.9
185.11775	26.2
191.10794	4.3
203.14435	5.2
209.11839	100.0
237.15042	5.6
243.17551	3.4
247.13373	12.6
265.14474	26.0
280.11078	42.8
287.16501	10.3
305.17661	25.7
308.10495	15.7
323.12839	89.7
323.18631	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
51.05471	0.8
51.13293	0.8
53.81138	0.7
54.26680	0.7
67.48731	0.8
69.79885	0.9
70.02452	0.9
71.13530	0.9
80.96754	0.9
95.29776	0.9
109.42993	0.9
119.48492	0.9
129.57028	1.1
149.86400	1.0
152.76689	0.9
175.63455	1.1
179.30893	1.1
199.13399	6.9
207.17671	1.1
223.17024	12.8
280.10965	6.8
289.69412	1.1
305.24899	26.1
308.10425	1.0
323.13135	8.4
323.25931	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	324.0878
Annotation	Oxohernangerine
Peak:m/z	Relative Intensity
50.84231	1.1
59.01384	4.7
69.07407	1.0
70.95133	1.1
71.01379	19.7
87.00866	15.6
115.00362	12.5
119.05064	4.7
120.04550	100.0
121.02979	1.9
131.05011	9.3
175.03949	2.2
203.03587	1.9
216.15793	1.1
233.42218	1.1
234.09146	1.9
244.64539	1.1
263.11194	1.1
281.11346	4.7
309.10971	1.3
324.08829	70.2
324.13129	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	324.0877
Annotation	Oxohernangerine
Peak:m/z	Relative Intensity
59.01380	7.7
62.41209	1.1
71.01377	20.9
87.00867	18.6
115.00368	10.2
119.05000	5.5
120.04543	100.0
131.05028	8.5
131.21169	1.5
131.65596	1.3
137.74663	1.4
147.42400	1.2
150.38705	1.5
175.04005	1.8
203.03540	2.0
218.99712	1.2
281.11389	20.6
309.07391	1.4
309.10858	6.3
324.08771	73.1
324.13184	42.4
328.58478	1.5
347.42236	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	324.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58857	1.3
59.01387	2.9
62.05938	1.9
71.01386	23.8
87.00408	1.7
87.00862	17.9
115.00351	9.5
116.58719	1.7
119.05009	3.5
120.04553	100.0
131.05016	3.7
203.03511	1.7
266.08258	1.6
281.11398	15.4
309.10812	3.5
324.08792	81.5
324.13199	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0878
Annotation	Oxohernangerine
Peak:m/z	Relative Intensity
59.01382	7.7
61.58150	1.4
71.01383	19.2
72.78604	1.4
73.96177	1.6
77.96173	1.4
78.61408	1.3
80.55415	1.5
87.00864	15.8
90.50168	1.6
90.89077	1.4
115.00343	8.5
119.05008	6.8
120.04548	100.0
131.04991	12.4
222.09088	1.8
324.08807	75.1
324.12711	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	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15632	1.7
57.03450	3.1
59.01381	10.1
71.01375	3.0
72.99306	30.4
75.00866	34.5
76.74265	1.8
85.02937	3.4
85.11136	2.0
87.00858	25.3
88.87733	2.0
89.02438	4.3
93.03449	11.1
99.00889	10.3
117.02008	2.2
117.03461	28.2
119.05001	20.4
121.44807	2.2
124.00713	10.9
129.01939	4.0
130.67464	2.3
133.02933	10.8
135.01990	3.9
135.02992	87.6
135.04556	12.2
145.02969	4.6
147.04530	18.1
149.06114	3.0
163.04016	48.6
165.05539	25.2
175.03984	21.8
177.05573	30.0
189.01935	100.0
190.02713	10.9
193.05063	14.2
195.04370	4.2
203.03484	35.1
207.03004	4.5
219.06512	2.5
221.04575	12.4
223.03958	9.1
263.05594	13.4
272.50754	2.1
289.26532	2.1
300.57800	2.0
307.04474	10.8
325.05713	19.2
325.10828	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.11932	1.8
58.00592	13.5
59.01387	23.8
68.99672	2.0
71.01376	18.9
72.99321	2.5
75.00861	3.3
77.29698	2.2
85.02946	23.7
86.77416	1.8
87.00874	8.1
89.02428	14.1
93.03445	14.6
101.02422	19.4
104.28934	2.4
107.05027	3.7
111.00854	2.8
113.02441	19.4
114.32098	2.1
117.03459	8.6
119.05024	20.0
133.02943	4.2
134.03862	1.9
135.03004	7.0
135.04541	17.8
145.02895	3.3
147.04558	16.8
147.06544	2.3
157.06554	26.0
159.04504	2.8
159.22676	1.9
160.05276	16.7
161.04716	2.6
161.06085	10.4
161.72888	2.1
163.04013	8.8
163.06128	12.1
165.05576	94.9
173.06061	25.5
175.04008	13.8
175.07686	14.0
177.05544	12.6
189.01945	25.1
189.05638	2.4
190.02731	100.0
191.03465	9.4
201.05547	13.5
203.03496	12.1
205.05028	9.7
207.83809	1.9
219.06654	9.6
233.04504	4.3
235.06155	3.2
237.07716	8.0
263.05597	66.5
307.04572	54.9
325.05798	14.1
325.11517	33.9
348.96146	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	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08556	1.2
57.13380	1.2
71.01379	16.3
81.62498	1.5
88.46786	1.5
99.59367	1.5
109.02931	3.2
114.99604	2.6
115.00363	42.8
119.05038	2.0
125.02393	1.9
133.01433	100.0
145.02910	11.3
150.03223	74.6
151.03963	1.8
153.01929	7.8
154.37753	1.6
160.32729	1.6
163.03966	2.7
165.05544	6.0
194.02211	36.2
203.07133	5.6
209.04561	81.0
214.84024	1.4
289.07178	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	325.093
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
50.40788	0.4
50.83712	0.4
53.14557	0.5
59.01381	1.2
87.00880	2.4
117.01926	0.5
117.03467	4.4
118.86921	0.5
119.05023	100.0
145.02957	57.3
155.07625	0.6
161.04517	3.3
163.04010	56.2
179.05682	3.9
181.26895	0.5
189.05528	1.0
244.14557	0.5
303.73376	0.6
319.15344	0.7
325.09372	20.7
325.13306	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	325.093
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
59.01373	0.5
59.40856	0.4
63.72466	0.4
73.38582	0.4
87.00900	3.4
95.01880	0.4
117.02039	0.5
117.03461	6.6
119.05007	7.1
125.02414	0.5
137.55670	0.5
145.02956	100.0
154.84026	0.4
161.04585	4.4
163.04008	7.8
179.05608	6.0
261.97540	0.5
325.09293	32.2
333.34427	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	325.1084
Annotation	Wakayin
Peak:m/z	Relative Intensity
50.99311	0.3
55.44830	0.3
59.01378	0.4
72.18524	0.3
81.88744	0.4
109.00251	0.4
145.02953	0.4
203.07129	0.8
208.17592	0.5
257.66379	0.5
267.06619	14.5
282.08972	17.8
282.11984	0.9
295.06271	3.8
295.13348	0.7
297.11322	9.3
297.14648	0.7
303.68448	0.4
310.08487	42.4
310.15805	1.7
325.10782	100.0
325.14444	21.6
325.18600	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	325.1082
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
59.01382	1.5
67.15099	0.8
70.01326	0.7
80.00440	0.8
85.72246	0.7
99.49033	0.7
99.70515	1.0
103.13882	0.7
106.09534	0.8
145.02994	1.4
151.38432	0.9
168.75024	0.8
172.77917	0.8
183.01257	3.7
197.02808	1.5
203.07120	1.0
267.06531	6.4
282.09070	5.4
295.06119	11.1
310.08496	100.0
325.10794	89.0
325.14487	25.6
325.18457	28.1
329.30765	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	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47045	0.4
69.47451	0.5
75.17818	0.4
79.70547	0.5
87.58141	0.5
100.23367	0.4
118.76980	0.4
120.04578	0.6
133.51923	0.5
203.07172	7.6
239.07111	0.6
281.12006	0.6
295.09946	0.8
297.14911	2.0
310.12064	1.2
325.14468	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	325.1444
Annotation	Picealactone C
Peak:m/z	Relative Intensity
56.98212	0.4
59.01376	3.0
82.72783	0.5
92.20062	0.6
104.91592	0.5
105.99464	0.5
121.73606	0.5
126.83999	0.5
145.02959	2.1
146.62955	0.5
159.18295	0.5
220.39482	0.5
223.16968	0.5
234.07239	0.5
251.16504	2.1
294.08780	0.8
295.09760	2.6
309.11371	1.2
310.12106	34.9
322.47577	0.5
325.14453	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	325.1446
Annotation	Picealactone C
Peak:m/z	Relative Intensity
58.02412	0.5
58.79432	0.6
59.03575	0.5
60.21185	0.5
62.45090	0.6
70.89442	0.7
98.84508	0.6
107.08739	0.7
126.80730	0.7
131.15132	0.7
195.09280	0.6
252.06918	0.7
264.11676	1.1
268.80411	0.6
279.13928	5.3
292.11163	4.8
293.11661	0.9
307.13422	21.7
325.14474	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	325.1658
Annotation	Naematolin G
Peak:m/z	Relative Intensity
58.57441	0.6
59.01383	100.0
66.07259	0.6
67.19892	0.5
75.36255	0.6
90.34520	0.6
92.20064	1.2
109.02950	0.9
126.82820	0.8
141.59914	0.8
203.14502	2.3
221.15402	4.3
247.13318	2.9
261.39368	0.8
265.14523	8.8
289.07220	4.1
325.16702	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	325.1658
Annotation	Naematolin G
Peak:m/z	Relative Intensity
59.01386	100.0
68.68678	0.7
69.19894	0.7
71.56963	0.8
99.63440	0.6
109.02940	1.2
118.02711	0.7
142.75740	0.8
203.14418	6.3
245.08270	0.9
247.13377	8.9
265.14429	1.5
289.07141	3.0
325.14111	3.3
325.17389	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	325.1659
Annotation	Naematolin G
Peak:m/z	Relative Intensity
55.90239	0.7
59.01385	100.0
60.16759	0.6
62.64710	0.7
68.84317	0.7
70.93777	0.8
135.36526	0.7
179.16544	0.7
195.96124	0.8
214.29382	0.9
221.15424	1.6
247.13176	0.8
265.14493	5.1
289.07053	6.1
304.68036	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	325.166
Annotation	Naematolin G
Peak:m/z	Relative Intensity
55.53306	0.5
58.96550	0.5
59.01389	100.0
59.04912	0.6
61.48963	0.5
85.00582	0.5
87.88696	0.6
92.20093	1.2
97.33401	0.7
109.99507	0.6
221.25110	0.5
265.14520	4.4
289.07248	3.7
325.16574	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	325.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69774	0.2
59.01384	0.4
73.42513	0.3
79.95754	0.3
93.41112	0.3
97.80106	0.3
119.05038	0.5
145.02948	0.5
147.94421	0.3
170.00374	0.6
183.01210	19.1
184.01991	0.5
184.80536	0.3
191.45563	0.3
197.02827	0.6
197.56660	0.3
198.03661	0.4
225.05962	0.4
307.13251	0.3
310.08456	0.5
325.14603	7.5
325.18420	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
59.01381	3.7
84.18020	1.5
87.04053	1.6
92.20124	1.7
101.09410	1.5
102.19157	1.6
103.29725	1.4
103.37363	1.6
136.05330	2.2
145.03047	1.9
167.14401	9.0
193.15988	3.3
207.17606	3.1
231.17513	1.6
240.82663	1.5
249.18608	47.1
275.16550	39.3
281.11783	1.5
281.21298	3.7
293.17599	90.8
307.19159	2.4
310.08353	1.9
310.12195	2.4
325.10663	3.8
325.14423	68.5
325.20193	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11924	0.3
59.01377	1.8
68.14658	0.4
71.01376	0.5
78.22237	0.4
83.05029	1.6
94.47475	0.4
97.06596	0.4
99.08125	0.6
108.16334	0.4
125.09714	2.4
127.07659	4.4
139.07625	0.5
145.02960	0.4
153.09236	4.1
155.10764	0.5
163.11305	0.6
165.12836	0.7
171.10283	3.1
176.66382	0.5
178.09927	0.4
181.12378	0.5
185.11838	4.7
197.11824	5.0
203.07147	0.6
209.09943	0.6
209.11836	15.7
238.12172	0.7
245.19269	0.5
254.09438	0.6
264.11411	0.5
279.13870	5.7
289.18109	2.7
292.11118	4.3
293.11627	1.8
297.11539	0.6
297.14990	0.9
306.12967	0.6
307.13492	19.1
307.19125	20.5
310.08554	2.0
310.11914	0.6
320.56305	0.5
325.11066	4.3
325.14456	100.0
325.20126	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	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
58.53068	0.4
59.01394	0.4
75.13010	0.5
77.83011	0.4
101.51635	0.5
166.32030	0.5
170.00465	0.6
183.01210	13.5
184.01982	3.1
249.22273	14.7
293.21237	10.2
307.26474	1.2
323.26077	1.1
325.14899	3.5
325.18457	100.0
325.23941	7.8
325.27429	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29882	0.8
53.72919	0.8
56.89257	0.8
59.01384	1.4
86.63768	1.0
87.00872	5.1
92.19521	1.9
94.67455	0.9
117.01964	1.5
117.03448	5.7
118.03821	7.1
119.05006	6.2
120.05379	7.6
145.02953	74.8
146.03291	100.0
161.04579	7.0
162.04903	4.1
163.03979	5.6
164.04346	6.3
179.05623	7.3
180.05927	4.5
326.09644	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	326.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97663	0.6
53.21182	0.7
59.01384	1.1
61.25533	0.7
61.43215	0.7
72.03769	0.7
75.57843	0.8
78.52396	0.8
84.08717	0.8
85.83246	0.9
87.00851	1.8
117.03432	7.0
118.03792	7.6
119.05024	8.3
120.05376	7.6
127.17126	0.8
131.20763	0.8
145.02948	81.5
146.03291	100.0
161.04543	6.7
162.04892	1.6
163.04010	5.2
164.04362	10.5
179.05553	6.1
180.05948	4.3
216.13309	0.8
326.09653	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Khrinone D
Peak:m/z	Relative Intensity
52.84803	1.2
54.70571	1.1
59.01377	10.3
71.01380	8.4
84.43117	1.3
87.00888	2.2
92.20140	4.5
109.02940	5.6
115.00365	8.4
118.12299	1.5
119.05022	2.5
121.02969	6.3
123.04505	2.7
133.01436	2.9
133.02966	6.4
134.03752	1.7
135.04530	1.7
136.01668	15.2
137.02463	12.1
137.87595	1.3
145.02946	17.9
146.03311	6.8
147.03555	6.9
149.02434	29.8
150.03233	1.6
151.04018	80.6
161.02451	27.4
163.00412	18.5
165.01942	57.8
165.05615	2.3
176.01138	15.7
177.01938	100.0
190.02785	15.4
201.16087	1.4
202.99849	7.1
204.00618	3.5
205.01418	7.4
211.06136	48.9
218.02232	10.0
241.04990	1.9
281.04700	1.7
299.05740	2.0
309.03836	6.1
327.05109	48.3
327.09836	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	327.0511
Annotation	Khrinone D
Peak:m/z	Relative Intensity
55.01528	2.0
57.13201	1.3
59.01376	2.3
62.53711	1.4
93.03455	2.8
108.50214	1.6
109.02958	8.2
121.02943	7.1
123.04543	9.2
133.02956	2.5
137.02434	8.4
139.04115	2.2
149.02443	32.4
149.35724	1.6
151.04031	12.1
152.19911	2.1
153.01918	10.9
158.01384	1.6
161.02452	33.1
163.00351	22.5
164.01257	2.0
165.01930	65.1
165.05528	4.0
173.02699	1.7
173.04533	4.1
176.01163	20.9
177.01932	100.0
189.72287	2.0
190.02711	14.8
197.06152	2.0
202.99898	10.3
204.00661	2.6
205.01460	10.2
211.06044	5.8
218.02243	9.3
281.04346	1.8
283.06180	2.0
299.05566	2.1
309.04181	3.6
327.05023	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Khrinone D
Peak:m/z	Relative Intensity
51.90970	1.3
56.44803	1.4
58.25360	1.3
65.42467	1.6
70.88282	1.4
85.73250	1.4
92.97985	1.7
103.39656	1.4
109.02946	3.8
121.02906	6.0
123.04514	2.1
132.54718	1.5
133.02925	2.2
137.02441	9.2
149.02448	24.2
151.04022	6.0
161.02443	28.2
163.00333	16.4
164.01138	2.0
164.84091	1.6
165.01929	54.8
165.05496	2.4
176.01147	18.1
177.01932	100.0
185.74098	1.6
190.02696	10.4
202.99815	7.6
204.00600	3.7
205.01433	10.8
208.76828	1.7
218.02177	8.7
237.19844	1.8
251.13988	1.7
271.60507	1.5
283.05927	1.8
309.04221	9.4
327.01483	3.1
327.05109	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0511
Annotation	Khrinone D
Peak:m/z	Relative Intensity
53.27271	1.1
59.93830	1.2
62.06347	1.1
70.65544	1.3
76.69862	1.1
86.07336	1.1
93.17959	1.3
105.10859	1.1
105.28675	1.3
109.02941	5.9
121.02920	5.1
123.04560	4.9
133.02950	7.2
137.02484	9.9
137.59987	1.4
145.03030	1.5
149.02449	29.0
151.00430	1.9
151.04007	7.5
153.01935	1.5
161.02435	35.2
163.00374	20.3
164.01129	4.7
165.00562	2.3
165.01924	62.1
165.05605	2.0
173.04607	1.6
176.01138	22.2
177.01924	100.0
179.03416	2.1
190.02718	17.0
202.99896	9.7
204.00629	3.0
205.01422	11.0
218.02188	9.7
281.04620	1.7
283.06018	2.0
309.04065	11.0
309.07278	1.5
327.05106	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Khrinone D
Peak:m/z	Relative Intensity
53.17004	1.5
59.01384	5.8
59.58765	1.2
72.90080	1.5
93.03437	2.5
109.02944	6.8
121.02956	5.5
121.06567	1.8
133.02954	9.2
137.02429	6.6
147.04489	1.7
149.02435	24.5
151.00429	1.8
151.03961	3.0
161.02441	32.7
163.00374	18.9
164.01184	3.2
165.01923	60.2
165.05569	48.3
168.98808	1.5
176.01154	15.6
177.01938	100.0
190.02719	9.6
202.99876	8.9
204.00609	2.6
205.01422	8.1
216.76172	1.4
218.02206	9.3
239.07092	1.8
283.06146	1.6
309.04068	5.7
327.05118	61.1
327.10889	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	327.0511
Annotation	Khrinone D
Peak:m/z	Relative Intensity
59.01385	7.3
69.45672	1.5
78.23909	1.8
93.03476	3.4
97.42618	1.7
109.02952	2.6
121.02935	3.1
121.06621	2.2
133.02948	8.6
135.41325	1.8
137.02444	8.3
143.54533	1.7
147.04387	1.9
149.02431	27.3
151.00311	1.9
151.04033	4.5
161.02425	35.5
163.00371	31.4
165.01936	72.6
165.05569	60.4
176.01147	22.3
177.01935	100.0
190.02737	15.2
202.99905	9.5
204.00568	3.1
205.01437	10.4
218.02248	10.2
281.04538	2.7
307.13248	2.0
309.04144	14.0
327.05124	70.0
327.10834	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	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89218	1.0
59.01382	18.6
71.01383	9.7
81.03457	2.2
87.00828	1.1
87.51162	1.1
100.92080	1.0
101.55016	1.2
115.00356	12.1
117.03443	1.5
121.02959	2.5
123.04484	1.7
133.01408	6.0
133.02956	4.9
134.03749	4.6
136.01674	19.6
137.02455	4.5
145.02931	9.9
146.03297	1.6
147.03520	2.6
149.02435	17.5
149.06075	1.9
151.04005	100.0
159.73637	1.3
160.45096	1.1
161.02438	16.8
162.04866	1.2
163.00319	12.1
164.01108	2.4
165.01921	37.0
165.05579	2.6
176.01137	11.0
177.01932	59.8
190.02672	8.0
202.99889	6.0
204.00630	1.8
205.01459	5.4
210.24625	1.2
211.06129	71.8
213.22237	1.1
218.02248	7.1
236.35764	1.1
299.05658	1.2
309.04019	2.6
327.05118	40.3
327.09583	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03435	0.4
58.35762	0.3
59.01384	10.1
69.82030	0.3
71.01379	10.3
71.01766	0.4
73.02940	2.9
73.27102	0.4
75.00856	1.4
83.01368	0.9
85.02946	5.3
87.00883	1.4
89.02439	7.8
89.16805	0.4
93.03452	100.0
95.01385	0.4
99.00873	0.7
101.02444	8.5
113.02451	3.5
113.82267	0.3
119.03499	2.4
135.04524	0.8
137.02444	8.5
147.04465	0.4
161.04544	0.8
165.01918	14.2
165.05563	0.5
165.07661	3.4
175.61963	0.4
179.05672	0.8
207.03015	2.7
214.88835	0.3
248.54256	0.3
327.06747	7.8
327.12943	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	327.0875
Annotation	Platanin 3,7-dimethyl ether
Peak:m/z	Relative Intensity
51.86720	0.7
52.90601	0.8
54.59999	0.7
57.15185	0.9
65.90504	0.9
82.13010	1.0
146.03635	1.4
165.05464	1.4
165.67500	0.9
238.06386	6.2
241.05080	4.2
251.07233	1.9
252.07840	1.5
253.05092	7.5
255.06612	2.0
256.07428	1.8
265.04932	5.1
266.05807	6.3
267.06607	4.0
269.04529	13.7
271.30084	1.1
279.06671	1.3
282.09070	7.3
283.06122	20.6
283.13254	1.8
284.06909	12.2
293.04529	2.1
294.05289	7.0
294.08884	2.1
295.06082	16.4
297.04013	13.1
297.11203	6.7
309.11285	1.4
311.05618	33.5
311.09232	1.2
312.06482	43.5
312.09970	4.6
327.08731	100.0
327.12372	18.4
327.15836	6.1
327.21732	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
50.88153	1.4
51.41813	1.3
59.01388	33.2
71.01383	16.6
85.02949	3.6
88.96648	1.6
89.02452	17.7
90.71538	1.7
92.19477	2.2
96.47133	1.5
101.02433	11.3
108.64085	1.5
113.02414	6.7
119.03500	6.2
119.04968	2.0
121.40633	1.6
124.82992	1.7
147.04529	90.9
149.02388	2.4
161.02437	3.7
163.00366	2.7
165.01920	9.7
165.05569	14.9
177.01923	17.5
186.78677	1.7
228.15895	1.7
261.39218	1.5
289.07245	7.0
327.04868	10.2
327.10898	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	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57021	1.4
52.11964	1.5
58.00595	2.2
59.01103	2.3
59.01389	55.4
71.01382	34.7
72.58700	1.6
73.02955	4.1
75.00851	2.0
75.48201	1.5
83.01364	2.9
85.02947	8.8
87.00873	10.5
89.02452	37.3
93.03454	12.8
95.01362	1.8
95.99060	1.5
101.02448	24.1
107.05050	2.4
113.02449	16.0
119.03551	14.8
119.05023	58.5
135.04541	24.7
137.06094	2.0
143.03418	2.8
146.03708	3.6
147.04521	100.0
151.08742	1.8
165.05576	55.2
179.05595	9.4
290.47141	1.7
327.10739	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01004	0.6
50.93286	0.7
59.01365	1.0
71.01393	1.4
85.02924	1.4
87.00880	5.5
92.22921	0.7
101.02463	1.2
117.03448	3.3
118.03814	0.9
119.05012	3.6
119.29007	0.9
120.05346	1.3
121.02954	3.7
145.02962	34.6
146.03279	16.7
147.03522	18.3
149.02444	69.3
150.03226	79.8
161.04625	1.1
162.04883	1.0
163.03987	4.1
164.04800	36.4
165.05573	100.0
179.05708	1.6
180.05940	1.2
181.06068	3.4
188.65474	0.8
198.39996	0.8
327.09821	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
51.89655	0.9
57.75396	1.1
58.00589	2.2
59.01377	5.8
71.01393	4.8
72.99317	1.2
73.02946	1.2
85.02966	2.2
87.00859	2.5
89.02412	1.4
93.03419	1.4
96.12735	1.1
99.95572	1.0
101.02461	1.6
107.05032	2.4
110.31804	1.2
119.05006	9.0
123.56239	1.2
134.03745	24.9
135.04532	100.0
147.04539	16.5
149.02451	4.5
150.03177	2.4
153.01970	1.2
161.04631	1.0
165.01926	1.1
165.04176	1.7
165.05576	40.8
185.07971	1.1
243.27269	1.1
297.09763	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	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49769	1.1
58.04759	1.2
64.37302	1.2
70.81131	1.3
82.05695	1.1
83.87110	1.2
101.00459	1.4
119.16872	1.4
121.02917	9.5
135.04520	6.8
140.04111	1.4
146.03734	100.0
161.06078	95.4
165.05550	5.5
166.06340	57.5
167.07137	45.1
168.41446	1.4
199.40198	1.7
254.30296	1.3
297.07574	1.5
312.10162	6.0
327.12402	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
101.02437	1.7
109.02922	3.1
131.38261	1.3
145.02911	7.3
146.03711	1.8
164.08403	7.7
165.05638	2.6
165.09192	5.5
167.07104	10.3
239.07138	2.1
243.05406	1.4
251.07132	2.6
253.05043	6.1
256.11066	22.9
259.91641	1.4
265.08688	5.2
267.06577	8.9
267.10312	2.6
279.06546	2.1
281.08105	2.0
283.09653	7.1
284.10498	16.8
295.09756	10.2
296.10559	23.6
297.11307	8.0
310.08319	5.8
311.05908	1.8
311.09262	36.3
312.10056	94.4
327.12317	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	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01381	9.6
73.10463	3.8
115.94173	4.1
136.06725	4.7
145.02959	15.8
167.07133	10.6
243.80284	4.4
253.05170	6.8
256.11002	33.1
265.08511	5.1
267.06442	6.0
268.03787	7.0
283.06070	9.9
284.10544	25.2
295.09839	9.1
296.10663	33.9
297.11444	4.9
303.71939	4.7
311.09283	36.4
312.10104	99.8
327.05084	17.3
327.08752	6.9
327.12347	100.0
327.15891	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	327.124
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
56.07177	0.8
57.44813	1.1
62.88983	0.8
101.77953	1.0
114.55733	1.0
121.02970	12.2
135.04556	7.2
146.03743	100.0
161.06081	86.1
165.05565	4.8
166.06352	51.7
167.07146	48.8
297.07742	1.3
312.09998	2.4
327.12408	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28962	1.0
56.89971	1.0
58.00601	1.1
59.01384	69.4
69.03470	2.0
71.01382	43.4
72.99339	1.5
73.02943	6.9
75.00876	21.3
83.01395	2.8
85.02944	14.7
87.00871	10.7
89.02450	55.0
93.03454	100.0
95.01392	2.0
97.02959	2.1
99.00881	2.4
101.02449	31.6
101.15076	1.1
103.97442	1.1
113.02450	21.9
115.30905	1.0
116.86629	1.1
119.03502	17.7
123.87180	1.2
125.42520	1.2
129.01920	1.2
137.02458	6.8
147.06477	1.3
165.01949	12.2
165.06396	1.6
165.07680	29.8
179.05580	9.2
207.02945	2.2
267.10880	6.2
271.81476	1.4
327.09311	38.1
327.12994	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.145
Annotation	Thymoquinol 5-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.91722	1.1
55.01878	2.8
57.49952	1.1
59.01383	27.5
61.96554	1.2
66.02496	1.1
71.01381	25.1
73.02954	11.8
83.01398	7.4
85.02941	16.0
89.02431	5.7
92.20055	2.1
95.01421	1.8
99.00874	5.4
101.02444	25.8
113.02457	10.7
124.86277	1.2
151.56335	1.3
161.04555	1.7
165.09196	79.7
239.95203	1.4
312.09988	6.1
327.14575	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	327.1451
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
59.01385	100.0
60.00995	3.0
61.52582	2.8
71.01380	97.1
72.53135	3.0
73.02941	35.2
83.01389	18.5
85.02946	48.3
87.85745	3.8
88.44479	3.5
89.02452	52.6
95.01391	7.7
99.00863	6.3
101.02438	67.6
113.02453	37.5
114.49969	3.6
115.96313	3.3
119.03490	13.7
138.10030	3.2
143.03468	3.7
146.03743	19.6
151.03990	3.6
161.04555	36.8
161.05960	11.5
165.09210	12.9
166.06320	4.1
167.07141	5.2
177.01880	6.8
179.28639	3.6
195.35388	3.5
212.33084	3.4
225.82443	3.2
256.11017	4.6
284.10507	4.3
289.07098	5.9
296.10544	4.2
311.09204	14.4
312.10077	28.1
324.43869	3.1
327.12103	27.5
327.14774	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	327.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91057	0.6
74.01130	0.7
78.10349	0.7
97.25871	0.6
118.28050	0.6
122.83827	0.7
262.84033	0.7
291.71945	0.7
297.11310	4.8
311.12927	0.8
312.13684	71.5
327.16034	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	327.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91057	0.6
74.01130	0.7
78.10349	0.7
97.25871	0.6
118.28050	0.6
122.83827	0.7
262.84033	0.7
291.71945	0.7
297.11310	4.8
311.12927	0.8
312.13684	71.5
327.16034	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90479	0.7
60.98980	0.6
91.08390	0.8
155.10823	0.9
162.23082	0.8
171.10239	2.9
200.04845	0.9
225.05486	1.5
225.19759	0.8
229.70625	0.8
244.14952	0.8
283.13419	6.8
297.11319	12.1
302.89264	0.9
312.13696	97.2
327.12799	3.4
327.16034	100.0
341.77289	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	327.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01636	0.2
56.64796	0.2
57.84763	0.2
71.05772	0.2
79.70981	0.2
97.93641	0.2
106.42874	0.2
111.83115	0.2
125.06075	0.2
187.07629	0.3
201.09261	2.4
202.09935	1.6
215.07191	0.3
229.08673	0.5
230.09476	3.2
241.08696	0.3
253.96004	0.2
269.08347	0.3
270.12512	0.2
283.13342	1.7
297.11374	0.8
299.16495	0.4
309.15253	0.3
312.13690	4.3
327.16028	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	327.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94473	0.3
73.73660	0.3
77.40716	0.3
79.68121	0.3
83.09253	0.3
129.09169	0.3
132.11047	0.3
141.98257	0.4
171.10283	0.5
201.09245	3.8
202.09979	2.4
215.07213	0.4
227.12956	0.4
230.09445	5.1
265.44800	0.3
297.11499	0.4
299.16431	1.1
303.36420	0.3
312.13654	3.7
327.16037	100.0
327.21472	3.8
335.21118	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	327.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94754	1.1
65.14203	1.2
86.78466	1.2
121.02934	2.5
187.99155	1.4
205.08720	2.5
227.07846	1.3
267.48712	1.7
281.15543	1.8
294.12863	1.6
309.14981	37.1
312.10281	2.1
312.13577	12.2
327.16031	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	327.1603
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
73.60794	0.5
113.37825	0.6
157.01366	1.1
157.97629	0.5
163.07605	0.9
185.33357	0.6
186.06844	1.2
210.06841	0.7
225.09149	0.8
238.10013	2.1
239.10629	1.1
251.07027	4.6
266.09409	2.1
268.11063	3.3
276.11667	1.9
279.10278	3.3
282.11270	0.6
283.13412	2.8
283.17017	0.5
291.14081	0.7
293.11734	2.2
294.12613	8.7
309.11581	2.8
309.14969	59.2
312.09952	0.6
327.12650	5.2
327.16019	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	327.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93876	0.4
57.91729	0.4
59.01378	0.6
61.42426	0.4
81.89336	0.5
103.17113	0.5
104.24440	0.4
140.46983	0.5
191.45572	0.5
192.63632	0.5
198.26886	0.5
203.07208	1.9
204.07837	0.6
229.08755	3.3
251.09842	0.5
266.09424	0.9
269.08136	0.8
293.11847	0.5
294.12634	6.0
297.07718	2.5
309.14978	13.1
312.10089	3.5
312.13690	1.8
327.12732	4.2
327.16043	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	327.1603
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
55.82173	0.4
57.12901	0.5
60.83387	0.4
88.89738	0.5
214.13161	0.5
219.90262	0.5
297.11359	6.0
309.15009	0.7
312.13687	100.0
327.16037	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88058	1.9
59.01382	61.3
64.37554	1.9
67.44901	2.0
71.00130	2.0
71.01360	2.6
97.02962	2.9
151.11230	2.5
165.09160	2.8
165.12804	18.6
177.22786	2.5
185.88997	2.5
187.11472	3.0
191.14383	13.5
203.14447	20.2
204.11591	3.2
205.12401	4.1
206.13106	14.2
207.13858	3.1
219.13887	13.9
221.15410	24.3
231.13918	3.0
237.15031	29.1
239.16533	27.8
249.14963	31.4
267.16028	100.0
327.15842	13.2
327.21417	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.58615	0.6
57.03450	1.5
85.02944	12.0
92.20100	1.6
97.02953	1.2
97.06576	3.6
125.09684	1.6
127.11261	1.9
137.09734	3.6
153.39401	0.8
165.12767	1.3
171.10268	29.7
177.12778	1.2
183.13936	7.0
193.12314	1.3
203.10698	0.8
209.11734	1.4
211.13399	29.3
221.11864	1.9
229.14450	14.4
239.12787	1.3
245.46498	0.8
291.19788	1.8
327.21796	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
71.03690	1.1
73.02960	1.4
83.05020	7.1
84.02133	1.1
93.08323	1.1
94.88129	1.2
113.09715	1.1
129.09218	16.2
141.09224	8.2
155.10796	8.4
157.08688	13.3
163.11308	5.3
165.12845	5.5
171.10260	10.1
181.12311	1.1
185.11853	20.7
191.10794	1.4
197.11816	19.0
209.11835	82.0
227.12955	10.8
235.20772	1.0
239.16594	1.1
291.19659	9.7
297.11163	1.9
309.20770	10.3
312.13632	15.6
327.12741	1.8
327.16135	16.4
327.21793	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	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.68516	0.5
76.68387	0.5
138.16777	0.6
146.38391	0.6
263.23734	0.6
265.25360	100.0
283.26495	2.5
303.22510	0.6
309.24374	32.7
312.10278	0.7
325.92819	0.7
327.18436	4.8
327.25415	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01368	1.9
60.99047	1.6
69.08976	1.7
72.86938	1.4
76.96830	1.4
81.02174	1.4
81.87962	1.6
85.44593	1.3
91.04007	2.9
93.54222	1.5
93.99079	1.5
108.36756	1.5
113.96584	1.4
127.47817	1.6
186.96010	1.8
235.20660	23.0
253.21716	100.0
253.24396	3.2
294.14267	2.0
327.15781	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	327.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
64.28400	0.9
78.75252	1.0
91.04002	2.2
92.19462	1.1
95.02287	1.0
226.65144	1.2
235.20650	26.9
235.22974	1.3
253.21721	100.0
327.18399	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	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.56036	1.0
59.01385	77.9
63.37930	1.0
66.57048	1.0
69.32790	1.0
85.18120	1.1
94.02200	1.3
111.51347	1.4
117.59413	1.2
182.32018	1.5
188.14050	1.4
191.61157	1.2
194.23238	1.2
321.96661	1.4
327.29089	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	328.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89939	2.4
71.01402	3.0
75.06884	2.4
87.00857	4.8
107.07057	2.5
114.44370	2.3
145.02969	8.9
146.03314	9.8
148.03851	2.4
149.02440	67.0
150.03026	95.8
151.03560	77.5
164.04776	29.0
165.05525	95.7
166.05911	100.0
328.09964	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	328.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82381	0.5
81.14771	0.5
92.20072	1.3
101.01919	0.6
105.30991	0.5
125.53790	0.6
134.70296	0.6
231.10197	0.8
240.72722	0.6
272.22046	0.5
297.11526	0.9
297.14734	0.6
298.11697	8.3
312.13647	4.6
313.14026	100.0
328.16373	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94196	1.0
59.01102	1.9
59.01382	29.9
111.31071	1.4
117.00448	6.9
126.88391	1.2
143.02042	9.1
159.01486	82.5
161.18636	1.4
170.97835	9.0
187.00993	100.0
201.02559	13.2
328.96692	1.8
329.02234	16.9
329.17596	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	329.0668
Annotation	Malvidin
Peak:m/z	Relative Intensity
51.24517	0.6
52.21751	0.6
53.34696	0.6
62.82126	0.7
161.02438	1.4
167.07181	1.5
171.83121	0.8
201.11357	5.6
221.87340	0.8
227.03464	4.2
271.02448	18.5
274.95926	0.8
285.03909	1.1
299.01990	100.0
313.03552	5.6
314.04352	39.4
329.06705	76.4
329.17529	1.8
329.23392	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
59.01388	6.0
60.89236	0.3
67.61333	0.3
71.01379	3.6
72.28992	0.3
81.03443	0.7
83.01361	0.5
85.02930	0.5
89.02447	4.0
96.16819	0.4
98.99329	0.5
101.02424	0.7
119.03488	0.5
123.04526	17.5
123.05405	0.7
125.02446	5.2
139.03970	0.4
149.02379	0.9
149.06119	0.6
151.00316	0.5
151.04033	0.5
156.43240	0.4
163.04034	0.5
164.04778	0.9
166.06291	0.5
167.03499	100.0
167.07146	13.4
177.01968	0.5
179.07172	1.4
191.03493	0.7
200.95798	0.4
209.04567	1.8
258.40088	0.4
312.81229	0.5
329.09222	0.7
329.12457	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	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21439	0.4
51.61278	0.4
59.01391	3.4
71.01390	0.5
77.67754	0.5
81.03461	3.9
82.67741	0.5
83.01398	2.8
84.80563	0.5
85.02952	0.4
89.89819	0.6
93.03454	0.9
95.05029	5.3
97.02949	1.3
99.04511	2.3
101.02461	0.9
121.03004	0.8
123.04510	12.7
125.02437	17.1
129.00786	0.6
137.02458	3.8
137.06096	13.6
139.04031	1.2
141.05580	1.3
165.05605	6.2
167.03494	57.0
167.07140	14.2
173.34261	0.7
179.03531	8.0
181.05104	3.7
191.05524	0.7
193.05067	1.2
195.52823	0.5
197.04558	3.4
209.04567	100.0
221.04544	3.5
239.05614	21.5
285.85532	0.6
311.07703	0.8
329.08728	16.7
329.12454	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	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46347	0.8
51.40350	0.8
57.03441	0.9
59.01387	10.8
68.99810	5.1
71.01389	6.4
85.02925	1.6
89.02422	4.2
92.19436	1.9
93.03441	1.1
94.73497	0.9
97.02917	0.9
109.02946	1.9
123.04501	4.1
124.01679	7.8
139.04012	24.7
139.48175	0.9
148.01657	1.2
149.02399	1.1
152.01123	5.5
161.05959	1.1
163.04005	2.3
164.03491	1.7
164.04788	3.6
165.01875	1.3
166.02682	1.5
167.03497	100.0
167.07121	36.2
167.08459	1.9
179.07129	1.7
181.05113	1.2
191.03503	5.9
284.06934	1.7
329.08936	41.1
329.17603	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03520	0.3
52.67259	0.4
73.59905	0.3
79.40859	0.3
81.03449	0.8
83.01388	0.8
90.78152	0.3
123.04517	20.1
125.02431	2.8
137.02417	0.7
139.04019	0.5
147.04662	0.4
149.02505	0.6
151.04021	0.5
163.04018	1.5
166.02719	0.7
167.03491	100.0
167.07182	1.6
180.04454	0.4
181.05046	3.9
191.03506	22.8
203.94489	0.4
209.04582	8.6
221.04506	2.9
329.08762	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	329.1033
Annotation	Bussealin E
Peak:m/z	Relative Intensity
59.01373	1.0
60.65615	0.6
65.45409	0.5
71.01418	0.5
90.68621	0.6
95.69689	0.5
152.17407	0.6
163.03998	2.3
167.03557	0.6
167.07112	3.5
183.13925	0.7
185.99342	0.6
200.08447	2.4
211.13393	5.2
229.14421	1.3
233.70288	0.7
240.07903	3.7
243.06558	3.1
243.13939	2.3
255.06662	3.2
256.03711	4.7
257.04547	4.2
267.06613	3.7
267.13898	3.4
268.07452	6.8
270.12592	0.9
271.06082	9.1
272.06866	1.4
281.08249	2.6
284.06955	1.4
285.04581	1.1
285.07730	9.8
285.10794	0.7
285.11951	0.7
285.14954	8.3
286.08554	1.0
296.06851	7.9
297.07712	19.2
299.05615	14.2
311.09161	1.0
313.07205	42.6
314.07983	59.5
329.10333	100.0
329.13870	7.7
329.17511	6.0
329.23303	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	329.1145
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01378	3.1
59.68340	1.3
82.03009	1.6
102.91331	1.4
102.92075	1.2
106.06564	1.5
121.02971	2.1
122.06102	1.9
132.04517	9.2
133.05342	13.0
134.06114	26.1
148.04033	1.4
149.01219	2.9
149.02431	86.2
160.04065	15.6
161.04816	84.7
162.05598	100.0
164.04787	14.5
165.30591	1.4
167.07112	5.3
193.03835	22.9
193.05489	2.0
213.07938	1.6
214.08603	2.0
218.85529	1.5
226.08713	1.7
241.06256	5.3
242.11952	5.4
243.11348	6.2
257.09305	11.3
268.09683	1.9
269.09265	7.9
285.12442	56.5
289.34845	1.4
311.10355	8.1
314.11719	12.2
329.11365	90.2
329.14310	26.0
349.30057	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99949	0.4
52.10533	0.4
56.59420	0.4
59.01377	1.7
71.01389	0.9
74.78362	0.4
81.31279	0.4
82.13946	0.4
89.02460	0.9
90.49441	0.4
90.75510	0.5
122.03751	3.3
135.97469	0.5
152.01089	0.7
164.04738	0.5
167.03519	3.7
167.07138	100.0
209.04579	1.9
329.08890	1.5
329.12476	5.6
341.03006	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	329.1244
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.06980	0.9
53.07986	1.1
58.63670	1.1
59.01387	100.0
64.38432	1.1
67.11724	1.2
68.16212	1.2
71.01383	48.5
75.24616	1.2
85.02946	7.3
89.02444	66.0
95.01382	3.0
101.02446	27.9
113.02444	26.4
117.45862	1.3
119.03506	26.9
122.03696	6.3
123.04528	26.8
134.03746	15.5
134.72144	1.6
136.33331	1.3
138.50798	1.5
143.03452	2.1
149.02396	2.9
149.06071	32.8
161.04530	5.0
167.03488	5.4
167.07126	1.7
179.05605	8.2
179.06972	1.9
329.08786	14.1
329.12482	12.0
329.17300	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73177	1.9
51.81367	1.8
55.86759	2.2
59.01387	100.0
60.19017	1.8
68.82659	2.2
71.01384	54.4
85.02956	5.5
88.06212	2.3
89.02444	77.0
92.20094	6.8
101.02428	3.9
103.32881	2.3
103.68243	2.2
109.12543	2.8
113.02434	4.5
131.03529	4.0
134.03748	3.2
149.04562	5.4
149.06067	2.6
152.96417	2.4
164.04822	48.4
167.07109	4.1
179.07137	57.8
182.05872	5.6
197.08183	5.4
329.12463	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	329.1245
Annotation	erythro-1'-(4-Hydroxyphenyl)propane-1',2'-diol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01380	0.4
60.38018	0.2
71.01379	0.3
95.25016	0.3
107.93282	0.3
109.25752	0.3
122.03750	3.1
137.06094	0.9
167.07135	100.0
209.04630	2.2
270.27655	0.2
322.85257	0.3
329.12415	3.6
343.30661	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	329.1395
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.01377	2.7
62.08203	0.6
70.31598	0.6
72.99303	1.0
90.97939	0.7
98.50464	0.6
121.02950	5.3
123.04520	0.9
149.02437	100.0
164.04785	15.8
167.07126	7.9
192.00552	0.7
269.08307	1.1
270.09000	1.2
283.09836	3.6
284.80991	0.6
285.11133	0.9
314.08249	1.0
314.11642	18.4
329.10410	3.7
329.13971	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
58.69479	1.2
59.01375	5.9
65.50660	1.1
74.20030	1.1
100.13342	1.0
113.86773	1.1
137.02434	5.9
149.02432	2.3
150.03220	100.0
151.04004	1.8
153.01927	22.0
155.03514	2.8
166.02666	1.3
167.07057	2.7
174.69579	1.3
177.01909	1.9
194.02205	8.5
217.08868	1.2
311.16428	2.6
311.22238	9.3
329.13892	68.1
329.17603	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12579	0.5
78.79154	0.6
89.85387	0.6
107.80592	0.6
111.41533	0.7
112.54501	0.6
136.05310	1.4
172.05336	6.2
174.94022	0.7
187.07655	22.9
200.04803	14.7
214.06361	2.7
224.08301	0.9
227.07144	18.0
229.08058	0.6
237.09070	1.1
243.10242	0.7
252.11469	2.7
267.13846	2.3
270.12613	22.8
283.13489	3.0
285.14975	56.9
299.01999	0.8
311.13330	0.9
311.16580	4.6
314.04425	1.2
314.15121	2.4
329.06714	3.2
329.13916	58.6
329.17615	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	329.1398
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
56.74594	1.6
59.01372	2.6
78.63964	1.9
89.29355	2.1
114.39065	2.0
115.21003	2.1
121.02960	5.0
122.03752	4.8
147.04509	3.2
149.02438	2.7
150.03230	4.4
158.03741	7.8
159.04510	17.7
160.05295	79.0
160.62314	2.0
161.06085	22.2
163.04041	2.7
173.06107	9.8
174.06773	2.7
175.07651	56.0
176.50378	2.2
177.05589	12.0
178.06387	30.6
192.07919	3.8
201.56845	2.0
203.84155	1.9
242.09520	2.9
255.06551	2.8
257.11880	14.8
261.08447	2.2
285.11172	6.6
285.14783	3.1
299.09332	2.3
329.02972	12.3
329.06619	9.6
329.10385	11.9
329.13953	100.0
329.17444	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	329.1608
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
50.67762	0.5
50.77948	0.6
52.80641	0.5
54.25990	0.4
55.01896	0.5
55.99541	0.5
57.03443	3.7
59.01381	4.6
59.21070	0.6
59.49149	0.5
62.47107	0.5
63.72960	0.5
65.93235	0.5
71.01378	3.4
72.99316	0.8
73.02951	1.0
75.00875	38.5
83.01365	1.5
85.02445	1.2
85.02951	30.5
87.00870	1.1
88.01620	1.1
89.02435	0.6
95.01404	4.2
99.00858	2.3
112.01651	0.9
113.02443	14.7
123.33553	0.6
129.01950	1.2
139.00447	0.7
153.12859	1.0
157.01411	2.5
190.06313	0.6
197.70251	0.6
210.05496	0.6
255.03076	0.8
269.13818	0.8
285.03995	2.3
285.15198	0.9
285.18549	0.9
329.07074	1.8
329.16101	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97404	0.3
75.31311	0.3
83.07652	0.3
83.95969	0.4
84.23012	0.4
119.00065	0.4
182.32170	0.4
243.10167	0.6
296.14178	4.3
311.16513	0.7
314.15256	17.3
329.17606	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	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.81833	0.4
60.06461	0.3
65.50151	0.3
72.55415	0.3
84.21375	0.3
96.54343	0.4
195.24275	0.4
240.18329	0.4
257.11780	0.6
314.15347	0.7
329.17599	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	329.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63170	0.3
57.32337	0.3
59.59284	0.3
66.86175	0.3
90.52875	0.3
112.07898	0.3
142.88686	0.3
166.81102	0.3
175.89700	0.4
241.12468	0.4
297.14926	0.5
299.12958	0.4
311.16544	1.5
314.15237	5.3
329.17609	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74048	0.3
59.01385	0.6
73.44105	0.3
80.12905	0.3
85.11153	0.3
92.19620	0.5
117.29615	0.3
125.09718	0.5
143.48991	0.3
153.12865	1.4
157.08701	4.7
164.98454	0.3
167.46272	0.3
182.96652	0.3
230.09502	0.7
249.22169	1.2
293.21219	0.6
298.40036	0.4
299.12888	5.6
311.22244	0.7
313.14471	0.4
329.17587	100.0
329.23135	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	329.176
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.30379	1.2
54.55554	1.1
55.36507	1.0
59.01388	1.6
59.96244	1.0
60.51350	0.9
60.53796	0.9
65.12397	1.1
75.80540	1.1
89.02464	1.9
92.20130	2.2
93.45329	1.2
99.31435	1.1
102.33999	1.0
137.23192	1.0
142.12587	1.1
149.35565	1.3
226.43686	1.0
314.15158	1.5
329.17599	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	329.176
Annotation	Unknow
Peak:m/z	Relative Intensity
95.95269	0.9
107.05009	0.9
108.43744	0.9
121.06577	3.9
123.08144	6.7
143.77063	0.9
159.54790	0.9
176.69707	0.8
187.07648	16.2
188.08438	4.2
189.09222	1.1
241.12360	34.1
243.54604	0.9
244.95845	0.8
269.15417	6.0
296.14175	1.6
311.16547	100.0
329.17599	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
57.45043	0.2
57.49998	0.2
59.31215	0.2
172.40442	0.3
217.08807	0.3
231.10303	0.4
243.10243	0.5
299.12967	0.5
314.15186	1.2
329.17599	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	329.176
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
50.44448	0.9
51.04119	1.0
54.01553	1.1
59.01376	6.8
64.72183	1.2
105.08995	1.2
107.05026	2.3
123.08130	7.2
125.71299	1.3
130.06485	1.2
146.42595	1.3
150.05589	2.9
167.07101	13.3
187.07617	17.3
188.08369	2.2
189.09233	3.1
203.07108	6.5
205.08597	2.8
225.05136	1.3
241.12334	31.0
269.11856	1.3
269.15469	5.6
311.16541	100.0
329.06979	1.9
329.10815	3.2
329.13931	14.7
329.17572	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18011	0.3
60.80485	0.4
64.89146	0.3
75.88000	0.3
92.20089	0.7
119.32273	0.3
159.44476	0.4
162.23074	0.4
229.08742	0.5
243.10172	0.8
299.12711	0.5
314.15219	1.8
329.17603	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	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.00501	0.2
50.24871	0.2
52.94536	0.3
66.43463	0.3
80.25106	0.3
83.01199	0.3
87.85798	0.3
95.04153	0.3
98.25470	0.3
167.07016	0.3
209.23204	0.3
229.09026	0.3
235.31325	0.4
243.10260	1.3
265.38000	0.3
313.14349	0.4
314.15298	0.7
329.17590	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	329.2334
Annotation	Tianshic acid
Peak:m/z	Relative Intensity
54.60323	0.6
55.35488	0.5
59.01391	3.4
111.08148	0.6
113.09731	2.3
135.11813	1.0
139.07680	0.8
151.07750	0.7
153.12849	16.1
157.08698	100.0
171.10274	1.0
177.81520	0.6
187.09743	5.4
199.09807	2.8
209.28236	0.6
256.50549	0.6
275.20175	2.4
293.21204	2.2
311.22394	3.2
320.55853	0.7
329.17505	21.7
329.23349	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.42415	0.7
55.15779	0.9
56.31675	0.7
68.84003	0.7
69.15577	0.7
96.76288	1.0
99.08161	7.7
112.91154	0.8
116.30074	1.0
125.09724	0.9
127.11313	4.8
139.11284	7.4
167.14421	1.4
171.10294	20.3
183.13931	7.9
193.12349	0.9
211.13400	44.1
220.15749	0.9
229.14435	22.3
275.46225	0.9
293.21341	1.4
311.22424	0.9
329.23361	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.74370	0.8
58.13980	0.9
59.01376	4.1
67.39109	0.9
70.38136	0.9
99.08149	1.2
108.43494	1.0
121.10301	1.2
125.09711	4.4
127.11282	7.5
129.09195	1.5
139.11319	8.5
143.10797	1.0
155.10782	3.9
165.09224	1.4
171.08807	1.9
171.10272	48.7
185.11865	1.5
201.11334	37.9
241.20676	1.0
293.21344	2.2
311.22293	2.0
323.19919	1.3
329.14243	2.4
329.17581	72.5
329.23337	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	329.2334
Annotation	Tianshic acid
Peak:m/z	Relative Intensity
59.01379	4.9
67.06956	0.7
68.34186	0.6
78.63737	0.7
88.51939	0.7
111.08131	0.9
113.09685	1.3
122.49366	0.8
135.11859	1.2
153.12857	17.5
157.08690	100.0
171.10234	1.2
183.14156	0.7
187.09758	3.6
199.09691	1.5
243.10300	0.9
275.20132	1.5
293.21063	1.0
299.13004	0.7
299.16434	5.4
311.22278	4.0
329.17554	92.6
329.23325	91.8
334.91687	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	329.2336
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.02603	0.6
53.18540	0.7
53.31179	0.6
53.59012	0.7
56.96098	0.6
57.03443	0.8
59.01374	4.5
63.47450	0.7
65.78634	0.7
66.96840	0.6
86.28558	0.6
99.08142	5.0
111.42551	0.9
125.09711	1.4
127.11262	3.0
127.76051	0.8
149.02449	1.1
155.14368	1.5
165.12814	1.1
167.03539	1.1
167.07127	7.5
167.14368	0.9
171.10338	3.4
172.05298	1.2
174.44717	0.8
183.13904	9.4
193.12306	2.9
200.08464	4.4
202.95372	0.7
203.07162	2.9
205.08765	1.4
209.11838	0.9
211.13412	48.2
215.14398	0.9
218.90594	0.9
229.14433	17.5
239.14464	1.1
243.13864	4.5
257.15549	3.0
267.13867	6.0
270.12531	3.1
285.14957	18.6
293.21313	1.3
329.02969	3.1
329.06577	0.8
329.10205	2.9
329.13892	14.1
329.17520	15.2
329.23340	100.0
332.46796	0.9
353.70721	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
59.60651	0.4
99.08159	1.3
111.08156	2.5
113.09712	4.4
117.86312	0.5
125.09718	1.0
127.11281	3.2
129.09219	1.3
139.11288	2.6
141.09207	1.0
143.10780	1.2
151.07671	0.9
155.10788	2.2
157.08687	1.2
171.10275	10.1
187.09750	6.4
199.13469	1.0
201.11324	9.3
211.13506	4.8
227.12793	0.7
229.14490	1.1
293.21219	1.1
311.16614	6.5
311.22183	5.6
327.21732	1.2
329.17636	19.1
329.23355	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	330.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47343	0.3
62.66780	0.3
86.47959	0.3
88.35678	0.3
89.90625	0.3
134.61594	0.3
137.02493	0.5
138.03223	1.4
167.02217	3.3
168.03023	100.0
198.49068	0.4
248.88295	0.3
330.08347	22.0
330.12366	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	330.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	67.6
61.84372	1.2
63.26372	1.4
66.18584	1.5
71.01376	30.3
85.02940	6.9
89.02434	42.8
101.02441	20.0
104.52689	1.7
113.02436	18.9
115.15965	1.5
119.03494	13.5
138.01953	1.7
149.62558	1.5
151.02763	1.9
152.03540	11.7
166.01428	2.6
168.03030	48.2
168.07480	1.8
170.64525	1.5
179.05635	2.1
192.03055	2.3
210.04033	6.0
222.04153	3.4
270.06161	1.5
272.41278	1.5
280.03964	1.6
307.34546	1.4
330.08319	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	330.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59396	1.4
63.49048	1.1
66.62556	1.2
81.03471	2.3
82.03799	1.3
83.01397	1.6
95.05008	6.1
123.04501	8.5
124.04858	9.0
125.02453	13.6
126.02789	8.1
136.64563	1.5
137.06096	8.9
137.08824	1.3
138.06503	9.6
142.00240	1.2
159.70938	1.5
165.05515	2.4
166.05920	3.1
167.02187	1.9
167.03503	34.6
167.07126	24.6
168.02516	2.5
168.03842	45.3
168.07494	38.0
174.54987	1.5
179.03502	2.9
180.03752	7.1
182.05344	2.9
209.04572	40.3
210.04893	100.0
222.04933	2.8
239.05576	6.5
240.05943	19.6
330.09155	23.1
330.12643	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	330.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18910	1.3
56.77895	1.1
59.01389	54.2
60.01716	7.6
60.01994	1.0
65.85678	1.0
66.94183	1.1
71.01385	21.2
72.01714	6.6
85.02932	2.4
86.03270	1.5
89.02447	25.6
90.02781	7.4
95.01374	1.6
101.02463	12.2
102.02796	4.8
113.02449	10.0
114.02814	2.2
119.03505	5.1
120.03856	1.9
122.03753	1.6
123.04514	5.4
124.04849	6.0
137.02513	1.7
152.01146	2.2
152.04825	10.0
153.01498	4.5
153.05145	13.4
161.04558	1.9
166.02748	2.6
167.03523	24.0
167.07146	8.2
168.03856	26.7
168.07462	11.3
181.05055	2.6
182.05412	5.8
202.46014	1.1
209.04524	8.5
210.04895	17.9
235.90848	1.3
260.84497	1.2
270.07040	5.0
315.06833	1.4
330.09198	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	330.1195
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.32343	1.0
59.01372	8.3
59.57555	1.0
64.10802	1.0
65.09687	1.2
65.37086	1.0
65.83591	1.0
68.99837	1.1
70.47495	1.0
71.01375	4.7
78.95896	2.6
85.02976	1.6
86.00085	2.3
87.00871	17.3
89.02434	1.7
98.62944	1.1
99.00872	1.9
101.02424	1.5
102.76949	1.0
105.80084	1.3
107.84172	1.4
112.00407	1.7
113.02454	4.4
121.05347	1.2
122.06120	24.6
134.06126	2.4
136.07675	14.7
138.01968	1.5
144.88326	1.3
150.05606	100.0
152.07184	7.6
162.05653	1.6
164.07164	2.3
168.02985	2.6
174.05547	1.8
175.06413	2.0
176.07152	8.9
184.02354	1.2
186.04005	4.6
194.08255	2.9
268.06128	1.1
268.89560	1.2
270.02560	2.0
288.87643	1.4
312.10916	39.8
312.14212	2.2
330.04776	14.2
330.12036	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0464
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
52.21413	0.8
69.64917	0.7
95.05023	0.8
109.02946	1.3
123.04498	1.3
125.02434	8.4
146.79251	0.8
151.00369	1.3
161.02480	2.9
164.01120	4.2
165.01833	1.4
167.03514	1.4
171.04533	1.6
179.03511	16.1
183.04526	1.5
187.04030	1.3
190.02776	1.0
199.04012	6.7
201.01917	1.0
214.02614	1.1
215.03514	4.7
227.03529	11.4
229.01416	1.5
242.02272	7.9
243.02997	14.4
244.03764	1.4
253.01384	1.2
255.03000	7.5
257.00940	1.0
259.02386	4.0
260.03284	3.2
270.01736	21.4
271.02496	17.6
272.03244	3.7
275.05682	10.7
285.04086	10.9
287.01932	5.0
287.05286	0.9
288.02789	5.3
299.02032	9.2
303.05142	6.0
331.04630	100.0
331.08075	4.9
331.19342	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	331.0461
Annotation	Nidifocene
Peak:m/z	Relative Intensity
59.01381	7.1
65.00321	4.0
109.02965	11.0
113.76609	1.1
114.83471	0.9
120.07281	0.9
121.02966	1.4
130.82666	0.9
137.02448	62.9
137.03506	2.2
151.00328	1.5
163.00346	1.7
164.01215	1.6
165.01930	80.3
170.02303	1.0
192.00674	1.2
193.01479	8.8
229.08618	1.1
259.02484	1.5
271.19125	4.2
272.03491	1.0
287.19925	1.1
316.02216	24.4
331.04623	100.0
331.07523	3.8
331.11804	9.7
331.15527	4.0
331.18845	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	331.0463
Annotation	Laricitrin
Peak:m/z	Relative Intensity
64.23080	0.6
68.25548	0.6
92.37981	0.6
94.91902	0.7
101.53399	0.6
149.09732	1.0
151.00296	1.1
151.88152	0.7
167.03601	0.7
169.01424	1.4
187.04126	0.9
191.03543	1.4
215.03539	3.9
220.82442	0.8
229.01361	1.6
229.05072	1.4
231.02975	3.3
241.05103	2.9
242.02168	1.3
243.02989	4.4
257.04587	9.8
258.01743	11.5
259.02493	70.4
267.02927	0.9
269.00946	4.3
269.04620	1.1
271.02475	29.1
272.03287	6.9
273.04034	7.9
284.03189	0.9
285.00793	1.5
285.04068	42.8
287.01974	4.0
287.05154	0.9
295.02463	1.3
298.01141	1.6
301.03613	3.1
305.06964	0.8
313.03598	24.3
313.06918	1.2
331.04636	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	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01386	5.4
71.01382	1.7
73.02911	0.7
78.95910	1.0
81.03432	0.9
82.97015	0.6
83.01387	4.6
85.02949	0.6
87.00878	1.2
101.02449	0.9
107.01388	4.0
108.02175	19.1
109.02949	3.6
113.02457	1.3
125.02444	57.6
138.03200	0.9
139.04013	1.4
142.64903	0.7
149.02428	0.9
150.05568	1.3
151.00374	52.4
151.04010	6.1
151.05930	1.7
152.98317	1.4
161.04561	4.3
167.03522	1.5
168.00636	9.0
168.04193	0.9
169.01425	52.4
169.05107	3.7
175.00381	7.6
193.01443	5.9
196.01538	0.8
205.01491	0.8
211.02469	1.6
271.08392	5.3
271.10956	0.7
313.11273	1.3
331.06738	100.0
346.77982	0.8
349.29370	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.93741	0.6
89.12172	0.6
100.16013	0.7
101.24166	0.7
120.11465	0.8
124.01637	6.5
125.02439	61.5
137.02461	0.7
145.03009	0.7
149.99593	17.2
151.00366	5.1
168.00642	72.5
169.01396	10.5
169.05061	3.5
193.01337	1.0
254.96939	0.6
277.89188	0.7
280.98416	0.7
313.05695	10.2
331.06735	100.0
354.61600	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	331.0825
Annotation	Kushecarpin C
Peak:m/z	Relative Intensity
73.74547	1.3
76.87157	1.2
81.03459	7.3
92.19418	1.6
107.01403	30.2
108.02171	12.6
109.02199	2.3
109.02949	65.5
109.03668	2.8
112.99960	1.2
119.55165	1.3
123.00894	3.0
125.02432	8.1
127.02149	1.3
138.65166	1.5
146.03661	1.4
149.94647	1.4
151.00371	51.0
152.01155	64.4
153.01935	100.0
179.07265	1.5
222.35072	1.2
301.07193	5.7
313.07141	6.4
320.28485	1.6
331.08273	18.9
331.15707	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	331.0827
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
52.78169	0.8
59.01379	7.3
60.04356	0.8
72.99297	6.1
83.01420	1.0
93.03452	24.2
107.04999	1.6
118.74662	1.0
119.04994	6.5
135.04530	2.2
136.05234	1.0
195.08180	8.1
197.09715	2.2
207.08151	10.2
208.06232	0.9
211.07545	1.3
213.09212	9.4
223.07626	1.5
225.09207	59.9
225.11436	2.1
239.07272	1.3
241.08714	51.1
243.10211	7.5
251.07103	4.5
265.67987	0.9
269.08215	25.6
271.15445	1.5
275.99890	0.9
285.07715	9.9
287.09244	24.0
313.07275	5.5
331.08249	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	331.1035
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
54.57484	1.6
55.81033	1.8
55.84150	1.8
57.20134	1.9
58.03337	1.7
59.01387	11.3
61.08699	1.7
63.89875	1.6
71.01357	4.0
71.81011	2.2
73.02950	4.1
74.05309	1.8
75.40640	2.0
81.03470	2.6
81.07841	1.9
83.01389	10.6
83.05018	2.8
85.02974	2.8
95.05013	3.0
99.04501	11.6
107.05032	2.6
109.02940	3.3
111.04509	3.5
125.02477	15.3
125.06039	3.0
126.74259	2.1
137.02403	3.4
141.05580	2.4
149.06097	2.3
151.03995	3.3
161.05930	2.2
167.03444	3.9
179.03433	3.7
181.05072	3.0
190.95280	2.3
191.38185	2.4
193.05051	49.6
205.07178	4.5
235.06024	3.3
289.09326	13.2
331.10596	100.0
331.17880	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	331.1036
Annotation	Koaburaside
Peak:m/z	Relative Intensity
50.31929	0.4
51.07375	0.4
51.24113	0.5
57.34733	0.4
93.02872	0.5
103.77161	0.5
124.01595	0.5
125.02472	3.9
139.04018	40.3
151.00375	4.4
151.04004	0.7
152.98341	2.0
162.42139	0.5
168.00661	3.0
168.04237	0.7
169.01506	7.1
169.05066	100.0
190.30304	0.5
197.34778	0.4
229.34721	0.5
264.20834	0.5
291.64493	0.5
295.64221	0.5
302.82394	0.5
302.86407	0.5
317.16284	0.6
331.06708	8.0
331.10403	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	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10875	1.5
51.51051	1.5
52.85158	1.9
57.03904	1.8
59.01385	100.0
63.79858	1.7
66.35375	1.6
70.15054	1.7
71.01385	50.1
73.02949	2.7
83.01353	1.9
85.02946	8.1
87.00872	9.1
89.02445	73.1
95.01370	2.9
99.00074	1.9
101.02448	31.5
107.08661	9.1
108.23410	2.0
109.02937	2.5
113.02425	20.5
118.27063	1.9
119.03497	23.5
124.07523	1.8
127.52447	2.1
131.03529	2.2
143.03516	2.3
151.03984	3.1
161.04442	3.1
166.05096	2.5
179.05707	13.2
191.82056	2.2
214.28978	2.5
242.05775	8.7
272.96024	2.3
331.04733	3.1
331.08224	13.6
331.14191	44.7
331.17981	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	331.1553
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
52.66422	0.5
78.73138	0.5
94.07642	0.5
109.02952	0.6
137.02444	0.8
165.01950	2.8
217.91290	0.6
227.07205	0.9
231.13945	1.2
232.07513	1.9
243.10249	3.0
259.17026	3.0
287.16525	3.6
298.12085	9.0
301.17990	1.0
313.14551	42.1
313.18106	6.7
331.04614	2.6
331.15466	100.0
331.19183	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01875	2.4
56.63136	0.9
57.03444	2.9
59.01384	100.0
60.32286	0.9
61.81656	1.0
66.94746	1.1
69.42642	1.0
71.01379	70.3
71.84795	1.0
72.11501	1.1
72.99296	1.7
73.02936	14.1
83.01374	2.9
85.02958	23.9
87.00863	1.9
89.02451	59.4
95.01390	7.1
97.02982	1.7
99.00887	5.0
101.02440	47.6
113.02443	36.1
119.03497	23.7
131.03519	1.5
143.03464	2.7
149.04492	1.4
159.02919	1.3
161.04550	13.3
173.04434	1.4
179.05603	6.2
331.08304	5.1
331.17545	8.4
331.55798	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	331.1764
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01887	4.1
59.01388	100.0
60.81261	2.7
65.53306	2.6
71.01387	93.1
73.02946	31.7
83.01379	16.3
85.02954	45.3
88.32835	3.2
89.02445	54.7
95.01390	5.5
99.00885	6.2
101.02451	80.9
113.02469	48.5
119.03516	14.5
119.70446	3.1
125.02433	11.6
131.20924	3.2
161.04581	42.5
195.93747	3.1
215.14467	2.9
249.58173	3.2
259.02515	6.5
271.97928	2.9
272.03235	5.2
287.01840	3.3
313.18185	3.1
331.04556	4.7
331.17932	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37459	1.0
57.42651	0.9
57.97808	1.0
59.01384	28.2
60.03790	0.8
158.26994	1.3
193.08762	2.3
206.87260	1.1
231.17610	1.2
249.18596	100.0
307.46494	1.1
313.18170	1.7
327.55807	1.1
331.18985	56.5
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
51.63686	0.4
51.78651	0.3
64.45841	0.4
67.42661	0.4
92.20029	0.6
93.48937	0.4
94.96729	0.5
106.59000	0.5
187.73682	0.5
270.16397	0.5
283.13535	0.5
285.18716	5.5
298.15747	32.7
313.18112	2.4
331.19147	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	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91454	0.3
52.41941	0.4
57.95883	0.4
68.68958	0.4
82.17999	0.5
124.29341	0.4
132.90370	0.5
151.86140	0.4
196.79416	0.4
242.18730	0.4
244.11113	0.6
259.02356	1.8
299.16458	0.6
313.18124	2.2
331.19171	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	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97208	0.3
97.20441	0.4
275.44434	0.4
299.16763	0.6
331.19165	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	331.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78836	0.4
79.95828	0.4
81.62944	0.5
81.67081	0.5
89.25068	0.6
109.30728	0.5
112.61418	0.4
124.44418	0.6
165.90025	0.6
173.83427	0.5
180.95461	0.5
214.10118	3.4
215.10826	2.0
227.10863	0.6
313.18124	100.0
331.19162	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09949	11.4
53.62094	11.7
55.65882	16.7
59.01379	20.8
60.71853	12.6
65.32533	11.0
69.90959	11.8
102.08121	14.8
121.79862	16.8
124.18157	14.8
172.82881	15.0
228.76665	17.8
258.40863	13.1
309.95905	14.1
331.19147	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	331.2492
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
59.06804	0.5
67.14531	0.5
71.55150	0.5
73.94810	0.4
125.09711	0.8
127.11298	2.4
170.52069	0.5
187.13458	0.6
239.20255	0.7
249.18413	0.8
267.19620	12.9
267.22269	0.8
285.24329	2.1
299.22348	1.9
313.17944	0.8
313.23911	1.7
329.23529	0.9
331.19272	5.4
331.24911	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	331.249
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.22701	0.6
59.01383	18.4
71.54287	0.7
127.11299	1.8
143.10791	1.0
157.12323	1.4
313.23895	8.0
329.23450	5.1
331.24921	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	331.2644
Annotation	cis-4,10,13,16-Docosatetraenoic Acid
Peak:m/z	Relative Intensity
51.35723	1.0
78.51429	0.7
80.87227	0.8
90.37804	0.7
103.92610	0.8
186.25163	0.8
197.54012	0.8
221.76956	0.8
331.26443	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	332.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14045	0.6
50.83722	0.6
53.48531	0.6
54.44117	0.6
54.98961	0.6
56.27374	0.7
57.09773	0.6
57.53893	0.6
60.07483	0.5
60.20668	0.7
97.02972	0.7
124.01633	1.7
125.02469	29.2
126.02779	24.9
132.99591	0.8
149.99594	7.0
150.99902	8.5
159.67278	0.7
168.00635	36.8
169.00983	40.3
169.04889	0.8
169.27151	0.8
170.01791	1.4
170.05411	1.1
314.05972	10.4
332.07068	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	332.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43706	0.2
59.01384	3.3
61.92537	0.2
71.01373	1.7
85.02935	0.4
89.02451	2.3
101.02448	1.3
113.02399	0.3
119.03511	0.4
124.07684	5.3
137.02544	0.3
137.04820	0.6
140.07169	0.5
141.14273	0.3
152.07170	100.0
156.63551	0.3
170.08186	0.4
171.92999	0.4
213.70491	0.3
332.07846	1.1
332.13589	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	332.1869
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
61.94169	0.4
64.11356	0.4
69.29654	0.4
72.50559	0.4
76.27980	0.4
165.47459	0.4
207.80420	0.4
246.14990	100.0
247.13411	0.8
274.40717	0.4
290.92862	0.5
295.55615	0.4
332.18704	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
109.09317	0.5
214.09915	0.5
215.10464	1.2
216.11177	0.8
314.18445	100.0
332.16022	2.2
332.19489	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34888	1.0
60.07573	1.0
60.13921	0.9
74.53164	1.0
127.59727	1.2
215.10432	1.3
254.46471	1.0
258.84286	1.1
260.13889	1.3
314.18436	100.0
325.85187	1.3
332.12329	1.8
332.15891	8.0
332.19492	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77184	0.4
63.81640	0.4
98.91136	0.4
144.17188	0.5
190.44954	0.5
203.90550	0.5
270.18924	0.6
271.16614	0.7
286.18851	4.7
298.15771	0.9
299.16098	35.5
300.70532	0.5
314.18564	3.2
318.74567	0.5
332.19501	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	333.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43973	0.9
57.03437	4.3
59.01384	2.0
62.27813	0.9
63.02394	1.3
65.00329	4.9
67.01895	1.1
71.01378	1.0
73.02943	66.4
83.01374	7.5
89.02420	1.1
90.65942	1.0
93.03458	1.6
96.60537	1.0
97.06583	64.5
107.01368	6.4
107.05022	1.7
109.02936	5.4
111.04494	1.8
113.02470	1.0
117.01944	1.2
125.02436	33.8
127.07652	1.7
129.05577	10.7
131.05040	4.5
133.02934	1.4
135.03032	3.9
135.04510	11.5
137.02441	13.8
141.05586	49.9
146.88753	1.0
147.04477	1.2
149.06056	2.2
151.00369	21.8
151.04022	2.1
153.01852	1.1
153.09187	24.5
159.04500	5.5
161.02422	2.2
163.00436	2.5
165.01917	4.2
171.04561	1.4
171.10275	11.9
173.06068	2.6
175.04041	9.1
177.01979	4.0
177.05556	5.9
178.99857	1.6
179.03511	2.1
183.04510	4.1
187.03992	1.7
191.03516	2.1
197.08214	4.7
199.03992	6.9
201.02010	1.4
203.03503	6.1
215.03470	6.7
215.09253	52.2
217.05115	5.0
227.03488	9.2
230.01953	1.2
240.33542	1.1
243.02986	5.4
245.04503	1.8
271.02493	7.5
289.03543	100.0
333.02658	23.1
333.11938	83.1
333.19305	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	333.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	46.5
86.55807	1.1
96.96947	12.4
130.24522	1.1
152.99582	100.0
163.75450	1.1
169.10342	1.2
171.00621	11.0
195.01500	1.2
241.01181	46.5
259.02185	2.7
273.04779	10.5
302.02454	1.1
310.07581	1.3
333.05933	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	Cedrin
Peak:m/z	Relative Intensity
52.06940	2.1
56.51919	1.8
64.04526	1.9
65.39758	1.7
74.65380	1.9
109.02959	9.2
111.04523	6.8
112.25912	2.4
121.03004	2.8
124.01643	11.5
137.02461	15.0
139.04018	57.5
147.00909	9.3
149.99593	2.2
152.01149	4.2
153.01878	2.6
165.01936	100.0
166.02722	13.2
167.03500	72.8
175.00359	32.4
178.99873	16.6
186.77226	2.1
193.01421	75.5
195.02965	15.5
243.02919	3.5
277.06018	2.1
300.03012	2.3
305.06500	3.4
315.05164	54.4
333.06277	2.8
333.13538	7.1
333.17102	2.9
333.20728	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	333.0617
Annotation	Hovenitin I
Peak:m/z	Relative Intensity
54.79759	0.9
56.59580	0.8
57.03444	6.5
59.01379	1.6
60.98446	0.9
65.00337	1.3
65.75779	1.0
83.01374	4.5
87.85256	0.9
92.20050	1.6
95.01351	1.2
98.44189	1.0
107.01407	1.5
111.00850	1.1
124.01637	2.1
125.02444	100.0
130.06720	1.0
137.02412	1.3
138.03201	1.8
149.02463	1.2
151.00360	16.5
152.01140	23.8
153.01952	8.1
164.01151	2.3
165.01982	1.3
166.02684	2.3
177.35341	0.9
178.99869	13.9
179.03482	1.7
180.00610	2.1
181.01616	1.2
181.05052	4.6
190.02797	3.6
192.00661	4.5
204.04286	1.1
205.04970	1.7
207.02959	11.5
214.02679	1.9
215.12872	1.9
223.05983	1.5
229.05092	1.6
232.03670	6.7
238.55203	1.2
246.05333	1.5
247.06113	2.1
256.03775	4.5
273.17224	2.0
274.04916	1.5
289.07089	1.8
305.06726	6.9
315.05090	32.5
333.06152	44.3
333.18976	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	333.0619
Annotation	Cedrin
Peak:m/z	Relative Intensity
52.09250	0.5
54.50711	0.5
69.75682	0.6
79.22636	0.5
92.19401	1.2
93.03489	0.9
105.03437	0.7
109.02951	3.7
121.02968	2.5
123.00896	2.1
124.01621	1.2
125.02463	6.5
131.13197	0.7
137.02466	7.3
139.00380	0.8
139.04027	0.9
140.01166	38.0
149.02417	6.7
151.27972	0.6
152.01163	1.2
153.01921	3.0
155.03503	25.0
165.01857	1.2
167.03496	5.5
172.57672	0.6
177.01935	100.0
178.02747	1.3
180.00670	4.0
190.02788	0.6
191.03568	2.6
203.03534	3.3
211.03987	0.9
229.05090	1.4
246.01733	0.7
273.04086	3.1
301.03589	0.6
315.05002	0.9
333.06201	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	333.062
Annotation	Pallasiin
Peak:m/z	Relative Intensity
57.03444	2.0
57.93542	1.6
62.64552	1.5
62.74247	1.5
63.02400	1.9
65.00321	9.1
67.33079	1.6
73.63974	1.7
83.01392	12.6
93.03495	2.5
95.01377	1.8
95.86202	2.1
97.02904	2.4
107.01373	11.7
109.02945	19.8
121.02943	7.2
123.00880	2.1
123.04558	3.2
125.02431	39.6
129.07170	2.0
131.05008	2.2
135.04518	8.9
137.02467	19.5
147.04536	2.2
149.02423	8.2
149.06044	1.9
151.00377	28.5
151.04012	12.5
153.01917	2.1
157.06554	2.2
159.04501	7.1
163.00365	40.2
164.01170	3.2
165.01910	40.6
169.01535	2.1
173.06052	2.3
175.03944	11.5
176.95863	2.2
177.01918	19.0
177.05499	7.4
178.99915	2.3
179.03392	2.8
181.01439	9.6
183.04520	2.7
187.04015	2.5
189.05560	2.4
193.01489	2.3
193.04819	2.3
199.04027	3.7
201.01859	2.2
203.03482	9.8
203.07266	3.7
205.01352	4.0
205.05090	4.1
215.03496	8.9
217.05026	10.4
227.03490	10.2
228.76093	2.2
229.01385	2.5
229.05077	17.6
231.02811	3.2
243.03117	3.9
245.04509	10.0
247.06128	10.9
271.02502	4.4
271.06155	7.0
273.04059	3.4
289.03549	100.0
289.06781	6.9
315.05133	54.0
333.02478	18.9
333.06076	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.077
Annotation	Spiropreussomerin A
Peak:m/z	Relative Intensity
51.80053	0.4
59.81190	0.5
70.15576	0.5
71.12675	0.4
72.60572	0.4
127.27567	0.5
145.02945	8.7
146.03770	3.7
158.03676	0.7
159.04509	100.0
173.02412	2.6
174.03214	8.0
179.02600	0.5
259.07526	0.5
287.07001	1.7
333.07712	22.5
333.16864	0.6
333.20755	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	333.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48619	1.6
59.01388	2.9
61.84415	1.8
75.34670	1.9
78.95906	47.5
80.60616	2.0
86.71988	2.2
89.02438	4.9
94.43026	2.0
96.96939	8.9
105.17387	1.9
136.46939	1.9
146.76091	2.2
149.22083	2.1
152.99586	100.0
171.00577	13.4
241.01222	51.1
297.11920	11.9
333.05878	81.7
333.09607	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0984
Annotation	Pterolinus D
Peak:m/z	Relative Intensity
62.47423	4.2
69.49301	3.8
76.38210	4.7
87.83836	3.9
109.02968	6.9
110.62011	4.3
121.02958	7.6
123.00871	4.9
123.04483	6.4
124.01609	7.9
125.02470	9.4
137.02412	7.2
138.03227	63.4
139.04021	39.5
151.00356	9.2
151.03996	27.1
153.05574	20.9
158.36865	4.2
161.02499	16.1
163.00378	20.1
164.01166	24.1
165.01913	28.6
166.02713	43.3
167.03427	8.5
178.02699	6.4
179.03496	24.6
181.05038	16.9
201.05583	4.9
229.04988	5.0
231.03003	6.7
271.69470	4.8
273.07938	4.8
289.07065	8.3
315.05130	37.6
318.07407	5.3
333.02545	9.1
333.06088	88.8
333.09860	100.0
333.13449	13.1
333.16916	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	333.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01374	8.7
63.02420	1.4
65.00327	6.2
71.01367	2.0
72.23634	1.3
73.02946	89.3
76.53161	1.4
76.94341	1.3
81.03445	1.7
82.96102	1.2
83.01371	5.5
85.28312	1.4
90.60138	1.5
93.03444	2.1
95.05053	2.0
97.06589	91.1
101.02443	2.4
107.01379	8.5
109.02926	5.8
111.04552	1.5
117.96781	1.4
123.04546	1.5
125.02433	32.2
129.05580	10.8
135.02986	3.4
135.04503	11.7
137.02441	13.6
141.05580	66.9
147.04617	1.4
149.02431	1.7
151.00365	17.7
151.04048	1.6
153.09186	33.3
159.04576	7.4
161.02446	1.9
163.00432	1.4
165.01888	2.2
171.04559	2.7
171.10313	14.8
173.06096	1.8
175.03966	7.1
177.05591	2.6
179.03494	2.8
183.04582	2.9
185.08228	1.5
189.05534	1.8
197.08209	5.6
199.03958	3.3
203.03500	8.5
214.02676	2.6
215.03568	5.3
215.09270	67.4
217.05064	3.4
217.80043	1.3
227.03517	7.4
243.02989	7.3
245.04503	5.5
271.02499	5.8
272.67285	1.7
289.03540	85.2
312.66672	1.5
333.02844	16.4
333.11951	100.0
333.15372	5.4
333.19424	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	333.1347
Annotation	CGS 12066B
Peak:m/z	Relative Intensity
72.73071	0.6
109.02936	1.4
121.02934	0.8
123.04496	1.5
125.02525	0.7
137.02495	0.9
139.04010	1.2
149.02415	1.2
151.00359	1.3
151.04015	0.9
153.01898	1.5
161.47754	0.7
163.00415	2.8
165.01949	4.5
177.01988	1.0
185.01057	0.7
199.26768	0.6
215.07149	3.2
229.05049	1.3
240.80862	0.7
243.06519	1.2
245.08238	2.7
270.08936	1.0
273.04730	1.0
273.07712	29.8
285.07544	0.7
288.10059	93.5
289.07236	1.2
315.05060	5.1
318.11115	9.0
320.05191	0.9
320.09042	46.0
333.06729	13.1
333.13464	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	333.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44026	0.5
57.73793	0.7
59.01380	2.6
63.26700	0.6
64.67204	0.6
87.00880	1.3
99.06316	0.7
119.03393	0.7
120.04536	6.0
124.07684	1.2
135.04462	1.1
137.04822	1.1
138.05603	4.2
143.07124	1.5
148.04051	100.0
165.04320	8.3
166.05089	68.6
173.04578	0.8
289.07266	0.7
289.10788	0.9
303.13571	16.1
333.02722	1.1
333.06332	2.4
333.10645	1.5
333.14584	26.4
333.19058	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	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40949	0.9
56.99121	0.6
58.03460	0.5
59.01111	0.7
59.01387	17.5
61.91707	0.6
62.68521	0.5
71.01378	13.0
73.02945	3.4
77.73536	0.6
79.92204	0.7
83.01390	1.4
85.02951	6.0
87.00863	1.1
89.02439	6.5
90.52855	0.6
99.00880	1.0
101.02456	13.2
112.72648	0.6
113.02450	5.5
119.03471	1.6
125.02452	0.8
140.60263	0.7
148.04039	1.1
153.09254	2.6
166.05133	0.7
171.10280	28.1
215.12909	1.1
228.58810	0.6
289.03525	0.7
303.13525	0.8
315.14386	2.5
333.15582	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	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37604	0.7
59.01103	1.1
59.01383	23.9
65.00314	0.7
66.43506	0.8
68.12213	0.7
71.00134	0.7
71.01375	15.2
72.99306	0.9
73.02943	3.8
75.60976	0.9
83.01401	3.1
85.02956	4.2
89.02431	11.4
95.01359	1.1
96.24836	0.9
101.02423	10.1
109.02927	1.9
113.02458	7.0
125.02460	5.5
137.02429	9.9
151.00406	1.7
151.03955	1.4
153.09218	4.3
161.78517	1.0
163.00359	4.1
165.01953	5.2
171.10265	25.6
177.01874	1.1
179.03464	0.9
180.04320	1.1
209.08116	1.0
216.04031	0.8
224.06442	0.8
229.04947	0.9
234.71155	0.8
253.82948	0.9
289.03448	7.3
315.05252	6.2
315.14508	1.0
333.02582	1.6
333.06671	9.9
333.09460	3.8
333.15588	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	333.1708
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
54.78288	1.3
73.02943	1.1
81.03469	1.2
83.05031	4.7
84.16544	1.1
85.06559	2.0
111.08143	8.0
122.21955	1.5
125.05998	1.1
135.08186	1.2
141.05602	1.3
163.11377	1.3
169.63657	1.1
174.30453	1.1
187.11351	1.4
191.10823	17.2
205.12350	30.3
207.13820	1.3
233.15584	1.9
243.16699	6.2
247.17020	2.0
248.89546	1.1
259.13376	1.7
269.82242	1.1
271.17331	2.1
271.20639	2.0
273.14951	1.4
274.01804	1.1
274.15674	5.4
275.15662	5.1
289.10898	2.7
289.18118	100.0
333.17014	28.0
333.20639	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	7beta-Hydroxy-lathyrol
Peak:m/z	Relative Intensity
50.03259	1.7
52.26055	1.6
52.37888	1.4
59.01380	7.7
59.19368	1.3
66.18753	1.7
71.05023	5.8
81.03465	1.9
83.05037	1.9
92.19437	2.7
95.04977	1.5
96.50538	1.6
98.03744	1.9
105.19447	1.6
109.06596	11.9
111.04481	6.3
127.07606	3.1
145.06606	2.8
146.99574	1.6
246.08997	12.9
247.70819	1.5
252.40735	2.0
261.60178	1.6
271.20773	4.0
273.11154	2.0
274.11841	5.9
289.14450	13.5
311.74460	1.7
315.19672	100.0
333.13467	7.3
333.20697	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.3
74.23928	3.7
81.03451	8.6
83.05020	16.2
92.20114	7.0
95.05025	6.1
97.06538	5.0
106.04271	4.1
109.06587	4.8
123.04488	7.2
137.09683	15.9
140.27852	3.6
151.11272	5.8
217.15900	7.4
222.99301	3.9
233.11725	6.2
235.13408	100.0
265.63144	4.0
271.20685	34.3
289.21823	13.2
315.19717	77.7
333.17111	6.2
333.20718	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59558	2.7
57.03453	16.9
57.95219	3.0
59.01382	17.4
67.48355	2.7
69.03459	4.3
71.01367	6.6
77.62826	3.8
83.05018	6.3
84.02167	6.2
85.02947	3.0
95.05034	17.7
97.06585	19.5
109.06575	7.3
111.08142	6.8
121.02959	5.2
123.04508	18.4
123.08184	6.7
137.06076	3.9
155.10759	4.8
171.45297	3.1
177.12856	32.3
179.14403	11.9
179.82304	3.7
189.12958	10.0
191.14398	21.0
207.13914	72.1
217.16023	5.9
235.13387	95.1
237.14928	13.9
271.20679	21.9
289.21683	5.7
315.19666	33.1
333.16919	7.4
333.20737	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	333.2074
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
57.03461	9.6
58.83127	0.9
66.87704	1.0
69.24250	1.0
71.01377	20.1
82.08710	1.0
118.32074	1.0
163.42065	1.1
203.14423	27.8
231.17578	4.5
245.15414	5.0
261.18607	40.5
261.92563	1.2
262.80869	1.1
285.89725	1.1
310.50970	1.3
333.20755	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	334.2388
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
59.01381	1.1
60.53841	0.8
71.08878	0.7
74.32143	0.9
76.66862	0.7
83.65749	0.9
94.02964	0.9
107.50607	0.9
171.10289	7.8
183.13914	11.5
197.11891	15.0
209.15448	3.8
211.13403	1.2
219.14096	1.2
223.17052	15.7
235.17088	1.0
237.14967	10.5
249.18541	1.9
275.20276	1.5
276.19687	4.4
289.21765	1.1
290.21414	1.8
291.19778	1.7
316.19455	1.1
316.22809	1.7
334.20197	23.6
334.23880	100.0
355.47101	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	335.0515
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
59.22209	0.4
62.49359	0.5
67.25256	0.5
68.99572	7.9
76.00876	0.5
78.95894	0.5
106.73325	0.6
118.31458	0.5
161.02185	1.1
189.21889	0.5
205.15985	0.7
208.57744	0.6
223.27754	0.5
232.56128	0.5
235.77652	0.6
245.04175	0.6
265.04822	100.0
291.19714	0.6
315.04565	0.8
320.06909	8.3
335.05182	44.4
335.09216	4.0
335.18646	1.0
335.22272	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.77205	0.7
59.14743	0.6
62.90833	0.7
83.05033	1.0
85.20021	0.7
86.53028	0.7
92.19466	1.1
93.03439	11.0
99.33716	0.7
105.32552	0.8
111.04513	4.1
133.02975	3.4
133.17509	1.0
135.04529	100.0
137.02429	7.8
161.02440	25.3
173.04520	1.2
179.03497	86.7
190.09409	0.9
261.16129	1.4
335.07767	45.4
335.16394	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
56.76059	1.4
59.53842	1.3
70.63413	1.5
92.20144	1.7
93.03455	12.4
109.02935	7.7
111.04504	3.1
124.01633	2.2
125.02438	37.2
133.02991	2.0
135.04530	91.7
137.02440	44.1
139.04025	16.7
149.02422	3.5
153.05624	2.1
155.03467	2.8
161.02440	24.6
164.01115	9.9
165.01982	3.5
165.05548	2.3
173.04480	2.6
177.01923	86.1
179.03496	85.1
181.05083	3.2
183.02939	1.8
192.24387	1.6
279.40915	1.9
287.00653	1.7
301.24857	1.8
335.07776	100.0
335.11804	3.6
351.45117	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	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
56.78479	0.9
59.01388	1.0
70.71108	0.9
73.02938	1.6
93.03436	13.4
93.43719	1.3
99.04569	1.2
107.04984	1.0
111.04500	5.7
125.02417	4.5
133.02962	2.5
135.04524	100.0
137.02454	13.8
139.03992	1.5
143.30756	1.0
161.02446	29.8
173.04514	2.3
177.01909	9.8
179.03499	83.5
182.48138	1.0
193.22812	1.0
222.63960	1.1
238.22911	1.2
319.22061	1.3
324.62625	1.1
335.07736	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0777
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.43774	1.5
57.79135	1.6
65.62234	1.5
74.95873	1.7
92.20044	7.6
109.02926	9.8
124.01630	3.7
125.02438	44.5
137.02441	43.2
139.04004	22.3
149.02426	3.0
151.04045	2.3
153.05550	4.1
155.03444	3.0
164.01167	11.4
165.01952	9.6
165.05696	2.5
167.03513	3.7
177.01933	100.0
179.03476	8.1
181.05075	4.3
203.07193	2.9
209.04572	2.3
219.06664	2.0
240.31516	2.1
245.04456	2.3
248.87930	1.8
265.04828	2.0
291.04816	1.9
291.08817	1.9
317.06750	3.2
317.97232	2.2
330.69485	1.9
335.04407	4.4
335.07755	80.9
335.11356	4.3
335.18503	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	335.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66988	1.3
54.09617	1.3
58.02971	3.7
59.01392	21.6
61.53003	1.5
65.90447	1.8
67.01398	1.5
72.01520	1.6
88.76052	1.8
92.19500	2.6
100.07674	10.4
102.05614	54.5
126.05614	3.9
128.03539	100.0
144.04555	81.8
144.06604	18.7
146.02525	7.0
146.04588	28.4
146.06129	7.0
170.04549	16.3
187.05165	25.0
188.03534	9.3
188.05649	32.0
211.08650	1.8
227.08272	2.2
229.09698	1.8
255.07855	3.9
273.08856	18.3
295.56122	1.8
299.06818	3.9
317.07831	37.7
335.08887	72.0
335.12933	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	335.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.4
71.01378	4.4
82.02999	1.1
85.02952	3.4
87.00909	1.0
89.02413	1.8
93.03448	1.7
100.04030	1.1
100.07706	1.3
101.02430	4.4
102.05625	8.9
113.02454	3.0
116.05039	1.3
122.06123	1.3
128.03539	20.1
137.02434	3.2
140.74100	0.8
144.04550	100.0
145.02965	1.4
146.02560	1.1
146.04590	7.0
146.06052	1.0
148.04037	2.0
155.07159	1.0
162.05545	1.2
170.04570	1.9
173.08186	1.4
187.05128	18.1
188.03554	8.8
188.05638	5.6
188.63109	0.9
199.05185	1.0
211.08681	1.8
212.07098	1.4
216.93066	0.9
227.08102	1.0
229.09772	3.5
255.07722	10.3
265.04837	1.4
273.08844	15.9
288.39243	1.1
299.06708	5.5
299.09946	1.0
317.07867	23.3
317.11337	2.2
335.05347	2.1
335.08853	57.3
335.13284	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59878	1.1
58.63952	1.0
59.01394	7.1
63.59459	1.1
76.01975	1.3
100.07687	4.9
102.05625	17.8
128.03546	38.6
144.04552	100.0
146.02565	1.5
146.04593	9.8
170.04617	4.4
181.35271	1.2
187.05127	22.4
188.03534	8.4
188.05608	9.6
197.06360	1.3
200.64395	1.7
255.07751	10.3
273.08850	17.3
299.06824	6.0
317.07813	25.4
335.05011	2.7
335.08917	61.1
335.12939	2.7
350.84027	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	335.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.2
59.98976	0.6
67.01896	0.8
71.01382	12.4
71.15176	0.6
73.02947	0.8
81.03431	0.9
82.34813	0.9
83.01381	1.2
83.05021	7.2
85.02931	6.0
87.00854	0.8
89.02447	16.3
93.03454	88.9
99.00821	0.6
101.02439	9.0
107.05045	5.2
111.00877	10.8
111.04517	46.8
113.02464	6.8
119.03464	3.2
127.03957	0.6
135.04482	1.2
137.02446	100.0
154.99817	2.7
155.03497	47.9
173.04547	2.8
179.03471	4.9
191.05614	24.4
299.07797	2.6
317.08734	3.7
335.06247	3.2
335.09824	32.1
335.13028	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20267	1.1
59.01386	73.6
60.21980	1.0
63.67368	1.1
70.60535	1.1
71.01378	33.5
73.02937	1.5
83.01389	1.5
85.02948	3.0
89.02440	42.5
95.01401	2.1
101.02451	30.8
101.19048	1.2
102.05616	1.5
113.02460	13.5
119.03502	18.8
128.03491	1.3
137.02438	2.6
155.07109	3.0
173.08182	2.2
235.74219	1.1
335.13504	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	335.1502
Annotation	Dihydrotetrodecamycin
Peak:m/z	Relative Intensity
51.24733	0.6
53.12099	0.7
63.17570	0.8
63.53276	0.6
69.79295	0.7
73.39578	0.8
81.03456	1.7
102.90216	0.8
114.49689	0.8
205.15932	8.4
213.82854	0.9
229.15959	8.4
231.13815	1.3
245.15477	6.5
247.17043	73.3
265.04727	1.2
273.12332	1.2
273.14981	26.8
291.16034	20.2
306.17850	0.8
308.19128	1.0
335.15036	100.0
335.22000	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	335.1714
Annotation	Arphamenin B
Peak:m/z	Relative Intensity
50.48261	0.4
53.39374	0.5
57.65833	0.5
59.01381	20.2
63.14252	0.6
69.33500	0.5
71.01380	15.1
73.02944	2.5
83.01384	2.5
85.02960	4.0
87.00866	0.8
89.02450	8.0
92.19500	0.8
95.01362	0.8
96.04548	1.2
99.00872	1.0
101.02443	9.8
113.02412	5.0
119.03491	2.2
125.02420	0.9
130.39365	0.6
136.07698	0.8
152.01018	0.6
155.10782	7.9
168.08145	0.6
173.11824	32.3
178.24213	0.7
216.45537	0.5
261.16129	1.3
287.16559	0.8
305.17673	0.8
317.16037	2.3
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	335.2204
Annotation	PGB1
Peak:m/z	Relative Intensity
54.70758	0.4
64.02247	0.5
70.30244	0.5
81.33185	0.5
87.88181	0.6
92.19503	0.8
93.53961	0.5
103.00121	0.5
121.26597	0.4
166.54346	0.5
205.16011	0.7
223.12729	0.5
251.16202	0.6
259.16818	0.7
265.04871	0.9
267.23260	9.9
279.19397	0.8
285.18307	3.1
287.19922	14.9
305.42764	0.5
307.22516	6.2
317.20926	0.7
319.18933	4.2
321.20288	0.8
335.22058	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	335.223
Annotation	15-epi-PGA1
Peak:m/z	Relative Intensity
50.50803	1.0
50.92120	1.1
57.03444	7.0
59.01377	6.7
59.04504	1.3
71.01376	1.8
71.05009	1.6
72.58458	1.1
83.05029	1.9
85.06587	1.6
85.76241	1.3
97.06606	1.2
100.29419	1.3
109.06564	6.2
111.04498	2.7
116.16167	1.2
205.16057	1.6
221.15504	8.2
230.81236	1.3
247.16974	9.2
249.14919	5.1
268.08328	1.4
273.21976	1.8
317.21176	21.7
335.22293	100.0
344.79532	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	335.2229
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
59.01384	4.1
65.82678	2.7
68.86168	2.4
109.06606	2.9
111.08151	33.5
123.57043	2.7
141.09210	3.3
179.14349	11.0
201.43076	2.9
203.51678	2.6
223.13397	60.6
225.66302	2.8
237.14906	5.6
289.21692	3.7
317.21140	19.7
334.85242	2.9
335.22327	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	335.2231
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
52.86015	1.3
59.01384	3.6
83.05022	2.4
94.02534	1.4
109.06533	2.0
111.08149	26.6
179.14395	8.7
195.13953	1.6
195.42979	1.5
223.11183	2.3
223.13405	69.1
237.14943	6.5
289.21713	7.3
291.19574	1.9
317.21194	21.5
335.22302	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	335.2229
Annotation	6alpha-Hydroxy-7-oxo-13,14-dihydrokolavenic acid
Peak:m/z	Relative Intensity
55.60342	0.5
68.86449	0.6
81.03452	7.7
112.12313	0.6
122.03787	1.8
125.02428	6.2
151.00391	0.9
172.82816	0.5
178.35619	0.6
249.22232	3.4
251.20134	7.2
256.30649	0.6
291.23309	63.1
317.21228	0.9
335.22293	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	335.223
Annotation	(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate
Peak:m/z	Relative Intensity
51.48601	1.5
57.03452	2.6
59.01374	8.0
71.30717	2.0
72.93300	1.7
81.03465	3.3
83.01382	9.9
83.05038	8.1
83.86457	1.7
90.54356	1.9
95.05013	2.9
97.02934	2.7
97.06565	2.8
105.72220	1.9
110.03741	3.7
126.31873	1.8
128.95969	2.0
135.19516	1.9
139.11270	9.1
151.11290	8.8
163.11275	3.3
165.12817	7.3
167.10719	2.8
179.10721	3.5
207.13855	4.2
233.62508	2.0
235.13387	100.0
265.04773	3.8
273.22400	8.2
300.65466	2.4
317.21249	52.7
335.22281	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31597	3.1
54.54249	3.2
59.01383	20.1
61.14815	3.0
67.01934	3.9
71.01373	7.7
73.02973	4.0
81.03458	6.8
83.01391	5.7
84.90609	4.0
85.02942	23.1
87.00871	6.0
92.20062	8.4
93.03461	4.7
95.38752	3.9
97.02959	8.1
99.00888	4.9
100.69491	3.3
101.02422	8.8
101.59434	3.6
101.62757	3.8
109.02966	34.9
110.53224	3.5
111.00886	40.0
113.02480	7.8
113.06078	6.2
113.99552	4.1
119.49504	3.4
121.02932	3.4
123.00908	3.8
123.04544	3.4
125.02435	55.2
127.00404	3.6
135.04408	4.1
137.02435	32.3
138.03258	3.1
139.00406	31.6
139.04034	7.3
140.01096	3.5
141.01965	28.5
149.02391	4.6
149.75270	3.6
151.04028	14.3
153.01932	100.0
154.99881	18.5
161.06200	3.7
165.01904	56.6
166.02748	6.6
167.03474	8.2
177.01981	25.9
177.05661	4.5
179.03543	4.6
183.02992	13.6
187.03947	5.2
187.31129	4.7
191.03561	17.3
193.01343	14.0
203.07062	6.3
205.05113	5.1
207.24207	4.0
215.03568	6.7
217.01381	5.9
231.06516	4.8
233.04527	22.5
235.02463	13.8
257.04590	6.3
275.05701	17.5
293.06653	6.7
301.03635	4.1
319.04672	17.7
337.05542	75.1
337.14835	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	337.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68027	20.0
59.01384	24.2
60.55545	20.7
73.73798	22.7
91.80370	24.9
111.78400	27.9
139.03981	88.3
151.51831	24.5
337.07196	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	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
59.69772	0.6
65.30373	0.6
68.81718	0.6
68.99802	1.4
71.01379	1.5
79.31146	0.6
83.01385	1.4
84.46125	0.7
85.02946	6.8
87.00862	1.3
95.01381	0.9
99.00890	4.8
101.02436	0.8
103.60826	0.6
111.00860	2.7
113.02448	7.7
113.99576	19.4
115.00357	8.9
127.00377	3.3
129.01907	3.1
133.01418	1.6
139.00429	1.0
141.01944	0.8
157.01401	6.5
158.60403	0.7
169.01385	1.2
174.01691	27.5
175.02394	1.2
184.39452	0.8
191.05708	0.8
236.78830	0.7
258.97650	0.8
276.98682	0.9
277.05643	19.2
337.07782	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	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
50.73474	0.6
57.39932	0.5
58.02351	0.5
59.01382	5.9
61.57559	0.6
68.99809	1.1
71.01366	4.9
75.00853	0.8
83.01382	0.7
85.02955	5.8
87.00864	1.2
89.02443	1.1
91.47547	0.7
93.03500	0.6
95.01383	1.4
97.02921	0.6
99.00891	6.6
100.80274	0.6
101.02422	0.8
111.00874	3.6
112.98835	0.9
113.02437	8.5
113.63654	0.6
113.99577	18.8
115.00375	11.0
127.00376	3.7
129.01921	2.6
139.00362	0.7
141.02028	0.6
142.99849	4.9
146.31178	0.6
156.39606	0.6
157.01392	6.2
161.00836	0.9
169.01439	2.4
174.01686	23.9
175.02521	4.8
277.05658	16.2
337.07785	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13434	0.8
59.01385	100.0
66.00081	0.8
68.65731	0.8
71.01389	11.9
72.54771	0.9
73.55700	0.9
85.02946	1.7
87.62215	1.1
89.02438	19.4
91.37199	0.9
95.01379	1.1
101.02440	8.3
108.42080	1.0
113.02443	4.9
113.08854	1.0
116.21262	1.1
118.18526	1.0
119.03500	6.2
125.70898	1.0
143.03519	1.1
161.04576	4.9
179.05617	6.0
188.01566	1.2
223.11462	1.2
277.09283	4.0
318.43973	1.1
333.99744	1.0
337.07819	1.3
337.11667	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	337.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
61.98825	24.1
71.01380	4.3
71.56564	4.4
78.95901	6.2
85.02947	9.5
87.00891	7.2
89.02432	5.5
101.02435	23.8
113.02446	34.2
121.90306	4.6
124.23116	4.5
131.13759	4.4
132.49820	5.0
180.06767	8.2
213.34094	4.7
238.09537	7.9
283.13095	21.3
337.07745	32.1
337.11700	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	337.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08204	1.1
59.01385	1.5
69.03453	66.2
71.01394	5.1
85.02975	2.0
89.12802	1.1
113.02439	41.8
133.47978	1.2
157.01414	100.0
197.07182	1.2
201.52780	1.4
221.78235	1.3
251.07201	2.5
266.09576	2.3
279.06921	1.3
294.08868	8.9
309.11325	7.3
322.12064	7.3
337.10553	8.4
337.14081	10.4
337.23773	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	337.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27877	0.5
75.02528	0.7
111.72224	0.6
113.12581	0.6
119.87337	0.7
129.32236	0.5
142.92615	0.6
264.07764	0.8
279.10233	30.5
293.08218	1.0
305.11783	1.1
307.09784	24.2
321.11392	3.9
322.12115	100.0
337.14478	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1447
Annotation	Taxamairin A
Peak:m/z	Relative Intensity
52.19383	1.1
52.85472	1.0
56.23573	1.0
61.16394	1.1
70.84448	1.1
72.01474	1.3
87.01983	1.2
90.32954	1.3
110.41151	1.3
112.12064	1.2
122.52805	1.2
138.98871	1.4
139.11240	1.9
147.10872	1.2
150.72694	1.2
154.86942	1.2
197.11806	5.6
239.29921	1.1
246.61510	1.4
279.10260	21.2
284.12866	1.5
305.11807	1.7
307.09827	23.6
309.68439	1.3
321.11383	1.6
322.12115	100.0
337.11417	2.5
337.14493	59.1
337.23761	21.3
339.61282	1.3
356.36850	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	337.1448
Annotation	Taxamairin A
Peak:m/z	Relative Intensity
55.93458	0.5
57.66027	0.6
71.58521	0.7
72.06096	0.6
74.23898	0.5
77.83865	0.6
84.15836	0.6
98.06969	0.6
104.09499	0.6
118.22677	0.6
142.39197	0.7
219.76106	0.6
224.65999	0.5
244.09308	0.7
279.10266	22.9
293.08130	0.8
307.09756	18.3
318.91818	0.7
321.11346	1.2
322.12112	100.0
337.14478	68.1
337.18628	1.4
337.23581	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	337.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05863	1.0
66.78482	1.0
68.29841	1.0
83.45251	1.1
104.13658	1.0
167.14964	1.2
184.92796	1.6
264.07852	1.8
279.10257	59.1
307.09796	42.3
321.11349	6.2
322.12119	100.0
332.77814	1.5
337.14468	76.5
337.23795	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	337.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98577	0.6
62.03736	0.6
181.18013	0.7
208.42404	0.7
279.10248	23.6
307.09784	18.5
321.11246	1.6
322.12140	100.0
337.14493	70.9
337.18677	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67064	0.7
55.01591	0.7
59.01385	69.0
63.99422	0.9
68.84612	0.7
71.01383	32.9
73.02962	1.1
84.03841	0.7
85.02938	6.4
87.00855	1.7
88.07806	1.0
89.02443	37.3
92.20099	1.0
95.01379	1.7
101.02444	26.0
104.25333	0.7
113.02445	16.0
119.03487	14.4
145.08714	1.6
272.63608	0.8
317.17410	1.0
337.15076	100.0
348.67075	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	337.2386
Annotation	3beta,8alpha-Dihydroxy-13E-labden-15-oic acid
Peak:m/z	Relative Intensity
51.63205	1.0
57.49609	1.1
59.01382	3.0
60.10630	1.2
61.44818	1.0
64.51936	1.1
70.19905	1.2
71.01376	1.4
83.05023	5.0
91.81488	1.1
113.09731	8.2
118.16885	1.4
139.11272	15.2
153.12817	1.5
165.12840	1.4
167.14409	1.2
193.15852	1.6
197.11826	14.9
211.13493	2.2
219.59912	1.4
237.14937	22.5
275.23822	2.0
281.12515	1.5
309.11346	6.6
317.17453	1.5
319.22797	100.0
322.08499	1.9
322.12125	6.2
337.10849	1.8
337.14438	5.3
337.23849	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	337.2387
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.74714	0.7
57.03451	2.1
57.21174	0.7
59.01392	6.5
62.42377	0.7
69.78948	0.8
71.01363	2.2
78.34354	0.9
81.50072	0.9
83.05034	1.3
84.02152	1.0
99.08150	3.8
113.09706	3.7
129.09238	5.7
193.16039	1.6
207.13908	1.8
223.13385	4.6
237.14926	11.0
319.22815	6.5
322.12030	1.5
336.96393	1.2
337.23880	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	337.2389
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
52.24351	2.4
52.65685	2.7
55.41337	2.7
59.01387	2.5
61.43309	2.5
66.06840	2.8
72.76896	2.6
77.56244	2.8
78.18468	2.6
97.89737	2.8
139.11302	11.2
164.80983	3.3
181.12186	3.3
197.11833	16.0
211.13412	3.9
310.57932	3.6
319.22818	5.3
322.12146	22.1
324.08301	3.1
337.14481	21.2
337.23853	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	337.2386
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
54.18242	0.7
54.68778	0.6
57.03445	1.2
59.01399	5.3
64.23283	0.7
64.51092	0.7
66.22068	0.6
67.93008	0.7
69.22580	0.7
70.21574	0.8
71.01374	1.4
76.72498	0.7
79.40657	0.6
80.71255	0.8
80.71899	0.6
83.05013	1.5
99.08161	3.5
113.09731	2.5
127.07648	0.9
129.09216	5.2
153.39777	0.7
155.96022	0.9
160.28700	0.8
165.12740	0.8
183.10271	1.0
189.12787	0.8
193.16042	1.9
207.14125	0.9
209.15471	1.2
214.80077	0.8
223.13342	5.6
225.14928	1.6
237.14973	10.1
319.22864	7.0
322.12076	1.2
337.10757	1.2
337.23865	100.0
356.07037	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	339.064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26451	0.9
57.45829	0.9
58.23261	1.0
59.01362	1.0
71.01377	5.7
79.01298	1.0
88.72569	1.0
93.64193	1.0
95.05038	1.0
109.02950	31.2
117.03453	2.1
119.05026	4.9
123.04518	57.3
123.05408	1.9
124.01617	1.9
134.26163	1.1
137.02484	1.0
139.04004	17.5
145.02948	32.2
149.02458	8.9
150.03230	2.3
151.03996	22.2
163.03981	9.1
163.76276	1.0
164.01144	25.3
164.04803	12.1
178.02760	7.7
179.03494	58.1
181.05040	2.0
187.04172	1.0
193.05092	4.0
194.83731	1.1
198.64427	1.0
208.03763	1.2
215.72231	1.1
223.06131	13.2
276.30530	1.0
291.77234	1.1
295.06189	1.0
303.08752	100.0
339.06653	1.1
339.10889	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	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49165	0.3
59.21321	0.3
60.31805	0.3
66.15012	0.3
71.01395	0.6
73.02931	0.6
87.00870	0.7
97.02975	0.4
99.00866	0.7
101.02457	0.8
117.03450	8.6
119.05019	19.0
119.05862	0.7
123.09809	0.4
125.02457	0.6
131.90875	0.4
141.01941	0.6
145.02946	100.0
161.04457	2.7
163.04015	12.3
175.06131	1.9
182.67818	0.4
193.07207	2.0
275.68204	0.4
339.10858	38.9
343.48987	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	339.1086
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01379	3.5
63.26889	0.8
71.87325	0.7
84.30098	0.8
95.03640	0.8
100.12540	0.8
101.02467	1.2
110.41680	0.7
117.03449	8.4
119.05024	19.1
130.60788	0.8
141.02000	1.1
145.02960	100.0
161.04639	3.1
163.04004	13.1
202.00529	0.8
339.10870	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	339.1087
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.09658	0.9
54.10638	0.8
54.11603	0.9
59.42412	0.9
60.53183	1.1
61.98828	1.2
63.55539	1.1
72.91866	1.1
72.99319	1.2
82.71658	0.9
83.01384	1.1
83.89822	1.1
85.02963	1.0
87.00877	1.2
87.97745	1.1
96.96017	1.1
97.58765	1.1
117.03455	7.0
119.05014	18.4
123.04568	1.4
125.02394	1.5
127.00378	1.3
130.77234	1.0
145.02962	100.0
151.03995	1.8
154.31021	1.1
161.04578	1.9
163.04057	13.4
189.05569	1.4
233.08170	1.5
249.58827	1.3
253.01077	1.2
335.25436	1.3
339.07562	2.2
339.10910	33.1
339.14893	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	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26084	0.3
52.31823	0.4
52.45661	0.3
59.01389	0.4
61.79110	0.4
71.01385	0.6
74.02223	0.4
80.21352	0.4
81.44572	0.4
85.02940	0.9
91.32534	0.4
99.00875	0.7
101.02412	0.5
117.03463	6.5
119.05012	13.0
125.02454	1.0
125.34601	0.4
130.02248	0.4
141.01894	0.5
145.02951	100.0
161.04535	8.2
163.04010	9.2
193.07178	0.8
195.58243	0.4
280.34644	0.5
300.83832	0.5
339.10846	33.4
345.70813	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	339.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31876	0.7
59.01384	43.2
60.73863	0.9
66.28207	0.7
71.01389	6.1
79.71182	0.8
89.02435	4.4
99.00880	1.7
99.04528	0.9
101.02437	3.6
104.13554	0.8
117.05585	1.3
129.02011	1.2
141.42009	0.8
158.04860	1.6
159.05637	16.7
161.08293	8.0
173.07201	14.0
177.04211	1.7
177.06700	28.1
191.08272	51.3
205.06195	100.0
219.07762	42.7
219.11035	1.0
245.09221	2.1
321.10657	1.1
339.11996	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.41258	0.5
60.45902	0.5
71.12191	0.5
92.53052	0.5
93.24013	0.5
93.77700	0.5
108.76034	0.6
119.05048	2.0
129.45477	0.5
145.02962	10.1
163.03992	0.9
220.36847	0.5
238.06377	6.8
265.08911	0.6
266.05838	2.8
278.09546	7.0
281.08179	6.2
296.10526	18.4
306.09134	4.5
309.07761	8.5
321.11334	26.1
324.10040	17.0
339.12393	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	339.1238
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
51.21138	1.1
65.52013	1.1
74.46941	1.2
92.19505	1.9
145.02942	1.9
172.36783	1.2
296.07309	2.5
296.10550	65.6
324.10019	44.1
339.12387	100.0
341.07068	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	339.1239
Annotation	(-)-Galbacin
Peak:m/z	Relative Intensity
50.55668	1.1
58.13697	0.9
64.22713	1.2
65.60056	1.2
92.19439	2.3
102.71998	1.0
119.05006	4.9
133.09615	1.2
143.45125	1.1
145.02962	25.4
152.25284	1.1
157.93666	1.0
163.04012	2.0
187.23048	1.2
207.67903	1.2
227.31367	1.3
242.26833	1.3
245.08167	1.8
253.04970	4.5
265.12448	1.3
268.07330	4.7
269.08136	5.7
279.13818	5.0
281.04617	1.3
284.06805	1.4
292.10983	2.7
293.11829	14.9
294.12637	2.3
295.09714	5.5
295.13342	4.8
296.06860	4.8
296.10519	8.0
297.07703	1.6
306.08984	6.3
307.13412	24.1
309.07632	2.3
309.11502	1.9
309.14929	15.7
311.12854	11.4
321.11255	11.7
324.10001	18.9
324.13696	4.4
339.12280	100.0
339.16083	62.8
339.20349	2.4
339.25394	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	339.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14129	0.4
55.80812	0.5
57.08624	0.5
72.11500	0.5
92.19494	0.8
99.57887	0.5
107.86090	0.5
119.05027	0.7
145.02963	5.6
172.36629	0.7
209.55949	0.6
276.81958	0.7
280.11050	1.3
281.08264	0.6
281.11816	0.9
291.10321	2.2
292.10938	0.7
295.13446	0.7
296.14050	0.7
305.11746	2.9
307.13235	1.0
309.11334	6.6
323.12872	1.2
324.13678	100.0
339.11990	4.2
339.16000	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31470	0.5
71.18494	0.5
73.06321	0.5
87.69595	0.5
145.67932	0.5
186.28143	0.5
186.29700	0.6
237.12823	2.5
253.08569	5.6
258.95477	0.6
266.05927	1.1
267.04904	0.5
281.11948	4.5
288.12634	0.6
309.11374	21.8
323.13080	2.4
324.13690	100.0
339.16034	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	339.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54414	0.4
73.24267	0.6
83.06158	0.5
83.72143	0.5
86.24532	0.5
105.26093	0.5
107.39754	0.5
117.03421	0.6
119.04971	1.1
133.25002	0.6
145.02953	14.2
152.99588	1.0
160.37032	0.5
163.03949	0.6
252.07893	0.7
281.08203	0.8
291.10107	2.1
292.11099	1.3
295.09769	1.1
295.13354	2.4
296.10364	0.9
305.11914	1.3
306.12628	2.9
309.11295	7.4
311.12967	6.2
323.12802	1.1
324.13687	100.0
339.11884	7.4
339.16006	62.5
339.19086	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	339.1603
Annotation	Myricanene B
Peak:m/z	Relative Intensity
64.67794	1.8
69.34263	1.7
76.75352	2.1
81.16351	2.0
94.91689	2.4
155.79878	2.6
190.61304	2.3
269.11838	3.1
281.11804	15.2
309.11343	27.1
320.02322	2.2
324.13678	100.0
339.16037	67.8
339.19821	4.1
340.64319	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	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27319	0.4
79.30609	0.4
81.74358	0.4
83.40375	0.5
102.97027	0.4
119.05013	2.3
145.02954	8.0
159.76312	0.4
163.04030	0.6
183.01210	17.8
197.02785	0.5
339.11447	2.9
339.19998	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.38084	0.6
51.40319	0.4
54.11619	0.5
56.63702	0.4
59.53410	0.4
62.70062	0.4
63.28527	0.5
65.76609	0.5
69.88288	0.5
75.77187	0.5
87.18409	0.5
92.13183	0.5
99.42526	0.5
107.71140	0.5
163.11282	100.0
339.23285	56.9
339.27457	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	339.254
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
50.68213	0.8
52.20822	0.7
56.15249	0.9
76.09775	0.8
79.36957	0.8
82.39998	0.9
105.84389	0.9
145.02887	0.9
183.01247	0.9
204.11858	0.7
213.32050	0.9
277.25366	88.4
295.26324	1.7
321.24384	26.0
321.49280	0.9
332.10367	0.8
339.12256	4.7
339.20184	6.8
339.25409	100.0
339.32547	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	339.2542
Annotation	Borjatriol
Peak:m/z	Relative Intensity
50.53811	1.9
51.21776	1.9
54.14994	1.7
54.22237	1.8
59.01385	100.0
73.05924	2.3
78.47263	2.0
85.27323	1.9
108.04293	2.1
123.65373	2.3
145.02953	25.7
183.01256	3.1
279.23322	8.3
297.24335	63.9
324.09952	2.9
339.11664	11.3
339.19974	12.1
339.25436	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	339.2541
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
57.03436	0.6
58.00576	0.6
58.88132	0.6
59.01396	1.0
61.92300	0.6
80.63235	0.6
92.20167	0.7
99.08147	3.0
113.09721	4.5
117.03490	1.0
119.05038	1.2
127.07726	0.7
129.09216	4.1
141.72644	0.7
145.02975	12.9
163.03986	1.2
181.15886	0.6
195.13724	0.7
197.15492	3.7
209.15405	4.5
211.17168	1.2
221.15475	2.8
223.17093	0.8
225.14966	14.9
227.16530	3.9
239.16533	17.0
239.18755	1.2
242.73700	0.7
259.52328	0.7
321.24399	10.0
339.10986	4.3
339.25415	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	339.2541
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
58.04553	0.8
58.80166	0.8
59.01392	1.1
65.75212	1.0
71.01392	1.4
71.05022	9.2
73.02937	2.1
83.05023	1.3
83.23495	0.8
87.04502	1.7
88.52185	0.8
99.04531	1.8
101.06088	15.0
113.09731	1.1
115.07655	1.6
119.05011	4.6
145.02950	19.1
163.04010	1.3
217.04254	1.0
221.19128	2.1
228.47627	0.9
321.24387	3.6
339.10855	9.7
339.25421	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	339.254
Annotation	11-deoxy-PGF1alpha
Peak:m/z	Relative Intensity
51.93634	2.1
53.63095	1.9
58.00595	2.2
58.98380	2.2
59.01383	5.5
67.31755	2.9
71.01370	2.3
73.02944	4.9
165.12817	2.4
197.11900	4.7
227.12830	23.4
328.88303	2.5
339.11975	4.1
339.20999	4.7
339.25424	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	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38722	0.9
65.38614	0.9
68.65411	0.8
75.79428	0.9
76.79874	0.9
96.17595	1.0
99.08169	2.1
113.09705	5.0
119.05023	1.9
129.09200	3.6
145.02965	12.9
181.15990	1.4
197.15555	1.4
205.77031	0.9
207.13866	1.5
209.15543	4.6
211.17001	3.9
221.15494	2.0
225.14948	10.2
227.16525	4.9
238.66536	1.0
239.16479	14.8
260.57690	0.8
303.23532	1.3
305.40384	0.9
321.24457	8.4
324.10031	1.1
339.11111	5.6
339.20581	3.5
339.25424	100.0
344.28647	1.1
351.34775	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	339.2542
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
53.00150	1.9
59.01386	2.2
63.63173	1.8
68.72001	1.9
73.55231	1.9
83.93698	1.9
98.63474	1.9
99.08152	15.1
127.07656	2.4
129.09192	28.0
163.01381	2.2
178.15521	2.1
192.41586	2.2
209.15453	36.6
321.24292	4.5
339.20673	3.2
339.25381	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	341.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
59.01658	0.6
69.29848	0.7
70.36939	0.7
71.01405	2.6
82.35184	0.6
85.85463	0.7
89.02442	2.4
91.01893	3.1
93.03470	0.7
108.02163	3.1
109.02919	1.3
110.91819	0.6
111.04504	4.0
116.16491	0.7
118.35242	0.7
119.03510	0.9
121.78653	0.8
123.04513	36.5
123.05415	1.3
125.02435	32.0
137.02440	8.9
139.04028	8.5
139.52193	0.7
151.00340	2.6
152.01147	3.5
155.03491	2.6
164.01089	1.5
165.01935	8.1
167.03493	100.0
169.65381	0.6
173.04567	3.2
174.44902	0.6
177.01900	0.9
177.05542	1.0
179.03473	6.6
190.85327	0.7
203.03389	0.8
204.04300	1.5
210.45421	0.7
215.72980	0.7
218.78517	0.7
219.06593	5.7
221.04543	3.4
237.07599	0.7
261.07675	1.1
305.06686	42.2
341.08264	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	341.0669
Annotation	bikisocoumarin
Peak:m/z	Relative Intensity
51.93998	0.8
53.91005	0.8
69.68451	0.7
83.05006	0.8
83.62557	0.7
99.79668	0.7
101.00358	0.9
109.02954	17.5
117.15311	0.9
119.04951	1.0
123.04512	12.9
125.88282	0.7
127.45891	0.8
133.02968	0.9
145.02924	2.1
147.04489	1.5
149.02397	1.8
151.03972	11.7
161.02412	1.1
176.01093	0.9
177.01929	38.0
180.13344	1.0
187.04048	6.2
188.04803	3.3
189.01939	32.7
189.05663	1.1
190.02692	14.2
191.03485	7.0
203.03500	4.1
216.00690	10.8
217.01431	22.5
218.02214	3.3
219.03009	10.6
222.01715	1.0
229.08752	1.5
231.02945	5.2
232.03748	1.5
264.04218	0.9
281.04620	11.6
282.05161	1.0
297.07584	4.4
323.05841	1.0
341.06671	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78579	0.5
59.01385	1.3
67.90403	0.5
71.01368	1.1
89.02431	2.9
91.01884	4.2
93.03455	0.7
95.05049	0.6
100.52100	0.6
101.02475	0.6
108.02190	3.2
109.02950	1.3
111.04498	3.9
119.03505	0.9
123.04516	38.1
125.02435	19.4
137.02403	4.4
139.04070	4.1
151.00333	0.7
152.01152	2.3
155.03510	2.7
164.01074	1.1
165.01981	4.5
167.03494	100.0
173.04579	2.1
179.03479	4.1
204.04327	0.9
219.06662	4.0
221.04585	1.0
288.45059	0.6
294.12164	0.6
305.06674	24.7
341.08362	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19045	0.4
59.01392	8.3
61.91521	0.4
71.01376	6.3
85.02935	0.6
87.00864	0.6
89.02443	8.2
99.86381	0.4
101.02439	3.1
107.05021	2.5
109.39919	0.5
109.44978	0.5
113.02452	2.3
119.03480	2.7
123.04516	3.6
125.02448	3.6
134.03752	0.7
135.04527	68.3
161.02455	2.0
167.03523	9.0
170.63887	0.5
179.03503	100.0
305.06644	5.0
309.48508	0.6
341.08707	5.2
341.11279	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
57.75169	0.4
59.01385	0.7
59.05058	0.4
63.27767	0.4
67.01891	2.4
69.03449	0.4
71.01377	2.5
91.01898	0.5
93.02902	0.7
93.03458	16.7
108.02164	0.8
111.00838	0.5
111.04533	5.8
123.04523	9.0
137.02455	4.2
155.03503	4.1
167.03497	21.1
173.04546	100.0
175.24933	0.4
191.05606	2.7
195.21748	0.5
341.08752	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	341.0878
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.94463	0.3
71.01392	0.4
78.59238	0.4
85.02986	0.6
87.00885	2.5
89.02476	0.4
98.57632	0.4
99.00904	0.5
99.01580	0.3
101.02418	0.4
117.01949	1.6
125.02464	0.5
132.02144	0.5
133.02963	7.2
134.03783	0.5
135.04526	10.2
136.07272	0.5
155.75475	0.4
161.02446	100.0
161.04597	4.7
179.03493	5.5
179.05603	6.2
248.00797	0.4
341.08783	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1031
Annotation	12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE
Peak:m/z	Relative Intensity
55.16832	0.4
59.01412	0.5
59.12143	0.4
157.07124	0.5
255.03017	3.9
259.66504	0.5
278.16464	0.5
283.02768	0.7
283.06165	9.7
297.07748	2.7
298.08490	12.3
311.05621	2.6
311.09122	0.7
313.10953	0.8
325.06702	0.5
326.07999	50.4
341.10327	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	341.1089
Annotation	Sucrose
Peak:m/z	Relative Intensity
53.32201	1.2
58.18027	1.1
59.01385	100.0
68.96025	1.2
71.01384	68.1
83.01379	2.4
85.02944	8.2
87.00871	2.0
89.02441	94.8
95.01375	2.6
101.02444	33.0
113.02451	24.9
119.03490	27.9
131.03471	2.8
143.03506	1.8
149.04507	2.0
161.04526	5.5
179.05624	25.1
188.25494	1.3
315.07956	1.6
341.10922	82.0
343.92029	1.4
354.25089	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	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
59.01383	34.1
65.36594	0.8
71.01377	19.8
71.48438	0.8
73.02962	0.9
75.00843	1.2
85.02946	4.5
87.00862	4.4
89.02439	31.9
92.19506	1.0
101.02444	18.0
107.59405	1.2
113.01864	0.7
113.02455	11.0
114.96925	1.1
115.03458	0.8
119.03509	9.3
125.02459	1.8
131.03456	1.2
133.02972	7.8
135.04543	10.4
138.33948	0.9
161.02438	100.0
161.04344	7.0
174.94124	0.9
179.03497	4.7
179.05632	18.2
179.20871	1.0
191.05632	25.0
204.05173	1.0
215.89230	1.0
315.94830	0.9
341.08722	37.0
341.11206	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	341.1243
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
54.57939	1.5
59.01385	92.8
71.01391	45.3
71.42073	1.5
74.93729	1.9
85.02950	7.5
88.51833	1.8
89.02451	46.5
92.27784	1.5
95.01392	2.3
101.02454	23.0
113.02462	20.0
119.03480	11.4
119.05032	22.7
131.03517	2.2
135.08151	10.2
143.03510	3.1
161.06081	100.0
172.71362	1.9
179.05600	6.9
179.07143	17.6
287.62378	2.3
341.12137	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	341.1243
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
59.01385	100.0
68.05309	1.5
68.81196	1.6
70.39869	1.3
71.01384	50.2
72.79199	1.5
77.39877	1.4
83.01357	1.7
85.02936	11.7
87.00899	1.2
89.02443	58.5
95.01385	1.7
101.02441	25.0
113.02451	16.6
119.03496	17.5
119.05037	23.4
135.08157	32.5
139.58479	1.4
146.92551	1.9
161.04677	3.9
161.06068	89.9
179.05602	6.2
179.07118	43.5
191.03499	2.4
271.38071	1.5
341.12350	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	341.1244
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
54.42916	0.8
55.27204	0.7
56.08223	0.6
56.78614	0.7
59.01384	3.0
62.95504	0.7
71.01372	1.6
72.05167	0.7
89.02443	3.4
89.09772	0.7
106.24265	0.8
109.02936	4.4
119.03513	0.9
123.04517	11.2
123.91502	0.8
135.08170	38.8
139.04019	3.4
151.04030	1.9
163.03929	0.9
164.01160	4.5
169.27478	0.7
173.04510	1.6
177.01826	0.9
178.02644	0.9
179.03583	11.6
179.07144	100.0
220.45038	0.8
229.11612	0.7
301.35886	0.7
303.08731	17.5
305.09537	1.0
341.06610	1.6
341.10590	1.4
364.65390	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	341.1395
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
50.43364	0.5
55.34937	0.6
59.01381	1.4
68.24375	0.6
71.01378	0.7
89.02438	1.3
101.02440	0.8
103.65137	0.7
109.02943	0.7
123.04461	0.9
135.04506	0.8
145.02975	3.0
177.01929	1.5
181.78450	0.8
189.01942	3.8
190.02734	1.0
248.74309	0.7
255.10246	5.9
267.06702	0.8
269.11841	1.2
270.12671	3.4
283.09763	24.0
295.09671	4.6
296.10382	2.8
297.11435	1.6
298.12115	4.6
311.09280	100.0
325.10870	4.7
326.11594	34.3
341.06729	6.5
341.13965	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
52.11571	1.0
59.01386	5.0
64.41487	1.1
69.49626	1.0
71.01380	2.9
71.50215	0.9
89.02453	2.4
145.02959	1.5
192.96510	1.6
237.41718	1.3
252.37090	1.4
255.10338	7.8
267.10248	2.3
269.11728	1.8
270.12604	2.7
283.09848	21.0
285.26987	1.3
295.09702	6.8
296.10571	1.5
297.11285	2.5
298.12137	6.9
304.20078	1.5
311.09280	100.0
311.12427	3.4
325.10754	2.8
326.11615	38.0
341.10544	5.9
341.13989	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Deoxymiroestrol
Peak:m/z	Relative Intensity
53.65174	0.6
59.01390	1.0
59.63364	0.6
76.93625	0.6
89.02441	1.1
140.86220	0.7
175.83603	0.6
219.06850	1.0
237.05644	0.7
252.07864	7.5
253.08696	1.1
258.08972	3.0
259.09778	4.1
279.10248	3.1
280.07401	12.7
280.10974	4.6
289.13562	0.8
295.13419	16.4
298.08423	1.0
308.10605	3.4
323.12909	35.7
341.10367	8.3
341.13962	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	341.1395
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
52.17285	0.7
64.26839	0.8
73.74758	0.7
104.20418	0.8
111.97105	0.8
113.24478	0.8
121.98220	0.9
125.34948	1.0
141.88844	0.8
158.83313	0.9
216.07841	1.1
219.06593	3.3
252.07919	6.2
258.09015	1.8
259.09641	1.8
265.05197	1.1
271.09763	1.7
272.10733	1.3
279.10242	1.1
280.07419	8.9
280.10693	2.3
293.08350	1.3
295.13446	11.0
307.09787	3.5
308.10696	6.2
321.11295	0.9
323.12943	25.8
325.60037	0.8
339.12393	4.9
341.13959	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	341.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37151	0.3
60.79659	0.3
63.49330	0.3
81.26687	0.4
83.31897	0.3
92.19374	0.8
95.78233	0.4
111.85277	0.5
137.35988	0.4
185.82681	0.4
196.46960	0.4
203.79797	0.4
255.10379	0.5
270.12540	0.6
283.09531	0.4
283.13394	0.7
293.11954	0.5
296.06870	0.6
297.11249	0.5
297.15015	1.8
298.15619	0.8
309.15027	2.0
311.05740	0.4
311.09268	1.9
311.12854	18.1
325.14450	1.9
326.08011	2.7
326.15256	100.0
341.10818	12.2
341.17575	60.7
341.20764	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	341.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81949	0.7
59.01385	0.9
67.93711	1.0
75.13881	0.9
87.50107	1.0
94.30688	1.0
137.77774	0.9
146.58150	0.9
164.36574	0.9
185.29315	1.0
227.54915	0.9
255.10091	1.4
283.13522	1.5
293.11829	22.9
297.14893	1.5
298.08313	1.1
298.15881	1.4
307.13477	1.2
308.14276	9.7
309.14996	6.1
311.09235	8.6
311.12888	24.5
325.10818	1.9
325.14362	3.6
326.11694	5.9
326.15213	84.6
341.13834	20.7
341.17581	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	341.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
71.01394	1.2
78.29781	0.6
84.57616	0.6
89.02447	1.4
109.01523	0.6
126.53307	0.6
138.27092	0.6
200.08464	1.4
211.16997	0.7
213.18532	1.1
225.09251	2.4
238.09953	2.9
239.10825	1.1
251.07104	6.0
266.09616	1.3
276.11484	0.8
279.10175	7.0
293.11816	3.5
294.12616	11.8
309.14981	100.0
311.16528	6.0
326.11670	3.2
341.10635	2.6
341.13980	7.3
341.17587	81.0
341.26538	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65363	1.2
57.03441	1.6
59.01371	2.1
59.15822	1.3
66.32348	1.3
69.03457	1.5
74.38242	1.2
84.02158	2.7
94.81425	1.5
97.06589	10.5
103.31328	1.6
124.18555	1.4
171.10265	12.5
183.13884	5.7
193.12340	16.1
211.13411	10.4
225.14960	23.3
230.50403	1.3
243.16043	6.5
244.97908	1.6
259.06747	1.4
280.21332	1.3
320.48599	1.9
329.09479	1.5
341.23355	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71193	0.6
54.94515	0.7
59.01387	1.0
61.53368	0.7
62.33193	0.8
69.03449	1.5
79.32861	0.8
84.02174	5.2
90.68628	0.9
92.20121	1.0
97.02948	1.6
97.06601	7.8
99.04506	1.9
111.08172	0.9
125.09686	0.9
141.53445	0.8
149.13309	0.9
156.47968	0.9
165.12889	0.9
171.10268	24.3
175.11285	1.1
183.13925	1.2
193.12326	16.9
211.13368	4.4
225.14944	19.9
243.15939	5.6
283.53470	0.9
341.23315	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
63.72752	0.8
81.81934	0.9
84.02168	17.4
90.83822	1.0
92.19439	1.6
97.02946	4.1
99.04512	4.9
103.32484	1.0
117.59068	0.9
119.08640	2.1
127.11252	1.3
135.08194	1.3
137.09778	1.0
171.10277	62.3
204.60876	0.9
297.15155	1.3
341.14301	2.0
341.23337	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	341.2697
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
53.84345	0.8
58.00607	0.8
59.01385	2.3
64.50206	0.8
71.01372	1.3
71.05025	10.7
73.02949	4.0
83.05045	1.5
87.04523	1.0
89.02441	1.8
99.04523	1.8
101.06078	14.4
115.07590	1.2
223.20712	8.1
253.21762	1.2
297.24313	4.9
311.05646	4.5
323.25809	3.8
326.08011	12.2
341.10440	15.4
341.13950	1.7
341.26965	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	341.2697
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
52.53242	1.1
57.03458	12.4
57.03703	1.6
59.01382	6.8
62.24229	1.4
62.71803	1.3
73.62833	1.3
74.87797	1.6
85.06510	1.2
89.02447	5.3
101.02422	3.0
123.08146	1.5
127.11271	2.0
139.11317	3.4
141.12874	13.6
169.12303	14.3
185.15457	42.6
197.15495	2.7
213.18605	6.8
217.34035	1.4
225.18604	7.5
253.12389	2.1
266.09564	1.8
281.24854	3.1
295.26486	3.0
297.27847	6.4
313.14404	2.6
323.12943	2.6
323.22406	2.3
341.10620	6.1
341.13986	31.9
341.17880	7.5
341.26981	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	341.2699
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
50.42923	0.9
54.68037	0.9
59.01385	4.6
71.01374	5.4
88.14607	1.2
89.02432	5.0
91.31472	0.9
101.02405	1.5
151.00803	1.0
179.05629	1.3
213.43216	1.0
279.26932	100.0
293.66281	1.0
297.28027	1.7
323.25943	23.1
337.40860	1.2
341.10953	5.8
341.26981	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
59.01392	1.2
89.02448	1.3
92.26742	1.0
152.10391	0.9
226.55951	0.9
228.85243	0.8
295.30005	5.7
297.28055	8.5
341.10724	1.2
341.27014	8.0
341.30627	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	342.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35892	1.3
51.22812	1.1
59.01379	2.4
63.22364	1.3
67.01890	2.2
70.03819	1.4
70.46093	1.2
71.01381	2.8
93.03458	25.2
94.03803	16.7
105.11970	1.4
111.04513	7.5
112.04848	3.1
120.05296	1.8
123.04514	8.9
124.04845	7.2
129.17625	1.3
137.02428	7.3
138.02818	5.4
145.02919	3.5
146.03293	3.5
147.03502	1.7
155.03532	3.0
156.03873	2.6
167.03481	15.9
168.03857	22.7
173.04558	100.0
174.04895	93.2
174.06441	2.7
192.05942	2.0
342.08575	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	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07261	4.2
54.79827	4.5
56.32313	4.6
59.01388	68.7
71.01398	6.3
72.75018	5.5
78.95910	34.5
89.02436	23.5
101.02427	11.0
109.02927	7.3
113.02493	7.9
136.93182	7.8
142.80835	6.0
152.92764	12.4
181.08685	5.8
194.93820	11.1
201.02545	38.2
208.91698	7.2
208.95323	31.6
222.93254	6.3
252.94119	9.5
270.95416	100.0
282.98907	7.3
343.12494	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0461
Annotation	Wharangin
Peak:m/z	Relative Intensity
59.75063	1.3
60.96877	1.6
63.40236	1.4
65.00323	2.8
65.88300	1.7
73.61095	1.3
74.31535	1.4
74.84184	1.4
76.06051	1.5
83.01373	7.3
85.17066	1.5
92.23759	1.4
97.02954	8.6
107.01402	2.1
109.02949	21.3
121.02947	19.4
123.00864	1.8
123.04523	2.0
125.02428	9.8
137.02432	9.4
145.02872	1.8
149.02449	16.9
151.00352	18.0
151.04015	9.6
161.02492	3.2
161.05980	2.5
163.00374	8.6
165.01935	52.3
177.01936	21.1
187.04018	2.9
189.99033	2.5
191.48949	1.5
192.00636	5.3
201.05649	3.1
203.07220	2.1
205.01456	8.8
205.05013	16.5
206.02342	2.5
220.10959	1.6
227.07030	2.5
229.05054	26.7
231.02943	10.3
247.06128	18.8
271.05908	4.9
273.04050	5.2
297.04041	2.1
315.05136	100.0
343.04626	77.1
343.08743	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	343.0462
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
56.01481	0.7
59.01371	1.1
59.48940	0.9
69.51449	0.8
72.17680	1.0
83.01395	1.1
83.71040	0.8
84.81210	0.8
108.54034	1.2
109.02908	1.2
117.81358	0.9
151.00278	1.0
153.01921	7.3
154.64320	1.0
161.02469	1.2
163.00389	1.4
165.01926	14.2
175.03986	2.1
177.01932	20.5
189.01920	1.4
190.99806	1.8
193.01428	33.5
201.05588	1.4
202.39198	1.1
203.03481	10.1
206.02267	1.5
206.77620	1.0
207.37010	1.0
215.03493	1.6
224.84584	0.9
227.03493	4.2
229.01450	1.7
229.05066	8.7
231.02994	69.4
234.01706	6.1
239.03578	1.6
255.02956	1.6
256.03793	5.2
257.04578	2.1
269.04581	2.1
271.06116	7.0
273.04016	7.5
279.02869	1.6
281.04562	1.5
284.09903	1.1
295.02570	7.4
296.03281	4.1
297.04102	22.5
299.05600	3.9
323.02020	15.0
325.03568	54.1
343.04602	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	343.0672
Annotation	Theogallin
Peak:m/z	Relative Intensity
59.01381	21.0
71.01376	9.0
83.01386	1.8
85.02958	2.8
87.00875	12.1
89.02464	10.2
93.03452	18.9
101.02444	11.4
102.35504	1.2
113.02448	7.0
119.03513	1.7
121.02937	1.8
123.04524	1.2
137.02440	37.2
151.04019	5.3
152.04793	16.4
162.03136	1.7
163.03986	2.4
165.01881	1.6
167.07123	5.1
177.01950	2.6
178.02754	1.4
178.06296	1.8
179.03523	12.5
181.01419	22.7
181.05046	7.2
182.89778	1.2
194.05858	5.8
203.03584	2.4
204.04353	2.0
206.02327	1.2
214.55704	1.2
217.59587	1.2
221.04639	1.7
223.02409	9.2
246.64764	1.3
248.03238	7.6
263.05652	1.5
283.04675	11.8
299.11200	1.5
307.04694	2.0
315.05115	1.5
325.05731	2.8
343.06717	100.0
343.10364	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	343.1035
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
59.01383	17.7
60.23852	0.5
67.91522	0.7
71.01373	6.5
79.38958	0.6
85.02924	0.8
89.02434	8.5
89.20461	0.6
93.03448	26.6
95.01434	0.8
101.02474	6.7
109.02947	0.8
111.04496	2.7
113.02441	3.1
119.03464	1.3
121.02949	2.6
123.00818	1.0
123.04515	2.5
125.02437	22.9
134.03734	1.0
135.04526	18.7
137.02429	6.4
137.06105	0.7
139.04027	5.5
149.02425	1.4
151.03958	1.3
163.04007	100.0
164.01120	0.6
165.01935	13.7
167.03522	10.3
169.03914	2.4
177.01932	12.2
177.05431	0.8
179.03461	4.1
181.01305	0.7
181.05107	0.9
190.02768	0.9
194.93880	0.6
203.03546	0.8
205.01436	0.9
218.02144	0.9
219.06592	4.5
221.04572	2.7
261.07709	0.9
305.06668	32.9
307.07281	1.3
343.04163	0.9
343.06674	1.5
343.10333	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1187
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
55.01878	1.2
59.01363	4.4
70.41847	0.8
71.01362	1.4
74.48578	0.8
83.01383	34.2
105.23026	0.8
109.02938	1.6
119.04983	0.9
121.02959	11.8
122.03735	12.0
123.04519	19.5
135.04509	1.7
136.05298	4.0
137.06091	10.3
147.04503	8.6
161.06044	5.1
162.06842	2.0
163.07639	6.0
169.83389	0.9
181.08723	20.4
181.12256	1.2
189.05534	5.6
195.06647	3.4
202.14529	0.9
206.05786	1.7
207.06651	8.5
218.38281	0.9
221.08266	3.0
225.15041	1.5
225.90489	0.8
229.14409	3.4
299.12875	1.2
328.09543	1.6
343.11823	100.0
343.20868	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	343.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28387	0.2
59.01385	2.7
59.05405	0.3
71.01385	0.4
76.44507	0.3
77.77732	0.3
79.79787	0.3
83.01423	0.5
83.38309	0.3
85.02974	0.5
93.59237	0.4
101.02431	0.5
107.05112	0.4
109.43855	0.3
109.96580	0.3
122.03741	0.6
137.02464	0.4
145.02992	0.3
149.02458	1.4
151.04012	0.5
166.06496	0.4
170.07315	1.5
172.05365	0.3
181.08710	24.8
182.07343	0.5
183.04372	0.5
185.06149	0.6
185.09708	0.7
187.07631	2.5
195.08167	0.5
197.06142	1.3
197.09688	1.3
198.06885	19.5
199.07675	0.7
211.03967	2.3
213.05914	1.0
213.09224	9.9
225.05553	9.6
226.06352	36.8
229.05055	0.4
240.07857	0.6
241.08707	100.0
258.05286	0.5
285.07666	6.0
299.09879	0.7
299.12894	16.7
299.16254	0.6
317.13846	2.1
343.11383	6.8
343.21344	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	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
56.85274	1.4
59.01387	100.0
59.01685	3.9
71.01384	9.1
78.58175	1.6
79.08070	1.3
79.83157	1.3
85.02952	2.1
87.00849	1.7
89.02434	3.0
101.02411	6.1
105.79567	1.7
113.02436	3.1
166.06364	3.5
179.05620	2.0
181.05144	2.1
181.08708	54.2
264.10175	1.5
343.04587	2.2
343.08130	2.7
343.14368	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02989	0.3
53.20848	0.3
67.10997	0.3
77.50114	0.3
94.54020	0.3
110.14162	0.4
119.85608	0.3
122.03741	2.9
126.48792	0.3
131.33992	0.3
141.14903	0.3
174.74860	0.3
181.08711	100.0
254.49532	0.4
267.27835	0.4
287.29181	0.3
321.25977	0.3
343.13992	5.1
358.90820	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
59.01104	0.6
59.01385	14.6
59.13114	0.4
71.01386	7.7
71.34058	0.4
73.02941	2.4
75.07404	0.5
78.50591	0.4
83.01379	2.1
85.02966	4.7
87.00868	0.6
89.02451	6.7
92.37952	0.5
95.75033	0.4
101.02451	8.7
109.24468	0.4
113.02438	3.8
113.93472	0.4
119.03441	1.6
121.02955	0.8
122.03735	1.1
135.04524	0.5
146.03275	0.8
147.03619	1.1
158.34198	0.5
163.07632	6.5
179.56137	0.5
181.08716	72.2
193.80167	0.5
219.83867	0.5
310.76208	0.5
343.14020	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47214	0.2
71.01383	0.2
86.99350	0.2
122.03717	2.3
137.06056	0.4
181.08705	100.0
197.98785	0.2
216.54079	0.2
225.20088	0.2
343.13956	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93037	1.3
58.74061	1.2
59.01101	2.6
59.01385	65.7
59.08957	1.3
62.96903	1.7
64.74094	1.5
68.59279	1.3
71.01384	30.0
72.99312	1.4
73.02922	2.0
75.20192	1.6
78.91288	1.4
81.03460	2.0
85.02956	7.0
87.00827	1.5
89.02445	44.0
95.05030	8.7
97.02957	2.6
97.99026	1.4
101.02447	16.0
113.02452	16.0
115.53932	1.4
119.03510	13.7
121.02948	2.3
123.04501	3.0
125.02445	17.5
137.02449	1.5
137.06058	7.1
139.03978	6.0
151.07677	14.5
157.71500	1.4
161.04527	1.8
163.07640	48.3
165.01906	2.5
167.03514	28.0
179.05580	5.9
179.07108	3.4
181.05051	31.8
181.08632	1.6
193.05023	8.7
195.06602	2.1
197.04509	2.9
223.06129	100.0
235.06152	2.4
253.07162	23.0
263.67178	1.6
299.22211	1.5
338.81970	2.1
343.10150	9.6
343.14182	7.9
355.92419	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	343.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42336	0.5
65.33184	0.5
71.01378	0.9
75.76952	0.5
84.50034	0.6
109.98250	0.6
121.06602	0.9
123.08112	0.8
147.04590	0.9
150.80179	0.7
165.09210	6.1
177.05606	0.9
177.09215	4.6
181.08707	5.7
187.07610	0.8
203.07181	3.4
206.57646	0.6
271.22797	5.3
311.16864	4.5
313.10867	18.7
313.14273	1.7
315.16171	3.3
325.14410	6.4
328.13187	95.6
331.09589	0.7
343.15540	100.0
343.18896	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	343.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59298	0.5
58.09061	0.7
62.86522	0.6
80.02824	0.7
92.20093	1.2
126.50668	0.9
135.08170	1.5
136.05295	3.0
137.06067	1.3
162.03217	3.3
163.04053	2.4
164.08420	0.9
165.09198	57.2
177.05560	8.4
179.07172	4.1
203.07190	0.7
204.07889	1.6
205.08615	0.9
216.07845	0.8
217.08626	0.9
297.14935	0.8
302.30756	0.7
309.11456	1.2
310.11990	5.9
325.10559	1.3
325.14465	50.3
343.15536	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	343.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77861	0.8
67.66135	0.8
71.01376	9.8
74.59602	0.9
75.28910	0.7
75.83461	0.8
78.54899	0.8
89.81020	0.7
90.43797	0.8
95.05032	0.9
109.06617	0.9
121.06587	1.1
123.04465	1.2
141.05359	0.9
144.05765	1.0
149.09741	1.8
159.08090	6.1
167.17697	0.8
185.13333	6.1
189.09239	1.0
199.07640	2.0
211.11307	3.7
212.08423	1.2
213.09248	1.6
214.09947	6.3
225.09187	1.2
227.10754	7.9
229.12357	23.2
239.10802	1.2
241.12344	1.9
251.10501	1.0
253.12331	4.3
254.09470	1.9
255.13947	1.1
257.11642	1.3
269.11810	3.5
269.15469	1.4
271.13498	1.2
280.10889	6.1
295.13391	8.4
296.10342	1.1
298.11938	2.2
299.12924	2.0
299.16275	1.2
310.12207	1.1
313.14410	11.4
325.14337	6.8
343.15521	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	343.155
Annotation	Orcadensin
Peak:m/z	Relative Intensity
59.01370	3.2
59.96105	0.5
60.22822	0.6
64.85566	0.6
67.50828	0.6
73.86461	0.6
89.34009	0.7
92.19478	0.7
99.08196	0.7
113.06062	7.7
143.20027	0.6
164.08371	1.1
165.09230	1.0
174.70256	0.6
181.08711	8.6
191.07207	1.2
192.07964	0.8
193.08725	4.8
196.14418	0.6
197.96208	0.8
201.09192	3.1
203.07170	1.2
217.08676	0.9
225.14998	2.2
229.08702	10.0
230.09473	24.7
231.10170	1.1
241.10100	0.7
241.12221	5.1
256.11081	1.2
257.11819	1.3
269.15356	2.5
283.13535	0.8
285.14978	1.0
295.09726	3.9
295.12762	0.7
297.14920	3.2
299.16525	6.7
307.13266	1.2
310.12170	16.3
310.15540	1.4
311.16492	1.3
313.14447	2.8
315.16034	3.1
325.14417	11.3
327.15970	11.4
328.13168	2.1
328.16751	19.7
328.20496	1.1
343.15424	100.0
343.19223	38.1
343.24597	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	343.1552
Annotation	Sculponeatin J
Peak:m/z	Relative Intensity
121.06564	2.4
123.08148	3.4
187.07632	13.2
230.87656	1.7
241.12311	29.8
269.15405	6.1
311.16541	71.9
313.10864	6.3
328.13177	100.0
343.15457	82.0
343.19226	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01379	1.8
59.95386	0.4
60.62782	0.4
61.98742	0.4
62.71846	0.4
82.73013	0.4
100.43030	0.5
117.34843	0.5
181.08719	9.8
194.92053	0.5
215.74951	0.6
237.14938	0.6
270.08960	2.1
285.20798	0.6
299.16589	0.8
313.14389	0.7
315.16196	5.8
325.14548	1.8
328.13318	1.0
343.15536	100.0
343.24194	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	343.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60958	2.7
59.01373	5.6
61.93697	3.2
73.27877	3.2
81.91620	3.3
92.20059	3.9
108.66758	3.4
117.94987	3.9
124.07731	3.7
151.84781	3.2
152.61108	4.0
181.08707	27.7
209.19775	3.7
258.88132	3.9
289.18127	8.8
307.19083	8.2
328.13092	6.7
343.15567	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	343.1914
Annotation	Trigonochinene A
Peak:m/z	Relative Intensity
54.35599	0.6
59.01388	1.0
80.19560	0.7
105.28034	0.6
107.05064	2.9
119.63036	0.7
121.06583	4.1
123.08182	6.7
128.56694	0.6
181.08670	2.8
187.07655	19.0
188.08383	4.9
189.09218	4.4
233.89864	0.7
241.12334	32.1
269.15582	6.4
310.38303	0.7
311.16544	100.0
313.17892	0.7
328.13245	18.3
343.15366	16.2
343.19165	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Trigonochinene A
Peak:m/z	Relative Intensity
83.05008	1.5
91.19053	1.4
101.78280	1.4
107.05004	3.0
121.06569	6.3
123.08141	5.7
181.08662	2.5
187.07672	23.0
188.08357	2.5
189.09106	4.8
196.25412	1.7
225.22359	2.4
230.77293	1.8
241.12352	34.5
256.49033	2.3
269.15482	2.2
271.22815	33.0
284.14188	8.1
311.16556	100.0
313.14340	3.2
314.39493	1.7
328.13092	10.1
343.15326	29.6
343.19177	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
53.67128	1.4
54.93852	1.7
59.01382	2.7
59.32161	1.5
72.94769	1.3
111.86903	1.4
115.80836	1.3
118.82523	1.4
139.93486	1.6
153.20839	1.4
159.08220	1.6
181.08649	3.3
215.20049	1.7
231.10258	62.6
297.28098	2.6
313.14447	28.8
328.13287	5.2
328.16803	100.0
340.04886	1.6
343.15314	10.8
343.19165	96.0
343.28488	57.3
352.46674	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	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
56.61922	1.1
57.03455	1.4
62.91741	1.2
77.10011	1.2
77.16319	1.1
77.68953	1.2
97.06587	9.7
123.08106	2.0
125.09719	100.0
130.81444	1.6
139.11269	6.2
155.10802	1.8
159.10396	1.7
173.10289	1.6
173.11812	46.7
183.10184	1.5
187.09796	14.6
201.11588	1.4
281.21170	2.9
299.12997	1.7
299.16437	5.4
311.16513	3.1
325.14444	2.8
325.20218	1.9
327.16312	1.7
328.13135	5.9
328.16779	30.6
343.11990	3.4
343.15402	33.3
343.21188	81.9
366.74637	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91951	1.2
75.00874	100.0
99.31570	1.4
103.72062	1.3
129.94527	1.4
212.43492	1.6
223.20682	40.8
267.19638	33.0
285.20728	64.2
325.14514	2.5
328.13205	2.0
343.11984	2.3
343.15634	16.5
343.21381	65.4
343.28088	15.2
367.77475	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88271	0.8
53.21014	0.8
57.03436	0.9
59.01377	4.0
61.82719	0.9
61.95637	0.9
68.45987	0.9
83.04999	1.7
87.23053	1.1
92.20125	1.1
94.41612	1.0
99.08125	8.8
113.06052	2.2
121.10209	4.2
133.60242	1.0
139.11331	1.6
157.90921	1.1
165.12805	1.0
171.10275	29.8
175.11293	1.1
181.08710	15.3
191.40953	1.2
193.12364	18.0
211.13437	1.9
225.14964	22.9
230.09453	6.7
236.78517	1.0
243.15950	3.9
289.18073	15.1
293.21140	1.4
307.19110	2.4
315.16022	1.5
325.14337	4.0
343.15671	35.5
343.24893	100.0
343.28210	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.89248	0.7
59.01376	1.7
60.56836	0.7
68.03065	0.8
69.03454	1.0
72.63153	0.8
77.58642	0.8
85.02987	0.9
99.08161	4.0
121.10252	5.8
127.11323	1.5
131.69881	0.8
137.09723	1.2
151.11206	1.0
162.02510	0.8
168.70439	1.0
171.10269	43.8
181.08672	10.3
186.31960	1.1
193.12344	10.9
211.13454	3.7
225.14992	12.2
230.09471	1.3
243.15941	4.2
293.21005	1.1
303.12360	3.6
313.14539	3.3
314.70361	0.9
325.14548	1.3
343.15656	25.3
343.24899	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37177	1.2
59.01374	2.5
62.80916	1.1
69.64972	1.2
75.94184	1.2
94.06508	1.2
121.10219	10.3
126.74712	1.4
127.11328	1.4
128.78152	1.1
137.09637	1.3
139.11259	2.1
171.10268	77.6
181.08696	17.8
182.10881	1.4
183.25307	1.3
263.78171	1.3
294.44098	1.3
299.16800	1.5
311.16418	11.4
343.15750	21.3
343.19394	7.9
343.24875	100.0
366.87222	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	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
59.01389	0.9
67.73879	0.8
95.71748	0.7
102.43227	0.7
106.97092	0.7
122.24186	0.8
133.72285	0.7
141.12825	1.7
161.04271	0.8
171.13867	2.8
183.13969	1.1
199.13402	1.7
203.25021	1.0
229.14467	1.0
230.06003	0.7
307.26364	3.1
323.25650	1.4
325.27512	17.3
341.26892	7.9
343.15289	4.1
343.28543	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	343.2855
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
65.09523	1.5
72.97201	1.4
72.99300	35.1
75.00878	26.7
75.76824	1.6
79.99276	1.5
107.14430	1.6
136.28391	1.5
164.94907	1.9
188.30370	1.6
188.54498	1.7
268.19638	1.7
276.74487	1.6
343.14102	1.9
343.28558	100.0
347.21152	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	344.195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79559	1.0
60.05666	1.0
68.58079	1.1
93.30854	1.1
124.59195	1.2
134.71652	1.2
148.56599	1.1
160.34108	1.2
222.04697	1.2
231.10307	19.7
232.10591	42.2
232.12802	2.2
274.71240	1.2
313.14355	4.2
314.14804	26.3
328.16757	4.7
329.13846	2.5
329.17142	92.8
344.16006	5.1
344.19510	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	345.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98551	1.6
59.01385	11.7
70.31657	1.6
71.01378	2.7
76.56104	2.0
80.84620	1.9
89.02430	2.6
92.91747	1.7
95.05039	2.0
95.93082	1.9
101.02431	1.9
109.02943	11.4
111.42345	2.0
113.02435	2.5
121.02924	9.4
123.04504	9.8
124.01578	2.4
133.02934	10.3
137.02446	17.8
139.03963	19.0
148.01604	1.9
149.02440	33.9
151.04004	11.1
161.02446	35.1
163.00386	23.6
164.01152	7.1
165.00568	2.8
165.01941	74.9
165.05614	2.4
165.09192	2.2
167.03532	3.3
168.04297	7.6
176.01120	19.6
177.01941	100.0
182.02113	4.2
183.02946	4.1
183.06682	15.7
190.02701	10.9
193.01375	2.2
202.99892	9.2
204.00644	4.5
205.01369	10.5
218.02147	8.6
238.94879	1.9
246.97346	1.9
247.06178	3.3
254.09253	2.5
268.48715	2.1
283.06360	2.0
309.04056	9.9
317.06665	10.4
327.05133	63.8
345.07932	13.9
345.11920	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	345.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71375	2.1
59.83122	1.9
77.64624	2.3
79.13744	2.1
80.62068	2.1
93.03394	2.4
97.80565	2.1
99.76753	2.2
109.02935	10.3
113.02455	5.1
121.02911	4.3
123.04508	12.7
125.02415	2.2
129.14362	2.3
133.02913	3.9
137.02457	10.5
146.03857	2.1
146.17427	2.1
149.02435	34.0
151.03998	4.3
161.02437	36.0
163.00366	20.7
164.01118	3.6
165.01921	70.6
167.03511	3.4
176.01190	18.8
177.01933	100.0
183.03026	4.3
190.02747	9.8
193.01535	2.2
195.62741	2.4
202.82397	2.1
202.99872	3.1
204.00793	2.2
205.01476	4.9
218.02191	9.0
309.03961	5.0
317.06668	12.1
327.05069	55.5
345.08252	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	345.083
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01382	6.2
71.01389	3.0
89.02441	3.4
101.02469	1.3
103.05561	5.0
104.00104	0.7
106.04262	2.9
109.06597	1.1
113.02472	0.8
119.05083	0.8
121.06546	7.1
124.01662	16.3
137.02467	0.7
137.45631	0.7
139.04024	13.3
165.01900	0.8
165.05556	5.8
166.99823	1.3
167.99225	1.7
168.00650	47.6
182.02190	3.4
183.02997	100.0
204.29680	0.9
276.37460	0.7
287.00735	0.8
333.32217	0.8
345.08334	38.0
345.11899	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	345.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.5
59.01385	100.0
71.01382	50.3
74.65203	1.3
78.95908	3.2
85.02941	8.2
89.02438	48.6
93.03446	1.8
95.01376	2.2
101.02435	25.7
112.67557	1.4
113.02451	19.9
119.03493	18.3
119.04976	1.7
121.02955	24.9
135.04462	2.0
137.02505	1.6
139.04022	6.4
143.03522	2.0
161.04527	1.7
165.01930	16.5
179.05635	1.8
183.02914	1.5
235.39410	1.7
302.00443	1.7
328.61313	1.5
345.08249	33.4
367.20660	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	345.0982
Annotation	Agestricin D
Peak:m/z	Relative Intensity
59.01377	4.0
70.64108	1.3
71.01365	2.5
75.40129	0.9
76.78784	1.0
77.43004	1.0
81.03437	2.2
89.02447	1.2
93.03453	6.1
95.01353	2.4
95.05028	1.8
97.02944	6.9
101.02487	1.5
113.02452	2.1
114.48430	0.9
115.78434	1.4
119.05000	2.2
123.04511	12.5
125.02436	28.6
135.04527	1.8
136.57120	1.2
137.02477	5.9
137.06102	5.0
149.06113	1.3
151.04001	1.5
153.05571	1.4
155.03485	4.6
166.02753	1.9
167.03494	60.4
177.05522	1.5
179.03506	30.1
179.04956	2.0
180.04236	1.1
180.89801	1.2
189.05745	1.2
193.05034	6.3
197.04553	11.2
221.04492	2.6
239.05556	2.1
240.43481	1.2
253.17506	1.1
255.06357	1.3
273.07779	17.4
285.07672	8.1
297.38602	1.2
327.08859	1.3
345.09824	100.0
345.16190	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59576	0.8
77.54115	0.8
82.55883	0.9
86.40468	1.0
99.00880	1.2
100.29205	0.9
122.06130	2.0
124.07669	14.8
132.03545	1.1
132.04546	33.2
133.05338	46.1
134.06097	5.3
148.04140	1.0
165.04349	6.2
177.04286	7.0
178.05180	1.2
186.09244	1.7
200.77022	0.9
208.60449	0.9
212.10547	1.0
213.06714	0.9
214.12354	6.2
215.11899	8.9
229.09796	4.7
240.10381	1.4
241.09853	3.8
257.12985	19.3
271.68887	1.0
283.10840	9.2
301.12015	7.4
345.10934	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	345.1094
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.18952	1.0
65.80422	1.1
67.55156	1.0
78.24401	1.1
92.19504	1.2
106.06628	1.2
122.06132	1.7
124.07665	22.3
132.04561	45.1
133.05331	63.2
134.06093	9.0
148.17542	1.0
165.04323	9.8
177.04311	9.6
178.05054	2.0
186.09265	2.2
209.03249	1.8
213.06717	2.0
214.12370	9.9
215.11835	10.7
229.09769	5.8
240.10245	1.2
241.09816	4.9
257.12982	19.0
283.10883	7.9
301.11960	15.4
312.10034	1.2
327.09790	1.2
345.10910	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	95.3
71.01385	6.8
71.05032	1.6
85.02940	2.5
93.03453	9.8
97.02970	2.7
98.12475	1.7
101.02458	2.6
107.05044	2.1
118.41914	1.6
119.05012	2.7
121.02921	2.8
123.00874	2.3
123.04524	100.0
124.01641	13.4
125.02389	2.3
134.03748	12.2
135.04527	88.7
137.02448	29.0
139.04012	51.4
147.04486	3.9
147.06598	3.4
149.02405	3.2
161.04567	9.2
165.01952	8.2
165.05589	10.4
166.99855	21.4
167.92537	1.7
168.00626	7.1
169.01457	2.9
183.03027	14.1
183.06584	7.5
285.09802	3.9
297.09933	6.8
330.05875	3.6
345.08386	42.7
345.12122	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	345.1192
Annotation	6beta-Hydroxyantirrhide
Peak:m/z	Relative Intensity
57.60883	1.2
58.58306	1.2
59.01389	43.9
71.01378	26.4
72.40491	1.3
85.02943	2.5
89.02445	26.0
91.45036	1.3
91.65957	1.7
93.03414	1.7
101.02457	13.6
113.02436	8.5
119.03493	7.6
137.02454	3.0
138.03229	13.7
139.03961	2.7
149.02419	1.5
150.03218	18.3
153.01942	1.7
153.05562	22.9
165.01900	7.7
165.05574	31.3
167.03545	1.5
168.04274	44.6
177.01945	3.0
180.04315	2.8
182.02205	2.1
183.01357	1.7
183.02992	8.5
183.06631	100.0
195.06628	1.8
345.08041	9.2
345.11957	54.1
345.15704	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	345.1192
Annotation	6-Deoxycatalpol
Peak:m/z	Relative Intensity
54.44999	0.6
55.99007	0.6
59.01384	26.0
61.98846	0.9
70.00054	0.6
71.01381	13.6
71.16545	0.6
76.88836	0.7
78.95889	1.5
80.17852	0.6
85.02950	3.9
87.00874	0.8
89.02438	17.9
95.01373	1.2
101.02467	7.6
109.02947	1.2
112.98767	0.9
113.02460	6.2
119.03476	7.7
119.05012	8.7
121.03007	4.6
123.04501	0.9
135.04524	100.0
137.02391	0.9
139.00369	0.7
139.04024	6.6
143.03447	0.7
147.04515	9.3
149.02466	0.9
151.03946	0.8
156.51289	0.6
165.01944	4.2
165.05528	3.8
179.05598	3.4
183.02983	1.4
183.06633	23.1
220.79382	0.7
240.96765	0.8
281.24780	0.6
305.02133	0.8
327.10767	1.4
330.84363	0.8
345.08301	8.2
345.12347	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	345.1192
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.88697	0.4
54.38337	0.4
55.24316	0.4
59.01381	1.1
70.75025	0.5
75.38387	0.4
76.24235	0.5
109.02928	0.7
121.02945	0.6
123.04504	3.0
135.04474	0.6
137.02464	1.1
138.03226	14.8
139.04044	0.9
149.02470	0.9
151.03996	0.5
153.05560	18.9
161.02452	0.9
163.00385	0.6
164.98384	0.6
165.01923	3.1
165.05623	0.7
168.04269	54.6
177.01863	3.9
182.99384	1.7
183.06618	100.0
191.22847	0.5
198.01706	2.0
205.62479	0.6
265.04895	0.6
265.11987	0.6
282.32471	0.5
327.05188	2.1
345.08136	1.9
345.11923	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	345.1193
Annotation	6beta-Hydroxyantirrhide
Peak:m/z	Relative Intensity
52.98217	1.8
59.01385	44.2
65.03959	2.1
71.01393	19.2
72.40480	1.9
76.79674	2.3
80.02681	8.7
89.02466	21.4
92.64954	2.2
95.29011	2.6
101.02445	11.3
103.05533	37.8
106.04238	27.5
113.02436	8.7
119.03474	8.1
119.05037	3.5
121.06595	52.3
123.04472	3.2
124.01640	14.3
134.20763	2.2
139.04005	13.2
165.01936	3.0
165.05560	50.6
166.99840	2.4
168.00650	36.7
168.04300	8.5
177.01897	4.3
182.02155	4.4
183.03000	100.0
183.06583	18.9
282.12546	2.1
345.08151	32.4
345.11987	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59405	2.6
58.79200	2.6
59.01373	10.9
62.15918	2.8
71.01369	3.7
89.02483	3.2
89.86674	3.6
114.01179	2.9
118.67762	3.3
124.07659	16.0
129.50369	3.6
132.04530	32.7
133.05347	57.2
145.02869	5.8
165.04327	12.1
167.07066	10.7
170.97568	3.0
177.04324	5.1
181.08730	4.2
209.08183	5.4
214.12347	14.5
215.11879	7.3
241.05069	3.3
253.04942	3.1
255.06709	4.6
256.11032	7.4
257.12982	20.9
267.06793	3.9
269.07983	3.2
283.10327	4.8
284.10522	17.6
295.09662	13.8
296.10654	26.2
297.11417	3.3
300.06967	4.3
300.10052	61.4
301.12036	14.3
311.09283	20.6
312.10040	90.3
315.12405	66.0
327.12381	100.0
345.10535	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1344
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
53.61800	1.3
59.01385	100.0
59.01686	3.6
68.12912	1.6
71.01383	65.4
72.55698	1.4
73.02943	2.1
78.36926	1.6
83.01385	2.6
84.68835	1.4
85.02955	19.8
86.60811	1.4
89.02444	71.2
95.01353	3.1
101.02442	37.7
113.02441	24.7
119.03497	23.8
121.02934	6.1
122.03690	2.8
133.01828	1.9
134.03735	24.2
135.04521	9.7
143.03496	3.3
146.03723	24.7
149.04753	2.2
149.06075	36.9
161.04694	3.7
161.06076	18.7
162.03249	6.4
164.04781	16.2
165.05598	16.2
165.09209	99.4
166.06360	23.9
167.07130	63.0
177.05580	2.4
178.83411	1.6
179.05594	13.7
179.07137	44.7
315.12228	8.0
327.12372	7.1
345.15891	45.9
350.17291	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	345.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59405	2.6
58.79200	2.6
59.01373	10.9
62.15918	2.8
71.01369	3.7
89.02483	3.2
89.86674	3.6
114.01179	2.9
118.67762	3.3
124.07659	16.0
129.50369	3.6
132.04530	32.7
133.05347	57.2
145.02869	5.8
165.04327	12.1
167.07066	10.7
170.97568	3.0
177.04324	5.1
181.08730	4.2
209.08183	5.4
214.12347	14.5
215.11879	7.3
241.05069	3.3
253.04942	3.1
255.06709	4.6
256.11032	7.4
257.12982	20.9
267.06793	3.9
269.07983	3.2
283.10327	4.8
284.10522	17.6
295.09662	13.8
296.10654	26.2
297.11417	3.3
300.06967	4.3
300.10052	61.4
301.12036	14.3
311.09283	20.6
312.10040	90.3
315.12405	66.0
327.12381	100.0
345.10535	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	1,7-bis(3,4-Dihydroxyphenyl)-5-hydroxy-3-heptanone
Peak:m/z	Relative Intensity
52.26984	0.6
54.85723	0.6
55.25653	0.6
55.43270	0.5
61.34676	0.7
95.11219	0.6
121.02948	7.6
122.03721	6.8
124.01664	0.8
134.03754	16.1
135.04517	13.7
137.06108	0.8
146.03728	20.8
149.06082	26.2
158.04770	0.7
161.06081	14.2
162.03210	12.3
163.04106	2.5
164.04803	18.9
165.05557	13.1
166.06342	22.6
167.07135	100.0
177.05591	7.9
179.07138	47.6
179.08723	1.0
243.10275	0.9
258.01770	1.0
283.13269	1.3
283.16779	0.7
301.14429	2.7
301.18106	2.9
315.12436	7.0
315.15735	1.7
327.12317	5.4
327.15799	0.8
345.02451	1.1
345.06189	0.9
345.13354	9.2
345.17160	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.50859	1.7
59.01097	4.1
59.01386	95.9
65.82938	1.9
68.70002	2.0
71.01374	43.0
72.99319	2.1
73.02950	3.5
85.02937	11.7
86.00042	2.0
87.00848	2.6
87.54749	2.3
89.02438	51.7
95.01385	3.4
101.02454	31.0
113.02441	18.3
119.03521	15.1
121.10220	3.6
123.00637	2.0
130.86307	2.0
165.09200	2.5
179.05667	3.4
183.10310	2.4
192.18323	2.5
197.98557	2.3
301.16623	2.7
335.93997	2.5
345.15649	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	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
59.01384	99.1
63.07393	5.3
71.01389	98.3
73.02951	32.5
83.01392	6.8
85.02943	38.9
89.02463	51.1
95.01404	8.0
99.00862	7.0
101.02428	73.0
113.02453	53.9
116.83965	4.5
119.03520	8.2
161.04523	27.7
179.05522	6.9
185.14027	5.2
186.44553	4.8
231.96048	4.9
301.16568	9.7
345.15573	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02524	0.9
57.03454	1.1
59.01388	36.1
68.54312	1.0
71.01376	19.4
72.28556	1.3
73.02950	2.0
83.01385	1.6
85.02952	6.9
89.02448	15.0
92.71481	1.1
95.01340	1.2
98.38811	1.1
101.02442	13.6
103.63641	1.2
106.06619	4.9
113.02455	9.0
119.03516	4.9
122.06104	1.7
124.07675	16.2
132.04547	38.6
133.05339	61.2
133.06351	2.0
134.03726	5.7
134.06111	6.7
135.04517	1.4
146.03716	2.6
149.06079	9.6
150.05504	1.4
161.06088	4.5
164.04755	2.0
165.04349	13.7
165.05583	1.8
166.06346	5.2
167.07144	9.5
168.84830	1.2
177.04282	7.9
178.05078	2.0
179.07129	5.2
186.09224	4.4
209.03346	1.2
213.06802	1.4
214.12390	9.1
215.11902	12.1
229.09850	5.2
230.64703	1.2
241.09918	1.4
257.12994	17.1
283.10748	8.3
301.11917	13.4
345.10904	100.0
345.15524	50.8
346.08438	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	345.1557
Annotation	Arg Gly Asp
Peak:m/z	Relative Intensity
53.45987	0.7
57.03450	3.2
59.01378	6.1
71.01388	11.8
72.99293	0.9
73.02979	0.9
75.00872	34.6
83.01391	1.1
85.02952	27.4
87.00867	4.3
95.01384	3.2
96.56596	0.9
99.00880	3.1
109.02946	1.2
111.08099	0.8
112.01669	1.7
113.02454	19.1
125.02466	1.1
126.61180	0.7
129.01973	1.7
151.04048	1.4
165.01918	1.3
175.02493	0.9
182.83427	0.8
193.01518	0.9
224.39952	0.8
258.01730	1.3
273.03925	1.0
285.13437	1.0
315.08261	0.9
327.05103	1.7
345.06750	5.4
345.15558	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.10808	2.2
59.01385	22.0
64.63768	2.8
71.01376	23.1
71.68547	2.4
73.02952	11.4
73.18243	3.5
83.01385	10.3
85.02932	19.5
89.02425	4.1
99.00872	3.6
101.02444	37.6
109.16792	2.6
111.07663	2.6
113.02448	12.1
125.02485	2.8
159.51996	3.0
161.04478	3.1
183.10233	5.1
301.16495	5.3
345.15625	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	345.1556
Annotation	Arg Gly Asp
Peak:m/z	Relative Intensity
55.01896	0.6
57.03460	5.1
59.01384	2.5
59.63784	0.6
63.25034	0.5
71.01383	4.0
72.99323	2.3
75.00876	33.5
83.01410	1.1
83.56519	0.6
83.78832	0.6
85.02950	33.0
87.00880	1.3
95.01379	3.8
96.59638	0.6
97.02950	1.0
99.00877	3.1
112.01701	0.7
113.02451	15.6
115.00268	0.8
120.63984	0.7
125.06464	0.7
129.01936	1.1
157.01460	0.7
229.05051	0.9
281.15924	0.7
285.13513	0.9
327.14648	0.9
345.06393	2.4
345.15579	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	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.82594	0.6
57.03458	4.8
57.83852	0.5
59.01373	3.4
59.01632	0.6
68.26686	0.5
69.03470	0.5
71.01388	6.3
72.99312	1.0
73.02948	0.8
75.00875	33.4
83.01373	2.1
84.51355	0.5
85.02949	29.8
87.00871	2.5
93.76054	0.5
95.01377	4.4
97.03891	0.5
99.00878	2.3
107.95759	0.5
109.02955	0.7
112.01667	1.3
113.02435	15.1
116.01144	2.3
117.01968	0.9
123.04543	0.5
129.01915	0.5
138.01990	0.6
139.04018	3.2
157.01509	0.6
165.01933	0.6
185.06050	0.5
211.13493	0.6
241.05080	0.9
301.03751	0.7
301.07187	1.0
303.00775	0.5
327.14590	1.2
345.06747	5.0
345.15591	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01850	0.7
57.03448	4.0
59.01384	3.6
60.67167	0.7
61.55318	0.7
69.03441	1.0
71.01393	6.6
75.00437	1.2
75.00874	35.4
82.69445	0.8
83.01345	2.6
85.02956	35.7
87.00880	1.0
92.19515	1.6
95.01403	3.6
99.00871	1.8
103.12401	0.7
109.02917	0.9
113.02444	20.3
117.01929	0.8
121.02985	1.7
124.01658	6.8
126.05913	1.0
133.02930	1.0
136.01669	5.3
139.00433	1.0
139.03009	1.5
139.04024	35.0
139.11224	1.2
151.04025	4.1
157.01462	1.0
161.21315	0.8
164.01169	2.0
165.01920	4.0
167.07156	1.0
179.03539	1.7
183.02885	1.5
240.04434	1.0
241.05151	3.0
242.05817	1.0
243.13928	1.4
257.04678	0.9
257.08423	1.0
258.01718	5.9
258.05020	0.8
268.03830	1.2
269.04239	1.0
273.04202	6.3
273.07599	6.5
277.55914	0.9
285.13446	0.9
286.01660	0.9
286.04749	1.1
286.85864	0.9
301.03860	1.1
301.07147	5.1
327.14667	1.2
345.02328	2.5
345.06207	20.9
345.15594	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	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12455	0.4
55.85103	0.3
92.20155	0.8
99.36774	0.4
116.01675	0.5
125.81741	0.5
217.08643	2.6
229.08626	0.6
230.09361	0.5
251.52278	0.5
314.15271	0.5
315.16040	82.6
334.61804	0.5
345.17081	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	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01253	0.2
50.14318	0.3
58.04677	0.2
64.37461	0.2
65.72307	0.3
68.34180	0.3
77.97352	0.3
78.77939	0.3
88.56972	0.3
101.31664	0.3
110.91477	0.3
135.50142	0.3
174.91101	0.3
207.15434	0.3
220.68417	0.3
287.12857	5.5
315.15939	2.0
327.15942	2.9
345.17075	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08097	0.4
59.89284	0.4
88.93390	0.5
159.41364	0.4
184.55435	0.5
217.08838	0.5
275.12390	0.4
275.96930	0.5
299.16516	37.0
315.15955	7.4
317.17593	29.1
330.18408	8.7
343.15454	3.3
345.17093	100.0
345.20718	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	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30664	0.3
60.17516	0.4
60.78693	0.5
61.53460	0.3
65.27334	0.3
68.32845	0.4
71.76617	0.5
71.80714	0.4
97.35157	0.4
99.93517	0.4
105.02838	0.4
136.28221	0.3
265.43402	0.4
282.46481	0.6
283.16995	0.6
284.14203	2.6
299.16400	0.8
301.03638	0.4
301.14673	0.4
301.18054	0.9
312.13739	2.4
315.16074	5.2
327.16003	6.4
343.15588	0.4
345.17081	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	345.1708
Annotation	PF-622
Peak:m/z	Relative Intensity
52.52535	0.3
53.88855	0.3
57.28110	0.3
58.05561	0.3
61.58999	0.3
136.37343	0.4
231.37790	0.4
245.08171	0.6
264.14478	0.5
271.85962	0.4
310.64053	0.4
313.18195	5.1
315.16101	0.8
329.14059	0.6
330.14740	2.8
345.17087	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	345.1708
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
55.39275	0.3
59.77258	0.4
67.24274	0.4
85.24617	0.4
93.23857	0.4
114.71891	0.5
215.69937	0.4
245.15512	0.8
284.14169	5.8
297.11438	0.4
299.17056	0.6
301.18033	0.9
312.13693	29.5
327.16122	3.4
330.14835	1.0
339.77939	0.4
345.17090	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	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22705	0.5
59.66589	0.6
64.24459	0.7
88.03705	0.6
113.97292	0.8
120.83366	0.8
151.00447	0.9
227.14384	1.6
233.11816	1.7
245.15431	1.8
247.88889	0.6
254.13194	6.7
255.13930	28.2
256.03989	0.9
258.08829	0.9
273.14984	6.4
283.17044	5.0
299.16574	1.6
301.11160	0.8
302.04410	1.3
315.16064	12.1
317.17694	3.2
330.14752	27.5
330.18469	13.2
345.17099	100.0
345.20782	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31610	0.6
66.32824	0.7
85.06573	3.1
101.52149	0.6
135.19077	0.8
167.03537	1.2
180.13832	0.8
182.07568	0.8
211.26924	0.7
251.43044	0.8
253.12242	1.0
257.19034	1.4
258.12643	5.8
268.14651	7.2
271.16989	3.1
283.17072	1.1
299.42319	0.7
301.03598	1.0
301.14465	3.5
301.18039	32.9
315.01505	3.2
315.16043	8.5
327.12430	1.0
327.15857	5.3
330.04022	1.3
345.06030	3.5
345.13605	4.6
345.17084	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	345.2071
Annotation	Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Peak:m/z	Relative Intensity
51.08137	0.4
53.33475	0.4
53.36697	0.4
55.16882	0.3
65.23672	0.4
86.83711	0.5
87.22134	0.5
88.85826	0.5
91.27724	0.5
115.82492	0.4
124.28062	0.5
214.10057	0.9
215.10844	1.0
241.29256	0.5
245.08279	0.5
259.10016	0.5
286.95233	0.5
287.09787	0.5
309.20776	0.9
313.18124	58.3
326.56506	0.5
330.14856	1.6
345.17090	100.0
345.20844	18.2
357.92587	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	345.2073
Annotation	Methyl ent-6,16-dioxo-7,13Z-labdadien-15-oate
Peak:m/z	Relative Intensity
53.93169	0.3
66.10368	0.3
81.88025	0.3
101.05047	0.3
140.90666	0.3
214.10005	1.9
215.10852	2.5
216.07928	0.4
298.15891	0.4
309.14771	0.6
313.18130	100.0
315.16098	5.2
315.19470	0.8
317.17438	0.4
327.15982	1.9
345.17007	19.2
345.20798	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	345.2072
Annotation	Calycanthine
Peak:m/z	Relative Intensity
50.94131	1.5
57.35821	1.3
58.89677	1.3
73.71100	1.2
77.65692	1.5
80.47939	1.2
88.23634	1.3
91.27136	1.5
153.64864	1.4
160.37036	1.4
199.11917	1.6
203.83765	1.6
214.10092	1.7
215.10852	9.7
231.66023	1.6
233.11819	19.3
297.15082	12.7
299.16589	3.0
301.17990	2.2
312.13678	10.5
312.17355	13.1
315.16037	28.6
317.17651	2.5
327.16116	2.1
330.18372	100.0
345.13055	3.7
345.13895	3.4
345.16962	81.6
345.20770	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2073
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
50.25684	0.6
52.21310	0.6
58.48778	0.8
59.68417	0.6
70.45767	0.7
82.03011	0.6
115.05203	0.8
116.69593	0.6
135.69902	0.7
143.50241	0.8
231.10387	0.8
299.16574	13.6
301.18057	1.7
315.16064	49.7
317.17599	11.4
327.15848	0.9
330.18387	100.0
343.15915	2.2
345.16971	64.2
345.20764	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03424	0.6
94.13733	0.7
125.09710	1.4
130.85583	0.7
139.11241	2.3
155.10768	1.1
171.10332	1.0
203.10835	0.9
229.08699	1.1
230.09442	3.1
231.10226	1.6
247.09737	11.1
247.20711	17.3
247.24672	0.7
253.21710	0.9
257.08121	3.8
258.08838	5.0
265.21707	13.0
273.14743	0.8
273.18695	0.9
283.22748	1.6
285.20743	2.9
291.19608	8.4
299.16577	1.4
301.03537	0.8
301.14563	7.2
301.17780	1.2
306.19409	0.7
309.20758	23.4
315.16022	4.5
327.12320	3.1
327.15750	3.4
327.21774	26.1
345.13376	16.9
345.17059	24.4
345.22800	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	345.28
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
50.88690	0.7
54.90934	0.6
55.11086	0.6
56.39276	0.7
58.34489	0.6
66.78689	0.6
67.57864	0.8
71.01340	0.7
83.11601	0.8
91.30978	0.6
99.06631	0.6
119.40109	0.7
140.74327	0.7
283.20215	0.8
321.69229	0.7
345.28003	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77788	0.5
57.58511	0.5
59.01385	16.3
60.01713	2.5
61.98837	100.0
75.89717	0.5
93.08995	0.6
106.15350	0.5
160.01642	1.2
174.23517	0.6
174.99226	2.8
201.02592	2.5
202.02739	8.3
202.98764	3.6
203.02342	7.7
204.00018	46.0
204.02751	2.9
346.00519	4.3
351.96097	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	346.0559
Annotation	Adenosine 3'-monophosphate From Yeast
Peak:m/z	Relative Intensity
56.42168	0.4
58.55798	0.4
59.01390	0.4
61.26811	0.4
62.96465	0.5
70.39307	0.4
78.95908	100.0
84.74451	0.6
94.24687	0.6
96.96958	32.6
99.34074	0.5
106.49648	0.5
134.04729	17.5
138.97968	0.8
150.98015	3.3
161.02632	0.5
175.13300	0.6
192.99139	0.8
211.00089	2.9
229.70261	0.5
251.84396	0.5
341.07135	0.5
346.05591	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	347.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83521	3.7
81.03483	4.7
83.01384	6.0
92.20074	5.0
92.58382	3.9
109.02951	10.0
113.60680	4.4
123.04503	21.5
125.02451	100.0
127.03989	6.4
137.02449	5.1
139.03987	17.0
149.12770	4.6
151.00348	6.8
151.03998	10.7
152.01068	4.4
153.01917	6.5
163.00410	9.5
165.01950	44.8
166.02721	9.2
167.03497	38.3
169.01390	31.6
169.05083	37.0
175.04012	19.1
177.01978	8.8
178.99873	25.8
195.02954	5.4
195.16954	5.6
201.01796	4.7
206.99345	5.8
217.04941	6.1
221.00931	35.9
222.01700	23.8
223.02472	8.5
240.40967	4.6
243.06468	4.6
247.05984	8.0
257.04477	7.4
273.11270	6.0
274.08417	25.0
277.07053	5.9
285.03943	10.0
302.08035	21.5
303.05075	9.5
303.08875	4.3
317.06934	6.4
329.03055	14.3
329.06693	18.1
332.02921	5.3
334.07062	7.2
347.04028	53.4
347.07672	95.8
347.11386	95.6
347.15018	16.4
347.18594	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	347.0409
Annotation	aflatoxin B1 dialdehyde
Peak:m/z	Relative Intensity
54.12334	0.6
57.93446	0.7
59.01392	2.8
60.35052	0.7
62.01150	0.8
71.01392	1.3
75.32066	0.9
111.04585	0.9
122.02818	1.0
123.04478	1.6
135.04530	0.9
139.04034	0.8
154.99837	1.0
156.95691	0.8
163.04088	1.1
167.03477	1.4
169.01448	1.0
170.02213	4.5
171.04466	1.1
173.02385	1.3
185.04568	3.8
187.03993	5.1
199.04002	1.1
201.01920	4.3
205.01314	1.0
206.02219	0.9
214.02675	3.6
215.03505	4.9
217.01373	1.6
219.02881	1.9
225.01894	1.2
226.02792	1.2
227.03604	1.3
232.03857	1.3
234.01663	5.2
241.01451	8.4
242.02310	2.1
243.02972	17.6
245.00893	1.1
257.98682	0.8
258.01743	1.1
259.02420	2.1
260.03229	8.9
269.00909	54.8
287.01984	100.0
319.04605	48.3
319.08368	1.5
347.04080	32.7
347.07837	4.3
347.13440	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	347.0775
Annotation	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
Peak:m/z	Relative Intensity
55.03064	1.9
59.01376	5.3
60.52575	2.3
65.95065	2.3
81.03481	3.7
91.19128	2.4
95.05054	4.0
96.95991	3.7
97.02937	14.8
107.05058	2.5
107.36583	2.6
109.02975	35.3
111.04523	4.4
121.02922	4.2
121.75729	2.4
123.04510	28.5
125.02454	4.7
135.04539	10.0
139.03978	21.3
149.02432	11.7
151.04022	26.6
161.02391	3.4
161.06108	4.4
162.03146	4.1
163.00362	3.4
163.04056	3.1
165.01903	2.6
167.03465	14.5
168.83240	3.1
175.03986	5.9
179.03401	8.5
187.03952	4.2
193.05066	4.3
203.07280	3.7
205.05008	6.1
217.08684	3.1
231.02873	2.4
243.02945	4.8
259.09714	11.6
285.03879	3.2
285.07562	3.2
299.05588	5.2
303.05219	10.2
303.08853	12.6
317.06726	10.1
329.03098	4.6
329.06647	19.9
347.04031	12.5
347.07758	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	347.0774
Annotation	Dryopteric acid
Peak:m/z	Relative Intensity
57.96198	2.5
59.01383	3.8
59.78342	2.5
61.29141	2.3
61.51682	2.6
68.57436	2.6
75.00867	17.1
75.63013	2.3
85.02948	12.1
97.02927	16.7
104.32455	3.2
109.02943	33.3
109.06577	2.9
111.04498	4.6
113.02410	3.9
119.45895	2.8
121.02931	3.6
123.04543	25.2
125.02450	17.1
134.80818	3.4
137.06067	10.5
139.03979	20.7
149.02390	11.8
151.04033	28.9
161.06107	3.2
163.04015	3.2
165.05600	4.7
174.06836	4.1
178.02763	5.3
178.36630	2.9
179.03433	6.3
180.04283	3.8
188.04747	2.9
189.09247	6.3
193.05049	4.0
203.07117	6.1
205.05112	4.0
217.08760	5.2
217.12265	3.2
227.14369	3.2
243.02977	3.1
257.04575	3.2
259.09677	13.7
259.13483	2.8
285.04117	10.6
285.07553	2.8
303.05350	3.7
303.08731	16.6
329.03168	3.6
329.06720	14.8
347.03967	33.2
347.07721	100.0
347.11459	10.3
347.17175	29.7
352.63181	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	347.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25937	0.8
57.03443	1.1
59.01402	1.6
59.89332	0.8
67.74272	1.0
68.23547	1.0
71.01395	1.6
73.02942	16.3
78.95934	1.5
79.43768	1.0
83.05016	4.9
84.35572	1.1
84.40038	1.0
85.02945	6.7
89.02444	2.0
93.03459	30.0
99.00885	5.2
99.04533	4.2
101.02452	5.2
105.15551	1.0
111.00854	4.8
111.04517	24.9
123.04524	2.0
129.01920	4.3
133.01434	1.3
135.02965	1.3
137.02420	15.7
143.03506	2.5
146.71217	0.9
149.04630	1.2
154.99866	2.4
155.03503	11.8
161.04480	1.3
163.58046	1.1
167.03494	22.5
173.01053	2.7
173.04546	100.0
184.97687	1.0
191.05614	5.4
204.75029	1.0
231.03510	2.4
286.99823	1.2
287.02597	11.9
302.89896	1.1
347.07712	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	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
59.30172	0.5
71.01382	4.9
73.02959	0.6
85.02939	0.9
88.16241	0.6
89.02430	1.3
94.14320	0.6
98.69981	0.6
101.02440	3.6
113.02422	0.9
124.01656	11.8
138.75418	0.7
139.04016	100.0
161.04541	6.3
163.04086	0.6
227.26653	0.6
238.92564	0.7
301.09341	12.9
347.13550	3.9
356.68274	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46236	2.1
59.01389	100.0
71.01383	55.6
85.02959	14.2
89.02439	69.0
95.01401	3.6
101.02437	28.3
113.02448	24.1
119.03480	23.8
125.02418	16.1
143.03543	5.0
152.01135	3.7
167.10754	13.8
179.05602	6.2
206.89243	2.7
261.07648	3.1
299.16513	25.7
303.16171	3.5
303.19702	3.0
307.50409	2.7
311.16388	4.7
315.05270	3.6
319.08289	4.3
329.17587	41.5
329.21210	4.1
347.03967	2.9
347.07758	18.0
347.18747	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.28042	1.1
59.01384	100.0
71.01382	46.5
72.99285	1.5
78.56178	1.4
83.01408	1.9
85.02940	7.7
88.21519	1.3
88.89319	1.3
89.02440	63.1
95.01330	3.3
95.49204	1.6
101.02450	27.7
106.90618	1.3
113.02432	19.1
119.03491	20.7
128.20448	1.3
131.03496	1.4
143.03485	1.8
161.04588	2.8
167.03525	2.9
167.10767	12.7
179.05617	9.2
195.03001	1.8
285.14865	6.3
303.16110	6.1
329.17490	3.5
347.07782	5.2
347.17752	29.5
347.24445	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	347.1865
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
54.11009	0.8
57.18417	0.7
58.58131	0.9
61.69122	0.8
63.49567	0.8
92.08853	1.0
96.88923	1.0
161.18829	1.0
199.11282	11.8
201.09186	5.4
215.10800	8.0
217.12334	74.0
229.12289	1.2
245.15550	1.1
249.11218	1.3
257.15515	1.3
275.16516	18.6
303.19626	1.1
329.17560	9.9
347.18640	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	347.1865
Annotation	Japodagrin
Peak:m/z	Relative Intensity
52.38967	0.5
53.47684	0.6
56.71471	0.6
59.01374	1.0
60.55485	0.6
61.38648	0.7
85.06589	4.2
88.31478	0.8
92.19387	0.7
96.67671	0.7
150.52257	0.8
171.08125	1.3
173.22543	0.7
213.09198	1.8
214.10002	4.0
227.14354	1.5
242.09470	1.1
243.06497	0.8
255.13942	4.0
256.11026	1.1
267.13858	1.2
273.15036	1.5
285.14926	4.5
298.15695	1.6
299.16528	72.8
303.16125	1.3
303.19495	1.4
311.16577	3.5
329.17593	83.1
347.15009	8.2
347.18652	100.0
347.23856	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	347.1866
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
71.48650	1.2
92.62325	1.4
132.39151	1.2
151.61519	1.1
163.07652	11.2
175.18492	1.1
248.37471	1.1
257.19150	1.6
259.20599	4.4
260.14188	25.9
270.16232	17.7
274.09158	1.4
275.20248	1.4
285.18607	2.7
303.19666	86.3
321.20651	7.3
347.18652	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41268	0.3
60.83257	0.3
73.53746	0.4
75.53067	0.4
84.32107	0.4
109.87326	0.4
112.75168	0.4
137.40121	0.4
213.71323	0.4
224.17685	0.4
285.14926	0.5
317.17584	100.0
329.17572	0.7
347.15176	2.6
347.18655	71.7
348.74551	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	347.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98142	0.7
52.70797	0.7
59.97421	0.7
66.46044	0.7
73.44962	0.7
81.30991	0.8
83.35539	0.9
156.71748	0.9
165.09148	1.4
177.09192	1.0
227.10754	1.1
228.11565	6.8
234.57613	0.8
241.12468	1.5
243.54956	0.8
246.12642	5.5
247.13443	1.6
257.11844	1.6
259.13422	1.3
287.16544	1.4
311.16541	6.3
317.17523	31.1
329.13968	1.7
329.17569	18.6
347.15158	3.8
347.18643	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	347.1866
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
51.48851	1.1
88.99203	1.4
89.26537	1.3
91.21436	1.3
112.22523	1.2
154.08078	1.3
165.09178	7.7
205.71561	1.6
259.17014	5.6
285.18646	5.9
301.18073	2.3
303.16217	1.6
303.19708	8.2
311.79688	1.5
315.05118	1.5
329.17581	15.5
347.14917	11.5
347.18658	100.0
366.24265	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	347.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00735	0.6
58.75165	0.7
59.01373	1.4
79.27903	0.8
97.11155	0.7
99.08199	2.7
117.81596	0.7
121.86517	0.9
125.09698	0.9
127.11276	3.7
128.53874	0.9
129.09254	0.8
139.11290	4.2
141.09241	0.9
143.10744	1.2
155.10686	0.8
157.08740	1.4
171.10277	8.3
187.09818	1.8
199.13432	4.6
201.11319	16.9
211.13373	8.1
213.11281	0.8
215.12909	5.9
217.14420	4.4
225.16853	1.0
229.14470	3.4
245.36656	0.8
291.08408	0.8
303.19641	1.6
311.22171	1.2
329.23407	8.3
347.18805	8.6
347.24408	100.0
369.47421	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	347.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45408	0.6
57.03463	1.1
59.01383	56.1
59.01685	1.8
60.10926	0.8
61.97703	0.8
95.01389	1.2
96.33398	0.7
124.01699	1.6
125.02460	9.4
125.09666	0.9
129.09196	3.3
139.07596	1.0
151.00375	3.9
152.01167	19.7
153.12825	1.1
155.10764	6.4
165.01956	1.7
167.07133	25.0
178.99843	6.9
180.00661	3.2
237.18637	0.9
241.18108	1.2
272.37854	0.8
285.20847	4.5
287.22250	2.8
304.05820	1.1
329.23572	1.6
347.03458	1.4
347.07761	32.4
347.18747	6.8
347.24411	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	347.244
Annotation	Dodecyl glucoside
Peak:m/z	Relative Intensity
55.93929	1.0
59.01383	61.8
61.86489	0.9
69.86234	1.0
78.86816	1.2
93.19914	1.0
104.68089	1.1
105.27010	1.0
127.31142	1.2
129.09267	3.7
143.31374	1.3
155.10754	8.6
157.57622	1.0
159.10271	4.5
185.11763	4.1
239.29213	1.0
267.19824	1.1
283.22800	1.6
285.20755	8.6
287.22144	4.3
329.23462	1.6
331.16974	1.2
347.18329	3.5
347.24405	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	348.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99466	9.0
53.09279	8.0
53.15713	9.7
54.34632	10.1
58.67140	10.6
63.03574	9.7
73.25815	11.8
92.20041	20.5
102.02267	12.3
112.60379	12.5
348.15714	100.0
348.19376	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58099	0.7
59.01382	1.4
62.20354	0.6
62.72792	0.7
71.01370	1.1
85.02946	7.7
87.00880	1.4
87.56350	0.7
89.02412	1.4
92.20128	1.0
93.03447	1.6
111.00865	3.9
116.90075	0.7
127.04016	1.7
135.02979	0.9
142.01143	0.8
142.96625	1.4
156.98116	0.7
173.04485	0.9
182.99692	0.8
184.96098	1.5
184.97684	33.6
191.05626	90.1
199.02895	1.7
201.00676	1.0
202.98763	18.5
209.01292	2.8
210.99213	10.4
212.97089	3.9
226.98677	3.1
231.03516	0.9
233.03326	4.8
242.98125	1.1
251.00014	0.8
260.94174	1.1
271.01300	4.0
275.04236	0.8
289.02432	100.0
313.11362	5.5
349.04565	33.3
349.08878	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	349.0566
Annotation	Ibhayinol
Peak:m/z	Relative Intensity
50.60447	0.7
59.01381	1.6
71.01401	0.9
72.69726	0.7
77.89577	0.8
81.53366	0.9
89.02428	0.9
111.00903	1.9
125.02457	3.5
140.95757	0.8
153.02025	1.3
192.00697	1.0
193.01344	1.2
205.01433	1.0
221.00931	3.8
222.01671	3.9
227.03462	3.9
230.02243	1.3
245.00827	1.4
245.04465	1.3
246.01682	3.8
247.02438	7.8
255.02962	4.3
271.02451	3.2
272.03195	3.4
273.04086	3.5
274.01245	6.1
275.01935	3.6
287.05392	1.2
288.02753	7.3
289.03583	3.0
299.01978	3.5
317.03052	23.5
331.04663	4.8
349.05658	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	349.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53153	0.7
55.64024	0.7
56.61273	0.8
56.94136	0.7
58.93983	0.9
96.37734	0.9
115.45442	0.9
125.02454	5.4
138.03232	30.6
140.01157	1.0
153.05576	100.0
169.01404	11.8
177.02043	1.0
195.03064	1.6
197.04568	50.9
211.45058	0.9
261.07648	4.1
305.06635	1.0
349.05609	8.0
349.12894	3.1
349.16504	7.4
349.20245	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	349.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78814	0.8
67.01886	4.8
67.07767	0.9
71.01354	1.2
73.02950	1.1
75.88659	0.9
83.01392	2.3
85.02954	12.9
92.19400	3.3
96.96947	1.7
101.02487	1.4
103.40562	0.9
105.01939	1.1
111.00872	100.0
129.01920	4.9
139.21225	1.0
154.99840	6.3
161.04527	5.0
191.05652	1.1
193.07190	1.3
216.64876	0.9
217.05226	10.1
306.40237	0.9
349.09644	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	349.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30702	3.4
53.89370	4.1
54.20190	3.6
55.78816	3.6
59.01389	10.5
62.65533	4.3
68.17099	4.8
71.01394	8.9
78.95854	5.2
89.02435	24.5
99.99744	4.6
101.02422	6.4
112.68798	4.5
113.02439	4.2
115.94901	4.5
151.06117	18.0
192.36528	4.4
242.93233	6.8
260.94141	20.3
283.55649	4.4
313.11462	100.0
343.05783	4.3
348.92075	25.5
349.09225	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88811	1.4
59.01373	3.7
62.19241	1.4
82.02986	7.3
93.07318	1.5
125.87734	1.9
128.59879	1.5
138.05579	4.1
147.41624	2.0
161.20387	1.9
164.03535	17.2
190.08710	17.1
191.04646	16.7
202.08765	2.1
217.06201	2.1
218.11888	35.5
219.07716	1.9
233.09296	71.4
244.04869	6.5
244.09775	3.6
245.09334	12.1
258.06448	2.5
259.07211	21.2
261.12436	17.2
263.10254	2.1
271.07291	20.9
277.08365	3.4
287.10376	31.2
331.09323	26.2
349.10455	100.0
349.14838	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	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54258	1.3
51.08078	1.4
59.01107	2.2
59.01383	47.6
63.57898	1.6
71.01382	19.7
72.04512	1.5
73.02937	6.4
83.01378	2.6
85.02941	12.7
87.00848	1.5
88.04024	2.0
89.02458	13.9
96.04552	20.4
99.02630	1.6
101.02434	22.4
105.01935	18.4
108.04543	16.9
110.06108	78.0
113.02425	11.3
116.04984	2.3
119.03480	3.5
122.06124	22.3
124.07685	14.1
136.07677	30.6
137.06267	1.5
146.90610	1.6
152.89998	1.7
160.07651	9.5
161.04414	2.4
168.06593	2.9
169.08676	2.7
176.04689	1.9
176.65588	1.8
187.09749	2.8
190.12393	23.8
204.09045	3.1
205.09772	8.1
217.09836	10.1
231.00531	1.7
233.12923	28.5
259.10721	1.9
261.08759	6.9
261.12030	1.4
277.11929	94.9
331.09259	9.0
349.10385	17.4
349.14954	100.0
349.18698	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	349.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88031	1.1
61.96185	1.1
62.75342	1.1
83.72080	1.2
104.02152	1.2
278.28442	1.3
313.18121	100.0
327.08817	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	349.1657
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
58.70385	2.0
59.01383	8.9
60.99318	19.9
61.07230	1.9
71.01374	9.1
73.02937	2.5
86.56126	1.6
86.62263	1.8
91.63917	1.6
95.08379	1.8
101.02423	3.0
123.08131	7.9
151.07675	2.1
161.09578	1.9
167.01530	1.6
177.42851	2.1
187.13399	27.5
200.08411	2.1
205.15958	6.7
206.09485	15.4
207.10251	7.0
219.10294	3.1
231.13898	32.5
238.33321	2.1
243.13815	18.5
244.11076	34.2
249.14870	4.0
259.16983	8.2
261.14941	8.4
261.17734	2.4
287.16531	94.1
287.19739	3.2
292.92139	2.2
303.16034	7.3
305.01309	1.8
305.17709	9.8
330.33038	2.0
331.19250	2.6
349.16635	100.0
369.62781	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	349.1658
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
60.55583	2.5
106.69910	2.7
111.08147	3.6
123.08186	2.7
124.40337	2.8
140.20738	2.9
201.52222	2.9
204.11586	3.3
204.79538	2.9
216.18288	3.1
247.17015	16.7
254.59756	3.1
259.17099	6.2
269.19266	2.9
277.18225	4.8
287.16672	25.0
305.17554	29.6
305.20950	5.1
331.15268	9.2
331.19070	3.5
343.83609	2.6
349.16498	100.0
349.20236	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.30215	2.0
53.13466	1.9
55.01891	2.1
57.03462	2.4
59.01385	100.0
71.01382	87.8
73.02937	13.7
83.01390	4.7
85.02962	30.6
87.00856	4.0
89.02438	69.7
92.19502	4.6
95.01383	5.1
99.00819	4.6
101.01811	2.7
101.02448	62.2
109.02944	19.8
113.02455	42.8
119.03495	26.6
125.02444	4.3
152.01137	5.1
153.01923	18.9
161.04564	28.8
179.05627	14.3
187.13383	5.2
210.48277	2.5
349.09753	9.2
349.14920	26.3
349.18695	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13428	0.9
58.04000	0.8
59.01385	100.0
61.75248	0.8
65.12955	0.7
69.44459	0.8
71.01372	3.5
73.02964	1.0
74.01494	0.8
74.72293	0.8
85.02967	1.0
100.31956	0.8
101.02411	1.2
113.02414	1.2
122.73649	0.9
161.04541	1.2
186.71373	0.9
211.59592	0.9
289.16711	6.2
292.36810	1.0
295.04178	1.0
339.09805	0.8
349.20322	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	349.2019
Annotation	PGK2
Peak:m/z	Relative Intensity
55.72607	0.5
76.09914	0.5
81.23764	0.5
89.40244	0.4
104.49786	0.6
110.99467	0.4
123.96905	0.5
207.91748	0.5
216.41966	0.5
228.42436	0.5
286.07645	0.6
287.20135	1.0
305.21191	12.4
319.17413	0.8
331.19189	6.7
349.20251	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	349.2022
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
54.48653	0.4
57.03434	0.9
81.03462	8.6
83.01380	0.8
83.05043	1.3
97.06577	0.8
97.67744	0.5
100.30927	0.5
121.94458	0.6
122.03748	2.1
125.02444	13.1
129.46066	0.6
136.05362	0.5
146.30666	0.6
151.00333	1.0
190.41234	0.5
207.38739	0.5
223.16946	0.7
225.60350	0.6
233.88016	0.6
235.13345	0.8
249.14941	0.6
263.20181	3.2
265.18106	4.1
287.20078	2.4
291.13162	0.5
305.21289	15.2
305.24637	1.1
313.18082	3.4
331.19168	1.2
349.20230	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	349.2385
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
51.84384	0.8
66.74229	0.7
69.92273	0.8
99.82202	0.8
113.20570	0.8
135.30473	0.9
148.23196	0.8
151.11246	1.3
165.12842	1.3
191.14539	1.3
262.97861	0.9
287.23834	3.3
326.35922	1.0
331.22794	16.4
349.23862	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	351.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31180	0.9
53.40376	0.9
59.01376	6.2
75.85377	1.1
123.04523	22.1
125.02396	1.8
127.07658	2.0
130.20837	1.1
153.05566	100.0
189.07603	1.9
223.97467	1.2
296.31531	1.1
315.10870	39.4
327.88226	1.2
351.07358	1.8
351.13086	2.3
351.19879	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	351.0876
Annotation	Negundin A
Peak:m/z	Relative Intensity
53.30804	0.7
57.60169	1.0
63.11551	0.8
65.14549	0.8
75.42313	0.9
76.11855	0.9
88.67345	0.8
90.91147	0.9
91.15687	0.9
125.80769	0.9
158.25325	0.9
160.24622	0.9
194.45129	1.0
249.05565	34.6
263.07001	1.3
264.07910	1.6
265.05276	1.0
266.72226	0.9
277.05060	9.3
291.06610	1.7
292.04007	1.8
292.07404	11.7
293.04565	11.1
307.06110	9.3
308.03333	1.4
308.06912	46.9
321.04037	9.7
335.05688	11.7
336.06436	54.8
351.08759	100.0
351.21826	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	351.1088
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
52.23890	1.0
59.01378	1.4
73.02950	16.2
83.01387	4.7
83.05015	7.6
85.02970	1.7
97.02966	1.0
97.06557	1.3
99.00859	7.2
109.06599	1.7
111.00878	9.1
117.01943	1.7
121.02940	3.9
122.03720	11.9
123.04500	5.7
125.06071	10.8
135.04546	1.3
141.19368	1.0
147.04555	3.7
162.06845	5.8
169.05153	1.2
175.07642	4.2
189.09253	1.5
204.11569	1.1
213.86526	1.1
218.05836	6.9
231.10278	6.6
233.08212	19.6
243.74115	1.0
263.12921	8.0
264.24133	1.0
275.09201	4.0
307.11874	7.8
351.10889	100.0
351.21826	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70461	1.0
59.01110	1.7
59.01387	29.8
71.01385	14.5
73.02937	6.6
84.19458	1.0
85.02950	4.5
89.02441	10.1
96.35040	1.0
97.86216	1.2
101.02450	11.9
102.72427	1.0
111.37343	1.2
112.04008	4.2
113.02447	5.7
115.32567	1.2
119.03484	1.6
119.74848	1.1
127.07676	1.8
127.11303	1.4
129.09183	1.7
138.09253	4.9
143.10759	3.9
152.07196	2.3
153.09216	1.0
171.10220	13.2
189.11342	31.0
234.07870	1.2
254.96858	1.1
277.15659	4.9
307.16461	1.8
351.11688	3.4
351.16571	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	351.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96599	0.5
77.37827	0.5
92.19536	0.7
137.30643	0.5
283.16937	0.7
315.19681	100.0
351.21851	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	351.1814
Annotation	Tagitinin D
Peak:m/z	Relative Intensity
50.32241	1.2
51.10056	1.4
56.40366	1.3
61.63891	1.5
71.05008	8.6
79.56660	1.4
85.50963	1.5
85.91670	1.4
93.47240	1.8
98.88329	1.5
99.04482	5.1
158.04576	1.9
176.51903	1.5
224.29573	1.7
231.13898	6.5
233.11801	20.2
233.15460	3.5
261.14972	15.5
275.16620	3.3
285.14981	2.8
287.16559	10.7
291.19543	1.8
303.16019	8.0
305.17636	23.6
351.18106	100.0
351.21902	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	351.1816
Annotation	Desacetyltetraneurin D 15-O-isobutyrate
Peak:m/z	Relative Intensity
54.48848	0.5
59.01387	0.7
61.82761	0.5
63.78089	0.6
69.28042	0.6
73.92627	0.5
76.74190	0.5
79.83477	0.6
79.88713	0.6
81.66432	0.5
85.06587	2.6
97.06580	0.7
108.83232	0.5
113.06086	3.8
115.03995	2.7
117.97132	0.6
125.06119	1.0
137.06126	2.6
139.03989	2.6
139.07635	0.8
150.06865	0.8
151.07637	1.5
151.11269	1.4
160.11769	0.6
165.43243	0.6
182.05844	0.7
191.10773	0.8
193.12341	4.6
195.10097	0.6
243.16908	0.6
271.16992	1.4
274.15601	1.0
285.18848	0.6
289.18130	26.2
291.16003	1.1
293.17767	0.7
307.19180	3.1
309.17117	3.5
333.17133	51.9
351.18146	100.0
351.21869	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	351.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.8
65.42271	0.7
70.05184	0.7
72.65694	0.7
92.19375	1.0
96.96032	0.8
97.06595	1.7
119.97962	0.8
134.44452	0.8
153.47415	0.8
183.13899	9.4
193.12350	3.7
211.13405	100.0
220.35757	0.8
235.13406	1.5
291.19714	2.8
333.20682	1.9
351.21506	1.0
351.25436	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	351.2177
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
50.33561	0.5
51.97818	0.4
57.03450	1.3
64.92023	0.5
72.49615	0.5
81.03458	6.6
81.08822	0.6
83.05032	0.8
95.05074	0.6
100.73555	0.6
119.32442	0.6
122.03713	2.7
125.02436	10.7
145.80788	0.5
151.00389	1.0
190.63609	0.5
225.18520	0.6
241.21809	0.6
242.00056	0.5
263.20209	0.9
265.21719	5.2
267.19595	2.5
289.21725	3.2
307.22809	19.2
351.21777	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	351.2181
Annotation	11beta-PGE2
Peak:m/z	Relative Intensity
53.00547	0.8
65.99231	0.8
66.87276	0.8
67.23402	0.8
81.88042	0.9
83.05045	1.5
88.17583	0.8
88.36876	0.9
95.05023	4.6
97.06634	1.0
98.03791	0.9
105.76745	0.9
113.06057	1.7
206.09485	4.9
219.13855	1.6
221.11879	1.8
233.15500	1.0
271.20657	3.8
275.35321	1.0
277.14529	1.6
297.18689	2.2
315.19724	2.3
319.10202	1.0
333.20911	1.9
351.11008	3.6
351.18237	7.5
351.21817	100.0
366.54086	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	351.2542
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.54181	0.5
58.58901	0.5
66.85816	0.5
74.26931	0.4
76.55879	0.7
114.35894	0.5
150.25716	0.7
162.02074	0.6
165.12878	0.7
167.11111	0.6
167.14388	0.7
170.39587	0.6
217.15875	0.8
227.35629	0.6
245.19119	2.3
245.62088	0.6
289.25439	3.7
307.26465	1.2
333.24371	100.0
351.25433	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	351.2542
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.30913	0.8
52.20862	0.8
59.89198	0.9
60.93074	0.9
62.47988	0.7
82.93601	0.9
86.24541	1.0
94.98078	1.0
95.65722	0.9
97.55497	0.9
127.50488	1.0
245.18999	1.3
251.60693	1.1
278.52585	0.8
289.25336	2.2
291.71924	1.0
333.24374	100.0
351.21585	1.7
351.25482	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2543
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.62482	0.8
69.53586	0.8
69.96059	0.8
96.95998	1.2
121.90246	0.9
137.06068	1.0
164.03500	1.0
165.12947	1.1
183.13733	1.0
200.76768	1.0
245.19241	1.5
289.25427	3.8
324.54398	0.9
333.24377	100.0
351.22379	2.4
351.25458	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11228	0.6
57.19677	0.5
59.93037	0.6
61.98837	100.0
76.33197	0.5
108.39304	0.5
122.06310	0.7
136.66801	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	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
78.06762	0.8
81.68967	0.7
98.21043	0.9
264.19104	0.9
330.78781	0.8
338.78513	0.8
346.12854	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	352.1769
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
51.51822	0.5
58.02972	1.2
73.49838	0.6
78.46225	0.5
81.03447	1.1
95.05041	0.9
106.13031	0.7
110.09778	1.0
128.10826	11.0
130.08739	100.0
135.08194	2.4
135.33546	0.6
154.08780	1.1
156.41037	0.6
172.09761	2.7
256.05716	0.6
276.53000	0.7
290.17633	2.5
308.18832	6.0
334.16617	1.2
334.49149	0.6
352.17740	48.8
352.21899	3.0
362.02655	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	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44718	0.6
61.39418	0.7
62.82271	0.6
95.29623	0.9
99.25165	0.8
121.02924	0.7
149.02559	1.4
161.06078	1.3
163.04083	1.5
189.05510	1.4
191.03520	3.7
203.03787	0.8
205.05075	72.7
215.03500	2.7
231.02991	1.1
233.04558	100.0
243.21161	0.8
245.04457	4.1
263.05667	1.0
292.99200	0.8
322.22440	1.0
353.08813	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43812	0.7
58.22960	0.8
62.53104	0.8
69.41393	0.8
89.55306	0.8
95.44538	0.9
119.04992	1.0
161.06067	1.0
191.03506	4.3
203.03493	3.8
204.04285	1.5
205.05058	55.0
215.03494	1.7
217.05043	1.8
233.04550	100.0
245.04497	14.9
263.02847	1.0
263.05606	23.9
275.05783	1.6
353.08774	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	353.1033
Annotation	Hinokinin
Peak:m/z	Relative Intensity
54.24453	0.6
56.41584	0.6
81.48839	0.8
87.00917	0.6
92.19504	1.6
93.03549	0.6
153.65593	0.7
207.08104	4.9
211.07635	3.8
213.66357	0.8
222.10474	8.8
225.09192	4.4
232.64366	0.8
238.06229	0.7
239.07158	6.2
241.74715	0.6
251.07150	20.9
266.09457	23.7
278.21307	0.7
279.06613	7.5
280.07413	1.3
281.11771	10.4
294.09003	33.7
295.09592	1.4
302.18979	0.7
309.11340	100.0
323.09253	21.9
338.07767	1.4
338.11636	26.2
353.10202	7.5
353.13962	24.9
353.23257	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	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52225	1.1
55.10787	1.1
57.85425	1.3
59.01387	15.7
60.38750	1.2
71.01389	10.5
73.02941	18.7
79.68970	1.1
83.05022	2.3
85.02940	2.6
89.02453	22.6
93.03448	40.7
95.42407	1.2
99.00874	7.3
99.04528	5.2
101.02435	5.7
111.04499	28.6
113.02432	2.8
129.01913	2.2
137.02435	17.2
143.03490	5.6
155.03464	15.2
173.04543	100.0
179.05624	12.8
219.17247	1.3
243.21159	1.3
264.33893	1.2
315.17126	1.3
353.10730	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	353.1395
Annotation	Vismione B
Peak:m/z	Relative Intensity
51.62113	0.6
70.23771	0.7
72.43289	0.7
82.92599	0.7
83.24407	0.7
95.29272	0.7
108.35769	0.9
295.09763	68.7
310.12277	1.5
323.09280	71.5
338.11630	91.9
338.15170	5.2
353.13950	100.0
353.17734	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
63.57644	1.5
71.01400	1.9
81.03440	2.5
82.27616	1.6
86.22018	1.8
93.03464	2.9
157.08688	2.7
170.73752	1.9
173.04482	8.1
181.12373	2.9
183.69806	1.8
205.15938	9.0
229.16017	11.7
245.15547	7.5
247.17026	80.7
265.18094	24.7
273.15009	39.0
291.16061	55.1
309.17105	100.0
309.20721	3.2
335.14972	10.5
353.16129	35.2
353.23242	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23137	1.6
73.11259	2.3
96.96001	45.9
114.57841	2.2
162.36641	2.0
231.00241	2.0
353.20035	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	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69777	1.2
66.86089	1.1
77.37332	1.4
79.54288	1.7
79.95735	3.1
87.52944	1.4
96.96005	51.6
122.97591	2.2
208.00642	1.6
242.16672	1.7
317.21255	41.4
353.20062	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	353.2124
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.89961	0.5
53.90960	0.7
58.62326	0.6
62.17431	0.5
64.57057	0.5
103.41286	0.6
108.05574	0.5
108.29887	0.6
116.51820	0.7
163.11285	69.3
177.09210	63.4
253.91959	0.7
279.70673	0.6
349.55347	0.6
353.21237	100.0
367.51480	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	353.2313
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
59.01381	10.3
65.94648	0.6
70.36565	0.6
76.02716	0.6
80.48101	0.7
81.46165	0.7
168.49522	0.7
225.22237	3.7
252.86362	0.8
253.21724	1.5
263.23935	0.9
269.21332	0.8
271.22794	100.0
283.05930	1.4
291.19513	4.4
291.23407	4.5
293.21005	2.9
325.10590	0.9
337.20392	0.8
338.08087	0.9
353.10342	11.5
353.14023	1.1
353.23206	38.5
353.27563	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	353.2336
Annotation	8-iso-PGF2beta
Peak:m/z	Relative Intensity
53.56179	0.9
55.53354	1.2
57.03452	1.1
57.05490	1.1
59.01376	1.7
65.80293	0.9
69.03452	1.3
71.01393	1.0
73.02942	1.3
78.99630	1.1
83.05009	1.7
85.02926	8.9
87.61508	1.1
92.43015	1.1
93.16156	1.1
95.05021	1.2
97.06582	2.3
117.78391	1.1
137.09763	2.4
152.96185	1.1
153.12849	2.6
192.28917	1.1
193.16043	4.9
197.11821	16.3
209.15468	2.5
211.13257	1.5
237.14957	14.9
255.16095	6.9
308.72394	1.3
317.21436	1.2
353.23367	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	355.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85704	1.4
51.28056	1.3
51.46217	1.3
51.98672	1.4
56.92791	1.4
59.40668	1.3
61.22954	1.4
70.87347	1.6
81.03484	1.7
86.37221	1.7
109.02961	19.4
111.04516	39.4
123.00883	3.1
124.01698	2.2
125.02428	31.5
132.58238	2.0
137.02394	2.2
138.20839	2.5
139.04008	100.0
151.04021	2.7
161.02454	3.7
164.01143	22.6
166.02737	2.4
167.03461	13.1
178.02747	2.4
179.03506	51.8
179.04958	3.3
181.05055	2.9
193.05066	2.6
195.06660	3.3
204.00581	2.8
242.05435	1.6
266.95959	1.9
319.08252	95.6
355.04745	6.3
368.90115	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	355.0826
Annotation	Brevipsidone C
Peak:m/z	Relative Intensity
73.06306	1.2
119.71612	1.1
198.39497	1.1
251.03542	1.6
267.03064	1.3
267.06473	1.6
268.03842	1.5
269.04501	4.9
279.03009	9.4
283.05899	1.5
295.02850	1.5
295.06158	5.3
296.03192	1.6
297.04001	15.5
307.02475	6.4
309.04178	1.2
309.07791	1.4
311.05838	2.2
312.06412	67.6
322.04907	1.7
323.05869	1.3
325.03561	8.8
327.22733	1.0
339.05206	4.0
340.05914	50.2
340.09650	5.9
355.08221	100.0
355.11771	6.4
378.48340	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	355.0883
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
59.01397	18.0
60.90024	2.1
69.03455	2.8
71.01376	22.6
72.99305	56.0
73.02949	75.9
76.40527	1.9
83.01390	3.8
85.02947	53.3
88.50604	1.9
89.02451	4.6
93.05540	2.1
95.01387	10.3
99.00871	13.3
101.02441	26.8
109.26390	2.1
113.02441	100.0
115.00365	12.5
122.73549	2.0
129.01964	2.6
131.03500	46.6
150.36604	2.1
157.01434	13.2
175.02481	66.3
265.05618	4.2
330.85345	2.2
355.08762	32.2
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	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01369	1.2
72.57807	1.0
73.02989	1.1
83.27442	1.0
85.02948	1.2
87.00903	1.4
133.02960	8.6
134.03693	4.3
135.03481	1.8
135.04533	69.7
161.02441	95.1
161.04576	4.0
172.06158	1.0
174.01729	10.3
178.02675	2.0
179.03510	44.7
188.04692	1.1
193.05060	2.1
193.07045	1.0
222.99908	1.2
326.77344	1.1
355.10339	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	355.1188
Annotation	Cowagarcinone B
Peak:m/z	Relative Intensity
51.61134	0.7
58.00314	0.7
76.58482	0.8
116.51474	0.8
236.05461	0.9
237.09259	1.1
248.86867	1.0
251.07117	1.9
265.08713	3.5
267.06656	1.6
281.08203	4.7
282.05402	1.2
283.09808	4.8
293.08228	7.0
295.06168	5.8
296.07114	6.1
297.07721	7.5
307.06113	2.1
309.07684	1.3
311.09253	38.8
312.10089	3.9
321.07620	4.3
322.08511	4.9
323.09274	11.3
325.07141	10.3
339.08789	23.9
339.12790	1.7
340.09552	19.7
355.11905	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	355.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38707	1.0
59.01369	1.6
67.60013	0.8
70.31580	0.9
72.77682	0.8
74.83929	0.8
79.54526	0.9
99.76383	0.9
137.02451	0.9
143.05028	5.0
151.04025	1.0
152.34566	0.8
159.04527	7.7
160.05302	100.0
173.06065	1.2
174.06865	7.5
175.07668	9.9
204.04227	1.4
219.06688	8.7
295.22998	1.3
311.05258	0.9
325.10748	1.3
340.13190	4.2
355.11893	55.9
355.15326	2.7
355.24826	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	355.119
Annotation	Kalmiatin
Peak:m/z	Relative Intensity
60.55811	0.8
61.82673	0.8
72.97081	0.8
80.85726	0.7
81.88394	0.8
108.02165	15.7
109.02939	14.2
122.03726	1.1
123.04505	11.8
129.07103	7.6
142.51212	0.9
145.06554	6.8
155.05037	4.8
159.04506	7.2
160.05312	12.1
171.04465	4.3
172.05312	19.6
173.06068	81.1
187.07634	1.9
203.03471	3.2
215.03543	1.5
215.79942	0.8
216.04208	1.9
217.05072	36.6
218.05803	1.0
231.06595	23.8
250.31528	0.8
251.75330	0.8
263.07208	1.1
281.08096	4.8
295.09769	3.5
296.10480	1.0
311.12833	3.1
325.07098	0.9
340.09467	12.1
355.11899	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	355.1189
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
65.05830	0.7
72.92539	0.9
80.19746	0.7
92.20102	1.0
95.02927	0.8
109.02916	1.4
165.97005	0.9
183.84683	0.9
186.03218	5.4
187.04050	1.7
201.05664	3.4
231.06650	4.2
266.05746	2.1
267.06683	2.1
269.04419	1.0
279.03217	0.8
279.06561	1.1
280.04666	0.9
280.07349	7.2
281.08163	5.7
293.04453	1.5
294.05353	3.4
295.06213	11.3
297.04163	3.2
297.07654	1.5
309.07678	16.4
309.11078	1.3
311.05597	1.1
312.06610	10.1
312.09943	1.8
322.08469	0.9
325.07178	14.6
337.73492	0.8
340.05954	6.8
340.09528	100.0
355.08188	11.3
355.11935	84.6
355.16638	1.4
363.67001	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	355.119
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
59.73486	0.6
60.31797	0.6
82.36304	0.6
90.70872	0.7
92.83015	0.8
103.47465	0.8
109.02942	6.9
159.04491	14.2
159.05656	1.0
160.05275	1.0
171.04562	1.0
172.05345	1.5
173.06091	5.6
186.06920	0.9
187.07687	2.9
203.13481	0.8
215.00168	0.7
218.26656	0.7
225.05635	1.3
232.44368	0.8
239.07161	1.4
241.04977	1.1
253.08687	3.1
255.06647	5.8
263.06903	0.8
267.10284	1.5
277.08627	1.4
278.09464	3.0
281.08197	21.5
295.09839	6.7
296.10446	7.1
311.09271	5.0
322.08496	6.4
325.03375	1.1
325.07208	33.2
339.08743	7.7
340.09549	52.3
355.11911	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	355.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74503	0.6
62.26128	0.6
70.62303	0.7
75.82214	0.6
76.41512	0.7
184.77277	0.7
211.17072	0.7
237.15025	1.3
253.05145	5.3
266.05878	0.9
267.10355	1.0
279.10165	0.9
281.08203	100.0
295.09750	3.5
296.10544	47.0
311.09311	3.9
311.12936	16.7
312.10031	1.7
326.11514	3.6
327.12286	3.9
340.09692	4.8
355.11905	77.2
355.24771	6.6
378.97900	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	355.1187
Annotation	Erabulenol A
Peak:m/z	Relative Intensity
52.88324	0.4
58.19038	0.4
59.50166	0.5
62.39031	0.5
63.29935	0.4
79.77428	0.5
94.88076	0.4
123.30150	0.5
124.96075	0.5
127.11243	0.5
137.06094	1.1
139.11287	2.1
197.11862	3.6
225.05467	0.6
237.15018	0.6
253.05072	4.6
267.10199	0.7
268.07416	2.3
279.10129	0.7
281.08243	8.5
295.09781	3.2
296.10544	76.2
301.64322	0.5
311.12939	16.7
311.16461	0.8
339.12552	0.7
340.13165	1.2
355.11884	100.0
355.15591	9.7
355.24734	11.2
378.30069	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	355.1189
Annotation	Kalmiatin
Peak:m/z	Relative Intensity
50.70464	0.5
55.70600	0.7
70.22417	0.6
82.98029	0.6
85.68694	0.7
90.74034	0.7
93.51717	0.7
98.83484	0.8
113.69031	0.6
136.01610	0.7
143.05035	4.6
159.04510	8.0
160.05302	100.0
173.06091	3.5
174.06856	8.5
175.07603	11.7
176.61823	0.8
177.99551	0.6
214.67403	0.6
218.05899	0.6
219.06616	8.1
245.43654	0.7
268.87143	0.6
355.11896	55.9
377.26370	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	355.1247
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
53.63101	1.6
55.01877	1.9
56.81517	1.7
57.03456	1.6
59.01384	87.3
71.01382	56.2
72.99301	3.3
73.02956	15.9
83.01395	8.5
85.02952	21.9
86.23412	1.8
87.00872	8.8
89.02436	62.7
89.61505	1.6
95.01374	6.9
97.02942	2.4
99.00887	2.2
101.02441	50.9
113.02448	47.0
119.03494	21.4
125.02443	10.0
131.03484	2.3
136.21988	1.8
141.39418	1.8
143.03528	7.5
161.04562	42.5
175.02446	7.6
179.05598	18.6
193.07178	43.2
196.89883	1.8
220.62700	2.0
294.35962	1.8
312.14240	1.8
355.08762	6.5
355.12482	100.0
362.84219	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	355.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98850	1.3
58.51149	1.3
59.78666	1.1
70.38399	1.5
77.40172	1.2
81.03473	5.0
83.01391	1.7
83.05020	14.2
93.03445	66.7
111.04520	50.2
137.02444	73.7
137.09714	8.0
155.03510	33.3
155.10782	100.0
160.05270	7.9
161.02414	5.4
199.09778	45.1
202.45811	1.4
355.14117	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53920	2.5
61.96887	2.3
73.61881	2.3
81.03452	3.1
83.05019	18.5
85.21544	2.7
89.02483	3.3
93.02908	3.7
93.03460	100.0
111.04518	84.8
137.02444	47.1
137.09712	15.9
155.03500	77.1
155.10777	97.6
161.02411	15.1
174.88489	3.0
199.09756	79.3
239.84784	2.7
332.68243	3.3
355.13858	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	355.1553
Annotation	Juglanin A
Peak:m/z	Relative Intensity
53.66805	1.0
58.34081	0.9
58.42607	0.8
73.40203	1.0
85.19418	0.9
88.41172	0.9
95.33605	0.9
121.50084	1.1
269.08124	7.5
283.54684	1.2
318.55258	1.0
337.15063	1.0
339.12540	1.2
355.15536	100.0
355.24887	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	355.1552
Annotation	Juglanin A
Peak:m/z	Relative Intensity
63.43060	0.6
72.38166	0.7
72.51196	0.6
104.90652	0.7
209.06131	6.1
217.04967	0.9
224.08435	4.3
237.09061	0.8
267.13980	3.5
297.11401	3.4
311.12863	3.9
312.13675	16.6
324.10229	1.4
327.15991	1.0
339.08136	1.5
339.12399	86.4
340.13220	11.3
355.15546	100.0
355.24817	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	355.1554
Annotation	Juglanin A
Peak:m/z	Relative Intensity
57.62074	0.3
67.06403	0.2
74.11116	0.2
88.40155	0.3
142.85469	0.3
162.00787	0.3
211.11888	0.4
237.18365	0.3
257.08136	0.8
258.08997	0.4
269.75055	0.3
301.79117	0.3
325.10709	2.7
339.12354	0.5
340.13153	7.3
355.15549	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12685	4.2
74.02464	6.3
80.66447	3.7
99.92600	62.3
100.93366	10.4
108.83090	3.6
115.92051	20.5
116.92857	100.0
121.33040	4.1
166.43570	4.5
170.85028	4.3
284.79144	4.5
355.11722	7.4
355.15829	96.3
355.32278	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.35413	0.7
53.43411	0.6
116.42115	0.9
122.03691	5.1
135.04539	14.1
144.33167	0.8
153.08286	0.9
155.47261	1.0
159.05145	0.8
161.09714	5.0
163.07637	1.2
163.11273	24.3
164.08411	9.1
165.09128	1.3
166.99504	0.9
177.09222	39.9
178.10025	10.7
179.10776	73.1
191.10750	9.0
228.29990	0.9
280.14536	1.2
298.15762	31.7
309.22366	1.1
337.21750	50.5
340.20453	75.1
355.22818	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	355.2492
Annotation	13,14-dihydro PGF2alpha
Peak:m/z	Relative Intensity
54.22625	0.9
56.29133	1.1
56.98540	0.9
57.45741	0.9
59.01390	2.4
60.89049	0.9
68.21970	1.0
75.52870	1.0
83.05023	2.1
99.08147	7.6
106.09270	1.3
123.08157	1.6
139.11319	2.1
153.12833	4.6
193.15970	7.0
197.11810	5.3
209.15508	2.5
219.14006	1.4
237.14958	27.5
255.15947	11.0
281.08408	1.9
296.10464	2.6
311.13028	2.1
311.16602	8.0
327.12476	4.6
340.09457	1.6
340.13300	2.6
355.11780	12.4
355.15591	37.9
355.24942	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	355.2855
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
70.84858	0.8
106.01333	0.8
107.68921	0.8
136.99556	1.0
228.81067	1.1
293.28540	100.0
311.29584	0.9
337.27585	25.2
346.42569	1.0
355.28571	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3217
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
54.89999	0.6
64.22095	0.7
83.64369	0.8
129.68449	0.8
150.82549	0.8
173.77353	0.9
309.31625	5.6
337.31085	1.2
355.32181	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	356.099
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.44783	0.7
65.31590	0.8
71.01392	1.1
71.05050	0.8
106.06626	100.0
108.08189	6.9
125.40638	0.9
131.03726	1.2
145.49619	0.7
146.06004	0.8
150.05603	65.7
155.76096	0.8
164.07196	13.0
172.88486	0.8
192.06665	4.9
194.04585	27.3
236.05585	3.8
267.23434	0.8
296.07706	4.8
337.28131	0.8
356.09915	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	356.1069
Annotation	Rumbrin
Peak:m/z	Relative Intensity
55.47531	0.5
59.01370	0.6
60.32622	0.6
60.86084	0.6
71.01394	0.9
71.29689	0.6
73.02963	0.9
73.12720	0.6
74.28211	0.5
74.33149	0.6
85.02959	0.7
85.51111	0.5
87.00890	0.9
91.93597	0.6
101.02448	1.2
130.69872	0.7
133.02957	6.8
134.03265	6.8
135.04533	18.8
135.40427	0.6
136.04863	21.1
161.02443	75.3
161.04594	3.7
162.02783	92.8
162.04955	3.3
179.03519	7.5
180.03853	11.0
182.27786	0.6
193.07101	1.0
356.10709	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	356.1868
Annotation	Hetidine
Peak:m/z	Relative Intensity
52.24974	0.3
117.82670	0.4
122.61764	0.4
134.85463	0.4
164.89879	0.4
210.06480	0.6
268.14203	0.6
329.17584	46.4
356.18701	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	357.0619
Annotation	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.37354	1.0
57.25222	0.8
59.01390	2.2
63.82373	0.8
74.92973	0.8
93.03465	1.0
95.05041	0.8
108.02189	0.9
109.02943	18.2
110.01704	0.8
121.02937	4.4
123.04519	22.0
135.04521	4.7
149.02419	4.1
150.03218	1.8
151.04054	13.6
161.02454	5.6
163.00374	39.8
163.04051	2.1
164.01157	12.8
165.01898	6.0
167.03473	1.3
175.03973	4.9
177.01926	12.1
178.02710	2.0
179.03459	1.6
189.05544	1.4
191.03526	2.2
193.01506	7.8
205.01439	30.8
206.02199	6.1
207.03030	7.7
215.07144	1.5
219.02966	4.2
232.00148	1.2
233.00923	17.9
235.02475	4.5
247.02458	3.9
253.08630	4.8
255.06467	1.5
267.06693	1.4
279.06772	1.9
285.07666	5.7
294.05328	3.7
295.06329	1.4
309.07626	7.6
312.09894	1.5
327.08737	5.6
327.12457	9.7
329.06641	4.8
335.37564	1.1
357.06158	100.0
357.09915	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	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
59.01387	3.6
68.99591	0.8
71.01371	7.8
73.02939	3.1
75.00880	0.7
78.95913	1.1
80.17495	0.6
83.01395	0.9
85.02942	4.8
89.02457	8.0
96.80447	0.7
100.72654	0.7
101.02438	5.3
108.02176	89.8
113.02432	2.8
123.04520	100.0
133.02956	1.5
151.04031	0.8
152.01189	7.1
159.03044	0.7
161.04497	1.2
167.03493	12.1
186.05037	0.7
195.03003	11.0
235.34311	0.7
237.04085	4.0
297.11829	1.3
357.08051	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0982
Annotation	3'-Hydroxy-5,6,7,2'-tetramethoxyisoflavone
Peak:m/z	Relative Intensity
51.92456	0.3
64.79842	0.3
73.43987	0.4
78.39764	0.3
81.03439	0.4
95.05035	0.6
99.00884	0.9
121.58704	0.4
122.03716	1.8
123.04520	100.0
124.95570	0.4
131.05020	3.5
142.96478	0.4
146.03729	0.5
151.04091	0.4
158.55951	0.4
161.06117	2.0
174.03236	0.8
189.05597	0.7
197.17155	0.5
200.04782	0.5
233.04552	7.5
252.87793	0.4
312.10052	1.7
313.14432	0.6
313.46585	0.4
327.08798	2.0
341.10431	0.6
342.11090	2.5
357.09796	17.5
357.13538	9.2
357.22656	0.5
357.26517	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	357.0982
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
71.24203	0.6
83.01351	1.0
83.66634	0.7
84.59248	0.7
85.76800	0.6
98.18678	0.7
137.06145	0.7
151.03951	0.9
163.04016	1.0
173.48882	0.7
177.01935	5.4
178.02725	1.2
211.07809	1.0
224.08464	0.7
239.07191	1.7
240.04254	3.4
241.05048	0.8
251.07094	3.3
252.07864	4.4
255.06664	8.6
265.08823	1.2
269.08218	7.6
270.08951	1.1
279.06818	0.7
280.07404	3.7
281.08173	14.4
282.05402	0.9
283.06116	23.7
297.07675	34.9
298.08475	37.2
301.06976	1.1
308.07211	0.7
309.07712	1.2
313.10748	1.4
313.14438	1.3
319.99484	0.8
324.10147	0.8
325.07135	1.1
341.06601	0.9
342.07449	7.0
357.09784	100.0
357.13455	6.6
357.26602	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	357.0983
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.10542	0.9
51.47095	0.8
55.38013	0.8
60.27287	0.9
62.08929	0.8
74.73458	0.9
83.01385	1.0
95.13761	0.9
98.00079	5.7
108.02170	4.2
109.02936	4.5
115.31136	0.9
121.02952	1.0
123.00861	7.0
123.04484	1.8
124.01650	5.8
136.01656	8.2
137.02524	1.1
159.04514	1.0
161.02437	4.3
162.03174	1.9
162.13098	0.9
163.04050	2.2
173.02458	1.8
175.03984	22.1
176.04787	8.5
177.05600	1.9
177.85336	1.0
178.02693	0.9
179.03526	1.6
189.05522	4.3
190.02721	24.1
191.03531	21.8
191.07117	3.5
205.05101	6.3
219.02991	1.3
245.63139	1.1
268.07346	1.0
279.87790	1.0
280.07565	1.4
298.08478	1.4
302.95792	0.9
305.03940	1.0
313.10727	6.2
314.26288	1.1
342.07303	3.8
357.09811	100.0
369.66934	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03441	0.6
57.80381	0.5
59.01383	10.9
63.50041	0.6
65.32783	0.6
71.01376	6.3
73.02950	4.1
74.05569	0.6
83.01386	2.6
85.02955	4.3
87.00905	0.7
89.02426	0.7
92.20013	1.0
101.02454	11.8
111.02757	0.6
113.02471	1.0
114.23398	0.6
119.05005	1.5
135.04533	0.9
149.06148	0.7
151.07643	38.4
158.55617	0.6
195.06639	11.6
357.11942	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01384	14.4
61.11503	0.6
69.01350	0.5
70.43780	0.6
71.01387	0.8
98.63969	0.7
101.02455	0.8
123.04524	3.0
135.04523	7.3
136.04326	0.9
136.05309	13.8
144.16095	0.7
151.04015	3.2
151.07637	4.7
177.05548	1.2
195.06633	100.0
289.00620	0.8
357.11746	4.1
376.59207	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	357.1193
Annotation	Junipediol B 8-glucoside
Peak:m/z	Relative Intensity
54.66243	1.9
56.69043	2.2
58.00594	4.8
59.01388	72.6
62.29051	2.1
66.96171	2.1
67.13132	2.0
69.84476	1.8
71.01378	32.3
73.02950	14.0
83.01381	2.7
85.02948	15.4
87.00894	16.3
87.16689	2.3
89.02441	42.6
95.01374	2.8
99.00903	2.4
101.02460	37.5
113.02433	13.3
117.03401	2.5
119.03549	16.8
121.02956	16.4
123.04511	4.6
135.04449	2.8
145.02939	31.8
146.03749	5.4
147.04475	12.2
151.03983	2.6
161.02434	10.7
161.04515	3.1
162.03230	57.4
163.03954	8.3
165.05585	5.5
177.05536	20.3
179.05634	5.5
180.04308	45.8
180.32861	2.4
195.06645	86.0
267.08807	3.9
267.21191	2.8
314.32413	2.3
357.11966	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	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40652	1.1
59.01369	2.0
59.20258	1.0
72.88264	1.2
74.89902	1.0
83.01387	72.9
121.02916	9.6
122.03738	14.0
123.04530	5.3
135.77202	1.3
136.05284	6.8
137.06110	13.3
147.04530	6.1
161.06078	5.6
162.06885	2.4
176.04826	1.9
195.06735	1.8
221.08284	2.1
223.41107	1.2
293.15216	1.2
313.14453	1.5
342.11148	2.7
357.10107	4.3
357.13461	100.0
364.94788	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	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
58.73632	0.8
70.95547	0.7
83.01389	75.4
86.35252	0.8
92.20114	1.0
100.99563	0.8
109.02905	0.9
110.04449	0.8
121.02938	9.2
122.03750	17.3
123.04517	7.7
136.05309	7.9
137.06102	15.4
140.12914	0.8
147.04535	6.3
161.02489	0.9
161.06035	3.4
162.06808	3.7
162.09373	0.8
209.08185	4.1
221.08185	1.7
342.11148	6.1
357.13458	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	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98633	1.4
53.10250	1.3
55.01860	1.5
57.93948	1.2
62.35929	1.2
70.98650	1.3
75.26183	1.3
83.01385	76.7
84.17528	1.5
87.16850	1.7
121.02927	10.0
122.03748	16.8
123.04497	7.1
136.05312	7.5
137.06078	16.6
147.04517	6.3
203.87338	1.8
209.08189	2.6
209.69688	1.7
221.08206	2.0
271.02502	7.5
286.04922	3.2
291.64008	1.6
313.14441	3.2
342.11139	6.1
347.02679	1.8
357.09991	4.2
357.13467	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	357.1346
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.85163	0.5
121.02950	3.4
122.03719	8.1
128.81380	0.8
134.03775	0.8
136.01663	60.7
137.02408	1.6
144.88397	0.7
151.04007	100.0
160.05273	1.0
162.03256	1.1
165.24283	0.7
175.07628	0.8
177.05548	0.7
179.03598	0.7
342.11108	3.5
357.13458	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22780	0.4
53.32164	0.4
57.33585	0.4
69.35960	0.4
70.45533	0.4
85.74027	0.5
89.94986	0.4
93.76226	0.4
94.79444	0.4
98.84068	0.5
99.53712	0.5
122.11314	0.5
147.08299	0.4
177.05634	0.6
217.08740	0.6
225.30119	0.4
241.64748	0.5
256.71100	0.5
267.13571	0.5
271.09729	0.9
283.13455	2.2
293.12329	0.5
309.11462	1.0
314.15338	0.6
324.10141	0.8
324.13654	4.7
327.12314	1.9
329.17651	6.7
330.83676	0.5
339.12384	0.6
339.16116	1.9
342.14719	5.4
346.44086	0.6
357.13730	5.3
357.17120	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	357.2073
Annotation	Canrenoate
Peak:m/z	Relative Intensity
57.03441	1.0
59.01372	0.6
63.63483	0.7
65.00339	0.8
81.03449	8.9
83.01378	2.6
95.04992	0.9
101.19556	0.7
122.03740	1.4
123.04541	0.7
125.02445	8.2
151.00357	1.4
152.01155	1.4
166.02696	0.8
231.17445	1.0
269.24884	1.2
271.20688	0.8
273.18573	3.3
313.21732	31.0
313.25381	1.3
357.20718	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	357.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
59.16228	2.3
61.49756	2.3
63.84106	2.2
83.01387	3.4
92.20137	3.1
105.03694	2.4
106.74513	2.4
113.09684	3.0
129.80328	2.6
178.14632	2.6
221.15404	6.1
243.82608	3.3
303.23389	14.0
321.24332	100.0
357.13269	11.6
357.30243	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	357.2647
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
59.01371	1.1
70.23111	0.9
83.01398	3.8
121.02933	1.1
167.45769	0.9
231.46796	0.9
277.25394	27.6
284.48145	0.9
294.12625	0.9
295.26443	4.5
313.27631	2.1
321.24371	38.9
339.25409	29.2
339.29266	1.9
357.13446	5.9
357.26474	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	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.81558	0.5
59.01375	3.5
75.46165	0.5
81.68813	0.6
83.01377	0.8
87.13642	0.5
91.32104	0.7
91.66750	0.5
92.20116	0.6
97.06584	4.7
97.07130	0.6
139.11331	0.6
176.38541	0.5
195.17586	0.5
199.13460	1.1
218.81163	0.6
239.16451	3.4
241.18074	7.8
253.25272	0.7
257.17618	2.4
290.80634	0.7
297.24338	2.3
309.24402	0.8
313.18182	1.9
314.04156	0.6
321.24203	0.6
327.25412	15.7
339.25409	2.8
355.24936	0.9
357.17102	2.8
357.26465	100.0
377.53452	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	357.2649
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.41996	0.4
59.01360	0.5
66.52661	0.4
79.98267	0.4
83.01398	0.5
93.74657	0.5
114.92088	0.5
127.11308	0.5
167.01347	0.5
171.10220	1.0
185.11824	1.3
227.16504	1.2
266.09402	0.8
269.08212	1.2
280.11050	1.9
296.10477	0.8
297.11334	1.1
297.24390	2.7
309.24326	3.8
311.12799	2.0
313.14362	3.5
325.23758	0.8
327.25455	26.6
327.29367	1.0
329.13873	3.3
339.12439	0.8
339.25482	5.2
355.24936	1.2
357.13477	17.8
357.17148	2.8
357.26480	100.0
372.42172	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	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80119	1.1
59.01389	2.1
63.75459	1.0
85.25754	1.0
85.62358	1.0
87.43945	1.0
108.08194	91.6
109.42445	1.0
120.08165	1.1
132.08180	2.1
148.07704	2.6
152.07172	100.0
166.08711	24.1
167.03534	1.1
168.03738	1.1
194.08223	6.3
196.06155	44.9
236.32286	1.1
237.07695	1.2
238.07304	9.9
298.09427	10.7
358.11438	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	87.5
62.60007	0.8
71.35780	0.7
79.85250	0.8
80.33290	0.8
92.19527	1.0
116.44880	0.8
157.03539	5.2
174.99249	40.4
175.59328	0.9
201.02571	30.0
217.00307	100.0
277.48035	0.9
310.00473	1.0
316.40118	0.8
325.97900	0.8
359.01514	23.6
371.94418	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	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66553	0.5
57.03452	1.2
59.01385	5.5
61.89002	0.5
64.10695	0.5
65.00333	0.6
71.01378	2.8
83.01382	7.7
88.29649	0.6
89.02444	3.2
92.19980	0.6
101.02426	2.4
107.01388	0.7
109.02943	7.1
111.00848	0.8
113.02426	1.0
119.03455	0.7
125.02435	35.9
135.00879	1.1
135.04509	4.6
139.04027	0.9
145.33200	0.6
149.02438	3.9
151.00357	13.6
153.01933	100.0
177.01875	1.4
178.99872	4.0
219.30510	0.6
230.07108	0.7
287.07626	0.9
315.07260	7.2
341.05377	0.9
359.06180	24.4
359.09918	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	359.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
68.99808	0.8
83.01385	6.8
85.02945	1.0
97.56429	0.5
109.02930	8.6
111.00902	2.1
113.02450	0.8
125.02435	37.7
135.04532	1.2
139.03986	0.7
149.02472	1.3
151.00378	10.5
151.03943	0.6
153.01932	100.0
166.02069	0.6
167.03441	1.0
177.01939	2.3
178.99825	2.5
182.05893	2.0
187.01489	0.6
195.03008	1.3
197.08226	3.1
236.74385	0.5
287.07739	1.1
293.81009	0.5
298.10645	0.5
315.07230	7.0
341.05154	1.0
359.02121	1.1
359.06235	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	359.0984
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
55.01860	1.4
57.03454	1.7
57.43846	1.1
59.01384	92.6
71.01379	36.8
73.02949	3.0
73.99718	1.4
83.01395	12.6
85.02942	14.5
89.02438	59.6
95.01383	2.0
99.00897	2.2
101.02435	25.2
107.05023	7.6
109.02937	9.1
113.02436	22.0
119.03481	20.2
123.04565	2.2
125.02443	28.8
135.04524	38.8
137.02405	3.6
143.03450	2.2
149.06085	3.3
151.00380	8.7
151.03983	7.0
153.01933	100.0
153.05493	3.5
161.04593	1.7
178.99898	1.9
179.05608	7.6
197.04465	2.0
315.07245	9.1
315.10861	20.7
359.06052	16.9
359.09894	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	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01388	14.4
60.94962	0.9
71.01376	6.8
89.02461	6.8
95.01398	1.7
101.02422	5.3
102.23530	0.9
104.38618	0.9
113.02434	1.1
114.08714	1.0
119.03500	4.0
123.00889	12.4
123.04491	4.8
125.02416	1.2
135.04547	7.9
137.02362	1.2
138.03229	75.6
140.90193	1.0
153.02017	3.4
153.05576	90.7
164.04802	1.3
166.99847	2.2
179.03510	1.9
179.05594	1.4
179.07056	1.8
182.02214	50.0
186.95383	1.0
197.04565	100.0
197.08241	6.0
359.09894	39.9
359.13538	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	359.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03452	1.3
59.01382	66.2
60.39038	0.9
71.01380	32.1
73.02962	2.0
83.01379	8.6
84.03728	1.1
85.02966	7.5
85.03387	1.0
85.83829	1.1
87.00862	1.1
89.02439	41.8
95.01376	1.2
97.02899	1.1
101.02442	20.4
107.05026	6.2
109.02981	8.2
113.02434	12.2
114.51544	1.1
119.03487	12.9
123.04545	1.8
125.02438	40.1
131.03506	1.0
135.04532	46.5
143.03458	1.4
149.02444	4.3
149.04439	1.2
151.00362	12.2
153.01935	100.0
161.04544	2.3
177.01904	1.6
178.99895	1.7
179.05603	4.8
182.05899	1.6
197.04568	1.0
197.08173	1.2
277.14319	1.1
315.07196	7.2
315.10571	2.7
359.06085	24.9
359.09894	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1141
Annotation	9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
Peak:m/z	Relative Intensity
54.09478	2.5
56.12322	1.9
57.03447	3.2
59.01387	27.0
68.10239	2.4
71.01382	11.4
72.35014	2.4
75.00860	2.5
85.02954	12.3
89.02430	14.7
101.02444	3.6
108.02168	3.6
109.02959	31.6
119.03484	3.3
121.02898	2.8
123.04501	13.3
135.04512	26.6
136.01636	4.7
137.02417	5.3
148.05276	14.0
149.06070	3.0
151.04001	12.1
153.09219	45.2
159.04501	6.2
160.05325	29.4
161.06084	10.6
163.04041	3.8
163.07605	16.1
172.05261	13.5
173.06032	10.2
175.07600	4.2
179.07053	8.8
197.08205	29.4
204.04315	18.9
205.05103	3.9
207.06627	4.5
219.06621	31.8
271.13431	2.5
281.08151	9.9
282.08911	11.2
297.11282	23.5
299.11459	2.8
315.12384	3.8
329.10336	2.6
329.14023	12.4
341.10208	17.4
359.07437	5.0
359.11322	100.0
359.14899	6.5
359.20633	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	359.1139
Annotation	Agecorynin E
Peak:m/z	Relative Intensity
53.89598	1.6
59.01365	7.9
59.77576	1.9
67.77158	1.8
71.01368	2.5
95.43137	1.9
99.00886	24.2
101.02518	2.0
109.02950	30.6
120.49047	2.1
121.02908	3.5
122.03719	14.6
122.06091	2.8
123.04519	59.5
124.07658	2.9
131.04942	3.3
137.06053	4.4
146.06113	7.4
147.04492	10.8
148.07622	2.3
149.06107	16.3
150.09189	2.7
157.61391	1.8
163.03944	1.9
177.05516	2.6
191.07175	2.5
209.04449	2.3
215.11882	2.2
221.04552	3.9
235.06114	13.6
243.11359	11.1
243.15086	2.0
271.14383	2.3
296.10446	4.4
298.08539	2.8
313.10712	9.3
315.13510	19.9
359.07947	5.1
359.11383	100.0
359.15332	4.9
359.20840	3.4
364.90250	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	359.1138
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
59.01397	0.8
59.55368	0.5
59.87398	0.5
73.02918	0.6
91.05535	6.3
93.03465	0.9
100.93696	0.6
107.05029	17.0
109.02991	0.9
117.83659	0.6
121.02927	3.0
134.03729	7.4
135.04529	100.0
136.05289	3.3
137.06073	4.3
144.18201	0.7
145.02940	6.2
146.03729	4.1
149.06096	8.6
151.04063	1.4
161.06097	2.8
164.04803	2.8
179.07166	3.9
181.05112	6.7
186.11360	0.7
195.06660	8.3
287.16644	0.9
329.10355	6.9
329.13828	1.0
334.94498	0.7
341.03036	3.3
341.10254	5.1
359.04233	6.4
359.11194	2.7
359.15091	3.3
362.58231	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	359.1141
Annotation	Nigrolineaxanthone T
Peak:m/z	Relative Intensity
66.53844	1.3
71.12634	1.3
81.83257	1.5
92.20042	2.1
96.84258	1.5
108.02193	3.2
109.02952	35.8
121.02959	1.7
121.81348	1.3
122.03742	2.8
123.04527	6.4
129.07051	1.8
137.02489	1.6
146.03683	1.9
148.05254	2.1
149.46280	1.3
150.03252	1.3
155.04973	1.7
159.04478	9.9
160.05283	19.0
161.06108	15.7
172.05276	7.2
173.06111	20.9
193.05063	7.6
204.04283	6.3
205.05005	12.8
207.06641	2.1
217.05119	9.1
219.06653	2.2
231.06627	8.0
280.67953	1.6
281.08151	7.5
282.09116	3.7
291.35284	1.7
297.11362	12.4
341.10339	23.2
359.11404	100.0
368.65305	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	359.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.2
71.01386	3.5
72.00912	8.1
72.99319	1.8
73.51583	0.7
89.02455	3.6
91.09625	0.9
101.02471	1.2
107.05032	1.0
109.02962	3.9
113.02499	0.9
123.04536	1.1
125.02444	7.3
135.04521	13.0
137.02489	4.7
151.00420	3.3
151.04054	1.6
152.04826	2.9
153.01930	18.2
153.05591	3.6
161.02443	1.4
170.00352	0.9
177.01947	1.0
179.03491	12.7
193.06694	1.8
196.03822	1.5
197.04596	3.9
207.08255	3.8
211.07672	1.2
219.08127	12.5
223.07791	1.1
224.08434	9.6
225.09265	5.5
234.09262	1.4
236.10878	1.8
237.09221	28.3
239.09625	1.6
241.11148	1.8
252.10364	8.4
253.08821	3.6
254.08153	1.6
254.11885	10.5
256.07510	3.5
263.07166	8.2
267.09024	3.0
268.07486	3.0
268.09952	1.5
278.08139	1.1
280.09781	9.5
281.08206	15.6
285.10199	4.1
296.09506	1.0
298.10828	7.4
313.11954	7.7
314.10385	1.2
315.07544	0.8
315.13748	1.5
317.09308	3.3
324.08972	6.6
341.11526	20.7
342.09845	4.1
359.12698	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	359.1249
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
59.01375	9.3
61.48596	1.9
74.38381	2.1
85.81269	2.3
105.58173	2.0
121.05312	2.6
122.06098	4.1
124.07691	21.4
135.04521	2.4
146.06110	38.6
148.07671	12.3
150.09241	22.8
215.11821	21.1
227.08397	3.2
228.13867	3.3
239.17654	2.1
241.09709	10.6
243.11407	69.5
243.14948	14.5
255.11320	4.7
271.14551	34.2
287.13849	3.5
315.13449	93.4
315.16898	3.2
336.97626	2.3
359.03967	4.9
359.12201	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23003	0.6
59.01393	6.4
71.01389	1.3
71.13926	0.7
80.02802	0.8
89.02431	2.8
101.02461	3.5
113.02435	1.2
120.75754	0.9
125.02469	1.7
137.02414	3.8
138.03197	1.8
139.04039	3.1
151.03983	1.5
164.04860	2.6
179.03410	0.7
179.07169	1.0
182.02283	3.3
182.05849	95.3
183.55835	0.8
194.05907	0.9
197.04553	5.4
197.08206	100.0
197.82297	0.9
209.08180	0.7
211.06075	0.7
251.79343	0.9
287.88382	0.8
291.52231	0.8
344.11127	2.8
359.09464	2.3
359.13556	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20948	1.3
58.07233	1.2
59.01385	100.0
59.09137	1.1
62.93674	1.3
71.01381	42.8
85.02957	8.1
87.00925	1.5
89.02443	72.8
93.69234	1.5
95.01372	2.8
95.09025	1.3
98.88380	1.6
101.02447	27.4
113.02436	22.8
119.03504	19.9
120.66156	1.3
131.03484	1.7
135.04611	1.5
144.31073	1.6
149.02391	1.5
149.04515	1.5
164.04790	36.2
179.05589	7.9
179.07077	34.2
197.08104	2.8
306.08279	2.0
355.49780	1.3
359.13721	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03445	2.0
58.64177	1.1
59.01385	51.7
67.61000	1.1
71.01379	41.2
73.02939	10.7
75.00851	1.4
75.39343	1.2
83.01393	7.9
85.02943	14.2
87.00848	4.4
89.02438	19.8
95.01385	2.1
99.00855	2.6
101.02440	38.4
113.02451	19.4
119.03501	8.3
122.03712	11.5
123.04517	8.3
125.02444	1.7
131.03487	1.8
134.18536	1.4
137.06081	5.0
140.37151	1.2
147.03732	1.2
153.05576	1.9
161.04579	5.7
164.04756	4.6
166.38525	1.4
179.03561	2.6
179.05707	1.9
179.07188	6.6
182.05859	43.6
197.08200	86.6
241.07080	1.9
249.16415	1.3
299.11230	9.2
359.09644	6.4
359.13504	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	359.1502
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
54.40194	0.3
55.63566	0.4
59.01384	0.8
59.87643	0.5
65.00370	0.4
65.06747	0.4
66.02320	0.4
108.02126	0.6
109.02946	1.0
115.19260	0.4
121.02953	5.5
122.03741	3.1
123.00866	0.7
123.04503	0.7
124.01602	0.5
128.27341	0.4
135.04556	0.7
136.05307	2.7
137.02426	0.7
137.06068	0.7
143.05014	1.6
147.04543	2.2
149.02432	1.0
149.05994	0.7
150.03235	3.7
153.05537	0.5
158.03741	3.3
159.04515	8.9
160.05293	47.8
161.06075	9.1
163.04012	4.3
164.04822	4.6
173.06062	7.3
174.06848	4.0
175.07640	42.2
176.04755	1.6
177.05574	7.1
178.06354	27.3
191.07146	0.4
192.07936	13.5
193.08696	2.5
210.53767	0.4
213.14952	0.6
241.14421	0.7
298.12106	0.5
299.09412	0.5
314.11868	0.4
329.13971	100.0
333.41412	0.5
359.11145	0.6
359.15015	2.3
359.20776	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84038	1.3
58.95980	1.3
66.94661	1.3
68.82758	1.3
78.52156	1.3
87.18475	1.3
95.79738	1.2
109.02943	32.1
147.91422	1.6
159.04523	13.6
173.06093	10.2
189.05569	5.4
191.07178	6.8
203.07129	7.6
213.05603	1.9
241.05070	19.6
255.06604	19.1
269.08453	2.0
272.03488	1.7
287.05643	2.0
289.03632	2.0
299.05927	2.2
299.09161	17.4
300.06580	3.0
303.05377	1.8
313.10831	26.9
315.05142	2.1
315.12396	1.8
329.10251	14.9
343.11920	6.4
344.12680	29.3
359.03888	2.5
359.08301	14.8
359.15036	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	359.1864
Annotation	Methyl 8,16,16,17-bisoxide-acritoconfertoate
Peak:m/z	Relative Intensity
50.33213	0.5
59.01373	0.6
72.46524	0.5
88.13644	0.5
111.05186	0.6
166.99464	0.6
173.66685	0.6
179.07150	0.9
297.11301	0.8
315.15656	0.9
327.16016	57.4
329.17627	0.9
341.14130	1.1
359.14932	9.7
359.18680	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	359.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91528	2.7
68.37412	3.0
106.01535	3.3
153.05643	6.7
205.05145	6.1
271.13422	3.5
309.15051	51.3
327.16031	67.5
344.12485	4.2
359.11227	14.5
359.14886	47.8
359.18616	100.0
359.23105	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	359.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47801	0.8
65.74983	1.0
70.63612	1.0
101.82654	0.9
154.94652	1.2
158.13820	1.0
216.07973	1.3
217.08699	12.5
229.08707	7.9
230.09464	1.5
231.10297	1.8
243.10281	5.9
244.10907	1.4
245.08290	1.1
292.42426	1.0
297.14966	1.4
299.12994	6.1
300.13715	1.3
313.14377	1.5
314.15274	71.4
315.15851	1.8
329.17590	26.6
337.30368	1.1
341.13910	1.3
344.16306	55.5
359.15057	5.8
359.18707	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49236	3.2
56.66158	4.1
59.01373	19.1
63.73145	3.3
65.96738	3.3
233.19089	8.9
268.57037	3.6
277.18173	23.1
277.21710	100.0
311.92316	4.1
359.22116	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09835	0.6
59.01398	0.7
67.40668	0.9
95.47567	0.8
110.29037	0.7
151.38705	0.8
202.63071	0.7
223.20676	100.0
241.21680	1.5
267.19656	75.5
285.20734	79.3
311.43256	0.7
350.73535	0.8
359.15039	1.8
359.24405	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2439
Annotation	oscr#22
Peak:m/z	Relative Intensity
50.15023	0.7
50.93099	0.9
54.05845	0.7
58.21992	0.8
62.03922	0.7
63.47940	0.7
68.77668	0.7
113.50018	0.8
163.29570	0.9
223.20671	100.0
241.21774	1.0
267.19641	76.8
285.20712	70.5
298.95273	0.9
359.24396	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47102	0.4
59.37202	0.3
64.72658	0.4
80.75254	0.4
81.81521	0.4
123.56371	0.4
127.11314	0.4
131.32414	0.4
159.07210	0.4
162.53574	0.5
227.30203	0.4
295.63498	0.4
313.23853	8.1
316.47562	0.4
341.26990	3.0
354.00430	0.4
357.26331	0.6
359.28046	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	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10144	0.6
53.07486	0.5
53.87416	0.6
54.77562	0.6
57.03450	0.8
59.01383	70.8
96.09846	0.6
99.08042	0.6
126.81434	0.8
131.38873	0.6
132.23962	0.7
138.83604	0.5
197.92963	0.6
213.18616	2.9
279.23279	1.2
299.25980	8.0
313.14270	0.8
341.14078	1.2
341.26944	0.8
359.15079	11.0
359.28036	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	360.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.3
59.01385	6.5
67.91205	0.3
86.82778	0.3
101.13145	0.3
101.71178	0.3
108.02151	2.6
132.00459	0.3
138.01970	100.0
151.02718	0.4
249.15173	0.4
300.10837	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	360.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86751	1.2
60.11486	1.4
60.84275	1.5
75.44091	1.7
92.19386	4.6
108.39109	1.6
159.86507	1.6
182.09007	2.4
184.91460	1.5
217.08588	8.1
218.09065	8.4
229.08620	2.2
230.09070	7.7
231.31335	1.8
244.10681	3.1
300.13257	5.7
314.15067	10.8
315.15579	75.8
330.17944	29.0
342.14365	3.4
345.16629	48.9
360.15210	10.9
360.19022	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	361.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96314	2.8
61.18676	2.6
66.55709	2.7
75.00916	3.1
83.01385	6.6
83.78402	3.1
84.54910	2.9
85.02930	6.3
97.02959	23.2
109.02940	34.7
116.67712	3.2
121.02895	5.2
123.04507	26.0
125.02431	20.3
135.04562	4.6
137.02460	6.7
139.04022	15.0
149.02446	40.7
151.00330	4.4
151.04005	14.7
153.01968	18.2
161.02458	4.4
161.06105	4.3
163.00386	4.8
165.01909	38.2
166.02751	4.7
167.03503	4.9
175.03966	5.0
177.01888	6.7
179.03566	3.4
186.07266	3.1
188.04849	4.3
192.00513	4.2
193.01357	14.1
203.07072	16.7
205.01346	4.9
205.05046	18.6
212.10710	3.9
213.05646	5.9
221.08220	3.9
227.07198	3.4
229.05066	6.2
231.06607	7.0
239.70757	3.2
245.08170	6.7
247.06158	22.0
255.11546	3.8
273.07761	7.1
289.07178	17.4
315.04968	7.0
317.03247	4.8
317.06696	100.0
317.09982	4.3
343.04575	27.7
343.08951	4.9
361.02176	3.7
361.05759	45.9
361.09515	5.6
361.15189	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	361.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
63.02407	1.8
65.00327	4.3
78.05120	0.7
83.01381	6.4
89.02423	1.6
94.75517	0.7
101.02466	1.2
103.43367	0.6
107.01394	17.2
113.02484	1.2
123.04570	1.0
125.02416	4.8
137.09735	11.6
151.00372	100.0
155.10811	6.6
165.02019	1.0
169.01439	12.0
179.10889	1.3
199.00557	0.8
199.09790	13.5
223.09807	1.5
313.05688	41.9
317.06677	1.0
361.05875	3.9
361.16135	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	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74181	0.5
62.22776	0.5
71.77100	0.6
87.00890	0.7
89.39358	0.6
117.03468	2.3
119.04994	6.2
123.04488	4.7
134.03696	1.5
135.04515	5.7
145.02950	100.0
161.04506	3.9
163.03995	11.2
179.05692	4.8
180.00610	0.7
182.99379	1.1
195.03014	1.0
279.44540	0.6
312.71353	0.6
325.09286	59.8
345.79266	0.9
361.07986	1.3
381.23129	0.7
383.38953	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	361.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
59.47285	0.6
67.89312	0.7
69.24466	0.6
71.01373	1.3
73.02975	0.8
89.02415	0.8
96.96955	0.8
101.02431	1.6
109.02917	0.9
113.02440	0.7
123.00865	5.1
124.01664	0.9
137.02448	1.3
138.03227	9.7
139.00383	13.3
139.04019	1.2
140.01164	13.5
145.02956	0.9
155.03510	14.4
164.98294	27.4
165.01921	0.8
165.99025	0.8
181.01454	11.7
181.05179	0.8
182.99350	100.0
185.00911	1.1
198.01723	2.9
199.02493	3.4
301.09235	4.1
328.04456	2.7
337.59259	0.7
346.05420	18.9
351.17801	0.7
361.07788	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69131	0.8
67.13329	0.8
69.42831	0.9
70.26496	0.9
70.81121	0.8
140.01167	12.7
155.03517	17.2
164.98311	15.1
166.77850	1.0
180.00676	16.1
181.01418	4.1
182.99356	67.2
183.00996	2.4
198.01714	71.9
199.02437	2.3
315.65948	0.9
321.25903	0.9
343.02744	0.9
343.06296	7.6
361.07788	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	361.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.4
60.59604	1.0
71.01372	2.5
85.02925	1.7
89.02431	1.7
101.02435	5.0
113.02431	2.2
123.00886	10.0
124.01643	5.4
125.02375	1.8
125.29088	1.3
138.03223	19.7
139.00378	16.1
139.04010	5.0
140.00203	2.1
140.01161	35.0
145.02956	2.0
151.04007	5.0
155.03490	15.0
161.04544	2.2
164.98277	22.5
165.01981	2.2
165.99197	1.3
181.01419	6.0
181.05029	6.7
182.99345	100.0
186.66377	1.2
198.01691	24.0
198.05321	5.3
199.02490	1.9
199.06133	14.3
205.01465	1.3
250.29735	1.1
301.09323	11.0
302.06030	1.2
325.09180	1.8
328.04367	2.4
346.05399	16.6
361.07703	98.1
361.11523	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	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69198	0.5
53.15821	0.4
56.25289	0.4
57.02856	0.4
59.01107	0.5
59.01378	0.8
68.60890	0.5
68.99829	0.5
69.03465	0.6
69.21803	0.4
75.00859	2.4
83.01350	0.7
85.02958	3.0
87.00842	0.5
97.02934	2.9
98.35500	0.5
104.05058	5.4
109.02953	3.1
113.02447	2.1
117.47118	0.5
118.38243	0.5
121.02981	0.8
122.06119	2.1
123.04505	2.0
124.07655	1.2
125.02441	3.0
137.02477	1.9
139.04013	1.1
148.04051	100.0
149.02393	4.2
150.05611	0.8
151.04004	2.9
153.01952	2.4
157.01453	4.0
161.06136	0.5
163.03987	1.0
165.01942	5.0
166.02769	0.7
167.03517	0.8
174.01988	2.7
179.03531	0.8
185.11855	0.6
187.04068	0.6
188.04837	0.6
192.03036	49.6
203.07159	1.0
205.05096	2.2
212.10822	3.5
213.10304	0.6
227.07083	0.6
229.05002	0.8
231.11414	0.6
244.07448	1.0
247.06134	0.9
255.11368	4.0
257.04672	0.7
272.06998	2.0
274.08841	0.6
289.07285	2.6
289.10794	2.5
317.06744	8.6
343.04654	3.8
343.09323	2.1
361.05673	4.2
361.10330	20.2
361.15137	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	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23431	1.5
50.32932	1.7
59.01390	7.3
72.42906	1.9
73.02950	3.8
85.02966	1.7
104.05077	3.7
106.06608	8.1
121.05316	4.5
122.06093	8.4
123.04440	2.0
124.01634	17.9
124.07682	8.1
132.04564	7.1
134.06111	11.6
138.05615	3.1
139.04010	100.0
148.04053	46.4
149.02414	2.9
150.05629	4.4
160.04021	3.7
161.04568	9.8
163.03987	2.0
178.05066	8.1
182.06143	2.3
184.01958	7.7
185.02882	2.8
192.03026	14.4
192.06691	1.9
199.04367	9.1
200.07193	4.0
212.10818	43.1
213.10388	11.1
226.07571	7.9
230.11806	2.9
231.11320	4.6
240.09099	3.4
255.11406	64.7
273.12509	3.5
299.10339	12.6
301.09137	3.9
317.11435	3.6
324.12683	2.0
343.09302	42.4
361.10397	90.8
361.14905	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	361.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29354	1.3
53.73317	1.0
57.33643	1.1
59.01371	2.7
70.90520	1.4
73.02953	1.8
83.45586	1.4
97.11718	1.4
122.06086	5.4
132.04556	1.5
136.04060	2.9
148.04031	11.0
149.04811	5.5
208.11655	1.4
212.10847	33.4
213.10326	5.9
226.07535	4.5
229.09912	1.5
230.11850	2.3
235.48753	1.5
240.09053	5.9
255.11407	57.7
256.09772	2.7
260.50223	1.5
273.12433	8.4
275.97754	1.4
299.10379	8.9
317.11295	1.8
343.09427	13.3
361.10410	100.0
361.14566	4.1
361.22333	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	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
60.53773	0.5
61.96994	0.5
67.56157	0.5
71.01380	2.8
73.02934	1.1
79.63128	0.5
82.91240	0.5
95.38093	0.5
101.02432	0.9
102.06391	0.5
113.02438	0.5
124.01675	10.0
134.06145	0.8
139.04010	100.0
148.04054	3.7
151.03949	0.6
161.04538	5.9
163.03926	0.8
173.90601	0.6
174.12210	0.5
212.10783	3.0
213.10318	0.7
255.11380	3.1
281.25238	0.5
294.16925	0.5
301.09274	8.3
343.09558	2.1
361.10123	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	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.1
71.01372	9.4
73.02932	1.9
89.02424	2.1
89.61208	2.1
94.17702	2.0
101.02437	8.8
106.49976	1.9
109.02923	2.0
113.02406	2.5
123.00893	21.4
124.01613	2.7
137.02448	3.6
138.03241	54.2
139.00397	28.9
139.03986	12.1
140.01158	49.5
145.02934	1.9
150.03209	8.6
151.03998	23.6
155.03503	10.0
161.04596	4.5
163.03943	7.0
164.98250	9.4
165.01842	2.4
166.02736	2.0
177.01913	2.5
181.05063	4.7
182.99345	86.5
184.00125	7.5
198.01717	42.6
198.05351	4.3
199.02486	6.7
199.06059	8.3
201.96162	2.0
246.14716	2.0
301.09323	31.0
313.09189	9.1
346.05341	7.4
361.07687	100.0
361.11447	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	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.91155	0.6
59.01379	2.9
64.95443	0.7
69.08179	0.6
71.01398	1.4
73.02953	1.2
82.89654	0.6
85.02937	0.7
87.04514	4.2
101.02426	3.2
110.69457	0.6
137.09737	18.8
151.11255	1.1
155.10777	100.0
167.10757	0.9
169.12286	4.8
181.08728	8.1
199.09766	58.4
213.11339	1.7
241.10829	14.7
271.11856	4.1
301.12933	14.2
327.16095	0.7
361.15112	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	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
60.23937	1.2
70.58031	1.6
73.02943	2.8
80.70728	1.4
82.13395	1.3
85.06584	1.8
89.32309	1.2
97.06587	14.0
101.02428	4.9
111.68044	1.4
130.80635	1.2
135.08165	5.9
137.09708	26.6
142.93896	1.2
151.11290	1.6
155.10783	100.0
160.49973	1.4
169.12320	10.6
175.11269	25.6
179.10747	10.3
181.08701	8.8
199.09775	63.5
223.09724	8.9
231.17607	5.0
241.10776	9.5
245.15408	6.0
271.11783	4.8
273.18646	17.1
301.12900	18.6
317.17593	37.9
361.16528	22.3
367.24655	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	361.1509
Annotation	Gibboside
Peak:m/z	Relative Intensity
59.01391	9.2
65.61700	1.0
71.01393	1.8
76.35438	1.2
85.02961	1.1
89.02439	5.2
101.02441	1.5
123.32142	1.0
137.09720	14.6
150.34380	1.1
155.10797	100.0
169.12291	1.2
173.73900	1.1
181.08725	1.8
199.09787	80.1
223.09770	2.6
241.10840	1.9
361.15289	6.1
361.33289	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	361.1507
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.91900	0.9
58.52649	0.8
59.01390	1.9
71.28764	0.9
73.02937	2.1
78.61320	0.9
85.02972	1.3
89.00607	1.0
101.02430	2.0
101.14491	1.2
113.35471	1.2
137.09731	17.3
137.58896	1.0
151.11281	1.5
155.10782	100.0
169.12350	7.7
174.10437	1.1
179.10776	4.4
181.08693	4.6
182.07907	1.1
199.09776	59.8
223.09752	5.4
241.10780	8.5
257.13342	1.0
272.10547	2.3
301.12988	9.9
361.15646	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
71.01416	1.8
73.02949	3.5
80.40226	1.9
85.06604	4.6
87.85389	1.9
93.38306	2.0
97.06599	24.6
99.60896	2.4
101.02449	3.4
123.53613	1.9
135.08182	11.4
135.78741	2.3
137.09717	26.8
139.57265	2.0
155.10786	100.0
169.12433	6.4
175.11299	64.8
177.12828	2.6
179.10759	12.7
181.05119	2.8
199.09773	72.3
203.14555	2.0
204.11485	2.0
223.09782	18.1
231.17545	7.7
241.10745	4.9
245.15437	12.6
273.18607	30.6
301.12906	19.7
312.24707	1.9
317.17633	87.2
341.90414	2.1
352.33395	2.2
361.16602	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	361.1656
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
56.64042	0.5
58.42477	0.4
100.85886	0.5
160.40726	0.5
165.05310	0.5
166.30029	0.5
244.39246	0.5
255.10536	0.6
287.54507	0.6
313.14444	0.8
329.14001	2.2
331.15662	0.8
343.15552	12.5
361.13354	6.8
361.16696	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09972	0.3
52.72824	0.4
52.79709	0.4
55.71706	0.4
55.85309	0.4
58.70105	0.4
65.93023	0.5
69.91004	0.4
70.98815	0.4
114.48882	0.4
117.64835	0.5
120.96359	0.5
222.27251	0.5
229.16168	0.7
232.24171	0.5
289.18222	0.5
301.14453	6.0
313.14539	4.7
331.15546	58.2
343.15448	0.5
361.16614	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11008	0.7
57.01800	0.8
59.67945	0.8
61.47421	0.7
65.71613	0.8
65.84311	0.8
66.68244	0.7
68.08692	0.7
90.73816	0.9
109.02941	5.9
121.02952	14.2
122.03741	26.3
123.04491	1.6
134.03722	0.9
135.04532	1.1
136.05301	4.2
137.02420	1.9
138.29698	1.2
147.04498	4.4
149.06062	1.3
161.06056	1.7
163.70927	1.3
165.05569	45.4
168.04274	1.0
179.07156	12.8
184.29413	0.8
187.03137	0.8
191.07059	0.9
315.12393	5.5
346.14169	8.5
360.04666	1.1
361.16605	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	361.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86735	0.5
57.13671	0.5
59.01386	0.5
62.50863	0.6
81.42649	0.6
135.04543	0.8
136.04881	0.9
166.06274	1.1
203.07129	0.9
228.40157	0.6
230.39687	0.6
256.11060	2.5
289.18079	0.8
299.12936	2.1
301.14508	6.1
313.14468	2.4
317.13885	0.7
317.17599	1.1
329.13910	1.1
331.15527	55.1
343.15442	0.8
361.16608	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	73.5
60.59688	3.3
65.06655	3.9
71.01398	31.1
75.74531	3.2
83.05029	17.7
84.64616	3.4
85.02970	4.7
87.14772	3.5
89.02444	38.8
101.02454	26.8
113.02453	15.3
119.03480	15.3
125.91363	3.7
136.40120	3.8
154.25092	3.7
155.10658	3.7
175.03415	3.4
175.11270	3.8
223.11627	4.0
240.76184	4.1
273.18625	7.9
317.17636	19.9
331.15500	20.5
361.18491	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40230	0.6
55.01881	1.1
57.03453	1.3
59.01381	19.4
69.75377	0.8
71.01378	15.3
73.02952	4.2
80.01134	0.8
83.01401	4.0
85.02942	8.0
85.79317	0.7
86.00068	0.7
89.02459	6.8
92.19485	1.0
97.02941	1.2
99.00892	0.8
101.02449	13.6
113.02455	5.9
123.04565	1.1
139.07623	1.3
155.10786	1.7
158.59534	1.0
165.09322	1.1
172.25743	0.9
181.12346	1.7
199.09787	1.3
199.13435	12.6
297.92987	1.0
317.17657	0.9
343.17786	1.5
361.09302	4.0
361.18820	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86744	2.5
59.01184	1.7
59.01393	27.3
60.50807	2.1
63.00195	2.3
63.86719	2.3
63.89617	2.1
64.17457	2.3
71.01048	2.7
71.01382	20.9
73.02929	2.4
85.02987	3.3
89.02438	12.6
101.02435	19.8
109.02969	9.5
113.02451	2.7
121.02975	20.1
122.03732	29.2
141.43596	2.6
147.04495	3.3
152.36356	2.5
165.05585	46.0
170.07433	2.7
179.07153	15.6
181.12294	4.9
199.13428	10.9
221.86363	2.6
273.18610	2.8
315.12415	5.4
340.58676	2.9
361.18530	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	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	2.1
59.01387	41.2
59.01685	1.5
62.03733	0.9
71.01381	23.8
73.02953	2.4
74.76529	1.0
80.37225	1.1
82.72858	0.9
83.01417	1.1
85.02966	5.4
89.02438	19.9
92.20091	1.2
101.02436	20.4
113.02466	6.7
119.03497	5.1
165.05647	1.9
181.12383	4.4
248.94412	1.1
361.18805	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	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78049	0.4
53.97426	0.6
55.89816	0.5
59.01390	14.5
80.99798	0.5
89.04545	0.6
89.62865	0.6
93.38898	0.6
154.64445	0.6
279.23303	100.0
356.95636	0.7
361.13458	2.4
361.23648	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87461	0.5
59.01384	14.9
91.35384	0.7
142.21214	0.7
264.20389	0.7
279.23300	100.0
304.66037	0.7
361.23621	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27882	1.2
59.01386	100.0
59.99538	1.2
89.02438	6.2
90.18272	1.3
91.04000	16.2
112.56940	1.5
197.19159	2.6
211.17006	2.9
214.74565	1.3
225.18578	5.4
227.17940	2.2
227.20181	55.4
244.20105	1.4
269.21158	6.2
285.21005	1.7
287.22238	10.7
317.17517	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	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41705	1.1
57.03445	1.5
59.01382	35.4
69.47702	1.3
71.01376	9.3
73.02950	6.9
81.03462	1.7
83.05030	6.9
85.02938	5.8
88.49398	1.4
89.02448	9.1
99.04507	1.9
100.93797	1.3
101.02460	9.2
106.06628	18.2
112.04027	2.6
113.02438	5.7
119.03497	1.9
120.04546	1.3
123.04534	2.2
124.04030	5.9
124.07638	5.0
132.04530	13.3
133.04387	1.3
133.05322	12.5
134.06122	66.3
140.07155	2.0
148.04025	9.1
150.03223	5.1
150.05626	5.3
165.04297	2.1
165.05589	5.2
167.03514	2.7
177.04234	1.3
178.05096	100.0
183.10304	2.3
184.06145	9.3
195.06665	1.6
201.11189	2.1
214.12390	2.2
229.09859	2.7
247.07198	1.7
257.12967	8.0
301.11981	7.2
319.12738	3.3
345.10980	14.8
363.11954	71.4
363.16779	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04595	1.1
61.39275	0.9
121.02943	2.6
122.03729	5.5
134.03725	12.4
135.04524	4.1
146.03732	14.8
149.06079	21.7
150.03224	2.2
161.06067	11.8
164.04774	7.7
165.05569	15.4
166.06369	16.6
167.07130	100.0
179.07137	38.4
221.08162	5.7
290.72107	1.1
315.12457	9.4
327.12329	7.1
363.18430	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41557	0.7
59.01386	1.1
78.95705	0.8
83.05000	0.8
85.02971	1.1
93.80567	0.9
97.06624	0.9
117.03442	1.1
119.05023	74.0
137.09712	3.7
145.02957	27.1
155.10756	6.8
163.04016	100.0
166.44016	0.9
171.10263	5.0
199.09793	10.8
211.13455	1.5
217.10823	5.5
257.51633	0.8
327.21793	15.8
352.43433	1.0
363.14404	7.3
363.18231	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	363.1453
Annotation	[3S-(3R*,8R*,9R*,11E)]-3,4,5,6,9,10-Hexahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
Peak:m/z	Relative Intensity
51.29497	0.8
56.97342	0.9
92.20139	1.1
96.93382	0.8
101.49767	1.1
153.01941	1.4
255.06578	2.1
256.07245	2.2
257.79276	1.1
268.07764	1.2
270.09021	21.6
283.09702	8.0
286.08530	4.1
292.90009	1.0
300.10062	13.2
301.10831	91.8
302.07935	7.5
303.08768	4.1
315.12476	9.9
318.11157	18.7
348.12183	1.6
350.10144	7.3
363.14529	100.0
363.18167	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	0.5
57.03448	3.1
57.22023	0.5
59.01384	72.7
61.30362	0.5
71.01382	13.2
73.02930	0.9
85.02944	2.5
89.02435	14.1
92.19402	0.7
101.02448	14.1
113.02437	5.9
119.03497	6.1
123.08195	0.7
152.63521	0.7
183.10291	2.5
310.33038	0.6
363.16635	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.1
59.01384	62.9
63.80347	0.9
65.32481	0.9
70.61145	1.0
71.01377	14.3
72.99305	1.1
73.02933	2.2
83.01365	1.4
85.02945	5.5
89.02435	11.4
97.42625	0.9
101.02446	18.0
113.02422	7.0
119.03524	2.3
122.33153	0.9
123.08142	1.1
124.11466	1.0
157.01234	1.1
175.93524	1.0
183.10286	5.9
363.16638	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13442	0.9
57.03460	1.5
59.01384	71.8
71.01386	15.1
73.02949	1.2
83.35072	0.9
85.02946	1.5
86.40569	1.0
89.02452	12.9
101.02435	14.9
113.02478	8.2
115.36546	1.1
119.03493	6.1
172.54460	1.1
274.34671	1.2
363.16626	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	363.1815
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
54.87229	1.1
66.48701	1.0
67.08496	1.0
70.78577	0.9
79.18699	1.0
80.79942	0.9
91.06475	1.1
102.16661	1.0
137.55402	1.0
150.10110	1.0
177.22191	1.1
212.92180	1.0
233.36421	1.0
241.15979	23.9
255.17589	2.0
257.19110	18.4
275.20218	5.4
283.17014	4.7
301.18121	67.5
319.19107	10.3
345.16962	10.8
349.88306	1.1
363.18137	100.0
367.42957	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	363.1816
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
50.46323	0.6
54.92983	0.6
55.59795	0.7
59.62038	0.6
82.08391	0.7
101.16901	0.7
121.01324	0.8
185.58014	0.7
201.96176	0.9
215.82288	0.7
241.15990	20.6
244.66158	0.7
255.17543	3.1
257.19092	23.0
275.20157	5.2
283.17093	3.2
301.18112	66.5
319.19086	8.3
345.17075	12.3
363.18164	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	363.1815
Annotation	Smardaesidin A
Peak:m/z	Relative Intensity
69.72155	1.4
73.62749	1.3
80.34071	1.1
93.95026	1.1
104.67771	1.2
104.72301	1.1
123.04521	1.1
125.02457	2.1
132.47440	1.1
137.02473	1.5
161.02478	1.4
161.09653	2.6
167.03584	1.6
177.01884	4.6
211.39272	1.5
215.33423	1.2
283.17075	1.9
291.19659	19.2
303.16156	6.8
315.16064	5.1
319.08261	1.5
319.19025	1.8
333.13989	1.2
333.17087	70.2
363.14600	6.5
363.18188	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	363.1815
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
57.45002	1.2
59.01392	1.2
79.38928	1.6
97.06555	1.9
105.60778	1.9
119.04971	1.7
123.71724	1.7
135.08154	9.8
137.34721	1.4
140.77963	1.5
149.09631	1.9
163.11285	2.6
173.72572	1.4
175.11308	2.1
180.57430	1.5
197.92804	1.5
207.13809	1.6
219.17535	54.1
257.18903	1.7
264.98050	1.6
271.42221	1.5
275.20166	79.2
291.19763	2.1
319.19144	100.0
330.83722	1.5
363.14716	2.6
363.18176	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1815
Annotation	Gelomulide I
Peak:m/z	Relative Intensity
56.34840	0.5
62.62450	0.5
87.95633	0.6
97.19622	0.6
99.98120	0.6
119.89235	0.5
128.70686	0.6
141.76964	0.5
145.96454	0.5
217.08824	0.6
231.10254	34.0
232.11116	0.6
245.11794	7.4
252.40385	0.7
259.13446	1.1
261.14944	3.7
262.05038	0.6
271.09811	0.7
287.12787	4.5
291.16083	9.4
301.18137	2.8
306.77914	0.6
319.19153	37.1
332.47586	0.6
345.17096	51.9
363.18164	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	363.2519
Annotation	Ciprostene
Peak:m/z	Relative Intensity
95.55177	0.4
130.20944	0.4
134.07961	0.3
178.83086	0.4
279.19482	0.6
287.19821	0.8
290.89529	0.3
295.26443	12.2
313.21539	3.0
315.23087	13.2
333.24136	1.3
335.25595	2.8
345.23972	0.7
347.22079	4.7
363.25204	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	365.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.4
64.50309	1.5
71.01369	10.2
86.01643	1.5
87.91668	1.5
89.02431	8.5
101.02423	6.1
113.02422	4.1
132.97528	1.5
142.41905	1.6
143.07095	9.7
145.02878	2.3
145.06544	1.8
151.03979	2.0
163.03978	3.9
167.03488	14.9
171.04536	6.2
173.02444	8.7
173.06044	8.9
175.04126	2.9
177.01846	2.1
179.03487	2.1
181.05070	3.0
182.94444	1.7
189.01950	7.9
189.05592	3.6
190.02695	11.0
191.03513	56.7
198.03143	2.0
199.04047	29.5
199.93071	1.7
201.01955	7.8
201.05609	11.7
203.03474	2.3
205.06146	2.8
206.02309	12.0
207.02966	13.1
208.03703	6.6
209.04559	9.9
215.03444	6.5
217.01457	2.2
217.05014	31.4
219.02983	15.5
226.02678	2.4
227.03519	58.0
229.01421	11.1
230.02155	6.8
233.04570	3.8
234.01704	7.0
243.02966	19.7
244.03731	2.3
245.04504	31.5
247.02432	11.6
261.04065	15.8
262.04816	2.4
271.02475	3.9
277.08243	2.4
289.03549	100.0
305.12439	2.3
321.06180	73.6
329.08820	36.5
333.02536	2.7
365.05164	49.2
365.09247	3.6
365.18179	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	365.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58434	1.0
55.60402	1.0
56.73735	0.9
59.01376	6.3
62.26793	1.1
71.01379	2.0
73.02943	1.1
86.44746	1.2
89.02426	1.6
101.02426	1.5
108.02161	15.0
111.96963	1.3
113.02428	1.7
123.04514	18.3
123.85926	1.2
141.98929	1.3
149.41937	1.2
152.00050	1.4
152.01147	22.0
167.03491	100.0
181.75191	1.2
191.03551	1.5
206.02153	2.6
216.04349	1.2
217.05028	2.2
227.03465	6.8
245.04471	2.1
256.12723	1.3
267.93253	1.3
289.03436	9.2
321.06122	10.1
329.08777	19.1
365.10162	1.2
365.14520	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	365.0879
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
53.78639	0.5
59.01381	4.0
59.44156	0.4
61.00116	0.5
65.16656	0.5
84.31963	0.6
89.02467	0.8
90.49089	0.6
101.02453	1.0
122.90169	0.6
131.94577	0.6
158.03735	11.5
159.04533	4.9
171.04509	2.3
173.06041	0.8
180.26009	0.6
201.05664	0.6
202.02734	100.0
203.03522	2.3
203.07097	0.7
209.11723	0.7
213.05577	1.1
305.15912	0.6
321.20718	0.7
321.83417	0.6
365.08789	50.3
365.19571	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	365.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
71.01341	1.1
83.34353	0.3
85.02953	0.5
89.02437	1.6
96.88414	0.3
101.02420	0.6
113.02460	0.6
119.03448	0.4
122.03728	0.9
122.39054	0.3
151.04021	0.8
167.07126	100.0
183.88748	0.3
185.08243	0.4
192.24409	0.3
200.08478	0.7
251.00571	0.4
259.09604	0.4
264.25778	0.3
305.12198	0.5
329.12433	30.2
365.08786	2.2
365.13605	1.0
365.18103	0.4
385.16190	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	365.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
71.01341	1.1
83.34353	0.3
85.02953	0.5
89.02437	1.6
96.88414	0.3
101.02420	0.6
113.02460	0.6
119.03448	0.4
122.03728	0.9
122.39054	0.3
151.04021	0.8
167.07126	100.0
183.88748	0.3
185.08243	0.4
192.24409	0.3
200.08478	0.7
251.00571	0.4
259.09604	0.4
264.25778	0.3
305.12198	0.5
329.12433	30.2
365.08786	2.2
365.13605	1.0
365.18103	0.4
385.16190	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	365.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51563	0.6
61.74249	0.7
62.58454	0.6
64.49592	0.6
70.44244	0.7
78.68346	0.7
90.61597	0.7
93.40802	0.7
115.71145	0.8
141.09258	1.5
143.07137	1.7
148.80177	0.7
167.07129	100.0
170.41269	0.7
173.85832	0.8
203.09251	1.4
275.23502	0.9
289.07187	1.1
329.12448	26.8
365.09720	0.8
365.14523	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	365.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95267	11.2
54.16234	11.7
59.01379	93.3
71.01364	16.7
81.81593	15.6
89.02423	26.7
112.65359	12.6
145.53275	11.9
148.98433	12.1
152.18773	13.0
158.27827	12.5
191.03394	43.6
207.28815	12.5
216.46156	13.7
217.04988	15.3
227.03496	50.2
245.04419	24.7
289.03601	92.0
321.06097	86.8
330.22159	15.5
365.10004	100.0
365.18192	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
71.01341	1.1
83.34353	0.3
85.02953	0.5
89.02437	1.6
96.88414	0.3
101.02420	0.6
113.02460	0.6
119.03448	0.4
122.03728	0.9
122.39054	0.3
151.04021	0.8
167.07126	100.0
183.88748	0.3
185.08243	0.4
192.24409	0.3
200.08478	0.7
251.00571	0.4
259.09604	0.4
264.25778	0.3
305.12198	0.5
329.12433	30.2
365.08786	2.2
365.13605	1.0
365.18103	0.4
385.16190	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	365.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14927	0.8
54.09807	1.0
54.68787	1.2
59.01382	2.0
59.44617	0.9
67.41228	1.0
69.39366	0.8
71.01369	1.0
72.99311	2.4
81.86636	0.9
85.02934	1.5
87.00858	1.8
88.77731	1.1
92.61869	1.0
93.03416	2.4
93.33438	0.9
93.94169	0.9
99.00875	1.3
101.02484	1.2
110.68362	0.9
111.04524	6.6
111.07067	1.1
129.05513	1.5
137.71915	1.0
155.03491	11.5
173.04546	13.7
191.05629	100.0
209.38402	1.0
246.09601	1.1
365.10599	4.7
386.52173	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	365.1395
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
51.22786	1.0
59.01369	2.6
62.69044	1.1
71.01379	4.2
92.57448	1.1
111.35522	1.3
145.52455	1.1
146.02226	1.2
147.67021	1.3
163.07608	2.2
171.99962	1.1
175.07564	2.7
188.04793	45.1
189.05501	2.1
191.07069	2.6
203.05299	2.4
203.07147	69.1
259.17139	2.2
273.09180	11.5
279.06607	1.7
288.11658	10.2
291.10275	2.9
293.11929	4.5
294.12454	6.2
304.10989	1.3
306.12619	10.0
307.06061	1.7
307.13190	4.2
321.11136	1.9
321.14368	1.6
322.08405	2.8
322.11996	1.9
337.14291	5.4
347.18274	1.4
350.11676	1.7
365.13821	100.0
365.19656	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57421	0.5
55.01886	0.6
59.01385	11.1
59.26066	0.6
71.01394	6.0
73.02946	3.3
79.46102	0.6
79.46674	0.7
83.01378	1.4
85.02969	4.8
86.39540	0.7
89.02417	1.1
92.19396	1.4
101.02436	12.2
113.02432	4.1
157.12415	1.2
203.12924	11.2
205.22127	0.7
248.23402	0.7
268.99670	0.6
347.17169	1.2
365.18173	100.0
369.75443	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.66151	1.3
69.03420	1.8
70.78529	1.6
71.01383	11.9
73.02951	3.6
83.01392	1.6
85.02977	2.3
89.02458	2.1
101.02438	9.8
113.02473	2.7
143.10751	2.1
161.04541	6.9
266.45932	1.7
305.16068	28.0
365.18729	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.11250	0.8
64.92635	0.9
70.05318	0.8
71.01373	9.6
73.02945	5.1
83.01403	1.4
85.02971	4.5
89.02445	5.3
92.19408	1.1
99.00872	1.7
101.02429	9.8
103.96642	0.9
113.02474	8.4
125.02464	1.1
141.91054	0.9
157.08800	1.3
158.78362	0.9
159.03143	1.1
159.04489	1.1
161.04507	2.2
163.04146	1.3
167.07176	1.5
203.12910	1.6
219.10234	1.4
241.82977	0.8
275.16620	1.0
305.16122	17.3
321.09784	1.8
365.08826	7.3
365.18240	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.8
71.01373	11.1
73.02947	9.8
83.01362	1.4
85.02956	7.2
90.33535	0.8
92.20073	1.0
99.00870	1.2
101.02438	15.4
113.02410	4.9
129.48291	0.7
130.11388	0.9
143.07138	0.9
159.02998	1.4
161.04579	2.0
203.12831	1.1
305.15912	2.9
365.18170	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	365.197
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
60.04277	0.6
72.99348	0.7
87.04507	0.7
96.63293	0.6
115.21866	0.7
141.09216	3.1
210.59605	0.7
303.19510	0.8
321.17313	1.0
321.20636	5.5
347.18701	7.0
365.16403	3.9
365.19733	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	365.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
60.72573	1.2
63.84026	1.2
99.08165	2.1
139.11232	4.4
171.10315	13.2
209.11841	1.8
210.41336	1.4
211.13390	28.1
229.14407	17.8
272.40005	1.2
321.89276	1.4
329.23361	100.0
335.74728	1.3
362.50992	1.4
379.83530	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71773	0.7
52.24085	0.9
53.80643	0.8
54.04502	0.8
59.01380	3.6
71.05022	4.0
96.95982	1.9
105.20789	0.8
111.08146	9.9
113.09674	1.1
122.17096	0.8
135.11797	0.8
137.98895	0.9
167.10750	1.4
177.12860	3.5
195.13892	10.1
235.16949	0.8
247.20650	2.0
273.18668	1.3
291.19681	100.0
365.23706	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	365.2332
Annotation	15-epi-Sibiricinone D
Peak:m/z	Relative Intensity
56.88280	0.9
59.01393	1.2
63.83237	0.8
66.84904	0.9
97.06550	1.3
111.08166	1.8
121.10238	10.8
122.25193	0.9
125.09730	7.8
137.43585	0.9
185.11829	14.1
195.13892	2.3
197.11893	2.1
209.11839	1.7
210.03835	1.0
211.13388	1.7
223.13557	0.9
247.20753	1.6
273.18488	1.5
291.19672	100.0
365.23483	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	365.2334
Annotation	15-cyclohexyl pentanor PGF2alpha
Peak:m/z	Relative Intensity
53.00483	0.5
57.03457	0.9
61.26808	0.5
62.50057	0.5
81.03458	8.8
83.01427	0.7
83.05018	1.0
83.38457	0.6
96.96004	0.5
106.98965	0.6
113.09696	1.4
122.03722	0.8
125.02460	11.0
148.14737	0.6
151.00359	1.1
277.21866	0.7
279.23398	4.2
281.21155	2.3
303.23447	2.2
321.24353	16.2
365.23346	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	365.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15414	69.0
55.47265	69.5
56.42596	72.3
65.77274	71.9
92.45293	100.0
234.09981	83.9
328.08856	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2699
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.11567	1.8
50.96871	1.7
54.57289	1.9
56.52843	1.7
57.89578	1.9
63.92397	1.6
68.38808	2.1
72.71665	1.7
73.19596	1.8
80.58760	1.7
82.25483	1.9
94.70956	1.8
99.08177	3.5
116.00136	1.8
119.98668	2.0
127.34422	1.8
130.23871	2.1
151.84906	1.8
153.68462	2.0
169.83824	2.3
171.10294	13.5
305.12488	1.9
315.19846	2.1
337.27451	17.0
347.26096	4.4
365.23676	3.9
365.27023	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	366.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
65.77116	2.0
77.74104	2.1
78.65555	2.5
125.02425	31.7
133.76955	2.5
153.01930	3.0
168.95438	2.7
175.03964	3.3
177.01923	4.9
199.03989	5.0
217.05057	3.6
234.05794	2.4
285.04041	21.4
295.66681	2.5
303.05112	34.0
316.19278	2.3
378.12878	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	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75323	0.3
51.65141	0.3
59.69513	0.3
64.32417	0.3
79.79023	0.3
132.04556	2.3
159.03267	7.5
160.04036	100.0
204.02957	4.3
322.09341	9.1
366.08298	26.7
371.53122	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	367.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29066	0.8
67.01897	6.5
71.46381	0.9
73.02946	8.4
81.03442	1.5
81.42613	0.8
83.05048	1.9
85.02940	1.6
93.03446	16.6
99.00888	1.5
99.04525	9.3
111.00879	100.0
111.04530	11.3
128.66701	0.9
133.01398	0.9
137.02473	9.3
143.03502	38.5
155.03513	1.9
173.04549	31.3
190.96851	0.8
238.12573	0.9
265.21655	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	367.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71939	2.9
72.13529	2.3
73.02947	19.7
83.05025	4.2
93.03452	39.6
99.00898	3.8
99.04513	13.9
101.02421	3.9
111.00903	10.7
111.04523	30.9
118.15522	2.7
130.50032	2.5
133.39366	2.5
133.94174	2.6
137.02438	17.5
137.07300	2.8
143.03506	4.5
147.27298	2.8
155.03496	15.7
168.59595	2.8
173.04532	100.0
236.80580	2.5
311.90686	3.1
367.08853	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	367.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	0.7
61.03199	0.5
67.01876	5.4
71.01360	1.0
73.02953	8.0
73.93850	0.5
80.76546	0.6
81.03468	0.9
83.05019	1.4
85.02937	2.8
93.03454	14.7
99.00874	3.1
99.04519	10.3
101.02457	1.0
111.00875	100.0
111.04521	7.1
115.00249	0.7
115.03972	1.1
129.01953	1.1
137.02454	7.1
143.03505	35.3
155.03476	3.3
160.03935	0.7
161.04398	3.0
168.99898	3.7
173.00874	0.6
173.04538	32.8
176.08417	0.9
187.02452	1.1
187.04077	0.6
198.39761	0.6
202.06287	0.7
278.98083	0.8
303.63882	0.6
322.96738	1.1
323.09290	0.9
326.25244	0.7
366.95346	0.7
367.10287	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	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27048	2.0
53.61392	2.3
59.01098	4.6
59.01384	100.0
66.28286	2.0
71.01398	21.4
73.02950	10.4
85.02926	5.1
89.02439	13.3
95.59416	2.3
101.02459	26.5
113.02448	70.1
117.35142	2.7
119.03522	3.0
125.65937	2.4
127.76350	2.6
128.07393	2.7
145.05067	28.3
145.08702	51.6
161.04520	5.9
235.11900	24.7
367.16147	62.6
367.20700	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01383	21.7
59.61512	2.8
71.61384	2.9
73.02952	3.0
78.60835	3.0
80.96539	3.6
83.05035	3.6
85.02923	3.4
86.89402	3.1
87.00867	17.1
89.02434	3.0
109.06520	3.1
112.43616	3.6
113.17584	3.2
121.34662	3.0
163.11263	5.5
175.11264	14.5
186.93745	3.5
187.11290	4.0
205.12321	35.3
367.10385	3.9
367.14444	13.3
367.17514	9.4
367.21317	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	367.1552
Annotation	Kanzonol P
Peak:m/z	Relative Intensity
65.90276	0.4
174.80896	0.5
202.98692	0.4
263.16501	1.0
265.18106	9.4
269.91934	0.5
294.09073	2.5
309.11227	3.9
337.10855	100.0
349.23920	9.0
352.13202	23.0
367.15540	45.3
367.25140	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	367.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01264	2.4
59.01373	3.5
62.43947	2.7
72.85448	2.4
72.99320	2.2
79.05554	5.6
83.01395	2.8
95.04992	3.5
99.00877	3.7
99.04531	10.3
107.05075	8.6
109.02983	4.0
109.06587	14.5
111.04524	5.8
119.05025	4.6
121.02912	3.7
121.06587	15.6
122.03750	3.3
123.04526	24.0
125.06080	26.2
135.04515	25.4
137.02469	3.0
137.06090	77.0
138.03226	3.5
139.04028	6.2
139.07649	3.6
147.04503	3.0
149.06119	4.6
151.03941	4.3
153.05576	13.2
153.34116	2.7
161.06067	3.2
163.04016	2.8
165.05530	19.6
171.08167	5.3
173.06024	3.4
173.09702	5.2
175.07758	2.5
183.06589	24.6
197.06189	2.9
198.06824	3.1
199.07693	4.5
201.08919	2.6
209.09773	2.9
211.07703	20.5
211.11269	4.3
212.08496	3.0
213.09216	4.6
215.10704	3.9
217.08720	5.0
225.05746	2.6
227.10754	22.1
227.30231	2.8
229.12370	3.7
237.09167	5.1
240.07890	31.8
243.10181	3.7
245.11787	12.5
255.10252	48.7
258.08875	3.4
261.07846	2.9
273.11398	48.1
276.10025	4.9
291.12418	90.4
349.16330	2.8
367.06384	4.8
367.10529	4.8
367.17609	100.0
367.21487	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	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
56.89451	0.5
59.01386	100.0
60.43656	0.6
65.08519	0.5
69.35378	0.6
70.50223	0.6
71.01390	4.9
73.02956	2.8
83.01410	0.7
84.27029	0.6
85.02951	3.2
86.24522	0.6
89.70856	0.7
92.19391	2.2
93.88635	0.6
101.02457	6.8
113.02468	2.6
161.04568	4.0
167.03496	3.2
307.17670	20.1
329.08887	1.5
367.21597	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	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99332	0.5
53.89154	0.5
57.03440	0.7
59.01378	2.2
60.54199	0.5
71.01376	0.8
72.97198	0.6
97.06568	0.8
113.09729	17.8
139.11269	1.3
141.01935	0.8
166.31512	0.6
167.10733	2.9
177.12845	1.3
179.10764	1.4
187.81929	0.6
195.13919	3.5
204.73889	0.6
249.22307	2.1
293.21246	100.0
331.19177	0.9
367.20865	1.0
367.24802	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39734	1.2
57.03457	1.3
57.98932	1.1
59.01377	7.0
61.05679	1.3
74.75240	1.1
75.03907	1.2
75.70033	1.2
89.02481	2.5
91.04026	12.9
151.79994	1.4
173.64355	1.3
195.13921	11.6
217.56886	1.4
222.08742	1.6
223.13409	7.6
275.20209	8.3
293.21237	100.0
295.62277	1.3
314.38724	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	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08643	1.0
64.37566	1.0
64.93596	1.0
66.73199	0.9
73.47469	0.9
75.63280	1.0
101.06089	2.1
111.79639	1.0
155.10791	2.4
178.09999	7.4
200.41879	1.4
206.16895	1.1
221.19109	1.6
237.18672	1.3
247.17023	6.1
263.16486	23.2
265.18106	100.0
272.62564	1.2
281.17603	9.4
305.51862	1.3
337.10812	21.9
349.23877	87.9
352.13242	5.1
367.15366	10.1
367.24963	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	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93207	0.9
58.48648	1.1
59.01396	4.4
71.01376	8.0
74.03525	0.9
75.70209	0.9
82.11202	1.0
83.05022	2.5
84.02166	4.6
97.02914	1.1
97.06583	11.1
106.62858	1.2
117.00327	1.3
117.99759	1.3
140.50114	1.1
165.12755	1.5
197.11795	9.6
212.45416	1.3
219.13911	6.6
251.16463	11.0
269.17523	2.0
279.16095	1.3
293.21295	1.4
323.25992	5.2
341.18713	1.3
367.16959	5.0
367.24921	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	367.2488
Annotation	15(R)-15-methyl PGF2alpha
Peak:m/z	Relative Intensity
59.01374	3.8
60.58362	0.6
60.99739	0.8
71.01060	0.8
71.01376	7.8
83.05032	4.2
84.02158	4.3
92.20157	1.7
96.96009	1.2
97.06586	11.0
99.04543	1.0
117.89563	0.7
131.63914	0.9
135.08104	0.8
156.41017	0.8
175.14864	0.9
197.11813	8.3
209.42421	0.7
219.13853	7.2
237.14915	1.9
247.13271	0.8
251.16559	11.7
269.17578	3.1
293.21365	3.5
367.24924	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	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65063	0.5
61.98838	100.0
73.61230	0.5
85.93691	0.6
104.95320	0.5
111.15424	0.5
111.64982	0.6
125.02431	2.3
137.02426	0.7
176.03534	0.6
179.03354	0.6
220.02463	2.8
296.47424	0.6
305.06622	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	368.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71946	0.8
52.85757	0.7
54.12702	0.7
55.88119	0.7
56.05393	0.7
61.19908	0.8
61.98835	100.0
88.79937	0.8
125.02412	6.2
137.02440	0.9
141.21167	1.0
155.40999	0.9
165.01917	1.2
206.90926	0.9
219.06712	1.1
305.06625	8.1
307.20352	1.0
380.17416	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	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63455	1.1
58.27546	0.9
59.01389	7.6
68.59525	0.8
69.82595	0.8
71.01380	29.7
73.02935	10.7
77.72406	0.8
82.35538	0.8
83.01395	3.8
85.02943	16.6
89.02442	1.5
90.80247	1.0
92.19370	1.9
95.01383	3.6
99.00859	2.0
101.02448	19.1
106.04247	9.5
107.05026	81.0
113.02429	12.5
135.04497	4.7
149.06152	1.1
159.02924	1.7
160.03951	1.0
161.04535	3.9
167.69170	1.2
174.04823	1.2
179.03510	3.4
197.93109	1.0
204.03058	1.1
223.12558	0.8
234.04085	6.6
341.08789	100.0
351.87756	1.0
368.08948	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	369.0827
Annotation	Fraxin
Peak:m/z	Relative Intensity
51.58923	1.4
57.36472	1.4
59.01373	9.3
64.32273	1.3
71.01359	6.6
85.02887	1.6
87.00924	1.5
89.02423	3.4
96.74136	1.4
101.02428	2.1
103.02967	1.4
112.72573	1.6
113.02420	2.6
117.03463	15.3
119.05005	27.1
127.00397	4.8
129.21132	1.6
134.03734	3.0
141.21477	1.5
145.02963	100.0
160.01678	11.1
161.06122	2.6
163.04022	15.4
166.06326	3.2
175.03966	14.1
177.01955	1.7
181.08713	2.1
189.01952	72.6
193.05054	2.9
207.02998	27.7
281.94632	1.6
369.08157	91.7
369.12045	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	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02150	0.5
58.97149	0.5
59.01376	1.2
63.94735	0.5
66.07610	0.6
66.35697	0.6
71.01366	0.9
73.02940	1.2
81.43081	0.6
83.01395	0.7
83.69590	0.5
85.02931	2.6
87.00863	1.1
89.71183	0.5
96.96943	2.3
97.02929	0.7
99.00873	1.1
100.87962	0.7
101.02433	3.1
113.02438	0.7
125.02420	0.8
128.44568	0.6
132.02174	1.3
133.02956	0.9
134.02725	1.2
134.03743	35.8
141.02028	0.8
146.61613	0.7
149.06084	10.7
160.01656	59.3
161.02469	2.4
161.04523	4.3
162.30377	0.7
175.04001	100.0
193.05063	27.6
193.06831	1.4
193.43977	0.6
198.41499	0.7
262.63577	0.6
293.83389	0.6
369.11926	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1193
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
54.52119	0.9
59.01391	8.6
59.99314	0.8
71.01376	4.4
81.65527	1.1
83.01402	2.1
84.69810	1.0
85.02953	2.5
87.00856	2.0
88.78471	1.2
89.02461	1.8
99.00848	1.1
101.02447	4.8
113.02407	1.7
117.03448	2.0
119.04990	4.8
125.02427	1.4
125.52541	1.3
132.02170	4.1
134.03751	39.1
140.01100	1.1
145.02953	18.5
149.06094	9.7
160.01660	59.3
161.04527	5.3
163.04114	1.6
167.32036	1.0
175.04012	100.0
177.01997	3.9
179.53046	1.1
189.01974	15.5
193.05072	25.5
207.02971	5.1
207.06488	1.2
229.10085	1.2
237.95364	1.0
242.54381	1.2
283.49377	1.2
369.08130	16.0
369.11911	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35867	2.0
54.23684	2.0
59.01101	3.8
59.01387	89.5
63.63027	2.1
71.01376	2.7
86.46903	2.1
89.02464	2.3
93.41343	2.8
109.06770	2.8
109.31476	2.3
122.71409	2.6
141.09203	9.4
147.04530	100.0
207.06602	10.6
292.16052	2.4
369.15576	3.5
369.22766	20.3
387.48926	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	369.1193
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.24685	0.9
53.71229	1.0
63.87679	1.0
73.03451	1.1
82.86089	1.3
93.32880	1.2
101.24648	1.0
104.45230	1.3
165.01990	1.8
177.09109	1.8
207.06642	10.1
221.08241	15.5
249.07692	100.0
261.07675	7.0
279.08762	22.7
318.61591	1.3
369.11911	58.6
369.22617	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	369.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61907	0.4
55.77775	0.6
57.51946	0.5
74.90448	0.5
137.06158	0.7
182.06078	0.6
230.74605	0.6
236.08536	1.0
251.10745	6.3
266.13184	1.3
267.06708	1.0
267.10202	1.1
267.13995	0.6
279.10422	0.6
280.07321	7.0
281.11835	0.5
281.15213	0.6
283.06113	2.2
283.09573	1.1
284.06940	6.7
295.09763	100.0
298.08496	0.8
298.12094	0.7
299.09128	5.0
309.11453	0.9
310.12158	22.9
311.09280	12.2
312.50067	0.6
325.10828	3.9
325.14532	5.8
326.11566	18.0
339.08759	0.7
339.12613	0.6
341.13956	1.2
354.11118	3.3
369.13443	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08234	1.3
59.01360	1.3
76.27888	1.6
83.01391	2.7
86.74207	1.3
92.19439	2.5
94.54216	1.3
97.02958	2.0
109.02947	30.5
109.53313	1.3
122.03716	1.7
123.04536	18.5
129.61571	1.7
139.04016	2.7
149.02457	11.2
151.04022	13.4
161.02457	1.8
161.06038	6.8
161.09705	1.8
163.04008	1.6
163.07619	2.4
175.11327	1.7
187.04106	2.1
188.04848	1.9
203.07162	8.8
205.05109	12.2
205.08710	8.5
207.10281	3.2
217.08675	6.3
219.10268	2.7
231.02916	1.6
244.07263	2.7
246.09000	2.3
247.06190	7.4
247.09755	1.8
253.93150	1.9
259.09726	1.8
301.14584	2.2
308.65646	1.6
325.14542	7.3
369.13467	100.0
369.18130	3.7
369.22940	6.5
369.26819	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09418	0.8
55.19119	0.8
63.22033	0.9
65.07507	0.9
66.83675	0.9
81.61049	1.0
81.75060	0.8
83.01373	2.3
93.03409	0.9
97.02927	4.4
109.02947	26.7
121.02921	2.2
122.03787	1.1
123.04516	16.8
124.01556	1.0
125.02392	1.7
135.04546	1.9
135.59682	1.0
137.09756	1.3
139.04019	1.9
145.02901	1.5
149.02444	11.3
151.04007	11.5
152.45865	1.0
156.52348	1.1
159.04512	1.2
161.02383	1.3
161.06108	4.8
161.09700	1.7
162.03178	1.7
163.04010	1.8
175.04036	1.0
175.11224	1.5
176.01245	1.3
177.05684	1.6
187.03937	2.0
188.04765	1.0
202.06255	1.1
203.07149	9.7
205.05014	15.5
205.08670	9.6
207.10269	5.9
217.08745	6.3
219.10196	3.8
226.41133	1.0
231.02922	1.7
231.06610	1.3
244.07416	1.2
245.07968	2.7
246.08968	4.4
247.06107	5.7
301.14407	3.9
325.14465	5.0
325.23944	1.1
369.13449	100.0
369.22885	2.1
393.30991	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	369.1345
Annotation	beta-Methylcubebin
Peak:m/z	Relative Intensity
57.03318	0.8
96.76653	0.9
202.20129	0.8
251.10782	1.0
295.09753	100.0
310.12070	29.0
311.09384	0.9
325.14548	1.9
354.11124	21.2
369.13425	69.0
369.16940	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	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19701	1.5
51.13605	1.5
55.01874	3.6
59.01387	34.1
62.78490	1.5
71.01381	50.5
73.02948	19.7
83.01407	13.2
85.02956	25.8
89.02453	9.7
93.35140	1.8
95.01382	2.2
99.00888	7.3
101.02439	57.5
113.02441	22.0
132.62274	1.8
138.20937	1.7
142.02945	1.8
159.02954	2.4
161.04561	25.3
207.08742	38.6
254.81819	1.8
311.83466	1.9
369.14059	100.0
376.50760	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	369.2282
Annotation	Platenolide II
Peak:m/z	Relative Intensity
52.28736	0.8
53.91402	0.8
57.03211	0.9
57.03458	22.2
66.37479	0.9
71.01394	1.0
72.11308	0.9
73.02948	15.2
76.26760	1.3
83.05026	2.7
85.84951	1.0
87.04508	46.8
91.18470	1.0
93.03458	1.3
95.05006	4.7
96.02158	1.5
109.02946	1.9
111.04505	7.2
111.08152	7.9
111.20647	1.0
113.06049	10.8
125.09711	1.4
149.09708	5.8
161.09731	1.5
177.12798	4.8
189.12836	1.4
191.10611	1.0
201.12891	2.0
207.13892	4.9
219.13914	22.9
221.77411	1.1
237.14993	9.7
289.68423	1.0
351.21722	4.3
369.22839	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	369.2646
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
51.98895	1.6
52.98926	1.9
55.36271	1.6
59.01373	2.2
59.55596	1.8
65.60831	2.1
71.29202	2.0
74.96216	2.0
80.18639	1.7
83.01358	2.2
119.04996	18.4
122.62806	2.2
124.87271	2.3
136.14798	2.2
137.06023	2.0
151.00354	23.4
158.25565	1.9
200.26353	2.0
205.05048	20.6
271.06161	14.6
289.25452	8.1
293.21133	3.0
307.26483	9.7
315.19226	2.4
325.10721	4.0
325.27539	28.0
333.24396	7.9
351.25381	14.4
368.45297	2.0
369.13669	21.3
369.17950	4.2
369.26508	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	369.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68827	0.7
58.63582	0.7
59.01384	1.7
69.50851	0.8
71.01387	8.7
71.07735	0.7
83.05026	1.9
85.10924	0.9
92.20190	1.4
97.06576	1.2
99.08161	9.6
118.93088	0.8
121.10222	1.7
145.30951	0.9
153.12885	1.7
156.71074	1.1
166.54616	0.8
175.14824	1.0
197.11824	11.7
216.53183	0.9
219.13841	7.6
237.14969	1.7
249.25623	0.9
251.16507	10.9
269.17606	4.5
289.12552	0.8
314.07690	0.8
319.22870	1.7
369.26483	100.0
383.05249	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	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
60.36005	1.3
91.04003	6.3
97.01575	1.4
109.61133	1.3
113.09698	2.9
120.59138	1.4
134.32158	1.8
134.99995	1.4
140.12424	1.7
161.54192	1.4
166.13063	1.4
179.14436	1.5
195.13928	20.8
228.76723	1.4
277.21716	23.0
295.22772	100.0
387.34482	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	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.07681	1.0
55.82054	0.8
58.23435	1.1
75.36101	0.8
82.84924	0.9
83.03062	0.9
85.42191	0.9
92.47665	1.0
112.01026	1.0
123.93208	0.9
138.84309	0.9
155.21051	1.2
204.36797	1.0
206.88968	0.9
243.70862	0.9
307.30093	100.0
325.31100	1.0
351.29059	20.4
354.13318	1.1
369.30115	83.9
384.78867	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	370.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01668	1.0
56.89620	1.1
59.01107	1.4
59.01387	32.7
61.98814	1.2
67.57040	1.2
71.01379	9.7
84.39363	1.3
85.02959	2.4
89.02460	8.9
101.02446	6.9
113.02464	3.0
118.06636	13.5
119.05019	33.7
144.04527	6.3
146.06090	9.1
156.26221	1.3
162.05605	34.6
190.05128	19.6
208.06108	2.0
208.93852	1.3
278.36804	1.3
370.11478	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
68.99284	0.9
81.03467	4.9
86.67932	1.0
95.05020	1.6
99.04522	5.0
108.54518	0.9
123.04507	5.2
125.02441	28.7
137.02458	4.5
139.03995	1.1
149.06064	6.2
167.03494	100.0
179.03558	1.6
191.03471	1.2
197.04568	24.4
198.47217	1.0
208.10527	0.9
209.04575	4.8
209.08202	4.2
251.05624	17.8
255.82129	1.0
281.06729	6.3
287.07883	4.6
371.09769	21.6
371.13632	2.2
393.30792	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	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.18839	1.3
71.01372	1.5
73.02924	1.6
73.59639	1.5
85.02948	1.7
87.00889	20.4
100.95917	1.6
113.77483	1.4
118.88541	1.5
123.04528	1.5
127.02734	1.4
136.01677	1.8
146.03757	3.3
148.05327	18.0
149.06058	17.1
151.04022	7.5
161.02420	1.8
161.06070	7.9
163.04042	2.0
163.07674	2.9
164.04756	3.0
165.01935	2.5
175.03970	5.4
176.04814	10.9
178.06374	1.9
179.07123	7.3
188.04790	5.6
191.07161	10.2
204.04257	3.1
207.06743	5.4
209.04681	2.0
217.05035	3.3
219.06639	5.7
221.08295	1.4
231.06648	2.0
232.03740	9.3
235.06126	35.2
247.06125	23.8
265.07205	20.5
285.68561	1.7
302.48822	1.4
325.09332	13.4
353.08844	8.2
371.09872	100.0
373.95004	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	371.1136
Annotation	3,5,6,7,8-Pentamethoxyflavone
Peak:m/z	Relative Intensity
53.88842	0.9
55.01886	1.7
59.01382	2.1
66.16860	0.9
71.01376	4.3
78.58170	0.9
89.38314	0.9
92.20046	1.4
93.03442	1.6
99.00877	91.1
104.77399	0.9
105.32402	1.1
121.02948	2.3
122.03722	7.7
131.05006	3.6
135.04463	1.3
137.02470	1.2
137.06105	1.3
147.04460	1.0
159.04550	1.7
174.03204	1.2
175.04044	9.0
176.04762	6.6
177.05569	26.3
178.14513	1.1
189.05540	2.4
190.06354	2.3
220.03760	4.4
280.07227	1.1
309.24359	7.1
327.12433	4.6
327.25369	4.1
342.19266	1.0
356.09113	1.2
371.11356	100.0
371.24277	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	371.1137
Annotation	Auranetin
Peak:m/z	Relative Intensity
56.60113	0.8
59.01385	7.1
71.01385	1.6
87.04454	0.8
107.49342	0.8
137.02454	1.0
147.04518	2.2
152.01089	2.2
152.84637	1.0
153.01929	6.9
159.04475	1.8
161.06068	6.7
164.01163	1.1
164.49213	0.8
165.01866	1.4
167.03456	7.4
174.03223	1.1
175.02766	0.9
175.03990	41.1
176.04785	63.0
182.61714	1.0
189.05597	12.7
190.06363	54.9
191.07190	1.8
196.00531	1.0
220.03798	10.3
234.05345	4.7
235.06093	1.6
278.83841	0.9
319.99234	1.1
371.11377	100.0
371.24338	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	371.1138
Annotation	7,8,3',4',5'-Pentamethoxyisoflavone
Peak:m/z	Relative Intensity
50.78759	1.0
52.17406	1.1
63.61546	1.2
86.67976	1.0
91.81178	1.1
98.00112	1.6
101.71579	1.1
108.02149	7.8
111.00831	1.4
123.00862	9.7
124.01656	5.4
127.34024	1.2
136.01649	9.8
151.04028	1.8
151.44159	1.3
161.02464	14.2
163.04002	2.8
175.03999	12.0
176.04778	6.7
189.01959	2.7
190.02711	21.6
191.07114	2.7
204.04385	8.1
205.05095	21.6
254.67107	1.4
257.54037	1.2
327.08636	5.8
341.06610	6.4
355.08194	5.2
356.08997	11.2
371.11349	100.0
389.61896	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	371.114
Annotation	2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01352	1.0
75.39680	0.9
101.64573	0.9
136.01662	99.5
137.02434	1.0
146.03748	1.2
151.04012	100.0
159.04529	1.8
160.05255	10.2
169.32281	0.9
174.06885	2.3
175.03957	1.3
188.52800	0.9
204.04192	1.2
226.20749	1.0
297.07956	1.0
356.12598	1.1
371.11301	21.9
371.15140	2.1
371.19003	1.3
371.34277	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	371.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66561	0.5
80.92553	0.6
85.02935	3.0
87.00863	2.1
92.20107	0.9
93.03437	1.1
101.10651	0.5
127.03977	0.7
139.16948	0.6
173.04512	0.6
191.05618	100.0
217.65092	0.6
371.11975	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	371.1198
Annotation	D-alpha-D-Hep-(1->6)-beta-D-Glc
Peak:m/z	Relative Intensity
59.01381	5.6
61.16863	2.1
71.01392	4.8
75.37334	2.0
85.02969	9.5
87.00859	5.0
89.02428	2.9
101.02436	3.8
106.47243	2.4
113.02480	5.2
139.49562	2.3
150.97295	2.4
159.14310	2.6
159.15613	2.4
173.90837	2.3
191.05646	100.0
234.16356	3.0
336.52676	2.8
339.81512	2.4
371.11832	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	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.93061	0.9
54.22625	0.8
55.59271	0.8
55.70306	0.9
59.01385	71.4
59.17513	0.8
69.69169	1.0
71.01382	31.5
85.02943	4.7
89.02442	37.0
91.05554	1.2
95.01399	1.9
96.29433	1.1
101.02443	21.6
113.02443	14.5
119.03474	8.1
147.08125	1.0
150.03227	6.3
165.05655	1.3
194.02211	7.0
209.04581	10.6
237.48254	1.1
332.50348	1.2
371.13495	100.0
378.67966	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61611	0.8
55.25782	0.8
55.91044	0.9
57.03447	1.0
57.63591	0.9
59.01384	48.1
61.49803	0.9
71.01389	1.5
77.32721	1.0
81.03454	1.7
92.84310	1.1
93.63570	1.0
99.04524	2.2
113.02456	1.0
121.06618	1.2
123.04505	2.2
125.02439	19.8
137.02486	1.4
139.04008	2.2
147.08189	2.1
149.02480	13.5
149.06076	100.0
150.03212	2.1
162.03319	0.9
165.05554	2.0
167.03493	62.3
191.03572	1.4
194.02251	1.3
197.04555	15.6
208.00342	1.3
209.04665	5.5
209.08194	75.7
219.03200	1.2
251.05614	11.5
281.06812	4.7
287.07730	4.7
371.09671	12.6
371.13620	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
50.69210	3.3
50.93287	2.8
55.93629	3.1
57.03462	3.9
59.01384	97.3
69.13113	3.1
71.01389	38.1
76.87133	3.9
83.83709	3.7
85.02951	16.4
89.02448	48.2
95.01385	4.2
96.85857	4.2
101.02452	37.4
101.61149	3.7
113.02428	15.1
119.03516	5.8
119.05029	17.1
126.10920	3.4
134.23621	4.1
137.02397	6.5
137.59845	3.7
165.01895	3.8
191.07169	79.1
209.00902	25.4
256.06430	3.9
288.41330	3.7
340.69110	3.7
371.03937	18.7
371.13513	100.0
382.93384	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	371.135
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.49260	0.9
81.03455	4.4
83.01385	1.1
95.05018	5.6
97.02928	2.0
97.35129	1.0
100.63548	1.1
123.04484	1.8
125.02448	22.7
125.06080	2.2
135.23889	1.1
137.02408	1.2
155.03481	2.3
165.09221	9.5
167.03494	19.5
167.07158	1.6
179.10767	13.0
183.10236	2.1
197.04515	1.4
207.10274	6.4
209.08197	35.6
221.08124	10.3
223.09766	3.9
235.09766	2.6
244.67151	1.0
248.06793	1.2
251.09254	100.0
263.09262	1.4
281.10321	24.3
353.12573	1.4
371.13379	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72255	0.8
51.84845	0.8
52.79150	0.8
59.01385	59.6
70.99180	1.0
71.01363	1.2
81.03454	6.1
81.05669	1.1
85.20661	1.0
87.53141	1.1
89.02435	1.1
92.20110	1.4
95.05024	1.9
97.02955	1.6
98.33371	1.0
99.04525	5.5
123.04521	5.1
125.02439	35.8
130.04243	2.0
131.05020	27.5
132.82672	1.1
137.02440	4.2
139.03964	1.1
149.02444	4.9
149.06076	74.1
150.03168	1.4
165.05475	1.8
167.03496	100.0
175.42030	1.0
177.01906	2.5
179.03473	1.3
191.03499	2.3
194.02135	1.5
196.25127	1.1
197.04561	23.6
209.04579	8.0
209.08138	4.3
251.05606	20.2
263.05508	1.0
281.06641	2.2
287.07562	4.0
371.09860	32.8
371.13626	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	371.1502
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
53.59145	0.7
56.53873	0.7
58.19865	0.9
71.15430	0.8
102.80618	0.8
144.58154	0.9
176.90010	0.9
243.46727	0.8
297.11566	0.9
302.15625	1.0
302.20517	1.0
313.10876	1.2
323.09286	1.3
323.61014	0.9
324.61102	0.9
327.12375	38.3
328.13165	24.0
338.11633	6.4
355.11652	6.0
356.12662	59.2
371.15024	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	371.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92742	0.5
54.49799	0.4
58.27032	0.6
75.36535	0.5
83.09579	0.5
90.78825	0.6
229.01335	1.2
231.03036	1.2
242.09564	0.8
243.02962	1.5
259.47421	0.7
297.11221	1.0
299.16443	0.7
313.07169	12.7
327.12393	8.0
327.16049	3.3
328.09546	100.0
329.10330	9.6
356.12753	0.6
371.15021	84.0
371.18665	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	371.15
Annotation	Armenin B
Peak:m/z	Relative Intensity
51.56093	1.8
64.93702	2.1
86.22183	1.8
92.19388	2.2
131.14209	2.1
137.06042	2.5
155.07616	2.0
163.11118	2.1
170.70782	2.0
178.38901	2.1
198.19119	2.0
234.09599	2.0
253.08720	3.4
267.06750	3.1
268.10980	9.5
282.09015	7.5
283.13474	4.1
296.73969	1.9
297.14923	2.6
326.11682	13.3
327.12357	16.2
327.15732	2.8
341.13928	27.9
371.11264	9.8
371.15042	100.0
371.19519	3.8
371.24579	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	371.2076
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.27085	1.1
55.01861	1.8
56.43219	1.2
57.03453	3.6
59.01107	2.5
59.01382	50.8
65.15341	1.4
71.01379	59.7
73.02937	20.7
83.01397	11.1
85.02949	39.7
89.02445	17.0
91.12877	1.6
95.01383	3.6
99.00866	8.6
101.02437	54.0
113.02441	30.6
119.03508	2.5
159.02954	3.1
161.04535	33.8
209.15477	9.0
212.55310	1.6
371.20764	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	371.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32782	1.0
59.01387	10.7
75.00873	100.0
133.78720	1.1
140.12112	1.0
170.97560	1.2
191.34691	1.1
251.23811	47.2
269.24817	1.1
270.79224	1.1
271.22702	2.4
291.26785	1.7
295.22797	34.0
309.28040	12.0
311.25949	30.0
313.23874	62.0
353.30664	4.0
371.15036	2.4
371.24280	55.6
371.27991	21.2
371.31744	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3168
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
51.01297	0.4
58.00561	0.4
59.83169	0.4
62.29646	0.5
173.04175	0.5
178.98637	0.5
210.56989	0.5
281.28537	3.2
295.29926	0.7
323.29559	2.6
325.27487	8.2
339.29114	0.8
349.19464	0.4
351.29156	3.6
353.30670	3.8
371.31686	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	371.3168
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
51.15586	1.1
54.63364	1.2
54.75513	1.3
56.60565	1.3
65.74106	1.7
72.99306	22.0
75.00507	1.6
75.00872	15.3
79.73036	1.5
107.43517	1.5
225.48352	1.5
246.21758	1.5
249.18671	1.6
292.52469	1.6
295.30069	2.2
371.31668	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	373.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61842	0.4
59.01357	0.5
60.00008	0.5
60.28815	0.4
68.99821	1.1
71.17294	0.4
72.37112	0.4
81.39269	0.5
88.80830	0.6
93.36491	0.7
124.01635	10.6
139.04012	38.6
146.03665	0.5
151.04010	0.7
152.01154	7.7
161.04564	0.8
165.01920	9.1
167.03493	100.0
168.57133	0.5
172.04272	0.5
187.59872	0.6
191.03372	2.3
193.01396	0.9
279.05005	0.6
286.12628	0.6
329.08795	5.3
373.07739	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85842	0.8
59.01101	1.3
59.01381	23.1
71.01382	12.2
85.02963	1.6
89.02427	13.2
101.02445	10.8
108.02174	5.7
111.00880	1.2
113.02440	4.3
123.04507	13.9
137.02463	1.5
151.00426	1.3
152.01123	13.3
166.02719	5.1
167.03488	38.8
181.05096	4.7
196.00182	1.5
207.19072	1.2
209.04533	9.5
211.02492	16.0
211.06096	1.9
253.03630	2.3
255.89052	1.1
313.05646	1.2
358.05606	1.4
373.07773	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79499	1.1
54.44792	1.2
57.94317	1.3
59.01374	1.7
75.00867	1.3
83.01414	1.7
93.89257	1.3
99.02864	1.4
107.01414	2.5
124.01690	2.6
125.02459	5.9
139.04005	11.1
149.02565	2.4
151.00432	1.9
165.02058	2.1
167.03476	24.3
178.99840	2.3
192.99918	1.2
193.01404	10.5
205.01459	2.8
231.03110	5.5
235.02475	100.0
241.04953	1.5
246.97208	1.6
253.03563	14.4
265.03491	41.0
267.89890	1.5
273.07803	5.8
287.15201	1.6
295.04807	1.7
301.07156	9.6
329.06754	2.2
337.05499	2.0
355.06808	21.0
373.07925	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0931
Annotation	5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.58091	1.9
58.22075	2.3
58.22382	2.0
59.01376	3.3
73.02944	2.8
76.40334	2.2
77.16199	2.3
80.72791	2.0
82.68302	2.5
97.02966	2.9
107.83353	2.1
109.02937	2.7
121.02948	2.5
121.42265	2.7
123.04491	2.7
125.02394	9.2
125.37485	2.4
138.55553	2.9
139.04013	3.0
145.02959	18.8
149.02437	3.0
151.00356	12.8
161.06088	3.9
163.00346	2.8
167.03468	10.3
183.45506	2.3
185.06111	19.2
199.07713	2.8
213.74968	2.3
229.05045	100.0
241.05063	19.2
255.06610	11.0
268.03839	16.6
269.04459	13.5
269.08142	5.3
271.06091	4.8
283.06104	11.7
313.07336	18.0
325.07068	3.4
329.10239	5.1
337.07092	3.0
343.08194	11.6
355.08191	8.9
373.04880	5.1
373.09268	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Dercitamide
Peak:m/z	Relative Intensity
57.24202	0.5
59.01382	1.5
62.72002	0.6
71.01372	0.7
85.02983	0.7
101.02449	0.8
105.01970	0.8
109.02913	1.1
124.01640	0.8
125.09712	0.9
151.04030	1.1
165.05582	1.1
166.06326	9.9
166.82709	0.6
167.07129	23.7
192.04265	25.7
209.11838	1.0
210.05336	100.0
211.06078	4.3
242.73010	0.7
355.10349	3.5
373.11401	83.4
382.74237	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	373.114
Annotation	Citrifoside
Peak:m/z	Relative Intensity
59.01384	24.0
69.02023	1.4
71.01367	11.7
83.97408	1.4
89.02435	10.9
93.02536	1.6
95.01369	1.6
101.02423	8.9
108.02156	10.2
108.10592	1.4
112.93580	1.5
113.02406	2.7
115.36762	1.5
119.03477	3.2
123.04483	6.5
134.03763	3.8
134.79036	1.6
136.01636	2.2
149.06087	1.8
149.39511	1.4
150.03198	15.6
165.05582	6.0
178.02721	58.6
193.05070	100.0
250.25516	1.5
373.08548	3.5
373.11584	25.7
391.62274	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	373.1141
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
51.95432	0.9
55.79565	0.8
59.01392	1.0
73.37601	1.0
78.08123	0.9
121.02940	2.2
122.03725	1.4
123.04527	4.1
166.06375	9.2
166.83467	1.2
167.03456	4.4
167.07132	100.0
210.05325	26.9
211.06133	84.0
226.60403	1.3
268.23422	1.2
373.11432	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
53.82962	2.2
58.18483	2.8
59.01100	4.8
59.01386	92.0
71.01378	53.9
72.20115	3.0
85.02953	12.2
89.02445	58.5
95.01346	3.7
101.02444	30.5
105.45339	2.5
113.02446	25.8
119.03490	19.9
119.05006	12.9
123.04488	5.9
134.03717	19.0
149.06096	26.6
161.04543	3.5
163.04034	35.3
165.05583	3.0
167.03455	6.8
167.07144	67.8
179.05553	4.0
193.05099	23.2
203.15588	2.8
205.63629	2.7
210.05302	14.5
211.06107	71.4
256.83670	2.6
373.07336	12.7
373.11496	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	373.1143
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
57.83174	1.3
59.01376	8.5
61.98843	13.9
71.01357	2.9
81.03451	6.9
83.01379	1.9
85.02954	2.8
92.19448	1.6
93.03483	1.4
95.05011	7.5
97.02943	2.2
101.02436	2.3
104.16826	1.6
113.41054	1.4
123.04533	12.4
125.02453	27.9
137.02457	3.7
137.06096	2.2
139.04012	2.3
142.18069	1.5
149.06053	3.2
151.03944	3.0
153.05522	1.8
155.03497	2.0
165.02013	2.0
165.05612	2.0
167.03499	75.4
167.07126	14.6
169.05066	2.3
179.03534	3.6
193.05035	2.9
197.04622	10.6
209.04581	20.8
209.08057	2.0
211.06140	31.4
218.67696	1.5
223.06111	7.5
235.05957	2.4
239.05544	6.2
243.73363	1.4
253.07175	100.0
253.09856	3.2
265.07123	2.1
283.08224	25.4
355.10153	2.2
373.06998	3.6
373.11441	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1293
Annotation	6-C-(3-Hydroxyisopentyl)eriodictyol
Peak:m/z	Relative Intensity
53.49121	3.2
69.53436	3.9
76.89455	3.3
85.83069	3.6
92.20003	8.5
108.02174	9.1
109.02946	21.2
120.88607	4.9
123.04555	15.7
129.07112	5.5
147.04457	4.1
148.05280	16.2
151.00374	8.5
151.03989	8.9
159.04544	4.4
160.05264	32.2
172.05324	19.5
173.06088	79.7
176.67145	4.6
204.04231	8.3
217.05038	56.8
219.06630	9.3
231.06555	17.1
281.08197	7.1
296.10654	9.5
329.10205	14.1
340.09503	7.5
355.11908	100.0
373.12970	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
52.22110	1.8
52.80352	1.7
59.01380	2.2
63.00291	2.0
77.80585	2.0
77.87177	2.0
108.02176	10.9
109.02959	24.2
123.04521	16.9
129.07048	3.9
136.01637	3.4
137.02463	2.6
145.06639	2.8
148.05321	9.9
151.04012	5.1
155.04979	2.6
156.45662	2.3
159.04530	5.4
160.05286	33.6
160.93616	2.3
163.07614	9.8
171.04544	3.0
172.05345	25.5
173.04636	4.0
173.06071	80.4
175.02484	3.0
175.07593	2.8
194.24591	2.1
204.04195	9.2
217.05066	56.6
219.06569	9.9
231.06612	27.4
237.07445	3.0
281.08145	9.0
295.09683	3.2
296.10507	12.1
311.12866	5.4
340.09427	4.7
355.11877	85.4
373.08368	4.1
373.12939	100.0
373.17661	4.3
398.55557	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	373.1292
Annotation	6-C-(3-Hydroxyisopentyl)eriodictyol
Peak:m/z	Relative Intensity
51.74517	0.8
53.25488	0.8
59.01385	6.4
60.77525	1.0
70.34220	0.9
71.01395	2.2
92.19980	1.5
99.00877	54.0
109.02930	8.8
116.25382	1.0
121.02946	1.9
122.03737	14.4
123.04540	10.1
129.05539	1.1
136.05305	7.7
137.06071	3.8
147.04497	7.3
148.05322	2.3
161.89642	1.1
163.03973	6.7
164.04778	20.3
178.33926	1.0
179.07137	45.7
189.07614	1.1
191.07170	1.3
201.11378	1.6
207.06644	1.7
211.13385	5.8
223.06148	2.0
235.06137	1.2
293.78589	1.1
312.09897	1.9
327.12363	2.0
343.24805	2.0
355.11826	2.0
355.24915	1.5
373.12970	100.0
373.18439	8.7
373.25891	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	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82282	1.1
67.42704	1.1
67.52475	1.1
71.17254	1.2
83.74031	1.2
109.02948	2.8
123.04477	2.5
128.62564	1.4
159.04483	2.3
177.05508	2.4
190.06378	2.0
232.72919	1.3
241.05093	1.5
257.04694	1.3
268.07449	7.9
269.08154	4.7
281.08203	4.8
282.09210	1.5
283.09781	100.0
284.10287	1.5
295.09732	6.2
296.10492	6.7
297.11182	2.1
299.09274	14.6
301.03586	2.2
311.05591	1.8
311.09021	1.7
312.10107	5.6
314.11655	5.9
365.95551	1.6
373.05386	7.0
373.12958	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62401	0.8
56.67777	0.7
59.01376	0.9
60.09289	0.7
61.35487	0.7
65.54018	0.7
72.34169	0.9
72.57626	0.8
74.61286	0.7
87.81967	0.8
88.73612	0.8
97.19129	0.8
106.49725	0.9
123.34979	0.8
133.68585	0.7
137.21799	0.8
137.41663	0.8
138.28192	0.8
157.61392	0.8
213.05363	0.9
214.02719	20.2
215.03499	4.3
229.05063	100.0
230.05815	6.6
244.07413	52.1
244.09738	1.1
245.08223	13.3
283.09744	1.6
335.91122	0.9
341.10168	1.5
373.12909	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	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88328	0.7
59.01387	100.0
71.01374	7.7
73.02952	4.9
75.75198	0.8
83.01378	0.9
85.02956	8.8
86.91212	0.8
92.55918	0.8
101.02436	4.6
105.73169	0.9
110.69456	0.8
111.90355	0.9
113.02429	4.2
128.03510	1.0
129.53860	0.8
132.04576	1.3
151.07639	37.8
159.02986	0.9
161.04556	12.4
184.25258	0.9
191.05676	1.4
201.95901	0.9
209.08252	1.8
221.08267	1.8
261.08762	1.3
311.11615	0.9
313.12958	4.9
373.07373	1.1
373.20486	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	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32143	1.2
51.88887	1.3
57.03453	1.3
59.01381	26.8
60.42894	1.3
62.43605	1.1
71.01377	68.5
73.02943	15.4
79.63248	1.1
79.63769	1.4
83.01389	5.2
85.02945	21.2
87.00894	2.7
87.60348	1.3
89.02444	15.8
95.01381	5.5
96.35561	1.2
99.00863	8.5
101.02445	39.8
104.72233	1.3
111.08145	15.3
113.02439	34.9
119.03529	4.4
138.45760	1.5
139.07648	69.0
143.03468	2.8
149.09676	5.8
159.03006	2.6
161.04553	100.0
167.03522	1.9
167.10774	7.7
193.08737	2.0
211.09628	1.8
233.06688	15.6
240.18420	1.4
241.47694	1.2
373.15063	50.6
373.19568	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	373.1658
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
50.09940	1.0
53.43705	1.1
59.01376	6.9
59.29135	1.1
79.87167	1.4
81.03432	1.6
83.04990	1.7
85.02964	15.5
93.03432	5.3
95.01382	2.4
96.02180	3.0
97.02964	15.5
97.06567	1.8
99.00857	2.2
99.04518	2.5
109.02911	2.3
111.04532	17.4
121.02918	1.6
123.04484	2.5
123.08107	1.8
124.01628	9.2
137.06064	3.1
139.04027	13.1
151.03967	1.4
151.07643	3.0
163.07690	2.4
163.11275	1.8
165.05582	2.0
165.09215	14.3
165.12886	17.2
179.07101	8.8
181.08629	2.3
191.07079	6.5
191.10750	2.4
207.06532	1.8
215.10641	2.5
216.13728	1.4
229.12326	2.3
231.10272	2.0
233.11789	9.1
243.13799	1.6
244.10928	1.4
247.13229	2.7
247.20631	11.0
247.91405	1.5
269.11917	1.5
273.18613	5.6
291.19684	34.4
313.14551	5.8
313.17984	5.8
327.15985	7.7
331.15625	4.1
345.16989	6.1
355.15567	8.3
373.16519	100.0
373.20200	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	373.1657
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
50.53017	0.9
53.75884	1.1
57.03438	1.1
57.43731	1.0
59.01377	4.8
69.03456	5.3
71.05034	1.3
81.03455	1.5
83.01400	1.8
85.02945	14.2
87.90415	1.1
87.95506	1.1
92.20093	2.0
93.03456	4.8
95.01398	2.6
95.05014	1.8
95.73876	1.1
96.02139	2.7
97.02950	19.6
97.06600	1.7
99.04547	2.4
99.21509	1.1
109.02951	1.5
111.04507	15.6
113.27924	1.4
118.81921	1.5
121.02905	2.1
121.06591	1.2
123.04504	4.8
123.08160	2.6
124.01643	6.1
137.06059	5.5
139.04022	11.2
147.04485	2.6
149.09642	1.2
151.07648	2.3
161.06090	1.6
163.03905	1.4
163.07619	2.9
163.09694	1.5
163.11211	1.9
165.05551	9.9
165.09196	12.8
167.74837	1.2
179.07117	5.2
179.10791	1.7
181.08698	1.8
189.05580	2.2
189.12810	2.1
191.07150	6.7
191.10802	2.8
202.00307	1.2
215.10802	2.0
219.10191	1.7
221.08192	1.8
229.12373	5.3
231.10081	1.8
233.11819	8.3
260.21967	1.3
269.11844	1.3
303.15881	1.8
313.14487	5.3
327.16000	7.6
331.15491	2.5
345.17108	2.9
355.15625	6.5
373.16592	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	373.1658
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
56.93602	1.1
58.42495	1.8
59.01379	2.1
64.28541	1.4
81.03464	1.9
85.02934	12.4
92.20068	4.4
93.03451	3.3
95.29440	1.4
97.02954	15.8
97.77104	1.4
99.04532	1.7
102.98031	1.5
109.02961	2.4
111.04517	15.7
121.06609	2.3
122.03754	1.9
123.04478	1.7
123.08167	1.9
124.01677	6.0
124.08057	1.4
124.81675	1.5
135.08224	1.4
137.06119	7.1
139.04048	11.3
147.04520	2.4
163.07719	1.8
164.08519	1.6
165.05545	7.1
165.09244	14.4
176.04768	1.6
179.07187	6.1
181.08801	2.1
191.07182	5.6
191.10730	2.1
207.06650	2.4
215.10773	2.0
221.08070	1.6
233.11839	9.3
247.13632	1.5
259.09949	1.5
284.79160	1.7
309.15231	1.6
313.14450	2.8
327.16214	3.6
345.17148	2.7
355.15768	7.8
373.16666	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	373.1659
Annotation	CHEBI:65836
Peak:m/z	Relative Intensity
58.46251	0.5
68.88782	0.5
84.79279	0.4
99.00807	2.2
115.03667	0.6
146.78877	0.5
164.04752	0.8
212.28011	0.5
217.08691	1.2
230.09489	0.9
243.10229	3.3
297.14978	0.8
299.12878	2.0
313.14221	0.6
314.15341	3.4
329.17603	100.0
373.13037	3.4
373.16641	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01875	0.8
59.01385	32.5
62.54972	0.7
71.01382	15.2
72.99278	1.2
73.02930	5.4
83.01385	5.3
85.02959	8.9
85.25224	0.8
87.00872	1.2
89.02445	12.5
95.01353	1.8
101.02441	17.5
112.83342	0.9
113.02421	6.9
119.03528	1.3
136.01651	1.9
148.38406	0.9
151.04002	4.6
170.22574	0.9
193.12294	1.2
211.13420	1.3
227.46454	0.8
244.80226	0.8
299.18759	0.8
301.71616	0.9
373.13242	7.7
373.18680	100.0
373.26102	4.9
389.12720	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.44962	1.2
59.01110	1.4
59.01388	37.6
71.01389	15.9
73.02940	2.4
75.65385	1.1
83.01388	1.7
85.02934	6.4
89.02442	13.8
89.20174	1.1
95.01366	1.5
101.02460	15.3
113.02440	5.8
119.03501	2.4
167.14378	1.3
193.12421	1.5
211.13472	1.4
214.52190	1.3
373.18713	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	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67108	1.3
59.01384	14.2
59.08658	1.4
59.17658	1.4
59.33858	1.3
69.03467	1.9
85.02983	5.4
88.93883	1.4
93.03458	2.6
97.02946	10.3
109.03004	1.5
111.04531	11.4
124.01669	3.3
137.06047	1.5
139.04057	5.1
148.08943	1.6
151.11302	1.8
152.30403	1.8
163.11398	1.6
165.09265	5.5
165.12851	42.9
168.69157	1.4
176.12076	1.7
221.08302	1.5
233.11769	2.1
244.10851	6.2
247.20639	29.7
273.18613	13.1
291.19705	100.0
313.17868	20.6
327.15976	2.0
355.15579	3.5
373.16519	42.2
373.20245	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70892	1.6
57.03428	2.3
59.01387	100.0
60.21539	1.7
65.65690	1.7
71.01380	58.5
73.02946	10.9
83.01375	3.0
85.02953	13.0
89.02436	42.8
95.01373	4.2
98.06786	1.8
101.02449	43.7
105.21294	2.0
109.56228	1.7
113.02426	27.4
119.03501	13.6
159.02994	1.9
161.04559	23.7
179.05688	2.6
218.07750	2.0
257.17596	10.7
343.24921	2.7
373.12784	11.7
373.22159	80.6
373.26041	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15126	2.0
55.01875	9.8
56.06188	2.1
57.03445	10.1
59.01105	4.1
59.01387	81.4
62.41963	2.1
66.56687	2.1
67.33730	1.8
71.01382	84.8
73.02948	38.5
83.01377	17.9
85.02947	62.3
86.00085	2.0
87.00871	5.2
89.02472	18.7
89.78604	1.9
93.03445	3.9
95.01371	11.2
99.00890	12.7
101.02446	100.0
101.08546	2.0
111.00848	2.6
113.02447	45.3
119.03532	3.3
122.03786	2.4
123.04497	3.3
125.02440	3.3
125.09715	2.6
137.02365	3.7
141.97108	2.3
143.03433	3.7
155.10759	4.5
159.02969	2.9
161.04555	43.8
173.04558	8.3
191.05722	2.5
197.09712	2.6
209.11742	3.6
283.09650	20.8
299.09229	3.3
329.10498	16.8
336.47910	2.1
355.12091	2.6
355.21426	3.3
373.09003	6.6
373.13123	27.8
373.18637	4.9
373.22357	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03437	0.6
59.01369	1.6
66.34962	0.4
70.45363	0.4
73.02940	0.8
81.11777	0.4
95.14476	0.4
104.03782	0.5
125.09703	4.4
127.11259	2.2
137.09734	0.7
141.09161	0.7
153.12813	0.6
155.10762	2.9
162.66666	0.4
167.21170	0.4
171.10275	12.1
179.07137	0.6
201.15073	0.7
217.14490	0.7
221.18872	0.5
229.14343	0.5
230.15173	2.1
285.15051	1.8
301.20190	1.0
327.21722	0.8
329.13947	3.7
343.24844	0.6
355.24869	2.7
371.24426	2.2
373.13214	4.1
373.25952	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	374.1904
Annotation	N1,N1-dimethyl-4-[[4-(dimethylamino)phenyl](4-nitrophenyl)methyl]aniline
Peak:m/z	Relative Intensity
51.23866	0.8
54.86797	0.7
59.01386	37.6
59.01685	1.7
60.01710	3.5
70.11108	0.8
71.01386	17.4
72.01698	1.6
73.02955	1.2
78.95879	0.9
82.56540	0.8
83.01375	1.2
85.02927	4.1
86.03300	1.4
89.02444	14.9
90.02749	2.0
101.02435	12.9
102.02776	3.7
113.02472	8.2
114.02761	1.2
119.03501	3.5
152.04343	1.0
174.06339	1.0
374.19043	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25063	0.2
59.08370	0.3
72.85582	0.3
83.71552	0.3
85.60504	0.3
99.31838	0.3
174.39667	0.3
232.10936	0.8
290.18631	1.1
371.87540	0.4
374.24509	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	374.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09601	0.8
56.61579	0.8
57.71849	0.7
68.91357	1.0
72.76492	0.8
72.99332	0.8
74.02464	18.1
95.70306	1.0
98.02444	1.1
100.04060	3.6
105.10843	0.8
116.03522	1.6
116.12424	1.0
118.05111	11.5
124.61993	1.1
155.14452	1.0
214.58138	0.9
225.22269	11.5
253.21742	5.6
255.23312	17.9
260.49353	0.9
267.23306	1.2
272.66891	0.9
356.28091	4.7
374.29132	100.0
394.95084	0.9
399.43799	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	374.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23336	0.5
59.01384	69.8
60.84966	0.6
70.05260	0.7
90.97150	0.6
91.07059	0.7
132.98241	2.2
132.99216	0.8
149.40579	0.6
156.99979	2.1
174.99240	50.2
180.51729	0.7
201.02496	2.5
217.00299	100.0
314.99020	0.8
374.99210	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40124	1.1
56.86966	1.1
59.01386	100.0
71.01394	10.5
73.02946	2.0
84.80902	1.2
85.02931	2.1
88.80116	1.3
101.02438	6.4
108.92783	1.2
113.02460	5.5
138.03221	18.8
153.05574	11.3
161.04607	14.8
315.10907	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	375.1299
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
51.09368	2.5
58.12439	2.4
58.61628	2.7
59.01387	100.0
66.42226	2.6
71.01382	55.3
73.02985	2.5
78.95914	4.7
82.46257	3.1
85.02953	6.3
87.00868	4.4
89.02441	69.2
95.01387	3.9
96.96975	15.3
101.02424	28.1
113.02481	21.5
117.03459	5.3
119.03463	21.0
125.13027	2.9
129.33110	3.0
143.03481	4.8
145.02953	53.0
146.03748	6.4
147.04526	15.9
159.47398	3.0
161.02431	27.0
161.04526	3.7
162.03229	88.2
165.05582	35.4
173.95892	3.5
177.05591	22.1
177.91997	3.2
179.05684	27.3
180.04333	12.3
180.61337	3.1
183.06592	12.7
194.40761	3.0
195.06622	29.1
198.05334	6.4
202.36301	2.9
213.07703	32.8
215.71556	3.1
287.48303	3.4
313.59180	3.0
357.12115	22.1
375.12979	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66797	0.6
57.03437	0.8
58.00591	1.4
59.01373	1.4
59.38792	0.7
71.01373	4.1
84.73959	0.6
85.02937	1.4
87.00862	3.9
89.02428	0.7
92.50175	0.8
95.01353	0.7
101.02445	1.2
117.03374	0.8
122.03714	1.0
145.02939	3.1
149.02426	17.9
150.03223	49.4
161.04564	3.8
162.03226	5.6
164.04794	27.9
165.05571	100.0
177.05606	0.8
180.04369	1.7
195.06635	19.7
197.00929	1.5
234.02890	0.7
327.10898	14.4
371.37256	0.8
375.09357	2.9
394.16098	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	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.10081	1.1
62.69214	1.1
69.34756	1.3
69.47038	1.3
71.01359	1.9
89.02391	1.5
101.02431	1.6
113.02477	1.8
116.41599	1.3
138.03271	2.6
153.05574	78.9
153.06813	2.9
161.04530	5.7
165.05478	1.9
249.62941	1.4
257.79102	1.8
293.71484	1.3
317.80945	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	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43621	35.7
54.60909	33.7
69.26553	36.1
70.09657	37.0
71.01369	36.7
72.90211	40.7
152.04771	49.2
167.07152	100.0
213.02272	86.5
298.59125	38.4
375.12778	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	(1'R,2'R)-Guaiacyl glycerol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.88902	2.6
54.68654	3.0
59.01099	5.2
59.01383	100.0
61.53854	2.8
71.01379	49.3
73.88298	2.9
75.00867	6.5
83.55091	3.1
85.02946	15.0
89.02444	63.8
92.19391	9.0
95.01463	5.0
101.02418	23.7
107.05007	4.5
113.02456	20.2
117.03419	4.4
119.03470	16.2
143.03503	3.6
145.02963	38.1
146.03757	16.1
147.04533	12.2
148.80161	3.9
150.03180	13.2
161.02443	22.8
162.03235	56.8
165.05533	40.2
170.79430	3.3
177.05569	26.3
179.05635	16.3
180.04266	14.7
195.06596	32.1
197.04596	12.9
199.76201	3.1
212.06895	16.6
213.07735	14.1
339.12122	3.1
357.12006	26.7
375.12973	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.4
75.47525	1.6
96.66279	2.0
109.02947	15.2
111.99205	1.7
136.01672	8.3
143.99957	1.8
151.02946	1.6
151.03964	15.6
153.05566	11.0
161.04599	1.6
161.06093	2.3
175.03976	2.3
176.04803	6.3
189.05565	7.2
190.06303	3.9
191.07086	2.5
266.01291	1.7
267.06662	54.9
279.06607	11.7
282.08981	80.0
294.09015	3.8
297.08182	4.5
297.11319	100.0
312.10114	14.9
327.12411	48.9
345.13455	20.5
375.14645	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
58.00620	1.7
59.01384	100.0
67.71437	1.4
69.03399	1.6
70.43473	1.5
71.01378	42.5
73.02937	2.2
75.41846	1.6
76.38560	1.4
83.01358	1.9
85.02954	11.3
89.02429	40.6
92.20033	2.4
93.03489	2.4
95.01360	2.3
95.05023	7.4
97.06600	2.3
101.02438	22.9
107.05024	3.7
113.02427	23.2
115.07653	6.9
119.03468	15.3
128.03532	3.3
139.11282	7.7
143.03485	1.6
151.11282	53.6
151.15425	1.6
154.22647	1.6
159.28398	1.7
164.08397	2.3
167.10783	4.1
169.12308	2.6
177.09218	8.1
179.05594	7.0
185.11763	1.8
193.12381	7.1
195.10257	77.2
211.13362	1.7
213.11334	21.0
290.89914	1.7
331.11774	1.7
331.15845	2.7
357.12601	2.0
375.16266	20.7
375.27417	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24746	1.3
54.82805	1.3
55.01867	1.7
59.01386	83.9
64.89788	1.4
71.01381	36.5
73.02956	2.0
81.17175	1.5
83.01391	3.4
85.02936	13.7
87.00877	1.8
89.02441	37.0
89.23202	1.5
95.01399	3.0
101.02442	29.8
101.60656	1.5
113.02449	19.4
117.03497	1.6
119.03565	11.9
119.05023	40.3
137.63216	1.7
143.03520	1.8
145.02957	74.7
161.04579	2.1
163.04019	38.9
177.09142	2.5
179.05560	2.9
220.09862	1.6
233.37018	1.6
272.81390	1.5
339.10849	65.7
357.15497	9.0
375.16617	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.0
64.34938	1.5
70.08223	1.2
71.01379	18.8
73.02942	2.1
79.35760	1.5
85.02926	6.5
89.02437	19.4
91.32143	1.6
95.01379	1.5
95.05024	3.8
97.06601	1.7
98.03719	7.1
101.02431	8.7
107.05006	6.4
113.02423	8.4
114.86723	1.5
117.81364	1.7
119.03480	2.3
149.09665	1.8
151.11284	86.4
164.95708	1.5
169.12360	17.4
181.72250	1.9
195.10272	100.0
197.89818	1.5
200.67943	1.7
219.06535	2.3
242.09489	25.8
243.10274	7.2
280.10999	2.4
295.13547	2.0
301.14600	1.7
311.13007	1.8
313.14444	24.2
315.10239	1.5
331.15506	3.2
357.13379	6.6
373.08966	1.7
375.10699	3.2
375.14572	39.0
375.19266	3.3
375.27512	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1708
Annotation	Leuconicine B
Peak:m/z	Relative Intensity
51.82860	0.7
52.88944	0.7
55.76893	0.7
58.64642	0.7
59.01384	1.0
59.77737	0.6
67.22987	0.7
68.79218	0.9
271.20593	7.4
299.20151	9.3
317.21237	100.0
375.17126	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93626	0.5
67.38765	0.6
68.62612	0.5
93.73969	0.6
159.08463	9.4
182.02882	0.6
191.02905	0.7
220.13501	0.6
291.09116	91.9
309.10333	1.1
359.15381	100.0
375.18491	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	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
75.48891	0.6
77.30339	0.5
96.42568	0.6
139.73357	0.5
159.08478	10.1
161.06419	0.8
162.14499	0.6
220.25540	0.6
291.09125	94.1
350.75363	0.6
359.15390	100.0
375.18515	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51864	0.6
53.00977	0.7
54.01010	0.7
67.92101	0.7
79.96960	0.8
84.73898	0.7
97.00242	0.8
105.90491	0.8
106.39962	0.8
129.60524	0.9
159.08459	10.1
224.39290	0.7
291.09116	87.3
359.15387	100.0
375.18527	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07446	0.7
57.78833	0.7
59.01388	100.0
60.40904	0.9
71.01385	1.3
71.48891	0.8
87.95952	0.9
92.20047	1.2
100.24358	0.9
101.02435	1.7
110.49456	1.0
122.49066	0.9
152.97308	0.9
161.04544	1.5
183.06175	0.9
186.13031	0.9
219.32822	1.1
315.18140	6.1
362.71857	1.0
370.20142	1.0
375.21246	1.3
375.27594	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	375.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30698	0.7
51.05336	0.6
55.25200	0.7
61.98834	100.0
67.85374	0.8
70.61147	0.7
81.71291	0.7
89.91739	0.8
131.79251	0.8
148.64836	0.8
170.81807	0.8
208.55556	0.8
214.23523	0.8
283.96017	0.7
285.20618	8.3
375.09845	1.1
375.21790	4.8
375.26627	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	12.9
63.77047	5.4
68.43535	6.7
91.49865	6.5
95.05034	37.7
98.02909	5.9
135.76825	6.8
146.92609	6.5
223.13377	8.9
246.12386	36.6
271.84155	7.1
278.11426	58.4
293.21216	100.0
315.19440	45.9
375.21484	27.8
381.34177	6.1
393.01273	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	375.2179
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
56.94272	2.8
69.39063	3.6
72.42944	3.7
76.06622	3.5
76.98544	3.5
80.26674	3.6
97.45927	3.3
100.55060	3.2
114.86749	3.4
132.02878	3.6
184.45233	4.6
230.61111	3.8
243.17508	20.5
243.39441	3.8
315.19678	100.0
384.31073	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01384	20.3
60.91403	0.3
68.42885	0.4
71.01374	0.4
72.57933	0.3
85.06583	0.5
95.05561	0.4
101.01816	0.4
127.11310	0.8
143.10835	2.8
151.11256	0.8
153.12862	0.6
157.86270	0.5
158.32547	0.4
163.71107	0.4
169.12349	0.8
171.13933	0.7
202.47978	0.4
213.11424	0.6
285.20630	0.6
301.76132	0.4
311.22333	0.6
315.25497	3.4
329.23361	4.6
334.96161	0.4
339.25424	0.5
343.24741	0.6
357.26370	3.2
373.26071	1.5
375.14600	2.2
375.27521	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	376.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33875	2.3
61.98833	100.0
77.55688	2.1
79.47363	2.0
96.08810	2.0
109.82159	2.1
123.45221	2.2
127.75518	2.3
146.52164	2.3
205.79300	2.1
282.34595	2.1
296.92780	2.1
344.58609	2.2
346.07928	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	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18362	1.7
56.69408	1.6
59.01380	9.0
61.98818	2.6
64.76068	1.9
70.31015	2.0
75.03024	1.8
77.70496	2.1
78.95918	4.3
89.02426	3.4
96.87686	2.2
101.02456	2.6
103.22126	1.8
109.69554	2.0
118.47717	2.1
119.03445	2.6
140.94696	2.0
152.91734	4.1
174.99313	2.7
194.92647	3.3
194.93861	8.6
219.00789	2.2
298.98584	2.2
341.10910	11.0
377.03769	4.0
377.08578	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86930	1.2
59.01381	13.1
71.01385	10.0
78.62720	1.0
89.02440	27.4
97.77307	1.2
101.02431	13.3
104.04916	1.2
113.02464	7.9
119.03501	7.9
123.08188	1.2
130.10687	1.1
131.03546	1.2
131.83943	1.5
143.03406	1.5
161.04559	3.1
179.05603	6.4
196.60487	1.3
215.03246	8.2
285.08450	1.3
341.10944	47.9
377.08578	100.0
379.43680	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	377.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
62.86863	0.7
65.98725	0.7
74.19711	0.7
78.95911	26.1
89.02449	1.0
92.19469	0.8
93.14626	0.9
96.96963	100.0
114.71693	0.7
123.04535	0.8
125.02476	1.1
139.89514	0.7
151.04042	1.1
167.82724	0.8
279.10907	3.2
289.07098	1.0
359.07538	1.0
359.85324	0.8
377.08603	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	377.0879
Annotation	vaccihein A
Peak:m/z	Relative Intensity
59.01387	6.7
61.62890	0.7
63.68470	0.6
69.83021	0.8
71.01366	1.0
72.89762	0.6
72.99294	4.4
73.02945	1.4
78.41795	0.7
81.03441	1.2
83.01389	6.3
83.05009	4.5
85.02952	3.8
86.97368	0.7
92.20029	1.2
95.04979	1.3
97.02927	3.3
99.04486	0.9
101.02463	1.7
107.05004	0.7
109.02950	15.9
109.06581	0.9
111.00903	1.0
111.04502	1.2
114.68926	0.7
121.02929	4.6
121.06546	1.3
123.04517	24.9
125.02449	1.2
125.06062	1.2
127.03989	10.9
129.01949	3.6
131.74831	0.8
135.04498	3.4
137.06070	1.0
139.04033	1.2
145.02936	3.4
145.05069	1.5
149.02461	7.8
151.04007	17.0
153.09224	1.2
159.04539	1.1
161.02426	1.7
161.06071	4.7
162.03177	2.4
163.04019	9.0
165.05571	4.6
171.10306	1.1
175.03883	1.2
177.05562	1.7
179.03496	2.8
183.06639	1.3
183.23616	0.7
187.03989	1.5
189.05547	1.3
191.03445	3.9
191.07156	2.8
193.05048	2.9
203.07164	3.7
205.05067	11.9
215.09259	4.4
221.08243	6.0
225.04248	1.2
229.08714	1.3
231.02682	2.2
231.06535	0.8
245.08139	3.4
247.06033	1.8
247.09767	3.2
259.09738	2.9
271.09897	1.5
273.07758	1.0
289.07272	0.8
289.10745	1.0
291.08862	1.6
295.34323	0.9
309.09830	1.5
315.08847	4.2
331.08185	5.0
333.09808	4.5
359.07709	12.4
377.08798	100.0
377.21753	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	377.088
Annotation	vaccihein A
Peak:m/z	Relative Intensity
54.94505	1.4
55.31787	1.4
55.78658	1.6
59.01377	2.7
66.12103	1.5
81.03479	3.1
81.18358	1.5
87.00875	51.3
97.02975	3.1
107.05063	1.9
107.18327	1.6
109.02968	21.0
123.04505	10.4
125.02428	10.7
137.02441	21.7
139.03975	3.0
149.02441	3.7
151.04001	24.7
161.06071	2.4
163.04004	7.4
165.01917	2.7
167.03500	1.9
177.01866	2.3
179.03432	13.2
187.03966	3.2
191.03554	12.1
203.07159	14.5
205.05084	19.5
217.01338	1.8
221.08081	2.3
228.08099	1.8
245.08192	19.3
247.06110	2.4
289.07169	44.9
315.08759	2.7
341.06641	30.9
359.07715	1.6
377.08810	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	377.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54086	1.3
51.11852	1.4
59.01379	26.2
59.33500	1.3
62.25813	1.3
63.05100	1.4
63.39801	1.2
66.39577	1.4
71.01374	13.7
72.99306	14.8
73.02938	1.7
83.01405	2.7
85.02936	2.7
87.00870	38.2
89.02457	11.3
92.78001	1.7
95.01399	2.1
97.02985	1.6
101.02437	18.8
107.05017	3.9
109.02941	14.8
113.02493	6.7
115.41537	1.5
123.04513	8.4
125.02434	8.3
127.44969	1.7
134.14474	1.4
135.04526	45.4
137.02455	13.5
137.06059	3.5
137.29373	1.6
149.02509	1.9
149.06100	3.4
151.04027	20.8
159.04546	1.7
160.19534	1.6
161.06104	2.4
163.04053	3.9
165.01932	2.1
177.01878	2.3
179.03571	8.5
179.10768	13.4
181.05034	3.8
187.03993	2.6
188.04803	1.8
191.03542	9.7
195.06670	3.0
197.11833	10.9
203.07156	9.7
205.05095	11.1
215.12811	2.4
216.51540	1.7
227.07570	1.8
245.08086	13.3
247.06151	2.7
255.62410	2.1
289.07199	22.9
290.17599	1.6
341.06775	16.0
377.08813	80.8
377.18228	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	377.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23794	33.9
52.97638	32.7
59.01390	100.0
60.30027	39.4
62.18602	37.1
62.45193	31.5
78.72008	38.9
81.23855	37.0
90.12334	38.6
119.06543	46.8
123.77333	48.4
140.76236	46.0
145.02933	73.1
299.15967	40.6
339.10803	56.9
377.09241	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	377.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30147	9.6
59.01380	42.2
59.03964	9.8
59.78397	9.3
65.50606	8.8
113.02545	10.8
145.03000	100.0
161.04486	11.6
171.10168	13.2
215.09271	24.6
270.23135	9.1
339.10931	21.8
377.09216	47.1
377.21756	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.6
71.01389	3.5
72.99311	2.5
80.64871	1.7
87.00863	11.4
89.02440	6.9
91.05540	9.4
101.02392	2.3
107.05040	17.3
109.02937	7.7
113.02476	2.2
121.02936	3.3
123.04501	4.1
124.01648	2.9
125.02395	2.3
130.76523	1.8
134.03726	3.2
135.04524	100.0
136.05302	3.4
137.02383	3.0
137.06093	4.0
139.04025	2.5
145.02914	4.7
147.04582	2.0
148.05293	2.4
149.06065	4.6
151.04019	7.5
161.06097	8.0
165.05530	2.5
179.07181	3.0
181.05081	14.6
191.03496	2.3
192.35504	2.0
193.05174	2.2
195.06606	11.5
197.11757	2.4
203.07166	2.8
205.05054	2.9
235.06166	4.6
245.08272	2.5
275.16647	2.3
289.07214	9.3
305.17679	3.6
305.38971	2.1
329.10373	9.8
330.57718	2.0
333.17078	2.2
341.06738	4.2
341.10379	2.8
357.50873	1.9
377.08801	25.5
377.18448	39.0
377.87781	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	377.1456
Annotation	Lamiol
Peak:m/z	Relative Intensity
59.01384	34.1
68.17030	1.7
71.01373	2.2
73.02939	7.5
85.02946	8.1
87.04502	3.3
97.02923	3.5
101.02428	2.5
113.06108	2.2
122.93819	1.6
123.08157	8.7
125.09748	1.9
135.08128	13.4
141.09221	81.0
153.09201	45.2
153.10400	2.6
155.10774	4.0
165.09219	6.5
171.10266	100.0
175.11327	6.7
183.10315	7.5
185.08226	16.3
185.11794	3.1
197.08206	17.6
197.35028	1.8
199.09818	2.9
209.08209	3.9
215.03461	1.6
215.09268	98.1
215.16507	3.0
229.10942	2.8
239.09427	2.2
257.10294	53.7
271.16971	2.1
273.14960	1.8
287.11353	15.4
289.18146	3.5
315.15564	1.7
317.08765	2.1
317.12418	46.3
328.78183	1.6
333.17096	6.9
347.14847	2.5
377.14856	58.4
377.21826	5.6
377.28091	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	377.1605
Annotation	Gibberellin A23
Peak:m/z	Relative Intensity
59.03014	1.0
64.70249	1.0
113.00971	1.1
181.05066	11.9
208.88696	1.1
218.16045	1.1
229.08670	2.5
258.59937	1.2
259.17184	2.3
287.16516	5.8
297.15082	1.7
300.13718	4.9
305.17505	10.0
315.16058	46.9
319.98145	1.2
331.15292	1.2
333.17126	2.7
349.16547	2.4
359.14774	1.1
377.16089	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	377.1609
Annotation	Daphneresinol
Peak:m/z	Relative Intensity
59.01382	16.6
80.45412	0.7
84.79056	0.7
84.93904	0.7
117.73573	0.8
172.51599	0.8
231.10252	4.4
245.11937	1.6
248.06664	1.2
260.71716	1.0
261.73367	1.0
274.40082	0.9
287.12949	1.5
289.18283	1.7
291.16129	3.1
301.18127	1.7
317.14240	0.8
317.17578	6.6
329.13745	1.2
345.17017	13.7
347.15015	77.5
374.39777	0.9
377.02966	3.2
377.15997	100.0
377.19897	37.8
380.65762	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	377.1607
Annotation	Daphneresinol
Peak:m/z	Relative Intensity
59.01375	1.8
72.38110	1.1
84.95380	1.3
87.69585	1.1
90.66062	1.2
93.26567	1.3
108.94860	1.2
109.02943	2.7
113.02576	1.6
122.03745	6.8
125.02431	8.1
135.04555	1.5
136.05313	1.3
137.02448	22.9
138.03239	12.1
139.07712	1.5
149.02440	75.7
150.03214	27.2
152.04805	3.0
158.00966	1.3
164.04793	30.8
165.05560	39.6
166.06386	1.8
167.07114	2.8
180.04282	4.7
181.05070	34.3
195.06662	26.2
267.10199	1.4
283.09760	6.7
285.11414	1.7
289.14868	1.6
314.11624	61.0
315.12570	1.5
329.13965	100.0
330.38031	1.6
331.11932	6.3
333.09805	1.3
333.13315	1.6
362.13876	14.0
377.16104	78.6
377.25620	2.4
389.28027	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	377.1608
Annotation	Gibberellin A52
Peak:m/z	Relative Intensity
56.53551	4.9
60.47332	5.0
60.95334	4.5
63.70586	4.4
82.01408	4.8
109.02911	5.9
125.02454	5.7
127.87987	5.3
146.77396	4.8
150.03224	9.8
152.63837	5.3
165.05612	7.2
201.16481	9.2
225.12848	20.8
241.15945	32.9
245.15439	12.4
285.14923	30.1
303.16034	7.0
315.16071	29.6
333.17075	8.9
347.14890	5.5
358.57605	5.7
377.12262	11.5
377.16040	100.0
377.19922	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87354	0.8
59.01384	16.1
67.38379	0.9
67.40770	0.9
71.01377	13.1
71.69218	0.8
73.02944	11.0
73.52496	0.9
83.01392	1.6
85.02959	5.1
89.02454	6.9
95.01392	1.1
101.02438	11.4
105.97225	0.9
106.23671	1.0
113.02421	3.8
119.03510	1.2
124.87655	1.0
141.09174	7.3
169.12352	1.7
197.11856	5.9
201.97285	0.9
215.12886	24.7
265.86542	0.9
377.18204	100.0
379.11203	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87125	9.1
58.58780	9.7
58.60933	9.8
59.01372	22.2
68.47752	10.6
71.01391	14.6
92.19513	23.4
167.78261	13.0
377.18149	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	377.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	4.7
59.01385	100.0
68.13265	2.1
71.01376	2.9
83.05018	4.0
84.02176	18.6
85.02951	34.9
87.00880	3.0
95.05009	5.0
97.06578	4.7
111.04513	14.0
116.80032	2.3
132.55728	2.0
132.70087	2.3
139.04037	10.8
147.08109	2.5
153.09175	2.4
159.04530	2.9
171.10269	18.3
171.11554	2.4
175.35799	2.4
177.12877	33.4
188.08392	3.6
199.11334	3.2
215.14619	2.9
217.08536	2.4
217.12207	2.2
243.17566	3.6
245.07990	2.7
255.17514	3.2
271.14124	2.3
271.17038	9.1
289.18036	3.2
299.16428	23.8
311.70303	2.2
315.12500	3.5
315.15985	13.3
317.17667	20.8
333.17032	4.9
359.14862	4.5
369.61435	2.3
377.11951	3.0
377.15784	26.4
377.19818	11.0
377.28162	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	377.1972
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
53.89207	1.1
59.01387	13.3
64.78505	1.1
66.01995	1.1
68.67461	1.2
118.29503	1.1
201.35886	1.3
213.40451	1.5
217.08575	2.4
231.10239	44.9
232.11084	2.0
245.11821	10.5
259.13358	20.3
260.14157	14.5
264.10162	2.9
275.16507	1.6
289.14523	2.9
290.15228	24.8
301.14423	1.5
303.12296	7.4
305.17584	5.3
318.18390	23.4
333.20801	10.8
377.19739	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10079	2.1
54.54840	1.9
56.12280	2.1
59.01390	28.0
60.01088	2.0
65.06230	2.2
92.20020	3.1
97.74986	2.2
120.74945	2.0
171.10281	71.3
213.19089	2.7
277.21753	100.0
295.22830	86.8
298.80923	2.7
317.20993	47.1
377.18356	3.6
377.23123	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2314
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
59.01400	15.2
81.85921	3.7
125.02492	5.0
195.13919	35.0
217.00772	4.2
277.21716	18.1
277.97601	4.1
278.11496	5.2
292.70132	3.8
295.22839	100.0
317.21011	59.4
377.18524	4.4
377.23206	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
72.28965	0.3
74.57921	0.3
81.03459	0.6
83.01382	5.9
83.46978	0.3
89.48592	0.4
113.86766	0.3
123.04528	0.8
125.02433	100.0
149.02428	0.7
151.00401	0.6
167.03406	2.5
251.20119	7.4
269.99820	0.4
292.09525	0.6
293.08823	4.7
319.38297	0.4
361.15237	5.5
377.18796	1.1
377.23318	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	377.2335
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
57.03453	0.9
59.01380	1.1
63.82034	0.8
73.05967	0.9
80.42527	0.8
81.03449	10.9
85.46617	0.8
125.02443	22.2
151.00272	1.6
226.85887	1.1
251.20291	1.2
263.23651	1.2
267.23111	1.0
273.22253	2.0
273.55228	1.0
291.23355	6.9
303.58386	1.0
333.24365	20.8
377.23361	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	377.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40434	1.5
57.03460	2.5
57.61009	1.2
58.55661	1.4
59.01386	38.2
62.31915	1.2
66.74149	1.3
68.76748	1.2
85.22249	1.4
96.96020	2.3
103.18811	1.5
109.42554	1.4
121.57182	1.6
144.79080	1.4
154.04596	1.5
187.37613	1.5
250.45830	1.4
263.81018	1.3
317.28625	7.8
333.31506	12.3
359.29620	17.7
377.30685	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	378.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33654	0.6
61.98838	100.0
67.84643	0.7
68.25774	0.6
69.28948	0.6
70.33600	0.6
85.83984	0.6
92.20005	0.8
126.21951	0.7
144.80113	0.7
153.05547	0.9
284.53860	0.8
288.61224	0.7
328.37354	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	379.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37901	1.2
56.83563	1.1
59.01352	1.3
59.50481	1.2
77.82222	1.2
80.05064	14.0
87.07813	1.4
108.04531	1.8
112.04061	1.8
121.05345	8.2
122.06097	29.5
124.04026	8.4
124.07652	17.1
132.04573	18.8
134.06093	2.9
138.05551	3.3
140.07138	2.1
148.04044	32.3
150.05606	43.0
160.04027	2.7
161.04810	6.9
176.03503	9.7
177.04260	9.5
177.95110	1.3
178.05109	8.5
184.06161	10.1
186.08298	1.6
192.03033	20.0
192.06703	1.4
192.25365	1.5
194.04602	44.8
194.56984	1.2
200.07143	6.5
202.08771	2.8
212.10782	20.1
213.10431	1.8
221.03212	1.9
230.11899	12.4
231.11398	10.3
240.08975	2.4
255.11368	29.9
273.12439	11.2
299.10284	2.0
317.11401	2.5
343.09332	18.7
361.10501	21.3
379.11469	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	379.1581
Annotation	DMH-1
Peak:m/z	Relative Intensity
54.27774	1.4
54.59573	1.4
56.10760	1.4
67.56329	1.6
73.55051	1.5
84.93884	7.0
99.92585	60.7
100.93379	14.5
103.63662	1.5
115.92067	22.2
116.92860	82.9
125.67944	1.7
207.87604	1.8
279.23373	2.0
295.12997	1.9
347.26151	2.0
379.15845	100.0
379.28867	32.3
389.70236	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00518	1.2
54.02462	1.3
54.22650	1.5
59.01380	10.3
73.02945	21.7
97.06590	2.1
108.25574	1.7
108.47332	1.5
115.28976	1.8
123.08163	1.6
125.06076	7.8
139.07611	3.4
143.07141	100.0
155.10783	56.4
157.08694	25.1
161.65558	1.7
164.49821	1.4
165.01988	1.7
199.09744	9.7
217.10811	63.6
246.49539	1.7
259.11938	17.6
285.45007	1.7
289.12885	10.3
319.13934	27.4
379.16464	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65062	0.8
59.01394	3.3
67.60059	0.7
71.01368	1.3
73.02948	18.2
87.04494	3.7
90.88732	0.8
93.22234	0.8
97.02954	1.3
97.06568	3.0
101.02427	1.7
107.58312	0.8
115.03983	1.1
125.06070	4.9
134.40871	0.7
137.09723	1.0
141.01414	0.9
143.07140	100.0
155.10779	38.7
181.08739	0.9
199.09785	6.0
217.10812	65.3
241.10974	1.3
259.11871	11.6
283.08920	0.9
289.12949	5.7
319.14008	16.8
379.16141	19.6
381.58322	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28724	1.1
59.01096	2.1
59.01380	27.8
71.01376	16.2
71.01746	1.6
73.02937	12.6
81.03449	1.7
85.02968	3.4
89.02440	24.3
99.00874	5.4
101.02444	14.5
113.02460	7.4
119.03474	2.9
125.06078	2.4
139.07803	1.3
143.06091	2.3
143.07141	45.4
149.04555	8.6
151.04048	2.2
155.10802	35.2
157.08652	2.3
161.04639	2.2
181.08710	100.0
199.09752	7.6
217.08931	1.8
217.10847	35.9
247.11795	5.6
343.14035	36.1
374.91437	1.6
379.16162	44.9
379.21445	2.2
379.22964	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	379.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
64.48923	1.3
69.55163	1.3
75.82954	1.4
89.62794	1.5
90.28587	1.3
123.08117	1.9
139.17308	1.6
187.07687	9.8
220.76561	1.6
236.07622	1.6
241.12416	12.6
260.17719	1.7
311.16547	100.0
330.26126	1.7
343.15070	2.9
343.19171	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	379.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98887	1.1
52.51068	1.1
59.01377	6.3
71.01363	1.4
81.03436	3.3
82.51940	1.4
83.05009	13.8
93.03455	95.2
96.96018	1.9
111.04511	36.4
120.65139	1.3
128.03427	1.3
137.02443	100.0
155.03497	90.5
167.10815	1.9
195.13843	2.2
205.12357	2.2
223.13420	20.9
310.60571	1.3
379.17538	25.8
379.21658	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	379.1766
Annotation	Cinncassiol C1
Peak:m/z	Relative Intensity
59.01380	2.2
66.69071	0.8
71.71916	0.9
80.96532	4.3
109.06597	7.6
138.49379	1.0
146.90782	1.0
148.05249	3.1
150.06847	4.1
163.07666	4.9
185.41693	0.8
188.31134	0.9
218.54854	1.1
239.10837	1.2
240.11610	9.6
253.09480	1.0
255.14037	2.1
271.13422	1.1
273.14972	1.2
289.14511	9.1
290.15265	6.0
300.59369	1.1
305.17511	1.1
307.71481	1.0
331.15396	1.1
349.16602	77.2
374.95676	1.0
379.17694	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	379.1976
Annotation	JBIR-57
Peak:m/z	Relative Intensity
59.01384	66.3
62.58260	0.9
71.01374	11.0
73.02943	5.0
83.01396	2.0
85.02935	7.3
89.02454	3.9
96.30267	0.9
97.50399	0.9
98.56585	0.9
99.00883	2.0
101.02445	20.1
101.06123	1.2
113.02458	6.0
113.06097	1.0
161.04619	2.2
199.13426	1.2
216.04327	1.1
219.02765	1.1
244.29553	1.1
317.17383	1.5
319.17734	1.2
331.09860	1.7
335.11224	1.7
335.14951	1.3
361.18683	7.9
379.14011	5.9
379.19797	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	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.3
62.58260	0.9
71.01374	11.0
73.02943	5.0
83.01396	2.0
85.02935	7.3
89.02454	3.9
96.30267	0.9
97.50399	0.9
98.56585	0.9
99.00883	2.0
101.02445	20.1
101.06123	1.2
113.02458	6.0
113.06097	1.0
161.04619	2.2
199.13426	1.2
216.04327	1.1
219.02765	1.1
244.29553	1.1
317.17383	1.5
319.17734	1.2
331.09860	1.7
335.11224	1.7
335.14951	1.3
361.18683	7.9
379.14011	5.9
379.19797	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	379.2492
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
50.44551	0.6
50.63934	0.5
59.01379	1.0
63.32119	0.7
64.17916	0.7
75.68765	0.6
78.35725	1.0
81.03468	5.9
114.43444	0.7
122.03721	4.3
125.02459	8.8
151.00372	1.2
153.90878	0.8
175.98857	0.7
176.52386	0.7
177.07622	0.8
196.21921	0.9
232.47359	0.8
261.85123	0.8
293.24890	4.3
295.22821	2.7
297.24301	1.0
307.26489	0.8
317.24805	3.8
335.25943	19.3
379.24918	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	379.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.44963	1.0
67.95608	1.3
68.01432	1.3
80.16979	1.5
118.29601	1.5
136.47713	1.4
146.39098	1.3
192.20529	1.2
225.33209	1.7
234.69948	1.3
249.18559	2.1
255.75513	1.4
259.42749	1.3
275.20090	6.0
293.22256	1.5
295.61957	1.3
305.28067	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.25035	1.1
61.98837	1.1
62.72037	1.1
80.15599	1.1
108.72279	1.3
110.11603	1.4
125.02454	1.9
185.44078	1.1
185.89247	1.2
329.37766	1.3
379.21368	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	380.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.3
69.40196	1.0
70.64028	1.0
71.01362	8.8
84.68904	1.1
85.02939	1.6
87.00873	34.2
89.02437	9.1
98.02470	2.0
99.00870	6.9
100.98774	1.5
101.02427	2.3
104.49124	1.3
106.46730	1.0
112.98814	5.0
115.00355	26.6
117.01926	1.6
120.54111	1.1
125.02464	1.0
127.03987	1.1
127.99869	2.6
141.82239	1.0
142.05000	1.1
142.99852	2.7
155.03470	1.4
161.00935	18.0
170.00880	11.5
173.04507	1.5
186.11583	1.3
191.05630	100.0
204.80501	1.2
213.92708	1.0
288.91733	1.1
342.11331	11.6
346.77921	1.3
380.08521	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	380.1562
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.89645	1.0
59.01386	13.4
61.37614	0.9
71.00999	1.4
71.01383	31.0
71.05014	1.6
83.01425	0.9
85.02924	1.2
88.04037	5.0
89.02063	0.7
89.02454	10.8
101.02440	11.6
112.00694	0.9
113.02399	4.0
116.03482	1.2
116.07153	1.4
117.77793	1.2
119.03485	5.1
128.07196	1.5
146.08231	79.9
161.04512	1.8
200.09268	1.2
263.11401	1.2
308.13550	3.9
340.98871	1.1
380.15637	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	381.0959
Annotation	Myobontioside A
Peak:m/z	Relative Intensity
59.01372	11.5
59.17698	6.3
70.96131	6.1
71.01406	5.5
89.02430	30.6
101.02446	9.8
113.02463	9.0
119.03470	11.2
119.04995	11.5
135.04510	10.3
147.04507	34.6
179.05632	30.4
215.05016	5.5
236.15379	5.8
284.76013	6.7
327.10913	19.3
345.11786	9.7
381.09619	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	381.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73293	4.9
56.63295	4.7
56.95377	4.8
59.01374	10.3
66.90919	4.3
71.01369	7.0
74.17965	4.3
85.02950	5.1
89.02431	7.2
101.02481	7.8
119.05018	4.4
135.04538	100.0
157.07732	9.4
162.57886	5.1
165.05579	27.1
168.22337	4.4
181.07616	7.8
261.08826	11.0
270.84189	5.1
286.80588	5.5
297.09839	22.1
327.10797	11.1
361.20856	5.7
381.09515	83.9
381.13580	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	381.0982
Annotation	Velloquercetin 4'-methyl ether
Peak:m/z	Relative Intensity
54.58372	1.4
57.03474	1.3
59.01384	1.3
59.98342	1.3
67.55743	1.3
81.54483	1.4
83.93690	1.3
95.05022	1.6
107.16084	1.5
109.02961	21.7
114.40285	1.4
115.39535	1.5
123.04512	22.1
125.02421	5.8
151.03986	22.6
159.04478	1.7
163.04004	1.8
173.06119	1.6
175.03990	21.9
183.39998	1.6
184.83449	1.4
187.03981	10.7
187.43764	1.6
188.04828	2.7
189.05565	6.7
195.00232	1.5
213.05602	2.0
214.02632	1.9
215.03545	15.4
216.04260	2.1
217.05055	19.9
229.05086	25.2
230.05858	8.7
231.06613	10.1
243.06665	3.1
253.04988	1.9
256.03748	1.9
257.04449	10.7
259.06122	5.7
271.06323	2.0
281.04614	17.3
295.30237	1.6
297.07697	11.5
302.30368	1.5
339.08734	36.8
381.09827	100.0
395.22534	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	381.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94450	1.5
51.55273	1.4
52.52985	1.2
54.12039	1.2
58.31698	1.8
71.01394	1.7
73.02936	1.4
82.23519	1.9
94.03739	1.5
94.05341	1.5
100.26655	2.0
101.06094	1.9
119.87746	1.6
125.82661	1.6
174.84230	1.5
181.08705	100.0
182.09012	2.4
182.84377	1.5
183.09235	3.4
192.05971	2.3
217.65068	1.6
343.14011	34.7
381.11398	3.7
381.18936	6.3
401.37750	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03439	1.2
57.74891	0.6
59.01102	1.1
59.01384	19.2
65.56717	0.6
71.01385	26.3
71.82493	0.6
72.99298	1.1
73.02952	19.9
81.03486	0.9
83.01384	5.6
85.02951	17.0
87.00880	1.5
89.02454	5.5
92.20103	0.7
95.01389	1.5
97.02976	2.4
99.00887	7.3
101.02442	42.3
102.16935	0.6
111.00821	1.1
111.75227	0.6
113.02450	17.5
125.02429	1.1
131.03496	1.5
145.02927	2.8
159.02942	3.8
161.04575	8.0
172.14073	0.7
177.58392	0.7
233.06615	1.0
249.13461	36.0
317.17377	1.0
337.20340	8.1
381.17725	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	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
51.41833	0.6
59.01386	1.0
68.80910	0.7
137.09732	1.4
172.93150	0.7
178.99072	0.6
181.08662	1.5
245.19078	3.6
249.13483	1.4
273.18542	0.7
335.18533	1.1
337.14133	0.8
337.20239	53.2
381.19217	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	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84854	0.5
53.52271	0.5
53.56814	0.5
56.94471	0.5
57.03441	0.8
57.96492	0.5
59.01380	2.4
73.93084	0.5
81.03444	6.1
83.05050	1.0
99.08128	0.6
100.94577	0.5
100.97174	0.6
109.06628	0.7
122.03725	1.0
125.02431	13.4
129.09198	2.3
136.05243	0.6
147.97513	0.6
151.00359	0.7
153.05429	0.6
163.11261	0.6
181.95973	0.6
232.78346	0.6
253.10101	0.6
255.19615	1.3
287.38950	0.7
295.22687	2.9
297.20697	1.1
303.49286	0.7
319.22720	1.3
331.68509	0.6
337.23840	14.0
359.15732	0.6
381.22830	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66589	0.4
59.01380	3.0
71.05029	4.4
91.03965	0.7
95.05005	0.7
95.87138	0.6
109.06596	10.5
110.03687	0.8
111.04507	5.3
111.08154	1.0
111.56519	0.6
120.05798	0.5
123.08174	1.0
127.07650	3.6
137.06059	0.7
143.10757	0.9
145.06627	1.4
149.09715	1.3
151.11212	0.6
167.10771	3.9
179.10753	1.2
181.12279	0.7
195.13913	14.2
202.47398	0.7
216.05830	0.6
233.15457	0.8
235.13383	2.4
245.19069	8.1
251.16425	0.9
271.16989	2.9
287.16592	2.9
289.18112	100.0
307.19202	8.2
319.16092	0.6
345.17007	1.0
360.38577	0.6
363.21725	5.3
363.84863	0.6
381.22827	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92446	1.4
85.91988	1.6
104.32213	1.5
138.06841	1.9
153.12833	2.2
162.05597	2.0
163.11253	1.6
165.12836	2.3
179.10829	6.7
181.12352	38.3
197.11891	2.6
199.13411	100.0
241.53955	1.8
329.75742	1.6
363.25479	6.7
381.26431	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
74.96957	1.8
98.59023	1.8
100.55790	2.0
109.75851	1.9
115.19512	1.7
127.93053	2.0
147.80080	1.7
152.99503	2.0
176.57462	1.7
199.13326	3.6
252.39931	1.9
277.18085	100.0
279.19650	27.6
295.19168	94.8
363.25302	17.9
381.26514	24.0
387.07944	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	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46517	1.8
59.01386	100.0
92.19447	2.8
96.96006	36.1
108.52125	2.3
111.77592	2.1
119.88726	2.0
188.21106	2.6
337.11011	2.3
366.07376	2.8
381.09900	17.1
381.17172	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	5.3
59.01384	100.0
75.11085	2.5
103.67979	2.8
104.55680	2.5
105.51640	2.8
217.00493	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	382.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28018	0.5
59.01378	0.9
64.42010	0.4
71.01394	0.7
77.78627	0.5
78.00919	0.5
82.58754	0.5
99.16734	0.5
106.50391	0.5
112.31464	0.5
129.62527	0.5
130.08687	0.5
170.32607	0.5
175.02750	100.0
176.03540	24.3
176.05003	1.1
234.65526	0.5
255.95256	0.6
338.08835	67.7
382.07782	21.3
382.12802	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	382.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49000	0.8
51.62048	0.7
52.11170	0.7
57.65170	0.9
59.51354	0.7
61.98835	100.0
76.36604	0.9
81.22884	0.9
109.02924	0.9
111.04498	1.2
139.04050	1.5
183.40369	0.9
207.14096	0.9
237.56912	1.2
250.42311	0.9
319.08014	2.1
364.36755	1.0
389.28152	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	382.1007
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.09999	0.7
52.16661	0.8
52.18022	0.6
66.17210	0.7
70.94628	0.7
71.01388	10.3
76.65158	0.7
96.96982	1.0
113.09628	0.8
115.00373	13.5
131.01750	1.4
134.04732	100.0
134.47089	0.8
162.07855	7.7
188.05835	1.4
206.06841	27.2
250.05824	3.6
266.08994	6.0
382.10095	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84274	0.6
59.01389	7.5
62.63706	0.6
71.01383	4.7
72.99318	0.8
74.17782	0.6
75.00871	18.7
76.47472	0.7
77.42167	0.6
85.02946	1.4
87.00861	12.5
89.02429	5.5
101.02444	4.0
101.37804	0.6
113.02445	3.4
115.05537	0.7
130.06624	4.1
132.04562	19.2
150.51845	0.7
158.06108	100.0
174.05566	5.1
202.05118	29.8
220.06145	6.2
237.06178	4.2
249.06013	5.3
341.65387	0.7
382.11487	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11496	0.3
53.96897	0.4
59.01400	0.7
70.30764	0.4
71.01386	0.4
85.02950	2.8
87.00853	0.6
93.03444	1.0
95.57212	0.6
127.03941	0.5
149.78378	0.5
173.04495	0.9
180.09019	0.4
191.05620	100.0
191.93672	0.5
279.54318	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	383.0986
Annotation	Isofraxidin glucoside
Peak:m/z	Relative Intensity
56.59087	0.8
56.66912	0.8
59.01365	1.2
60.39767	0.7
75.00858	11.9
79.86883	0.8
80.09201	0.8
87.00870	1.4
92.20091	0.9
106.63847	1.0
119.05020	38.9
145.02954	100.0
156.12830	1.0
163.04010	96.3
181.08670	1.7
221.04555	29.6
325.09360	1.9
345.14520	0.9
350.82092	1.0
383.09811	54.7
383.20673	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	383.1139
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
51.04984	0.6
59.12110	0.7
90.72729	0.8
133.60408	0.7
197.10329	0.8
228.52806	0.8
238.06329	1.9
251.07249	7.0
252.11601	1.9
253.08772	1.6
253.12222	0.9
260.01956	0.8
265.08740	5.2
266.09534	1.2
267.10324	1.1
268.11047	1.0
280.10962	3.2
281.05270	0.9
281.08203	8.4
281.11798	4.0
282.12589	1.1
294.09109	1.6
295.09729	3.5
296.07281	0.9
296.10275	2.4
306.09195	0.8
307.09766	3.6
309.07718	100.0
310.12192	3.5
311.12973	4.9
313.14420	5.1
313.17831	1.2
324.10037	20.4
339.12509	3.3
368.08829	1.4
383.11368	54.9
383.19189	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	383.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
84.93375	0.6
85.02952	1.4
165.66078	0.8
191.05623	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	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77158	2.3
53.00372	2.0
54.72208	2.1
57.98383	2.1
59.01385	44.2
59.03665	2.2
60.08642	2.5
63.49714	2.8
80.26139	2.1
80.74415	2.2
83.04264	2.3
145.71805	2.5
177.12756	2.6
185.11850	100.0
217.05164	2.6
222.57732	2.5
259.44284	2.7
340.08969	3.0
383.14719	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	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03448	8.6
59.01108	1.8
59.01384	37.5
71.01002	2.3
71.01379	54.9
71.05021	1.1
73.02953	21.0
75.00867	1.4
75.05923	1.1
79.82140	1.2
83.01387	8.3
84.32545	1.2
85.02954	25.8
87.00860	5.1
89.01969	2.0
89.02438	22.3
95.01386	2.9
97.02969	1.6
99.00870	8.1
101.02441	56.5
103.04012	100.0
103.48808	1.5
103.69276	1.4
113.02438	35.6
117.05561	9.3
117.72266	1.3
124.25925	1.3
125.02428	3.0
134.04726	5.6
139.26749	1.4
141.44232	1.2
143.03476	1.9
149.04517	2.7
149.06044	1.7
159.02977	8.1
161.04564	29.8
175.02699	2.0
177.02017	1.7
191.05595	1.6
207.07103	1.6
251.11359	99.4
383.05530	1.5
383.10254	9.1
383.15561	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.98259	0.5
74.80968	0.5
99.38197	0.5
151.38394	0.5
197.11819	2.1
211.13245	0.6
223.13284	0.6
223.15472	0.5
231.14011	0.9
249.15002	8.9
291.19513	2.1
309.20737	2.1
323.18655	5.0
343.72861	0.5
360.68958	0.6
383.24338	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	383.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26562	0.5
52.30100	0.6
59.01385	100.0
61.19726	0.7
71.36309	0.7
103.16296	0.7
107.50559	0.9
138.58200	0.8
139.31770	0.7
147.38350	0.8
148.41165	0.7
171.10147	1.1
195.20129	0.7
197.11794	1.2
198.86969	0.8
249.14967	8.7
291.19797	1.5
309.20636	3.7
321.24374	1.0
323.18552	5.0
327.30814	0.9
365.23096	1.6
383.24332	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	383.2076
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
69.69894	0.5
70.86769	0.5
85.06745	0.5
93.51315	0.5
96.23746	0.5
125.38041	0.6
145.39136	0.5
179.07076	4.8
247.20671	5.3
275.20206	1.0
289.17920	0.9
299.82114	0.6
303.19617	0.7
319.19348	0.6
321.20749	3.2
325.19183	0.6
339.21783	51.1
347.18732	3.0
362.26828	0.6
365.19629	7.1
383.20792	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	383.208
Annotation	Perseanol
Peak:m/z	Relative Intensity
57.03445	0.5
57.27021	0.5
59.01379	3.4
68.26247	0.5
71.01390	2.5
73.02947	14.6
75.73384	0.4
79.05560	0.8
85.02950	12.4
97.02953	0.7
99.04521	2.4
103.04024	1.3
106.04205	0.6
109.02986	0.6
113.02432	1.1
121.06599	19.1
123.04532	2.7
123.08129	1.0
125.06094	1.1
137.06088	2.2
139.07684	0.6
145.06564	0.6
149.06143	0.6
151.04022	1.3
164.01202	0.8
167.07162	0.8
173.09726	2.4
179.03462	2.8
215.10706	0.7
223.11273	2.1
241.12355	3.2
245.04602	0.6
259.13379	0.9
303.08801	1.2
315.16040	0.7
348.62650	0.5
365.19806	1.1
383.04672	6.3
383.20807	100.0
385.11569	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	385.057
Annotation	Stictic acid
Peak:m/z	Relative Intensity
51.05426	1.0
51.08316	1.3
56.98217	1.0
63.56992	1.2
70.38293	1.1
109.02957	17.1
123.04517	17.7
130.32286	1.2
147.04514	2.6
149.02415	2.2
151.03975	8.9
161.02364	1.3
162.03183	1.6
177.01936	32.9
187.04013	4.8
189.01956	72.5
190.02754	18.9
191.03534	15.6
201.24751	1.2
203.03514	7.9
215.46022	1.5
216.00681	9.6
217.01442	34.8
218.02180	1.3
219.03018	14.3
226.06329	1.4
227.07111	1.9
231.02940	9.3
233.00900	13.0
233.04518	1.6
234.01880	1.6
260.01904	1.2
260.36139	1.2
265.05234	2.0
267.06631	2.1
281.04633	8.5
282.09012	1.4
297.07666	1.6
323.05518	1.7
341.06769	34.3
341.10486	5.8
375.54810	1.5
385.05643	100.0
385.22156	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	385.0568
Annotation	Stictic acid
Peak:m/z	Relative Intensity
60.31189	1.5
71.15150	1.3
77.73513	1.2
89.30569	1.3
89.58059	1.5
91.12112	1.3
109.02956	15.3
123.04521	12.5
147.04514	3.0
151.04007	11.3
161.02473	1.7
162.03230	2.6
176.01245	1.6
177.01933	32.2
187.03966	2.4
189.01956	74.8
190.02704	18.0
191.03491	16.8
203.03525	7.7
212.95757	1.6
216.00639	10.7
217.01440	33.5
219.02980	13.2
231.02957	8.3
233.00920	15.0
242.46210	1.4
270.84683	1.5
281.04611	5.6
308.76059	1.6
341.06595	30.5
385.05646	100.0
385.22412	2.7
389.47995	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	385.1141
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01374	0.7
71.01398	0.4
87.00870	2.1
93.03479	0.4
112.90749	0.4
121.02969	1.6
135.04529	1.6
149.02438	32.2
151.03961	0.6
152.01161	2.0
163.04008	2.4
164.04797	100.0
169.05078	0.6
179.07144	27.6
191.03526	0.7
193.01399	4.2
208.03784	33.0
223.06123	93.0
265.07159	0.8
385.11328	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	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
68.62559	0.8
70.08388	0.8
73.02959	1.4
74.30998	0.8
78.75657	1.1
95.08220	1.1
135.04445	1.3
149.02432	20.1
151.03979	1.1
151.57271	0.9
152.01167	5.0
163.04002	5.7
164.04802	54.4
169.05101	1.4
174.01714	1.8
179.07152	16.1
193.01456	12.4
208.03773	65.5
223.06126	100.0
385.11276	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	385.1141
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
51.58216	0.8
59.01379	10.4
71.01389	5.3
75.00854	1.8
76.53146	0.9
85.02962	4.8
87.00832	1.1
88.19643	0.9
89.02451	1.8
101.02443	2.1
113.02444	1.2
113.18610	1.1
116.67445	0.9
121.02935	1.3
135.03030	8.7
135.04541	5.2
149.02440	15.3
152.01190	5.3
161.02448	14.5
163.03970	1.9
164.04797	45.9
167.03499	2.3
169.05061	2.0
179.03346	1.2
179.07164	13.9
190.02769	7.4
193.01385	8.8
205.05060	12.8
208.03777	59.3
223.06120	100.0
265.07205	1.7
385.11383	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
60.50982	0.7
63.31187	0.6
64.31535	0.7
70.25955	0.7
71.66567	0.7
74.22753	0.6
78.18173	0.9
79.70333	0.7
80.47554	0.9
81.99409	0.8
85.93934	0.8
92.19400	0.8
104.84750	0.8
119.05031	80.0
119.34766	0.8
119.93324	0.7
161.06125	0.9
163.04015	100.0
178.45041	1.1
325.09320	4.5
385.13940	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	385.1293
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
59.01375	6.7
71.01373	1.9
85.02930	1.2
104.18615	1.0
134.98572	0.8
137.02493	1.6
147.04514	3.1
148.18237	0.8
156.13408	0.8
157.95546	0.8
161.06078	1.1
165.01932	1.5
167.03487	4.4
173.06122	3.8
175.04005	54.4
179.10779	1.2
189.05515	6.6
190.06375	100.0
204.07957	7.4
205.08713	9.0
223.13377	4.8
225.15326	0.8
234.05376	4.8
235.01880	1.0
248.07068	0.9
249.07674	7.5
269.17523	1.6
323.26025	1.4
385.13000	78.6
385.26154	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	385.1506
Annotation	Icariside H1
Peak:m/z	Relative Intensity
57.03453	0.9
59.01383	7.5
71.01386	6.0
72.92780	0.8
73.02950	3.5
83.05038	1.1
85.02968	2.1
89.02476	1.9
99.00867	4.6
101.02419	1.3
109.06590	1.4
111.04521	1.0
113.02448	1.2
113.34788	0.9
122.03715	0.9
122.12610	1.0
124.98791	2.1
129.01912	0.9
129.42807	1.0
135.03030	1.3
137.02464	1.3
142.99854	17.6
153.09218	1.5
154.99863	8.1
165.12859	1.5
173.00925	11.8
174.01637	1.3
179.10695	1.2
181.08755	3.6
183.13884	2.2
189.16045	0.9
201.81444	1.0
205.16002	3.3
208.00461	0.9
211.13402	17.3
211.17036	3.6
221.11752	3.3
221.15393	1.9
223.09851	3.9
223.13422	1.9
225.14993	1.0
227.16689	1.1
231.13777	1.0
235.13393	1.2
237.14961	14.1
239.12927	3.4
239.16496	14.2
246.79045	1.0
247.13429	1.7
249.11357	2.0
249.15044	9.9
251.16548	1.5
255.16148	8.7
259.13547	1.0
265.14465	4.8
267.12360	11.7
267.15872	6.1
277.14441	1.2
311.11401	1.8
313.17395	1.1
355.13968	34.0
385.15094	100.0
385.22382	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	385.151
Annotation	Icariside H1
Peak:m/z	Relative Intensity
51.16844	1.1
54.31712	1.0
55.01880	2.4
57.03455	2.0
58.99467	1.1
59.01099	2.6
59.01386	61.7
61.05354	1.1
66.32199	1.2
71.01385	57.4
73.02938	18.0
74.47410	1.3
75.92161	1.3
83.01396	10.3
85.02950	32.0
87.00894	4.9
89.02450	26.5
89.52289	1.2
95.01379	6.9
95.36135	1.1
97.02969	3.0
99.00886	5.2
99.04589	1.3
101.02441	54.7
105.94748	1.3
111.00872	1.8
113.02454	27.4
119.03502	7.2
123.08165	2.7
125.06078	5.4
128.14624	1.2
138.06859	16.3
139.07686	4.7
151.07646	18.0
152.04878	2.1
152.08427	34.0
153.09215	100.0
159.02992	1.8
161.02452	6.7
161.04559	17.5
163.00372	19.4
165.09145	1.5
167.07138	1.9
175.00334	1.3
179.05589	1.9
179.10782	89.1
190.99873	2.8
201.99086	2.1
202.99925	1.9
205.08780	2.3
205.12341	33.3
209.00970	11.8
223.13400	17.5
253.05107	2.6
281.04602	1.9
307.02573	2.4
325.03696	1.5
341.16064	16.1
343.93698	1.4
353.03104	14.0
367.14154	12.7
371.04623	2.1
385.14999	85.9
385.18915	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	385.187
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01868	2.3
57.03453	1.9
59.01384	100.0
63.95121	1.5
64.28433	1.8
65.88519	1.4
70.89956	1.6
71.01376	34.2
73.02942	9.9
74.92484	1.5
82.74513	1.4
83.01379	3.8
85.02957	17.2
86.20819	1.4
89.02448	16.1
92.19395	1.4
93.30788	1.5
93.96364	1.7
95.01396	2.7
97.02957	1.7
99.00852	3.9
101.02448	20.1
109.26853	1.8
113.02454	13.2
119.03503	2.4
123.04507	19.5
125.02448	3.1
129.95251	1.6
137.02473	3.1
153.05553	35.1
153.09236	2.8
161.04543	6.9
163.11284	15.8
165.01961	2.8
165.09100	2.6
167.03496	2.4
175.07605	2.4
181.12340	38.6
187.11378	5.4
189.12842	3.3
190.09993	6.5
205.08575	2.0
205.12325	8.6
223.09795	2.1
223.13472	2.8
367.11865	2.7
385.14474	3.7
385.22739	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	385.187
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.99293	1.0
57.03440	1.3
59.01104	2.1
59.01383	44.8
61.68124	1.1
64.54883	1.0
71.00997	2.0
71.01380	42.8
73.02948	6.7
73.40777	1.1
76.15744	1.1
83.01381	4.9
83.89286	1.1
85.02949	18.0
89.02442	24.1
95.01376	5.1
97.02927	2.0
97.10342	1.1
99.00877	2.4
101.02454	22.1
102.44102	1.3
102.93272	1.3
113.02441	15.5
113.06066	1.2
119.03493	7.9
123.08150	1.4
125.06066	5.2
128.98320	1.3
138.06821	10.0
139.07642	6.2
143.03488	1.6
151.07643	14.3
152.08421	33.2
153.09210	100.0
159.03053	1.2
161.04567	18.8
165.09166	1.3
167.07288	1.3
179.05562	2.3
179.10745	2.3
205.12337	30.4
223.13385	24.6
286.96466	1.5
314.63263	1.2
385.18723	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	385.2233
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.02530	0.5
59.01383	1.3
75.28111	0.7
91.03996	1.3
126.03292	1.0
167.14401	2.5
167.80255	0.7
184.02646	0.6
207.17490	2.5
223.20645	2.7
249.18585	6.7
267.19659	100.0
273.47247	0.7
275.16510	9.0
293.17615	50.1
311.18515	5.2
330.00427	0.8
367.21225	3.7
385.22299	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93604	1.6
52.46158	1.6
55.07104	1.9
59.01390	22.3
68.45922	1.7
156.14204	2.0
162.14902	1.9
215.85680	1.8
248.81760	2.0
303.23285	100.0
385.23633	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.3
65.00020	6.7
65.18633	5.5
77.33693	5.6
82.68923	5.6
83.44243	7.2
90.15049	7.3
239.71603	7.1
303.23315	100.0
385.23749	45.2
385.33282	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2598
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
51.32693	0.7
55.03539	0.7
58.04083	0.7
59.01382	1.3
71.01395	1.0
71.05013	0.8
91.03990	1.3
126.03233	1.3
139.11356	0.8
157.12276	1.4
165.01952	0.8
167.14368	1.6
169.12268	1.4
185.11838	1.6
207.17581	1.0
215.12827	2.8
223.20584	1.8
249.18610	7.3
267.19656	95.2
275.16632	8.1
287.23798	1.8
293.17603	51.7
305.24744	5.8
311.18625	3.5
323.25937	9.2
339.25427	4.2
341.26971	26.8
349.23721	7.0
367.21323	1.9
367.25015	13.6
385.22110	43.1
385.26025	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	385.2599
Annotation	oscr#25
Peak:m/z	Relative Intensity
50.29007	0.8
59.01368	1.1
71.01421	0.8
77.91430	0.9
82.03432	0.9
85.96037	0.9
98.73431	0.9
121.19482	0.9
137.09435	1.0
168.27057	0.9
249.22244	100.0
255.15991	1.3
267.23276	3.7
293.21243	55.5
311.22305	61.4
321.30240	1.0
385.25977	66.9
393.04996	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74588	0.9
71.24884	0.8
78.16833	0.8
91.15277	1.1
109.18378	1.1
249.22232	100.0
251.14754	1.0
267.23212	2.1
293.21234	52.5
301.96118	1.0
311.22293	58.2
364.71701	1.1
385.21042	2.4
385.25934	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	386.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66267	0.7
51.61594	0.8
59.01384	0.9
61.98833	2.0
71.01382	5.1
72.99306	30.0
81.31695	1.2
108.04549	13.6
118.02993	10.1
119.05017	5.3
120.04527	1.4
120.05333	4.1
134.02505	5.6
144.04561	44.7
150.05603	5.5
162.05611	53.3
163.04051	6.8
164.03348	10.0
164.04704	1.3
178.05222	1.2
188.03543	82.6
191.05609	2.0
192.03894	1.3
206.04633	20.5
207.05057	0.9
224.05673	7.2
225.01817	0.9
238.70735	0.9
386.10974	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50354	0.3
57.03461	3.0
59.01371	0.7
70.13685	0.3
71.01400	0.5
81.03471	0.6
83.01389	1.8
83.68389	0.4
89.02419	0.4
90.55099	0.4
97.02932	1.7
97.67022	0.3
99.00913	0.4
107.86655	0.3
110.14691	0.4
118.01040	0.3
119.05008	0.7
125.02440	100.0
139.03999	1.8
139.75058	0.3
139.97543	0.4
149.02449	10.1
163.03967	0.7
165.01964	0.4
167.03423	0.5
179.03452	0.7
181.05113	0.9
225.04051	6.0
225.07709	2.3
235.22766	0.3
287.07715	4.8
301.14221	0.4
387.08997	3.5
387.17038	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	387.1088
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
80.89183	0.6
85.82822	0.6
85.99078	0.6
87.00882	1.3
92.19489	0.8
93.03474	1.4
99.00888	2.9
106.04221	1.5
107.05057	5.5
109.02951	0.9
115.49232	0.6
117.01929	4.9
119.05013	7.1
121.02965	0.7
124.43805	0.7
131.05034	2.9
133.02924	5.3
134.03752	6.4
135.04530	10.2
147.04507	2.6
151.04016	0.7
159.04558	0.7
161.02454	0.7
162.03230	4.0
163.04037	1.3
175.03958	4.7
176.04762	2.7
177.05574	4.4
183.77373	0.7
204.04265	1.4
221.04568	8.1
282.08969	2.9
283.09708	3.4
310.08499	10.9
311.09259	25.9
339.08762	35.8
348.01709	0.6
351.08847	1.1
387.10867	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	387.1089
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
51.68241	0.5
55.18582	0.4
55.77739	0.4
56.39898	0.4
71.01394	0.5
81.03461	0.7
87.00859	2.0
93.03445	0.9
99.00874	3.1
99.18718	0.5
102.72202	0.4
106.04238	1.9
107.05014	4.6
109.02945	2.0
113.02423	0.5
117.01905	5.7
119.05015	8.1
121.02956	2.1
123.04565	0.6
131.05019	1.1
133.02954	4.2
134.03732	6.9
135.04521	10.2
145.02950	2.0
147.04547	2.1
148.33083	0.5
149.06001	0.6
151.03964	0.6
159.04509	0.8
161.02567	0.6
161.06018	1.1
162.03172	3.4
163.04016	1.9
175.03951	4.0
176.04799	2.0
177.05566	4.8
190.02730	1.0
191.03505	0.7
204.04253	1.0
205.04942	0.6
221.04561	6.2
239.03386	0.6
273.72717	0.5
281.08289	0.7
282.08997	3.4
283.09698	2.2
290.48987	0.5
295.09821	0.6
310.08496	11.6
311.09271	30.0
323.09430	0.8
330.39841	0.5
339.08740	33.0
351.08902	1.9
368.12454	0.5
387.10870	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	387.1089
Annotation	(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Peak:m/z	Relative Intensity
50.55241	1.6
51.43757	1.3
55.56326	1.4
58.55520	1.9
78.12984	2.1
108.87565	1.9
110.63774	1.7
136.01605	2.2
137.06088	16.3
151.03940	2.6
161.02357	1.8
162.03223	100.0
177.05566	85.0
209.04553	78.8
224.84048	1.8
224.86473	2.1
297.99033	1.8
339.27597	1.6
387.10895	57.0
387.15982	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	387.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30887	1.1
59.01102	2.7
59.01386	47.2
71.01385	34.7
72.92253	1.6
82.81778	1.2
84.22995	1.2
85.02959	5.3
89.02441	98.7
94.17425	1.4
95.42927	1.3
98.89317	1.4
101.02443	27.6
106.41293	1.2
107.60106	1.3
113.02455	15.6
118.37481	1.5
119.03479	15.6
135.25018	1.4
141.81760	1.4
161.04559	3.4
179.05624	10.3
207.08766	2.2
207.94559	1.9
297.12012	1.9
341.10907	100.0
355.67490	1.5
375.82617	1.7
376.43777	1.7
387.14999	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	387.13
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
59.01101	1.2
59.01385	20.6
70.68030	0.7
71.01375	11.7
73.02961	1.9
75.89779	0.8
83.01390	3.4
85.02943	4.4
88.61195	0.8
89.02439	11.0
91.29002	0.8
95.01366	1.1
99.00880	1.1
101.02443	11.8
113.02460	3.4
119.03490	2.0
121.67847	0.7
122.03729	1.5
145.35083	1.1
151.07611	2.0
163.07674	7.5
166.06346	3.9
167.07150	1.3
181.08708	41.4
207.06639	7.2
239.05208	0.9
298.07043	0.9
343.14035	6.7
372.10587	4.3
387.12994	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	387.145
Annotation	Flustramine D
Peak:m/z	Relative Intensity
59.54109	0.8
67.92580	0.7
69.54725	0.7
73.66304	0.9
96.57115	0.9
138.96748	1.0
184.92903	0.9
257.08231	1.1
313.10675	10.6
328.13181	100.0
343.15512	4.6
354.10870	1.1
372.12149	8.4
387.14517	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.7
64.50321	1.3
65.86304	1.6
71.01370	2.5
71.27456	1.4
83.01357	2.0
92.20168	2.0
97.02955	4.0
107.01426	1.7
109.02942	29.4
115.00371	18.8
123.04508	13.7
125.02420	18.9
137.02444	11.3
139.04018	3.3
149.02422	9.7
151.04016	14.4
161.06067	9.6
164.01183	2.0
165.01970	7.5
167.03516	2.8
175.02492	35.1
175.03951	4.8
179.03549	12.2
187.04031	7.6
188.04752	3.6
200.17921	1.9
202.06416	2.7
203.07149	24.3
205.05075	25.2
217.08533	1.7
221.08168	7.0
227.07085	3.8
245.08231	29.7
247.05997	3.3
271.06119	2.4
289.07211	84.0
299.12964	4.0
343.11871	15.8
387.14523	100.0
387.23792	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	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05486	1.7
54.82948	1.6
57.03452	2.2
57.42243	1.8
59.01386	17.0
62.09768	1.7
63.56245	1.8
71.01382	4.0
76.91521	2.1
82.72370	2.0
83.01368	3.2
84.04791	2.2
95.05041	2.6
97.02943	4.3
101.02438	3.7
109.02937	23.6
115.88912	2.1
123.04499	12.5
125.02458	17.2
137.02435	12.2
146.03693	2.4
149.02409	4.0
151.03955	17.7
154.11559	1.9
161.06065	7.7
162.03163	2.3
163.11264	3.8
164.01083	3.9
165.01903	3.8
167.03413	2.2
175.04004	3.8
179.03496	8.1
180.38831	2.0
181.12369	27.4
187.03970	8.3
188.04773	8.9
203.07130	28.8
205.05080	28.1
221.08116	8.0
225.11343	40.2
227.07240	2.8
233.08279	2.3
245.08226	38.8
247.06119	4.0
289.07202	88.6
299.12997	3.3
325.23978	2.5
327.14697	3.6
343.12225	14.2
387.14508	100.0
387.23898	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78146	1.2
52.98435	1.4
83.01379	1.9
85.09444	1.3
92.19373	1.4
94.98962	1.3
95.05038	1.7
97.02956	5.6
109.02956	27.9
115.46764	1.2
121.02940	1.5
123.04514	13.4
125.02431	23.5
137.02435	14.7
139.04028	2.7
149.02440	7.9
151.04048	13.4
161.02446	1.5
161.06090	7.7
162.03178	2.5
164.01122	2.3
165.01924	8.2
167.03502	2.4
175.03998	2.0
179.03479	15.2
179.07080	1.7
187.03973	7.0
188.04770	8.2
202.06361	3.2
203.07155	32.8
205.05075	25.4
208.05162	1.3
219.06688	1.7
221.08171	7.1
227.07118	2.5
231.03133	1.4
245.08162	41.0
247.06113	1.8
289.07211	95.6
299.13043	5.4
318.17050	1.4
338.93860	1.5
343.11865	12.5
387.14563	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.61653	1.0
60.45859	0.9
62.67233	1.1
70.89601	1.0
80.12067	1.1
81.03473	1.5
83.01373	2.4
97.02940	6.0
109.02958	25.5
110.94044	1.2
115.00346	6.9
121.02967	1.2
123.04517	15.6
125.02441	23.3
135.04460	1.7
137.02429	12.0
139.03932	4.0
149.02507	8.5
151.03999	13.6
161.06117	8.4
164.01160	1.8
165.01974	5.5
167.03503	1.6
167.95268	1.0
175.02446	4.9
175.03923	2.0
179.03517	9.2
179.07101	2.6
187.03998	7.4
188.04831	6.4
202.06355	2.4
203.07141	22.0
205.05035	18.4
219.06595	1.4
221.08180	5.9
227.07097	2.8
230.05885	1.7
231.02979	2.2
245.08203	38.2
247.06036	4.9
289.07190	94.6
299.09030	1.1
299.12827	2.5
303.95706	1.4
303.99142	1.3
343.11823	12.8
387.14502	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	387.1453
Annotation	Cetirizine
Peak:m/z	Relative Intensity
53.52908	0.8
55.57634	0.9
62.52220	0.8
76.08130	0.9
92.20091	1.2
145.51736	1.0
221.04561	22.3
259.06110	3.8
279.25348	1.0
325.14520	1.5
328.67612	1.0
345.82349	1.0
369.13443	19.6
387.14523	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	387.145
Annotation	Flustramine D
Peak:m/z	Relative Intensity
59.01366	1.4
73.47038	0.8
77.07867	0.9
83.01397	5.8
120.98044	1.0
121.02950	5.3
122.03735	15.6
123.04514	22.5
124.88438	0.9
135.04539	1.2
136.05281	8.4
137.02438	6.5
141.17310	0.8
147.04529	11.9
151.03998	13.3
152.04785	6.8
159.04518	1.7
161.06046	7.2
165.05609	1.0
166.06396	2.0
171.10313	1.6
175.07607	1.1
177.05563	1.5
191.03531	1.6
191.07089	1.0
205.05040	5.2
221.04605	1.0
234.05258	1.5
239.09317	1.6
313.10910	7.1
327.21729	2.2
328.13211	1.0
329.10330	1.2
343.15500	1.4
357.09723	23.8
372.12164	10.4
387.14542	100.0
387.23965	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23446	1.8
54.36895	1.6
54.96863	2.2
59.01379	4.9
69.23375	1.7
71.01388	8.6
73.40245	1.7
74.19707	2.0
75.55688	1.9
83.19428	1.9
87.00864	11.2
97.02946	3.3
109.02956	20.8
115.00362	67.2
123.04498	9.4
125.02462	14.7
137.02429	8.0
139.00397	4.9
139.04024	2.8
141.77496	1.8
151.03964	9.3
157.01413	8.6
161.06139	2.9
165.01892	4.2
167.03404	2.4
170.75272	2.0
175.02466	100.0
175.03972	3.4
179.03513	8.3
187.03973	3.0
202.06310	2.2
203.07106	19.8
205.05013	14.5
205.13100	2.2
211.13448	3.6
221.08194	3.3
225.14912	2.4
241.14502	9.2
245.08153	30.3
253.14639	2.3
261.14868	3.7
269.13983	4.1
287.14886	3.3
289.07239	49.1
299.12875	2.2
307.15631	3.9
327.14410	3.9
343.11844	4.1
387.14340	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01385	100.0
62.40033	1.2
67.49899	1.2
71.01367	10.7
74.50491	1.3
83.01358	1.7
84.35846	1.3
85.02930	3.0
89.02441	3.2
100.27480	1.3
101.02422	7.2
102.44451	1.5
113.02431	1.7
125.02419	6.9
137.02429	1.9
148.18217	1.3
161.04518	11.4
165.09196	35.0
165.60548	1.5
167.03496	5.6
173.67192	1.5
183.59227	1.5
209.04543	5.1
225.11261	3.3
327.14532	5.5
375.43515	1.6
380.56882	1.6
387.12589	2.4
387.16705	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.28850	1.0
59.01382	6.0
61.10961	1.0
61.84045	1.1
64.27491	1.2
71.01389	5.1
88.11920	1.1
89.02437	5.8
95.05016	2.7
99.04538	1.7
99.45242	1.2
101.02372	1.0
108.14335	1.1
113.02413	5.0
142.41544	1.0
143.57143	1.1
163.11264	19.5
181.12361	36.9
207.10321	2.6
225.11331	100.0
249.11273	2.7
273.71359	1.2
364.06900	1.4
383.66418	1.2
387.16727	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26025	1.1
59.01387	28.3
62.53841	0.9
71.01380	9.9
73.02941	1.9
78.95907	1.3
83.01386	1.4
85.02953	1.6
89.02426	2.1
93.37672	1.1
96.96966	6.2
100.35400	1.0
101.02448	5.4
108.02148	1.1
113.02419	4.3
121.02950	100.0
135.04509	8.7
149.06113	1.4
161.03436	1.5
161.04582	18.5
164.04781	1.4
164.08426	74.5
165.09186	35.0
179.07175	1.3
180.81909	1.2
193.33984	1.2
225.07678	1.7
327.14514	18.5
387.12939	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	387.1667
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.14627	1.4
55.17099	1.4
59.01380	25.4
59.87668	1.3
61.98829	6.9
71.01402	3.4
73.02941	8.8
82.25198	1.5
85.02962	1.7
87.04544	2.1
95.05022	3.4
101.02431	8.8
123.08231	2.0
137.06070	2.5
163.11282	22.4
165.12817	3.6
167.14314	2.1
181.12346	98.1
185.11836	3.5
195.13918	12.2
207.10320	6.3
216.44417	1.6
223.13356	8.3
225.11317	100.0
227.06844	2.5
248.54807	1.8
261.05396	2.8
267.12311	17.1
269.17642	1.9
297.13385	8.3
316.22015	2.9
327.14532	29.7
327.21747	20.2
368.74249	2.0
387.17273	13.2
387.23773	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1819
Annotation	Isodoacetal
Peak:m/z	Relative Intensity
67.54621	0.8
75.73767	0.8
76.68855	1.0
114.76367	1.0
133.59508	0.9
151.67166	0.9
170.16292	1.1
188.26413	1.0
231.10316	6.8
291.43222	1.1
313.14569	2.4
315.19141	1.5
328.16907	14.4
329.17609	75.9
343.19168	7.5
355.15424	3.4
387.18176	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	387.2028
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
51.86927	0.9
53.47198	1.0
54.65394	1.0
57.56984	1.0
59.01385	100.0
68.49257	1.0
68.87200	1.0
70.85586	1.1
71.00994	2.0
71.01380	44.2
73.02959	1.4
83.01395	1.5
85.02959	8.8
87.45119	1.3
89.02440	62.4
89.02990	2.2
90.41058	1.4
95.01398	2.5
101.02439	28.0
107.14025	1.1
113.02451	22.1
119.03488	21.5
124.28127	1.1
143.03510	2.1
149.04546	2.1
161.04573	5.4
179.05634	10.9
196.32835	1.2
219.68089	1.1
387.20193	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	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07824	1.5
51.24149	1.8
55.01879	3.0
58.40377	1.9
59.01386	32.1
62.73425	1.6
68.88113	1.7
71.01384	36.7
73.02944	20.3
83.01394	9.5
85.02947	22.8
87.04504	9.7
89.02442	7.5
95.01350	2.2
99.21404	1.8
101.02444	32.7
109.02966	3.8
113.02424	20.1
123.04494	3.1
125.02440	2.2
137.02423	2.1
151.04030	2.4
161.04568	4.5
165.01958	2.8
165.47940	1.9
179.03462	2.3
203.03574	1.9
203.07144	4.0
205.05040	2.7
211.69307	2.1
245.08185	8.5
269.17676	3.8
289.07187	19.0
343.11902	3.9
343.21194	7.2
378.70639	1.9
387.14600	24.1
387.20206	100.0
387.24625	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	387.2027
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
54.28198	1.6
59.01384	93.5
60.11528	1.8
60.26600	1.5
60.41048	1.5
62.34704	1.7
62.75522	1.7
71.01382	59.3
71.89597	1.8
73.02941	8.1
83.01383	3.3
85.02943	19.0
86.63558	1.8
89.02442	54.0
95.01414	2.3
101.02444	50.2
105.14398	1.9
113.02452	25.4
119.03458	14.0
135.83842	1.7
143.03526	2.4
152.08423	7.2
161.04578	8.6
167.64590	1.8
179.02950	2.3
179.05611	9.0
204.14233	1.9
211.16032	2.1
225.15024	8.1
250.99088	2.1
387.20288	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51205	59.7
59.01345	77.2
68.71610	73.8
87.25185	75.2
88.89227	68.2
91.86396	70.3
99.08655	100.0
140.83362	71.5
148.04742	72.0
153.26976	88.9
162.40787	76.0
234.71863	73.4
283.25644	89.7
360.56677	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66531	72.3
59.01402	73.6
76.27180	70.6
86.88844	71.2
89.30686	86.5
99.97717	85.2
106.24142	74.2
140.89050	86.0
141.01767	100.0
186.77371	87.1
196.63448	67.7
213.54417	75.7
255.15813	80.3
269.57010	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34893	1.2
59.01141	1.4
59.01390	22.0
70.90959	1.1
83.04992	1.3
83.39014	1.4
106.44425	1.2
126.56853	1.2
145.27368	1.2
168.44209	1.4
305.24860	100.0
333.85425	1.5
336.59106	1.4
387.25174	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2532
Annotation	(ent-13E,14E)-15,16-Diacetoxy-7,13(16),14-labdatriene
Peak:m/z	Relative Intensity
52.21104	0.6
56.19410	0.7
59.01387	8.3
67.49358	0.8
75.88102	0.7
81.03458	7.7
83.01383	1.0
95.35615	0.7
110.71210	0.7
121.37267	0.8
122.03709	2.6
125.02451	5.2
151.00377	1.8
227.92326	0.8
295.06863	0.9
301.25415	1.3
303.23285	4.9
305.24893	46.4
343.26422	44.1
387.25378	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	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62505	1.1
56.59583	1.3
63.52292	1.2
85.76200	1.3
95.66595	1.4
99.33820	1.5
251.23801	100.0
269.24789	2.3
290.52362	1.5
295.22781	58.6
313.23880	63.8
387.27429	66.3
387.31915	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	387.2754
Annotation	oscr#26
Peak:m/z	Relative Intensity
136.13869	1.2
187.16525	1.1
187.37552	1.2
198.98570	1.5
251.23802	100.0
269.24942	1.4
295.22772	51.8
313.23856	61.3
387.27496	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32162	1.3
59.01385	100.0
59.01685	3.2
59.48813	1.4
66.65609	1.2
150.54675	1.5
248.06995	1.7
253.21724	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20696	2.8
51.22989	3.4
55.92999	3.0
59.01384	100.0
61.04738	3.0
65.59438	3.7
68.41573	3.0
72.61389	3.4
83.79097	3.1
87.63511	3.4
103.86802	3.1
109.96695	3.6
136.58043	4.3
194.58218	3.1
253.21812	6.3
321.81314	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	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57277	0.5
61.98835	100.0
71.01402	0.6
71.41221	0.5
72.99320	1.2
115.18803	0.6
145.02956	0.9
163.07664	0.7
164.07948	0.9
181.08257	1.1
200.01535	0.8
204.66426	0.7
273.56906	0.6
372.52792	0.7
388.13266	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	388.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98829	0.2
71.01379	0.6
78.03491	1.8
85.02988	0.3
89.02473	1.0
121.05044	1.0
122.02477	100.0
123.04516	1.2
124.04819	0.4
128.03552	0.3
132.82841	0.3
136.04042	2.7
138.00092	0.3
153.05605	2.6
154.05923	1.6
163.04013	0.5
164.01761	1.7
164.04463	0.6
176.75499	0.3
181.05081	1.7
182.02908	0.4
182.05426	1.8
256.69257	0.3
316.11343	0.5
358.54059	0.3
388.08978	0.5
388.13470	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	388.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20327	1.4
57.03464	1.5
57.64753	1.2
59.01384	95.5
60.01716	15.6
68.96159	1.4
71.01384	58.6
72.01714	13.4
72.22478	1.4
73.02943	8.3
83.01379	6.9
84.01715	2.7
85.02943	18.4
89.02442	56.9
90.02773	7.5
95.01373	5.3
99.00908	2.2
101.02444	42.5
102.02804	10.7
113.02441	22.6
114.02769	9.2
119.03489	11.6
120.03812	5.2
121.58498	1.8
124.20107	1.5
152.08450	1.7
153.08853	1.8
161.04543	8.7
162.04897	6.2
179.05637	3.5
180.06026	1.6
196.14188	1.5
225.15129	1.8
226.15363	6.2
298.20721	1.7
328.85226	1.8
388.20639	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	389.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.7
59.01386	45.8
59.01684	1.5
62.87515	0.8
71.01380	25.2
73.02944	13.3
74.16692	0.8
79.73963	0.8
83.01379	1.7
85.02961	10.7
87.00851	1.5
89.02437	19.8
92.19495	1.1
95.01378	1.9
99.00903	0.9
101.02444	22.2
102.43855	0.8
108.04551	3.5
113.02454	12.2
119.03487	6.3
120.56854	0.8
121.05347	1.5
122.06108	17.7
123.04512	0.9
126.74277	0.8
132.04532	1.2
133.01387	1.1
134.06122	8.7
136.07681	1.3
139.07298	1.0
147.11784	17.9
151.04013	0.9
161.04521	5.6
163.98108	1.0
172.05493	0.9
176.03517	3.5
179.05630	1.7
209.11929	7.6
213.10239	1.0
214.12430	17.9
227.08272	10.1
228.09030	1.9
229.13480	1.5
230.11847	3.4
242.10495	4.1
257.12964	100.0
298.08450	4.7
301.11868	12.5
313.10760	0.9
327.09708	1.4
345.10748	9.5
383.27786	1.0
389.09705	5.1
389.12674	4.7
389.18097	59.3
389.22052	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Monotropein
Peak:m/z	Relative Intensity
59.01386	1.3
60.21139	0.7
84.84663	0.8
92.19438	1.5
97.94244	0.8
99.60771	0.8
124.01659	13.4
135.04565	1.0
137.02440	5.3
150.03256	1.2
165.05551	9.9
180.71791	0.9
181.05045	2.1
182.05844	9.8
183.05084	1.4
183.06644	36.3
183.08261	1.4
195.03001	3.9
208.03757	23.4
209.04552	4.7
226.04837	68.7
227.05656	10.7
281.75815	0.9
318.07101	1.0
340.91504	1.0
371.09875	6.7
371.45422	0.8
377.70572	1.0
389.10974	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	389.1246
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
51.90125	4.2
57.14065	5.1
59.26016	4.8
59.73878	5.1
60.01603	5.6
69.02132	5.6
109.02978	8.9
124.01603	6.5
130.90015	5.5
134.03726	7.0
137.02402	7.9
138.03224	6.9
139.04024	6.5
148.05280	12.4
151.04007	10.0
155.93933	7.7
160.05313	21.8
163.07629	8.0
165.05582	12.5
173.68236	5.4
180.29202	6.1
182.13246	5.9
219.06512	7.3
237.15546	5.1
246.53624	6.6
297.07507	8.0
371.11615	10.2
379.40161	6.9
389.04819	8.3
389.08661	6.6
389.12503	100.0
410.72406	5.5
412.61884	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	389.1245
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
59.01383	4.1
60.01247	1.0
60.46970	1.0
62.13425	0.8
86.11241	1.0
91.01858	1.6
92.19413	1.2
108.02145	1.8
109.02966	1.1
123.04508	7.5
158.03705	7.4
173.02489	2.5
173.06052	9.6
174.03145	2.1
175.04012	1.6
189.05611	6.8
190.43161	1.1
199.37360	1.2
201.05499	1.6
202.57533	1.1
203.03511	12.7
246.63525	1.0
267.06668	1.6
269.08151	4.6
278.26569	1.1
279.06665	5.1
281.08237	1.3
282.09143	7.9
283.06274	1.9
284.10495	1.5
293.08313	2.2
294.08963	1.7
295.06058	2.4
297.07883	3.5
298.08499	46.6
310.08536	4.2
313.10867	26.7
315.08719	1.5
326.07999	5.8
341.10260	4.3
389.12473	100.0
389.17545	3.7
411.99783	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	389.1245
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
50.08265	0.4
59.01386	12.8
69.06745	0.5
71.01393	6.2
73.02951	1.0
83.47800	0.5
85.02932	4.8
89.02456	5.5
99.92589	0.7
101.02434	3.1
108.02177	2.2
109.02961	5.3
113.02429	2.5
116.92832	1.1
119.03471	2.3
120.87325	0.6
123.04512	1.1
124.01636	12.0
125.02423	2.5
131.67603	0.5
135.04526	1.0
136.01671	4.9
137.02448	5.6
138.03226	3.7
139.04016	15.1
145.02863	0.8
146.03694	0.6
147.04492	2.4
148.05307	18.4
150.03203	1.3
151.03990	9.5
152.04799	1.0
153.05562	1.2
159.04518	3.5
160.05290	24.7
161.04810	0.6
161.06076	5.9
162.03177	1.0
162.06853	0.7
163.04031	1.2
163.07637	15.4
171.04619	1.0
172.05327	6.1
173.06070	6.9
175.04019	2.7
175.07666	2.5
176.04744	4.8
177.05569	4.1
177.85397	0.7
178.06398	3.3
187.04080	1.2
187.07596	1.3
188.04680	0.9
189.05623	3.4
191.07158	1.1
202.06349	0.8
203.03484	4.9
204.04297	20.2
205.05162	2.4
207.06622	5.7
217.05049	3.8
218.05881	2.7
219.06631	16.7
220.03853	1.2
221.04597	2.3
225.39691	0.6
231.06593	7.3
233.04533	1.1
237.07672	2.6
246.73894	0.6
260.51367	0.6
279.06711	2.6
297.07687	9.5
300.10162	0.7
311.09277	9.2
312.10031	9.4
315.12524	1.1
327.12393	11.2
345.13507	2.1
356.08798	0.7
371.11365	14.0
389.12469	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	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17957	3.7
57.03433	3.9
59.01384	92.0
60.46490	4.4
70.07737	5.1
71.01385	48.7
85.02919	5.5
89.02445	89.7
113.02464	7.5
131.03462	5.5
149.04547	19.4
164.04794	36.4
168.08121	4.9
179.07149	78.6
197.08195	6.2
207.82329	5.8
225.37323	5.5
315.86810	5.0
329.12424	100.0
414.99118	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62892	1.8
54.69233	2.1
58.14741	2.4
59.01104	4.6
59.01382	100.0
71.01387	34.5
79.59612	2.7
85.02942	2.8
89.02432	44.9
89.18339	2.3
101.02447	22.8
113.02444	16.9
119.03484	17.5
125.02424	2.9
131.02559	2.7
134.03690	4.0
149.06123	18.9
153.05630	3.2
154.58099	2.5
167.07065	3.8
179.05598	3.1
179.81970	2.6
183.06615	5.4
196.03784	3.2
202.41444	2.5
226.04814	17.7
265.26459	3.2
328.60791	2.6
329.12473	52.0
389.10678	17.2
389.15094	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	389.1455
Annotation	Glu-Gly-Trp
Peak:m/z	Relative Intensity
55.01891	1.8
59.01100	3.1
59.01383	64.8
71.01379	33.3
73.02931	12.0
78.86636	1.6
83.01389	7.1
85.02954	19.4
89.02443	14.7
101.02432	39.7
113.02411	17.4
123.04481	1.8
139.56313	1.7
152.04684	2.2
161.04599	4.0
167.07135	2.5
289.50723	1.8
292.92947	2.0
329.16031	2.9
345.15604	17.5
389.14563	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	389.1454
Annotation	Reptoside
Peak:m/z	Relative Intensity
59.01385	100.0
62.47324	0.8
71.01380	9.6
85.02937	2.2
89.02448	6.9
90.10555	0.9
92.19452	2.4
93.67010	1.0
98.44168	1.0
101.02435	5.2
111.59322	1.2
113.02457	1.8
118.22922	1.0
132.82428	1.0
145.85535	1.2
152.04781	18.7
161.04584	8.0
167.07141	39.3
179.07141	2.0
179.52347	1.2
194.05807	2.1
196.65279	1.0
209.08151	1.1
329.12448	4.4
389.14697	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	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69937	0.5
59.01381	3.2
73.73804	0.6
92.19507	0.8
115.32044	0.7
119.00970	0.6
122.78416	0.6
162.28333	0.7
215.07143	1.5
216.07916	2.6
231.10277	0.8
257.08154	1.5
257.11765	0.8
257.83972	0.7
259.13107	0.8
273.37042	0.6
296.10617	4.4
301.14496	7.2
311.12961	26.1
311.16492	1.2
313.10855	1.0
327.12286	0.8
329.13974	100.0
345.13312	3.0
345.17032	3.9
357.13419	10.1
389.12238	3.1
389.16177	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
51.31760	0.9
53.28923	1.0
55.22111	1.1
59.01386	100.0
60.39149	1.1
61.84101	1.0
63.32400	1.1
65.06222	1.2
66.08582	1.1
68.23895	1.1
68.82318	1.3
71.01383	51.8
73.02933	2.9
83.01388	4.9
85.02958	9.1
88.23690	1.4
89.02444	65.3
94.22402	1.2
95.01387	2.7
101.02446	31.7
113.02435	23.8
116.92865	2.3
119.03493	21.9
131.03445	2.3
143.03493	4.7
147.19281	1.2
149.04550	1.4
158.67632	1.4
161.04558	2.6
166.75569	1.1
179.05595	14.0
183.56766	1.3
227.07214	6.0
227.97324	1.8
263.12198	1.4
389.17966	7.2
389.22360	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11325	69.5
59.01390	100.0
71.45870	78.2
74.21926	83.8
87.03915	90.0
112.47186	90.3
128.49651	91.2
372.85480	97.0
408.53241	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35079	72.8
85.95085	79.0
86.03686	64.9
97.97354	79.5
171.96289	83.1
219.15918	100.0
261.77295	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54101	1.3
51.75508	1.1
58.33429	1.3
59.01391	20.4
62.39538	1.4
69.86158	1.5
92.20086	3.3
134.03743	1.6
169.12366	2.1
185.11861	2.3
211.99944	1.3
215.12775	1.4
311.22269	5.9
327.22006	3.5
327.25479	14.3
329.23340	100.0
345.13309	2.2
371.16251	1.5
389.12076	10.9
389.25525	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	79.8
59.01686	2.9
67.49570	1.5
75.62853	1.4
78.05725	1.3
85.02950	16.7
86.69830	1.3
99.08154	9.2
185.11850	10.1
203.12917	100.0
204.48100	1.4
271.09598	1.4
309.19867	1.3
389.25232	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	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53968	3.7
53.28490	3.9
59.00669	3.8
59.01381	100.0
82.72086	4.4
108.00454	4.6
115.68320	5.2
128.01291	4.8
161.21883	4.2
167.35190	4.7
183.65550	4.2
355.51526	4.9
378.91690	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	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74261	1.7
54.03103	1.4
59.01387	100.0
59.41309	1.4
61.31902	1.4
69.83925	1.5
94.72863	1.6
100.62270	1.9
109.74522	1.6
276.06464	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	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.30826	1.2
59.38910	1.1
62.81199	1.3
67.81026	1.0
72.44753	1.0
82.00491	1.0
89.91164	1.2
216.64612	1.1
368.42532	1.2
389.26501	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	390.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06106	1.5
56.50063	1.3
58.02979	3.6
60.54377	1.7
60.88558	1.5
65.03407	1.5
74.02467	25.4
86.02485	8.5
87.00860	1.8
88.00403	4.0
88.67651	1.8
99.05615	15.1
112.04015	2.5
125.03536	1.8
127.05096	3.7
128.03539	51.0
135.05626	6.9
137.97583	1.6
141.06670	6.1
143.04614	100.0
145.06195	7.2
146.04573	10.0
153.06712	2.5
155.08299	2.1
160.00745	18.2
166.09795	2.1
167.04700	7.1
177.03426	3.2
179.04617	18.2
181.06238	2.8
206.03941	1.8
210.08772	12.5
218.55180	1.7
229.95920	2.1
230.09065	1.8
242.07869	1.7
254.07814	13.7
272.08875	20.4
288.06525	8.1
306.07657	95.5
306.11197	3.4
321.06311	5.9
390.13406	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2289
Annotation	N-Oxytuberostemonine
Peak:m/z	Relative Intensity
56.04165	0.5
57.03432	0.7
57.34224	0.6
58.82403	0.5
81.03458	8.1
83.01376	0.7
83.05016	1.1
86.73036	0.5
108.41241	0.5
113.06450	0.7
122.03718	1.0
125.02418	12.7
127.19850	0.6
151.00276	0.8
164.67790	0.7
210.38071	0.7
227.78256	0.6
247.53113	0.6
252.46770	0.6
264.19690	2.9
304.22849	6.0
306.20740	3.2
325.54257	0.7
328.23026	1.0
346.23950	11.9
363.26550	1.2
390.22897	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	391.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.6
61.61580	1.0
61.98829	3.8
70.94019	0.9
71.01394	6.8
72.52831	0.8
73.02944	2.1
83.01366	1.8
84.90501	1.0
85.02953	5.1
87.00875	1.2
89.02415	1.8
101.02422	6.5
113.02419	3.6
118.49293	0.9
123.04503	1.7
125.02399	2.2
132.89336	1.1
133.02972	4.0
135.04521	26.9
149.27213	1.2
155.10887	1.1
161.02441	100.0
179.03481	20.8
193.07159	1.5
211.09734	1.3
257.06668	1.9
259.09854	1.8
263.74832	0.9
271.08313	5.6
273.14893	1.0
355.10361	81.8
357.70004	1.0
391.11331	2.2
391.16107	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90224	1.2
59.01377	1.4
59.45423	1.2
71.60559	1.4
78.95918	3.1
86.54483	1.4
89.02483	2.4
89.05302	1.5
96.96962	12.4
101.02452	1.5
111.09428	1.3
242.28743	1.3
255.05270	1.7
307.78976	1.3
352.07794	1.3
355.12473	7.6
387.06647	1.6
391.10428	100.0
394.40558	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	391.1025
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
71.01372	0.2
89.02437	0.3
93.03447	0.3
101.02438	0.3
111.00871	1.6
111.04562	0.6
161.04500	0.4
166.97519	1.6
173.04559	0.6
191.05705	0.3
199.04178	0.4
210.96495	2.6
217.05289	2.9
311.79788	0.2
355.12537	1.9
391.10547	100.0
399.93484	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	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86792	0.3
53.46074	0.3
59.01383	3.8
65.00331	1.9
68.20551	0.3
83.01385	2.2
83.75523	0.4
93.22905	0.3
97.43275	0.4
101.02441	0.4
107.01391	1.5
119.04993	1.7
121.02957	2.1
125.02455	0.5
143.05029	0.9
145.02953	3.8
149.02344	0.4
151.00369	14.6
161.06100	2.7
185.06053	9.2
187.03847	0.4
225.05620	0.6
229.05054	100.0
253.05127	0.8
271.06183	0.6
315.68640	0.4
391.10373	14.1
391.15094	0.7
391.19092	1.2
405.80020	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	391.1037
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
50.63610	0.8
51.62674	0.7
52.27517	0.6
53.86680	0.6
54.81576	0.8
59.01384	5.2
64.87816	0.8
71.01380	1.0
73.02951	1.0
78.61852	0.8
81.03445	3.5
83.01397	2.9
97.02921	4.2
107.01382	1.8
113.02412	1.0
115.48173	0.8
119.05003	3.6
121.02932	7.9
125.02440	22.4
137.02434	0.9
140.15408	0.8
141.70731	0.9
143.05011	5.1
145.02956	7.4
149.02457	1.4
151.00339	3.3
155.08653	1.1
157.06583	1.6
161.06038	3.5
165.01929	4.0
167.03613	0.8
183.08148	1.6
184.05235	2.0
185.06070	9.8
187.03989	1.7
193.01396	5.2
197.81892	1.0
199.07651	10.9
201.05548	1.5
203.07098	4.1
225.05759	0.8
227.07172	8.9
229.05064	26.4
241.05006	11.1
243.06580	6.0
255.06583	3.9
271.06122	100.0
283.06049	4.3
301.07190	27.1
305.82935	1.0
313.07339	1.1
373.09244	1.2
391.10123	15.7
391.19443	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	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11160	0.9
59.01392	7.4
71.01369	1.1
81.01599	0.9
87.41222	1.0
89.02444	6.1
97.21335	0.9
97.54840	1.0
99.05631	1.4
108.02171	21.0
121.02987	1.6
122.03720	4.8
123.04517	74.0
128.03558	4.2
129.03867	1.6
132.27071	1.1
133.02983	1.2
136.01649	4.6
143.04558	8.1
144.04970	4.3
149.02448	24.7
150.03224	93.0
151.04056	1.9
152.01173	4.4
153.05571	1.2
164.04834	11.5
165.05559	100.0
167.03468	4.9
180.04286	8.7
195.03000	27.6
195.06616	27.8
231.08766	1.5
256.07452	18.2
271.09711	10.6
304.84750	1.1
306.07648	2.2
307.07867	11.3
346.47638	0.9
372.68817	1.1
391.10156	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1022
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
59.01391	0.5
61.18334	0.6
73.22672	0.5
91.00464	0.6
92.19450	1.0
92.68184	0.5
93.03457	0.7
106.31605	0.6
111.00862	2.3
139.27536	0.6
146.26675	0.5
146.80775	0.5
156.85071	0.5
173.04485	0.6
191.05576	0.5
199.04163	0.5
217.05261	2.3
355.12494	3.7
391.10547	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	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70192	1.1
56.28041	1.1
56.88555	1.0
57.40166	1.0
59.01385	30.7
71.01379	2.1
74.45172	1.2
85.95158	1.2
89.02458	1.2
92.20046	1.5
101.02425	1.8
110.13332	1.4
121.02917	4.5
122.03751	1.8
136.01672	1.6
137.02463	1.7
138.03256	1.4
149.02452	1.8
149.06125	7.7
150.03304	1.8
151.00385	9.5
162.03285	6.0
165.05556	1.8
174.03313	2.0
176.01117	2.1
177.01961	6.4
177.05597	6.4
179.03548	1.5
179.07173	5.1
180.04340	12.3
185.06119	7.5
192.04324	14.7
193.05081	9.1
194.05756	2.0
195.03168	1.8
207.06697	6.5
209.04550	1.4
210.05307	10.1
212.03374	8.1
222.05511	4.4
223.06230	8.7
229.05040	58.4
229.07260	2.4
242.04378	2.1
257.88507	1.3
282.08908	1.6
285.11545	2.1
289.10928	7.6
298.08597	7.3
310.08475	9.0
313.07520	1.3
313.10916	9.7
325.10953	7.1
328.09802	2.7
331.11871	6.7
331.17923	2.1
343.11948	10.5
361.12961	31.4
391.10291	4.6
391.14191	100.0
391.19797	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	391.1402
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
50.77396	1.0
59.01136	1.5
59.01384	22.0
66.78255	1.1
71.01368	5.5
71.31226	1.1
73.02939	10.3
78.36656	1.1
79.68225	1.3
83.01369	1.4
85.02935	2.2
87.00869	9.2
89.02444	1.5
97.71051	1.1
99.00886	6.0
99.41863	1.1
101.02435	4.8
113.02415	2.5
117.01936	9.8
122.03732	6.0
125.02401	2.5
134.03688	1.1
135.04526	2.0
136.05315	5.7
137.06075	1.4
148.05322	1.7
150.03270	1.3
155.10796	1.9
162.03236	9.6
165.05618	1.4
171.52142	1.1
176.04846	2.0
177.05569	20.0
179.07133	5.2
189.12943	2.0
191.07121	5.2
192.04282	18.7
207.06642	55.0
211.17068	1.3
223.06093	4.6
229.14430	2.9
300.10114	5.4
315.12421	8.0
328.09796	3.8
331.17599	1.6
343.11893	4.2
347.15054	1.2
361.25980	5.6
373.26132	2.0
391.13980	100.0
391.19650	24.1
391.27008	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1402
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
57.93501	1.1
59.01383	34.1
59.09836	1.1
64.12163	1.0
64.40135	1.3
71.01379	2.6
76.15316	1.1
78.62655	1.3
84.07680	1.2
87.00878	8.0
92.19296	1.2
99.00874	5.8
101.02468	2.3
113.02477	2.3
114.90920	1.3
117.01927	7.0
122.03755	6.1
135.04469	1.6
136.05316	2.2
137.06070	2.4
149.02478	1.7
161.04543	1.7
162.03252	9.7
164.04686	1.3
176.04805	2.4
177.05563	19.0
179.07111	3.1
191.07178	6.1
192.04323	17.7
198.17194	1.3
207.06636	54.1
234.37794	1.1
300.10025	7.4
315.12393	16.4
328.09412	2.5
331.17706	9.0
343.11911	5.8
391.14035	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	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93665	2.5
51.62638	2.5
52.47612	2.7
59.01384	4.9
63.39751	2.6
91.94729	3.2
107.05067	3.7
121.02915	4.0
123.04501	3.2
127.35469	3.3
134.03717	6.4
135.04538	14.1
138.03204	3.4
146.03743	34.8
146.04742	4.4
146.38683	2.9
149.02441	4.3
149.06128	6.5
150.03212	18.7
151.04071	3.7
161.06036	21.2
162.03113	5.4
163.03995	32.2
164.04779	32.4
165.01936	3.9
165.05556	56.8
167.03491	40.7
168.04280	6.4
177.01920	4.4
177.05602	5.6
179.05652	3.4
179.07127	100.0
180.04257	6.5
181.05113	28.5
183.06618	16.4
184.57021	2.9
193.05176	4.3
197.04530	5.8
198.05324	19.2
211.06010	22.7
212.06915	12.9
213.07693	26.7
280.07474	2.9
313.10800	3.9
329.06445	3.2
343.11774	4.6
346.10886	3.7
347.14853	5.5
361.12894	17.1
371.80765	2.8
373.13196	3.3
391.06497	3.9
391.14017	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1405
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
56.31858	10.6
59.01389	13.7
73.99515	12.8
90.27525	10.6
98.83297	12.2
118.10149	10.6
123.04499	13.4
150.03207	81.9
151.04033	26.5
165.05533	100.0
195.06621	47.5
259.13440	13.0
343.11887	14.0
369.10928	10.0
379.41467	11.1
391.13910	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03449	1.6
59.01104	2.0
59.01387	48.1
61.02277	1.1
62.50819	1.1
67.35658	1.0
71.01383	26.8
73.02950	18.9
76.43501	1.1
77.60477	1.1
79.05605	1.0
83.01399	11.2
85.02953	19.4
89.02425	5.6
95.01377	2.1
97.99220	1.2
99.00881	5.9
101.02444	37.3
110.97746	1.1
113.02457	17.1
134.25694	1.2
155.00119	1.8
185.06061	17.6
260.42194	1.3
294.79657	1.2
321.67380	1.2
331.17612	4.9
333.66992	1.3
347.17123	38.9
386.25519	1.3
391.11014	4.6
391.16107	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	391.1765
Annotation	CHEBI:65834
Peak:m/z	Relative Intensity
50.50800	1.2
55.66159	1.4
59.01377	7.4
64.43219	1.5
68.56636	1.4
71.05004	3.1
81.03463	3.3
83.01404	1.7
85.02953	8.4
93.03461	2.9
94.98792	1.6
97.02940	8.8
98.75116	1.8
99.04510	7.8
100.58248	1.6
101.02435	3.6
105.10828	1.5
107.05045	2.0
111.04519	8.8
121.06608	1.9
123.04502	3.9
125.06116	2.5
135.04515	5.9
135.08147	2.2
137.06068	9.9
139.04054	1.8
149.06114	2.9
151.04022	2.0
151.07625	7.4
153.05576	2.7
154.06610	1.5
163.07741	2.2
165.05620	3.6
165.09215	2.5
166.98285	1.5
175.04022	1.6
179.05766	1.8
179.07097	15.9
190.06335	2.1
191.07184	2.8
193.08673	7.5
219.10280	7.3
229.12364	2.0
273.11346	1.9
311.81754	1.8
328.75427	1.7
341.43207	1.8
391.04715	14.5
391.17657	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71806	0.9
55.07584	1.1
59.01386	100.0
59.23121	1.2
64.27719	1.1
66.70492	1.4
71.01378	7.5
73.02954	2.2
77.14917	1.2
85.02957	5.5
89.02444	1.5
94.22217	1.2
99.00880	1.8
101.02453	9.8
102.48380	1.3
112.94589	1.2
113.02449	5.3
128.63344	1.5
151.03940	1.8
161.04593	1.9
173.23573	1.2
178.57069	1.4
331.17700	22.7
391.15930	7.2
391.19916	6.0
407.23462	1.3
409.09402	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.37558	0.7
70.44811	0.6
71.01387	3.5
73.02953	1.3
80.74571	0.7
81.16043	0.8
85.02908	0.8
89.02444	3.3
92.20130	0.8
101.02439	3.2
103.73148	0.7
105.46955	0.8
113.02447	1.8
119.03484	1.1
123.04520	1.4
150.03232	1.2
179.05591	0.9
209.04575	1.8
216.88914	1.0
221.52945	0.8
331.17557	5.9
359.07681	5.1
391.10440	1.3
391.15503	1.3
391.19788	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	391.213
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
53.76011	0.6
59.01371	1.4
71.01366	0.8
71.07193	0.6
92.19403	0.6
121.03032	0.7
135.04515	3.7
147.04459	1.0
158.55104	0.7
159.04503	0.8
161.06096	6.3
166.66316	0.7
170.06406	0.7
172.05276	3.3
175.04001	6.6
175.07605	1.0
179.07147	0.9
180.07924	9.9
183.13753	0.7
185.06143	1.3
189.05566	5.5
203.07208	3.5
205.08835	0.9
211.13402	23.4
220.10983	1.0
229.18050	1.3
230.09531	1.1
248.10532	57.9
285.14917	0.7
300.13660	3.8
311.16513	0.9
317.17691	1.4
318.14786	1.1
345.20718	2.7
355.18933	1.4
373.20233	32.3
373.25070	1.0
391.21252	100.0
392.43964	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	391.2127
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
50.91176	0.6
56.93357	0.8
57.50482	0.9
58.34922	1.0
59.01378	4.9
119.75384	1.0
121.04194	0.9
135.04517	4.8
160.05295	3.6
161.02417	1.9
161.06114	4.2
162.06895	0.9
175.04018	6.9
176.04826	1.6
179.07161	1.1
180.07925	12.8
183.13924	1.5
189.05724	1.1
199.18970	0.9
211.11380	1.4
211.13394	30.9
220.07359	12.3
220.10941	1.0
248.10742	1.0
248.73466	0.9
269.15454	1.4
285.14996	14.1
285.18057	1.5
301.18039	1.0
311.16660	4.3
314.15167	3.8
318.14548	1.4
327.19687	3.1
329.13959	1.8
329.17621	1.5
331.19031	2.0
332.16238	1.2
339.51727	0.9
345.20688	13.2
347.15173	1.6
373.20203	33.4
391.13336	2.6
391.21359	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	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
52.29450	0.3
57.03453	4.0
58.48962	0.3
59.01386	0.8
65.09870	0.3
71.55294	0.3
81.03458	0.5
83.01384	5.2
88.27946	0.4
122.49350	0.4
123.04509	0.5
125.02436	100.0
149.02419	2.1
151.00381	1.0
167.03503	2.2
208.51340	0.4
216.80768	0.4
221.19086	0.7
223.16946	1.6
261.94409	0.5
265.18109	1.4
280.14145	0.4
391.21255	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	391.2128
Annotation	Nigakilactone B
Peak:m/z	Relative Intensity
52.98959	0.6
59.01383	3.9
77.03246	0.7
78.95879	0.9
82.68218	0.6
113.02454	0.7
117.91811	0.8
127.42098	0.8
127.90231	0.6
135.04546	2.8
180.07896	10.6
194.09523	10.5
211.13380	4.6
220.11169	1.1
222.08981	3.6
259.16946	0.8
285.14969	1.0
286.13022	0.8
301.18301	1.4
317.21289	1.2
319.22833	3.2
327.19641	6.2
345.20724	100.0
355.19183	0.8
363.21783	20.4
373.20291	2.8
391.21317	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.213
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
52.90009	2.3
59.01381	13.4
65.11767	2.3
66.32878	3.0
67.43947	2.6
70.51818	2.5
81.03446	10.5
121.74325	2.9
125.02458	26.7
186.38976	3.0
257.82581	3.0
294.12643	12.1
347.22229	6.2
391.21326	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71128	9.3
54.72099	8.6
57.95650	10.5
59.01388	100.0
75.42926	9.2
80.85303	9.4
92.19801	16.4
118.47743	11.7
143.96669	9.5
188.79991	10.0
255.23277	57.6
342.79529	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	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	93.2
65.43768	43.7
77.96030	48.4
78.33705	54.1
79.74693	55.5
133.97134	53.2
182.78444	54.4
188.39755	56.9
189.86765	49.5
191.78517	57.1
196.40746	60.3
255.23376	100.0
259.66577	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	93.2
65.43768	43.7
77.96030	48.4
78.33705	54.1
79.74693	55.5
133.97134	53.2
182.78444	54.4
188.39755	56.9
189.86765	49.5
191.78517	57.1
196.40746	60.3
255.23376	100.0
259.66577	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81898	1.1
51.42099	1.1
51.84167	1.0
52.87964	1.0
53.49376	1.1
59.01373	8.7
61.15870	1.1
71.01395	1.8
73.02954	2.0
78.01790	1.2
81.03459	2.0
83.01420	1.7
90.44040	1.5
91.68070	1.3
97.02943	1.9
102.92461	1.4
109.69491	1.5
119.05037	2.6
121.02924	1.9
122.03265	1.4
125.02454	23.2
126.02774	9.7
145.02946	2.8
146.03307	5.9
151.00375	1.6
152.00735	1.7
155.08655	1.4
156.03871	1.4
162.06363	1.9
185.05954	5.3
186.06476	10.9
188.04356	1.6
193.01476	3.1
194.01784	2.8
199.07611	5.4
200.07983	10.4
204.07498	1.9
228.07602	3.1
229.05042	8.7
230.05418	19.4
241.05186	3.1
242.05382	8.0
243.06543	1.6
244.06935	6.1
256.06912	2.3
271.06107	27.5
272.06470	100.0
284.06421	5.5
292.46765	1.3
301.07239	6.3
302.07443	25.6
374.09604	1.9
384.03366	1.3
392.10303	12.1
392.20154	8.3
416.36026	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	392.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34031	0.5
53.08006	0.5
53.95171	0.6
61.07895	0.6
61.98838	100.0
67.97878	0.6
69.40414	0.6
72.36948	0.6
80.46899	0.6
92.20141	0.8
131.55457	0.6
167.07152	0.8
229.64183	0.7
363.27542	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	392.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13654	0.8
61.83163	0.9
61.98832	7.8
66.76356	1.0
86.09509	1.1
92.63600	1.4
100.14938	1.0
107.14016	1.2
137.94066	1.0
170.05598	1.1
223.76607	1.0
285.90271	1.1
308.78061	1.2
329.17596	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	392.172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
77.88200	0.9
78.24664	0.9
89.64361	0.9
173.29207	0.9
182.67468	0.9
293.91870	0.9
296.18921	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10448	1.4
61.98837	100.0
94.15709	1.7
106.26664	1.6
142.47215	1.7
249.54037	1.8
376.79385	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	393.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90423	6.2
56.98294	7.3
57.21851	6.7
59.01378	16.8
59.44522	5.8
60.93543	7.7
73.63376	7.2
81.18650	7.2
84.57413	7.5
88.18446	6.8
214.71880	7.4
237.11473	9.7
289.18042	47.4
301.89490	8.9
326.86893	9.2
357.13364	11.8
361.16953	8.5
393.19348	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	393.1196
Annotation	Aloesin
Peak:m/z	Relative Intensity
57.03446	0.8
59.01389	11.2
59.29250	0.7
71.01404	0.9
73.02943	1.1
79.42741	0.7
83.01354	0.9
83.05035	3.9
91.73904	0.7
99.04525	0.8
101.02402	1.3
109.02950	1.5
115.03903	0.9
119.05002	5.0
121.02956	3.5
125.06157	0.8
143.05026	4.5
145.02968	14.4
161.06097	18.7
165.63199	0.8
174.51004	0.8
177.01933	3.1
185.06061	3.2
187.04007	1.5
192.69392	0.8
205.07150	3.2
211.07655	1.3
229.05011	7.4
241.05070	4.4
243.06621	4.2
255.06635	37.6
267.06619	1.4
297.07724	3.2
375.10818	1.3
393.11914	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	393.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86259	1.8
59.01365	15.4
59.53547	2.2
59.99014	1.8
68.99803	2.2
71.58594	1.9
79.19559	2.2
80.05059	29.0
82.50208	2.0
82.81576	1.9
104.05109	2.2
108.04536	3.9
112.04044	4.2
117.84609	2.2
121.02953	3.0
122.06120	56.8
124.04118	7.5
132.04567	21.7
134.06114	2.3
138.05609	2.7
148.04037	22.4
150.05615	50.8
152.25282	1.9
160.04074	19.6
166.05107	3.8
167.06628	2.0
176.03503	21.1
177.04332	15.3
178.05125	5.0
183.62918	2.1
192.03043	59.0
194.04570	41.0
202.08705	9.7
204.03087	2.4
212.10873	3.7
221.03188	3.3
226.07356	3.1
243.07834	2.3
255.11438	4.2
256.09808	2.9
257.09146	3.2
299.10590	2.6
313.12155	2.9
331.12845	13.6
375.11905	29.0
393.12888	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	393.156
Annotation	Queenslandon
Peak:m/z	Relative Intensity
51.48495	0.5
56.81924	0.7
61.79979	0.7
84.91582	0.6
106.57078	0.7
118.72087	0.7
129.17415	0.9
195.06454	0.7
228.35133	0.6
242.04247	0.7
249.09247	0.9
265.08707	4.7
268.07489	1.2
269.08176	3.5
282.08987	7.9
283.09763	39.0
285.07715	0.9
297.11307	4.6
298.08463	1.0
300.10019	7.0
313.10812	9.6
322.39282	0.7
330.11188	4.9
331.11893	74.0
332.09106	1.1
345.13293	8.7
376.95007	0.8
393.15585	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	393.1558
Annotation	Queenslandon
Peak:m/z	Relative Intensity
51.54713	1.2
53.39230	1.2
69.27258	1.4
121.02931	1.8
126.36346	1.4
134.03758	1.9
149.02426	13.1
149.06007	1.4
151.03998	2.5
164.04796	21.9
165.05580	1.4
167.03500	32.2
178.19157	1.5
182.05867	6.2
197.04602	10.0
212.06892	28.5
233.06236	1.9
235.07661	41.9
240.39886	1.3
250.06337	3.5
253.08623	2.6
265.08661	12.7
268.07382	2.4
270.09085	3.1
279.06622	1.8
282.08997	10.3
283.09781	34.5
297.11450	12.7
299.09296	2.8
313.10867	16.7
318.11081	3.2
330.11084	11.8
331.11774	18.7
345.13531	10.8
357.09882	1.6
363.14566	2.7
378.13245	6.4
386.47800	1.3
393.10614	3.5
393.15649	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	393.156
Annotation	Queenslandon
Peak:m/z	Relative Intensity
52.54389	2.2
52.78415	2.1
53.73724	2.3
59.01387	27.1
71.01399	2.8
85.06578	12.9
87.65473	2.8
90.89754	2.5
91.24322	2.4
95.04988	2.6
97.06605	23.2
101.02432	17.1
105.61172	2.7
109.02935	15.0
111.04459	4.2
111.08186	3.3
123.08154	14.7
124.05291	11.0
125.06094	19.1
137.09712	3.1
139.04051	3.4
139.07640	5.8
140.04776	2.5
141.05583	3.0
141.09233	25.1
150.23573	2.7
151.11299	3.6
162.15863	2.6
163.11293	4.3
167.03552	3.7
179.10915	3.7
191.10770	5.4
193.12349	16.4
207.10320	10.6
209.11914	5.6
259.16937	3.8
277.10867	3.1
277.18069	15.2
287.16449	22.6
305.17441	4.1
331.15457	36.1
349.74683	2.8
375.14496	21.0
393.15555	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24685	0.8
59.01387	100.0
66.56079	0.9
70.58143	1.1
71.01379	6.6
75.00858	1.6
78.24181	0.9
83.05013	1.1
85.02952	1.2
89.02445	7.8
92.19436	1.4
94.61242	1.0
101.02431	6.2
113.02431	5.8
151.80281	1.0
155.75995	1.1
161.04553	1.8
176.04643	3.9
179.05573	1.7
213.15024	1.3
255.91859	0.9
289.13040	2.1
333.12299	1.9
333.19263	13.6
365.83798	1.0
393.15753	5.3
393.21289	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	393.2285
Annotation	Arthrobotrisin A
Peak:m/z	Relative Intensity
56.87325	0.6
57.03439	0.9
68.66220	0.7
76.55935	0.6
81.03465	9.8
82.82708	0.6
83.05022	1.2
98.10150	0.7
109.06550	0.7
112.72653	0.6
113.09683	0.7
122.03783	0.7
125.02457	21.6
151.00331	1.0
265.21600	1.2
267.19659	1.6
280.00903	0.7
283.43518	0.7
289.21851	1.4
305.21201	0.7
307.22882	1.1
309.20819	2.4
309.45621	0.6
331.22824	2.8
349.23785	13.4
393.22870	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	393.2284
Annotation	Cytosporic acid
Peak:m/z	Relative Intensity
57.03448	3.8
59.01382	1.4
61.76949	0.6
69.73048	0.8
71.53856	0.7
83.01376	5.5
86.74019	0.7
91.03969	0.9
91.07270	0.7
95.73971	0.7
105.33755	0.8
115.04500	0.7
125.02433	100.0
143.25374	0.7
149.02505	0.7
311.16504	2.9
316.81335	0.8
319.22772	6.5
361.51740	0.8
369.65503	0.9
393.17899	1.3
393.22836	27.4
403.41776	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	393.2285
Annotation	Cytosporic acid
Peak:m/z	Relative Intensity
54.56800	0.5
57.03453	0.8
57.12456	0.6
74.03835	0.6
81.03455	8.1
83.01362	1.0
83.05030	1.1
92.19453	0.7
95.05037	0.6
97.06595	0.6
122.03706	0.8
125.02428	24.8
125.68884	0.5
128.17989	0.6
130.28447	0.6
151.00314	0.8
189.12788	0.6
265.21658	0.8
267.19653	1.0
281.04608	0.6
289.21747	2.8
307.22821	2.6
309.20630	0.7
331.22696	2.2
347.22455	0.7
349.23853	11.8
375.22000	0.9
393.22839	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	393.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01384	4.3
64.01816	0.7
90.53302	0.6
113.08964	1.3
113.09723	28.9
125.02408	2.7
130.67149	0.6
133.69072	0.6
139.11267	4.0
149.02402	0.6
149.13283	1.2
151.52351	0.6
161.13358	1.3
193.12328	3.1
203.14423	1.4
205.12328	1.2
211.65483	0.7
221.10776	0.6
221.15459	4.3
247.20660	1.4
268.78455	0.7
275.23813	3.7
290.42084	0.7
290.99115	0.7
319.22803	100.0
393.22208	6.0
393.26819	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	393.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.3
57.33823	1.5
59.01368	6.2
71.11494	1.2
77.03996	0.9
81.03464	4.0
83.01374	1.6
83.05016	1.2
97.06538	1.7
113.09719	26.6
123.45036	1.1
125.02437	49.3
139.11279	5.5
152.99551	1.8
193.12312	2.3
205.12381	1.1
221.15472	2.0
223.20665	5.7
247.20712	1.1
252.41678	1.1
265.21762	12.1
267.19614	2.0
275.23721	6.8
279.23135	1.1
287.23807	1.2
307.22806	3.9
319.22797	100.0
331.22714	1.6
349.23825	2.3
393.22787	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69143	69.4
76.50681	92.6
76.93156	76.3
85.63718	86.3
99.90961	100.0
102.65883	79.3
154.32939	79.7
312.18863	89.6
372.75345	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
61.95823	2.3
61.98834	39.5
70.74056	2.5
90.45410	3.0
176.11702	3.0
212.80971	2.9
331.19156	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	394.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02983	0.7
51.50592	0.7
51.83072	0.7
59.01385	0.8
59.08757	0.7
61.98836	100.0
67.16615	0.7
69.09746	0.7
88.92490	0.7
98.41306	0.7
313.18045	5.4
331.19052	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	395.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
60.99316	11.1
68.04117	0.9
88.98804	100.0
92.19482	1.1
112.65597	1.1
151.90175	1.4
169.44872	1.2
172.84041	1.1
197.04602	1.2
380.47473	1.1
395.15829	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	395.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63636	0.8
57.90947	0.9
59.01375	3.7
60.99315	13.4
67.03928	1.0
71.01364	1.5
73.02909	1.3
78.24648	0.9
88.98801	100.0
89.02409	1.1
92.20097	1.0
101.02465	1.7
105.20457	0.8
170.97540	0.9
256.29880	1.0
395.10156	1.2
395.15430	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	395.0774
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
50.52820	1.3
50.84718	1.4
53.47821	1.4
54.35791	1.5
56.39924	1.3
57.03455	3.6
59.01385	37.0
61.98809	1.7
66.78983	1.4
74.46400	1.5
81.60011	1.5
85.06582	2.1
101.52245	1.6
102.15365	2.1
105.88199	1.7
109.02950	27.6
123.04552	4.1
123.22980	2.1
124.61806	2.1
125.02431	34.7
125.06098	3.0
135.04590	2.4
136.64391	1.6
149.02481	2.9
159.04584	6.9
163.04007	8.5
167.25909	1.7
175.04041	9.1
183.04559	3.6
187.03995	3.5
192.86461	1.9
196.47565	2.1
197.06145	2.5
199.04027	10.6
199.40454	1.8
201.05588	9.9
205.05067	15.0
217.05051	2.5
225.05609	8.8
229.05104	15.4
231.02939	3.1
241.05061	10.0
241.08812	2.9
243.02982	18.9
245.04510	30.0
249.05487	2.3
257.04608	2.8
269.04568	82.8
273.04089	19.8
280.03717	2.4
281.08249	1.7
285.03973	3.2
286.04813	2.5
289.18143	2.7
293.04562	9.1
294.05487	3.7
307.06522	2.4
309.07779	13.7
351.08722	8.6
359.11420	3.2
395.02588	3.2
395.07773	100.0
395.17001	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	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17025	16.4
55.68571	21.6
59.01376	28.5
65.98912	18.5
75.00838	35.9
96.96964	44.0
111.55659	24.0
114.72041	20.9
115.00336	39.6
145.01436	40.7
173.04633	23.4
191.05595	100.0
197.08154	25.4
221.30446	22.5
343.82404	21.3
395.11008	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06135	10.8
59.01382	26.6
79.33205	11.1
79.63542	13.0
383.57413	13.2
395.11102	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	395.15
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23388	0.5
90.12354	0.6
276.07999	1.0
289.05557	1.0
289.08719	27.9
295.28543	0.7
304.11060	100.0
305.07825	0.8
306.08978	1.5
313.18161	3.2
319.13403	33.5
320.10413	3.7
335.12973	0.8
348.10001	7.7
363.12405	43.9
395.15002	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	395.1558
Annotation	Mirabegron
Peak:m/z	Relative Intensity
59.01385	53.7
61.85660	1.1
68.82002	1.0
71.01378	21.3
73.02932	3.1
77.15232	1.1
83.01378	1.9
84.51304	1.2
85.02934	2.3
89.02449	30.2
90.17931	1.3
92.20074	1.3
97.28961	1.1
99.00902	1.4
101.02444	29.0
105.01923	5.1
113.02441	16.4
117.05515	2.0
119.03489	13.7
127.07652	13.5
145.08690	13.5
159.60999	1.2
161.04398	1.4
307.13998	69.8
357.10699	1.4
395.15561	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	395.1712
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
55.90488	0.8
59.01384	20.8
61.98827	1.3
63.57586	1.0
71.01357	1.3
73.02951	1.3
78.94169	1.0
97.02939	1.1
101.92730	1.0
103.73181	1.0
105.49181	1.1
108.25533	0.9
128.40976	0.9
130.08174	1.0
131.02902	1.0
133.06589	1.8
147.11768	4.0
173.09720	10.2
174.10492	21.2
187.11247	5.5
189.12866	94.5
233.11827	100.0
239.76076	1.1
395.12738	1.6
395.17007	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	395.1924
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01878	1.4
55.21411	1.3
57.03455	1.6
59.01385	25.7
71.01382	34.2
72.99317	1.3
73.02943	25.9
83.01366	9.0
85.02945	20.0
89.02438	7.6
95.01393	2.5
99.00855	8.8
101.02443	46.4
113.02439	20.2
113.83235	1.2
125.02444	2.5
159.02992	1.8
161.04539	7.9
205.40968	1.2
208.35283	1.4
215.35583	1.4
219.26111	1.6
263.14984	39.0
289.07376	1.9
369.38312	1.5
395.19247	100.0
399.54794	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	395.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.78890	1.6
63.07337	1.6
156.33102	1.8
163.31673	1.8
168.62959	1.7
349.23941	4.3
351.25421	93.2
395.24393	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	395.2438
Annotation	Rollicosin
Peak:m/z	Relative Intensity
54.50591	0.5
92.99216	0.6
95.09830	0.6
95.83163	0.6
96.76070	0.7
100.06903	0.7
101.73223	0.6
103.21448	0.5
129.09164	0.6
144.70010	0.6
146.84480	0.6
183.17720	0.5
193.45221	0.6
238.50217	0.6
268.41953	0.6
290.49432	0.6
317.26718	0.6
333.24478	1.0
349.23846	9.6
351.25418	100.0
377.23187	1.0
395.24402	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Rollicosin
Peak:m/z	Relative Intensity
52.66871	0.4
57.03442	0.5
64.37648	0.5
70.06004	0.5
72.39461	0.5
77.69045	0.5
80.85775	0.6
81.03463	5.8
83.05058	0.6
95.18504	0.5
99.02519	0.6
122.03732	1.1
123.30477	0.6
125.02431	11.0
143.10783	1.0
147.80943	0.6
269.21170	0.9
281.52859	0.6
307.22409	0.6
309.24170	1.3
311.22266	1.3
333.24268	2.4
349.23749	0.6
351.25381	13.5
395.24396	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	395.244
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
53.19130	0.8
59.01386	100.0
109.84955	1.0
202.34351	1.0
231.16617	0.9
257.33704	1.0
267.53839	1.0
273.27164	0.9
282.25311	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	396.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64840	1.2
60.22590	1.3
81.91104	1.2
85.47537	1.3
92.19477	1.8
99.92583	62.4
100.93398	4.4
115.92059	7.9
116.92832	9.1
118.89970	100.0
119.90742	7.3
134.89481	6.7
135.90251	30.6
164.73431	1.1
277.21793	5.1
360.13986	12.0
396.11639	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00829	1.4
51.97391	1.6
57.05969	1.6
59.01105	3.5
59.01384	69.0
59.01678	2.7
62.97947	1.6
69.03427	1.9
71.01379	44.8
72.43627	2.0
72.99297	2.6
73.02943	11.3
83.01357	3.3
85.02940	11.0
85.29174	1.7
85.65882	1.8
87.00865	10.9
89.02431	33.9
90.50921	1.6
95.01408	2.3
97.02929	9.0
99.00873	3.3
101.01817	2.2
101.02447	40.1
113.02451	19.2
119.03478	8.7
125.02430	14.1
133.05098	1.8
133.81087	1.6
139.04008	2.7
143.03470	3.2
161.04549	3.1
235.08244	12.2
397.13516	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41647	1.5
59.01105	3.2
59.01382	63.9
61.97477	1.8
71.01382	48.0
73.02944	10.2
83.01387	4.2
85.02939	8.0
87.00867	9.3
89.02437	39.8
95.01361	2.0
95.50816	1.8
97.02931	9.1
99.00886	2.2
101.02435	37.5
101.49044	1.8
112.47952	1.8
113.02467	16.2
119.03503	10.1
125.02454	15.8
139.04076	2.5
143.03471	3.7
161.04556	4.2
173.91942	2.0
202.91745	2.0
223.23019	1.7
235.08199	12.1
246.67155	2.4
263.07690	2.0
341.20789	2.2
397.13525	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22093	1.9
59.01382	27.2
71.01376	4.6
80.75259	2.4
83.01377	4.8
95.05037	2.5
99.00908	2.3
100.25685	2.3
113.02464	2.5
121.19231	2.1
124.98826	3.9
142.99855	47.7
154.99869	46.1
166.02676	2.2
172.00183	2.9
173.00899	38.6
195.13844	4.2
218.12393	2.2
223.13501	5.0
223.17130	3.3
233.15408	3.4
235.13377	21.3
249.14929	5.4
251.16449	9.3
259.13370	10.1
261.14798	2.6
267.16010	4.1
273.18555	10.1
275.16580	4.2
277.14597	3.3
279.12350	12.5
291.19623	45.5
293.17557	96.7
323.11459	18.5
323.14819	3.7
335.18576	3.8
353.15442	2.3
353.19696	67.9
367.13977	100.0
397.14612	87.8
397.18945	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41890	1.7
57.03455	2.4
59.01383	29.6
71.01381	61.0
72.73488	1.6
73.02955	22.8
79.69261	1.9
80.71107	2.2
80.71637	1.6
83.01381	8.9
85.02956	23.5
87.00876	2.4
89.02416	16.2
93.73778	2.0
95.01382	3.8
98.33737	1.6
99.00876	9.6
101.02443	62.3
111.00787	1.6
113.02454	28.8
117.05555	9.6
124.15808	1.7
125.02425	2.7
129.01926	2.1
131.02324	1.5
143.03516	1.8
145.02911	1.7
159.02983	3.8
161.04552	19.6
232.21506	1.6
257.04425	1.8
265.12943	100.0
349.78888	1.5
359.13345	3.9
397.17172	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1868
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
54.36175	0.6
55.06613	0.7
55.19643	0.7
56.97519	0.6
58.00599	1.2
59.01381	0.9
59.26250	0.7
61.42035	0.6
65.34038	0.6
71.01375	1.0
78.34770	0.7
83.56033	0.7
85.90456	0.8
87.04491	1.8
93.82823	0.8
102.55222	0.8
105.02296	0.8
113.06056	6.6
124.20119	0.8
137.09691	2.9
219.17432	1.2
243.17488	1.7
257.15353	5.7
261.11337	10.4
263.20233	0.8
273.18619	14.3
275.16653	2.6
291.19693	4.8
309.20755	6.2
317.17792	1.3
335.18652	56.8
353.19815	6.6
361.16669	1.3
379.17694	14.9
397.18723	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	397.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	25.6
71.01357	1.5
78.34982	1.4
84.51530	1.3
88.82815	1.2
92.02299	1.1
92.20088	2.9
96.95988	1.3
106.72609	1.1
124.98772	1.7
127.36625	1.2
142.99860	12.9
154.99843	10.9
159.32616	1.3
173.00974	9.3
184.43893	1.3
223.13339	2.0
235.13425	28.4
247.17148	2.1
261.93530	1.3
265.18378	1.4
273.15012	6.9
273.18588	11.5
275.16513	7.5
279.12146	2.2
291.16458	1.7
291.19696	43.6
293.17612	100.0
323.11215	2.8
335.18585	9.4
353.19742	71.0
367.14038	21.5
397.14877	18.3
397.19385	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	397.2233
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
50.03629	1.4
56.11712	1.6
59.01378	9.2
60.71130	1.6
61.60654	1.5
62.32320	1.7
68.67942	1.4
71.01385	6.7
71.05041	1.8
72.73661	1.4
73.02943	3.4
78.24834	1.6
80.95099	1.6
83.05019	2.3
85.02956	1.6
95.05026	2.2
97.17245	2.0
99.00872	17.4
110.03691	1.9
110.44515	2.1
124.01677	1.8
133.06604	14.4
134.10065	1.6
135.08197	1.7
147.08154	12.6
151.07666	2.9
152.04591	2.1
163.11351	3.2
171.10269	25.1
188.33452	2.0
189.09200	2.5
313.23761	2.5
337.20193	2.7
351.21674	3.8
361.08521	1.9
361.19922	2.3
367.21280	10.3
369.23047	3.1
379.21301	100.0
397.14764	2.1
397.22229	72.0
403.11411	1.6
406.48715	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	397.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80361	0.4
59.01384	1.1
79.95764	3.5
79.96151	0.4
94.98087	1.0
96.96010	48.8
122.97593	3.6
172.31918	0.5
232.97638	1.0
310.42096	0.7
373.43045	0.5
374.90894	0.6
397.22684	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	397.2361
Annotation	Tris(butoxyethyl)phosphate
Peak:m/z	Relative Intensity
53.15382	43.2
57.44624	43.3
80.08858	46.3
104.52769	48.8
143.44777	50.7
160.69818	51.7
191.53030	45.0
277.26321	57.6
397.23178	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	397.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	3.3
96.95406	3.9
96.96010	59.6
180.66426	2.8
305.54547	3.1
343.17874	2.8
392.03363	2.7
397.22662	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	398.1323
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
56.77499	1.2
92.39897	1.5
99.92585	58.5
112.86546	1.6
115.92089	10.8
116.92845	9.2
118.89973	81.5
119.90770	2.6
127.25710	1.4
127.27442	1.5
134.89436	3.0
135.90268	22.3
150.75276	1.5
190.80617	1.3
279.23254	8.2
362.15683	8.6
383.86856	1.5
398.13232	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	399.0725
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
51.84879	0.9
65.90898	0.9
72.07979	1.2
77.50889	1.1
92.20015	2.1
97.02961	1.4
113.19651	1.0
114.01735	1.0
125.02435	5.2
132.41237	1.0
137.02409	2.1
153.02153	1.0
159.04584	1.4
165.01877	7.6
174.02985	1.1
187.04015	40.8
188.04782	1.8
189.05571	4.2
201.13710	1.1
203.03499	4.9
204.04213	1.9
205.05074	19.9
207.03017	5.1
215.03510	17.2
219.03015	1.6
227.03555	1.5
228.04320	1.3
231.02965	5.6
233.04553	100.0
245.04533	2.0
255.02977	1.8
255.47865	1.1
261.04068	20.6
273.04047	5.0
295.06107	1.1
313.07068	2.3
321.69632	1.0
355.08289	1.2
381.06210	4.0
399.07224	58.1
399.20309	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	399.0724
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
50.56282	1.1
58.79075	1.4
70.01505	1.4
71.01353	1.7
78.83540	1.4
121.02951	20.5
124.30339	1.5
125.02458	8.5
135.04504	16.4
137.02455	5.6
147.45584	1.4
163.04018	1.7
165.01947	8.2
187.04007	40.9
189.05598	2.3
202.78386	1.5
203.03574	7.9
204.04260	1.9
205.05066	18.2
207.02953	3.1
209.09943	1.4
215.03482	20.0
219.02963	2.4
227.03653	1.7
231.03059	6.5
233.04553	100.0
245.04483	1.8
255.03029	2.5
261.04108	21.7
273.04019	5.7
327.08801	1.6
381.06073	4.7
399.07355	71.3
399.12988	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.55024	1.3
59.01386	39.2
71.01379	40.6
73.02953	14.9
83.01382	8.7
84.50670	1.5
85.02954	20.3
89.02434	16.8
95.01376	2.4
99.00909	5.0
101.02450	58.4
113.02446	23.9
119.03506	6.1
120.39169	1.3
121.02950	7.1
159.03030	2.2
161.04587	14.2
169.13260	1.7
175.81784	1.5
251.11368	100.0
321.94308	1.6
399.12790	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61644	1.1
57.03437	2.8
59.01106	1.7
59.01388	39.6
63.05518	1.2
71.01385	43.1
71.46423	1.2
72.99315	1.6
73.02933	18.9
79.93643	1.3
83.01389	7.5
85.02947	23.0
87.00895	1.8
89.02444	20.8
89.17452	1.4
95.01407	1.6
99.00871	5.2
101.02440	54.9
111.00867	2.6
113.02428	23.7
115.00320	1.3
119.03468	8.1
121.02947	9.1
132.52603	1.5
143.03490	2.4
159.02966	2.3
161.04564	16.0
165.01976	1.5
204.17328	1.3
251.11357	100.0
266.82126	1.3
399.12769	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
59.01394	12.4
65.81071	0.8
69.05827	0.8
71.01373	8.0
72.05101	0.9
73.81570	0.8
76.69861	0.9
83.01365	1.1
86.70119	0.9
87.63873	0.8
89.02438	1.3
101.02466	1.6
116.56930	1.0
121.02954	100.0
135.04527	98.1
163.04073	8.1
174.47224	0.8
179.60796	0.9
223.05963	1.3
234.57864	1.1
239.93951	1.0
242.32242	0.9
383.46814	1.0
399.12955	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28339	0.6
59.01382	4.6
59.53068	0.5
60.05414	0.5
61.98835	0.7
62.02036	0.5
71.01380	2.3
73.02917	0.8
85.43690	0.5
91.67419	0.5
93.03456	0.5
101.02423	1.1
101.06073	4.2
113.02451	0.9
115.07658	5.1
121.02992	0.7
123.04515	53.5
135.04507	3.3
150.74150	0.6
153.05566	100.0
175.04649	0.5
184.20064	0.6
184.87654	0.6
209.87543	0.6
233.04451	0.6
297.09698	1.1
391.05850	0.6
399.16461	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	399.1815
Annotation	Deoxygomisin A
Peak:m/z	Relative Intensity
54.26123	0.8
60.31805	0.9
65.28078	0.9
78.95906	3.6
86.48972	1.1
87.96814	0.8
110.67918	0.9
190.79662	0.9
231.10304	8.7
259.09811	1.6
313.14505	28.9
327.16071	1.9
328.16833	16.0
329.17621	12.3
344.16306	1.4
355.15259	2.0
355.19354	1.2
356.16309	21.4
388.15280	5.4
399.18173	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	399.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47902	0.9
57.03458	2.4
59.01376	5.3
60.10833	0.8
71.01384	19.1
71.05050	1.1
73.02954	9.5
81.03468	2.2
83.05051	2.6
85.02937	9.8
95.05061	1.9
97.02956	4.4
99.04540	14.4
103.04045	1.0
104.78329	0.9
107.05050	6.4
109.06586	5.3
111.04504	4.2
113.02441	5.9
121.06598	7.8
121.07330	1.1
122.03748	2.5
125.06070	4.3
129.05580	11.6
137.06088	67.5
141.82756	1.1
149.06107	5.0
149.09691	5.0
155.07126	2.3
163.11255	1.2
167.07182	7.0
167.10756	1.1
177.09216	21.8
177.40730	1.0
195.10284	21.2
231.45430	1.3
247.13486	2.1
249.14926	1.5
325.16467	1.3
381.18774	1.5
399.20297	100.0
402.96671	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	399.2028
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
54.79340	0.7
57.03445	0.8
59.01382	3.9
71.84583	0.7
73.02943	9.9
83.05021	1.8
85.02950	12.3
86.50199	0.8
92.45287	0.8
97.02923	1.3
99.04517	1.2
103.04023	1.1
109.06602	0.9
113.02478	6.0
121.06516	1.2
123.04506	0.9
135.04427	1.0
137.06104	1.7
139.07654	0.9
153.09119	0.9
161.09741	1.0
165.09177	1.0
173.09753	1.1
175.07707	1.4
177.09213	3.2
179.10785	5.2
205.12257	0.9
215.10739	1.1
259.13425	4.1
274.24271	0.8
287.13120	1.1
295.15512	1.8
305.14005	1.6
332.38235	0.9
351.71335	0.8
363.18152	3.2
381.19299	11.8
399.20270	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	399.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65683	1.5
56.56013	1.5
56.62450	1.4
61.87991	1.8
98.88336	1.8
155.57777	1.8
176.95520	1.6
271.20840	4.1
285.22919	2.1
299.20126	10.2
317.21228	100.0
371.20490	1.8
399.21524	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01379	92.8
68.76682	4.9
71.01378	100.0
73.02935	27.5
75.00905	4.3
75.47504	4.2
76.25919	4.6
83.01388	7.7
85.02947	40.1
87.00858	4.4
89.02431	51.8
95.01380	7.9
99.00854	7.3
101.02443	76.6
113.02450	39.2
119.03484	8.2
128.94102	4.5
134.38800	4.4
135.33076	4.3
161.04553	37.1
175.47551	4.5
219.40668	4.0
256.64212	4.6
295.22604	5.2
301.11899	5.8
367.21222	9.4
399.23636	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.239
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
55.01869	3.7
59.01385	72.9
60.11024	2.5
68.99181	2.4
71.01382	80.3
73.02942	23.5
83.01389	13.0
85.02952	41.2
89.02445	38.5
89.86418	2.6
95.01405	4.3
99.00863	4.8
101.02444	57.3
107.57433	2.9
113.02433	36.9
119.03518	5.9
131.30376	2.9
132.11980	2.5
143.03548	4.0
159.02968	3.8
161.04572	23.9
177.29512	2.8
283.42987	2.8
296.06958	3.7
296.26971	2.8
306.19870	2.7
324.16251	2.7
399.19308	4.4
399.23904	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80690	1.5
55.01909	2.3
57.03466	2.1
59.01384	100.0
65.78069	1.9
71.01380	78.4
73.02934	19.8
83.01395	10.4
85.02956	31.5
87.00889	8.9
89.02440	35.8
95.01395	5.2
95.94878	2.1
99.00894	3.5
101.02432	55.5
113.02433	35.3
119.03504	18.3
131.03525	11.5
159.02980	3.2
161.04565	33.0
184.12862	2.0
221.06564	16.2
225.72879	2.2
249.00754	2.0
251.37105	1.9
303.32925	2.2
374.28104	2.1
399.24020	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	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29828	84.9
55.70919	75.8
62.93115	77.0
72.91996	98.8
92.67162	84.0
230.15218	91.0
246.43459	100.0
266.86041	99.8
285.93457	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	400.2131
Annotation	Smenospongine B
Peak:m/z	Relative Intensity
61.02640	1.8
68.05046	10.1
94.03003	2.1
96.04558	8.0
107.69482	1.9
112.04050	30.2
114.78000	1.8
150.93063	2.4
195.22482	2.3
239.17746	2.0
243.17482	2.9
259.20621	31.2
312.23373	3.4
356.22287	21.9
400.21329	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	401.0882
Annotation	Apigenin 7-xyloside
Peak:m/z	Relative Intensity
53.65340	0.3
59.01376	2.9
62.52958	0.3
71.01398	0.7
71.86008	0.3
98.89332	0.3
99.42148	0.3
101.02433	0.4
110.05009	0.3
113.60915	0.3
126.11584	0.4
149.02489	0.6
151.00377	0.6
213.11375	0.5
235.13400	1.4
240.04320	0.4
255.35313	0.4
268.03775	100.0
269.04556	10.6
293.13843	0.4
311.05484	0.5
324.37640	0.4
376.15744	0.4
401.08783	73.7
401.21854	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	401.109
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
52.74124	0.5
59.01387	10.1
60.93762	0.6
68.42068	0.6
71.01382	3.2
78.48775	0.6
82.16335	0.6
85.02950	0.8
85.56422	0.6
87.00857	0.8
89.02438	3.1
95.05032	0.6
95.64709	0.6
101.02452	3.0
109.02972	3.8
111.92728	0.5
113.02468	2.6
123.04514	0.9
125.02448	2.2
135.04535	0.7
136.67744	0.6
137.02443	1.5
139.04005	0.8
149.02417	0.7
150.06877	3.8
151.04068	1.5
151.07646	52.6
161.02443	0.6
161.06064	0.8
165.05537	0.7
167.03542	0.8
177.01909	1.1
179.03549	1.5
179.07187	4.0
191.10822	0.7
193.05127	2.5
193.08841	0.8
194.05841	15.3
194.07550	0.8
195.06638	100.0
195.10359	3.5
203.07214	2.6
205.05115	1.1
209.11850	0.8
215.07240	1.3
239.09314	1.2
239.12892	1.0
245.08266	3.3
269.10132	0.8
289.07230	7.1
301.07275	0.8
350.44705	0.6
350.50055	0.8
357.11972	4.0
357.15875	0.8
401.10950	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
73.82414	0.3
75.98471	0.3
87.00858	2.0
87.98784	0.3
92.19375	0.4
92.29122	0.3
106.04212	0.5
107.05011	2.5
117.03498	0.4
121.02946	5.8
134.03745	18.0
135.04524	100.0
154.13928	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	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22432	0.8
53.33498	0.9
59.01102	2.0
59.01387	45.2
65.37038	0.8
71.01385	28.1
73.02927	1.2
75.80721	0.8
78.64304	0.9
85.02972	1.2
87.00860	1.2
89.02445	58.8
95.01350	0.8
101.02452	24.6
102.66756	0.9
113.02454	16.8
114.94792	0.9
119.03509	19.4
125.02442	0.9
131.03481	1.8
143.03503	4.3
156.10606	1.2
161.04536	2.3
179.05617	7.6
191.50258	0.9
341.10919	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	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33504	0.9
52.45134	0.9
59.01102	1.6
59.01387	36.6
71.01379	22.7
75.82605	0.9
76.47634	1.1
78.60086	0.8
85.02964	1.8
87.00895	1.1
89.02444	45.8
89.70361	0.9
101.02444	23.2
113.02456	14.3
119.03489	18.0
131.03532	2.0
135.43369	1.0
143.03491	2.1
161.04556	1.9
179.05669	8.6
209.88707	0.9
228.33887	1.0
341.10916	100.0
401.13052	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95924	1.2
54.96266	1.2
58.86490	1.2
59.01386	100.0
66.02597	1.2
83.62561	1.1
146.03738	21.6
161.06108	12.9
164.04817	18.5
173.27986	1.5
179.07143	86.3
326.96893	1.3
401.14896	5.0
401.21310	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45447	0.6
59.01134	0.8
59.01384	10.3
71.01380	9.7
73.02943	3.8
83.01411	1.0
85.02943	5.8
89.02459	4.6
99.00884	1.0
101.02436	9.8
111.00865	0.8
113.02428	5.0
131.03503	1.4
150.06836	1.4
151.07616	1.0
161.04591	3.1
179.07111	0.9
181.08743	0.7
195.06641	4.6
195.10269	100.0
221.08229	3.6
239.09282	2.6
269.10315	6.9
401.14575	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01862	0.9
55.91294	0.7
55.96883	0.7
57.03453	1.6
58.33379	0.7
59.01381	28.3
62.23244	0.8
67.18472	0.7
68.82047	0.8
70.34322	0.8
71.01385	31.5
73.02949	8.9
83.01395	5.8
85.02946	14.1
89.02429	13.3
97.02946	1.6
99.00902	3.6
101.02428	24.7
111.00876	4.3
113.02420	11.1
116.78278	0.9
123.04543	2.0
125.02438	1.5
131.03487	6.2
143.03526	1.8
149.04564	1.7
151.07628	5.4
153.05573	5.0
161.04567	5.9
162.89383	0.9
164.04799	1.3
167.07135	3.6
181.08784	1.3
193.05093	1.6
194.05862	1.2
195.06676	7.7
195.10272	100.0
205.29634	0.8
221.08192	4.6
233.06993	0.9
239.09328	3.5
269.10284	15.7
271.63553	0.8
272.20718	1.0
293.08865	1.3
306.11615	1.1
343.13943	1.9
401.14618	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42542	0.8
58.71461	0.8
59.01384	5.8
61.39660	0.8
67.11880	1.0
71.01386	4.3
73.02928	1.1
89.02451	1.4
96.42368	1.0
101.02428	4.0
121.02959	100.0
135.04514	17.5
135.06633	1.7
163.03983	1.0
279.10760	1.4
389.41882	1.1
401.14014	3.4
401.18237	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	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
54.23344	1.7
57.03423	2.7
59.01382	38.1
61.98831	2.3
64.60342	1.8
68.90781	1.8
69.03475	2.3
71.01379	63.8
73.02937	33.1
73.46864	2.0
75.00883	3.8
76.07505	1.9
83.01382	14.4
85.02959	37.1
87.00864	4.0
89.02447	15.7
95.01393	2.5
97.02927	3.2
99.00878	13.6
101.01801	3.8
101.02436	71.5
103.04005	12.2
113.02435	34.3
119.03470	2.3
123.04523	28.9
125.02432	3.8
135.04579	2.8
151.03949	3.5
153.05569	57.9
159.02934	5.1
161.04565	26.1
168.19035	2.1
181.08719	3.3
195.06578	3.6
195.10268	13.6
269.10312	100.0
401.14621	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
59.19868	0.4
71.01392	0.7
73.02955	0.5
73.71593	0.5
77.03919	0.5
85.02949	0.5
89.39648	0.5
101.02415	0.7
117.05592	0.8
121.02955	100.0
135.04535	9.7
135.06607	1.1
179.98810	0.7
188.05894	0.5
279.10834	2.2
293.34793	0.5
401.14398	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	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
54.09645	0.6
55.01873	0.7
57.03448	1.2
59.01107	1.1
59.01385	27.1
59.01682	1.0
67.23717	0.6
67.32533	0.6
68.36110	0.6
71.01379	18.0
73.02939	7.4
74.77863	0.6
80.91692	0.9
83.01383	3.2
85.02947	11.3
89.02449	10.0
95.01383	0.8
97.02988	0.6
99.00874	1.3
101.02442	18.4
107.42831	0.6
113.02437	8.8
119.03479	2.9
120.97040	0.6
121.02928	1.1
123.08146	3.2
125.02438	0.9
125.67262	0.6
140.68588	0.6
177.12842	8.3
185.12523	0.6
195.13940	2.6
221.11873	5.6
232.39722	0.7
401.18182	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.9
59.01386	44.1
59.01834	1.4
64.41093	1.2
66.63223	1.1
71.01379	18.4
78.65968	1.1
85.02966	2.0
89.02448	21.6
95.01396	1.7
101.02443	15.3
111.96233	1.1
113.02453	6.9
119.03510	6.2
177.12843	10.9
221.03708	1.3
221.11884	14.8
239.12859	6.4
401.18198	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	401.1821
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.11555	0.9
59.01106	2.1
59.01385	46.6
62.50930	1.0
64.84973	1.2
67.25879	1.1
71.01385	21.3
85.02962	4.9
89.02448	22.0
101.02435	16.5
105.12050	1.1
107.05019	1.7
109.96720	1.3
113.02469	9.1
119.03521	4.2
136.14842	1.1
150.68802	1.2
165.53716	1.2
177.12842	13.7
221.11813	15.0
239.12831	5.8
313.44440	1.2
337.42218	1.2
341.72568	1.2
401.18192	100.0
404.81479	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01387	96.6
64.30859	1.0
69.77122	1.0
69.96935	1.1
71.01382	56.0
73.02952	2.2
83.01398	1.6
85.02948	8.9
87.00876	5.6
89.02448	57.1
95.01389	4.2
97.02939	2.3
101.02445	30.4
109.06603	2.3
113.02448	24.7
113.94853	1.2
118.96810	1.1
119.03500	17.4
122.03787	1.6
125.02477	4.6
136.05321	7.0
137.06108	4.8
139.07660	2.3
143.03571	1.8
147.08195	1.6
149.09706	2.5
151.07675	1.6
160.88002	1.3
161.04573	9.6
163.11324	2.4
165.09201	12.2
167.07115	1.2
177.09219	5.6
179.05612	6.5
191.10811	29.6
191.63860	1.2
194.09512	1.4
203.10768	3.9
209.11839	26.7
221.08282	1.7
221.11870	10.7
231.75914	1.4
239.09239	1.5
239.12906	53.5
308.74026	1.2
331.13889	2.1
373.54214	1.2
383.17181	9.1
401.18265	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	401.2336
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
53.81882	1.0
68.54800	1.2
71.54453	1.0
75.52618	1.2
81.03467	6.8
87.40614	1.1
90.28004	1.1
121.02938	5.8
122.03745	2.5
125.02405	10.0
162.03336	1.2
166.02780	1.4
179.03514	2.0
235.09723	1.3
273.18692	2.9
327.23380	11.0
371.22134	1.7
401.23364	100.0
417.53598	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	401.2334
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
52.91150	0.5
57.03451	1.1
63.77781	0.4
70.54237	0.5
72.81286	0.5
74.70284	0.5
81.03458	13.7
82.70952	0.5
83.01380	1.2
83.05001	0.7
88.48792	0.5
121.02941	2.3
122.03709	1.2
123.04421	0.6
125.02438	22.1
135.13998	0.5
135.26012	0.6
151.00360	1.9
182.32901	0.5
273.22247	0.8
275.20129	2.8
297.22223	2.4
301.21716	3.5
315.23172	4.3
317.21143	1.0
339.23468	0.6
357.24344	13.5
383.22299	0.9
401.23355	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	402.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24094	0.5
61.98836	100.0
79.26439	0.4
79.56255	0.4
97.76068	0.5
139.88577	0.5
172.55356	0.4
192.75783	0.4
217.14664	0.5
235.99611	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	403.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71357	0.9
80.70267	1.0
82.37646	1.0
83.67078	1.2
84.14447	0.9
85.02947	100.0
87.57455	1.2
111.00894	13.0
118.70856	0.9
120.07384	1.0
127.04011	1.4
129.01939	55.1
173.00905	25.4
184.97679	18.3
191.01974	5.2
191.05623	94.0
210.99278	6.0
228.96597	1.4
229.00356	2.3
253.00363	1.2
254.98210	14.6
278.98254	1.6
341.01849	14.3
359.03436	10.9
403.01938	23.4
403.06854	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	403.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80439	1.4
59.01387	3.7
71.01378	2.1
78.95911	34.3
89.02435	2.3
96.96000	44.7
96.96954	100.0
97.02965	1.9
109.02918	2.0
111.04504	2.1
125.02441	50.7
137.02429	18.6
139.04012	12.9
164.01155	2.5
165.01913	16.7
167.03465	19.5
177.01990	2.2
179.03506	15.1
203.03548	2.6
204.04259	2.0
219.06654	8.5
221.04507	3.8
223.06104	1.8
243.06396	1.5
284.16980	1.7
305.06674	94.4
326.25836	1.5
359.09723	1.6
403.12384	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	403.0823
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
56.78167	0.7
59.01394	0.7
72.99307	1.3
77.59325	0.8
97.70857	0.8
100.47265	0.8
117.03471	6.1
202.37930	0.7
209.02583	0.9
223.03958	1.3
226.02739	22.2
227.03461	3.8
241.05080	7.4
251.03477	4.5
253.01431	15.4
265.05331	0.8
268.03745	4.6
283.06055	3.4
285.04062	1.2
294.01794	1.2
299.07068	0.8
309.04086	1.6
311.16562	1.2
313.71848	0.9
343.06052	4.7
371.05606	56.9
387.05020	3.0
388.06015	3.8
389.06766	6.3
403.08231	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	403.0824
Annotation	2'-Methoxyisodiospyrin
Peak:m/z	Relative Intensity
55.41785	0.6
59.01365	3.5
75.95014	0.6
88.69811	0.6
92.19386	1.4
138.52486	0.7
159.04497	3.9
173.06067	7.4
175.03960	0.8
181.72632	0.7
183.04498	22.6
185.02452	3.2
185.96146	0.7
217.05115	1.1
226.02669	3.4
227.03505	100.0
251.03473	3.1
253.01442	1.3
331.53152	0.7
361.40546	0.7
371.05682	3.8
403.08261	67.7
423.98456	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	403.0825
Annotation	2'-Methoxyisodiospyrin
Peak:m/z	Relative Intensity
51.66290	0.8
53.32911	0.7
57.11583	0.8
58.84975	0.8
59.01380	1.2
61.04286	0.9
61.94395	0.8
68.55283	0.8
74.71047	1.0
92.19462	2.0
93.03448	8.6
93.44263	0.9
117.03470	20.7
137.02441	4.1
159.04514	15.7
161.02452	1.4
163.43991	1.0
173.06071	4.3
197.06081	33.0
199.04056	7.5
203.03447	5.1
239.07185	1.1
241.05078	100.0
253.96136	0.9
263.25159	1.1
265.05048	23.5
267.03012	6.5
283.06088	29.0
309.04364	7.3
346.90356	1.0
355.80884	0.9
403.08270	91.2
404.52640	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88337	0.7
71.01366	1.1
71.76214	0.8
73.63798	0.8
80.10488	0.7
88.79568	0.7
96.96970	0.9
105.50313	0.8
108.02190	15.7
108.55148	0.9
123.04530	16.8
152.01164	49.1
167.03500	100.0
175.41376	0.9
233.29362	0.8
289.07278	1.0
305.46490	1.0
333.98584	1.1
359.96365	0.9
403.12466	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1401
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
59.01389	3.8
60.55306	2.8
61.70187	2.1
74.02198	2.8
80.54653	2.3
92.59966	2.7
99.00877	44.7
109.02960	4.7
122.03710	14.3
123.04519	70.6
137.02460	17.2
148.05305	5.7
151.04013	13.1
152.04787	36.6
163.03963	9.7
165.05571	16.9
167.07130	6.5
175.54659	3.1
177.05539	10.5
177.97554	2.8
182.71358	3.0
191.03665	2.6
205.05074	5.7
220.07439	3.3
235.06152	16.4
239.32169	2.8
275.44345	2.6
277.29465	3.0
279.08795	10.3
312.20886	2.9
313.59723	2.9
315.08707	4.5
327.08963	3.8
330.11090	18.2
342.10870	2.9
345.13522	38.3
373.12769	12.1
384.35104	3.0
403.09125	5.1
403.13974	100.0
403.18793	4.5
419.11606	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	403.1399
Annotation	Flustramine H
Peak:m/z	Relative Intensity
54.03080	3.0
56.17864	2.9
56.80668	3.1
61.96891	3.2
108.02177	6.6
109.02938	5.1
112.54043	3.7
123.04539	7.0
137.02473	6.8
139.04036	5.1
141.03191	3.5
151.04034	14.1
159.04498	14.2
160.05327	5.5
187.04091	4.7
190.06313	3.3
202.06334	4.5
203.03462	4.8
231.06615	8.4
259.06189	4.4
289.84882	3.4
296.06897	5.9
299.09192	5.6
311.09244	42.6
325.10690	4.6
326.11655	6.8
329.13992	4.2
341.13889	28.4
357.09680	6.8
359.14890	6.0
371.38568	3.5
373.09213	20.6
385.12946	18.9
403.13971	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	403.1402
Annotation	Flustramine H
Peak:m/z	Relative Intensity
51.89510	1.8
51.97277	2.4
59.01381	23.9
71.01366	4.5
73.02940	8.5
75.00877	2.4
85.02955	3.4
97.02935	2.6
101.02438	4.0
109.02934	10.1
111.04550	4.5
113.02475	2.6
115.00352	4.6
123.00876	4.8
125.02436	100.0
137.02473	30.9
139.04021	27.2
150.91898	2.2
151.04054	2.6
155.10738	3.7
161.02515	3.4
164.01163	4.7
165.01947	31.3
167.03487	29.7
171.10281	3.2
175.02509	19.1
175.03767	2.4
175.07591	2.9
177.01947	4.4
177.05612	9.5
178.02773	21.2
179.03514	23.2
179.07091	5.1
193.05034	23.6
203.03416	5.0
204.04285	2.3
209.04562	8.4
219.06630	37.5
220.47975	2.0
221.04488	18.3
233.08255	2.8
261.07654	9.3
268.08627	4.4
283.10880	4.0
285.13382	2.3
305.06702	94.2
359.11389	14.7
359.24582	3.5
403.14319	84.9
403.19229	8.2
403.23804	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.81043	2.4
59.01105	4.1
59.01385	100.0
63.68970	2.6
71.01382	35.0
72.99310	2.8
83.52503	2.6
84.44354	2.5
85.02922	3.0
89.02449	39.1
101.01875	2.6
101.02432	19.2
111.05714	2.8
113.02451	12.2
119.03493	17.4
121.02917	3.9
122.03701	2.9
127.69963	2.6
135.04535	21.4
156.39194	2.6
164.04712	2.8
166.06354	59.0
167.05872	4.7
167.07149	98.2
179.05705	3.0
179.07153	5.5
185.20244	3.1
223.09755	43.4
243.36649	2.6
292.56885	3.0
302.53467	2.9
343.14224	4.2
403.16168	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
56.38359	2.0
56.88190	1.9
57.03447	15.7
59.01383	95.4
62.24681	2.3
63.28944	2.2
65.63585	2.3
65.80009	2.0
68.06676	2.2
71.01374	10.2
73.02928	2.7
80.44001	2.6
82.86359	2.2
89.02462	17.6
101.02435	12.0
102.01694	2.2
113.02474	3.0
119.03497	5.7
121.06570	18.7
135.11839	4.0
137.09630	3.0
144.86653	2.5
161.09731	15.4
163.07648	45.7
190.28725	2.3
197.11823	69.6
223.09698	5.6
225.57397	2.3
241.08360	3.5
241.10825	100.0
261.64847	2.6
278.65161	2.7
403.16266	34.6
407.38187	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.86679	1.1
60.64137	1.3
71.01385	4.8
76.99442	1.2
79.04727	1.2
80.17750	1.4
89.02446	12.3
101.02439	3.2
101.67641	1.4
104.92165	1.3
113.02415	2.6
119.03493	2.7
120.17802	1.4
179.05638	2.4
208.03374	1.4
343.13467	1.7
391.09201	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	71.2
61.98822	3.5
71.01394	23.8
73.02962	13.7
83.29769	3.7
85.02961	6.9
89.02425	16.1
95.01391	3.4
97.93436	2.8
101.02435	25.9
113.02464	6.1
161.04570	4.3
166.06392	5.6
168.18993	3.3
181.08681	47.4
308.71616	3.5
343.13989	100.0
394.90515	3.3
403.15665	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	403.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44624	2.1
54.03818	2.0
58.13743	2.1
59.01382	26.6
59.75686	2.2
60.52381	2.2
61.21798	2.4
61.86998	2.2
65.99992	2.6
71.01366	29.8
75.25980	2.4
85.02951	5.3
87.12701	2.2
95.05047	2.8
97.02991	4.3
111.04449	3.3
121.06532	5.3
123.04506	14.1
123.08089	4.7
136.05371	3.0
136.43633	2.6
137.06078	18.3
139.04109	3.0
147.04512	100.0
149.06090	5.5
151.07700	4.6
165.05542	71.4
165.09181	26.1
175.07701	5.7
177.09201	11.7
181.12285	3.3
182.81078	2.4
190.37332	2.6
191.07140	3.4
195.06593	17.1
203.07114	6.1
229.12238	10.8
245.11855	3.2
245.15331	3.3
247.13441	4.5
313.14532	4.9
319.15527	53.4
343.15414	19.3
361.16544	24.6
373.16647	10.0
403.17569	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
59.01386	100.0
71.01381	66.7
75.86537	2.4
84.41748	2.6
85.02965	5.1
87.60643	2.2
88.35983	2.4
89.02438	92.4
101.02430	19.1
113.02473	18.0
114.35725	2.8
119.03465	10.5
121.13439	2.3
143.03493	3.2
143.68140	2.9
161.04570	4.4
171.62184	2.4
179.05684	30.6
192.77309	2.7
195.13953	4.9
223.13432	36.4
340.17792	2.6
362.30600	2.7
403.24567	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	403.1976
Annotation	Lauroside B
Peak:m/z	Relative Intensity
53.62081	1.8
57.03452	3.3
59.01384	100.0
67.96413	2.0
71.01382	62.4
73.02935	4.6
83.01378	3.7
85.02955	13.4
87.00851	3.0
89.02441	67.9
89.70078	2.1
101.02438	46.1
113.02448	32.3
119.03495	28.6
122.57310	2.1
137.09715	2.4
143.20552	2.0
155.03615	2.5
161.04538	4.1
167.03473	4.1
179.05644	9.1
209.04625	3.1
211.13368	10.8
241.14400	8.2
279.05551	2.0
347.50970	2.3
364.03946	1.9
373.18658	90.8
403.19910	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	71.6
67.96148	50.3
71.23599	61.6
96.57854	50.4
152.99619	100.0
196.50453	54.2
336.74814	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46676	80.8
58.98390	76.6
75.69632	81.0
77.84171	81.7
148.43095	100.0
231.11488	83.9
245.48267	85.0
259.21002	86.0
273.75995	87.6
345.34396	99.8
352.51154	95.5
353.31128	93.1
427.41544	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2491
Annotation	yanuthone M
Peak:m/z	Relative Intensity
51.73045	0.7
54.70171	0.9
55.75139	0.6
59.15692	0.6
60.47631	0.7
64.94058	0.8
72.89928	0.6
81.03469	9.0
83.01368	1.2
85.38971	0.8
103.45370	0.7
122.03721	4.7
125.02446	12.1
135.04468	0.7
151.00360	1.3
193.93826	0.8
319.22775	1.9
341.24881	1.0
359.26004	15.5
403.24930	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	403.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20773	0.7
59.01384	100.0
62.55330	0.8
64.47090	0.8
67.61991	0.9
77.21413	0.9
114.02928	0.8
130.81670	0.9
136.76347	0.9
213.48547	0.9
214.76878	0.9
238.26152	0.9
246.45642	0.9
307.57578	0.9
315.15930	0.9
343.28644	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	404.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87897	0.4
59.09655	0.4
60.20390	0.4
60.32358	0.4
61.98837	100.0
65.34217	0.5
96.95688	0.5
114.11609	0.5
367.14670	0.5
404.10571	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	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80655	0.4
55.75486	0.4
57.21943	0.4
57.64952	0.6
58.08147	0.4
61.98836	100.0
89.24231	0.4
127.09073	0.5
267.61310	0.5
323.87314	0.5
404.10501	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	405.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
66.13885	0.9
80.20150	0.9
85.85886	1.1
90.65223	0.9
93.03457	6.7
111.90185	1.1
117.03466	21.8
151.49393	0.9
155.05049	6.4
159.04492	11.6
161.02431	1.6
175.03999	2.4
199.04024	52.7
201.01941	5.0
203.03510	2.5
203.14226	1.0
208.95604	1.1
223.04077	1.9
238.89986	1.0
241.05087	5.5
243.02985	90.8
251.12560	1.0
267.02939	20.7
269.00946	6.1
285.04047	29.4
311.02072	7.4
405.06189	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	405.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.3
71.01378	8.0
72.99262	1.0
73.02934	0.8
75.37461	0.8
85.02935	2.0
87.00877	1.1
89.02433	5.7
94.06583	1.5
101.02426	7.8
113.02418	2.3
118.24907	1.0
119.03473	1.5
121.05335	43.3
122.06116	100.0
124.07684	19.6
125.02454	0.9
136.04039	2.1
150.05614	1.4
153.04329	5.9
166.05106	1.0
167.07127	1.9
188.15492	1.0
197.08243	3.6
202.12372	3.9
217.09839	2.3
224.30373	0.9
228.97839	1.0
229.09796	3.4
243.11414	2.0
245.12962	47.1
271.10809	8.3
289.11935	53.1
289.15173	1.9
315.10110	1.1
333.10950	42.2
359.08707	1.1
359.13428	7.8
361.09958	1.0
361.14975	1.5
405.08902	4.3
405.17279	2.0
405.21478	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	405.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84193	0.3
59.59894	0.3
70.26299	0.3
79.37560	0.3
85.02948	2.7
88.40401	0.4
91.20716	0.3
93.03448	0.4
101.82875	0.3
108.22876	0.4
111.04525	0.5
120.69257	0.3
127.04020	0.5
173.04416	0.4
191.05626	100.0
229.05482	0.4
231.03528	0.4
232.95470	0.4
292.80164	0.3
296.69131	0.4
328.48184	0.3
405.10175	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.75712	0.3
59.01376	1.6
59.28355	0.3
61.85574	0.3
68.21352	0.3
93.18063	0.3
109.02960	0.4
127.97753	0.4
157.06548	0.4
159.04503	1.9
164.40224	0.4
173.06036	0.6
175.07651	2.1
199.07634	1.8
201.05592	5.3
225.05585	2.0
232.70424	0.4
241.05173	0.4
243.06621	100.0
269.13498	0.4
284.69534	0.4
289.13510	0.4
298.55240	0.4
310.12665	0.4
405.07159	0.6
405.12097	12.4
405.17456	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	405.1192
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.12785	0.5
59.01389	7.5
71.01378	2.9
73.02959	0.6
73.72606	0.5
83.18922	0.4
83.66171	0.5
85.02927	0.6
87.21793	0.5
89.02440	3.2
101.02434	2.4
101.06121	0.5
108.02164	3.0
109.02964	0.5
113.02437	0.9
119.03493	0.6
123.04474	3.9
158.03688	0.5
159.04501	3.1
173.06097	0.8
175.07654	2.9
179.03540	0.6
191.78906	0.5
199.07623	2.7
201.05643	6.9
203.03525	0.5
221.04509	0.9
225.05568	2.3
229.13394	0.8
241.04990	1.0
243.06616	100.0
273.07684	1.0
312.06488	0.6
327.08945	0.9
345.09799	0.8
357.09616	0.7
375.06525	0.6
375.10593	3.8
387.10941	4.9
405.11896	20.2
405.17654	12.1
405.25269	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	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11428	6.5
56.78113	6.7
59.01381	35.7
59.70249	7.5
77.20711	8.6
78.48389	7.2
103.68050	7.1
133.62294	8.0
135.04504	49.9
147.04488	10.1
150.03218	16.1
151.55009	8.2
165.05550	19.0
182.05833	40.4
183.06613	9.4
197.08209	100.0
297.09570	8.7
405.14157	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18264	1.9
59.01384	100.0
64.46023	2.3
71.01378	56.9
75.56470	2.2
85.02947	9.6
87.00871	3.4
89.02436	74.7
91.45402	2.2
101.02431	37.2
111.99876	2.5
113.02434	27.8
119.03498	27.1
125.02393	2.8
131.03526	3.5
137.70877	2.2
143.03468	4.5
145.18207	2.2
149.02446	3.1
151.04001	2.5
161.04510	5.2
164.04776	40.3
167.03455	4.8
168.04369	2.5
179.05585	25.6
179.07127	42.4
191.39522	2.6
197.08299	3.2
203.07062	2.6
220.13506	2.3
347.07376	2.8
359.13507	52.4
361.09088	3.4
377.91898	2.1
387.07120	2.7
404.81558	2.2
405.08356	4.5
405.13876	10.6
405.21677	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72169	0.8
67.87926	1.0
71.01395	1.1
85.03004	1.2
87.00909	1.1
88.98789	0.9
101.02436	1.4
107.05017	1.2
113.02452	1.6
124.32452	1.1
134.03763	14.7
135.04530	100.0
147.04535	7.6
161.04562	1.3
165.05583	18.5
167.19582	0.9
297.09830	25.5
313.96634	1.0
327.10709	2.3
353.15289	1.1
365.52310	1.1
394.13806	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	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99715	2.1
53.97931	1.8
55.06072	2.0
55.67468	2.3
56.75516	1.9
59.01382	100.0
61.82661	2.2
66.90499	2.0
78.95901	3.3
89.02419	3.6
96.96957	13.0
101.02460	3.3
101.42238	2.1
111.00854	3.1
111.02019	5.1
113.02452	3.3
119.05007	2.5
128.37714	2.6
135.04492	4.4
150.03220	66.9
153.28200	2.8
165.05573	64.6
179.05594	3.6
183.06651	45.3
191.02036	3.0
285.10605	2.7
313.03473	2.5
345.12033	2.6
405.11481	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33787	8.1
59.01388	100.0
60.82613	9.0
70.96346	7.5
71.00902	8.6
71.01397	17.8
73.02938	17.9
73.99895	7.9
87.87305	9.1
89.02423	35.2
101.02392	9.4
151.04070	12.6
165.05603	10.6
179.05446	9.3
186.08455	9.7
187.69249	9.2
204.77008	9.4
211.71564	8.7
405.06067	56.5
405.11649	14.2
405.16797	66.3
405.20898	30.2
405.25015	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	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.0
64.88949	1.9
71.01393	3.7
72.64256	2.0
73.02947	30.1
93.12002	1.7
101.02470	3.1
125.02459	2.6
129.09216	26.6
134.72093	1.8
139.08394	2.0
149.02394	2.2
155.10759	3.1
157.12376	3.4
164.04895	1.9
165.05505	2.0
196.39694	1.8
243.16248	2.2
267.06677	2.2
270.09192	2.9
285.11395	3.3
327.21945	3.4
331.21445	9.5
343.25034	7.7
345.22797	14.3
357.11612	2.8
384.12442	2.0
405.07068	2.9
405.12381	7.4
405.16812	5.4
405.21243	7.5
405.25238	100.0
410.38629	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59120	8.0
51.40480	9.6
59.01376	60.2
63.57735	8.0
73.02954	11.9
83.30840	10.6
85.02963	11.6
114.38569	9.5
136.48466	9.2
149.88455	9.3
174.17360	9.9
198.12541	9.7
329.10333	10.7
405.16586	76.6
405.25351	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09029	1.5
57.03448	2.0
59.01382	78.8
63.08385	1.4
65.89682	1.3
70.59586	1.4
71.01382	22.0
73.02942	22.4
83.01388	2.0
85.02948	7.4
87.04531	1.6
89.02444	21.6
89.36159	1.7
99.00876	10.6
101.02434	20.0
113.02439	10.3
119.03483	3.6
125.06038	5.8
138.03268	2.5
139.04002	1.9
139.11270	19.3
151.62880	2.2
152.01157	8.9
157.08636	2.1
161.04564	1.9
163.11252	1.7
165.09198	2.0
167.03468	14.3
180.95297	1.7
181.12314	23.7
183.10239	35.6
192.04349	3.3
199.13425	12.8
207.06587	3.9
225.11299	10.4
243.12376	100.0
285.13428	4.0
297.11847	2.6
315.14346	2.1
345.15610	7.4
357.22473	2.1
375.23972	3.2
387.10760	2.0
405.11868	6.4
405.16595	32.4
405.22189	18.5
405.25394	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	405.192
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
57.03457	1.4
59.01388	100.0
60.85283	1.3
61.05143	1.2
71.01374	5.7
72.16323	1.4
72.94961	1.2
73.02934	2.5
77.26603	1.5
78.90173	1.3
85.02947	1.5
89.02421	2.1
89.93639	1.5
95.05006	1.8
97.06564	1.7
105.80888	1.4
107.04984	2.0
109.06590	14.9
121.06575	3.5
123.08155	14.5
128.04924	1.5
133.37581	1.6
135.08160	1.8
143.10776	1.7
147.08096	1.7
149.06050	5.9
150.06830	2.7
155.10760	1.6
157.12341	1.4
163.07617	1.5
175.11221	1.8
180.16612	1.4
181.08733	2.0
193.12299	2.1
211.13382	7.8
225.75981	1.9
241.16058	20.4
243.06514	1.6
265.15982	2.3
283.17035	16.6
286.15726	2.9
300.40396	1.6
301.18045	30.8
309.14258	1.5
327.16119	1.7
343.24823	9.1
345.17023	57.3
345.22772	15.0
405.19305	73.7
405.24982	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.60639	1.2
55.94175	1.3
57.03456	2.2
59.01384	76.8
61.98848	2.1
67.88813	1.2
69.99715	1.2
71.01384	36.4
71.05026	2.6
73.02953	2.4
80.05066	1.2
83.01365	1.6
84.61406	1.4
85.02959	6.9
87.00889	2.8
89.02436	53.5
95.01412	3.3
99.00926	1.4
101.02448	29.0
102.90025	1.3
111.08162	2.0
113.02441	19.5
117.16086	1.5
119.03481	17.6
122.06149	7.4
123.08118	2.1
128.03528	1.7
143.03503	2.5
143.04628	1.9
157.33459	1.3
161.04559	2.4
169.12332	1.6
179.05672	7.7
181.12332	10.6
186.12959	2.3
207.13980	5.9
229.13445	24.1
243.15923	11.2
272.07056	2.0
273.12469	3.0
287.09357	7.5
307.07785	2.7
317.10675	9.0
345.14542	3.1
361.10443	5.5
387.20432	2.6
405.09613	3.4
405.18027	9.0
405.21521	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	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76940	78.6
73.97009	76.0
80.89388	80.5
120.79102	81.4
194.49461	82.1
252.29639	83.8
264.52795	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	405.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
71.01384	5.3
73.02931	2.1
83.01368	1.7
85.02945	3.7
87.00858	0.8
89.02429	1.0
95.01370	0.5
95.51792	0.4
99.00845	0.6
101.02445	6.1
113.02421	3.1
113.25621	0.5
194.59268	0.4
225.18561	0.7
243.19637	41.4
285.20645	0.8
387.23923	2.1
405.24957	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	405.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.7
59.01384	16.2
59.28710	0.5
60.17782	0.6
63.07665	0.6
66.30766	0.5
66.82997	0.5
68.58940	0.6
71.01383	11.2
73.02927	1.2
85.02948	3.5
85.32492	0.6
89.02429	10.7
101.02448	11.3
113.02459	5.3
119.03470	3.5
225.18599	8.4
226.74815	0.6
229.05055	2.7
243.19640	19.7
277.14575	0.6
287.22250	4.6
334.84314	0.8
405.09891	3.5
405.24963	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	405.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93927	0.9
83.05051	1.0
89.16158	0.8
93.03449	1.3
125.08585	0.9
161.78116	0.8
207.17812	0.9
239.16531	4.2
241.18073	3.4
241.32724	0.8
256.98288	0.8
267.19568	1.6
315.26892	4.3
325.25302	3.8
333.28052	1.6
341.24982	1.5
343.26566	3.3
359.26028	3.0
361.27621	1.0
369.24387	3.4
387.25519	5.0
405.26511	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	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90831	1.6
57.03461	2.3
75.29152	1.8
83.01389	4.3
125.02447	100.0
174.89517	1.9
200.27458	1.9
239.66231	1.9
279.23288	4.6
298.86166	2.4
315.85532	2.1
316.15610	2.0
405.26447	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	405.2648
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
59.01348	0.9
59.43671	0.6
59.97663	0.7
60.41257	0.7
60.92806	0.7
63.68850	0.6
83.04991	1.0
83.91799	0.8
93.65138	0.7
97.06509	0.8
99.74461	0.7
108.81144	0.8
133.02750	0.7
135.08116	1.1
151.67755	0.7
187.97882	0.9
211.13422	2.0
211.17018	0.8
213.14958	1.8
225.14769	1.1
239.16544	5.3
241.18018	1.0
247.13602	0.8
252.32005	1.0
315.26935	3.1
320.49548	0.8
325.25482	4.6
333.28159	1.3
341.24905	1.7
343.26431	4.7
359.25925	4.9
361.27686	0.9
369.24316	3.0
387.25433	3.7
405.26480	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	405.2647
Annotation	Acylated phloroglucinol
Peak:m/z	Relative Intensity
58.07975	0.6
59.01389	6.5
62.85807	0.6
80.02686	0.6
80.80856	0.6
81.03461	7.5
83.01399	0.9
122.03746	1.5
125.02435	10.3
151.00394	0.8
319.26385	2.9
321.24359	1.2
343.26367	1.5
361.27487	19.0
387.25818	0.7
405.26486	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	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.37406	0.8
125.02422	2.0
138.52765	0.9
146.02138	0.9
208.34093	1.1
226.81314	1.0
271.22885	1.3
361.27466	2.0
405.26508	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	406.0605
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
59.01351	1.0
61.79591	1.0
61.98843	1.2
67.75038	0.8
70.69473	0.9
79.95744	13.9
85.79072	0.8
100.00400	11.8
107.05023	3.7
119.05015	65.8
131.29268	1.0
134.06128	7.8
138.87738	1.0
145.02968	41.1
156.40500	1.0
159.04507	0.9
162.05573	2.2
163.03990	24.3
180.06679	7.2
199.89059	0.9
202.05806	1.1
206.04634	17.1
209.04579	1.0
210.04903	1.1
214.01819	10.5
243.06628	20.9
244.06947	49.8
282.11386	19.7
334.01694	1.1
356.39352	1.1
362.07108	2.1
406.06085	100.0
406.12146	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	406.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00774	0.7
58.02968	0.9
59.60614	0.7
63.98438	0.7
74.00682	1.0
74.02479	6.6
82.02970	4.6
85.04067	2.0
86.02493	3.9
87.05637	1.5
92.87756	0.8
97.04063	15.2
99.05640	3.4
100.00402	4.5
100.04044	1.0
102.00186	6.5
105.99686	20.6
107.06160	1.4
112.88680	0.9
113.03571	0.9
114.00179	3.8
116.01747	1.9
127.05116	1.7
128.03534	67.6
131.02849	3.5
135.05675	3.4
141.03073	5.6
143.04637	11.7
145.06186	1.2
146.04591	2.0
151.05133	1.6
152.08293	1.9
153.06685	8.7
160.00725	4.7
169.06154	3.8
175.01831	22.3
179.04662	12.1
182.09320	1.7
185.03944	1.0
197.05675	4.8
226.08383	3.6
255.60352	0.9
272.08829	1.8
286.05289	1.2
304.06100	100.0
322.07104	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	406.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88902	0.4
55.01889	0.4
59.01384	1.0
61.98836	100.0
70.32894	0.4
73.37344	0.5
73.75218	0.5
74.02468	0.6
78.74780	0.5
102.74004	0.5
122.05177	0.5
123.67030	0.5
128.03513	1.1
143.04631	0.9
181.08772	2.0
184.63199	0.4
308.07385	0.5
327.56320	0.6
393.79141	0.5
406.17172	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	406.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98837	100.0
71.01369	0.7
74.68565	0.4
87.22160	0.6
88.35372	0.4
89.02448	1.1
109.26071	0.6
117.43909	0.6
122.06169	0.9
128.03522	0.7
143.04646	0.8
187.13275	0.9
229.13510	1.4
230.13731	5.3
274.12766	0.9
308.07477	1.0
339.21692	0.5
362.10645	3.0
406.09573	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	406.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49252	0.6
56.70341	0.6
60.03243	0.6
61.98837	100.0
85.82486	0.7
89.33350	0.6
92.19388	1.6
94.64269	0.8
104.67241	0.6
143.69279	0.7
193.27867	0.7
348.20328	0.8
403.59567	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	406.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43023	0.9
59.01382	2.2
59.71367	1.0
61.98833	22.6
70.13550	1.0
72.12910	1.0
74.52693	0.9
92.20100	2.0
119.05051	1.6
135.08105	1.3
162.03029	1.2
165.09195	24.1
177.05571	4.0
179.07159	1.1
228.97459	1.0
230.05400	1.2
269.26437	0.9
325.14484	30.0
343.15540	100.0
406.05737	2.4
406.25293	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	407.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.0
65.74889	0.5
71.01374	3.5
73.02928	0.6
81.96051	0.4
83.01369	0.5
85.02950	1.1
89.02426	3.3
95.05038	0.5
101.02426	3.9
109.02947	3.5
109.27628	0.6
113.00697	0.5
113.02428	2.2
119.03471	0.9
123.04514	3.8
124.94486	0.5
125.02420	2.3
151.04010	2.5
165.09215	2.5
175.03983	3.3
199.04012	1.0
211.03868	1.1
213.05585	2.1
214.02827	0.8
225.05565	0.8
227.03508	3.2
228.04256	4.4
237.05574	0.6
242.02194	2.1
243.02974	9.5
253.05093	2.3
255.02997	36.3
256.03790	33.1
257.04663	6.6
269.04550	4.9
281.04553	7.1
282.01898	1.9
283.02472	8.8
284.03302	1.1
285.04056	9.7
288.02710	1.8
297.04126	3.9
297.07297	0.6
298.04880	1.1
333.07880	0.6
339.08649	1.1
345.15756	2.3
347.17050	1.0
363.08621	0.8
363.16327	0.7
389.06833	1.6
407.07755	100.0
407.15320	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	407.0773
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
68.00484	0.8
71.01375	0.8
109.02918	3.0
113.97701	0.8
123.04515	5.2
125.02434	1.7
126.96616	0.8
139.04048	0.9
151.04045	1.2
175.03990	1.8
183.45032	0.8
187.04030	1.0
212.64091	1.0
213.05540	3.1
225.05557	1.0
227.03442	4.1
228.04318	3.7
242.02176	1.0
243.02983	10.6
253.05124	3.4
255.02972	33.0
256.01172	1.6
256.03766	34.7
257.04474	8.2
269.04596	5.1
280.03687	1.1
281.04556	6.5
282.01822	3.2
283.02463	8.1
285.04065	11.8
288.02719	1.6
297.04034	3.8
368.01181	1.0
389.06625	1.3
407.07730	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	407.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05402	0.6
59.01376	2.4
62.82559	0.6
64.60092	0.6
80.91682	0.7
81.86691	0.6
84.50277	0.6
89.68848	0.6
92.20063	1.5
102.29900	0.6
109.02924	3.4
109.10535	0.7
123.04500	3.7
125.02416	3.9
151.04016	2.5
171.76369	0.7
175.04002	2.7
177.01929	3.8
199.04025	1.0
201.05592	0.7
211.04068	1.4
213.05486	2.9
214.02539	0.7
227.03445	2.9
228.04271	4.1
242.02155	1.1
243.02960	10.6
253.05072	1.5
255.02997	37.4
256.03781	36.4
257.04547	9.9
269.04523	4.6
281.04526	7.8
282.01764	2.7
283.02539	5.1
284.03287	2.6
285.04013	10.4
297.04028	3.9
297.07388	1.0
298.04797	0.7
363.08939	0.7
389.06427	2.6
407.07721	100.0
413.05472	0.6
420.83972	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	407.0773
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
76.31202	0.8
97.32427	0.8
101.08421	0.9
109.02937	2.1
109.34605	0.9
111.39567	0.9
123.04535	1.9
125.02396	1.2
143.60127	0.9
170.69583	0.9
175.04041	1.6
201.05656	1.1
211.03947	1.9
213.05602	1.7
215.03662	1.0
227.03511	4.2
228.04221	2.1
243.03011	11.5
245.04529	7.2
251.58228	1.0
253.05066	1.8
255.02991	35.6
256.03769	27.5
257.04608	9.2
269.04532	4.8
281.04517	6.2
282.01688	1.7
283.02386	8.3
285.03940	9.2
297.03925	1.6
324.85831	1.1
389.06793	1.8
407.07748	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	407.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82515	0.6
59.01379	4.0
60.26459	0.6
64.36656	0.8
66.06096	0.7
71.01364	0.8
74.85184	0.7
87.00922	0.8
109.02934	3.7
123.04523	3.2
125.02390	1.7
151.04028	1.8
175.03987	3.2
176.09058	0.9
182.23242	0.9
199.04031	0.9
211.04095	1.3
213.05515	3.2
215.03488	0.7
227.03505	4.0
228.04276	3.4
241.05054	1.3
242.02255	1.1
243.02959	13.9
253.05122	2.8
255.03006	42.4
256.03775	34.8
257.04630	8.2
269.04575	6.3
271.09830	1.2
281.04581	7.4
282.01743	3.1
283.02478	7.4
284.03448	1.3
285.04108	10.6
288.02744	2.6
297.04080	4.2
321.07983	0.9
339.08578	1.1
363.08774	0.8
389.06796	1.4
407.07776	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	407.0774
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
59.01377	2.4
71.01372	0.8
73.02954	1.2
89.02465	0.7
92.19392	1.4
109.02979	1.2
114.20457	0.6
118.40283	0.6
123.04517	3.5
125.02419	2.4
137.02524	0.6
149.02515	0.8
149.14752	0.5
150.03261	0.5
151.03969	2.3
175.04013	2.8
177.02084	0.6
199.03995	1.2
201.01984	0.8
211.04079	2.0
213.05553	2.1
214.02713	1.0
227.03471	3.1
228.04280	3.6
242.02162	0.8
243.03011	11.0
253.05061	3.8
255.02995	37.3
256.03772	32.9
257.04614	7.5
269.04590	4.8
280.03906	1.0
281.04538	7.7
282.01645	3.4
283.02484	7.2
284.03323	1.2
285.04065	11.7
288.02786	1.0
297.04108	4.3
298.04721	0.8
339.08487	0.9
389.06464	0.9
407.07751	100.0
407.19086	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	407.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47630	0.9
62.75620	0.7
65.44301	0.8
65.98457	0.8
100.27130	1.1
109.02937	4.0
123.04478	3.5
151.03966	1.7
213.05513	3.3
227.03511	6.0
228.04239	4.3
243.03012	14.4
245.38327	1.0
255.03001	45.3
256.03769	30.0
257.04590	13.2
269.04642	7.8
277.64059	1.1
282.01846	3.2
283.02515	9.8
284.03619	1.4
285.03986	15.4
297.04010	4.9
356.98978	0.9
370.18054	1.0
389.06677	1.2
407.07742	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	407.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98871	0.9
59.01383	0.9
109.02955	3.4
113.89159	0.9
114.96860	0.8
123.04507	5.4
143.87054	0.8
151.03996	4.4
175.03868	1.1
213.05635	2.0
215.03584	0.8
227.03465	7.2
228.04279	4.9
242.02219	1.3
243.03014	18.1
255.03009	55.0
256.03830	30.9
257.04587	14.4
269.04584	9.7
282.01685	4.4
283.02524	10.7
284.03375	1.1
285.04074	16.0
288.27225	0.9
297.04065	6.1
389.06693	1.3
407.07751	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	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00243	4.3
59.34716	3.8
59.68983	3.5
60.42219	4.9
67.99379	4.4
75.10984	4.4
88.68034	4.7
92.55398	4.4
93.03458	18.3
95.15723	4.6
106.35173	4.5
109.02950	19.6
120.88493	5.3
121.02163	7.6
121.02962	100.0
121.21981	5.1
122.03738	26.9
123.04524	39.8
139.04076	6.3
146.03787	5.7
149.02425	8.6
149.06023	9.6
150.03201	41.3
151.04070	7.8
164.04759	8.4
164.07872	4.2
165.01921	63.7
165.05545	38.2
166.02702	60.3
167.03526	33.2
177.05540	6.2
179.07143	10.7
209.04558	59.9
212.06894	8.1
213.07695	24.9
239.03421	5.0
239.05563	33.4
255.02936	6.4
256.03754	7.3
259.01672	4.8
281.04337	5.3
315.08902	6.1
345.09814	8.5
407.09509	48.2
407.13794	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	407.1003
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
59.01389	1.4
70.75723	0.4
71.01379	0.8
73.08488	0.4
75.00871	5.8
78.03043	0.4
84.03896	0.4
85.02952	3.7
89.02451	0.6
92.20046	0.6
93.03436	1.1
101.02425	1.0
103.00378	4.7
111.00890	6.1
111.04530	0.5
112.98785	2.2
113.02425	0.7
115.00309	0.5
129.01950	3.3
137.02460	0.8
151.84764	0.5
168.99934	1.1
173.00966	1.0
173.04572	0.7
184.97636	0.6
191.05667	3.8
195.05132	1.9
199.04147	3.5
210.03694	0.7
212.98882	0.7
217.05255	10.5
228.96666	0.7
249.00270	0.5
259.06250	0.7
267.01285	5.1
274.98114	3.1
289.03745	9.0
289.07208	2.0
292.99240	3.3
302.04459	0.5
318.97113	4.3
319.36377	0.5
344.95151	2.8
362.96066	0.6
404.42874	0.5
407.10071	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	407.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86023	1.4
59.01387	45.4
68.18882	1.4
71.01389	32.8
73.02959	11.4
83.01388	2.8
85.02958	14.4
89.02457	18.6
95.01386	2.0
96.09483	1.7
101.02447	36.7
109.02993	1.9
111.00902	1.7
113.02457	17.7
119.03486	3.8
129.01924	2.0
161.04547	2.9
179.05710	2.3
183.10226	5.9
199.04031	1.6
201.99435	1.7
216.00688	2.6
243.02885	6.8
253.05037	2.0
255.03035	22.3
256.03802	22.4
257.04529	3.4
281.04636	2.2
283.02332	5.4
285.04178	3.4
297.04102	2.7
333.15576	3.3
345.15543	30.5
347.17224	3.7
363.16730	8.8
389.14508	3.0
407.07651	53.9
407.15598	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	407.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26181	4.6
52.75437	4.3
59.01386	58.0
68.60651	5.3
69.54507	5.2
70.60864	5.3
71.01373	9.2
75.00868	5.0
75.22158	4.6
76.53921	5.3
85.02966	7.1
89.75295	4.9
99.00848	5.5
101.02445	12.0
110.19272	5.2
172.68819	6.1
174.65248	5.4
176.04768	10.6
177.05594	6.9
181.08733	65.6
185.11774	7.4
187.24336	6.0
209.08176	20.9
215.16273	5.2
221.08171	10.2
222.08916	10.2
407.13614	6.2
407.20825	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	407.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99859	0.7
59.01386	100.0
71.01386	3.7
91.78833	0.8
95.05039	1.1
103.06333	0.8
107.04989	0.9
109.02978	1.1
113.02470	1.6
113.33696	1.1
114.74695	0.9
121.02996	1.1
123.04582	1.5
135.04549	1.1
149.09657	1.2
151.04051	0.9
177.12881	4.2
185.11839	1.5
209.08199	24.2
215.16414	1.4
219.28651	1.0
242.05786	1.4
255.13986	1.1
271.13647	1.0
299.16486	2.0
309.25156	0.9
311.16525	1.9
329.17566	9.6
345.22894	1.1
362.08136	4.0
371.13580	6.1
377.10339	5.8
377.21414	1.1
389.19711	20.8
407.07431	5.8
407.12173	1.9
407.21936	8.1
407.27512	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	407.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39428	1.1
59.01392	9.9
71.01383	1.6
74.32237	1.1
84.65237	1.2
88.02135	1.2
88.12043	1.2
89.02449	1.4
93.30504	1.1
101.02452	1.3
109.06615	1.1
119.05053	1.7
122.03724	2.0
135.04572	1.4
149.06068	2.4
159.04507	7.7
162.03200	6.2
163.03986	5.9
163.11287	1.2
173.06042	1.3
176.04808	7.1
177.05577	9.9
181.08708	68.8
185.11826	14.9
191.07079	1.3
195.10268	1.5
207.10254	2.8
209.11832	2.3
212.35786	1.3
220.07281	1.3
221.08183	14.3
222.08984	15.4
235.09668	2.1
347.18555	1.3
389.19965	1.7
407.06461	5.5
407.20789	100.0
407.25592	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	407.244
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
60.48225	0.3
67.48600	0.4
72.84706	0.4
87.67365	0.4
87.68014	0.4
116.75155	0.5
125.02435	0.8
155.29929	0.4
156.98059	0.5
205.76811	0.4
265.21741	0.4
289.21829	2.6
301.46835	0.4
313.21890	0.6
320.45786	0.4
326.89120	0.4
331.22745	5.8
357.20724	0.8
375.21799	100.0
407.24341	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	407.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19750	0.3
51.65462	0.4
53.84507	0.4
77.12986	0.4
78.57339	0.6
92.19492	0.6
93.66373	0.5
103.54454	0.4
109.37882	0.5
116.37395	0.5
122.04986	0.5
125.02418	1.9
200.88918	0.5
289.21710	2.0
313.21585	0.6
331.22842	6.4
348.00244	0.5
357.20834	0.5
375.21799	100.0
407.24359	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	408.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	5.7
71.53432	3.6
97.79450	3.9
109.66071	3.8
119.10518	4.5
181.61443	4.3
186.18506	4.6
222.66547	3.9
315.15958	15.1
345.17068	100.0
408.07825	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	409.0966
Annotation	Shogasulfonic acid C
Peak:m/z	Relative Intensity
59.01386	9.1
59.64096	0.5
79.95722	5.9
80.96513	3.2
96.96004	100.0
108.38238	0.5
225.63843	0.6
227.45090	0.6
253.12379	0.8
264.07925	2.8
269.75909	0.6
279.10593	0.9
281.11899	1.3
348.32285	0.6
409.09668	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05901	1.7
52.91395	1.8
59.01371	10.1
64.49957	2.1
71.01318	2.2
79.98936	2.3
83.01385	39.9
89.04686	2.2
90.72662	2.2
105.16148	2.2
121.02971	3.8
122.03757	5.4
123.04508	9.6
137.02434	10.5
137.06062	5.7
139.03960	2.6
151.03983	15.1
165.75626	2.7
173.04625	3.1
194.50064	2.3
207.06659	3.2
221.08131	9.3
272.84344	2.5
358.10519	11.8
373.12973	100.0
402.42221	2.7
409.18951	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	409.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05680	0.3
52.12668	0.3
59.00153	0.3
64.98875	0.3
65.77164	0.3
82.20525	0.4
97.23499	0.3
143.10890	0.4
192.01662	0.4
195.59253	0.4
279.40390	0.4
289.90097	0.4
323.12842	0.5
329.17596	100.0
409.13266	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
65.30237	1.8
67.26131	1.7
92.19762	2.3
103.82133	2.1
109.02956	2.7
113.44021	1.8
121.02886	2.0
131.72466	1.9
137.02351	2.3
149.02444	15.2
150.03226	37.9
152.22945	2.0
153.05775	2.3
164.04744	4.5
165.01944	41.3
165.05563	63.0
167.03508	30.1
167.33296	1.9
168.04306	4.3
180.04282	19.3
182.05904	3.1
183.06638	3.8
190.95189	2.2
195.06665	4.0
197.04533	4.4
198.05367	12.0
212.06915	9.2
213.07648	12.6
221.06026	2.6
221.17706	2.1
237.05518	7.0
239.07129	17.2
251.07068	3.0
257.08185	12.1
266.05658	2.7
269.08258	7.7
281.08228	22.2
285.07770	9.1
286.08514	10.9
287.09344	2.9
298.08466	8.6
299.09192	18.0
301.10785	13.2
313.10977	4.3
314.07980	2.2
329.10245	10.3
346.10568	9.9
347.11597	3.6
349.12860	4.5
361.12930	52.7
391.14047	13.1
409.15079	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
62.29264	0.8
71.01381	3.5
73.10345	0.8
76.03112	0.9
80.24992	0.9
85.02960	1.0
88.97367	0.8
88.98773	1.0
89.02441	1.1
90.36544	0.9
96.94086	1.0
101.02447	1.9
101.03510	0.8
113.02453	1.7
114.99513	0.9
119.03460	1.1
121.02908	1.1
122.03729	2.1
125.02445	1.0
137.02399	1.5
149.02412	15.1
150.03217	44.6
151.04068	1.8
164.04778	14.2
165.05562	100.0
166.41782	1.0
176.04645	5.7
180.04318	3.9
195.06636	12.4
196.40286	1.1
213.07654	1.9
277.12982	1.1
285.07596	5.6
286.08438	10.0
301.10754	11.8
305.08966	5.0
349.07870	4.6
349.18820	1.6
361.08749	1.9
361.12958	35.8
366.93375	0.9
391.08853	1.2
394.78720	0.9
409.10159	1.3
409.15219	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	409.1506
Annotation	Iandonone
Peak:m/z	Relative Intensity
53.00161	2.3
54.88481	2.8
59.01385	15.1
67.82439	2.4
71.01384	4.2
87.04501	3.5
87.52563	2.4
87.60622	2.3
87.90236	2.6
88.98796	20.1
91.47119	2.3
92.20291	4.3
97.02987	2.6
97.06585	3.0
111.30344	2.5
119.64971	2.6
122.03767	4.8
123.04450	4.0
125.06094	40.3
133.07405	2.8
136.05313	19.1
137.02454	9.3
137.06030	3.5
139.07678	10.1
141.05594	6.6
141.09204	53.5
151.07599	11.4
163.07635	5.0
164.04771	54.0
167.07123	14.5
175.07603	5.3
177.09210	15.2
179.07138	50.2
181.08699	13.4
205.08652	3.3
231.20027	3.9
270.12656	5.4
285.14893	11.8
288.13596	6.1
297.72635	2.8
303.16052	35.4
321.17291	3.6
329.13879	4.4
347.14941	27.8
365.16235	24.8
409.09958	7.1
409.15134	100.0
409.20422	9.3
432.69766	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49218	2.3
59.01385	25.7
68.93605	2.6
72.02171	6.1
87.04501	3.3
92.70213	3.0
97.06581	12.4
98.03732	10.9
107.05033	3.9
111.00875	6.4
113.06071	4.8
122.03784	5.7
125.06084	40.9
135.04529	13.8
135.08203	4.8
136.05296	42.9
137.06084	6.0
139.07646	18.4
141.05574	25.7
141.09229	96.0
148.05327	3.5
149.09703	4.2
150.06834	4.0
151.07607	24.2
153.09198	5.5
161.09674	5.4
162.06992	3.5
163.07660	17.4
164.04791	100.0
165.09218	3.2
167.07138	18.8
175.07661	17.3
177.09193	18.8
178.06310	4.4
179.07135	79.7
181.08723	31.4
185.08183	10.7
187.07683	3.8
189.09244	3.1
193.08728	4.8
205.08733	3.8
215.10826	6.3
227.07108	3.9
234.08913	3.4
242.09473	13.9
253.41068	3.7
257.15466	3.4
259.16852	3.9
260.13950	3.1
270.12622	37.9
285.15015	49.9
288.13754	7.1
303.16049	81.2
321.17105	16.7
329.13934	15.4
347.11383	4.6
347.15109	78.5
365.16168	28.0
409.15240	34.1
409.20154	5.3
426.39294	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	409.1508
Annotation	Eupalinilide I
Peak:m/z	Relative Intensity
50.44158	1.0
66.51406	1.1
109.60495	1.1
125.02434	1.1
144.85452	1.1
150.09363	1.0
238.06363	1.4
270.08807	1.9
281.08255	10.2
283.06119	3.7
284.06873	1.3
286.08655	1.4
295.09799	1.3
298.08502	23.7
299.09262	53.4
301.07175	2.1
303.08899	1.2
313.10822	15.1
316.09448	4.6
318.11014	3.9
329.10260	7.0
331.08292	21.7
346.10611	50.7
361.12958	100.0
391.13907	9.7
409.15085	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1507
Annotation	Eupalinilide I
Peak:m/z	Relative Intensity
54.32070	1.7
55.00431	1.3
59.01384	15.7
80.21589	1.4
117.23212	1.8
118.41665	1.7
120.02142	1.8
121.02888	1.5
135.04543	2.0
137.02428	3.3
140.31935	1.7
149.02448	10.6
150.03235	32.4
164.04762	3.9
165.01913	49.0
165.05553	49.7
165.06923	2.3
167.03490	21.1
168.04259	6.0
179.03499	3.0
180.04292	30.7
182.05870	2.4
183.06602	10.5
195.06682	2.3
197.04614	3.4
198.05324	9.9
209.06018	1.8
212.06894	10.0
213.07637	14.0
237.05542	3.0
239.07161	17.3
251.07094	3.7
255.06561	1.8
257.08170	7.9
266.05908	2.6
269.08167	6.6
281.08160	23.3
283.06140	1.9
285.07675	6.4
286.08496	11.0
287.09210	3.5
298.08401	7.5
299.09305	14.0
299.14917	1.6
301.10880	10.9
313.10800	7.8
314.07907	2.3
319.11282	1.9
329.10345	12.3
346.10703	10.4
347.11496	1.8
349.12991	6.9
361.12964	69.7
391.14108	16.2
409.15088	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	409.2002
Annotation	andiconin
Peak:m/z	Relative Intensity
53.88517	7.4
59.01385	96.8
60.55410	8.1
61.98845	11.3
85.02950	45.1
100.59851	9.0
111.00885	78.4
112.91325	8.7
120.69407	8.5
212.61443	9.9
365.16385	12.7
409.19934	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13062	0.7
55.01878	2.2
57.03450	1.3
59.01383	24.8
59.15699	0.8
68.27098	0.8
71.01382	25.5
72.99331	1.9
73.02948	17.2
81.39425	0.8
83.01387	6.7
85.02941	13.8
89.02441	5.3
92.20026	1.5
95.01365	0.9
95.24999	1.0
97.02949	1.2
99.00863	6.1
101.01803	1.8
101.02441	40.2
109.02971	1.1
112.87426	0.8
113.02443	14.8
119.03506	1.0
125.02442	3.7
143.03482	0.9
147.02094	0.9
156.86740	0.9
159.03001	1.4
161.04556	6.5
161.23514	1.0
201.29076	1.0
277.16534	26.9
277.19409	1.2
289.07202	2.0
409.20825	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	409.2233
Annotation	Rhodojaponin II
Peak:m/z	Relative Intensity
57.03445	2.0
76.43511	0.8
81.03460	5.3
83.01385	3.6
91.94270	1.0
92.20058	0.8
109.57330	0.9
125.02441	100.0
133.13840	0.9
138.36253	0.8
141.01137	0.8
161.15097	0.8
221.19070	3.6
239.20192	9.3
244.82716	0.8
257.69705	0.8
265.18134	3.3
279.23096	1.0
281.21198	16.4
283.19171	1.4
299.22116	1.1
305.21158	0.8
323.22299	7.8
329.17599	42.0
329.21237	3.1
365.23401	1.6
409.13925	15.5
409.22321	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	409.2232
Annotation	Dendronpholide F
Peak:m/z	Relative Intensity
50.06879	0.8
59.01381	4.5
69.43105	1.2
71.31840	0.9
73.10168	0.9
78.98796	1.1
125.02415	2.5
145.66235	1.5
152.99561	2.3
261.22131	1.3
267.50620	1.2
285.22266	18.4
287.20145	1.9
303.23331	17.2
305.21198	7.2
321.24326	6.2
329.21210	66.4
347.22244	41.6
365.23334	100.0
373.20319	2.3
391.21378	5.2
409.22321	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2234
Annotation	Nigakihemiacetal A
Peak:m/z	Relative Intensity
50.94382	0.6
52.45733	0.5
57.03445	1.3
59.01381	1.1
69.84539	0.6
79.09948	0.5
81.03461	7.3
83.01386	1.5
83.05016	0.7
99.08133	3.2
109.06554	0.7
125.02438	43.3
125.09711	0.9
129.09192	2.6
165.12788	1.1
169.12379	1.1
192.55769	0.7
235.13461	5.9
252.12950	0.7
346.56927	0.7
365.23438	0.9
367.21402	1.1
409.22360	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	409.2233
Annotation	Briarellin M
Peak:m/z	Relative Intensity
50.10368	0.7
57.03443	4.0
72.54661	0.9
81.03452	7.4
83.01391	2.0
90.30642	0.8
96.91311	0.7
97.14512	0.8
99.08128	1.6
109.06578	1.4
125.02443	40.5
125.09705	1.3
127.07680	0.9
129.09215	1.2
133.54100	0.9
152.99576	1.2
169.12401	1.1
182.55835	0.8
220.72174	0.8
227.09079	0.8
235.13409	4.9
247.46451	0.8
365.23260	0.9
367.21194	1.2
409.22351	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	409.2236
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
50.93221	1.3
59.01386	100.0
61.03147	1.4
71.01392	3.0
78.38445	1.4
83.00051	1.4
84.22421	1.7
95.05003	1.9
112.90494	1.4
121.61882	1.6
123.08187	6.6
125.06071	3.6
135.08197	2.6
137.06084	7.6
165.09198	3.8
172.87302	1.5
179.10751	3.7
221.11839	12.7
247.13333	3.4
257.00897	7.4
275.16504	2.4
293.17618	7.7
313.54413	1.6
331.19159	2.4
349.20248	10.8
409.09329	2.5
409.17783	1.7
409.22482	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	409.2233
Annotation	Rhodomollein XII
Peak:m/z	Relative Intensity
51.71090	1.2
59.01385	100.0
74.67417	1.1
96.72643	1.2
126.30305	1.6
132.23936	1.1
158.16241	1.2
161.62454	1.2
168.39938	1.1
221.11736	1.3
312.47150	1.2
349.20255	6.3
409.22375	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	411.1065
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
51.52656	4.7
59.01378	22.4
62.32344	5.5
71.01365	22.9
73.87466	5.3
75.90676	5.1
89.02431	22.6
101.02475	5.6
110.47416	5.5
145.02946	6.2
162.03192	6.3
186.41170	5.8
213.07803	5.8
250.99406	5.5
329.54196	6.2
357.11975	6.6
375.13025	13.6
411.10684	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	411.1065
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
51.81053	3.1
55.71675	3.7
57.75668	3.5
62.77435	3.6
72.25854	3.7
138.91983	4.1
150.03223	7.5
164.04752	8.0
165.05547	71.4
176.99196	5.2
195.06596	25.6
327.10938	28.0
375.12466	5.2
411.10623	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	411.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28346	4.0
53.86343	3.9
56.30907	4.3
59.01363	16.6
70.20432	4.4
71.13606	4.5
97.03008	5.3
101.02450	5.7
109.02930	27.3
115.99618	4.9
121.02942	81.9
123.04549	21.6
125.02439	21.4
137.02470	6.0
139.03931	6.1
145.02940	5.4
162.98691	5.9
179.03432	6.6
203.07216	10.1
205.05046	11.3
221.08211	7.1
229.51117	6.1
245.08104	12.5
273.60654	6.0
289.07172	100.0
294.38025	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	411.1299
Annotation	Dracunculifoside J
Peak:m/z	Relative Intensity
55.01871	3.3
55.72626	1.4
57.03462	2.6
59.01106	2.0
59.01386	46.4
63.00298	1.4
71.01378	27.0
73.02952	13.9
77.25829	1.5
83.01378	12.6
85.02941	19.2
92.19405	5.5
101.02443	32.2
113.02425	11.9
122.56870	1.8
135.04568	2.3
150.03288	2.4
161.04567	3.4
161.79062	1.6
183.95418	1.9
224.38036	1.7
234.02182	1.5
234.68874	2.0
248.29391	1.7
321.11078	2.2
351.21609	2.0
367.14063	11.4
411.13000	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	411.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16980	0.7
54.95239	0.7
55.70570	0.6
59.01383	6.4
59.48048	0.8
60.17999	0.6
71.01376	1.7
72.02174	3.1
72.28412	0.7
72.99309	0.8
74.34344	0.7
75.35369	0.8
77.21077	0.7
89.02431	1.6
99.04543	0.9
100.89072	0.8
109.02968	1.1
111.00876	1.2
119.05019	59.6
123.04507	4.1
124.73549	0.9
125.02480	1.4
125.06077	12.8
141.09221	18.1
145.02939	5.3
163.04013	100.0
167.07153	4.7
179.74945	0.8
181.08755	3.3
187.11324	6.8
235.09903	0.9
245.08073	1.2
249.07697	4.9
249.14680	0.9
289.07278	2.8
323.18622	1.0
325.09256	9.3
349.16620	1.5
367.17828	3.2
409.40396	0.9
411.12341	9.5
411.17422	2.4
429.21841	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	411.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27661	1.1
59.01384	33.3
71.01375	17.6
73.02969	1.5
79.56129	1.4
85.02930	2.9
85.06589	6.2
88.01566	1.5
89.02444	21.7
101.02450	22.3
113.02444	13.1
113.06065	3.0
119.03477	9.8
121.05094	1.4
125.02392	1.8
127.07603	1.4
131.07137	89.0
135.02995	22.4
143.03510	1.4
145.08710	3.1
173.08107	2.5
215.11285	1.3
283.10278	3.1
293.12439	100.0
300.26669	1.3
303.17316	1.2
411.15060	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64496	12.6
59.01358	10.5
64.74950	11.4
70.03703	10.6
71.87918	10.3
73.02960	17.5
101.02449	10.7
103.66631	10.7
113.02326	12.2
122.54060	12.4
249.14937	21.4
359.11154	11.5
367.24387	12.0
411.15079	37.6
411.20190	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	411.1665
Annotation	Brucein E
Peak:m/z	Relative Intensity
51.55858	1.0
53.37004	1.3
57.03456	1.9
59.01102	2.2
59.01387	59.4
70.22663	1.2
70.66626	1.2
71.01369	4.6
72.88756	1.1
73.02948	2.4
83.05034	2.7
85.02946	15.4
87.00882	1.9
94.53143	1.3
95.05003	6.5
97.02897	1.5
109.02950	2.0
109.06615	1.5
111.04490	2.2
113.02422	8.0
113.06062	2.7
120.79095	1.2
122.03712	2.1
123.04527	2.4
123.08179	5.5
135.08174	1.6
137.06093	2.3
137.09695	10.9
147.08115	8.6
149.06052	2.4
149.09709	1.8
151.04030	2.8
159.08156	5.1
161.09685	1.3
163.07607	2.0
165.09212	12.9
168.01216	1.2
173.06023	1.5
173.09683	16.8
175.07666	2.4
177.09146	4.8
189.12903	2.9
191.07164	23.2
199.11343	16.0
201.09299	2.1
202.09973	1.8
203.07175	17.7
209.08183	25.6
215.10826	2.2
217.08809	20.3
217.12326	63.5
219.06541	1.6
219.13896	2.1
221.08121	1.9
233.11905	14.4
235.13370	2.1
243.10184	1.8
247.09708	2.8
259.09589	3.0
259.13605	1.9
261.11334	84.1
275.12949	2.4
283.11832	2.7
287.12885	2.4
301.14423	2.1
309.13516	9.5
313.14536	1.7
319.15543	5.1
351.21655	8.8
353.12332	5.3
365.15930	1.8
367.17694	26.7
411.16629	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	411.2028
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
54.99804	0.8
55.01894	3.4
57.03452	1.6
59.01102	1.9
59.01386	40.5
59.57161	0.8
71.01380	38.0
73.02947	13.4
75.33297	1.1
77.55330	0.9
83.01389	9.7
85.02952	22.3
86.22883	1.0
89.02430	9.6
95.01378	3.7
99.00869	4.7
101.02441	41.0
113.02445	22.3
119.03479	1.7
127.60244	1.0
143.03418	1.0
159.02988	1.8
161.04518	13.8
176.03317	1.0
191.38095	1.0
249.14973	49.1
344.62524	0.9
411.20261	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	411.239
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
50.56215	0.8
52.44965	0.8
56.88842	0.9
59.01387	100.0
59.61336	0.8
61.40320	1.1
80.83721	0.9
92.20153	1.7
92.97118	0.8
117.92826	1.0
190.87425	1.1
317.74881	1.0
411.24127	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	411.2391
Annotation	GRAYANOTOXIN I
Peak:m/z	Relative Intensity
57.03438	3.6
59.01375	0.8
72.71159	0.6
77.25500	0.7
77.26017	0.6
81.03444	6.9
83.01381	0.9
109.06568	1.2
125.02448	34.0
129.09229	2.9
139.07637	0.7
159.10228	1.5
227.35437	0.6
235.13432	1.4
235.20627	0.8
240.27246	0.7
249.82570	0.6
285.20728	1.5
325.23892	0.9
349.23776	1.0
365.23386	1.3
367.24884	3.1
411.23904	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	3.3
63.96460	2.9
81.03430	3.5
81.76592	3.1
83.05024	6.4
90.20278	3.3
93.03449	79.7
93.63336	3.7
111.04514	34.9
132.07811	3.7
137.02444	100.0
155.03491	86.1
255.23199	33.1
411.27637	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
79.68864	1.3
82.70377	1.2
114.32191	1.4
116.07353	1.2
128.02838	1.4
212.89281	1.3
395.89633	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.44932	6.8
77.24249	6.8
81.03497	11.5
81.79451	6.2
81.94860	6.0
83.64130	6.2
109.74229	6.6
122.07150	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	412.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24045	2.3
53.92900	2.2
60.44600	2.3
66.80434	2.9
72.98638	2.6
98.70990	2.4
99.92587	38.7
100.93370	28.0
109.93379	23.3
115.92078	43.5
116.92854	100.0
125.92850	3.7
177.23471	2.6
255.72064	2.4
268.04004	3.4
305.12189	5.0
337.11053	5.8
349.11035	4.4
367.12064	23.2
376.12140	50.0
381.10037	3.9
394.13193	11.9
408.11429	3.7
412.14368	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.9
61.53720	0.8
61.98819	1.8
62.53230	0.8
63.42374	1.0
69.03457	1.8
71.01375	17.1
71.22154	0.8
72.99287	1.1
73.02934	1.0
78.26769	0.9
85.02935	5.0
85.06573	1.8
86.06108	18.2
87.04508	37.8
89.02434	13.6
92.20126	1.6
95.01383	1.3
100.51445	0.9
100.71793	1.0
101.02439	9.4
113.02431	3.8
118.06623	5.3
119.03456	1.1
119.05018	42.4
119.05863	1.9
141.69923	1.1
144.04576	12.2
162.05547	6.6
163.04004	1.2
176.10788	1.0
188.10797	6.4
204.10280	3.9
232.09796	15.8
250.10831	3.7
296.35019	1.1
352.21494	1.1
396.62018	1.1
412.16144	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.6
59.01385	29.7
71.01382	17.7
72.60283	1.1
72.72388	1.0
73.02936	7.4
83.01366	2.2
85.02943	12.3
88.11651	1.2
89.02436	12.2
97.02953	1.7
101.02422	13.9
113.02446	8.7
113.06062	2.0
115.03996	35.0
119.03472	1.7
123.04514	1.6
125.02463	1.5
137.06047	1.9
174.01637	6.6
192.07776	1.4
218.05869	2.2
219.06575	2.0
233.08232	2.3
242.99095	1.2
251.09253	16.9
369.15469	1.5
413.14502	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	91.7
59.01097	4.2
59.01388	100.0
60.61160	2.2
71.01391	21.0
73.02952	9.9
75.52307	1.9
75.82209	2.0
85.02929	4.1
92.20046	2.7
99.04524	78.9
101.02443	35.3
113.02435	14.7
121.02957	4.5
125.02441	26.9
135.04541	3.8
143.03517	2.7
161.04555	12.1
175.70535	2.8
250.31578	2.8
269.10226	20.6
277.06546	2.4
311.11230	3.6
410.52267	2.5
413.14410	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70821	2.2
57.39549	2.3
59.01106	5.7
59.01387	100.0
66.66002	2.4
71.01385	65.7
72.51537	2.6
73.02948	42.3
73.66320	2.4
82.69229	2.8
83.01373	4.8
83.46043	2.4
85.02948	32.6
87.04494	3.3
89.02437	56.4
96.96032	3.7
98.90837	2.7
101.02439	65.7
103.04042	28.2
113.02456	40.8
117.05585	38.7
119.03510	20.1
133.05070	23.1
143.03448	2.6
151.06122	31.3
153.01930	5.1
161.04518	6.8
175.04019	3.8
175.06151	10.3
194.46664	2.6
200.45520	2.7
219.89990	2.6
242.04735	2.6
295.10367	84.1
297.11923	4.5
313.11401	15.0
355.12473	36.8
413.11273	5.9
413.16656	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	413.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70821	2.2
57.39549	2.3
59.01106	5.7
59.01387	100.0
66.66002	2.4
71.01385	65.7
72.51537	2.6
73.02948	42.3
73.66320	2.4
82.69229	2.8
83.01373	4.8
83.46043	2.4
85.02948	32.6
87.04494	3.3
89.02437	56.4
96.96032	3.7
98.90837	2.7
101.02439	65.7
103.04042	28.2
113.02456	40.8
117.05585	38.7
119.03510	20.1
133.05070	23.1
143.03448	2.6
151.06122	31.3
153.01930	5.1
161.04518	6.8
175.04019	3.8
175.06151	10.3
194.46664	2.6
200.45520	2.7
219.89990	2.6
242.04735	2.6
295.10367	84.1
297.11923	4.5
313.11401	15.0
355.12473	36.8
413.11273	5.9
413.16656	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	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68687	2.3
57.03444	1.9
59.01103	5.5
59.01384	88.7
71.01376	37.7
72.99309	63.2
73.02936	4.7
83.01403	2.5
83.05000	2.4
85.02939	6.0
87.00880	4.6
87.04532	2.4
89.02431	35.0
97.03001	2.9
99.00878	16.7
101.02428	14.3
101.06078	9.2
111.04494	3.5
113.02425	13.1
115.07650	11.6
117.01944	25.2
119.03476	10.4
125.02428	5.2
130.99861	3.0
137.09715	12.1
140.56859	2.5
147.04395	2.8
151.11172	3.1
153.01933	9.8
161.04568	3.5
163.11249	2.3
167.10773	3.9
174.01755	4.6
197.79282	2.5
205.08711	3.1
207.13922	21.4
239.12975	4.9
251.12825	2.8
261.14972	5.0
279.15738	2.4
323.15033	31.4
335.15045	100.0
353.16098	25.4
413.14197	13.2
413.18616	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	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30663	0.7
57.03455	1.0
57.72175	0.7
58.18579	0.7
59.01371	1.9
71.01393	1.2
73.02941	4.6
76.63236	0.8
77.86931	0.9
85.02942	2.9
87.00812	1.0
93.54406	0.8
99.04513	1.3
119.08676	1.7
121.10212	6.7
137.06075	4.0
137.09702	3.2
139.11288	7.8
149.06044	0.8
149.09628	1.2
153.05539	0.9
163.03979	1.2
165.05568	1.3
187.07686	0.9
209.08197	1.2
211.09871	5.7
243.10300	3.9
261.11307	1.5
268.09198	0.8
271.09760	3.8
273.11365	1.0
301.10742	4.5
319.11899	18.9
337.12762	1.2
355.14203	1.8
413.18192	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	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68687	2.3
57.03444	1.9
59.01103	5.5
59.01384	88.7
71.01376	37.7
72.99309	63.2
73.02936	4.7
83.01403	2.5
83.05000	2.4
85.02939	6.0
87.00880	4.6
87.04532	2.4
89.02431	35.0
97.03001	2.9
99.00878	16.7
101.02428	14.3
101.06078	9.2
111.04494	3.5
113.02425	13.1
115.07650	11.6
117.01944	25.2
119.03476	10.4
125.02428	5.2
130.99861	3.0
137.09715	12.1
140.56859	2.5
147.04395	2.8
151.11172	3.1
153.01933	9.8
161.04568	3.5
163.11249	2.3
167.10773	3.9
174.01755	4.6
197.79282	2.5
205.08711	3.1
207.13922	21.4
239.12975	4.9
251.12825	2.8
261.14972	5.0
279.15738	2.4
323.15033	31.4
335.15045	100.0
353.16098	25.4
413.14197	13.2
413.18616	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	413.2184
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01877	4.3
57.03460	1.3
59.01104	2.0
59.01384	42.5
71.01378	31.0
73.02935	13.0
75.00846	1.2
75.19572	1.1
83.01386	5.8
84.05357	1.1
85.02947	19.4
87.00880	2.0
89.02442	10.3
95.01376	2.1
95.23697	0.9
96.70640	1.0
99.00879	4.5
101.02440	31.7
113.02448	15.6
114.40206	1.0
119.03491	2.5
125.02457	1.0
143.03415	1.2
161.04576	10.2
192.28954	1.0
208.40536	1.1
223.16995	1.2
233.15451	1.3
251.16466	9.5
302.95465	1.2
348.04221	1.1
385.22446	6.5
413.21884	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	413.2182
Annotation	Tentoxin
Peak:m/z	Relative Intensity
52.70977	1.2
57.03442	2.4
59.01110	1.8
59.01381	31.0
71.01380	25.2
71.16685	1.4
73.02934	10.6
83.01361	7.7
85.02948	14.9
87.00863	1.8
89.02430	7.5
92.19392	1.6
95.01352	2.6
96.64877	2.0
99.00919	1.6
101.02415	18.0
113.02405	8.3
115.00330	9.4
175.02483	16.8
189.12852	12.0
221.59477	1.5
233.11722	7.6
235.16902	1.6
251.16513	7.0
267.15851	1.7
322.75272	1.7
323.44797	1.7
413.21732	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	413.2183
Annotation	Tentoxin
Peak:m/z	Relative Intensity
51.07837	0.7
51.93421	0.6
57.03452	0.8
58.20148	0.7
59.01382	41.0
71.01379	22.7
73.02956	5.4
83.01395	4.5
83.27718	0.9
85.02950	12.0
85.68746	0.9
87.00873	1.2
89.02442	13.8
92.20090	1.9
95.01402	1.3
99.00895	1.0
101.02447	20.4
113.02428	8.3
119.03526	4.7
122.03764	3.4
123.04521	1.1
125.02464	0.8
135.95703	0.8
151.00365	1.4
153.05615	1.1
154.91313	0.8
160.24672	0.8
160.40242	0.9
161.04503	1.0
167.07132	100.0
178.99922	5.1
179.05653	1.4
181.08701	8.6
181.17313	0.9
184.54446	0.8
187.03995	1.0
233.04568	1.6
251.13054	1.2
327.59912	0.9
413.21982	70.6
415.83041	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	413.2186
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01876	1.6
57.03447	4.7
59.01104	1.4
59.01386	30.9
71.01000	1.4
71.01383	33.2
73.02953	12.7
83.01385	6.1
85.02945	21.1
89.02428	2.0
89.36870	1.1
92.19466	2.2
95.01376	2.3
99.00872	2.8
99.04514	1.8
101.02448	34.0
105.64167	1.2
113.02418	12.1
159.02966	1.8
161.04550	10.2
221.15437	6.3
223.17067	6.8
233.15388	1.6
241.06839	1.2
251.16530	29.6
366.34763	1.1
395.30035	1.1
413.21838	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	413.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87843	1.8
59.01108	4.6
59.01387	100.0
63.17698	2.1
68.02972	2.1
88.83189	2.3
100.53440	2.0
106.27975	2.3
112.17377	2.1
152.92686	2.1
366.82825	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	413.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35894	69.8
59.54280	80.4
77.91909	100.0
90.51622	87.3
93.06998	92.2
94.99870	82.0
96.93653	82.7
134.93256	93.1
142.99722	94.5
151.60635	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.66388	1.8
61.93517	1.7
89.92811	1.8
103.28943	2.6
173.82399	1.9
183.01984	2.0
194.27858	2.2
229.82028	2.3
285.04697	1.8
394.69528	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03125	0.9
59.01385	100.0
60.09059	0.9
78.59473	1.0
88.97821	1.1
101.73427	1.1
168.14804	1.2
212.40352	1.1
316.74774	1.1
419.41721	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	414.1045
Annotation	Dafadine-B
Peak:m/z	Relative Intensity
51.59177	0.4
55.45855	0.3
56.01579	0.3
57.49630	0.4
59.76241	0.4
60.05748	0.4
61.98840	0.4
71.01375	6.1
88.04063	0.8
93.03442	3.1
104.10429	0.4
114.99615	0.5
115.00359	12.3
118.02994	3.5
132.03049	0.8
136.04047	100.0
137.02496	4.8
146.06123	2.2
164.07164	7.1
208.06174	14.1
234.04160	0.8
252.05174	8.1
280.96512	0.5
318.25732	0.5
322.25577	0.4
342.08160	0.5
396.09543	1.0
397.58261	0.5
414.10446	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08312	1.3
61.32969	1.1
61.98834	100.0
62.00053	1.2
70.84741	1.0
76.52292	1.2
90.42367	1.1
120.89678	5.3
124.82091	1.2
125.02432	1.9
126.63178	1.1
136.99286	1.1
225.69904	1.2
307.22711	9.5
351.21774	85.6
376.13611	2.5
414.10895	2.0
414.23593	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	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96474	12.5
58.42297	14.9
59.01372	38.8
61.98820	22.7
71.01376	14.9
74.02472	27.4
101.02452	19.6
156.53293	17.2
343.15262	83.4
371.20761	36.6
407.30432	15.1
414.15613	20.9
414.21249	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	415.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.6
68.20753	0.8
71.01380	5.7
80.57999	0.9
83.01397	5.3
85.02940	2.1
87.00880	1.5
88.02239	1.0
88.78035	1.0
89.02449	1.8
93.03445	3.9
95.01408	1.4
95.05026	1.6
96.99298	4.8
97.02939	3.9
99.00864	1.1
101.02441	4.5
107.05057	1.7
109.02943	16.6
111.00867	4.7
113.02443	2.0
121.02944	4.8
123.00893	1.3
123.04523	14.5
124.98801	47.6
125.02420	5.6
133.02913	1.6
135.04530	4.9
137.02443	22.5
139.00362	10.1
139.03993	4.0
141.01903	6.3
147.04544	4.3
149.02452	12.5
151.04010	8.5
159.04578	3.3
161.02434	9.3
161.06108	2.1
161.55077	1.0
161.57886	1.0
162.03281	2.2
163.00374	5.2
163.03998	8.0
164.01187	1.8
165.01961	7.4
165.05586	2.0
167.03506	1.3
167.07103	1.4
175.03984	6.2
177.01929	13.5
177.05557	2.1
178.02695	1.3
179.03502	7.2
181.01448	4.8
181.08722	22.5
183.02989	1.5
189.01942	4.5
191.03572	10.0
191.10823	1.5
193.05154	1.8
194.05873	1.5
203.03496	5.5
203.07130	1.8
205.01414	2.2
205.05075	8.9
207.03108	1.5
209.00920	1.8
209.04547	1.2
209.08197	4.0
213.05478	1.0
215.07159	1.1
217.01563	1.2
219.02959	7.6
221.04558	2.2
229.05083	1.5
231.02974	3.6
245.08246	1.6
247.06169	1.8
263.02032	7.3
271.06421	1.0
289.07248	1.6
329.06644	1.5
341.08862	9.8
343.08276	5.1
343.14102	1.9
353.06705	3.9
371.07690	7.4
387.07397	1.4
415.06775	100.0
415.11722	6.1
415.16171	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	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21022	0.6
59.01366	0.8
75.00447	1.0
75.00867	25.6
90.41295	0.7
91.40655	0.7
93.03433	3.8
99.00861	1.5
105.03461	0.9
111.00878	1.0
112.98543	1.9
118.33333	0.8
121.02931	4.7
123.04460	1.0
130.13768	0.9
133.02942	9.8
148.01563	0.9
149.02388	4.0
151.04010	8.7
164.04710	1.9
167.03459	0.9
169.01718	1.0
176.01137	26.1
177.01927	100.0
181.08598	0.9
189.01913	1.0
194.02272	1.3
195.02986	26.9
225.10802	0.8
253.03448	3.2
279.04752	0.9
339.07199	55.9
357.08267	6.5
415.08725	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96428	0.8
59.01391	2.0
60.99308	11.8
70.89312	0.8
87.00862	1.4
88.98804	100.0
90.59248	0.9
111.06728	0.9
117.03476	1.0
123.04454	1.2
138.55344	1.0
145.02936	13.0
163.03908	1.3
166.40886	0.9
181.08665	3.3
191.07069	1.4
209.08148	4.0
325.09378	6.5
328.42804	1.1
343.14142	3.5
371.13458	6.8
415.07224	1.7
415.12375	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	415.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47556	2.2
52.05068	2.9
59.01387	5.3
59.21916	2.6
65.78136	2.6
71.01387	3.9
73.12910	3.1
87.00874	100.0
87.58064	2.9
99.00907	10.5
109.02931	5.0
123.04534	24.4
124.98781	18.6
125.54455	2.9
130.62332	3.0
137.02496	4.5
138.29181	3.7
147.03056	3.0
148.90593	3.7
149.02441	3.8
151.04002	3.9
161.06090	16.9
164.04759	6.7
176.04778	24.1
177.01996	14.6
177.05556	4.9
178.02687	32.6
178.06357	3.7
179.07109	16.2
180.04218	4.7
181.05042	17.9
190.02850	10.4
191.03473	13.7
191.07138	37.4
192.04202	10.6
193.05008	20.0
204.04259	24.1
205.05025	16.3
206.02144	5.5
206.05865	5.3
207.06563	3.7
208.03780	6.7
209.04517	3.8
209.08115	4.4
216.04250	18.7
217.05020	3.6
219.02994	3.7
219.06592	28.5
220.03650	11.1
220.56664	3.1
221.04558	7.2
221.08084	4.0
223.06036	22.8
231.06544	13.7
233.08200	3.7
235.06122	24.7
248.03255	3.4
253.07068	21.3
255.03131	3.6
263.05560	11.4
265.03726	3.4
265.07166	4.3
307.08353	3.5
325.05637	51.2
353.08920	4.2
355.06635	6.0
379.06607	4.0
397.07593	49.1
398.77420	3.2
415.08624	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	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09842	0.7
59.01375	3.5
59.85063	0.7
63.21475	0.7
63.73978	0.7
71.01408	1.3
76.28104	0.8
83.04988	0.7
87.00878	1.0
89.02449	1.0
93.03442	16.5
101.02464	0.9
111.04491	1.2
112.21442	0.9
121.02955	32.0
121.92166	0.7
137.01434	1.2
137.02448	28.4
139.97134	0.9
155.03493	6.7
173.04546	100.0
185.66570	0.8
241.60519	0.8
253.14487	0.9
293.06644	15.4
295.08249	35.7
362.82986	0.8
411.60904	0.8
415.10583	6.8
415.18802	1.2
415.23477	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	415.1039
Annotation	Puerarin
Peak:m/z	Relative Intensity
54.61684	0.5
56.38956	0.5
57.03470	0.5
58.80094	0.5
59.01385	18.4
63.29138	0.5
71.01375	6.5
73.02920	0.9
85.02930	1.3
86.09011	0.6
89.02427	6.6
101.02441	4.2
105.03420	0.9
113.02448	3.2
118.04327	0.6
119.05055	1.3
120.79974	0.6
120.96201	0.7
121.02936	1.1
125.02322	0.6
137.02496	0.9
145.02905	2.7
149.02423	7.3
151.03993	1.0
161.04536	1.2
175.07430	0.8
179.03400	0.7
179.05618	1.4
187.03912	0.9
191.14424	3.7
199.07570	0.7
223.07542	2.7
225.05583	0.8
235.13373	1.1
251.07172	1.1
253.05179	1.3
253.14397	6.8
267.06625	99.5
277.05188	1.3
295.06116	100.0
298.05103	0.9
307.06186	4.7
325.07281	3.4
371.65753	0.7
377.01468	0.7
415.10382	90.4
415.19681	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	415.104
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.68630	2.8
53.43887	2.8
57.13533	2.5
74.81736	2.7
90.87682	2.8
121.02931	13.8
128.62019	3.3
142.96451	3.1
161.02318	3.5
228.02502	2.9
266.05817	4.5
267.06610	68.1
278.85120	3.6
293.06812	6.3
295.06079	100.0
307.06168	13.7
325.07108	26.7
330.02930	3.0
415.10342	79.3
415.18344	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	415.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
65.74966	0.8
75.75517	0.8
76.83261	0.8
78.47952	1.0
82.61247	0.8
85.39029	1.0
92.19417	1.9
97.26057	1.0
101.02428	1.0
121.02925	10.0
147.04523	9.3
147.72134	0.8
161.02440	1.9
168.47758	1.0
247.07520	1.3
249.05513	4.6
275.07144	10.7
283.45163	1.0
321.09305	1.2
339.10281	5.6
350.09509	1.4
351.10388	3.9
353.11673	1.4
356.10620	1.6
357.11163	12.4
367.09805	20.7
369.11166	1.9
379.05209	1.4
379.09793	25.4
385.10840	100.0
397.10815	72.6
415.11975	6.8
415.23380	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	415.1249
Annotation	Alpinoside
Peak:m/z	Relative Intensity
55.82524	0.5
57.03460	1.1
58.54270	0.5
59.01378	5.4
69.96062	0.5
71.01392	1.3
71.97918	0.5
73.02933	0.7
83.05019	1.2
89.02460	4.7
101.02442	2.5
117.05589	0.7
123.04501	2.3
123.08138	0.7
125.02440	100.0
125.06072	16.6
129.01913	0.8
139.04028	0.9
145.05060	0.6
149.02452	7.0
153.05618	3.6
165.09142	0.8
167.03447	0.8
167.07106	0.6
181.08723	4.3
191.99374	0.6
211.13403	0.8
221.48914	0.6
235.13347	1.0
253.07172	46.8
253.14352	1.2
263.12735	0.8
263.72659	0.7
277.07208	0.7
295.11914	0.7
297.11801	2.2
325.12805	0.7
415.11993	10.5
415.20300	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01377	6.5
71.01376	3.3
73.02937	0.9
74.55318	0.5
75.00858	0.6
81.03442	5.3
83.01368	1.1
83.05009	5.1
85.02967	0.9
87.00860	0.8
89.02441	3.5
92.22353	0.5
94.45322	0.5
95.01337	0.6
95.05019	1.2
97.02956	2.0
99.04536	2.0
101.02438	3.0
108.02214	0.6
109.02913	1.3
111.04517	0.7
113.02449	2.4
119.03497	0.6
121.02920	5.3
123.04524	8.7
123.08113	0.7
124.98780	0.7
125.02442	32.0
125.06065	10.9
135.04509	1.1
137.02431	6.9
143.07195	0.5
149.02429	0.8
153.05592	0.7
155.03479	1.3
161.04570	0.7
165.02054	0.6
165.05589	0.7
167.03494	100.0
177.01898	1.0
179.03462	2.6
179.10753	2.6
181.39693	0.5
181.77525	0.5
189.09137	1.1
197.04562	15.9
209.04626	0.6
209.08308	1.2
217.05063	2.6
235.08118	0.5
253.07112	2.3
295.08231	72.4
305.38321	0.6
325.09305	17.3
337.09445	0.6
379.10370	1.0
397.11285	2.1
415.06757	2.8
415.12527	15.7
415.19818	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	415.1249
Annotation	Alpinoside
Peak:m/z	Relative Intensity
54.90088	1.1
58.03164	0.9
59.01388	8.2
71.01369	2.5
83.04990	1.0
89.02433	2.2
92.30499	1.4
96.11931	1.2
101.02437	4.5
109.02952	2.1
113.02493	1.4
115.00396	2.0
115.07679	1.2
116.23273	1.1
123.04482	2.1
123.08134	5.9
124.98766	2.4
125.02397	1.7
134.03749	45.2
136.04047	2.8
137.02525	1.6
137.04350	2.5
147.08122	5.0
149.06076	40.2
151.03989	8.1
161.58450	1.1
165.09180	5.6
166.03302	1.3
167.03421	1.3
177.01901	6.2
178.02695	20.5
179.71559	1.6
181.04955	1.5
191.03654	1.5
191.07155	26.9
191.10909	1.3
193.05069	100.0
209.08189	58.9
234.01534	1.4
253.07257	5.4
267.82767	1.3
355.10223	11.7
364.73505	1.4
371.13477	4.7
415.07169	5.9
415.12482	36.1
415.21643	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06515	0.7
55.58606	0.6
59.01391	2.6
68.83780	0.7
71.01379	1.1
74.92702	0.7
77.26534	0.7
77.59921	0.8
81.03471	6.6
82.73721	0.6
83.05006	3.3
95.05019	3.0
97.02959	3.4
99.04518	3.0
99.78725	0.7
111.04546	0.8
123.04523	7.8
123.08163	1.1
125.02451	33.4
125.06072	12.1
135.04529	0.7
135.89224	0.9
137.02448	6.2
147.13931	0.7
149.02277	1.0
151.03938	0.9
155.03490	1.4
167.03500	100.0
179.03445	1.6
189.09174	1.4
197.04572	16.7
211.06265	0.8
211.30939	0.8
225.52208	0.7
233.07936	0.8
250.12114	0.7
253.07257	3.4
295.08249	80.2
307.08572	0.9
325.09341	15.9
397.11453	1.6
415.12469	17.9
425.00354	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74779	1.0
59.01102	1.9
59.01384	38.8
59.38704	1.2
71.01374	11.5
73.02953	10.7
79.11521	1.4
79.65540	1.2
85.02960	1.3
89.02445	32.2
89.44025	1.4
99.00851	1.7
101.02436	3.1
103.04021	2.1
109.27357	1.2
113.02488	1.7
121.02953	100.0
125.02428	3.3
131.03477	8.0
135.03477	2.6
135.04524	82.1
141.62379	1.4
149.04562	1.6
152.08385	1.5
153.09236	5.4
163.03989	2.8
190.64645	1.3
205.12314	1.7
223.06036	2.3
283.11829	1.5
355.17621	11.9
398.19135	1.4
415.12408	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74779	1.0
59.01102	1.9
59.01384	38.8
59.38704	1.2
71.01374	11.5
73.02953	10.7
79.11521	1.4
79.65540	1.2
85.02960	1.3
89.02445	32.2
89.44025	1.4
99.00851	1.7
101.02436	3.1
103.04021	2.1
109.27357	1.2
113.02488	1.7
121.02953	100.0
125.02428	3.3
131.03477	8.0
135.03477	2.6
135.04524	82.1
141.62379	1.4
149.04562	1.6
152.08385	1.5
153.09236	5.4
163.03989	2.8
190.64645	1.3
205.12314	1.7
223.06036	2.3
283.11829	1.5
355.17621	11.9
398.19135	1.4
415.12408	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
59.01111	1.9
59.01385	38.4
65.12701	1.0
71.01389	18.1
73.02951	11.3
74.68090	1.2
83.01379	5.8
85.02939	12.9
87.00865	1.5
89.02440	8.0
95.01344	1.4
99.00873	2.1
101.02439	26.9
103.03988	2.0
106.88078	1.3
113.02428	9.8
123.04587	1.4
153.05569	1.8
167.07085	7.7
175.58640	1.2
181.88016	1.3
194.09494	21.3
195.10109	1.3
209.11836	36.4
235.09650	2.4
326.34027	1.8
371.17120	18.0
397.15182	14.9
415.16104	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	415.1613
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.45627	0.9
59.01384	66.4
71.01382	45.3
73.02949	16.0
75.61982	1.1
81.15453	1.0
85.02940	2.7
89.02444	100.0
90.26651	1.1
97.02923	1.3
99.00873	30.4
101.02453	24.8
113.02464	10.0
119.03506	8.2
125.02443	4.9
131.03497	10.9
139.03438	1.1
142.75381	1.5
149.04552	38.2
153.05565	1.4
161.04509	1.6
167.07137	1.4
179.05519	1.9
181.08690	2.1
181.26404	1.2
191.05672	12.3
221.06650	2.8
249.03233	1.2
251.07745	5.7
415.16068	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24709	1.3
57.03450	1.6
58.04421	1.1
59.01375	1.7
72.99293	2.0
73.02944	7.5
83.05010	1.5
85.02971	1.6
99.04518	3.3
109.02945	1.2
111.04504	3.0
113.02458	6.3
114.03227	2.4
123.04552	1.8
125.06004	1.6
127.04002	8.1
137.06064	3.3
139.04045	2.4
139.07658	5.3
140.49944	1.3
141.05573	2.7
149.09720	1.8
151.07669	4.9
165.05505	1.5
165.09184	4.8
167.07147	5.4
169.08690	1.6
171.08185	1.7
177.09233	2.5
189.09227	12.5
193.08765	2.8
195.10338	2.9
205.08736	5.2
223.09717	2.5
233.11871	2.4
241.10791	1.8
247.13324	1.7
255.10431	1.4
267.12433	6.5
269.90738	1.5
273.52588	1.3
305.14008	3.0
341.16101	13.9
367.17596	6.2
371.17215	1.7
415.07019	3.2
415.19785	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	415.198
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.87358	2.3
59.01101	4.2
59.01385	100.0
59.01679	4.1
63.16861	2.7
71.01389	12.3
85.02979	3.4
89.02441	24.4
96.96024	11.9
109.02908	3.1
123.04518	2.8
127.74706	2.5
151.07692	3.0
152.08496	4.2
153.09216	27.8
175.94185	2.8
191.03526	3.7
205.12375	4.7
213.62694	3.2
215.07001	3.2
299.27301	3.1
313.14505	16.6
343.15515	24.0
355.17725	46.7
415.06586	5.4
415.19376	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
57.03447	3.1
59.01384	100.0
70.17307	2.0
71.01381	57.8
73.02950	8.5
83.01380	8.2
85.02946	27.8
89.02437	45.6
95.01347	2.8
101.02449	42.9
113.02445	28.4
119.03489	21.7
161.04549	4.9
179.05577	4.3
203.77159	2.3
309.04062	2.5
397.22052	4.0
415.23355	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38507	1.6
52.40329	1.5
55.01871	1.9
57.03449	3.0
58.24695	1.5
59.01386	84.3
62.19362	1.7
67.60522	1.6
71.01379	83.8
73.02938	25.4
77.64641	1.8
83.01377	9.2
85.02949	37.7
89.02438	52.3
95.01376	4.3
99.00882	6.4
101.01805	3.3
101.02440	66.6
113.02445	37.2
116.95490	1.7
119.03487	15.2
143.03534	7.3
159.02959	4.2
161.04541	26.6
178.35162	1.7
179.05603	3.8
181.70538	1.6
253.18167	3.6
415.23407	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.2
57.03445	2.6
57.10703	2.2
59.01384	100.0
71.01379	87.1
73.02953	26.1
73.62242	2.0
83.01388	13.8
85.02947	36.8
86.05199	2.3
87.00878	12.9
89.02442	50.6
95.01376	5.0
96.45753	3.2
99.00826	3.4
101.02441	65.1
113.02450	41.2
115.95311	2.4
119.03510	20.8
122.77296	2.5
131.03517	3.4
143.03502	2.8
147.52724	2.3
159.02974	3.0
161.04549	29.5
172.45230	2.6
179.05635	4.6
221.06671	13.5
226.90656	2.4
395.82770	2.6
415.23422	72.9
430.92932	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	415.2343
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
55.59039	0.9
57.08094	1.0
59.01385	22.0
59.43933	1.0
59.82919	1.0
65.80715	1.0
71.01379	13.6
73.02951	7.0
75.19503	1.0
85.02943	6.3
87.00851	1.5
89.02445	9.9
95.01322	1.7
99.00885	1.4
101.02444	8.6
113.02422	7.0
137.09595	1.1
156.45128	1.1
159.88785	1.1
177.67442	1.1
183.13933	1.7
235.17029	2.6
237.18599	27.6
249.89595	1.1
253.18094	25.8
403.57977	1.4
415.23325	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	415.2341
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
51.10649	0.9
54.23748	0.8
55.71428	0.9
59.01105	1.8
59.01385	31.7
69.83138	1.0
71.01382	19.7
71.94488	1.1
73.02938	6.0
73.95134	1.0
83.01391	2.5
85.02948	9.4
89.02445	11.8
95.01405	1.2
101.02441	24.7
111.85394	1.1
113.02428	9.1
119.03485	1.9
129.66225	1.1
172.89450	1.1
179.05595	1.2
193.72742	1.0
212.59479	1.1
235.16988	3.9
240.54813	1.3
253.18140	10.2
312.13910	1.2
340.54010	1.1
353.56918	1.1
385.10904	2.1
397.10709	4.5
415.23389	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	415.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61340	59.5
50.66642	59.2
51.16118	62.0
52.99937	60.8
76.50627	81.4
136.52643	80.7
141.23196	68.5
158.14980	74.1
162.32140	72.6
181.84039	83.0
223.06400	79.6
282.01389	76.6
366.25479	79.8
434.09918	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	415.262
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17831	69.3
71.07178	58.0
89.02447	92.2
113.32021	71.4
138.16751	63.5
169.06839	64.1
190.94348	76.0
303.23398	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	415.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70914	28.6
51.98118	26.8
58.44541	28.5
61.38400	29.2
70.64191	30.7
84.22268	26.8
85.14533	32.0
89.53233	28.9
92.20087	100.0
96.52168	29.9
104.02669	30.9
123.95939	35.8
139.60797	35.0
142.11617	28.2
142.17867	31.7
299.41852	35.3
303.78546	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.76688	2.1
90.57767	2.4
92.19794	4.6
94.43295	3.0
95.87019	2.5
116.97893	2.8
140.84947	2.7
330.22003	3.2
331.38507	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	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.69753	1.1
63.46748	0.9
74.66298	1.0
89.58975	1.1
90.20278	1.1
146.68178	1.0
172.03183	1.1
248.94693	1.3
263.79019	1.1
322.94244	1.2
331.91290	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	415.3068
Annotation	oscr#30
Peak:m/z	Relative Intensity
51.43951	4.6
52.03210	4.9
58.55828	5.0
59.01386	7.1
62.26588	5.1
68.77769	5.4
72.57176	5.4
106.94829	6.6
279.26920	100.0
320.39182	5.5
323.25937	40.7
341.26938	60.8
415.30701	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
86.08640	1.0
92.19840	4.7
142.50378	0.9
172.21770	0.9
233.57370	0.8
326.47177	0.9
330.68600	1.0
378.69376	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	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55832	1.9
55.79411	1.8
59.01386	100.0
60.21251	1.9
82.03879	2.1
135.04532	3.2
415.32413	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	417.0982
Annotation	Asp-TyrMe-OH
Peak:m/z	Relative Intensity
58.88152	1.0
62.50384	0.8
95.49070	1.0
209.02426	2.2
226.02734	42.1
241.02615	2.4
241.05058	58.2
241.07468	2.3
253.01428	34.1
342.05411	13.4
369.03912	4.9
370.04843	31.2
371.05551	4.7
374.04327	5.0
385.07236	24.6
402.03751	4.1
403.08234	14.2
417.09848	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	417.0982
Annotation	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
51.05124	0.5
51.18253	0.5
51.40509	0.5
51.76537	0.5
52.81628	0.5
56.13225	0.6
60.68848	0.6
116.44198	0.6
116.68690	0.7
149.06062	1.1
173.06102	11.3
175.03969	1.0
197.06082	21.4
199.04144	4.3
217.05165	2.0
237.45428	0.7
237.86400	0.7
241.05069	100.0
255.14879	0.7
263.77670	0.6
265.05087	0.7
329.18060	0.8
331.09766	0.6
370.73566	0.7
380.87531	0.6
417.09848	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0983
Annotation	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
50.40720	0.6
52.85814	0.5
54.06153	0.6
58.82784	0.6
73.67408	0.7
96.68456	0.7
117.03455	9.0
201.18024	0.8
213.05566	0.8
223.03851	0.9
240.04279	25.9
241.05112	3.1
255.06551	4.5
257.32550	0.7
265.05112	6.5
267.02985	13.4
282.05350	4.6
299.05704	1.2
339.72186	0.7
341.08380	0.9
342.05203	4.3
357.07565	1.0
385.07196	65.4
401.06900	1.0
402.07535	2.7
417.09833	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
64.21417	0.8
65.91428	0.9
67.38127	0.7
71.01367	5.4
79.97995	0.8
80.90005	0.8
82.92583	0.8
85.02946	1.0
87.00878	13.6
89.02447	8.5
101.02430	3.8
113.02415	4.3
115.57001	0.8
119.03486	2.0
123.04514	66.0
147.04585	1.0
149.06082	15.6
151.04013	1.3
165.05559	19.6
178.02797	1.3
193.05060	37.2
195.03023	10.9
200.79430	0.9
211.06137	2.0
219.02921	1.1
237.03882	0.9
255.05136	4.2
284.98276	0.9
285.09866	1.0
335.42673	1.0
346.41367	1.0
357.08374	7.6
362.32504	0.9
369.97864	1.0
417.10342	100.0
423.41901	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	417.1347
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
50.21973	0.5
52.17736	0.5
59.01371	3.0
69.03467	0.9
83.22330	0.6
89.02435	0.8
89.50031	0.6
89.86669	0.5
93.03446	0.7
102.66914	0.6
121.02947	16.4
138.99896	0.6
147.04619	0.5
196.35809	0.5
223.03986	0.6
225.05527	1.0
226.06381	5.9
231.32933	0.5
239.07132	2.4
241.05058	5.8
249.05603	0.7
258.05270	1.1
263.07330	0.8
295.09659	0.8
314.43442	0.5
339.10297	1.0
356.10638	7.6
357.11340	15.7
369.11377	0.9
387.12146	1.2
417.13474	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	417.1406
Annotation	7-O-Acetyl-8-epi-loganic acid
Peak:m/z	Relative Intensity
51.02039	1.4
68.12675	1.3
72.99301	2.4
73.16561	1.3
85.65339	1.8
87.81994	1.4
99.43756	1.4
101.02458	3.0
105.36110	1.4
123.04551	10.6
136.05304	6.2
137.02449	2.5
163.04025	2.7
164.04790	10.5
179.07138	70.9
181.08728	3.6
184.60048	1.4
191.07217	3.5
193.08813	7.7
207.06627	2.2
210.05360	12.6
211.06116	7.7
211.09764	11.2
222.05309	2.2
227.80594	1.5
237.07718	12.6
254.08037	1.7
255.08765	47.7
259.46671	1.5
287.86670	1.5
298.84457	1.4
312.08969	1.5
373.11618	6.5
391.43991	1.6
414.69315	1.5
417.14212	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	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02039	1.4
68.12675	1.3
72.99301	2.4
73.16561	1.3
85.65339	1.8
87.81994	1.4
99.43756	1.4
101.02458	3.0
105.36110	1.4
123.04551	10.6
136.05304	6.2
137.02449	2.5
163.04025	2.7
164.04790	10.5
179.07138	70.9
181.08728	3.6
184.60048	1.4
191.07217	3.5
193.08813	7.7
207.06627	2.2
210.05360	12.6
211.06116	7.7
211.09764	11.2
222.05309	2.2
227.80594	1.5
237.07718	12.6
254.08037	1.7
255.08765	47.7
259.46671	1.5
287.86670	1.5
298.84457	1.4
312.08969	1.5
373.11618	6.5
391.43991	1.6
414.69315	1.5
417.14212	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01385	35.7
66.84447	1.0
71.01377	22.0
71.83689	1.0
73.02952	9.7
75.00875	13.5
83.01393	4.7
85.02941	11.8
87.00904	3.6
87.27137	1.0
89.02437	5.7
95.01383	2.0
97.02963	1.8
99.00871	1.4
101.02446	20.4
109.02956	1.2
109.39004	1.1
111.00876	8.9
113.02435	11.5
121.02950	100.0
123.04520	1.5
125.02454	8.2
126.15532	1.1
127.00371	2.6
135.04524	33.5
135.44073	1.3
137.02449	5.6
138.03307	1.4
139.07664	11.6
141.10472	1.0
151.03990	1.1
151.06078	5.0
155.03604	1.2
161.02432	1.7
161.04565	19.6
163.04002	4.5
165.01976	8.2
175.06093	1.6
195.10344	2.2
207.65590	1.2
215.81709	1.1
245.08324	1.5
289.07092	9.2
295.10358	13.2
305.06680	1.8
357.15549	27.1
358.71194	1.0
372.13358	1.1
388.59723	1.1
417.13278	11.6
417.17859	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	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02039	1.4
68.12675	1.3
72.99301	2.4
73.16561	1.3
85.65339	1.8
87.81994	1.4
99.43756	1.4
101.02458	3.0
105.36110	1.4
123.04551	10.6
136.05304	6.2
137.02449	2.5
163.04025	2.7
164.04790	10.5
179.07138	70.9
181.08728	3.6
184.60048	1.4
191.07217	3.5
193.08813	7.7
207.06627	2.2
210.05360	12.6
211.06116	7.7
211.09764	11.2
222.05309	2.2
227.80594	1.5
237.07718	12.6
254.08037	1.7
255.08765	47.7
259.46671	1.5
287.86670	1.5
298.84457	1.4
312.08969	1.5
373.11618	6.5
391.43991	1.6
414.69315	1.5
417.14212	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	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33287	0.9
59.01110	1.5
59.01389	32.6
64.14263	1.0
67.17040	0.9
71.01382	15.9
73.02940	3.7
83.01402	1.2
85.02953	9.7
87.00902	1.3
89.02443	14.3
101.02443	14.2
102.52608	1.0
111.00920	1.3
113.02422	8.3
119.03482	2.6
137.02425	1.6
167.07138	69.8
193.08705	100.0
237.07687	44.9
237.09958	2.2
318.30881	1.1
329.12451	1.4
368.96805	1.2
417.13708	16.1
417.18634	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51102	4.6
59.01394	38.4
71.01379	25.6
85.02950	9.8
87.81540	4.9
89.02441	8.4
93.92196	5.3
101.02423	26.9
101.45509	5.5
103.50545	4.4
108.30016	5.2
109.42848	5.3
113.02425	9.0
116.15881	5.5
251.20903	5.0
266.07898	4.8
267.59180	4.8
269.83942	5.3
417.16626	28.8
417.21317	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	417.1768
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
51.09702	0.5
53.18845	0.5
53.53733	0.5
54.15612	0.6
55.01872	1.1
57.03441	1.1
59.01382	27.8
60.59105	0.6
71.01378	20.9
73.02956	7.9
80.22674	0.6
83.01384	4.4
85.02949	9.1
89.02436	12.2
95.01380	1.5
99.00891	1.0
101.02440	20.8
113.02439	9.5
119.03512	3.0
146.87987	0.7
148.05220	0.7
175.11244	0.9
177.01912	1.4
193.12386	1.6
211.13345	4.4
302.04333	0.8
373.18961	0.8
417.17697	100.0
419.98672	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.6
57.40460	0.5
59.01386	12.4
67.95332	0.6
71.01380	13.7
71.50735	0.6
73.02962	4.3
79.70871	0.7
83.01383	1.2
85.02953	5.7
87.00873	1.2
89.02087	0.5
89.02457	8.0
95.01405	0.7
97.02950	0.8
99.00872	1.1
101.02450	9.3
111.00872	0.8
113.02462	7.6
118.40530	0.7
119.03516	0.8
121.02927	3.6
123.04422	0.6
125.02458	1.5
133.05093	1.2
143.03539	0.9
153.02013	0.6
159.03011	0.8
161.04565	9.8
166.06348	100.0
181.08716	83.3
185.00890	0.7
235.08224	4.9
293.08740	1.2
300.48831	0.7
417.16898	4.7
417.22034	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.37242	1.1
59.01390	28.9
68.33055	1.0
71.01382	15.1
73.02951	5.8
75.49970	1.0
83.01389	5.6
85.02951	7.4
87.00883	9.4
89.02455	11.2
89.02918	0.9
92.20140	1.9
93.03467	1.9
95.01405	2.5
99.00864	1.4
101.02434	16.9
111.00872	20.7
113.02466	8.1
119.03518	2.8
123.04536	1.2
125.02500	1.8
137.02440	8.8
139.04031	1.5
151.03955	1.3
165.05638	2.6
193.08641	2.0
194.09596	1.8
195.06708	2.6
195.10289	1.4
207.10220	8.4
225.11263	1.4
237.11406	4.8
240.10089	5.6
255.12387	19.4
289.07321	2.6
306.07574	1.3
369.15698	4.3
399.16739	5.6
417.17847	100.0
422.87344	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51899	1.0
59.01382	100.0
71.01378	23.5
72.99287	1.3
73.02945	2.5
74.73594	1.1
78.48935	1.1
85.02940	6.9
87.00829	1.5
89.02438	20.9
101.02444	21.1
111.00864	1.4
113.02463	11.6
115.12678	1.2
119.03490	6.9
123.04520	11.4
161.04541	13.3
165.17812	1.2
175.64966	1.3
177.09193	6.3
179.05602	5.7
234.44547	1.4
257.72089	1.5
357.11273	2.2
357.15558	54.7
389.92209	1.3
417.17703	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	417.1771
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
50.83571	1.3
59.01388	91.8
59.37322	1.6
71.01388	18.8
73.02946	2.2
83.01373	2.7
84.16255	1.5
85.02943	9.7
89.02434	15.0
93.50619	1.6
101.02464	17.1
110.80068	1.6
113.02431	8.9
119.03489	3.0
121.03040	2.4
123.33535	1.8
137.09724	1.9
153.09177	3.1
153.91658	1.7
193.12361	2.0
255.12558	2.3
417.12292	3.4
417.17673	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	417.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84793	13.3
65.06236	12.8
91.52717	15.4
125.02402	16.3
209.58089	15.6
241.05090	65.8
253.01517	32.5
370.04688	26.7
410.94382	17.0
417.09756	100.0
417.22739	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11362	8.9
58.38085	11.5
58.64677	9.4
59.01379	14.3
63.09512	9.3
74.13771	10.7
78.95914	16.9
79.87695	11.0
85.91746	11.3
91.58102	10.2
92.20110	13.6
112.04868	12.3
135.16428	10.2
173.06047	11.8
197.06120	22.8
213.10419	11.2
241.05058	100.0
387.70789	11.4
417.09943	75.9
417.20663	47.4
417.26352	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08818	1.3
55.89228	1.2
55.99929	1.3
59.01385	100.0
71.01379	45.2
76.86964	1.4
85.02950	7.6
89.02444	58.3
92.19992	1.5
95.01391	1.6
101.02444	25.0
113.02441	16.3
119.03479	20.7
142.87692	1.7
143.03467	3.1
161.04469	3.6
164.79204	1.4
179.05612	10.3
184.47050	1.5
193.16045	2.9
237.15033	6.6
242.92488	1.7
307.16751	1.5
327.51462	1.4
417.21384	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
55.94658	1.5
57.03452	3.6
58.41744	1.7
59.01105	3.2
59.01384	75.5
59.88213	1.6
67.03908	1.7
71.01380	78.4
73.02950	21.6
83.01369	10.2
85.02944	36.4
87.00857	4.1
89.02439	30.4
95.01392	7.6
97.02926	2.8
99.00886	3.9
101.02435	55.2
111.00861	3.2
113.02440	35.8
119.03487	8.2
121.02982	2.7
121.04091	1.6
125.02411	2.7
135.08235	2.4
137.09700	2.6
143.03546	2.3
151.11290	11.2
159.02969	2.1
161.04547	33.9
163.11267	3.1
166.06334	100.0
168.74640	1.9
179.05551	4.4
179.10686	2.0
181.08710	83.7
181.12263	8.0
189.12834	11.1
201.12895	8.3
204.11485	2.5
219.13893	25.1
235.08244	26.5
237.14888	7.5
335.14795	2.0
417.12970	3.6
417.21454	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26747	1.6
61.66694	1.6
83.92080	1.6
88.95435	1.7
120.31672	2.1
158.95599	2.0
167.10796	8.8
179.14365	4.7
195.13924	14.5
205.12277	8.6
223.13414	100.0
246.23653	2.1
257.38412	1.9
417.22601	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10540	0.8
59.01384	100.0
60.95410	0.8
71.01395	2.2
80.55280	0.8
87.21194	0.9
115.04008	1.6
119.33797	1.0
164.13860	0.8
166.78818	0.8
197.54863	1.0
271.01620	0.9
285.20731	0.9
319.50372	1.0
417.24063	4.8
417.29086	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	417.2135
Annotation	Maryal
Peak:m/z	Relative Intensity
52.72559	0.5
53.23946	0.5
56.46073	0.6
65.19543	0.6
70.62620	0.6
71.01379	1.4
72.99287	0.8
73.02943	2.3
74.05772	0.7
75.00861	3.8
78.20384	0.6
85.02962	2.8
85.57551	0.6
93.14355	0.6
95.05087	0.9
99.04511	1.2
104.65083	0.7
113.02439	1.5
121.06639	1.4
123.04507	2.5
126.64150	0.6
133.06567	1.0
137.06143	1.3
139.07736	0.8
153.45776	0.7
167.10771	0.6
171.80925	0.6
173.09720	1.1
185.09752	1.2
191.10750	7.7
193.10246	0.9
195.11913	0.7
197.09766	0.7
199.11285	3.1
203.10805	1.1
209.09668	0.9
209.35083	0.7
211.11322	1.6
213.09254	3.3
213.12827	0.6
215.10764	2.6
221.09792	1.0
223.11247	3.7
225.09207	1.5
227.10910	0.9
229.12431	1.3
231.10291	4.2
233.11778	1.0
236.08409	0.9
239.10818	8.6
240.86926	0.8
241.12343	5.6
243.10254	2.4
245.11795	0.9
251.10780	6.7
257.11810	9.3
265.14569	0.8
269.11862	10.8
275.12909	3.6
287.12912	7.7
293.14017	1.4
305.13943	13.5
323.14966	6.9
341.16238	1.1
359.17017	7.9
417.21359	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	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32975	1.0
54.13058	1.0
55.01857	1.1
56.32101	0.9
57.03424	1.2
58.00595	1.6
59.01384	100.0
71.01377	64.9
71.05021	17.2
73.02934	10.0
73.76321	1.1
81.03419	6.8
83.01353	7.1
83.05009	1.5
85.02541	1.1
85.02946	21.4
87.00854	1.1
89.02439	54.7
90.64645	1.0
95.01334	4.7
97.02907	7.3
99.00839	2.5
99.04484	1.7
101.01828	2.1
101.02438	40.1
102.27505	1.1
113.02450	28.4
115.04005	97.6
119.03493	19.7
126.03175	1.9
131.03497	1.8
137.09669	4.3
139.11238	5.0
139.88268	1.0
140.35098	1.0
141.52669	1.1
143.03448	5.0
159.02916	1.7
161.04552	14.2
175.14781	4.0
179.05521	7.3
193.14511	1.4
193.15987	29.5
221.06598	1.6
237.14964	26.3
255.16017	19.2
272.02112	1.1
297.16953	6.0
323.14502	1.1
417.21014	60.2
431.33853	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	417.2498
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.36440	1.5
57.03464	2.0
59.01383	100.0
61.98821	8.7
71.01382	82.6
71.05013	8.0
73.02947	19.3
76.06123	1.8
83.01384	8.0
85.02956	31.1
86.04541	1.9
89.02442	57.5
92.20078	2.4
95.01379	8.2
99.00877	4.3
101.02434	60.9
113.02442	39.2
115.03996	40.7
119.03479	21.6
123.06087	1.7
131.03481	3.7
143.03468	2.1
159.03065	3.3
161.04568	24.8
179.05630	8.5
193.15955	11.1
206.40187	2.0
221.06630	10.8
237.14935	8.6
255.16011	7.7
255.19638	4.0
331.07108	2.0
417.21225	13.0
417.25427	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.16142	1.7
59.01384	100.0
60.34006	1.7
60.63191	2.1
61.83352	1.8
71.01379	73.6
73.02933	17.1
81.54219	2.5
83.01385	10.3
85.02948	18.9
89.02438	57.1
92.20100	4.1
95.01373	3.0
101.02437	61.2
113.02444	30.0
119.03517	17.5
136.18253	2.1
143.03569	3.1
159.03001	2.4
161.04570	22.0
179.05609	12.0
196.20604	2.1
255.19670	4.9
388.13232	2.3
417.24924	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77850	1.4
51.73175	1.3
57.03455	2.4
59.01103	3.3
59.01382	80.5
63.65440	1.4
67.20788	1.7
71.01382	73.4
73.02934	14.4
83.01387	10.0
85.02949	30.0
87.00894	2.1
89.02442	45.6
92.20057	3.6
95.01383	7.4
99.00919	4.2
101.02442	60.9
109.12889	1.7
113.02446	31.6
119.03469	13.4
121.02917	3.4
131.03510	2.8
143.03450	2.2
158.96834	1.9
159.02956	3.5
161.04561	36.2
179.05594	4.3
193.79568	2.2
255.19664	4.2
284.25580	1.9
298.27487	2.0
325.12210	1.8
351.10461	6.8
357.11209	8.9
369.11203	23.1
381.11386	3.8
387.12485	22.0
399.12500	17.8
417.13412	8.8
417.24942	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	417.2649
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
53.88768	0.5
54.65863	0.5
55.65675	0.5
73.47843	0.6
112.61655	0.6
117.03447	4.0
119.05051	5.2
140.90671	0.6
145.02956	100.0
163.04010	8.0
219.41550	0.6
225.22272	0.8
271.22824	17.3
281.15277	0.6
399.25388	2.4
417.26505	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	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
72.14680	1.1
74.39400	1.5
80.99607	1.3
153.34189	1.2
231.13689	1.5
244.65283	1.4
255.96375	1.5
291.81476	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	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07811	2.0
59.01103	4.1
59.01386	100.0
60.38383	2.0
81.60458	2.4
91.73483	2.0
96.50770	2.4
97.21241	2.8
98.88702	2.3
100.53224	2.2
101.23472	2.1
112.49448	2.6
119.99890	2.4
127.04375	2.5
161.94757	2.1
196.89642	2.1
215.33966	2.2
334.14465	2.7
417.34262	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	417.3375
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
62.17748	0.6
69.54655	0.7
107.05000	4.4
111.94280	0.6
128.24599	0.6
133.49867	0.6
135.04523	100.0
135.32637	0.8
148.05247	1.0
148.84933	0.7
163.86522	0.7
179.70178	0.6
218.30443	0.6
232.29262	0.7
385.72391	0.7
402.31390	22.2
417.33762	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59075	0.5
53.64383	0.5
58.39096	0.5
60.16673	0.5
63.11802	0.5
88.12643	0.6
103.18856	0.6
107.05005	4.7
107.33959	0.6
122.03691	1.1
135.04526	100.0
141.64507	0.6
148.05327	1.3
161.05988	0.8
211.99268	0.7
267.50534	0.6
281.24887	2.6
284.80359	0.7
376.10403	0.8
392.09692	0.7
402.31384	19.1
417.33749	70.0
440.90338	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	418.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32349	0.9
59.01385	1.1
61.98833	33.5
62.93562	1.0
100.38247	1.0
101.02435	1.7
123.70914	1.1
133.02928	2.2
134.52220	1.2
135.04515	20.8
161.02443	100.0
166.41345	1.1
179.03514	16.4
193.07256	1.1
193.80833	1.3
196.07011	1.2
265.78757	1.2
348.09671	1.1
355.10345	80.7
356.70108	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	418.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61392	0.1
59.01378	1.5
66.79573	0.2
71.01371	1.5
74.72556	0.1
75.00876	0.2
78.03482	1.9
85.02934	0.3
86.02415	0.2
89.02442	1.1
101.02433	1.1
111.48615	0.2
113.02457	0.2
119.03432	0.2
122.02477	100.0
123.04503	2.0
124.04041	0.3
124.04842	1.4
136.04036	8.2
151.06099	1.3
164.03516	1.1
179.07091	1.5
180.07458	1.9
189.40672	0.2
238.08054	0.3
255.08742	1.4
256.09106	2.2
295.10385	1.6
313.26538	0.2
331.60471	0.2
418.07974	1.3
418.14166	7.2
418.21613	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	419.0775
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
54.20510	0.7
59.20672	0.7
64.46839	0.8
67.65382	0.7
93.03445	1.4
102.88506	0.7
117.03438	15.4
131.57437	0.7
160.04333	1.0
171.04518	1.4
180.95221	0.9
181.02969	1.3
185.02281	0.8
198.03215	16.4
223.04034	6.7
225.01892	13.7
240.04286	7.9
242.02336	0.9
242.34068	0.8
257.04504	10.2
266.39282	0.9
269.00940	3.9
281.04697	0.9
299.05795	1.3
343.06116	86.5
359.05707	3.6
360.06522	1.2
375.08798	15.0
387.05173	14.3
387.24747	0.9
408.10214	0.9
419.07764	100.0
419.26740	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	419.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38408	0.4
51.78307	0.5
55.00654	0.5
55.41315	0.5
59.01384	4.2
60.23051	0.5
67.25919	0.5
71.01369	0.6
103.46904	0.8
104.67034	0.5
115.86993	0.5
134.16087	0.6
155.05034	6.7
157.02942	0.8
158.03642	0.7
173.06076	5.4
175.03983	4.1
199.04019	31.7
201.01935	3.1
217.05054	2.6
243.02975	100.0
257.21249	1.2
267.02991	2.2
269.04541	1.3
269.61545	0.6
299.36124	0.6
375.08603	0.6
419.07773	77.9
419.26770	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	419.0776
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
55.10894	0.8
58.63783	1.0
59.01376	5.7
63.93465	0.9
64.09349	1.2
71.01392	1.5
73.02937	1.1
75.00835	1.3
85.02933	1.4
89.02464	1.2
96.46269	1.2
98.76852	1.1
120.42459	1.0
121.02953	1.1
151.04031	6.1
161.02464	5.2
163.00371	6.4
181.06622	1.2
185.05934	1.4
187.04173	1.4
197.06201	1.4
201.05524	2.1
207.41072	1.2
211.04091	2.1
213.05592	7.2
225.05643	5.1
227.03577	4.1
229.05136	1.7
237.05585	1.2
239.03593	4.7
240.04350	1.3
241.05067	28.8
253.05095	2.2
255.02991	25.8
257.04620	8.4
266.22437	1.1
267.02942	11.1
268.03757	25.6
269.04562	100.0
281.04599	2.2
282.05347	6.9
295.02423	7.5
309.04230	1.2
310.04871	2.3
325.03671	5.1
330.34213	1.3
341.33646	1.1
401.06476	1.7
403.65942	1.1
419.07794	98.8
419.12793	3.9
419.23282	6.2
419.30194	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	419.0986
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
54.76097	1.7
55.78497	1.7
70.45692	2.0
70.77204	1.7
76.23897	1.8
83.01383	10.1
83.29794	2.0
85.02962	9.5
95.04978	2.4
97.02967	12.0
108.02121	2.2
109.02951	38.6
111.00864	9.1
121.02946	4.5
122.03751	2.9
123.04521	29.5
125.02431	26.7
137.02449	21.8
149.02434	27.7
151.04001	25.6
153.01941	3.7
154.86340	2.0
158.11806	1.8
159.04573	2.2
161.02455	3.7
161.06100	8.0
163.03981	4.6
164.01198	2.8
165.01952	10.0
165.05571	3.3
167.03569	2.8
175.03891	4.8
177.05629	1.9
179.03517	14.1
185.06030	1.9
187.03989	8.1
188.04788	4.6
190.02780	2.6
191.03539	10.7
201.05595	2.1
203.07190	21.8
205.05098	28.4
207.02960	7.4
227.07079	4.3
229.05060	10.2
231.02994	7.7
236.44460	2.0
239.12845	1.8
245.08133	26.7
247.06084	22.1
255.06680	3.9
265.04626	2.2
273.07700	9.3
289.07181	39.4
359.07764	96.0
401.08774	52.0
419.09872	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	419.0986
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
51.85549	2.7
54.07997	3.0
54.60542	3.1
59.01401	3.9
68.99583	6.1
83.01406	12.6
85.02939	5.3
89.02451	31.6
97.02945	6.8
104.57572	3.8
109.02949	41.8
111.00919	5.2
112.98550	3.7
116.60875	3.3
121.02998	4.6
123.04506	31.3
125.02448	23.6
135.04514	6.1
137.02440	19.6
139.04051	4.2
146.03665	4.7
149.02394	27.5
151.04002	18.7
160.96349	3.4
161.06186	6.3
162.03268	4.5
163.03798	3.3
164.56299	4.2
165.01933	4.8
165.05603	12.9
167.03462	6.0
175.04066	4.9
179.03505	8.1
187.03979	4.4
191.03511	4.8
194.18279	3.7
203.07149	28.1
205.05107	20.1
207.03014	13.2
229.05127	6.0
245.08165	21.9
247.06091	18.0
273.07690	12.5
289.07190	35.5
359.07767	100.0
401.08841	59.1
419.09912	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0987
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
57.99715	0.5
59.01390	2.2
60.59652	0.4
61.89260	0.4
71.01371	0.7
71.52217	0.4
73.02946	0.8
75.59470	0.5
77.64246	0.5
77.86207	0.5
79.27288	0.5
82.69579	0.5
85.02940	0.5
108.02175	11.5
109.02948	89.1
113.02382	0.5
121.02947	11.6
123.00875	0.8
123.04521	0.6
142.83661	0.5
151.03969	3.6
151.99911	0.8
152.01151	27.9
153.01932	100.0
242.05943	0.8
255.31651	0.6
257.08209	2.6
257.17551	0.8
293.43256	0.5
297.06180	1.2
419.09854	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1101
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
58.14508	1.0
59.01387	10.9
66.62385	1.0
71.01377	4.3
72.58364	1.1
85.02972	1.6
89.02435	4.6
93.03448	17.0
101.02444	4.9
102.13149	1.2
113.02422	4.2
118.96393	1.0
122.06079	1.3
137.02448	38.6
146.64258	1.0
147.03244	6.9
148.04042	5.3
164.93933	1.1
175.02747	2.6
176.03537	8.8
179.05844	3.8
199.08742	2.7
207.05389	1.4
210.08075	1.5
215.11913	11.9
225.10301	2.4
227.11888	2.2
237.10231	1.5
240.09032	2.6
241.09819	5.3
243.07727	1.9
243.11339	1.6
253.09871	2.1
255.11359	4.7
256.09940	2.0
266.06915	2.1
269.05432	2.5
271.10956	5.5
281.06625	19.5
281.09378	7.9
284.08066	2.0
297.12415	1.3
299.10379	7.4
345.60208	1.2
375.11542	1.3
419.10941	100.0
419.18924	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64591	0.5
57.03434	0.5
59.01385	9.0
62.40006	0.5
67.12984	0.5
71.01390	4.1
73.02945	2.8
75.41195	0.5
81.50940	0.6
83.01358	0.7
85.02954	2.6
89.02454	3.8
93.03462	0.9
95.65192	0.6
99.00897	0.7
101.02437	5.4
107.05023	0.9
108.02233	0.6
111.14544	0.6
113.02444	2.6
119.04967	0.7
121.02960	3.3
123.04522	61.5
125.02436	3.4
129.01955	4.5
135.03081	1.0
137.06071	0.7
137.09824	0.9
145.75760	0.7
151.03975	2.4
153.05573	100.0
155.10774	1.0
167.03462	7.6
179.03491	1.0
201.88799	0.6
209.04512	3.4
213.09271	5.5
221.11836	1.5
227.16464	3.2
239.16786	0.7
257.08185	1.4
257.17639	3.0
315.08789	7.7
343.05933	3.0
345.09857	2.2
389.21777	3.8
401.21570	0.8
419.07767	4.4
419.13519	14.2
419.22867	23.5
419.30099	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	419.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64591	0.5
57.03434	0.5
59.01385	9.0
62.40006	0.5
67.12984	0.5
71.01390	4.1
73.02945	2.8
75.41195	0.5
81.50940	0.6
83.01358	0.7
85.02954	2.6
89.02454	3.8
93.03462	0.9
95.65192	0.6
99.00897	0.7
101.02437	5.4
107.05023	0.9
108.02233	0.6
111.14544	0.6
113.02444	2.6
119.04967	0.7
121.02960	3.3
123.04522	61.5
125.02436	3.4
129.01955	4.5
135.03081	1.0
137.06071	0.7
137.09824	0.9
145.75760	0.7
151.03975	2.4
153.05573	100.0
155.10774	1.0
167.03462	7.6
179.03491	1.0
201.88799	0.6
209.04512	3.4
213.09271	5.5
221.11836	1.5
227.16464	3.2
239.16786	0.7
257.08185	1.4
257.17639	3.0
315.08789	7.7
343.05933	3.0
345.09857	2.2
389.21777	3.8
401.21570	0.8
419.07767	4.4
419.13519	14.2
419.22867	23.5
419.30099	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	419.1354
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
70.43457	1.1
71.44421	1.1
81.03461	5.3
92.20065	3.4
95.05025	7.5
97.02967	2.4
120.17700	1.4
123.04520	7.7
125.02428	22.9
126.24336	1.2
128.89388	1.3
139.04025	1.2
164.04762	1.6
167.03503	51.3
173.06062	4.8
179.03633	1.3
197.04582	3.0
199.87210	1.2
213.09180	7.3
215.07210	5.8
227.10754	11.4
231.10323	1.3
255.10190	5.9
257.08197	32.0
269.08234	7.9
299.09268	100.0
329.10287	27.7
401.12607	1.7
419.13486	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	419.1353
Annotation	Isorhapontigenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.72614	0.5
59.01375	1.2
62.26631	0.6
63.61422	0.7
75.30215	0.6
80.24294	0.5
92.19466	0.6
119.67603	0.6
122.52542	0.6
172.05397	4.1
177.12799	1.0
180.00537	0.6
185.06007	0.9
197.06094	0.8
199.04129	0.6
214.06334	0.7
219.69273	0.5
220.78979	0.6
224.04739	8.1
225.05568	1.1
241.05066	73.1
242.05856	18.0
257.08197	100.0
344.50214	0.6
409.28629	0.6
419.13516	8.8
419.18283	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52737	0.9
59.01385	96.9
70.62793	1.0
95.64580	1.2
96.96947	1.2
137.02426	2.4
154.98018	1.5
182.05844	37.1
182.07433	1.6
197.08199	100.0
223.14209	1.1
352.69196	1.1
359.13641	2.5
419.16150	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20718	1.5
58.00591	1.7
59.01385	100.0
71.01380	40.2
83.01389	2.0
85.02937	3.6
89.02444	61.0
94.15984	1.4
95.01389	2.9
101.02441	27.4
113.02462	21.7
119.03500	23.1
122.02448	2.5
122.03690	1.6
123.02786	3.1
125.02447	1.6
131.03491	1.8
143.03471	6.2
149.23962	1.7
161.04539	6.2
164.04813	33.9
179.05602	20.2
179.07141	32.3
197.08231	13.3
359.13412	38.4
394.07593	1.6
443.75381	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	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67582	1.1
52.31642	1.2
60.99304	9.7
66.92008	1.1
73.93486	1.2
82.73140	1.3
88.98802	100.0
102.88522	1.3
117.03474	2.3
170.94064	1.4
225.01965	1.5
289.01709	1.4
329.17593	85.7
343.06143	10.1
419.07440	46.5
430.51630	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	31.5
67.79883	0.7
71.01381	20.2
72.99290	0.8
73.02946	5.0
80.71473	0.6
83.01388	4.2
85.02959	8.9
87.00837	0.8
88.98804	4.8
89.02449	15.2
95.01385	0.9
99.00887	1.0
101.02446	22.2
101.26026	0.7
109.02963	0.9
113.02454	10.5
119.03503	5.3
123.04553	1.2
123.08154	0.7
125.02413	1.2
145.02966	0.7
149.02452	1.1
161.58398	0.8
177.12865	4.7
180.04691	0.7
195.13927	3.0
197.08211	1.5
203.07126	0.8
205.05093	1.2
213.15216	0.8
221.11807	1.2
239.12874	5.4
245.08154	0.9
247.06190	0.8
286.95898	0.8
289.07117	1.7
347.13498	1.0
357.76062	0.8
359.07849	3.8
359.13287	1.1
388.19000	0.8
401.09061	1.7
401.18182	7.2
419.09970	5.2
419.19281	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	66.6
59.15895	1.3
71.00999	2.0
71.01385	42.0
73.02938	12.9
84.64223	1.2
85.02962	3.2
89.02442	100.0
90.08829	1.4
92.20098	2.5
92.76739	1.1
99.00887	30.5
101.02444	32.0
109.02953	22.6
113.02451	10.8
119.03481	7.6
125.02415	2.0
131.03523	13.3
131.19016	1.3
135.04591	1.5
149.03458	1.9
149.04564	38.6
153.01935	40.9
161.04521	2.3
179.05617	1.6
191.05643	16.3
221.06743	3.2
251.07761	5.4
253.08781	2.4
419.18961	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
59.01386	23.7
59.78968	0.9
60.72525	0.9
65.79776	1.0
66.42426	1.0
71.01379	21.2
73.02948	9.1
83.01385	4.5
84.03329	1.1
85.02952	12.5
89.02460	5.9
95.01379	2.0
99.00864	1.3
99.35409	1.3
101.02440	18.9
113.02467	9.9
119.03458	1.3
182.53638	1.1
195.13913	5.0
210.02907	1.1
269.08133	1.4
295.51834	1.3
299.09262	1.3
300.10092	4.5
312.10217	1.7
315.12518	5.9
383.04886	1.0
401.18289	4.6
413.19299	1.1
419.19238	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34966	14.4
57.05846	13.4
59.01371	28.9
60.87749	19.9
61.98826	21.4
62.45132	15.5
86.48543	19.9
89.33099	16.2
97.20286	17.6
204.21169	18.4
383.24341	100.0
419.11267	75.0
419.27676	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77084	1.0
54.29900	1.0
58.04411	1.0
59.01385	100.0
60.33982	1.0
61.98855	1.7
65.08232	1.1
68.48756	1.3
79.71273	1.1
88.98807	5.3
93.84772	1.3
95.11839	1.3
106.86832	1.3
139.27628	1.4
177.05479	1.3
189.25374	1.3
225.18529	2.0
269.04553	5.0
329.17590	2.6
419.07208	11.7
419.16901	5.0
419.28143	2.6
428.72479	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41840	61.0
77.85284	81.7
79.61810	77.0
92.82236	67.2
105.86361	70.1
163.17627	72.3
201.69011	100.0
336.76089	73.7
341.17496	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64332	20.0
59.01378	37.2
71.05102	20.3
72.42586	22.4
83.90765	25.8
92.53808	22.7
123.07278	23.3
126.75085	21.7
216.77359	21.9
269.04514	37.8
284.09149	22.7
309.58435	24.8
353.08728	23.3
419.07458	100.0
419.28296	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94685	15.2
67.33521	14.5
70.33327	14.5
79.12488	14.6
82.34027	16.4
84.76946	15.5
125.21823	15.9
133.42851	15.5
162.92540	20.8
169.52774	16.9
239.16493	32.4
243.05815	19.0
255.10591	22.0
269.04303	18.1
319.92099	17.9
372.05444	23.9
383.07245	21.3
401.26904	24.4
419.10370	100.0
419.24063	88.2
419.28705	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	419.2441
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03426	1.0
59.01383	0.9
76.89522	0.6
78.68645	0.6
79.29202	0.5
81.03456	8.2
82.78036	0.6
83.01393	1.1
91.48798	0.6
121.46365	0.6
122.03726	1.3
125.02442	18.7
125.09682	1.0
151.00371	0.8
185.11867	0.7
187.14954	1.5
189.12708	0.6
205.12428	1.1
205.70825	0.6
211.13365	0.7
231.13916	3.8
249.14973	0.8
306.48807	0.7
327.23416	2.5
357.24298	3.7
375.25327	0.7
401.23160	9.6
419.24377	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	419.2439
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03445	0.9
59.01376	0.7
60.06063	0.3
60.53234	0.3
63.32071	0.4
67.28344	0.4
81.03461	6.0
83.01381	0.8
83.05016	0.4
85.06543	0.6
85.83162	0.4
97.01086	0.4
108.52358	0.5
115.07642	0.7
122.03764	2.8
123.04443	0.4
125.01553	0.7
125.02440	17.1
129.09216	1.0
151.00348	0.8
173.06456	0.5
217.15939	0.9
219.13782	0.8
259.17001	7.9
303.16003	0.9
335.22299	0.6
357.24380	0.7
375.25391	2.6
401.23248	0.7
405.23526	0.5
419.24414	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	419.2442
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.14091	0.5
52.93427	0.5
55.78349	0.5
57.03452	0.8
57.43722	0.5
62.87379	0.5
64.31280	0.6
78.69215	0.6
81.03460	6.1
83.01404	1.0
83.05005	1.0
122.03713	2.4
123.04523	0.7
125.02448	11.0
151.00388	1.0
179.03378	0.6
224.92340	0.6
233.99316	0.7
235.13387	1.3
327.23456	1.1
357.24387	2.9
375.25327	2.9
419.24405	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	419.2442
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
56.04591	0.5
57.03445	2.1
60.46479	0.5
68.99868	0.5
76.33942	0.4
77.11497	0.5
81.03009	0.6
81.03460	11.5
83.01389	1.1
85.29846	0.4
103.30489	0.4
107.01412	0.6
107.58103	0.5
112.87201	0.4
123.91801	0.5
125.02430	21.9
151.00317	0.7
168.04514	0.5
235.13187	0.6
252.41139	0.5
293.21243	1.1
315.23325	2.8
333.24197	3.4
335.22232	1.8
357.24359	1.0
375.25421	15.3
419.24417	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	419.2446
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
56.40850	0.9
57.03445	2.4
62.76091	1.0
82.42063	1.1
83.01348	4.0
107.01378	1.5
125.02443	100.0
135.44760	1.2
140.49652	1.2
140.57881	1.2
167.03540	1.8
271.86526	1.3
419.24414	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72872	0.3
57.30625	0.3
59.01105	0.5
59.01380	7.7
60.10456	0.3
61.17079	0.3
61.98836	4.6
70.59479	0.3
71.01379	7.3
73.02937	2.1
83.01380	1.8
85.02956	3.9
87.00864	0.6
89.02492	0.5
92.20089	0.7
97.02964	0.4
99.00887	0.6
101.02451	6.3
111.00882	0.5
113.02424	2.9
117.03466	0.9
125.02474	0.6
198.03358	0.4
211.20660	0.8
225.01802	0.6
257.04681	0.7
257.21216	30.2
269.21408	0.5
287.22336	4.3
299.22327	0.4
343.06198	5.1
375.19687	0.4
395.19485	0.4
401.25659	3.3
419.07440	6.8
419.26538	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	419.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55145	0.7
53.93658	0.8
59.01386	100.0
74.87926	0.9
132.26381	0.9
147.22224	1.0
225.18652	1.6
246.93997	1.1
285.20822	1.2
300.90417	0.9
313.15390	0.9
381.22787	1.7
444.07703	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	419.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72400	0.4
57.03445	0.6
59.01389	7.3
63.66002	0.5
71.01376	7.4
73.02943	3.2
83.01384	0.8
85.02934	3.8
89.02438	0.7
95.01327	0.6
99.00801	0.6
101.02431	6.5
107.69121	0.5
110.42022	0.5
113.02415	2.4
122.79991	0.5
125.02425	0.9
190.21094	0.5
211.20732	1.1
239.20189	0.6
253.56956	0.5
257.21219	37.7
401.25443	4.3
419.26538	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	419.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48734	0.5
59.01387	15.9
59.52775	0.5
71.01379	10.8
71.78777	0.5
72.82276	0.5
73.02933	1.3
83.01346	0.5
85.02944	2.6
89.02435	9.6
95.01385	1.0
101.02441	8.9
113.02438	6.5
116.74508	0.5
119.03506	3.5
123.15830	0.5
129.17114	0.6
158.31223	0.5
180.29869	0.5
192.66913	0.6
219.40924	0.5
239.20164	7.2
257.21225	18.9
401.25455	1.3
419.26544	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	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75587	0.5
54.31121	0.5
57.03476	0.5
59.01383	100.0
64.30541	0.6
64.76333	0.6
68.58846	0.5
71.01382	3.2
72.24068	0.5
73.02898	0.5
82.75510	0.5
85.02937	3.3
89.02444	1.2
101.02416	2.5
113.02409	1.2
115.00381	0.7
120.80073	0.6
123.04507	1.4
125.02426	1.1
125.96445	0.6
132.68889	0.6
133.01459	1.0
137.06070	0.8
153.01907	1.3
165.05595	0.9
167.03491	5.7
209.04570	0.9
213.09509	0.6
233.22694	2.6
242.05850	23.4
257.08188	28.2
257.17529	4.1
273.07623	0.7
275.23856	1.0
287.22281	3.3
315.08670	7.4
345.09790	1.5
359.28061	20.8
419.08237	0.8
419.13528	3.0
419.22281	14.6
419.30234	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	420.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23224	1.1
58.04637	1.2
59.01365	1.3
61.98833	18.8
68.65430	1.3
72.23991	1.1
74.27068	1.1
83.01383	2.3
95.04972	1.4
97.02920	3.0
102.77748	1.2
109.02936	16.5
117.03377	1.2
119.04987	1.3
121.02969	2.5
122.03682	4.5
123.04510	8.5
125.02447	16.8
133.33788	1.3
134.98953	1.2
135.04439	1.5
137.02444	33.7
139.04022	1.8
143.04984	2.9
145.03009	2.1
149.02420	2.4
151.04005	13.3
161.02420	7.2
161.06056	8.2
164.01143	5.6
164.03506	12.9
165.01938	12.1
175.03984	1.7
177.01866	2.8
179.03474	8.7
185.06088	1.3
187.04002	5.7
188.04750	2.6
190.16273	1.2
198.50633	1.3
202.06358	2.6
203.02235	5.9
203.07124	16.8
205.05098	16.6
218.67426	1.2
221.08209	3.0
227.07085	2.8
229.05077	4.5
231.03133	1.5
241.05144	2.2
245.08150	21.0
247.05946	4.0
255.06610	1.3
289.07190	100.0
307.09891	1.9
326.06723	20.0
393.09799	11.8
420.10861	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1302
Annotation	909910-43-6
Peak:m/z	Relative Intensity
53.36171	0.2
59.01385	0.3
61.98835	3.1
63.28825	0.2
75.20667	0.2
82.09428	0.2
85.06899	0.2
104.50430	0.2
110.02483	0.2
122.02475	8.5
123.04517	54.0
135.04486	0.3
136.04097	0.3
153.05573	100.0
163.84622	0.2
240.11646	0.2
253.78938	0.2
297.09769	1.0
420.13062	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	420.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74932	0.5
61.98835	1.7
121.00246	0.7
129.28314	0.8
280.58719	0.8
289.21710	1.2
303.23233	1.1
305.17545	0.7
313.21878	0.8
329.21216	3.8
331.22797	16.0
347.22299	13.4
349.23853	74.0
357.20758	3.8
368.02942	0.8
373.93079	0.7
375.21762	51.5
393.22845	100.0
420.23886	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	420.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66754	0.4
60.15972	0.3
60.37159	0.4
71.54533	0.4
75.35342	0.4
80.50613	0.4
80.53485	0.4
81.03459	4.4
94.88573	0.4
101.83910	0.4
125.02432	19.7
131.94626	0.5
190.66122	0.4
267.19720	0.6
285.85641	0.5
289.21579	2.0
307.22632	1.2
331.22751	2.4
349.23892	11.1
393.22855	100.0
420.23972	28.8
420.29633	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	421.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54948	0.2
59.01372	0.3
63.98843	0.2
64.78842	0.2
71.01379	0.2
83.38110	0.2
85.02940	2.8
87.00849	0.3
87.51844	0.2
90.71918	0.2
93.03456	0.9
109.02904	0.3
111.04501	0.4
117.25502	0.2
124.66695	0.2
127.04015	1.0
173.04517	0.9
191.05614	100.0
247.01329	0.4
257.54803	0.2
421.07553	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0756
Annotation	mannose-1D-myo-inositol 1-phosphate
Peak:m/z	Relative Intensity
50.03160	0.9
52.00070	1.0
57.01762	0.9
58.70078	1.1
78.68604	1.0
78.95908	91.4
96.96960	64.6
97.41092	1.2
138.98055	6.7
140.68571	1.2
150.98048	15.0
191.05640	20.2
193.43236	1.2
198.66794	1.2
202.98972	1.2
223.00215	2.4
229.01181	1.5
231.03574	23.4
241.01213	24.8
247.01369	22.1
259.02222	1.4
273.04813	7.5
287.02588	2.6
289.04254	2.2
301.04236	5.7
317.01788	11.9
331.05273	14.6
341.99615	1.3
349.06290	20.9
377.04169	4.8
420.04614	1.4
421.07669	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94500	1.2
59.01379	2.6
81.03449	2.3
83.01411	2.1
97.02949	2.0
104.93987	1.4
117.36179	1.7
123.11398	1.6
125.02439	21.9
149.02507	1.5
149.06000	5.4
151.00333	2.1
151.04048	2.5
165.01950	3.0
173.06087	1.5
175.03973	7.2
191.07167	5.8
193.01373	7.5
200.04799	2.7
214.06319	2.8
215.07175	9.1
217.05032	2.8
229.08591	3.4
257.04407	3.0
257.08292	3.5
258.05222	5.7
259.02579	13.6
259.06076	24.4
271.06042	9.1
273.07751	5.6
275.68225	1.5
285.07657	2.5
301.07187	100.0
301.10577	3.5
313.07132	2.4
331.08282	28.7
343.08466	1.9
345.72528	1.4
394.48471	1.8
421.11850	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	421.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15800	0.7
51.66975	0.6
53.93268	0.9
58.62340	0.7
59.01388	1.5
62.99391	0.7
66.43332	0.8
71.01385	2.9
87.00867	1.4
97.80685	0.8
101.02444	3.8
113.02455	1.8
145.02942	1.8
147.04437	1.0
149.02444	8.5
150.03224	26.5
152.80354	0.8
160.58286	0.9
161.04546	3.1
162.03255	3.5
162.58734	1.0
164.04797	23.5
165.05576	100.0
170.32245	0.8
177.05568	1.5
180.04306	2.0
185.27074	0.8
195.06627	29.4
230.39058	1.0
327.07117	1.6
327.10892	41.9
352.58569	0.9
357.11911	5.6
375.12723	1.4
431.05905	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	421.1508
Annotation	Piptocarphin A
Peak:m/z	Relative Intensity
51.32105	0.8
59.01372	1.0
66.52171	0.8
71.01402	1.0
73.02978	1.3
75.72136	0.7
81.36636	0.8
85.22640	0.8
87.00875	6.4
89.02431	0.9
99.00869	4.6
109.02924	0.9
117.01936	8.0
121.02949	0.9
122.03735	5.4
123.04544	5.1
123.33983	0.8
125.70585	0.8
126.82816	0.8
136.05287	3.5
137.02463	7.1
148.05356	1.1
149.02464	1.7
150.03267	3.2
151.04022	7.0
152.04787	11.1
163.03999	1.8
164.04788	2.1
165.05574	11.3
176.04793	4.3
177.05608	1.0
178.06361	1.5
184.03801	1.2
191.03560	1.6
191.07126	2.1
192.04321	3.8
194.05836	1.3
205.05147	1.0
205.32899	0.8
206.05911	1.6
207.06628	3.4
209.08205	1.6
214.24745	0.9
222.05324	1.5
223.06105	1.9
227.57877	0.8
235.06046	2.8
259.19244	3.6
315.08817	3.9
325.07108	4.0
330.11136	17.5
340.09476	2.0
343.08218	1.6
345.13458	16.1
355.11951	1.4
358.10617	7.5
366.51224	1.0
373.13138	6.0
403.14102	1.8
421.15103	100.0
421.23889	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	421.1553
Annotation	Losartan
Peak:m/z	Relative Intensity
56.07587	5.4
59.01385	8.9
61.58191	5.4
61.85961	6.3
74.50794	6.1
97.91708	6.2
110.91788	6.4
132.75337	6.6
216.75717	7.2
374.86639	6.6
421.15640	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	421.1869
Annotation	Maoecrystal I
Peak:m/z	Relative Intensity
60.99312	10.9
65.35281	1.5
77.66673	1.8
81.18225	1.4
82.35600	1.4
88.98803	100.0
121.04586	1.4
127.80621	1.7
331.19128	18.3
351.25058	1.5
421.08792	51.9
421.19824	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	421.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93384	11.0
58.35939	13.2
61.93242	12.1
80.05927	11.7
255.02979	17.7
257.04752	13.2
269.04636	20.3
283.45291	13.5
291.19559	14.1
326.15567	16.5
341.13766	19.9
341.17618	19.7
363.20947	13.9
421.09442	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40128	1.1
55.01864	2.0
57.03431	2.6
59.01384	57.5
61.98809	2.0
71.01379	62.5
73.02950	19.0
80.60339	1.3
83.01385	8.7
85.02948	26.1
87.00840	5.6
89.02442	30.4
89.09367	1.3
92.20114	1.6
95.01355	2.8
97.02885	2.2
99.00844	7.6
101.02444	43.7
111.00826	6.8
113.01823	1.3
113.02441	22.5
119.03441	1.6
122.03744	33.7
123.04481	2.1
125.02371	5.8
126.74679	1.3
131.03513	14.3
143.03459	1.3
149.04468	6.0
151.91847	1.2
154.02652	1.6
161.04536	9.9
164.75594	1.2
191.05540	1.6
192.21877	1.2
259.09741	100.0
259.18976	6.2
261.97418	1.4
289.16583	26.8
292.20163	1.5
293.08517	2.3
329.02960	1.4
421.15970	3.7
421.20490	89.1
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	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01875	3.0
57.03448	1.1
59.01111	1.0
59.01383	18.9
71.01379	42.1
73.02938	23.2
75.00868	1.0
83.01372	7.2
83.60228	0.7
85.02946	23.9
85.54478	0.7
87.00901	2.3
89.02447	9.7
91.66087	0.6
92.20007	1.0
95.01392	4.3
97.02936	3.0
99.00871	8.0
101.02440	39.9
101.03109	1.5
113.02445	23.0
118.63511	0.7
125.02422	3.7
127.11263	1.0
131.03464	1.6
143.03528	0.8
155.52769	0.7
159.02945	1.4
161.04543	10.4
233.06573	1.0
247.13214	0.6
289.16577	27.0
293.08844	0.8
354.48212	0.7
360.28720	0.7
371.04550	0.8
421.20795	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	421.2234
Annotation	CHEBI:67674
Peak:m/z	Relative Intensity
52.88160	0.5
62.57109	0.6
68.82952	0.6
68.99803	2.6
77.09695	0.5
77.88731	0.5
85.29925	0.5
111.00844	0.7
125.02420	2.4
153.01929	3.9
160.85420	0.6
178.99823	2.8
267.19464	0.8
309.20734	2.6
349.24164	0.8
375.21829	0.9
393.22858	2.3
403.21356	2.5
419.20804	14.8
421.22314	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	421.2266
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
50.26213	0.5
54.31147	0.5
67.64726	0.6
80.96518	100.0
96.10323	0.6
134.33376	0.5
152.10185	0.6
152.99609	1.2
218.24753	0.6
317.24002	0.6
362.70612	0.6
421.22687	46.6
438.03976	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97914	11.8
52.14216	13.8
53.65705	12.6
59.01374	20.1
70.31759	13.3
84.63163	17.4
85.30299	14.2
111.00864	36.5
125.09691	17.5
132.27289	14.6
233.15433	100.0
268.67050	14.5
285.20761	78.2
394.23135	21.3
403.24991	92.5
421.25650	73.7
444.06018	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	421.2599
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.04506	0.3
55.15052	0.3
57.03450	3.9
59.58816	0.3
60.04128	0.3
65.65747	0.3
70.74315	0.3
81.03471	0.5
83.01387	5.2
94.75074	0.3
107.01413	0.4
114.87424	0.3
121.02937	0.4
123.04527	0.6
125.02436	100.0
149.02441	1.7
167.03491	1.5
203.14676	0.4
222.84615	0.4
263.05652	0.4
295.22717	3.2
314.09848	0.3
368.84634	0.4
421.25989	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.26
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
57.03431	0.8
58.07708	0.4
59.01379	0.7
77.42599	0.5
81.03454	5.9
83.01395	0.8
83.05032	0.7
88.53415	0.5
91.21705	0.4
100.74609	0.4
111.00858	2.5
121.33190	0.5
122.03743	1.1
125.02428	14.5
135.04480	0.5
143.88638	0.6
151.00359	0.9
172.17928	0.5
249.14951	0.8
287.23868	0.8
309.20615	0.9
317.25052	1.7
329.24902	0.7
337.23868	0.7
341.24991	1.9
359.25970	10.4
377.26938	1.1
403.25073	1.1
421.26004	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	421.2596
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
60.93655	2.1
71.06729	2.0
81.03451	5.8
125.02429	14.9
128.74986	2.4
148.14130	2.3
174.92577	2.9
359.25912	5.5
421.26013	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	421.2599
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
59.01377	0.7
65.00316	0.5
65.61987	0.5
81.03458	7.7
83.01376	1.0
83.05027	0.6
97.84918	0.5
122.03740	0.6
125.02437	22.0
136.05260	0.6
171.68748	0.5
183.59500	0.5
293.24854	0.6
295.22839	1.9
307.26385	0.6
317.24738	3.3
335.25851	1.1
337.23773	0.7
358.22079	0.5
359.26010	2.8
377.27005	10.3
421.26007	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	421.2598
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.91859	0.6
56.56846	0.8
59.01374	3.5
64.65756	0.7
83.05027	5.0
84.31952	0.8
85.06586	1.1
111.08163	3.7
125.02428	4.9
125.09721	7.6
151.76086	0.8
153.09178	1.2
159.11887	1.2
171.10283	17.9
187.14961	1.2
205.15968	4.7
209.11768	1.5
211.13431	3.6
215.14444	1.6
221.15463	3.1
224.70795	0.8
231.13869	1.8
233.15466	28.0
237.14998	1.1
249.14963	4.1
257.17709	1.1
276.48505	1.0
283.19156	1.6
295.19482	0.9
331.26190	2.7
341.24878	1.3
361.11005	1.7
367.22852	1.2
385.23749	1.2
393.26437	1.3
403.24875	26.5
421.26007	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	421.2599
Annotation	Lovastatin acid (Mevinolinic acid)
Peak:m/z	Relative Intensity
57.03444	1.0
61.14874	0.4
68.75666	0.4
81.03445	6.3
83.05029	0.6
122.03729	2.3
123.04569	0.6
125.02441	7.9
136.05318	0.7
150.94368	0.5
151.00398	2.3
196.50191	0.5
201.12900	0.5
219.13928	0.8
335.25781	0.8
337.23868	3.0
359.25943	1.1
377.27029	12.5
403.24985	0.9
421.25995	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	421.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87133	0.7
55.72219	0.7
59.01385	100.0
75.53565	0.6
75.82851	0.7
77.34676	0.7
84.52039	0.8
97.11742	0.8
184.03900	0.8
225.46388	1.0
227.20201	18.4
269.21219	1.2
287.22180	1.7
343.30441	0.8
415.57428	0.9
421.20889	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	423.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10044	0.4
59.01354	0.6
71.01403	0.6
75.07253	0.6
78.95905	30.5
96.96031	16.2
96.96956	100.0
119.04939	0.7
145.02943	15.3
161.04530	0.8
161.90417	0.6
163.04008	2.3
179.05602	0.6
325.09296	12.5
423.07056	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	423.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73161	0.9
78.95907	37.1
87.00881	1.3
96.95985	5.5
96.96958	100.0
117.03425	1.3
119.05033	5.2
138.69470	1.0
145.02959	78.3
161.04512	2.1
163.04039	7.4
179.05592	4.9
197.21858	1.0
210.20825	1.2
235.27185	1.0
239.74706	1.1
325.09302	52.6
423.06891	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	423.0726
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
59.01377	0.9
71.01372	1.0
85.02957	0.5
87.67293	0.5
89.02413	0.6
97.69418	0.5
109.02940	3.0
111.04511	3.1
119.05009	7.9
125.02451	7.3
137.02446	1.0
139.03995	5.6
163.04033	13.2
167.03539	4.9
174.17798	0.5
175.03976	1.9
184.01715	0.5
199.03946	1.1
211.04018	2.3
213.05542	1.1
215.03522	0.8
227.03534	2.8
228.04268	2.9
229.05049	1.9
239.03470	2.9
241.05067	0.6
242.02258	0.6
243.03001	18.6
253.05002	2.6
255.03001	46.6
256.03781	21.6
256.06433	1.0
257.04565	5.4
269.04578	8.1
277.05185	0.6
280.03583	0.5
282.01636	4.5
283.02499	28.2
285.04037	8.3
297.04059	13.6
298.04874	2.4
299.05624	2.6
345.09744	0.5
359.05844	0.5
379.08383	0.7
387.04883	0.7
405.06268	0.5
423.07260	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	423.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91540	0.7
62.57638	0.7
70.29308	0.7
75.07626	0.9
101.29070	0.7
109.02963	6.4
117.71642	0.7
121.54475	0.7
123.04539	5.8
133.06671	0.8
151.04018	4.6
156.40283	0.7
191.03621	5.3
201.05655	0.8
203.03444	1.0
214.02771	1.1
223.80748	0.8
229.01437	3.4
229.04964	1.1
230.10538	0.8
231.02951	1.5
243.02991	6.8
258.01730	40.5
259.02515	19.8
269.04623	0.9
270.05179	1.8
271.02478	26.0
272.03128	6.5
273.04050	4.2
285.04056	3.3
298.01208	3.4
299.01971	30.5
301.03522	3.4
313.03592	4.2
339.75146	0.8
355.08267	1.7
370.13223	1.0
379.08401	1.7
423.07251	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	423.0724
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
53.51007	0.7
57.16756	0.8
63.46611	0.7
68.21700	1.0
92.19417	1.6
102.09776	0.8
109.02959	7.6
123.04510	5.6
129.08900	0.9
151.03993	4.8
159.17833	0.9
191.03487	6.8
203.03642	1.1
214.02744	0.9
217.01581	0.9
227.03477	1.1
229.01384	1.1
231.03000	1.4
243.03012	6.2
258.01706	46.1
259.02463	17.9
270.05408	1.7
271.02502	23.7
272.03244	11.8
273.04080	5.9
285.04150	4.2
298.01273	3.4
299.01974	32.6
301.03607	4.8
313.03574	3.5
355.08234	1.7
379.08301	1.2
421.37115	1.0
423.07269	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	423.0725
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
59.01375	2.4
60.07531	1.4
71.90784	1.8
77.10687	1.7
103.25046	1.5
107.02244	1.4
186.34201	1.6
191.03485	3.2
229.01712	1.8
243.03047	1.9
249.80894	1.6
258.01782	27.0
259.02438	15.0
271.02518	31.5
272.03268	43.4
285.04025	2.5
298.01263	2.8
299.01913	3.3
301.03479	3.4
318.71237	1.6
343.69681	1.7
386.02670	2.0
412.96909	1.7
423.07230	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	423.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85162	0.9
59.01384	5.7
71.01382	4.3
73.02921	1.5
75.11347	0.8
75.94489	1.0
77.20506	0.8
80.18778	0.9
85.02945	1.2
92.61588	0.9
97.02959	4.2
101.02444	2.1
109.02925	13.5
113.02418	1.2
121.02908	1.0
123.04513	8.7
125.02431	18.0
137.02437	9.6
139.03993	1.5
149.02412	4.9
151.03998	7.2
159.04523	1.1
161.06067	5.7
163.03926	0.9
165.01929	4.0
167.03520	2.2
175.03963	2.0
179.03464	9.9
179.07069	1.5
187.03992	3.9
188.04790	4.0
191.07014	1.3
202.06374	2.0
203.07146	19.9
204.35565	0.9
205.05095	17.5
221.08205	2.0
226.27542	1.0
227.07185	2.2
230.03699	1.1
230.05812	1.4
231.02844	1.4
245.08176	31.3
247.06200	3.3
257.18619	1.1
274.38986	1.0
275.12970	1.2
289.07172	60.7
299.12701	1.4
343.11792	10.3
350.85431	1.1
384.27963	1.0
387.14505	100.0
423.21570	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	423.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85162	0.9
59.01384	5.7
71.01382	4.3
73.02921	1.5
75.11347	0.8
75.94489	1.0
77.20506	0.8
80.18778	0.9
85.02945	1.2
92.61588	0.9
97.02959	4.2
101.02444	2.1
109.02925	13.5
113.02418	1.2
121.02908	1.0
123.04513	8.7
125.02431	18.0
137.02437	9.6
139.03993	1.5
149.02412	4.9
151.03998	7.2
159.04523	1.1
161.06067	5.7
163.03926	0.9
165.01929	4.0
167.03520	2.2
175.03963	2.0
179.03464	9.9
179.07069	1.5
187.03992	3.9
188.04790	4.0
191.07014	1.3
202.06374	2.0
203.07146	19.9
204.35565	0.9
205.05095	17.5
221.08205	2.0
226.27542	1.0
227.07185	2.2
230.03699	1.1
230.05812	1.4
231.02844	1.4
245.08176	31.3
247.06200	3.3
257.18619	1.1
274.38986	1.0
275.12970	1.2
289.07172	60.7
299.12701	1.4
343.11792	10.3
350.85431	1.1
384.27963	1.0
387.14505	100.0
423.21570	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	423.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91419	1.1
58.83671	1.0
59.01375	4.7
61.66655	1.0
65.36427	1.1
66.51214	1.1
70.25393	1.0
71.01375	2.1
73.02930	1.9
83.01376	2.0
85.02962	1.3
85.49331	1.2
88.75105	1.1
89.02452	2.7
93.03453	4.7
95.05042	1.7
97.02945	6.4
101.02434	7.0
109.02946	22.6
122.03726	1.3
123.04514	14.1
125.02422	14.4
137.02481	9.1
139.03986	2.5
149.02402	6.2
151.03983	11.1
159.04556	1.8
160.05315	1.4
161.06044	6.7
162.03191	2.5
165.01901	6.8
165.05579	1.8
168.31393	1.3
175.04065	1.4
175.07593	2.4
177.05618	1.5
179.03488	6.8
187.04044	7.0
188.04791	7.1
203.07158	21.0
205.05037	16.9
221.08192	2.5
227.07033	2.1
233.51233	1.2
245.08199	22.3
247.06108	2.6
253.61137	1.2
271.02356	1.4
271.05951	1.7
289.07181	100.0
329.10416	8.1
423.06952	4.5
423.14294	14.2
423.22617	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	423.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95584	0.6
53.96774	0.8
59.01384	57.7
60.29033	0.7
71.01379	27.3
72.99295	1.2
73.02937	1.5
75.00873	4.3
78.95911	5.5
81.06609	1.2
81.07095	35.0
83.01401	1.6
85.02926	5.6
89.02440	45.7
89.43125	0.8
95.01363	1.1
101.02442	27.5
102.70337	0.7
106.17345	0.8
113.02448	16.8
116.92875	1.1
119.03493	14.6
125.02415	0.9
125.06093	3.2
135.03006	5.6
137.02512	1.0
143.07170	1.1
151.03970	1.5
161.04478	0.8
164.27205	0.7
165.05673	1.0
166.36017	0.8
179.05484	0.8
195.06494	0.8
236.60600	0.7
243.02977	1.4
255.03056	3.5
305.12424	42.3
307.13953	1.3
363.16605	5.2
423.07819	3.2
423.15100	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.7
68.92207	5.1
76.88357	4.8
82.35545	4.3
101.02422	6.9
159.67055	4.8
180.57329	4.9
193.56248	5.1
322.36578	5.3
423.18082	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	423.1787
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
50.80286	1.2
59.01382	11.1
61.86772	1.5
66.52937	1.4
69.56949	1.4
70.68929	1.5
71.01339	2.4
73.02953	3.9
89.02422	1.8
101.02439	6.5
111.00906	2.1
113.02436	2.6
125.02485	1.7
137.09747	1.7
145.08704	8.2
150.41316	1.6
155.10750	1.8
159.10275	6.2
423.18195	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31564	5.1
54.97263	5.3
57.99093	5.6
59.01381	10.4
64.83250	5.7
71.01347	9.3
84.09216	6.3
89.02420	11.6
101.02488	8.2
126.16709	6.8
335.17117	10.5
423.17981	100.0
442.04987	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	423.1792
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
53.14582	6.8
56.06739	6.4
59.01365	7.1
59.02569	7.4
71.01389	7.1
120.46965	8.4
146.08087	8.2
184.77725	8.1
191.85980	7.5
194.02460	8.6
335.17053	9.7
423.12961	11.9
423.17932	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	423.1795
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
55.17111	3.2
59.01386	15.7
74.80528	3.1
89.02481	5.0
96.02648	3.9
118.10256	3.3
146.43582	3.6
149.06093	4.5
167.84782	3.4
176.29709	3.7
189.72150	3.8
199.47786	3.8
200.24118	3.7
249.14978	6.2
357.07889	6.8
423.11810	6.8
423.17596	100.0
423.22867	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00068	4.2
59.01392	36.4
63.75235	4.6
67.44582	4.1
71.01378	5.0
71.17182	5.1
80.05933	5.2
87.00868	20.4
94.80687	4.6
116.14910	5.1
119.05048	7.4
137.02422	5.3
139.04089	6.3
150.07462	4.4
163.04053	10.1
375.12427	8.9
423.17581	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98963	0.7
55.01882	1.9
57.03456	1.3
59.01384	20.1
59.61348	0.7
71.01378	30.6
71.82760	0.9
73.02946	22.9
79.26923	0.9
83.01404	6.4
85.02950	16.8
89.02436	6.5
91.52495	1.1
92.20129	0.9
95.01390	1.9
95.35699	0.9
97.02906	1.5
99.00884	7.9
101.02438	50.0
111.60107	1.0
113.02440	14.9
123.04529	8.7
125.02392	1.7
129.01924	1.2
135.06621	0.9
153.05551	14.0
159.03032	3.2
161.04562	6.1
204.16229	0.9
233.06514	1.2
262.16071	1.1
291.18152	29.2
339.87088	1.0
387.14639	1.7
387.20239	2.2
423.22385	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.20592	0.7
57.03451	1.1
57.69687	0.7
59.01099	1.2
59.01382	20.0
71.01377	29.7
73.02946	21.7
75.00854	1.2
83.01393	7.0
85.02950	19.5
87.00866	1.3
89.02422	6.0
95.01386	1.3
96.15819	0.9
97.02975	1.4
99.00881	8.3
101.02438	47.8
111.00893	0.9
113.02438	15.2
125.02431	2.1
131.03491	1.3
138.13715	0.9
155.37724	0.9
159.03009	2.1
161.04533	8.3
232.83170	0.9
245.08246	0.9
289.07205	3.4
291.18127	31.2
423.22403	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
59.01387	20.6
71.01388	30.3
73.02950	21.2
75.00875	1.1
83.01387	8.4
85.02953	19.4
89.02439	5.7
92.19386	1.8
94.25195	1.1
95.01378	1.3
97.02998	1.6
99.00869	6.7
101.02445	41.9
113.02434	14.8
125.02451	4.3
161.04529	6.7
161.05812	1.7
197.35793	1.0
205.05103	1.4
245.08167	1.1
252.93155	1.1
289.07294	8.9
291.18170	30.0
423.22415	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	423.2393
Annotation	Umbellacin D
Peak:m/z	Relative Intensity
51.34971	1.4
55.27795	1.6
56.17062	1.5
57.97336	1.5
65.19433	1.6
76.17738	1.8
96.01305	1.9
142.09393	2.0
153.01917	2.3
161.13072	1.9
174.93840	2.0
180.27106	1.7
330.23483	2.1
331.91931	2.2
421.22311	16.4
423.07645	2.5
423.23950	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	423.2521
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.89283	0.4
56.53034	0.4
64.56841	0.4
78.77285	0.4
78.95915	6.1
79.33471	0.5
96.66560	0.6
110.98528	8.6
122.41607	0.5
167.01132	9.9
167.96475	0.5
173.79503	0.6
185.02202	2.3
198.25255	0.5
255.23303	100.0
282.40103	0.6
378.60352	0.5
423.25189	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	423.2521
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
57.98060	2.0
63.34890	1.8
65.96018	1.6
75.87865	1.7
77.48031	1.6
110.98524	2.5
157.61406	2.4
185.02193	1.8
207.40070	1.9
234.16434	1.8
255.23300	100.0
423.25186	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	423.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67159	1.4
68.43513	1.6
86.09670	1.4
86.10327	1.7
92.20029	2.4
109.58430	1.5
110.98524	1.7
138.74597	1.8
158.56757	1.7
167.01096	1.5
175.62088	2.0
255.23305	100.0
423.25314	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	423.2756
Annotation	Muqubilone
Peak:m/z	Relative Intensity
54.07784	1.9
61.56694	1.6
61.99765	1.7
79.64674	1.9
81.03463	4.6
84.52399	1.9
111.00889	1.8
124.14876	2.4
125.02433	10.3
152.84091	2.1
177.60036	1.9
180.46732	2.3
351.00156	2.0
379.28360	14.1
423.27554	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	423.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02235	0.9
51.85155	1.0
57.03442	0.9
75.80029	1.1
81.03462	4.6
88.20962	1.1
95.05060	1.5
111.00868	1.2
113.80517	1.3
125.02415	11.3
127.15887	1.4
151.63994	1.2
154.90340	1.3
337.27533	1.6
361.27771	1.6
379.28528	11.7
384.59982	1.4
391.58530	1.3
422.08734	1.3
423.27557	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	423.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55306	73.5
84.37990	86.1
110.84674	87.3
124.23448	86.1
435.50488	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	423.2757
Annotation	Muqubilone
Peak:m/z	Relative Intensity
57.03448	2.1
58.00608	0.4
59.01390	0.4
62.30634	0.4
81.03456	7.6
83.01388	2.1
83.05033	0.5
95.05039	0.4
107.01357	0.4
122.03719	1.3
125.02446	25.1
141.12863	3.9
151.00401	0.7
153.12889	0.4
164.89095	0.3
165.12813	0.5
169.12256	1.3
171.13885	2.1
207.13956	1.5
231.43568	0.4
235.13434	3.4
245.49010	0.4
265.14450	0.4
295.26605	0.7
297.24435	1.2
319.31351	0.4
337.27502	5.6
343.26599	1.3
361.27496	1.7
377.26987	2.6
379.28674	2.8
381.26657	0.7
423.27579	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	423.3119
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
51.69312	0.8
57.03450	16.0
80.02686	1.1
85.02944	5.2
95.05024	17.7
96.02158	4.5
98.03733	6.7
111.00831	1.7
111.10057	1.0
120.05749	4.4
121.06573	1.7
219.49469	1.1
246.72791	1.1
265.25284	1.8
293.17282	1.1
305.24597	1.4
319.26364	1.9
319.29904	1.8
321.28021	5.7
335.29596	5.2
337.31079	5.7
361.31143	14.3
379.32175	41.2
423.31161	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	423.3274
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
60.09590	0.6
60.66093	0.6
70.79013	0.5
70.97409	0.6
85.31103	0.6
89.91591	0.6
94.51322	0.6
167.01071	0.8
180.62038	0.7
205.15988	100.0
255.23352	10.5
284.83344	0.7
330.77991	0.7
403.46082	0.7
423.26373	2.4
423.32770	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84441	0.9
52.94239	1.0
54.61942	0.9
59.01384	26.2
61.60012	1.1
71.01375	13.4
72.44992	1.0
72.99296	2.4
73.02941	1.1
75.00858	1.2
85.02950	2.3
87.35955	1.2
88.29772	1.0
88.41592	0.9
89.02432	10.0
98.06096	13.5
99.04514	37.7
101.02438	8.6
113.02429	6.9
119.03587	1.1
119.05022	45.5
125.48017	1.1
144.04549	2.8
151.04030	1.3
187.37166	1.3
188.10771	1.1
200.10867	1.5
215.00089	1.2
216.10364	1.3
237.53644	1.1
244.09769	12.0
262.10831	5.9
299.92542	1.3
368.09106	1.2
424.16141	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	424.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57251	2.3
57.80873	2.4
59.01381	5.9
61.98834	100.0
64.73755	2.5
64.90279	2.4
68.38459	2.4
69.98685	2.5
71.21015	2.6
83.89132	2.4
85.05877	2.7
113.54246	2.6
133.40707	3.1
142.90192	2.5
183.99352	2.8
213.81096	2.7
219.27408	2.3
287.91119	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	424.2861
Annotation	Veralodine
Peak:m/z	Relative Intensity
55.96087	0.3
62.53719	0.4
66.96268	0.4
68.60776	0.4
72.63213	0.3
82.10221	0.4
87.39378	0.4
88.68875	0.4
97.38472	0.4
102.71001	0.5
107.96638	0.4
113.76961	0.4
160.10812	0.4
162.10477	0.7
163.11287	96.4
163.39568	0.4
179.10771	3.8
218.79955	0.4
226.60550	0.5
242.58775	0.5
248.13907	1.1
248.16551	71.1
424.28610	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	425.0881
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03456	1.5
59.01381	11.3
64.04154	0.8
70.43030	0.9
71.01384	5.3
73.02914	1.2
75.90727	0.9
83.01385	3.7
85.02975	1.7
89.02438	9.7
94.98083	1.2
101.02436	5.6
103.04015	2.2
107.05034	1.7
109.02959	14.6
112.67231	1.0
113.02424	4.4
119.03486	2.0
121.02942	1.8
123.04498	9.9
125.02439	19.3
133.02937	1.8
135.26561	0.9
136.01610	1.0
137.01437	1.4
137.02437	28.8
137.03481	1.0
145.08739	1.4
147.06650	4.2
149.02399	3.7
151.04007	25.3
159.04559	1.5
161.02414	6.5
163.04044	6.2
175.03984	27.1
175.07652	1.2
177.01959	13.7
187.04004	11.3
189.05629	3.1
193.05067	1.5
201.05553	1.6
203.03546	1.1
205.05058	3.5
213.05594	2.1
214.02615	1.2
215.03476	4.7
217.05005	4.3
219.03134	1.0
219.06654	1.2
227.03490	1.1
228.04305	1.9
229.05125	10.0
231.02988	1.1
231.06654	0.9
243.02972	5.4
253.04919	1.2
255.02968	17.1
255.05600	1.0
255.06728	1.2
256.01431	1.3
256.03745	14.2
257.04568	5.0
269.04352	1.2
271.09824	1.2
273.04120	8.3
281.04523	10.4
283.02502	4.1
285.03970	7.0
297.04218	3.2
297.07364	1.3
307.13974	7.6
309.11942	9.3
339.08643	8.4
357.10141	1.1
381.09692	4.9
407.07739	100.0
425.08804	35.6
425.16556	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	425.0881
Annotation	Maggiemycin
Peak:m/z	Relative Intensity
57.03448	1.0
59.01379	9.8
60.04570	0.9
63.16218	0.9
72.58923	0.9
80.05043	1.0
83.01414	1.9
88.47787	1.2
88.76799	1.1
101.14848	1.2
107.05038	2.0
109.02937	12.8
115.79385	1.1
123.04507	8.2
125.02431	19.0
131.05028	1.2
135.04515	1.3
137.02429	14.9
145.08711	4.5
149.02452	2.3
151.04015	29.3
161.02388	2.6
163.03969	4.5
175.04015	24.3
177.01952	13.5
184.88852	1.1
187.04037	11.2
193.05106	4.4
201.05652	1.9
205.05081	4.4
211.03989	1.5
212.86885	1.3
213.05516	1.9
215.03514	4.9
217.05046	2.4
227.03554	1.4
229.05003	8.2
231.02917	1.8
243.02965	4.6
253.05057	4.1
255.02986	19.5
255.06685	1.1
256.03781	16.4
257.04608	6.2
273.04044	7.3
281.04590	8.2
283.02417	5.9
285.03922	4.6
297.07495	2.4
315.08887	1.5
339.08774	10.4
381.09702	6.8
407.07730	100.0
425.08813	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	425.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61230	1.0
53.78579	1.0
56.25814	0.9
59.01378	10.6
63.35062	1.0
71.01373	4.8
73.02944	2.6
83.01369	1.8
84.31130	1.1
85.02928	4.6
101.02419	6.1
102.18980	1.2
108.02172	1.4
113.02460	1.1
124.01640	5.5
125.02457	1.4
129.02049	1.1
137.02438	6.8
138.03204	2.1
139.04002	6.4
148.05287	5.3
151.04012	8.6
153.01852	1.4
159.04512	1.6
160.05357	10.4
161.06003	2.4
163.07707	8.7
172.05272	1.8
173.06013	1.8
175.04057	2.0
177.05585	1.9
178.06299	1.3
204.04305	7.7
205.05183	1.5
207.06612	4.3
217.04895	1.7
219.06615	14.0
231.06627	6.0
263.15109	1.9
297.07626	6.5
311.09238	2.2
312.10095	8.2
327.12372	7.5
371.11325	5.8
389.12436	100.0
425.09256	1.6
425.20273	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	425.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.8
59.01388	43.0
65.63480	2.4
65.77978	2.3
70.85119	2.4
71.01377	32.2
73.02954	21.9
77.64149	2.1
83.01389	11.0
85.02947	32.5
89.02446	3.7
91.24167	2.5
93.24738	3.0
99.00848	4.7
101.02438	47.0
109.02956	15.5
110.05602	2.7
110.13329	2.4
113.02424	16.8
123.04510	12.5
125.02435	22.8
137.02454	38.5
149.02376	3.3
151.04016	22.8
161.02470	9.4
161.04648	4.4
175.04002	30.4
177.01923	13.2
187.03958	12.2
193.05055	3.2
205.05133	3.1
215.03676	5.0
217.05054	3.8
229.05112	9.8
231.06525	2.6
243.02946	4.9
255.02985	17.4
256.03705	20.9
257.04599	3.7
269.04419	4.5
273.03995	6.0
283.02448	4.8
285.04004	4.8
329.47925	2.6
337.12738	5.0
339.09079	6.3
381.12000	100.0
407.07758	92.0
425.11038	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32411	0.4
97.78186	0.4
114.94832	0.4
163.11259	1.8
164.11620	0.7
171.31712	0.4
234.80383	0.4
238.29593	0.4
248.16597	0.9
249.16960	1.9
271.90659	0.4
311.16702	0.5
330.14502	0.6
345.17081	100.0
396.33069	0.4
425.12784	25.6
425.29074	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	425.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.8
71.01382	22.6
75.00869	1.4
83.60388	0.8
85.02924	1.5
89.02451	34.1
97.06554	1.1
99.08157	1.4
101.01803	1.3
101.02447	25.4
113.02443	14.4
115.78004	0.8
119.03500	12.2
125.02461	1.4
125.31942	0.9
127.07654	22.4
131.03384	1.0
135.02989	1.5
145.08719	13.6
151.04022	1.7
175.03998	1.1
187.04015	1.1
238.13153	0.9
307.13989	66.7
354.44034	1.0
355.26776	1.1
407.07697	4.5
425.16672	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	425.1823
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
51.32355	1.4
51.73747	1.5
57.57573	1.5
59.01392	10.3
59.37196	1.7
61.98838	2.0
71.01369	3.9
74.51711	1.8
84.52926	2.1
97.02934	3.4
105.07080	3.4
111.04520	2.9
113.02450	2.4
113.06078	2.4
122.03674	2.3
125.06085	21.5
135.04459	2.1
138.06914	3.2
139.07661	13.6
151.07643	39.1
152.08434	14.1
153.09215	23.8
163.07608	3.8
201.12827	22.5
204.11559	32.9
219.13892	50.0
243.13721	3.6
245.11778	10.7
263.12881	100.0
287.12720	3.0
305.13968	4.9
305.65668	2.2
340.10815	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28061	1.2
51.83540	1.4
53.53103	1.5
57.70775	1.6
59.01390	12.2
65.40806	1.4
92.19431	2.2
108.05027	1.5
113.06063	2.9
115.35108	1.6
137.06033	2.0
139.04015	7.5
139.07668	2.1
141.09201	19.1
165.09117	1.8
167.07115	20.0
179.07129	10.6
181.08690	1.5
185.08247	3.0
189.09212	1.9
207.10321	11.6
229.58963	1.7
230.97766	1.8
285.15103	2.8
303.15845	6.0
315.16113	3.9
329.13882	1.8
336.90683	1.7
345.17078	44.8
365.16068	100.0
425.12680	16.7
425.17932	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	425.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37948	0.7
56.60664	0.5
59.01383	100.0
65.28539	0.6
65.44126	0.6
71.01377	3.0
73.02979	0.6
83.01369	0.9
85.02971	0.7
88.62681	0.7
89.02431	3.2
100.00401	0.9
101.02443	1.5
109.02934	7.2
113.02445	5.6
115.07674	0.8
123.04508	3.9
125.02438	8.0
137.02438	8.5
144.03059	0.8
145.05060	2.7
145.08711	2.9
149.02397	3.2
151.04007	11.2
161.02429	1.1
161.04578	0.7
163.00481	0.8
163.04074	1.3
175.04024	11.0
177.01912	6.2
187.03995	4.9
189.01950	1.1
193.05035	1.1
205.05060	2.6
211.03987	0.8
213.05605	0.8
215.03375	1.0
217.05046	2.3
229.05051	4.3
231.02965	0.9
243.02975	1.6
255.02995	8.1
256.03690	6.7
257.04504	2.5
273.04007	3.8
281.04520	3.6
283.02472	1.0
285.04053	1.6
297.11877	1.3
299.05695	0.9
339.08658	3.4
365.19528	5.1
381.09506	2.4
389.06589	0.9
407.07730	43.0
425.08768	11.0
425.21811	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	425.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33725	1.2
55.07487	1.2
58.01905	1.2
59.01388	100.0
59.01687	3.3
62.45544	1.5
62.66439	1.1
64.84578	1.2
77.16188	1.7
81.00977	1.5
86.78075	1.5
103.57297	1.4
123.04557	2.0
125.02436	6.1
130.50772	1.5
137.02446	2.9
139.37061	2.0
161.02451	1.4
183.21251	1.4
194.92093	1.9
224.35732	1.5
245.04593	2.1
259.02475	1.5
289.07132	2.4
365.19888	11.1
381.05878	2.0
386.51999	1.6
407.07687	3.2
419.35098	1.6
425.04474	2.2
425.09369	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	425.2184
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
52.99792	0.7
56.08983	0.7
56.29979	0.6
59.01384	14.7
88.25688	0.7
96.96973	3.5
136.33810	0.8
200.57281	0.9
235.13458	1.7
249.14763	1.0
269.05133	0.7
277.21786	1.2
301.18066	3.9
301.21756	5.5
303.19745	1.6
317.21350	1.7
319.22809	56.0
321.20721	100.0
327.19763	1.6
337.23920	1.4
345.20731	6.8
363.21747	12.1
381.22839	86.9
425.21936	39.1
430.08643	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	425.2185
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
59.01109	2.9
59.01386	60.2
63.17747	1.9
71.01381	2.9
73.02964	4.2
81.03452	2.3
81.79775	1.9
84.98787	1.9
85.02943	11.2
88.97758	1.7
95.05029	3.2
97.06614	3.4
97.28091	2.0
109.02966	2.7
113.06093	2.3
119.04994	2.8
121.06564	9.0
123.04472	16.2
125.06083	4.1
137.02477	1.8
137.06050	8.3
147.08157	1.8
151.03938	2.9
151.07712	3.0
163.11258	18.0
165.09158	2.5
177.01843	2.6
179.03600	2.1
179.10764	22.8
181.08698	29.0
187.81956	2.0
191.05624	2.5
203.20573	1.9
207.10320	22.9
209.04552	3.5
219.13940	3.1
263.12833	2.2
273.14957	3.1
279.15909	2.4
317.17542	2.7
335.18607	3.6
335.74573	2.2
365.19678	32.1
383.20773	100.0
409.34363	2.5
425.21280	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65952	86.0
70.35443	100.0
91.70745	96.2
92.20052	99.0
105.82744	88.7
116.12823	95.0
158.12352	85.0
316.44199	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1031
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
52.74963	0.6
59.01382	2.8
71.01376	6.9
73.02937	3.1
74.63264	0.5
82.45449	0.6
83.01372	0.9
85.02957	5.9
87.00864	0.8
92.20113	0.9
98.00110	0.7
99.00883	10.5
101.02428	5.7
102.24411	0.6
105.70992	0.6
109.02950	0.5
113.02435	2.9
121.02922	1.3
123.04536	0.9
125.02399	1.3
137.02443	54.2
162.06862	100.0
175.07599	1.0
177.09206	75.8
191.07024	0.7
198.54948	0.7
210.68764	0.6
221.08212	4.3
235.06076	2.8
265.07147	14.9
289.07114	2.9
383.13458	0.9
427.12466	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18639	0.6
59.01364	1.3
71.01383	6.1
73.02951	2.8
73.13074	0.6
82.31012	0.8
85.02966	7.0
99.00889	8.5
101.02437	3.5
108.56055	0.7
109.66382	0.8
113.02428	4.0
121.02936	0.8
132.97786	0.8
137.02475	6.7
162.06863	100.0
175.07631	0.9
177.09209	74.2
194.46906	0.7
198.97440	0.7
221.08229	3.3
235.06160	4.5
265.07156	17.4
427.12466	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.9
69.00491	0.4
73.11705	0.4
87.00870	0.9
119.05023	63.4
125.02433	3.4
133.01364	0.7
137.02621	0.5
145.02962	7.4
146.60362	0.5
150.10260	0.5
153.37018	0.5
163.04015	100.0
265.07190	2.1
325.09293	13.2
339.10791	3.2
367.21405	0.8
427.12512	14.7
427.23358	0.5
438.57132	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	427.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	79.8
60.10046	1.0
61.83717	1.0
64.66156	1.1
65.87206	1.2
71.01387	42.9
73.02953	6.1
78.95911	2.4
83.01378	2.4
85.02949	11.5
85.48006	1.6
86.62885	1.3
87.00851	1.4
88.52405	1.4
89.02439	70.8
89.02991	2.5
95.01370	2.2
96.96952	5.0
96.99984	1.3
99.00849	1.7
101.02444	45.4
101.20882	1.1
103.04005	2.2
113.02455	27.8
119.03489	29.3
131.03520	1.4
135.02994	1.7
143.03593	1.3
147.06662	2.3
161.04552	5.3
179.05643	2.3
221.04602	1.3
265.12909	2.7
309.11929	100.0
313.11530	2.0
337.81577	1.3
409.08011	2.0
427.13571	54.5
427.18729	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	427.1612
Annotation	Rosavin
Peak:m/z	Relative Intensity
50.80480	0.8
50.88841	0.8
53.22656	0.7
57.02421	0.9
57.03455	1.5
59.01385	84.3
69.03448	7.7
71.01381	71.8
73.02947	10.0
75.00880	2.0
81.03457	4.7
82.29784	0.9
83.01387	6.4
85.02958	8.4
87.00840	1.0
89.02443	100.0
97.02950	15.0
99.00882	16.4
99.04528	1.3
101.02451	15.6
107.01395	1.1
109.02912	1.3
113.02443	10.1
115.04008	7.9
118.89890	0.9
119.03503	1.4
121.02905	1.9
125.02451	46.1
126.19741	1.1
127.03993	1.1
131.03534	7.9
133.06593	56.8
137.02422	1.9
143.03499	5.4
147.18153	1.1
149.04553	11.1
161.04533	2.2
173.83455	1.1
177.05431	1.2
191.05603	7.9
215.05571	1.0
233.06674	27.9
293.08807	80.1
367.21359	1.4
427.10678	1.7
427.15524	8.4
447.59290	1.0
448.11542	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	427.1612
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
59.01388	89.9
66.69420	1.2
68.30708	1.2
71.01368	6.7
78.11272	1.3
88.10133	1.3
89.02433	2.6
101.02434	1.8
121.02955	76.2
135.04536	69.2
143.07184	4.9
163.04018	6.8
163.69112	1.4
183.51645	1.5
216.71951	1.6
223.06110	2.1
241.25180	1.4
283.08002	2.0
411.29318	1.6
427.16083	100.0
450.30344	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	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30791	1.5
57.03458	2.6
59.01383	100.0
71.01010	2.1
71.01386	46.7
73.02944	37.9
75.00879	2.7
77.95105	1.8
78.95918	7.0
83.01379	11.6
85.02944	28.1
87.00887	7.2
87.04517	2.0
89.02436	56.2
95.01395	3.0
96.61319	1.6
96.96967	17.3
97.02948	6.2
99.00864	3.8
100.52472	1.6
100.81429	1.7
101.01806	3.1
101.02440	69.6
103.04015	40.9
111.00896	2.0
111.04510	1.9
113.02455	33.5
113.45421	1.4
115.03911	1.8
117.05579	29.3
119.03488	26.4
120.00548	1.7
123.04423	1.9
125.02451	2.0
131.03487	2.5
135.06650	6.5
141.01982	2.1
143.03514	2.1
145.05130	2.0
147.06631	30.4
151.04024	5.8
154.52170	2.3
161.04570	9.2
165.07695	29.9
172.05304	2.8
179.05569	7.2
187.07687	3.9
189.07669	11.0
221.04510	1.7
231.08699	2.0
265.12872	8.0
297.11926	35.2
309.11932	80.4
311.07819	1.7
327.12933	24.0
367.19913	2.1
369.14008	38.7
427.08646	3.1
427.14111	4.8
427.18570	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.8
59.01379	50.2
66.55286	5.7
71.01383	29.4
83.01385	9.7
86.66766	4.9
89.02441	11.6
101.02441	24.3
107.37768	5.7
111.00905	9.4
111.14421	5.1
114.08110	5.8
116.15680	6.0
119.03488	7.7
126.76623	6.3
167.03412	6.2
189.12848	9.9
201.12743	7.2
219.13899	100.0
290.76773	5.5
383.24426	9.5
427.19186	66.0
427.24200	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	427.1974
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
59.01391	52.8
59.11240	3.5
70.44665	3.7
71.01389	18.4
75.73456	3.4
75.73896	3.6
83.64532	3.4
83.78242	3.4
85.02943	14.9
89.02420	9.2
89.06540	3.7
89.13229	3.5
101.02445	7.6
107.77923	3.6
111.00871	5.6
119.03458	5.5
123.04497	4.3
125.02431	17.0
126.78318	3.5
137.02422	7.2
155.65036	4.0
161.04633	3.9
161.25139	3.7
167.03528	4.1
189.12854	24.2
192.87401	4.1
201.12856	15.7
209.04588	4.9
219.13885	100.0
221.11864	5.7
221.15506	5.0
241.07983	4.0
260.39307	4.1
264.73083	3.6
265.14700	4.3
307.11771	4.5
377.96005	4.1
383.24390	14.8
427.14749	4.9
427.18900	41.7
427.23746	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	427.1981
Annotation	Lactuside B
Peak:m/z	Relative Intensity
52.49336	1.0
57.97397	1.0
59.01100	1.7
59.01387	29.8
66.53500	1.0
67.45598	1.0
70.19318	1.0
71.01382	19.0
73.02953	1.7
76.52400	1.0
83.01409	1.4
85.02953	5.7
87.00852	1.2
89.02444	21.4
95.01361	1.0
95.73637	1.1
97.42651	1.1
99.00787	1.3
101.02444	16.1
111.00891	4.5
111.04529	4.4
113.02457	12.1
115.73637	1.2
119.03493	4.8
137.09756	1.6
167.07135	1.6
181.63106	1.2
185.13486	1.4
203.14413	11.3
217.04942	1.3
261.57663	1.3
261.60803	1.3
308.03683	1.2
427.19766	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	427.1976
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
57.03448	5.8
59.01379	50.2
66.55286	5.7
71.01383	29.4
83.01385	9.7
86.66766	4.9
89.02441	11.6
101.02441	24.3
107.37768	5.7
111.00905	9.4
111.14421	5.1
114.08110	5.8
116.15680	6.0
119.03488	7.7
126.76623	6.3
167.03412	6.2
189.12848	9.9
201.12743	7.2
219.13899	100.0
290.76773	5.5
383.24426	9.5
427.19186	66.0
427.24200	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29178	0.9
59.01382	100.0
65.91461	1.0
67.90565	0.9
71.01376	21.9
71.93711	1.0
74.70757	1.1
80.82980	0.9
81.82848	1.1
85.02940	5.5
89.02443	40.2
95.10404	1.1
97.39318	1.0
101.02438	16.4
113.02450	13.8
119.03493	16.7
125.02408	1.4
143.03481	3.8
147.28630	1.1
155.44600	1.0
157.25523	1.2
161.04559	4.8
167.03441	1.1
169.22874	1.1
179.05608	27.7
179.07002	1.0
187.11266	24.6
213.05569	1.5
217.51131	1.0
297.60504	0.9
333.46487	1.0
427.10999	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	427.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
57.84787	1.4
81.03453	9.1
96.63232	1.4
123.04489	9.6
125.02438	10.8
135.04573	2.1
149.12239	1.5
151.07742	1.5
152.01067	1.8
167.03473	2.9
179.03494	6.6
194.17351	1.7
236.51614	1.4
269.98154	1.4
275.81723	1.4
353.24734	2.5
427.24911	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	427.249
Annotation	Graviphane
Peak:m/z	Relative Intensity
52.20958	0.3
53.10936	0.3
57.03452	3.9
61.82424	0.4
64.04134	0.3
65.50652	0.3
67.24948	0.4
74.81847	0.4
81.03438	0.6
83.01389	7.2
91.69160	0.4
101.39893	0.4
105.89758	0.4
107.99921	0.4
121.02950	0.4
123.04520	0.8
125.02438	100.0
149.02463	1.8
151.00391	0.7
167.03484	2.1
215.38136	0.4
249.01057	0.4
253.21684	0.6
301.21774	3.1
377.89899	0.4
415.54413	0.4
427.19000	0.8
427.24887	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32508	1.5
52.68342	1.7
59.01386	100.0
65.85124	1.6
70.29743	1.4
74.64191	1.7
85.80064	1.7
97.66373	1.7
113.07945	1.7
113.09550	1.8
135.36357	1.6
153.93951	1.6
233.79482	1.8
293.21146	3.6
316.12219	1.8
381.05930	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
72.51152	0.8
86.93520	0.7
90.21355	0.8
91.04008	3.4
96.69204	0.7
100.20589	0.9
102.78847	0.9
103.82079	0.7
110.36063	0.7
273.10669	0.9
275.20224	1.0
293.21225	18.3
427.30441	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.98420	0.9
71.38695	0.7
91.04006	4.8
242.49034	1.0
256.98596	1.0
293.21188	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61750	1.0
59.01384	100.0
72.70667	1.0
77.10878	1.1
83.28773	1.1
106.76967	1.1
244.05644	1.2
293.21185	9.6
311.97733	1.6
344.60986	1.3
353.68042	1.1
367.24854	1.9
379.29086	1.3
427.24890	1.4
448.69080	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	427.3066
Annotation	oscr#31
Peak:m/z	Relative Intensity
53.81912	0.8
55.60803	0.9
57.03450	7.8
57.27694	0.7
59.01385	1.7
70.56955	0.9
80.67858	0.9
81.74983	0.9
99.04518	27.2
125.02438	6.9
128.88290	0.8
174.62640	1.1
210.90240	0.9
225.22321	1.9
265.58121	0.9
267.23303	35.6
280.95505	1.1
283.26419	16.2
383.31714	9.4
427.30664	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	427.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35927	0.9
75.00874	100.0
88.99975	1.1
104.05795	1.1
117.16062	1.2
123.52823	1.2
136.12090	1.1
160.80367	1.2
162.33144	1.2
164.87073	1.2
244.51224	1.1
281.20398	1.3
307.30090	57.5
351.29071	21.0
355.32251	21.7
369.25314	1.7
369.30096	53.3
427.30649	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.1
60.99304	12.7
64.66251	1.0
71.01369	1.4
71.12362	1.2
88.05849	1.1
88.98803	100.0
117.03454	1.6
119.05002	1.3
123.04520	2.0
145.02960	13.0
151.04086	1.5
151.07655	1.8
179.07135	26.7
195.06560	2.4
223.06104	2.8
248.14784	1.2
337.14215	1.3
339.10886	7.0
385.11316	6.3
429.09238	2.5
429.14319	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	429.1193
Annotation	alvaradoin F
Peak:m/z	Relative Intensity
56.37240	0.9
59.01388	100.0
59.55697	1.2
96.93920	1.0
97.02778	1.1
125.25024	1.1
132.51187	1.3
180.13161	1.3
210.12320	1.4
258.43698	1.1
263.24319	1.2
357.84146	1.1
399.06955	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	429.1403
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
54.24789	1.9
58.82963	1.6
59.01381	100.0
60.86111	1.8
69.42368	1.9
71.01379	43.8
72.99320	2.4
83.01395	2.9
85.02943	12.1
87.00856	4.7
87.09515	2.2
89.02442	62.8
101.02441	26.0
113.02427	18.3
119.03495	19.4
125.02467	4.3
146.03763	14.2
161.04716	3.3
161.06059	7.7
164.04836	13.7
177.01852	1.9
179.05688	5.7
179.07121	46.6
199.35022	2.2
249.07855	19.6
381.87042	2.3
385.14221	2.5
407.42258	2.1
429.14200	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	429.1403
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
52.02938	1.1
53.03806	1.1
53.99664	1.1
59.01386	100.0
61.95448	1.2
71.01382	36.6
71.62212	1.4
73.02943	3.2
83.01385	3.0
85.02961	6.5
87.00853	3.2
89.02444	50.1
95.01371	2.2
101.02444	22.3
113.02439	19.9
119.03494	21.8
127.03982	1.7
143.03436	1.7
146.03712	8.3
150.03229	1.9
161.04665	2.3
161.06068	7.7
164.04785	9.6
179.05714	4.0
179.07137	39.1
194.02275	3.1
209.04543	11.0
237.30074	1.3
249.08057	13.8
267.05103	6.1
323.55466	1.6
429.14215	35.0
450.86285	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80018	0.8
53.14199	0.8
54.51653	0.9
55.30967	0.7
57.03454	4.6
59.01385	100.0
59.22692	0.7
59.36546	0.7
60.44525	0.7
69.03429	1.0
69.64754	0.8
71.01376	18.5
71.05032	0.8
73.02944	2.2
83.01382	1.5
85.02937	7.6
87.00870	6.1
89.02431	19.3
95.01350	1.2
97.02979	0.9
97.06577	1.5
99.04524	1.3
101.02441	15.5
107.05048	1.5
113.02436	9.7
119.03483	5.4
120.05781	0.9
123.04497	1.1
145.02965	5.7
159.11771	0.9
161.04512	1.4
161.09750	9.9
161.13361	4.1
167.03546	1.6
179.05640	1.1
187.11287	11.9
189.09178	2.1
202.98897	1.0
203.10771	0.9
205.12267	1.2
207.10393	3.2
223.13397	25.3
249.11331	2.1
267.12390	62.7
298.48270	1.0
309.13226	1.4
311.73053	0.9
357.63226	0.9
429.17163	23.7
429.21341	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54516	0.3
59.01383	4.1
68.04598	0.3
71.01366	0.5
73.02947	0.5
89.02431	0.6
91.01142	0.4
92.12238	0.4
92.19434	0.7
99.00867	2.4
109.02918	0.5
110.68429	0.4
117.01974	0.7
117.05582	1.0
119.43919	0.4
122.03715	2.9
123.00895	0.7
123.04467	0.6
126.54814	0.4
127.53362	0.5
135.04506	1.0
137.02467	1.0
137.06012	0.4
138.03261	0.8
139.03035	0.5
153.01936	0.7
165.05513	0.9
167.07133	100.0
200.51624	0.4
209.04582	0.6
249.07796	0.4
267.08804	2.2
311.11383	2.8
329.12436	3.4
371.13501	3.1
429.09042	0.5
429.13959	2.2
429.18155	0.7
437.87656	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	429.2132
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01889	5.0
57.03444	2.5
59.01383	44.6
61.84456	2.1
68.75560	2.1
71.01379	98.5
73.02944	40.0
83.01383	23.1
84.59590	2.4
85.02952	55.6
89.02458	4.5
95.01395	10.1
95.40769	2.6
99.00882	10.6
101.02448	79.2
110.24956	2.4
113.02447	42.6
159.02876	8.4
161.04565	37.3
172.31633	2.3
179.77505	2.7
266.90848	2.3
271.98834	2.3
385.22339	35.5
424.76846	3.0
429.15637	3.2
429.21320	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49421	0.7
52.06110	0.6
53.60637	0.7
59.01382	100.0
71.01387	11.1
89.02436	25.2
89.87794	0.7
95.58698	0.8
101.02425	8.6
105.59157	0.8
113.02446	1.9
119.03507	7.5
143.03506	1.7
149.02591	0.9
161.04594	1.1
179.05637	7.5
182.35698	0.8
184.83212	0.8
429.21237	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13470	0.8
57.37614	0.8
59.01388	100.0
71.01389	14.3
85.02956	2.4
89.02447	32.3
101.02431	8.6
102.83786	0.9
113.02464	8.9
115.91569	1.0
119.03501	8.5
123.04495	1.4
131.07124	2.1
143.03407	1.3
153.05577	4.3
161.04527	2.3
179.05644	10.4
229.71254	0.9
429.21588	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97028	0.8
59.01384	100.0
59.27272	0.7
71.01385	10.0
85.02924	2.1
89.02437	16.8
95.56967	0.9
101.02443	7.1
107.71996	0.7
113.02464	6.6
119.03498	7.1
126.36358	0.8
137.09755	2.0
143.03468	1.0
161.04622	1.4
167.03517	7.3
176.03072	0.9
179.05595	10.1
190.02608	0.8
206.18532	0.9
262.93851	1.0
277.46967	0.9
356.03796	0.9
429.21317	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	429.2133
Annotation	Alatoside B
Peak:m/z	Relative Intensity
54.84963	1.3
59.01384	9.3
71.01383	10.0
77.81570	1.3
89.02444	15.5
101.02462	2.4
112.44804	1.7
113.02420	1.8
113.98881	1.4
129.61868	1.4
147.11832	3.1
149.13351	2.4
152.63510	1.6
155.90366	1.5
166.02100	1.5
176.82806	1.4
179.05632	8.5
181.92883	1.7
205.15991	74.8
220.30264	1.7
221.15495	9.3
224.23633	1.5
238.39653	1.4
249.14966	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	429.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73835	8.4
59.01376	100.0
59.13705	9.7
60.39394	9.2
63.11468	9.2
64.44870	11.6
77.50678	10.6
109.94078	10.2
119.45281	10.0
144.59665	10.4
204.78398	12.2
399.62167	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	429.2648
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03440	2.3
58.59422	0.9
59.01383	2.1
74.11556	0.9
77.51003	0.9
83.01389	5.2
125.02435	100.0
151.00433	1.3
167.03540	1.4
238.30994	1.0
268.53796	1.0
303.23175	4.7
324.23349	1.0
339.98093	0.9
429.26324	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32319	1.1
59.01392	1.4
63.10981	1.3
65.58955	1.2
70.14449	1.3
79.29136	1.3
81.03445	5.4
88.06791	1.6
92.61653	1.4
100.50677	1.4
123.04527	10.3
125.02404	9.0
135.04518	3.0
151.00377	1.9
167.03520	2.2
192.46359	1.3
275.06436	1.4
297.79156	1.5
347.87936	1.4
385.27432	3.5
429.26361	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	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.72483	1.4
77.73988	1.2
111.12115	1.1
190.65872	1.2
277.21716	1.6
295.22653	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15186	0.7
59.01384	100.0
71.02737	0.7
91.03981	2.8
195.13902	3.8
196.05034	0.7
214.26231	0.8
277.21744	1.1
295.22736	20.2
308.96255	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	429.3223
Annotation	oscr#32
Peak:m/z	Relative Intensity
59.27403	1.4
59.86167	1.7
69.58039	1.6
75.27939	1.9
105.58435	1.7
293.28522	100.0
293.31793	3.6
337.27505	40.3
355.28528	48.1
371.31903	1.7
390.23795	2.2
410.07190	1.7
429.32285	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45461	0.2
55.57477	0.3
69.99440	0.2
71.01398	0.4
71.61579	0.2
72.00910	7.4
91.05524	0.6
106.79411	0.2
108.87979	0.3
111.89239	0.3
120.01233	2.2
128.51187	0.2
134.03778	0.4
147.04521	32.3
149.06104	0.6
164.07178	100.0
193.05077	0.7
207.94272	0.3
314.06912	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03732	0.3
56.41413	0.3
61.22579	0.3
109.37215	0.3
117.03429	0.4
138.25517	0.4
149.02374	1.3
151.00475	0.5
166.67404	0.3
211.32762	0.4
234.28055	0.4
240.04448	0.5
268.03787	100.0
269.04544	23.2
283.06009	0.4
290.54694	0.4
311.05630	0.7
344.88577	0.4
431.09869	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11826	0.6
52.30246	0.6
59.01383	22.2
66.53868	0.7
71.01381	10.6
73.02944	1.6
75.00872	0.8
83.01418	0.7
85.02939	3.7
87.00877	1.2
89.02441	13.5
92.19495	1.1
92.84288	0.7
93.03415	0.7
101.02446	6.4
113.02453	5.5
114.45171	0.6
119.03490	5.0
121.02964	8.7
135.04492	1.4
147.04468	1.4
151.00372	3.5
161.04572	1.5
179.05565	1.3
181.05052	0.9
225.05582	3.4
235.08133	0.9
268.03717	6.7
269.04556	100.0
283.06238	1.4
309.09988	0.7
311.05585	2.9
383.21255	0.7
413.22009	5.7
431.09818	59.9
431.22958	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	431.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11623	0.5
53.66539	0.6
59.01378	1.4
60.99313	12.3
64.92431	0.6
71.01350	1.0
75.00867	1.6
88.98803	100.0
89.02439	24.9
91.57752	0.6
117.01981	0.8
130.77843	0.7
138.52463	0.7
139.05319	0.6
153.57874	0.7
158.13136	0.7
168.06339	0.7
191.05608	11.5
226.78938	0.6
305.17505	0.7
333.61685	0.7
341.10739	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	431.1137
Annotation	Torin 2
Peak:m/z	Relative Intensity
56.07384	0.7
58.35865	0.7
59.01379	0.9
73.12478	0.8
77.34544	0.9
78.68990	0.9
93.64063	1.1
113.59856	0.9
125.02425	1.1
131.11897	1.0
139.42989	0.9
223.04024	3.4
240.04279	37.2
255.06625	35.0
267.02979	35.6
279.06699	1.7
281.04489	1.8
342.05374	5.9
356.06857	1.5
369.04193	1.8
374.04343	1.3
383.05719	5.7
384.06436	27.1
385.07187	8.1
395.24301	7.3
399.08752	33.8
416.05249	1.8
431.11383	100.0
450.59732	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	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	3.0
59.01387	68.3
62.05027	1.4
71.01386	26.2
75.91859	1.3
82.22026	1.6
83.01408	1.7
85.02944	5.9
87.00871	3.7
89.02445	41.4
95.01357	1.6
101.02453	19.5
113.02453	10.9
119.03470	13.5
123.04516	100.0
133.01443	2.0
147.04539	6.6
147.68059	1.7
151.04019	2.4
165.05569	28.0
166.06357	2.2
175.03973	16.6
179.05540	2.3
181.08704	9.4
192.07944	58.7
193.05087	3.7
195.03026	8.9
207.06577	6.7
207.10278	30.7
219.02971	20.6
221.93263	1.6
251.05556	7.1
251.09230	41.3
269.06805	1.8
343.15952	1.7
357.08313	17.1
381.97363	1.8
399.55728	1.8
431.11356	52.4
431.16525	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	431.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11970	0.7
59.01385	4.1
63.05247	0.8
73.06474	0.7
87.00875	6.0
89.02428	0.7
96.33948	0.7
101.02472	0.7
113.02460	0.8
118.84402	0.8
121.02961	14.6
135.04517	4.1
149.02446	38.1
150.03224	100.0
164.04791	14.8
165.05568	96.0
169.60562	0.7
216.86711	0.7
222.57945	0.7
261.21854	0.8
268.03775	5.3
269.04645	1.1
327.55756	0.8
431.09976	3.4
431.22543	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	431.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75055	0.4
56.32544	0.3
58.19679	0.3
59.01391	2.8
71.01372	0.3
73.25179	0.4
87.00874	5.3
121.02951	14.1
135.04604	0.5
136.97510	0.5
149.02448	39.9
149.86418	0.4
150.03224	100.0
161.42290	0.4
163.03995	0.7
164.04797	13.4
165.05569	95.8
193.03044	0.4
207.06680	0.6
266.85330	0.5
269.08224	3.4
301.35315	0.4
376.96002	0.4
395.07724	0.5
431.14050	0.6
431.23169	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	431.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88687	0.4
53.54394	0.4
58.19558	0.5
59.01378	7.1
60.99282	0.6
71.01394	4.2
73.02238	0.6
75.00861	2.9
79.93922	0.5
81.67159	0.6
84.96938	0.5
87.00854	1.1
88.98788	8.8
89.02441	100.0
89.59745	0.5
101.02429	3.0
113.02415	3.0
117.01874	0.7
119.03466	3.4
133.01459	0.6
141.49840	0.6
159.51686	0.5
161.04578	1.0
179.05600	2.1
182.30855	0.5
191.05640	11.5
197.35553	0.5
341.10889	25.9
372.68500	0.8
431.13995	3.8
449.75372	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	92.9
67.67818	1.7
68.19688	1.6
71.01381	37.8
73.02955	1.9
74.70823	2.1
77.38776	2.1
85.02956	7.5
87.00877	3.1
89.02438	62.8
89.74117	2.2
95.01390	2.4
95.45181	1.8
101.02426	28.4
113.02427	21.7
116.10738	2.1
119.03507	19.5
123.04514	100.0
147.04514	7.8
149.04544	2.7
150.97250	1.9
165.05521	20.9
166.06355	4.7
175.04008	15.5
179.05569	2.6
181.08727	24.0
192.07915	71.0
193.05032	3.8
195.03015	12.8
207.06604	3.6
207.10265	28.7
219.02930	21.1
236.68430	2.1
251.05518	3.3
251.09254	55.2
269.06723	2.0
357.08237	23.1
381.08371	2.5
384.06494	2.2
431.11105	61.5
431.16458	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
57.25182	1.1
59.01384	100.0
64.31924	1.0
71.01379	39.2
74.84515	1.1
83.01377	1.3
85.02946	7.6
86.59808	1.2
87.00863	1.8
89.02441	58.0
92.79118	1.1
95.01369	2.7
101.02442	28.5
113.02433	15.1
114.42251	1.2
115.00361	2.0
118.09581	1.1
119.03481	21.0
123.04535	10.0
133.01419	5.1
143.03503	2.2
153.05508	1.4
166.06297	9.5
175.04010	1.6
179.05627	6.7
181.08717	30.9
192.07895	9.4
197.68539	1.3
207.10231	7.1
209.08247	4.1
249.06128	1.7
251.09248	34.6
269.10281	7.1
324.88992	1.6
431.15720	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
52.50644	2.3
56.81771	2.4
59.01385	90.2
61.17271	2.1
68.88882	1.9
69.76579	2.1
70.90601	2.1
71.01385	42.9
71.26533	2.1
81.97685	2.4
85.02970	3.1
89.02444	59.4
90.13313	2.0
95.01368	2.3
101.02456	21.5
113.02444	18.0
119.03491	22.2
149.04558	2.4
161.04568	2.7
166.06316	4.5
179.05692	3.8
181.08734	18.4
192.07932	100.0
207.10297	47.2
251.09254	75.6
257.51224	2.4
273.29752	2.3
283.77643	2.6
376.78595	2.2
431.15533	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29274	1.3
53.28079	1.1
58.02984	3.4
59.01381	9.3
66.14055	1.3
70.23882	1.4
71.01378	6.1
73.02912	1.9
74.02465	17.6
74.13427	1.3
83.01422	1.6
85.02973	1.8
86.02499	6.9
87.05650	1.9
89.02422	3.0
99.05636	12.7
101.02412	3.1
113.02476	2.0
128.03537	49.9
141.06750	2.5
143.04626	88.9
146.04587	3.6
153.06725	7.8
160.00740	18.3
166.09856	2.3
167.04605	6.7
170.03323	1.9
177.03362	7.9
179.04625	16.0
187.58885	1.5
199.47090	1.5
210.08800	17.8
212.25165	1.4
220.36481	1.5
242.07961	2.1
254.07751	10.0
257.55438	1.7
269.10370	3.2
272.08862	11.8
288.06674	3.3
295.31799	1.7
304.69766	1.9
306.07678	100.0
318.18036	1.4
404.14963	33.3
431.15671	9.6
433.27173	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	431.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29274	1.3
53.28079	1.1
58.02984	3.4
59.01381	9.3
66.14055	1.3
70.23882	1.4
71.01378	6.1
73.02912	1.9
74.02465	17.6
74.13427	1.3
83.01422	1.6
85.02973	1.8
86.02499	6.9
87.05650	1.9
89.02422	3.0
99.05636	12.7
101.02412	3.1
113.02476	2.0
128.03537	49.9
141.06750	2.5
143.04626	88.9
146.04587	3.6
153.06725	7.8
160.00740	18.3
166.09856	2.3
167.04605	6.7
170.03323	1.9
177.03362	7.9
179.04625	16.0
187.58885	1.5
199.47090	1.5
210.08800	17.8
212.25165	1.4
220.36481	1.5
242.07961	2.1
254.07751	10.0
257.55438	1.7
269.10370	3.2
272.08862	11.8
288.06674	3.3
295.31799	1.7
304.69766	1.9
306.07678	100.0
318.18036	1.4
404.14963	33.3
431.15671	9.6
433.27173	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	431.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30252	1.2
56.34159	1.2
58.02979	2.2
59.01383	7.4
64.85145	1.2
69.01652	1.3
71.01354	2.3
74.02474	14.1
86.02474	6.7
90.00188	1.3
92.19411	1.5
99.05637	11.3
101.02488	2.1
101.07188	1.3
103.04042	2.9
113.02370	1.5
124.01555	1.3
127.05140	1.6
128.03540	45.0
139.04015	11.6
141.06685	3.2
143.04623	72.2
145.06175	2.5
146.04565	6.1
153.06680	8.4
160.00726	15.8
161.04530	1.7
166.09853	2.8
167.04622	3.0
167.08260	1.9
172.48459	1.5
177.03380	5.8
179.04581	14.5
197.05652	4.7
210.08835	14.9
213.97888	1.5
254.07843	9.7
261.84207	1.3
272.08789	11.3
284.87943	1.5
288.06522	2.7
306.07678	100.0
373.17889	1.3
404.14996	32.2
431.19205	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	431.2288
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
56.38415	0.8
59.01385	77.1
63.72073	0.7
71.01385	11.8
73.02933	4.9
82.94665	0.8
83.01392	1.0
85.02952	4.1
89.02430	8.5
89.63235	0.9
92.19382	1.5
99.00821	0.9
99.13067	0.8
101.02451	10.6
109.86925	1.0
113.02442	5.6
115.20329	0.8
119.03474	1.7
128.56160	0.8
153.32127	1.0
166.07480	1.0
174.10506	1.0
187.11198	0.9
189.12886	10.5
214.16539	1.0
233.11839	14.0
294.01572	0.9
340.07733	0.9
368.23730	0.9
431.22888	100.0
453.56992	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	431.2439
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.29874	1.1
51.76923	1.0
55.26126	1.1
57.03453	1.4
59.01384	16.1
62.82928	1.2
66.68079	1.0
69.72642	1.0
71.64574	1.2
73.97834	1.1
79.25415	1.1
80.13949	1.1
80.37361	1.1
81.27258	1.2
83.05018	2.2
85.02929	1.2
97.06564	2.8
99.04531	8.9
109.06588	4.0
113.02463	1.4
123.04475	2.2
123.08170	1.4
125.06075	2.4
138.06839	5.3
139.07639	1.2
151.07603	2.5
153.09187	13.5
161.09723	6.4
163.11282	11.0
165.09215	5.1
165.12880	11.0
178.09981	2.9
179.10840	13.3
187.11433	1.2
189.09151	1.5
203.10675	2.5
203.61829	1.4
205.12263	9.3
206.09467	16.3
207.10242	2.8
209.11827	51.4
221.11853	37.9
263.09271	1.4
268.03961	3.4
273.11346	8.8
283.09601	1.5
290.42468	1.3
308.35980	1.2
308.64615	1.5
345.09808	5.8
371.13834	1.5
417.30890	1.3
422.67252	1.4
431.24387	100.0
440.03033	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	431.2442
Annotation	Espinosanolide 2-methylbutyrate
Peak:m/z	Relative Intensity
51.22738	0.8
52.89174	0.9
55.01879	1.4
57.00113	1.0
59.01388	1.0
73.02935	7.4
98.71219	1.1
113.17627	0.9
113.37756	1.2
116.60547	0.9
141.09241	3.9
151.56213	0.9
167.07158	4.5
171.05762	1.1
189.16531	1.6
241.19582	2.0
251.74178	1.2
299.27600	7.2
325.25363	7.7
343.22330	1.9
343.26425	36.8
378.60242	1.1
385.85754	1.1
387.25452	21.9
413.23196	2.5
431.24374	100.0
459.49945	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	431.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58941	0.9
59.01364	5.1
64.30408	1.0
69.80278	1.1
78.95908	33.8
85.02152	1.1
92.20074	2.4
96.96968	2.5
101.27538	1.0
116.92854	9.8
123.10092	1.1
125.02470	1.4
149.82881	1.1
152.99588	100.0
203.64450	1.3
254.18616	1.2
254.62097	1.3
305.51523	1.1
431.21811	18.9
454.61276	1.0
454.69763	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	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02381	0.6
55.76974	0.6
59.01385	100.0
64.60508	0.6
68.37388	0.5
71.01379	5.2
73.02934	2.8
83.01370	1.3
85.02943	2.6
101.02431	6.2
106.46144	0.7
113.02454	2.8
208.88158	0.6
353.53110	0.7
371.19171	1.2
371.24469	4.6
389.25394	6.4
431.21442	1.7
431.26343	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	431.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72487	3.1
51.06498	2.9
51.19514	2.7
73.41717	3.9
93.48207	3.2
94.39666	3.0
125.02423	7.3
149.06078	100.0
183.30006	3.2
256.36536	3.3
333.20102	3.4
416.33072	8.0
431.35461	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3531
Annotation	Ergosta-7-ene-3beta,5alpha,6beta-triol
Peak:m/z	Relative Intensity
51.24171	0.5
60.10056	0.5
61.32085	0.4
64.53516	0.5
77.87352	0.6
78.26088	0.5
84.29367	0.5
86.90757	0.5
89.09829	0.5
115.85804	0.5
121.06600	3.4
136.05356	0.7
144.77460	0.5
149.06073	100.0
154.67979	0.5
162.06888	1.3
276.99512	0.6
416.32968	23.5
431.35339	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89599	0.2
52.41843	0.2
57.03440	0.3
59.01393	2.9
61.98826	0.4
64.02731	0.3
71.01376	0.5
87.00877	1.3
89.02438	1.7
93.31911	0.3
108.02183	4.3
109.02946	0.4
113.02426	0.3
122.02457	0.5
123.04549	0.5
125.02428	2.3
131.07120	2.8
133.05043	0.5
135.04526	1.3
135.22371	0.3
138.01970	100.0
138.05591	7.0
146.97862	0.4
150.03229	1.2
151.04054	0.4
153.05608	1.7
154.05867	1.3
165.05539	2.0
210.08455	0.4
273.46066	0.3
292.94449	0.3
301.07425	0.4
343.14133	1.5
344.14334	0.5
432.15323	1.5
446.64655	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	432.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19325	0.3
59.01387	2.1
61.79583	0.3
64.68619	0.3
71.01376	3.0
73.48136	0.4
85.02965	0.6
89.02429	2.9
101.02409	0.5
113.02489	0.6
117.03455	0.5
123.03270	3.6
125.02409	1.8
138.02005	1.7
138.05612	100.0
149.04549	1.5
180.06616	2.0
180.37242	0.4
293.08737	3.1
300.10992	1.8
321.79453	0.4
324.96225	0.4
344.18204	0.4
426.46118	0.4
432.15137	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74179	0.4
54.26346	0.4
57.99775	0.4
59.01384	14.5
59.05833	0.4
59.49358	0.4
60.01714	0.9
61.01792	0.8
61.98836	100.0
69.61337	0.4
70.90686	0.4
71.01406	1.1
74.12217	0.5
89.02441	0.9
92.20094	1.1
101.02467	1.9
102.88348	0.6
110.16193	0.5
112.97145	0.5
113.02484	0.6
127.02437	0.5
138.19685	0.5
208.78197	0.5
240.04199	0.7
241.04756	0.6
248.07774	0.5
268.03778	34.0
269.04184	98.3
270.04883	46.3
270.09158	0.7
270.78043	0.6
283.05911	0.6
284.06424	0.6
312.06091	0.8
379.13431	0.5
432.10190	63.6
432.22702	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
60.01710	0.4
61.98836	45.6
71.01366	0.3
83.41588	0.2
89.02429	0.6
101.02439	0.3
102.33037	0.3
149.02417	1.0
151.00340	0.5
165.38589	0.2
240.03862	0.2
268.03781	36.5
269.04141	100.0
270.04892	21.7
270.12094	0.5
282.05008	0.3
284.06351	0.6
312.06039	1.1
396.19632	0.3
432.10190	87.6
433.87057	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	433.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28488	0.4
61.30951	0.4
66.60197	0.5
67.51830	0.5
77.66180	0.5
78.95903	28.7
92.22683	0.6
93.03450	2.8
96.96956	100.0
97.97208	0.6
109.69848	0.6
111.04520	2.3
135.18018	0.6
137.02448	3.1
144.41039	0.5
155.03523	2.7
155.88908	0.5
191.05620	2.3
191.14449	0.7
209.85332	0.5
220.05028	0.6
239.63960	0.7
240.96600	0.6
272.90277	0.6
335.09967	7.3
433.07605	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	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50600	0.8
59.01379	7.5
60.00819	0.9
67.16261	0.9
67.91576	0.9
71.01382	4.7
73.02917	1.3
75.00860	1.2
85.02950	1.7
86.53139	1.2
89.02436	5.7
92.20033	1.3
93.03456	5.5
95.01379	1.0
97.02943	1.7
99.00865	1.8
99.78355	0.9
101.02482	1.4
105.01939	23.6
109.02274	1.0
109.02910	7.8
109.05970	1.0
117.03430	1.3
121.02935	6.1
123.04495	6.6
125.02413	2.0
126.68301	1.1
133.02959	4.3
135.00941	1.4
137.02449	20.0
139.03996	9.7
145.03114	1.0
149.02475	14.2
151.00348	2.2
151.04028	8.2
161.02435	38.8
163.00372	27.9
163.04056	1.4
164.01149	4.5
165.01923	73.5
174.03259	1.1
175.04001	4.1
176.01147	16.5
177.01930	98.1
179.03464	5.0
184.64122	1.2
190.02687	8.3
198.91125	1.1
202.99892	7.4
204.00645	6.9
205.01447	17.1
206.02266	1.2
207.02966	1.9
218.02174	9.0
219.02948	2.2
265.05090	1.5
271.05917	1.1
281.04535	1.5
283.06033	4.5
289.07260	2.0
309.04044	8.8
327.05112	100.0
329.06668	1.2
343.04770	1.2
371.07529	1.3
373.05643	5.2
415.06763	12.1
433.08069	5.5
433.13492	12.0
433.19958	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	433.0776
Annotation	6-Hydroxyluteolin 7-xyloside
Peak:m/z	Relative Intensity
58.68599	0.7
59.01387	12.9
69.83080	0.8
71.01356	4.8
73.02957	1.1
85.02911	1.9
89.02448	8.0
92.20144	1.8
93.75186	0.9
101.02399	4.3
109.02891	1.4
113.02443	2.1
114.45208	0.8
119.03458	1.2
151.00392	10.4
163.00294	1.5
165.01910	25.5
166.06282	2.0
178.99748	5.2
181.08586	1.1
193.01270	1.0
211.04008	1.4
227.03487	1.2
243.02837	4.2
254.01918	1.8
255.03027	14.2
271.02304	35.1
271.05862	11.3
283.02359	1.3
300.02774	100.0
301.03561	32.7
387.20209	1.5
433.07391	58.7
433.19778	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	433.093
Annotation	Isoknipholone
Peak:m/z	Relative Intensity
52.05439	0.6
54.58626	0.6
74.78971	0.6
80.90948	0.8
83.46485	0.7
139.81447	0.7
147.04532	4.8
148.28809	0.8
171.04539	7.6
172.01660	1.6
174.03265	1.2
183.49446	0.8
198.03226	22.8
199.04152	0.8
201.02077	0.8
213.01950	3.4
213.05591	3.7
214.02647	1.3
225.02002	7.7
242.02298	8.9
257.04572	41.1
269.00949	3.2
331.06009	0.9
341.04620	1.1
342.05371	33.1
343.06186	14.0
345.03952	1.2
346.04602	1.4
357.03702	1.2
357.07669	15.3
374.04007	10.0
374.08438	7.5
389.10391	6.0
401.06787	13.2
433.09335	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08494	0.6
54.23667	0.6
55.11859	0.7
59.01384	7.5
71.01382	3.9
73.02966	1.5
81.03483	2.6
85.02953	1.4
89.02435	1.5
93.03446	2.8
97.02978	2.4
101.02429	1.7
107.01399	1.5
113.02417	0.8
115.04012	2.9
119.05015	26.1
121.02948	4.0
123.04535	0.9
125.02438	15.1
137.02425	1.7
143.05016	3.2
145.02965	4.4
149.02402	6.5
151.00366	14.8
155.03476	1.6
155.65753	0.7
163.00337	5.4
163.03973	1.0
164.01132	0.9
165.01913	14.8
167.03465	4.8
177.01944	1.7
185.06117	1.1
187.03947	1.0
191.03543	1.4
193.01425	45.8
197.04536	0.8
203.07050	0.8
205.01501	1.4
207.02950	3.8
219.02974	3.3
223.02449	5.8
227.07228	1.7
241.08539	1.2
269.08163	4.7
271.06140	15.0
283.06177	3.3
313.07196	100.0
325.07153	1.5
343.08197	25.3
415.10577	1.5
415.19849	1.2
433.11444	52.7
433.20428	15.5
454.73306	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	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18745	0.7
55.80241	0.7
59.01389	6.1
71.01384	5.1
73.61156	0.8
75.30661	0.8
80.03088	0.8
81.03475	0.9
83.01376	1.9
89.02441	5.0
93.03461	5.7
97.02936	1.1
101.02428	3.5
105.03481	1.1
107.01377	2.2
109.02972	1.0
113.02463	3.5
119.03503	1.8
119.05022	38.7
121.02948	4.0
123.00926	1.3
123.04485	1.0
125.02427	12.8
128.72647	0.9
135.04520	1.2
137.02505	2.0
139.13774	1.0
143.05029	4.1
145.02940	1.9
149.02428	7.7
150.65018	0.9
151.00363	32.4
155.03523	1.6
156.81708	0.9
163.00378	5.7
163.03955	1.2
164.01137	0.9
165.01930	17.6
167.03471	6.0
177.01950	4.3
179.03514	1.3
183.67018	1.0
187.03998	3.9
191.03650	1.5
193.01425	44.9
205.01453	1.8
207.02982	4.1
219.02913	6.5
223.02477	8.4
227.07219	1.9
245.08176	0.9
269.08179	3.5
271.06125	31.8
271.09033	1.1
283.06110	5.2
285.07339	1.3
313.07202	100.0
325.07205	4.1
343.08249	21.2
351.95740	1.2
394.96594	0.9
415.10483	2.0
433.11450	60.6
433.20944	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	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.5
63.02441	1.0
67.15265	0.9
67.22580	0.9
68.14349	0.9
72.10838	1.1
91.60911	1.0
93.03453	7.0
101.02437	1.2
107.01418	8.2
119.05009	13.4
121.02953	1.4
122.03709	4.4
125.02407	4.6
149.02469	1.3
150.03149	4.9
151.00365	64.0
164.01097	2.2
165.01956	1.4
165.05579	5.8
177.01917	10.7
192.03458	1.1
227.07254	1.7
235.94809	1.1
271.06125	100.0
359.22653	1.0
409.87375	1.0
433.11441	53.4
433.20935	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01383	50.0
73.02950	10.0
83.01391	6.6
85.02962	20.3
87.00896	2.1
88.85933	1.4
89.02440	58.9
93.03465	2.5
97.02984	1.7
99.95176	1.4
101.02439	33.9
106.04242	8.4
107.05031	6.9
113.02459	19.9
113.60116	1.7
119.03510	14.8
119.05011	15.3
120.87665	1.4
125.02425	6.8
131.03477	1.7
137.02472	7.5
140.63239	1.8
143.04973	1.5
149.02480	1.8
149.04558	5.4
151.00348	3.7
161.04590	7.0
165.01926	3.0
173.07597	1.4
177.09193	16.1
179.05626	13.3
185.06075	7.5
187.04083	1.8
193.01419	12.3
225.05542	2.6
227.07138	84.4
253.05066	43.1
271.02979	2.1
271.06110	58.6
271.19070	1.8
283.13412	41.8
300.02750	13.1
301.14340	2.1
313.07236	28.1
343.08224	6.6
373.22348	2.1
385.22232	1.8
387.20319	13.7
406.68735	1.6
415.23486	6.0
433.11987	32.5
433.19507	6.6
433.25259	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09135	0.7
57.21712	0.7
81.03455	7.1
83.01423	1.1
86.57218	0.7
89.74156	0.7
95.05019	4.2
99.04505	5.8
123.04512	5.5
125.02445	30.5
137.02429	3.2
139.03989	3.2
163.55379	0.8
163.99887	0.7
167.03502	100.0
179.03499	1.7
197.04568	18.0
218.96584	0.7
287.07864	5.7
313.07208	18.5
343.08350	4.3
371.84933	0.7
433.11392	12.8
433.20425	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08603	0.2
58.24052	0.3
59.01387	6.6
59.97206	0.3
60.09966	0.2
61.98835	8.7
63.02390	0.3
65.00323	1.6
71.01398	2.7
72.61438	0.3
73.02946	0.3
73.63860	0.3
83.01383	1.7
85.02942	0.6
87.84503	0.3
89.02442	2.6
93.03452	7.4
94.49774	0.3
101.02447	2.2
107.01389	5.4
113.02406	1.5
116.23840	0.3
119.03674	0.4
119.05022	15.2
119.17875	0.3
120.26544	0.3
121.02978	0.7
122.03734	4.2
125.02457	2.3
136.01666	0.6
151.00365	59.3
164.01076	2.5
165.01984	2.2
169.01434	0.7
177.01921	7.8
185.05994	0.3
191.14386	0.4
209.15419	1.5
227.07115	1.1
253.14430	1.2
268.03787	1.2
269.04260	1.9
270.04440	4.1
271.06125	100.0
313.07281	0.6
343.08371	0.3
433.11383	47.3
433.20801	6.0
433.25504	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	433.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55315	7.7
58.43908	6.6
58.60772	7.3
59.01382	19.0
65.71244	8.1
75.92421	7.7
81.00752	8.4
103.31023	8.5
104.98380	7.9
113.72040	8.1
125.02488	9.8
151.00316	11.1
165.01909	41.8
271.03067	7.9
271.06125	100.0
300.02792	82.5
301.03604	17.5
327.32211	9.1
327.70114	10.3
432.25473	8.9
433.12021	40.1
433.20605	19.0
435.45444	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	433.1294
Annotation	Haplopappin
Peak:m/z	Relative Intensity
59.01387	6.0
61.10659	0.6
61.98837	0.9
71.01379	1.5
71.85415	0.7
78.39850	0.6
85.02973	0.9
101.02446	1.6
109.15359	0.7
147.37117	0.7
151.07529	0.9
170.36258	0.7
198.03133	0.7
225.05774	0.9
227.03484	13.0
239.03770	0.7
241.04997	0.9
242.05850	18.9
257.08170	12.3
269.04547	9.3
271.22766	6.9
331.19147	1.0
338.41132	0.8
342.05322	17.7
343.06082	0.9
346.04758	0.9
355.19290	1.0
357.07623	5.4
368.06879	2.8
369.07651	0.7
371.05380	8.7
374.04367	12.1
383.09155	1.4
385.07104	2.6
386.08038	4.8
387.08759	25.6
401.10257	8.7
419.11267	1.4
433.12964	100.0
433.28168	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
60.99309	10.8
66.75784	0.4
71.01385	2.6
73.02963	0.7
83.01385	0.6
87.04498	0.6
88.98799	100.0
89.02436	5.0
90.27028	0.5
101.02418	1.1
109.02921	1.1
111.53320	0.5
113.02462	0.7
125.02469	1.9
137.02458	0.7
148.04053	0.8
151.03932	0.8
152.26909	0.5
159.45926	0.5
165.01962	0.8
177.01875	0.7
181.08727	8.6
182.08966	0.7
205.05064	0.7
211.09839	0.8
215.31609	0.5
227.07111	3.5
271.10843	2.4
289.07330	0.6
343.14038	2.3
361.09448	0.7
361.81049	0.5
364.60123	0.6
401.12451	0.9
424.23135	0.5
433.16016	4.7
433.21106	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21861	1.1
59.01379	3.2
60.50540	1.1
60.99316	12.4
71.01347	1.6
84.61816	1.4
88.98241	3.3
88.98802	100.0
89.02431	1.7
98.30750	1.4
104.50812	1.3
105.01914	8.9
109.02947	1.8
121.02972	1.8
125.02416	5.7
135.04539	2.4
151.04033	2.6
161.02483	5.5
165.01897	8.0
177.01871	11.4
180.14720	1.6
181.08707	8.0
189.36481	1.6
227.07172	1.9
327.05194	12.4
336.35077	1.8
373.05588	2.3
433.21021	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	433.1355
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
58.09179	1.3
59.01384	21.4
71.01389	18.9
73.02924	2.5
83.01373	2.3
85.02935	2.8
89.02433	28.9
91.15138	1.3
93.03458	16.9
95.01398	1.6
97.02914	1.5
99.00845	1.3
101.02448	11.6
105.37080	1.6
113.02438	6.3
119.03495	5.1
123.04503	2.2
124.01633	9.0
125.02413	7.7
131.03593	1.8
131.07143	2.2
136.01642	1.4
137.02446	92.6
139.03023	2.2
139.04010	46.2
149.04547	5.3
151.03987	3.1
151.06110	5.8
165.01894	3.2
177.01881	2.9
179.02036	2.0
179.03499	28.6
209.04561	2.5
239.05577	17.9
281.06537	1.8
293.08716	8.9
309.62665	1.5
327.05002	6.5
419.61325	1.5
433.08575	4.9
433.13437	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	433.1638
Annotation	(-)-Cycloartocarpin
Peak:m/z	Relative Intensity
52.91672	1.7
55.10372	1.7
59.01374	3.1
66.43410	1.7
80.36107	1.6
82.91450	1.5
106.28635	1.6
106.35364	1.5
108.02169	1.5
109.06593	3.7
121.06596	2.2
123.04548	8.7
125.02419	8.0
125.06082	6.9
135.04512	12.2
137.02449	2.0
137.06076	30.0
139.03978	2.8
139.07648	2.2
149.06059	2.5
151.04027	2.7
153.05602	7.0
155.07173	2.6
165.05544	13.1
167.07167	2.3
173.06055	2.2
173.09639	2.7
175.04465	1.6
183.06638	24.7
184.87271	1.6
185.86339	1.6
189.09383	1.7
211.07585	2.0
211.11296	3.7
215.10861	6.7
227.10817	6.9
229.12314	2.1
240.07889	4.2
245.11897	3.2
255.10352	21.1
273.11316	35.1
291.12399	49.9
336.78436	1.7
367.17624	100.0
397.19095	12.5
403.99734	1.7
433.07904	3.0
433.09686	2.4
433.16388	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45575	1.0
55.01880	1.4
59.01384	100.0
61.66837	1.0
63.60704	1.1
64.19578	1.1
71.01009	1.5
71.01375	33.3
72.78458	1.2
72.99290	1.6
73.02934	2.5
81.03430	1.7
83.01353	1.9
83.04993	2.3
85.02922	7.1
89.01919	2.2
89.02438	45.4
90.07622	1.2
95.01353	1.7
97.06564	1.7
99.04501	2.1
101.01830	1.4
101.02437	27.0
113.02442	18.2
114.36217	1.2
115.00348	2.4
115.03987	9.2
115.66542	1.1
119.03511	15.6
123.08191	1.3
155.10733	2.6
161.04503	1.7
175.02376	5.5
179.05539	9.1
191.14351	6.6
199.09750	1.7
211.13242	1.4
253.14435	2.5
271.19382	1.1
315.14270	2.8
373.22018	4.4
433.20532	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66510	0.8
56.02449	0.9
57.03429	1.4
58.00587	2.4
59.01383	83.9
60.02009	0.9
61.98822	1.1
63.19046	1.1
67.05775	1.1
70.83137	1.0
71.00999	1.5
71.01377	29.3
71.10891	1.1
72.99333	1.1
75.21851	1.0
75.92045	1.0
81.03428	6.2
83.01379	2.6
85.02935	5.5
89.02435	47.2
89.02986	1.5
95.01324	1.5
97.02957	2.0
99.04040	0.9
99.04525	14.9
100.36042	1.1
101.02444	32.4
109.10194	1.3
113.02448	13.7
119.03500	19.1
123.04518	2.5
126.13462	1.1
136.34120	1.1
143.03561	1.3
153.05576	11.4
161.04553	1.9
179.05595	5.8
191.14413	4.7
196.22008	1.4
235.13339	5.3
252.39844	1.2
433.20724	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96766	0.6
57.03438	1.0
59.01385	63.0
60.99305	0.7
61.98789	0.7
62.06752	0.7
70.87103	0.7
71.01379	22.5
73.02942	1.3
73.49522	0.8
78.95946	0.7
81.03455	1.9
81.71699	0.7
83.01370	1.3
85.02932	7.4
89.02440	34.4
95.01390	1.6
95.05003	1.0
99.04446	1.0
99.08155	18.7
101.02435	19.3
113.02437	10.4
119.03486	11.6
139.11282	3.4
161.04616	1.5
167.07091	4.0
179.05557	1.7
191.14427	9.8
253.49742	0.9
271.15433	1.7
318.35403	1.0
433.20731	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	433.2444
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
50.33525	0.4
57.03450	0.9
57.69782	0.5
59.01387	60.8
71.01381	7.4
73.02953	6.0
75.30464	0.5
82.76489	0.5
83.01390	3.7
85.02943	6.2
85.77950	0.5
89.02444	2.1
94.33051	0.5
95.01376	0.6
96.20834	0.6
101.02438	15.6
113.02435	3.8
123.04503	6.3
125.02426	0.7
133.46376	0.6
153.05588	13.5
167.07153	7.1
240.68137	0.6
247.03645	0.5
253.15025	0.6
373.22275	2.6
433.24454	100.0
441.54968	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	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12487	0.7
59.01385	100.0
63.33313	0.7
63.37414	0.7
64.25236	0.7
68.23988	0.9
71.01382	11.2
73.02939	3.1
85.02897	2.7
89.02444	10.1
92.19458	1.4
99.00869	1.4
101.02437	10.9
113.02423	7.7
118.42191	0.8
119.03494	5.2
125.02489	0.9
136.03064	0.8
161.04582	4.4
167.03473	11.1
213.98103	0.8
230.05176	1.0
238.93494	0.9
264.59262	0.8
333.90002	0.9
372.70535	0.8
373.22333	57.3
433.24222	5.6
436.30685	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01387	3.8
73.02943	1.5
81.03435	1.4
83.01354	0.9
83.63866	0.7
85.02947	2.9
89.02409	0.8
95.05008	0.7
99.04486	2.3
101.02432	5.8
113.02447	3.0
115.04012	0.7
123.04498	1.5
123.08085	0.9
125.02435	9.3
127.74548	0.6
137.02489	1.2
161.04559	1.2
167.03487	22.9
191.14420	0.7
197.04520	3.6
271.15659	0.8
287.07718	0.9
293.09232	0.9
313.07169	3.4
373.22324	12.2
433.11383	3.4
433.25241	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	433.2446
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
59.01385	100.0
60.93608	0.9
64.88396	1.0
71.01369	13.1
73.15192	1.0
85.02948	5.1
89.02436	13.4
97.06540	1.4
101.02434	10.3
113.02452	7.8
117.03458	1.4
119.03519	4.8
161.04553	5.6
253.18095	2.5
271.19208	17.7
283.02390	2.7
373.22357	40.7
401.06735	15.1
415.23715	1.4
433.09265	18.1
433.14020	1.7
433.24808	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02114	1.3
50.59610	1.4
56.35728	1.6
56.63652	1.6
57.83757	1.4
59.01383	100.0
63.44147	1.5
71.01379	44.5
73.02953	6.8
83.01387	2.8
85.02933	9.1
89.02442	77.2
95.01379	2.8
101.02430	34.2
113.02440	23.0
119.03500	25.0
143.03546	2.1
148.65866	1.7
156.28064	1.5
161.04568	7.4
179.05592	26.3
198.03125	2.0
205.16043	2.1
209.15483	7.4
221.11919	2.2
221.15411	4.0
271.19138	18.9
431.02185	1.8
433.09268	3.2
433.18964	3.4
433.24509	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
57.03452	2.2
59.01384	100.0
60.36277	1.6
64.98138	1.4
65.27173	1.5
71.01382	42.9
73.02950	6.6
85.02957	12.1
88.08650	1.5
89.02439	80.2
90.52636	1.5
92.19447	3.1
95.01382	1.9
101.02449	38.7
107.23760	2.0
113.02442	23.2
119.03487	32.1
129.95876	1.8
131.03462	2.2
143.03494	3.0
161.04523	9.8
176.22549	1.8
179.05620	25.7
204.83664	1.9
209.15343	3.2
211.13385	2.6
221.15451	8.0
271.19165	20.3
433.24506	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39941	0.4
50.68889	0.5
69.03446	0.5
73.02950	2.4
78.95905	28.6
81.03461	0.6
83.05042	7.1
93.03456	32.4
93.04051	1.1
96.96964	3.9
97.95387	0.6
111.04516	16.6
137.01436	1.0
137.02449	22.4
150.98068	1.3
152.99588	100.0
155.03505	22.4
171.00667	4.2
200.87161	0.7
257.34821	0.6
277.21704	10.8
279.03445	0.7
356.54086	0.6
433.24310	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	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59230	0.3
91.69315	0.3
117.03465	5.3
119.05000	5.5
127.11234	0.4
145.02953	100.0
146.75726	0.3
163.04016	7.3
264.99960	0.3
265.76266	0.3
287.22263	18.8
313.07556	0.3
347.25562	0.4
415.24881	0.5
433.25970	50.2
441.35251	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	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49193	0.4
77.21156	0.4
96.71328	0.5
117.03448	4.1
119.05029	5.5
130.73936	0.4
143.24373	0.4
145.02956	100.0
158.04463	0.4
163.04007	6.0
167.08885	0.4
217.24924	0.4
269.21426	0.4
287.22302	15.5
415.24911	1.6
433.25983	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.92336	0.6
63.71657	0.6
65.63925	0.6
78.95908	11.5
83.05030	3.7
93.03454	33.1
108.54978	0.7
111.04513	11.4
133.02991	6.3
135.04582	3.6
137.02437	34.7
152.99579	19.4
155.03497	29.4
161.02443	100.0
173.19487	0.8
179.03471	1.7
271.22797	16.6
277.21753	7.3
415.25226	3.5
433.26074	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
62.17468	0.6
62.98786	0.5
67.35976	0.5
73.02937	0.7
75.77404	0.6
78.95912	6.7
96.96977	0.8
107.05016	3.3
114.85089	0.6
122.03723	7.1
123.04487	0.9
135.04523	100.0
148.05310	1.3
151.03999	5.0
152.99586	14.1
161.02438	0.8
415.32330	1.4
417.30066	0.9
418.30936	12.4
431.31818	2.8
433.23596	3.5
433.33255	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67601	0.2
56.62618	0.2
58.30935	0.2
59.01382	1.5
70.42899	0.2
71.01374	0.3
71.19197	0.2
78.03492	0.2
83.01390	0.2
89.02435	0.4
92.63653	0.2
101.02426	0.4
105.05411	0.2
113.02464	0.3
122.02471	6.7
122.03728	4.1
128.63899	0.2
137.06091	0.4
147.82195	0.2
152.33997	0.3
167.07137	100.0
169.37329	0.2
179.05406	0.2
230.61130	0.3
242.14931	0.3
245.12192	0.2
274.14410	0.2
311.11395	0.4
316.18649	0.3
328.53516	0.2
344.83640	0.2
346.53046	0.2
434.09097	0.4
434.14682	2.5
434.20493	0.8
434.25641	0.3
443.22015	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81297	0.7
59.01383	4.9
61.01808	0.8
61.98837	100.0
64.40323	0.8
67.95499	0.6
70.11112	0.7
73.13554	0.7
81.55410	0.6
121.67078	0.7
131.31320	0.7
192.49402	0.7
263.84183	0.8
344.69089	0.7
367.76718	0.7
369.31766	0.7
374.21600	1.3
382.28323	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	435.0936
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
53.89457	0.6
59.01385	6.7
61.51766	0.6
71.01377	4.1
73.02940	1.7
81.30512	0.7
85.02939	2.9
89.02438	3.4
92.20214	0.8
93.03439	6.5
101.02440	6.1
103.04014	1.3
108.02182	10.5
109.02952	54.9
113.02446	1.2
115.04957	0.9
116.41438	0.7
119.03456	0.8
123.00877	0.8
123.04514	1.3
132.28267	0.7
137.02452	23.7
149.02426	1.5
151.03970	1.4
151.97911	0.7
152.01157	33.2
153.01936	94.8
165.38995	0.7
213.54237	0.7
218.39696	0.8
265.79465	0.7
281.06754	1.5
315.07190	15.7
435.09341	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00501	0.9
59.01384	30.9
60.94266	1.1
69.91904	1.3
71.01384	16.9
73.02966	2.0
81.03452	2.0
83.01410	1.7
85.02953	7.2
88.33247	1.3
89.02448	14.8
95.01377	1.2
97.02943	1.6
99.00893	1.6
101.02444	14.7
113.02429	6.7
119.03486	2.9
121.02941	7.9
123.00871	5.0
124.01665	10.2
125.02436	60.8
137.02478	2.5
149.99586	30.2
151.00366	1.9
168.00639	80.7
169.01430	6.4
193.15947	4.8
213.15115	1.7
241.55559	1.3
255.19760	4.6
273.20709	41.1
417.25043	6.1
435.09399	100.0
435.26315	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88186	6.3
83.01414	11.4
92.19319	7.1
105.01926	26.9
106.52593	7.3
108.83650	6.8
109.01521	7.0
109.02946	47.0
121.02927	12.9
123.04488	40.1
125.02460	49.3
137.02423	33.7
140.44440	7.0
149.02420	15.7
151.03996	29.7
161.02440	13.0
161.06010	10.5
161.74446	7.3
163.00368	51.3
163.04028	11.5
165.01897	98.0
167.03444	39.8
177.01921	59.8
179.03487	15.3
187.03807	7.8
203.07144	36.1
205.01431	42.3
205.05040	32.2
206.02145	9.9
229.05037	29.6
231.02948	16.4
239.13326	9.3
245.08270	56.1
247.06134	16.3
289.07095	91.4
315.05191	100.0
327.04849	12.1
329.06659	38.2
333.06259	90.3
344.38156	7.7
345.06161	31.7
347.07669	51.1
357.06079	68.8
375.07303	8.1
399.07489	26.1
417.08542	15.7
428.13440	7.1
435.09161	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
53.56818	0.6
59.01383	11.9
67.12806	0.7
67.53390	0.7
71.01365	0.8
74.58189	0.7
83.01385	0.8
89.02433	0.9
97.02948	1.2
101.02456	1.2
103.58019	0.7
109.02952	1.0
121.02950	9.0
123.00854	3.0
124.01649	11.5
125.02441	67.5
134.43817	0.7
137.02443	4.0
149.99579	30.7
151.00334	3.1
168.00641	90.3
169.01422	6.5
273.20749	3.6
297.22430	0.7
313.05588	1.1
417.08368	1.5
435.09351	100.0
435.26172	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58960	4.9
58.24696	5.0
58.49214	4.0
59.01385	4.6
71.01408	6.4
83.01366	11.2
91.46543	4.8
92.20140	10.9
97.02912	9.7
99.00851	7.0
99.46380	4.7
99.51089	4.5
101.11005	4.9
105.01939	20.0
109.02958	42.9
121.02984	6.4
121.16913	5.7
123.04517	32.5
125.02425	36.7
129.47333	5.0
137.02422	31.7
139.03983	9.3
149.02405	27.0
151.00375	9.8
151.03986	28.9
161.02386	10.2
161.06133	7.1
163.00392	41.9
164.01236	6.9
165.01904	77.4
166.02686	5.6
167.03450	39.0
177.01935	39.6
179.03458	10.2
187.04074	6.1
191.03461	8.3
193.01439	5.9
203.03586	5.7
203.07153	25.0
205.01440	22.3
205.05064	24.1
229.05113	24.1
231.02907	10.5
233.00868	7.1
245.04410	7.0
245.08246	39.3
247.06108	28.0
289.07214	84.1
315.05139	100.0
327.05069	19.1
329.06628	27.5
333.06152	60.7
345.06223	26.0
347.07721	52.6
357.06192	81.0
371.07614	10.1
375.07251	32.3
399.07208	28.5
409.00406	5.3
413.95767	6.6
417.08447	35.6
435.09354	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64165	1.3
59.01364	5.6
64.92908	1.3
72.95552	1.4
75.92477	1.5
83.57757	1.5
92.19424	2.1
93.03419	2.9
102.60259	1.3
107.04974	2.8
109.02920	10.1
116.24203	1.3
121.02879	9.0
122.03695	2.4
123.04437	7.3
124.01636	10.0
125.02447	58.0
133.68820	1.5
137.02383	2.0
145.02882	2.3
149.99586	30.2
151.00240	1.7
151.03903	6.5
151.14546	1.3
153.05519	1.8
167.03387	9.6
168.00635	84.8
169.01279	2.7
177.01976	16.7
179.03380	1.9
189.01895	10.6
190.02629	7.8
191.03354	2.9
207.55646	1.4
209.04381	1.9
216.00612	2.0
217.01462	17.1
219.02800	8.5
229.08669	18.5
231.02812	6.3
271.05981	3.4
273.07510	8.0
281.04391	6.2
283.02188	2.5
285.54971	1.4
297.07416	2.6
315.08658	11.9
341.06705	49.9
375.12299	2.6
387.11823	5.6
417.08014	2.3
417.13089	2.5
435.09167	100.0
435.26099	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	435.0938
Annotation	Taxifolin 3-arabinoside
Peak:m/z	Relative Intensity
57.03460	4.0
59.01362	3.0
73.02954	4.0
74.29494	2.2
83.01391	3.1
87.65601	2.1
89.02460	2.2
97.02914	3.0
101.01791	4.3
101.02440	92.0
109.02950	14.9
120.57887	2.9
123.04526	23.5
125.02458	18.6
137.02460	21.5
145.01434	100.0
149.02435	5.8
151.04019	12.6
161.02409	2.6
165.01932	3.5
165.05600	4.0
167.03581	2.2
177.05600	9.5
179.03441	3.6
194.71867	2.4
203.03633	3.4
203.07092	13.2
205.05113	21.1
231.02831	4.5
245.08183	5.2
247.06007	4.2
273.07709	4.3
285.03888	2.6
289.07227	28.9
303.05072	4.9
303.08527	3.1
329.10272	10.2
334.42300	2.5
355.08298	14.9
373.09305	9.3
399.20148	2.8
417.08029	2.9
435.09277	96.0
435.18268	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	435.1087
Annotation	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Peak:m/z	Relative Intensity
55.92284	0.7
58.85400	0.8
59.01390	1.3
64.25251	0.8
64.66924	0.9
71.01364	0.9
89.02443	0.8
90.74229	0.7
93.03440	9.3
94.98088	1.5
106.22179	0.8
109.02952	16.6
113.02474	1.2
121.02934	0.9
123.04526	16.7
125.02402	1.7
128.36848	0.8
141.80621	0.8
145.02959	9.6
147.04500	1.3
149.02466	1.3
150.03250	1.1
151.04019	11.8
161.02467	1.0
163.04033	1.1
164.01141	1.1
165.01909	0.9
177.01918	34.8
187.04002	3.8
188.04816	1.0
189.01933	47.1
190.02731	12.7
191.03522	11.7
203.03517	8.3
216.00723	8.7
217.01430	58.7
218.02171	3.2
219.03000	25.3
227.07213	4.2
231.02992	22.5
232.03691	1.3
245.08202	1.7
271.06104	7.0
281.04486	5.8
283.06216	3.8
289.07202	5.5
297.07718	3.5
308.54672	1.0
311.05679	4.0
323.05563	2.1
341.06680	100.0
352.53809	1.2
434.46402	0.9
435.10916	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1086
Annotation	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Peak:m/z	Relative Intensity
50.27921	0.7
54.32603	0.7
93.03451	8.6
97.02913	0.8
109.02958	17.6
123.04529	16.7
133.02892	0.9
145.02957	9.5
147.04567	1.1
151.04010	9.7
165.01892	1.2
177.00499	1.6
177.01933	36.4
187.03978	4.2
189.01950	45.1
190.02740	15.0
191.03532	11.8
203.03467	5.9
205.05025	1.0
216.00676	7.2
217.01425	66.6
218.02184	4.2
219.02979	26.6
231.02969	23.9
232.03825	1.4
233.04575	1.6
245.08037	1.3
269.04388	0.9
271.06070	5.1
281.04474	3.7
283.06094	3.1
289.07233	5.3
297.07660	1.9
311.05670	7.1
323.05615	3.5
341.06665	100.0
430.16119	1.1
435.10870	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.3
59.01402	15.9
65.92314	1.6
69.53003	1.8
70.54665	1.9
71.01398	13.9
73.02946	3.8
83.01395	2.0
85.02964	3.7
85.39292	1.8
88.92668	1.6
89.02451	4.4
93.03444	11.2
99.00852	1.9
101.02451	12.1
101.48910	1.9
109.02945	15.2
112.23126	1.6
113.02415	2.4
119.32561	1.8
121.02917	7.1
123.04497	14.4
125.02460	16.0
137.02470	8.2
145.02969	9.2
149.99519	4.3
150.03232	2.0
151.04068	7.3
168.00665	16.2
177.01939	29.6
187.04030	2.2
189.01961	38.1
190.02689	13.4
191.03557	10.6
196.97496	1.8
203.03534	3.1
216.00633	10.0
217.01425	58.2
218.02190	2.7
219.02972	23.6
231.02954	21.5
233.04489	2.9
273.20819	18.1
283.05975	2.6
289.07172	2.9
289.16693	3.3
289.67020	2.1
292.99789	2.3
311.05682	4.3
341.06659	91.6
417.25009	3.7
435.10822	100.0
435.20703	3.9
435.26221	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1087
Annotation	Hyperielliptone HD
Peak:m/z	Relative Intensity
72.64812	1.1
93.03444	9.8
94.29582	1.2
109.02939	13.5
119.05031	1.4
123.04517	12.0
145.02914	8.8
151.04015	12.3
177.01935	36.9
179.03439	1.3
187.03961	2.0
189.01949	46.5
190.02721	15.0
191.03519	11.7
203.03471	2.7
216.00626	9.3
217.01405	51.9
218.02080	2.2
219.02965	28.1
227.07140	1.3
231.02960	21.6
232.03712	1.9
233.04607	1.9
271.05984	7.6
281.04523	2.4
283.05920	1.7
289.07016	2.5
297.07834	2.5
311.05545	7.0
323.05515	2.7
341.06680	100.0
435.10864	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1088
Annotation	Hyperielliptone HD
Peak:m/z	Relative Intensity
54.60527	1.3
59.01383	12.8
71.01387	14.5
71.01704	1.5
73.02933	6.5
79.29209	1.8
79.30594	1.4
83.01379	6.2
85.02966	10.6
89.02449	1.7
93.03457	10.4
93.26086	1.6
97.02927	1.8
101.02441	13.8
108.65975	1.7
109.02933	19.5
113.02415	7.2
123.04527	12.9
125.02439	5.9
133.85173	1.7
145.02939	11.0
147.04457	1.7
151.03992	13.0
161.04555	3.6
177.01949	37.0
187.03946	2.9
189.01941	46.7
190.02721	15.5
191.03540	14.1
203.03569	8.0
216.00630	9.5
217.01422	73.6
218.02136	1.9
219.02983	26.3
231.02953	24.5
233.04666	2.0
269.04492	2.1
271.06287	2.2
281.04474	1.9
289.16620	13.5
311.05573	6.4
341.06696	87.1
416.09674	1.6
435.10831	100.0
435.21375	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36641	0.9
61.16772	1.0
65.19141	1.2
81.76167	1.0
83.45496	1.1
93.03455	6.2
109.02946	17.7
123.04515	15.7
145.02943	12.5
151.04005	14.1
163.03937	1.4
177.01920	35.7
187.04047	1.6
188.04796	1.3
189.01930	43.3
190.02710	11.2
191.03534	10.4
197.85594	1.2
203.03513	5.2
216.00589	8.0
217.01422	57.1
218.02202	2.3
219.02985	25.6
229.08754	1.6
231.02989	19.3
232.03777	1.4
245.08234	1.9
271.06058	7.9
281.04642	6.4
283.06253	1.6
285.62723	1.2
289.07199	5.0
297.07434	4.1
311.05615	4.1
323.05923	1.2
341.06665	100.0
435.10870	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1085
Annotation	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Peak:m/z	Relative Intensity
56.53775	0.9
59.01388	9.7
71.01390	1.2
71.94037	1.3
85.02973	1.4
86.01370	1.1
89.02471	1.2
93.03446	11.1
101.02445	1.8
109.02936	14.9
117.03432	1.4
119.04995	4.8
123.04510	14.2
125.02457	1.2
138.17383	1.2
139.03967	4.9
145.02979	8.2
149.09949	1.1
151.00316	6.1
151.03978	9.9
161.02328	1.4
167.03426	1.3
169.05043	9.2
175.82317	1.2
177.01944	36.8
182.42055	1.1
189.01942	43.2
190.02757	14.0
191.03502	11.8
203.03510	6.3
209.04565	1.6
216.00586	8.7
217.01408	58.9
218.02208	5.0
219.02951	25.1
229.05017	1.4
231.02977	21.2
231.78406	1.6
269.04724	1.7
271.06271	9.5
272.06381	5.9
272.82413	1.3
273.06595	13.7
281.04639	1.4
283.06174	4.4
289.07230	4.6
297.07620	1.3
311.05515	5.2
323.05469	4.8
341.06671	94.0
343.76498	1.6
435.10876	100.0
435.29816	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	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52442	1.1
59.01390	15.2
60.83963	1.2
66.48295	1.2
69.75645	1.3
71.01366	6.6
73.02939	1.3
77.28725	1.2
80.07935	1.4
85.02956	1.9
93.03455	9.5
97.02961	1.7
101.02438	5.4
106.29140	1.1
106.81421	1.4
109.02943	13.5
113.02393	1.6
121.02963	6.7
122.03719	6.6
123.04506	12.7
124.01605	2.2
125.02435	14.0
137.02461	5.0
139.03992	1.8
145.02965	7.1
149.99602	7.4
151.03998	8.1
153.01941	2.1
168.00626	23.3
169.05003	4.8
177.01939	28.3
181.38762	1.4
187.04018	2.4
189.01941	38.6
190.02646	9.8
191.03549	9.8
203.03520	6.2
216.00670	7.9
217.01414	54.4
218.02205	2.2
219.02994	27.5
231.02966	19.5
232.03773	1.4
233.04593	1.8
246.68037	1.6
269.04471	1.8
271.06125	5.4
273.11270	5.5
273.20703	23.9
277.41577	1.9
283.06189	3.3
289.07211	2.4
311.05597	2.8
341.06625	64.0
375.19800	2.1
381.45422	1.3
417.08191	1.6
417.24927	2.1
435.10522	100.0
435.26086	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47808	0.8
59.01379	8.0
59.18153	0.8
66.07890	0.9
75.17213	0.8
78.95905	4.4
85.02934	1.4
88.16124	0.9
89.02406	1.1
96.95988	5.5
96.96951	17.5
99.00854	1.2
108.80200	0.8
111.04536	1.1
115.00333	1.2
127.04036	1.2
142.99863	7.9
150.03229	1.0
165.05571	5.0
182.74866	1.0
191.05623	100.0
240.97543	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	435.13
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
60.34099	1.0
61.48549	1.0
61.79227	1.2
69.71316	1.0
70.37785	1.0
72.04058	1.1
81.03466	5.5
86.50060	1.2
91.31054	1.2
93.03465	2.5
101.02438	2.8
106.04247	2.6
109.02933	1.2
123.04523	88.5
137.02441	1.2
145.01482	1.9
149.02463	1.7
205.04884	1.4
223.27596	1.3
229.08707	93.9
255.06645	21.2
266.66464	1.2
273.07651	19.6
274.66919	1.2
435.13077	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	435.1299
Annotation	Trilobatin
Peak:m/z	Relative Intensity
50.39767	0.7
53.78141	0.7
59.01382	8.6
61.65013	0.9
62.91911	0.8
65.50895	0.8
81.03461	2.0
83.01400	1.2
85.02953	1.2
93.03457	6.0
94.99671	0.9
101.02428	1.1
109.02934	2.2
111.04523	1.0
119.05020	11.5
123.04523	20.8
125.02428	18.2
145.02921	1.6
149.02396	1.0
151.00349	1.6
151.03949	3.6
155.10834	1.1
165.05528	1.3
166.02705	4.2
167.03494	100.0
177.01924	6.1
177.17802	1.0
179.03510	10.1
189.01959	5.5
189.05565	1.4
190.02754	1.7
191.03355	1.1
209.04601	1.4
217.01413	7.0
219.02838	1.8
229.08626	4.1
231.02768	1.7
273.07693	86.4
281.04590	3.9
301.03406	1.2
315.08728	12.1
341.06668	17.7
345.09708	1.1
362.03610	1.2
363.24301	0.9
435.12833	21.5
435.22488	4.2
435.29968	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	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97522	1.3
55.60131	1.4
59.01382	28.9
59.01651	2.0
60.41044	1.5
60.97890	1.4
61.51528	1.2
64.67877	1.5
71.01381	27.3
73.02959	7.0
73.49815	1.6
82.74734	1.5
85.02944	37.7
87.00888	2.0
88.13680	1.3
89.02442	14.6
90.52605	1.9
93.03454	25.4
95.01379	1.8
99.00923	2.0
101.02448	30.9
113.02464	14.0
114.25687	1.5
116.14691	1.7
119.03488	11.0
123.04522	46.7
125.02462	3.8
135.04544	28.4
137.02443	94.2
151.04013	7.1
153.01979	2.4
153.05568	60.4
161.04594	2.2
167.07144	15.0
168.07503	10.9
175.68976	1.5
179.03499	23.7
208.03682	1.5
228.04265	2.3
239.05525	11.2
239.59534	1.8
281.06702	62.8
281.09866	2.0
285.07724	1.9
315.10892	9.3
349.18958	1.8
388.15271	1.6
435.13089	100.0
435.22171	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.42238	0.7
81.03456	5.8
83.01393	0.9
93.03451	3.8
95.05022	4.8
97.02944	3.8
99.04548	0.9
119.05014	3.8
123.04517	12.6
123.54398	0.8
125.02451	25.9
137.02452	1.5
137.06076	10.7
139.04015	1.1
141.05582	1.0
143.14697	0.8
147.04500	1.2
155.03435	1.5
165.05580	11.7
167.03496	66.3
179.03519	8.7
181.05081	3.3
189.05531	3.4
193.05112	1.6
197.04553	5.1
209.04555	25.0
221.04539	4.9
239.05667	1.5
261.63287	0.9
273.07706	10.0
285.07648	3.2
293.70093	0.8
315.08771	100.0
345.09824	25.3
417.11777	1.7
435.12952	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	435.1449
Annotation	Ugonin O
Peak:m/z	Relative Intensity
53.72534	0.6
55.29153	0.8
59.01376	2.0
61.60458	0.6
62.02838	0.7
83.01401	1.5
89.12497	0.7
92.20054	1.4
93.03412	1.0
97.02944	4.1
109.02947	16.9
121.02932	1.7
122.03733	7.7
123.04509	15.5
124.01649	1.5
137.02448	9.1
139.04033	1.5
145.02975	1.1
146.03741	1.0
149.02446	7.0
150.03195	1.4
151.04056	6.2
151.05070	0.8
152.99597	1.3
159.04468	1.8
161.02420	1.4
161.06062	7.2
162.03246	1.9
163.03989	3.1
164.01268	2.9
164.04756	1.3
165.01910	14.6
179.03519	3.1
187.03983	3.4
188.04794	1.6
191.03537	1.5
201.05573	0.9
202.06425	1.5
203.07202	10.7
203.10803	1.4
205.05075	12.8
224.16238	0.9
225.09253	0.7
226.10081	1.1
229.08775	1.6
231.03021	1.2
244.42419	0.8
247.06091	3.2
271.09689	4.7
283.09741	4.6
311.09317	1.1
325.11044	1.3
367.15665	1.6
391.15601	6.3
435.14526	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	435.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43295	3.8
58.00566	4.7
59.01385	93.6
64.83542	4.0
69.98100	4.1
71.01373	40.0
71.08301	3.9
75.00872	22.1
79.04491	4.5
85.02937	8.5
89.02435	100.0
96.28480	4.7
101.02438	19.9
113.02420	20.6
119.03488	25.2
125.19614	5.1
145.02972	40.9
147.04576	7.2
150.03227	5.4
161.02402	22.1
162.03215	58.7
165.05589	18.2
177.05553	21.4
179.05585	30.4
180.04187	5.7
188.30115	4.9
195.06641	27.5
224.55229	4.8
254.30637	4.3
342.91632	5.0
357.11841	42.5
375.13019	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33377	1.4
59.01373	1.5
66.38070	1.3
76.93326	1.4
82.08878	1.4
88.66888	1.4
98.35950	1.2
101.02433	1.9
129.78508	1.3
149.02428	9.0
149.22931	1.2
150.03252	23.8
161.04578	1.5
162.03229	1.7
164.04791	18.5
165.05571	100.0
180.04324	2.2
195.06639	20.5
327.10901	33.0
357.11871	2.9
407.17804	1.7
413.76660	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	435.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15976	0.7
59.01384	100.0
77.45006	0.7
78.45178	0.6
183.09790	0.8
227.10789	1.9
273.20724	1.2
301.14313	1.8
435.26242	2.7
436.07285	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	435.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31573	8.6
58.49164	9.8
59.01381	19.0
83.30899	10.9
92.19463	22.9
107.98566	11.5
108.08039	12.7
124.90504	11.8
125.02422	51.5
134.13545	11.6
134.14592	12.0
145.14738	11.9
193.67767	13.0
207.75893	11.7
287.39761	12.1
314.09299	11.7
435.24075	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	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
67.19336	8.0
69.38882	8.0
71.01385	6.9
85.02949	8.7
88.08627	8.5
112.81725	8.1
125.02413	49.9
152.99617	9.9
169.86304	8.5
185.79137	8.4
273.09113	15.0
323.05582	9.8
373.42319	8.7
435.23557	100.0
435.28903	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	435.215
Annotation	Arisugacin G
Peak:m/z	Relative Intensity
51.79755	6.0
59.01388	99.9
82.47790	7.5
92.40166	6.7
96.96043	13.9
104.96157	7.7
106.75346	7.0
125.02422	11.7
125.09702	12.1
166.30505	8.3
196.42352	7.4
205.10556	7.8
349.53421	7.4
391.23212	10.3
435.22635	100.0
435.28809	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	435.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96719	5.2
59.01381	11.7
60.65742	5.0
71.70606	5.4
72.97015	6.1
92.94041	5.1
103.82627	6.2
125.02525	8.7
135.62350	6.5
147.29802	6.0
152.99568	9.8
154.12128	6.4
182.95021	6.6
184.18674	6.5
321.18716	6.4
435.21542	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	435.2157
Annotation	Lespedezaflavanone G
Peak:m/z	Relative Intensity
59.01392	100.0
60.98216	9.7
61.98832	12.2
73.02954	16.7
77.41843	9.2
79.38849	9.3
101.02426	14.9
113.02433	14.2
177.01768	14.5
189.12950	14.4
192.11977	11.2
314.35608	13.7
326.95773	14.0
351.89874	14.6
435.21307	86.7
435.27798	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2159
Annotation	Lespedezaflavanone G
Peak:m/z	Relative Intensity
56.48922	5.3
59.01376	7.7
62.85194	4.2
89.39326	6.1
148.27110	5.4
198.54105	5.2
324.79437	5.4
435.15173	18.9
435.21536	100.0
459.23639	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	435.2237
Annotation	HC Toxin
Peak:m/z	Relative Intensity
58.66165	1.3
59.01383	77.2
66.33524	1.2
69.53994	1.5
71.01382	26.7
74.10226	1.3
79.45528	1.4
79.46019	1.2
81.03429	3.0
83.01366	1.8
85.02934	7.3
86.91551	1.4
89.02445	40.3
95.01355	1.7
99.04485	2.4
101.02438	26.9
113.02456	12.5
115.03990	3.2
119.03492	11.9
143.03436	1.5
173.21840	1.7
179.05618	6.4
193.15982	12.8
196.67607	1.6
212.26340	1.3
237.14944	5.1
291.46362	1.5
435.22342	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	435.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05016	0.9
51.71543	0.8
57.03442	5.2
61.51107	1.1
68.49026	0.9
74.06168	0.8
86.54021	0.9
92.19408	3.1
116.92873	1.8
125.02438	100.0
132.20329	0.9
152.99579	1.7
167.46587	1.0
169.75687	0.9
231.46968	0.9
245.68315	0.9
435.23862	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	435.2387
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
57.03448	4.1
63.11503	0.4
80.22202	0.3
81.03425	0.4
83.01387	5.3
96.92141	0.4
123.04456	0.9
125.02435	100.0
127.41976	0.4
149.02454	2.4
163.62744	0.3
167.03467	1.8
208.03384	0.4
239.20143	0.6
267.19614	1.4
309.20602	1.9
417.22726	1.2
435.23846	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47374	0.4
53.41081	0.3
55.01880	1.1
57.03452	0.4
59.01384	44.1
61.98840	0.5
63.16604	0.4
69.03417	0.4
70.50941	0.4
71.01383	13.4
73.02954	4.6
75.13424	0.4
75.24263	0.4
80.21777	0.4
83.01392	2.8
85.02951	6.0
87.00874	0.8
87.52393	0.4
89.02442	3.5
90.38797	0.5
91.32705	0.4
93.03462	5.0
95.01388	0.6
99.00845	1.5
101.02440	11.4
106.24589	0.5
109.02943	8.4
111.00880	0.5
113.02436	5.0
117.78909	0.5
119.03477	0.6
119.05078	0.9
121.02952	2.4
122.03731	59.5
123.04507	7.1
124.01651	0.6
125.02432	0.9
127.11244	1.0
129.01894	0.5
134.06142	1.1
136.05299	5.2
137.02429	3.5
139.04013	2.0
145.02946	6.8
150.03233	0.9
151.03987	5.9
154.02733	2.9
159.03017	0.5
161.02457	0.5
161.04550	3.7
163.04002	0.7
169.05049	5.7
175.03992	0.5
177.01917	22.4
187.03986	1.8
188.04866	0.6
189.01941	29.1
190.02734	6.8
191.03496	7.3
203.03525	3.9
205.05006	0.5
216.00600	5.0
217.01419	36.3
218.02213	3.2
219.02982	16.2
229.05128	0.6
229.08749	0.8
231.02972	12.4
232.03789	0.7
233.04478	0.7
241.05080	1.9
245.08319	0.5
255.03053	0.8
255.19653	0.9
258.08969	6.7
268.03696	0.6
269.04581	2.4
271.06140	2.6
273.11325	58.1
273.20703	30.5
273.23685	0.7
275.87302	0.4
281.04559	1.1
283.06128	2.5
289.07245	2.3
296.07687	0.9
297.07785	0.9
311.05634	3.6
315.21573	0.5
323.05624	2.2
341.06671	52.8
375.20193	8.8
417.25009	4.0
435.10941	57.7
435.26099	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	435.26
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
59.01382	19.3
64.59142	0.7
71.01383	6.2
72.99313	1.0
73.02943	3.4
73.77957	0.5
80.11848	0.6
81.23941	0.7
83.01378	1.3
85.02946	4.1
87.00857	0.8
89.02458	1.1
93.03467	3.9
95.01375	0.8
99.00856	0.7
101.02435	5.9
109.02940	5.7
113.02437	2.4
121.02946	1.2
122.03725	6.4
123.04539	4.2
124.01645	1.4
125.02426	11.4
137.02484	2.3
139.04007	1.1
139.56688	0.6
140.69902	0.6
143.10799	1.0
145.02924	1.1
148.80621	0.6
149.99594	5.4
151.03999	2.9
153.01917	1.5
168.00650	15.7
169.05038	2.7
170.82494	0.6
174.04974	0.6
177.01950	8.3
187.03992	0.8
189.01942	11.9
190.02736	3.3
191.03477	3.3
195.98346	0.7
203.03578	1.2
216.00618	1.4
217.01401	14.5
218.02197	0.9
219.02982	5.0
224.94460	0.7
225.66638	0.6
231.02812	4.8
233.04774	0.7
255.19591	1.3
271.06177	1.0
273.07922	1.0
273.11319	5.7
273.20703	29.5
290.88858	0.7
311.05560	1.4
325.44342	0.6
341.06644	21.4
375.20264	3.6
417.24875	3.1
435.10193	35.4
435.26059	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	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42868	0.8
59.01386	27.5
60.06506	0.7
61.98826	1.9
62.10878	1.0
71.01379	13.6
73.02950	4.2
83.01382	4.5
85.02953	4.2
87.00866	1.2
89.02441	8.1
92.20026	1.8
95.01402	1.2
101.02442	11.7
113.02444	5.3
118.99279	1.1
119.03476	1.9
121.02934	6.0
123.00886	1.5
124.01631	7.0
125.02443	35.0
137.02507	1.3
149.99580	19.5
151.00339	1.4
168.00636	47.4
169.01456	4.5
213.14990	1.6
255.19662	4.5
273.20694	40.2
309.11084	1.0
375.23016	2.3
408.60983	0.9
417.25232	2.1
435.09415	52.8
435.26154	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	435.2602
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
54.75386	0.6
59.01385	100.0
66.58789	0.5
70.72609	0.6
71.01392	5.5
73.02932	0.9
77.39572	0.5
78.89291	0.5
79.15631	0.5
83.01344	0.6
85.02946	3.2
89.02436	2.4
98.55191	0.5
101.02440	4.5
113.02435	1.3
213.14928	0.7
227.10733	3.2
255.19742	2.3
270.05222	1.1
273.20734	20.7
301.14545	2.6
417.24988	0.8
435.10809	3.6
435.26044	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36103	0.7
53.90458	0.8
55.01891	0.7
56.11968	0.7
56.32505	0.6
59.01387	24.6
60.99676	0.7
61.40844	0.7
61.98830	1.1
62.82983	0.7
66.84011	0.7
71.01383	11.0
73.02943	3.5
75.60413	0.7
78.96897	0.7
79.57947	0.8
83.01366	1.6
85.02937	6.3
87.00901	0.7
89.02435	4.8
91.61477	0.7
95.01361	0.9
101.02451	11.2
113.02457	6.2
125.02509	1.6
133.02953	4.9
177.01895	1.7
199.04004	1.1
205.70868	0.8
220.95923	0.9
240.04207	0.8
255.19704	1.4
270.64865	0.8
271.06079	1.0
273.11176	1.0
273.17920	1.1
273.20746	23.0
285.04224	1.2
290.27951	0.7
309.63809	0.8
359.05701	12.0
373.06995	1.0
391.08191	6.4
403.08612	1.0
417.24814	3.2
435.06427	16.1
435.26044	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	435.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06507	0.8
54.09859	0.8
69.29066	0.8
78.95908	3.8
79.19691	0.9
81.03455	5.5
83.05026	10.9
93.03452	89.1
96.02178	4.0
96.29457	0.9
108.67072	1.0
109.02950	1.5
111.03783	1.8
111.04510	31.8
116.36954	0.9
137.02444	100.0
139.65472	1.1
151.07794	1.1
152.99570	15.1
155.03496	85.8
279.23303	25.9
435.27585	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	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97828	0.9
62.02408	1.0
64.24304	0.9
65.03966	2.0
69.03453	1.8
73.02939	8.9
81.03460	5.4
83.05020	20.5
85.02998	1.2
87.39590	1.1
91.57162	1.0
93.03455	100.0
96.02145	1.9
96.46404	1.2
104.89516	1.0
111.04514	46.4
115.09637	1.2
137.02448	67.2
137.03502	2.4
155.03505	58.4
173.04507	4.7
279.23312	42.8
435.27551	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49169	1.4
58.00614	1.5
59.01378	11.0
61.98834	15.7
71.01383	10.1
73.02947	3.7
79.95774	2.6
85.26035	2.0
89.02443	3.3
92.20030	3.2
99.08156	41.6
101.02422	12.7
109.06574	8.9
111.08121	2.4
111.64523	1.8
113.02445	2.9
119.03469	2.3
119.05013	2.0
121.02983	12.9
121.06552	2.9
127.07647	8.2
129.09222	12.8
130.02974	15.9
134.03757	2.2
134.06145	2.3
137.06018	1.8
139.07681	18.3
143.07141	100.0
143.08266	3.7
148.03984	2.6
148.05171	1.8
149.06059	7.7
156.38332	2.0
157.08696	90.6
161.04396	2.7
163.04004	7.0
167.07146	30.3
175.03989	7.7
180.06720	1.7
185.08189	22.5
187.47357	1.7
197.08183	3.8
206.04485	2.8
215.09258	9.6
217.01338	2.5
233.10332	2.6
245.10263	3.6
274.10843	17.1
287.11331	2.2
305.12463	3.0
316.12344	2.1
342.07074	2.0
376.14252	2.0
436.06824	28.0
436.11331	1.9
436.26782	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	436.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47815	0.4
58.97326	0.4
59.01383	2.0
61.98829	1.0
84.28149	0.4
101.02415	0.5
111.24079	0.4
112.05411	0.5
208.67314	0.4
289.21646	2.1
331.22861	8.8
357.20953	0.7
375.21796	100.0
436.07120	0.8
436.27280	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	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72556	1.7
51.33705	1.9
58.02957	1.8
59.01386	4.3
59.60565	1.9
61.98838	8.0
71.01357	3.1
73.02944	2.3
75.79402	1.9
77.21154	2.2
81.03439	4.8
83.01382	4.2
87.08839	1.9
97.02943	11.9
99.00878	15.8
109.02931	15.1
121.02932	5.2
123.04488	21.4
125.02428	25.6
135.04526	2.3
137.02431	10.0
139.04030	3.9
149.02431	12.5
150.03186	4.0
151.04004	14.5
153.05562	3.5
161.02412	13.5
163.00375	17.5
164.01176	4.1
165.01930	5.1
165.05595	3.8
167.03477	66.2
177.01924	12.7
179.03589	7.1
187.03938	2.4
188.04706	2.5
200.07094	4.2
203.07173	15.6
205.01340	9.6
205.05119	17.3
206.02220	11.8
207.02991	9.2
221.08118	3.5
245.08232	22.9
247.06093	15.7
261.07697	2.1
271.10138	2.2
289.07159	51.6
303.09839	21.6
308.60818	2.5
317.06650	19.3
329.06619	8.8
347.07739	100.0
359.07520	3.9
401.08829	3.4
419.10104	3.3
437.10583	83.1
437.15100	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84591	1.1
72.37064	1.3
85.12518	1.3
87.04512	33.4
100.56024	1.3
113.02429	3.1
125.02419	6.9
131.03502	100.0
151.79242	1.2
157.13300	1.4
198.73836	1.3
224.77940	1.3
288.68604	1.7
305.06744	8.6
380.69501	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	437.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
59.80818	0.9
61.23725	1.0
78.95910	32.1
83.01379	1.5
83.87492	1.0
89.02405	1.5
92.20020	1.4
96.96001	61.6
96.96953	100.0
97.02940	2.1
99.00874	5.1
99.04562	1.3
109.02943	7.1
121.02916	1.5
123.04485	9.7
125.02416	4.6
135.04472	1.7
137.02452	1.2
139.03998	2.2
141.25671	1.3
145.02954	6.0
149.02432	1.9
151.04012	2.8
161.02393	4.9
163.00356	6.8
163.03986	4.8
165.01941	4.1
167.03510	17.6
176.52554	1.1
177.01874	1.6
179.03487	5.4
187.04062	1.6
203.07092	5.2
205.01381	2.5
205.04997	6.2
206.02255	2.3
207.03065	1.5
229.05003	1.2
245.08224	5.6
247.06026	5.8
258.84280	1.0
289.04477	1.5
289.07263	18.8
317.06622	6.7
329.06705	4.2
339.10861	7.5
347.07758	45.0
359.07974	2.2
437.10696	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	437.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36948	2.6
51.59783	2.5
54.87269	2.9
58.59270	3.0
59.01380	6.1
62.63467	3.9
71.01383	5.0
83.01371	6.1
84.86411	3.5
95.05029	3.6
99.00867	15.5
101.02471	6.2
103.17559	3.7
108.22316	3.2
109.02962	30.2
113.02422	5.8
113.48387	3.3
123.04504	21.5
125.02467	34.3
137.02434	18.4
139.04042	7.6
147.01749	4.3
147.04564	4.4
149.02414	13.6
151.03987	19.9
161.02443	6.2
161.06131	3.5
163.00378	13.3
163.07605	5.7
164.01199	4.2
165.01979	6.6
167.03484	46.8
177.01891	13.5
179.03473	15.5
187.04007	4.9
193.46254	3.2
203.07140	24.0
205.01326	5.9
205.05161	13.4
206.02209	5.9
220.09195	3.7
231.06686	6.0
245.08316	28.2
247.06172	6.0
275.05481	4.6
289.07227	60.5
317.06522	18.1
347.07733	100.0
359.07785	8.1
437.10934	81.5
437.20456	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20498	2.1
54.83482	2.3
57.82687	2.2
59.01372	11.4
83.01387	3.3
89.48718	2.7
97.02953	4.8
99.00881	10.2
104.13669	3.0
109.02962	20.9
115.75200	2.6
121.02947	4.2
123.04503	15.5
125.02417	20.3
125.06060	3.2
137.02425	10.5
138.03383	2.7
139.04007	12.7
149.02415	14.4
151.03981	12.0
153.02058	2.7
153.05547	3.3
161.02434	12.1
163.00388	14.3
163.04018	3.6
165.01921	15.6
167.03476	55.7
167.07082	16.6
177.01941	6.6
179.03491	12.3
181.05226	2.7
200.73866	2.9
203.07159	13.7
205.01505	4.6
205.05048	17.0
206.02162	12.1
207.02994	3.6
245.08141	25.0
247.06142	14.6
257.04443	6.7
282.01749	3.8
289.07153	51.1
317.06537	16.3
329.06702	4.3
347.07742	100.0
359.07870	4.1
398.99017	3.1
437.10956	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2186
Annotation	CHEBI:67657
Peak:m/z	Relative Intensity
59.01387	100.0
62.06934	0.9
71.01373	1.7
73.02929	1.2
85.02937	5.5
89.76392	0.9
104.86366	1.0
111.83971	1.2
113.06100	1.1
117.90223	1.0
133.58934	1.2
167.07213	7.5
245.00833	1.3
249.14952	4.7
251.12808	1.6
255.13916	4.3
273.14993	19.4
301.94684	1.0
341.17581	5.3
359.18729	16.2
377.19748	75.9
437.09357	2.0
437.22226	10.7
463.36169	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	437.2547
Annotation	3-[4,8-Bis[(acetyloxy)methyl]-13-hydroxy-12-methyl-11-tridecenyl]-2(5H)-furanone
Peak:m/z	Relative Intensity
55.78873	0.5
57.03456	0.7
59.01105	0.7
59.01385	16.5
60.04952	0.3
63.77488	0.3
70.77317	0.4
77.85338	0.5
81.03458	5.3
83.01363	0.6
83.05042	0.4
84.85278	0.4
88.95222	0.5
107.56870	0.5
125.02433	13.4
136.81625	0.4
151.00314	1.4
160.89246	0.7
173.02005	0.4
238.29970	0.4
307.22617	0.6
309.24380	1.9
310.43484	0.4
311.22577	0.5
333.24353	3.4
351.25381	8.9
353.23364	2.1
365.13849	0.5
377.23306	10.5
393.26569	1.5
395.24506	3.6
419.24829	0.5
437.25467	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	437.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35541	0.7
57.03450	1.6
59.01378	1.0
64.38018	0.8
72.73523	0.9
73.47290	0.8
77.54836	0.7
78.45227	0.7
81.03460	7.9
83.01418	1.3
83.05024	1.0
92.20134	1.6
123.04513	14.7
125.02441	44.5
127.11236	1.2
136.91803	0.8
151.00371	1.4
157.12350	1.1
167.03491	38.4
235.13423	6.6
327.16028	1.3
358.57553	0.9
393.26443	1.2
419.24487	1.4
437.25461	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	437.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65583	0.5
54.30539	0.4
56.75115	0.5
57.03452	4.5
59.85007	0.4
67.73990	0.5
81.03463	0.7
83.01375	4.2
98.68663	0.5
104.46845	0.6
105.84419	0.5
123.04546	3.9
125.02434	100.0
130.56129	0.4
149.02438	1.3
157.32127	0.5
167.03471	12.5
269.21204	0.6
285.48727	0.6
311.22174	2.2
386.49936	0.5
402.25098	0.6
419.24728	1.0
437.25461	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	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36440	2.3
55.13797	2.4
60.75612	2.3
65.73875	2.3
69.64332	2.9
72.96357	2.7
81.29455	3.0
83.05032	10.4
83.19521	2.9
83.23582	2.8
93.03453	100.0
99.85531	2.9
109.02930	2.7
111.04507	57.4
111.99891	2.8
137.02449	49.5
152.99625	5.0
154.99989	3.1
155.03481	84.3
155.29854	2.8
220.82153	2.6
281.24893	4.8
294.47412	3.0
336.49518	2.7
442.20233	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	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.58768	0.5
76.03478	0.5
103.52786	0.6
114.25620	0.6
117.50610	0.5
118.07114	0.5
152.99626	0.6
153.70786	0.5
200.47038	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	437.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02997	1.1
59.01384	100.0
77.44994	1.0
78.95901	1.9
82.52226	1.1
98.25317	1.1
109.71476	1.0
116.93179	1.0
152.99588	4.3
154.99945	1.3
177.06306	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	437.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32214	0.8
65.03950	1.6
66.67503	1.0
81.03448	4.3
83.05010	12.9
93.03448	89.1
96.02175	1.0
111.04501	32.1
137.02440	100.0
155.03497	85.3
206.77698	1.1
281.24854	38.7
437.24142	1.4
437.29202	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78071	0.5
61.75664	0.4
61.98837	100.0
62.86679	0.5
64.36565	0.5
89.51469	0.6
92.19444	1.5
128.62495	0.6
156.48325	0.6
196.31889	0.6
344.53946	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	439.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02317	0.4
71.19761	0.4
77.86147	0.4
78.95898	2.4
81.70800	0.5
93.02198	0.5
96.95998	21.7
96.96917	3.8
97.82140	0.4
100.18835	0.4
132.50357	0.5
133.02959	2.9
135.04514	12.1
161.02435	100.0
161.04584	3.4
179.03508	8.6
179.05605	6.6
220.48647	0.5
280.19095	0.5
341.08783	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	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58014	0.4
72.90939	0.3
78.95907	30.4
83.93541	0.3
96.96042	13.2
96.96957	100.0
99.89924	0.4
103.83588	0.3
121.32875	0.3
138.06461	0.3
138.36742	0.3
138.44365	0.4
154.16806	0.3
266.38013	0.3
282.58218	0.4
284.94382	0.4
291.66321	0.3
351.18146	0.4
439.08627	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	439.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06366	1.0
52.94431	1.0
57.03442	0.9
59.01380	26.6
71.01378	11.7
72.01700	1.0
81.03435	1.7
83.01376	2.0
89.02435	21.7
93.03464	8.0
95.05034	1.2
97.02933	7.1
97.83234	1.2
101.02444	11.3
109.02943	27.6
113.02417	10.0
119.03506	11.1
121.02944	1.4
123.04516	14.7
125.02440	18.7
135.04483	2.3
137.02472	16.5
139.04019	9.6
147.06624	12.6
149.02466	10.9
151.04002	16.9
159.04488	2.5
159.06697	1.2
159.52196	1.1
161.02393	2.2
161.06067	6.3
163.04091	1.4
164.01118	2.5
165.01910	7.6
167.03539	1.5
175.03996	4.7
175.07635	2.0
177.01978	2.6
178.02766	1.4
179.03453	10.2
187.04025	8.0
188.04860	8.3
191.03528	2.2
202.06326	1.4
203.07173	24.2
205.05069	18.1
213.05605	2.2
215.07144	11.1
217.08577	1.6
221.08101	6.0
227.07150	4.9
230.05725	1.7
243.06561	5.2
245.08176	27.8
247.28767	1.3
257.08139	1.4
271.06198	1.6
289.07193	100.0
301.07159	14.8
309.11926	56.4
327.05090	1.6
345.06015	2.0
354.75446	1.2
360.76157	1.1
365.79004	1.2
395.11322	18.8
421.09097	6.2
439.10678	19.2
439.18066	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	439.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80856	0.8
57.03465	1.1
59.01373	4.0
60.51469	1.0
62.25660	0.8
63.74884	0.8
71.01357	1.2
81.03459	1.3
83.01402	2.1
84.98363	0.9
89.02441	1.5
90.07332	1.1
93.03456	7.1
94.98079	5.4
95.01339	1.3
95.05042	3.5
97.02936	6.2
101.02427	3.7
109.02950	31.7
111.29575	0.8
113.02438	1.7
121.02918	1.7
123.04523	13.1
125.02419	18.8
135.04533	1.7
137.02467	16.8
137.21231	1.0
139.03958	6.6
145.02977	1.0
146.03729	1.4
147.04497	1.7
149.02451	12.7
151.03978	15.5
159.04587	1.8
161.02440	4.6
161.06075	4.9
162.03194	1.8
163.04115	1.4
164.01157	4.1
165.01945	8.2
167.03503	2.2
175.03966	1.7
175.07597	1.0
177.01822	1.0
179.03479	10.8
187.03998	6.7
188.04811	4.5
189.05577	1.3
191.03508	2.2
202.06447	1.6
203.07169	23.1
205.05072	17.6
213.05551	1.4
215.07193	11.2
221.08226	4.7
227.07216	2.2
243.06589	6.0
245.08188	24.1
257.08331	1.0
270.91766	1.1
271.06149	1.4
273.56317	1.0
289.07184	100.0
301.07123	15.8
321.15533	3.4
327.04980	1.4
345.05994	1.1
390.21622	1.0
395.11362	22.0
420.12778	1.2
421.09320	2.2
439.10397	14.7
439.17053	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	439.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63535	0.9
54.21759	1.0
55.87311	1.0
59.01382	1.3
60.93692	1.1
81.03473	2.4
94.62509	1.4
95.05009	5.1
97.02936	2.4
109.02949	28.5
113.79945	1.4
116.14677	1.1
121.02966	2.4
122.03699	1.7
123.04521	16.4
125.02437	27.8
128.66571	1.2
134.84431	1.2
135.04497	5.3
137.02475	18.6
139.04010	5.9
149.02432	27.2
151.03998	12.4
159.04509	1.4
161.02396	8.4
161.06075	5.0
163.00354	7.7
163.03999	1.6
164.01138	5.7
165.01930	9.4
167.03511	31.7
175.03975	5.5
177.01961	8.7
178.02644	1.2
179.03488	15.5
187.03976	5.3
188.04774	7.2
191.03517	1.3
201.05577	1.1
202.06334	2.6
203.07155	20.9
205.01370	2.6
205.05069	15.5
206.02264	8.6
207.03000	5.4
212.04883	1.4
215.07207	2.3
221.08188	5.5
227.07115	2.4
245.08221	32.0
247.06192	1.4
287.05710	2.2
289.07202	100.0
293.06793	1.3
329.06702	24.9
421.09320	1.6
439.10495	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28992	0.5
51.20021	0.6
52.89447	0.6
56.97998	0.5
72.71956	0.7
92.19999	0.9
109.02945	0.7
119.64091	0.6
123.04510	1.1
124.01642	6.9
125.02415	0.9
133.02954	3.0
137.02454	7.0
139.04037	9.7
152.01149	9.3
164.01151	11.3
165.01939	7.4
167.03496	100.0
185.06021	1.2
203.07164	1.4
228.04416	0.9
229.04955	0.9
253.05075	6.4
271.02579	2.8
271.06140	15.4
421.09137	2.8
439.05414	1.0
439.10623	28.2
464.50580	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	439.1403
Annotation	Pharacine
Peak:m/z	Relative Intensity
59.01383	1.7
60.22765	1.1
60.28908	1.0
83.01385	6.2
92.19390	2.1
94.00275	1.1
106.33330	1.2
111.00874	100.0
153.97528	1.1
155.28284	1.1
172.05278	1.0
173.06078	6.9
187.07617	10.3
191.07124	6.6
203.07144	14.6
205.08730	23.0
219.06581	5.6
231.06667	1.5
233.08147	1.5
287.14502	2.5
290.13168	2.1
291.10135	1.7
305.11743	9.5
305.15475	6.2
306.12671	2.3
323.16757	1.3
334.11966	1.7
345.51160	1.2
349.14441	10.3
367.15543	32.2
390.77750	1.2
395.14951	11.7
439.06229	1.4
439.07257	1.6
439.13889	20.1
446.15033	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	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14357	0.7
57.83809	0.7
59.01383	44.3
65.40913	0.8
71.01378	19.9
85.02958	1.8
87.00858	0.8
89.02441	38.9
95.01338	1.2
98.83641	0.9
99.00854	1.0
101.01810	1.2
101.02441	21.4
113.02445	12.4
119.03488	19.9
125.02441	1.0
137.47253	0.9
149.04454	0.8
289.07193	4.6
307.13867	1.1
309.11942	100.0
395.11353	1.0
406.18573	0.8
422.12012	0.9
439.10052	1.2
439.18686	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	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	61.3
59.46664	1.9
62.30991	2.0
71.01380	47.5
73.02946	13.5
83.01399	3.6
85.02930	15.6
86.25687	1.9
87.00881	3.5
87.04515	2.9
89.02438	61.3
92.19475	6.2
93.03468	2.6
95.62359	2.0
97.02946	3.6
99.08153	49.6
101.02440	38.7
109.06545	3.9
111.00855	2.4
113.02439	22.8
115.03952	3.1
119.03507	26.6
125.02457	2.8
127.07660	8.2
129.05600	2.7
129.09174	3.4
133.05051	12.0
137.06090	3.3
139.07649	11.2
143.07138	99.9
145.05055	2.6
149.36641	2.3
151.06129	47.2
157.08678	63.7
161.04509	4.3
167.07126	12.4
173.04565	3.2
175.06081	13.6
177.05594	2.3
179.05698	2.4
185.08144	18.0
199.04156	9.7
203.03548	4.7
217.05223	30.1
277.79102	2.1
295.10339	100.0
295.13654	4.1
313.11469	39.5
439.10596	68.4
439.18204	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1977
Annotation	Garajonone
Peak:m/z	Relative Intensity
52.51984	0.7
56.51303	0.7
59.01384	17.7
62.17490	0.7
65.81887	0.6
71.01371	8.7
73.02939	1.2
80.71822	0.6
85.02959	1.5
88.69478	0.8
89.02444	10.2
90.32583	0.7
93.03465	0.9
95.01391	1.1
97.06575	3.5
101.02445	10.7
111.36746	0.9
113.02452	4.3
119.03507	4.2
123.04523	1.3
125.02473	6.6
126.20063	0.8
137.02441	1.2
139.04033	0.9
151.03899	0.9
161.06059	3.1
165.01959	1.1
167.03549	0.9
175.03967	3.5
175.07614	1.1
177.05591	0.8
179.03384	0.8
179.05688	1.0
186.06848	4.7
187.07681	1.9
189.05684	1.6
203.07181	3.4
204.07942	8.7
215.10878	1.4
248.10704	5.3
249.14987	3.0
259.13412	4.0
277.14441	20.2
305.06726	4.0
403.14093	6.1
410.15836	12.2
421.18378	0.9
439.11017	9.7
439.19791	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	439.2705
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
54.78091	0.9
81.03484	7.9
122.03714	1.4
125.02422	10.4
151.00218	1.4
329.64755	1.1
353.27139	2.2
355.24854	2.2
395.28094	12.2
421.24994	1.1
439.27060	100.0
462.30099	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	439.2704
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
54.76867	0.4
57.03441	3.0
57.03692	0.4
57.26839	0.4
59.01379	1.0
62.13662	0.4
66.75988	0.4
80.41239	0.4
81.03458	7.0
83.01390	1.0
83.04980	0.6
91.17365	0.4
95.05051	0.4
109.06584	0.6
125.02435	29.7
151.00339	0.6
157.12349	3.2
167.55115	0.5
169.12323	0.5
187.13365	3.1
207.13805	0.5
229.49539	0.4
235.13440	1.9
263.23676	0.5
265.14359	0.7
313.23904	2.4
325.14383	0.9
353.26944	1.0
393.26498	0.7
395.09546	2.1
395.27930	3.1
397.25937	0.6
439.08282	2.0
439.27045	100.0
446.35550	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	439.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.1
71.01388	11.6
73.02966	6.7
98.11935	4.4
101.02438	8.6
113.02461	11.3
126.21663	5.2
138.89349	4.4
161.04378	4.7
270.30984	5.0
273.22214	8.5
277.21732	100.0
291.23340	32.6
301.21771	6.4
319.22824	22.5
324.90869	5.2
331.23041	5.3
421.09921	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	439.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.59446	1.1
63.94190	1.0
78.13651	1.1
99.59651	1.3
109.96503	1.3
179.18503	1.4
193.65440	1.1
223.98488	1.2
307.11737	1.2
399.75659	1.2
439.48611	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	439.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24105	2.0
57.27181	1.8
59.01386	100.0
78.76959	1.9
137.03259	2.1
148.84436	1.7
175.47186	2.0
242.27341	2.3
288.63531	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	439.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86832	1.0
59.01383	100.0
76.54585	1.2
118.12189	1.1
171.36560	1.2
203.43678	1.4
210.18103	1.2
211.78326	1.2
292.43579	1.3
298.37427	1.3
346.90530	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	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01101	1.7
59.01384	31.0
61.74236	1.4
69.63064	1.3
71.01388	15.1
76.86308	1.5
77.03426	1.5
85.02962	2.2
89.02450	12.5
92.19508	2.1
98.90454	1.4
101.02444	9.8
113.02414	6.4
113.09727	3.2
114.09239	22.4
115.06862	2.4
115.07638	44.4
118.06629	6.2
119.05026	39.0
119.87628	1.6
125.02456	2.9
144.04532	9.4
162.05531	10.1
204.13919	2.5
216.13925	6.7
232.13245	1.7
260.12976	12.7
278.13950	3.1
293.95862	1.4
422.98950	1.7
440.19287	100.0
454.85251	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	440.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95440	1.1
56.50106	1.1
59.01382	100.0
60.01715	7.2
64.54867	1.4
78.11290	1.3
106.71136	1.5
145.19875	1.6
250.33406	1.3
289.39554	1.4
320.17740	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	441.018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	59.5
59.01686	1.9
68.26492	0.8
78.79168	0.8
101.39246	0.7
157.03625	1.2
171.48538	0.8
174.99257	29.8
201.00885	1.2
201.02554	36.3
217.00301	100.0
261.00488	0.8
343.03604	3.7
359.01511	69.3
403.26566	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	441.0829
Annotation	Catechin 3'-O-gallate
Peak:m/z	Relative Intensity
50.58434	1.3
56.83351	1.3
57.03447	2.6
58.20614	1.5
58.51883	1.5
59.01381	1.6
71.01371	6.0
83.01382	2.9
84.13905	1.5
87.79702	1.4
109.02941	8.4
111.04504	6.8
119.05036	27.6
124.01667	1.6
125.02449	69.2
137.02451	57.0
139.04033	12.4
149.02432	3.5
151.04030	14.1
161.02452	1.7
162.47261	1.6
163.04022	59.7
165.01939	2.4
167.03494	13.5
175.04033	17.8
177.01953	57.5
179.03432	2.4
187.04022	10.8
193.05092	2.0
201.05495	2.2
203.03598	2.9
204.04402	1.6
205.05099	2.0
215.03484	7.2
217.05052	2.7
219.02956	2.0
228.04396	2.0
229.05154	11.4
231.02913	2.2
243.02924	10.8
255.03008	32.7
256.03763	17.7
257.04559	5.9
269.04471	6.0
273.04147	13.6
282.01794	1.7
283.02545	14.7
285.04074	2.7
297.04099	9.2
300.56314	1.6
303.05121	3.7
315.05197	7.8
325.09241	2.0
355.08292	3.8
423.07263	100.0
441.08350	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	441.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60743	0.3
59.01377	2.8
71.01384	7.2
73.47255	0.5
79.66283	0.4
89.02451	3.7
99.08154	0.7
101.02438	1.7
113.02443	1.6
115.00360	6.0
119.05016	52.8
125.02428	2.5
134.28735	0.5
145.08730	4.8
151.06085	1.0
163.04012	100.0
169.08719	0.6
172.16208	0.4
177.01894	0.6
295.10364	0.5
313.11496	5.4
325.09293	24.2
423.07336	3.3
441.10605	5.4
458.02499	0.5
467.86929	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	441.1343
Annotation	Bequinostatin D
Peak:m/z	Relative Intensity
54.21481	1.2
55.32162	1.0
59.01386	16.9
68.01432	1.1
81.29263	1.0
83.89690	1.0
93.03442	2.2
96.95942	1.2
137.02483	1.3
147.04518	23.3
153.67212	0.9
155.03564	1.5
164.75636	0.9
187.03917	2.2
199.27705	1.2
219.08052	1.3
229.16771	1.0
235.07571	1.8
247.07576	1.4
275.07098	15.1
365.11865	6.9
376.11084	1.4
377.11823	5.7
381.11026	1.4
383.12894	16.4
393.11398	22.8
395.12881	7.2
405.11389	27.0
411.12399	100.0
423.12424	84.9
441.13339	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	441.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97136	1.1
59.01385	64.9
71.01381	33.2
72.99335	1.0
73.02953	2.7
85.02943	5.2
87.00871	1.7
87.98201	1.4
89.02438	50.2
95.01382	1.2
99.04545	1.2
101.02442	37.3
113.02445	31.5
117.05584	13.2
119.03498	23.8
119.04994	2.6
125.02472	2.5
127.04044	2.2
131.07109	2.2
137.02484	1.2
141.34953	1.0
145.05099	6.1
163.04016	5.8
258.97028	1.2
293.12564	1.3
295.10333	2.5
297.11938	6.5
323.13480	100.0
351.47815	1.2
410.78717	1.2
423.07281	2.3
441.16287	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.4
59.01386	54.2
66.82262	1.4
71.01381	24.2
72.09386	1.6
85.02945	3.5
89.02448	32.2
96.41532	1.7
101.02423	19.9
108.02164	12.4
109.02962	13.2
113.02423	10.0
113.03114	1.5
119.03484	7.6
137.06082	3.2
139.07655	7.1
152.01169	18.6
153.01900	9.9
153.05621	1.5
205.12349	3.5
217.12251	2.9
304.44955	1.5
330.13132	7.6
331.13907	1.6
397.18521	2.6
400.30484	1.7
441.18100	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	441.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94580	1.7
57.03448	2.2
59.01379	11.6
65.42416	1.7
70.03000	1.7
71.01360	3.7
82.19167	2.0
83.05015	2.1
89.02450	4.4
90.60162	1.8
97.02930	3.7
101.02431	4.8
107.04988	2.9
113.02427	3.4
119.05002	16.4
121.06577	2.2
123.04506	4.0
125.06049	3.2
130.03317	2.9
136.05275	4.0
146.08241	33.1
151.04002	9.8
151.07649	59.0
151.11264	4.0
168.07932	14.2
169.08714	4.2
173.09692	3.6
184.08957	4.3
187.11322	4.1
189.12845	8.8
199.11281	12.0
201.86627	2.0
202.10046	3.9
205.12369	27.1
215.10667	3.2
217.12280	43.1
235.13408	7.9
261.11179	2.2
277.12292	32.3
279.12393	100.0
358.95053	2.3
441.17432	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	441.1768
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.91001	0.6
56.14552	0.5
57.03444	1.6
59.01107	1.0
59.01385	23.5
70.24710	0.6
71.01384	12.5
71.24414	0.6
81.86996	0.6
83.01400	0.6
83.05021	1.2
85.02938	2.8
89.02448	15.2
99.04485	1.0
101.02454	9.1
102.74466	0.7
113.02476	7.0
119.03501	4.6
121.06618	1.5
123.08134	0.9
125.06043	1.2
136.05309	0.8
138.58365	0.7
139.07614	1.3
141.20193	0.6
143.03484	0.8
147.11778	3.5
151.07631	13.9
151.11258	1.1
153.05588	1.5
167.07100	1.3
171.11758	0.8
172.15337	0.7
173.09694	0.8
175.11302	2.4
179.05589	3.0
179.07137	3.8
180.08012	0.8
184.09004	5.4
187.11229	3.4
189.12889	8.5
199.11331	6.2
201.09193	1.4
202.09961	6.0
205.12354	1.0
215.10753	3.2
217.12325	28.8
235.13412	8.1
324.62857	0.8
441.17676	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	441.1769
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.07126	3.6
59.01384	71.4
64.74854	3.5
66.71188	3.6
71.01385	38.5
73.02968	4.7
85.02937	9.1
89.02442	41.6
92.49014	4.0
101.02442	24.6
104.38271	3.7
106.01067	3.9
106.92251	4.0
109.02950	5.6
113.02444	19.3
115.09773	3.9
117.70682	4.0
119.03503	8.6
121.02963	5.0
133.06592	8.2
153.01988	5.5
159.08218	4.2
177.02122	4.9
221.74564	4.0
312.87485	4.5
330.13281	7.2
331.14108	6.2
341.34698	4.2
363.18164	65.0
381.19208	8.1
441.17661	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	441.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78913	0.5
56.71838	0.5
59.01376	3.5
81.03463	7.2
83.01395	1.4
89.44392	0.7
95.05014	6.3
97.02963	3.3
99.04545	2.8
102.36285	0.6
111.04508	1.2
111.45152	0.6
123.04529	6.0
125.01564	1.0
125.02441	19.5
129.00203	0.7
137.02437	1.5
139.04005	0.8
155.03464	1.0
155.15909	0.7
167.03488	41.1
171.13908	0.9
180.26418	0.7
193.15990	1.4
195.13861	5.2
197.04517	3.6
211.16992	1.1
235.17006	9.0
237.14972	3.5
249.18533	11.8
253.18173	1.3
277.18127	5.6
279.16003	26.6
291.16019	8.3
293.17490	1.0
303.15860	0.6
305.17703	1.2
318.14661	1.1
321.17078	100.0
333.16989	3.8
345.37851	0.7
351.18091	19.7
363.17728	0.8
423.20190	2.8
441.21341	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	441.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
57.58898	0.8
57.81222	0.8
59.01385	72.5
60.52641	0.9
61.07249	0.8
71.01384	2.2
78.66686	1.0
82.52940	1.0
85.02941	2.1
90.12168	0.9
101.02446	1.7
107.58677	0.9
113.02367	1.0
123.83105	1.0
134.17703	0.9
135.08179	1.4
160.08885	4.0
161.04579	4.3
177.12842	5.5
181.08667	0.9
189.12880	19.8
193.31326	1.1
197.27104	1.0
201.12799	7.7
204.11440	1.7
219.13904	100.0
233.11813	4.7
259.44318	1.0
288.90607	1.1
296.55518	1.0
332.75839	1.0
441.21466	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	441.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87334	1.3
50.87609	0.9
53.28897	1.0
57.03450	2.3
59.01385	89.2
60.67934	1.1
67.61062	1.0
71.01373	2.3
75.56374	1.0
88.34904	1.1
100.81139	1.2
113.02448	1.7
160.08942	5.1
161.04572	2.2
161.09709	1.8
161.36681	1.0
177.12776	1.9
189.12842	16.6
201.12846	7.8
204.11568	2.6
206.37903	1.2
218.13338	1.4
219.13904	100.0
259.93533	1.2
293.26764	1.3
310.34491	1.2
327.65482	1.1
385.59641	1.3
441.21133	6.6
464.60226	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	441.2132
Annotation	Jatamanvaltrate G
Peak:m/z	Relative Intensity
53.60496	5.3
59.01385	100.0
86.88207	7.1
95.53725	5.8
111.04566	6.5
127.20531	5.2
140.28230	6.0
165.72859	5.3
269.11823	8.7
305.14096	5.7
383.17032	40.8
397.09000	7.5
441.21298	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59600	0.8
59.01385	100.0
59.26538	1.0
64.37709	0.9
78.46806	0.9
88.71568	1.0
92.19315	1.6
101.17873	1.0
132.87071	1.0
150.58858	0.9
289.18051	2.0
307.19110	4.4
321.16934	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.04567	1.2
74.29802	1.5
82.28524	1.2
92.19370	3.0
148.65860	1.4
194.54874	1.3
209.43007	1.3
289.18222	3.1
307.19113	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	441.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
73.97770	0.9
75.05216	0.9
112.23869	1.1
125.72842	0.9
191.72966	1.1
341.41339	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	441.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
66.06999	1.7
73.11610	1.9
77.47382	1.7
79.89350	1.9
95.44817	2.0
97.06573	12.1
123.08195	3.2
125.09714	100.0
127.95553	2.0
148.86479	1.8
163.87784	1.8
187.09746	25.7
200.84299	2.5
237.22203	2.2
263.33093	1.8
271.22812	36.3
316.08640	2.0
441.25964	4.5
441.32208	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	11.8
64.82848	2.4
83.01385	4.6
96.49267	3.0
96.95990	3.7
109.02944	58.5
121.02920	4.7
123.04504	38.0
147.04539	5.5
149.02446	22.7
151.04019	36.2
159.04585	4.5
161.06065	12.8
162.02885	2.9
163.04018	69.8
170.60924	2.7
175.03984	31.8
177.05577	3.5
187.03934	3.5
189.05563	3.2
191.03522	48.0
202.02754	3.7
203.03516	63.3
203.07166	3.5
205.05090	24.7
217.05045	11.7
219.03044	3.4
231.02968	18.0
232.03691	5.3
233.04634	4.9
245.04585	4.7
247.06201	5.2
287.09161	3.7
327.08725	15.1
355.08228	100.0
381.06223	6.4
383.20587	11.6
399.07217	18.4
415.64865	2.9
443.06134	85.9
443.11484	3.6
443.22586	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	443.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94186	0.3
54.40614	0.3
59.01403	0.4
63.99813	0.3
64.76323	0.4
71.64050	0.3
74.43106	0.3
78.95222	0.4
78.95908	31.1
96.96054	10.0
96.96959	100.0
114.97969	0.4
126.50246	0.4
135.04535	0.5
232.79028	0.4
256.56631	0.4
263.09320	0.6
443.09747	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	443.1502
Annotation	Fluticasone
Peak:m/z	Relative Intensity
51.18202	0.4
54.70044	0.4
59.01396	0.4
69.03459	1.1
71.01368	1.0
85.02945	1.0
93.03452	2.8
111.05900	0.5
118.45740	0.5
121.02952	18.0
137.02440	0.7
147.04520	0.7
147.36932	0.4
171.10257	2.8
192.54732	0.6
195.28409	0.5
211.13379	0.6
229.14445	0.8
251.06964	1.6
252.07904	5.6
265.08667	3.0
267.06635	5.8
277.08728	0.7
284.06943	0.8
289.08719	0.7
302.29443	0.5
321.11505	2.4
327.21725	7.1
337.12460	0.6
354.12424	4.4
365.11819	0.6
382.12137	4.9
383.12891	16.7
413.14096	2.5
425.13947	0.6
443.15024	100.0
448.60999	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21909	0.3
55.01887	1.3
59.01395	0.5
59.85436	0.3
62.54790	0.3
66.26260	0.3
71.01367	0.5
73.02946	6.8
99.00877	36.9
104.10325	0.3
113.02512	0.5
117.01930	47.0
119.05046	0.5
122.03696	1.2
123.04520	7.9
125.02455	0.4
153.05571	12.8
161.03674	0.4
163.07689	1.7
167.03508	0.6
181.08705	100.0
194.85838	0.3
236.73653	0.3
263.09268	2.5
281.10281	47.3
331.31375	0.4
343.13931	1.6
404.09586	0.3
443.15585	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
60.39931	0.8
65.85721	0.7
67.69659	0.9
71.01369	0.9
85.02956	0.9
85.39927	0.8
89.02435	0.8
92.93098	0.8
99.08186	1.5
101.02451	0.8
108.02179	23.9
109.02949	76.0
121.47865	0.8
123.04494	1.0
125.02454	1.7
131.64185	0.8
135.04547	4.4
145.04259	0.8
145.08705	4.1
146.86395	0.9
147.06491	0.9
151.04001	1.7
152.01154	35.3
153.01935	86.2
195.02983	1.5
227.88513	0.9
244.73656	0.8
245.22469	0.9
259.12027	0.8
297.06073	1.1
443.15567	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	443.1561
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
51.74942	0.7
55.01879	1.1
61.50572	0.5
73.02936	6.5
99.00879	39.1
117.01932	45.3
181.08710	100.0
195.13374	0.6
204.54166	0.6
206.92274	0.7
218.08611	0.7
228.62108	0.6
263.09274	3.1
281.10318	42.3
292.09814	0.7
341.62534	0.7
366.72870	0.8
375.94931	0.8
380.22607	0.8
443.15594	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1716
Annotation	Cedashnine
Peak:m/z	Relative Intensity
54.62641	0.5
64.62993	0.5
69.69810	0.6
82.19463	0.5
88.92892	0.7
107.48401	0.6
121.02941	0.8
149.52728	0.6
204.45284	0.6
313.18018	0.8
313.68118	0.6
327.16025	2.8
329.17618	73.7
355.19177	100.0
399.18130	15.7
443.17166	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	443.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
59.01379	21.0
61.51628	1.3
70.43445	1.6
71.01380	13.6
71.97459	1.4
78.95905	25.8
85.02959	8.2
89.02436	28.4
89.04765	1.4
93.06638	1.4
95.39483	1.5
96.96025	17.7
96.96959	82.8
101.02441	19.9
103.04015	100.0
104.26977	1.5
113.02453	8.4
119.03513	12.3
147.06639	46.5
151.06113	10.3
161.55690	1.5
163.02184	1.6
171.48975	1.5
191.03508	2.2
191.05522	2.3
237.12485	12.4
278.90994	1.7
313.11380	60.8
350.32358	1.6
399.14914	2.5
443.09286	1.8
443.16895	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	443.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01627	1.3
57.03445	1.2
57.89070	1.4
59.01379	22.5
70.61736	1.4
71.01380	42.0
71.05003	1.5
73.02941	15.0
78.95931	2.0
83.01372	2.6
83.19145	1.3
85.02950	11.4
89.02431	14.9
96.07817	1.3
96.96951	6.6
99.00871	2.1
101.02438	43.5
102.61067	1.4
113.02438	27.2
117.05570	18.7
119.03500	1.9
125.02402	2.6
133.81812	1.3
143.03439	1.7
147.06516	2.2
159.02977	5.7
161.04544	33.0
163.04001	2.4
191.03500	20.7
251.11397	47.0
295.78812	1.5
331.84543	1.4
383.15598	100.0
443.11627	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	443.1844
Annotation	Catuabine F
Peak:m/z	Relative Intensity
58.72452	4.5
59.01384	54.4
62.34759	4.3
71.01397	7.1
77.65253	5.0
86.69685	4.7
88.63541	4.7
89.02384	5.4
107.72306	4.9
123.35658	5.0
443.18430	100.0
443.23773	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	443.1928
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
59.01113	1.6
59.01389	35.8
59.58939	1.1
62.54467	1.1
63.85751	1.2
71.01385	16.1
73.02947	6.1
85.02954	11.7
89.02441	14.7
92.19471	2.3
95.01408	1.6
101.02441	17.7
113.02436	10.7
119.03507	2.3
123.04488	1.6
151.03990	1.7
161.18770	1.2
163.03998	2.5
177.72772	1.2
191.03587	1.3
203.03433	2.6
227.18793	1.4
233.04709	1.4
267.64276	1.6
322.60013	1.3
355.08377	5.8
381.05963	1.4
383.20819	5.5
399.07071	1.6
443.06320	6.7
443.19284	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	443.1929
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.07151	0.9
59.01385	66.6
63.96939	1.3
71.01383	42.1
72.99310	1.1
73.02948	12.2
73.20885	1.1
83.01389	1.9
85.02935	6.7
89.02446	68.8
91.15102	1.0
92.19488	1.6
95.01403	1.6
97.29067	1.1
99.00874	18.7
101.02446	30.7
103.10720	1.0
113.02452	16.9
118.30471	1.1
119.03481	10.3
125.02465	1.6
129.56848	1.1
131.03482	5.2
143.03465	2.1
149.04547	14.8
161.04597	1.9
179.05666	4.8
186.67813	1.1
191.05553	4.6
251.07744	2.0
293.08652	1.9
311.14880	4.7
443.19257	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	443.1927
Annotation	Plucheoside C
Peak:m/z	Relative Intensity
54.54424	2.1
59.01384	82.0
63.91013	2.5
69.03451	4.1
71.01380	73.7
73.02952	10.8
75.00871	2.6
81.03462	2.6
82.24313	2.7
83.01381	3.3
85.02960	9.8
89.02445	100.0
97.02940	15.0
99.00884	12.8
101.02449	17.1
111.00860	2.5
113.02450	10.4
115.04011	12.1
116.92806	2.5
123.06460	2.2
125.02452	43.8
127.03988	3.5
131.03531	9.7
140.92986	2.2
149.04521	11.7
149.09729	88.0
191.05621	5.2
203.07086	2.9
233.06627	32.4
293.08807	84.6
380.22229	2.4
443.19498	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	443.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19472	0.3
59.01382	4.3
71.01380	2.9
73.02951	0.7
73.26726	0.3
75.00894	0.4
83.01399	0.3
85.02958	0.7
89.02441	1.8
99.00874	0.4
101.02448	2.0
102.52654	0.3
103.85483	0.3
109.02911	0.5
111.04440	0.3
113.02452	1.8
117.01945	0.4
117.05590	0.6
119.03493	0.5
122.03734	1.7
123.04515	3.5
125.02448	0.4
127.03964	0.4
135.04529	1.2
137.06116	0.7
149.06111	3.3
153.05545	4.1
161.04514	0.5
163.07649	1.2
167.03499	0.6
168.57559	0.4
179.07202	0.4
180.07974	0.4
181.08713	100.0
187.27899	0.4
222.94327	0.3
223.09747	1.9
281.10358	0.4
295.17279	0.4
325.12988	5.3
343.13995	14.6
385.15088	10.7
385.19724	0.7
395.16135	0.4
402.35648	0.4
443.19479	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	443.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89418	0.6
59.01381	8.2
61.01813	0.6
68.40464	0.5
71.01379	3.0
83.01398	0.6
89.02430	3.9
101.02437	2.5
108.66046	0.6
113.02450	2.2
118.72810	0.5
119.03547	0.9
123.04520	50.0
137.02391	1.2
145.08754	0.7
153.05574	100.0
167.03621	0.8
179.03528	1.3
181.08775	4.4
201.12935	0.8
217.12274	1.0
218.12552	0.6
219.13245	0.5
221.11853	2.2
235.67569	0.7
283.73883	0.6
315.10873	2.1
443.10175	0.9
443.18915	23.7
463.41635	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	443.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.97467	1.9
82.73376	2.0
84.76705	2.0
92.19465	7.1
104.29393	2.1
109.76681	2.3
171.10306	2.5
180.83023	2.1
190.81085	2.0
192.63829	2.0
197.11801	3.4
291.19669	8.0
309.20752	13.8
313.01251	2.1
320.12827	2.3
390.00400	2.2
443.23996	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	443.244
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
50.81889	0.3
57.03458	4.1
72.39296	0.5
81.03461	0.8
83.01388	5.2
84.48008	0.4
90.40128	0.4
92.20014	0.5
107.01461	0.5
121.02950	0.6
123.04539	0.9
125.02443	100.0
139.31041	0.4
149.02477	1.7
167.03493	2.4
264.70364	0.5
317.21048	1.6
443.24438	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	443.2442
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
52.26397	0.5
53.73184	0.7
53.88798	0.6
57.03458	4.4
59.01371	0.9
68.56083	0.6
78.32121	0.6
80.76372	0.5
81.03464	0.9
83.01391	4.9
93.51485	0.5
96.71371	0.6
106.18153	0.6
125.02440	100.0
125.73820	0.7
149.02486	1.0
167.03448	3.0
249.18584	30.4
317.21207	1.4
443.24380	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	443.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
60.54646	0.6
68.94975	0.7
76.61726	0.6
129.33153	0.8
132.24081	0.7
159.08452	1.7
202.31654	0.7
204.60980	0.7
244.60107	0.8
359.15372	100.0
427.21649	50.2
443.24789	23.3
443.30688	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	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06089	0.3
98.58984	0.4
136.27806	0.4
159.08492	2.9
166.17459	0.3
357.13815	0.6
359.15384	100.0
401.79465	0.4
427.21658	49.1
443.24820	15.7
443.30951	0.6
464.40421	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	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74424	0.4
50.78836	0.3
57.78804	0.3
68.15981	0.4
93.37780	0.4
124.23151	0.4
159.08492	2.9
159.82378	0.4
229.58363	0.4
230.48116	0.5
247.60432	0.4
357.13855	0.8
359.15375	100.0
377.16547	0.6
406.44244	0.4
427.21622	50.2
443.24744	21.8
443.34906	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.74639	4.0
70.22777	4.0
92.19543	5.3
131.75591	5.2
160.29279	4.5
221.37340	4.2
221.39499	4.0
232.34380	4.3
297.94580	4.7
308.90292	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61615	0.7
59.01381	100.0
91.04002	3.8
124.99905	0.9
202.73409	1.0
211.13406	24.4
285.17010	4.7
291.19647	22.4
309.20746	27.8
329.17538	2.2
365.23294	4.2
383.24295	1.4
399.12915	1.5
443.11224	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79282	0.9
51.87964	0.9
59.01386	100.0
91.04028	2.1
111.08145	2.5
163.56386	1.3
181.26990	1.2
192.11366	1.5
197.11798	10.4
291.19635	5.9
309.20764	18.5
330.01770	1.3
347.29828	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77182	1.8
59.01384	100.0
59.71341	1.8
63.16278	1.8
65.95564	1.9
74.82891	2.4
99.55643	2.3
111.08149	2.4
120.04138	2.2
129.40436	2.5
164.01231	2.6
197.11829	14.3
291.19638	5.1
309.20755	16.5
402.55988	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77558	0.6
53.67260	0.7
59.01382	100.0
62.81855	0.6
78.94960	0.7
83.05025	1.1
89.02445	0.9
91.03996	8.6
93.03450	1.3
111.04478	1.5
134.48524	0.8
137.02454	4.0
141.75702	0.8
155.03514	1.6
156.07979	0.9
195.13905	3.6
221.15341	1.3
223.13332	1.2
273.18729	0.8
287.22250	5.0
291.19653	10.2
309.20688	31.4
321.13873	1.9
323.15396	5.8
383.17545	1.3
383.24396	5.1
443.26227	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01104	2.8
59.01385	60.6
59.01684	2.2
81.03433	1.9
83.05025	10.3
93.03449	74.7
99.04517	3.1
111.04517	56.3
111.05281	2.1
137.02441	39.0
155.03506	56.8
173.04602	1.6
202.70988	1.9
227.20201	2.8
287.22284	100.0
299.25970	2.7
309.53036	1.8
321.14111	11.5
323.15402	27.7
331.93567	1.5
378.62842	1.8
383.17474	7.0
443.25012	2.1
443.31021	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66818	0.7
57.03449	4.7
59.01366	1.3
69.21035	0.7
79.47099	0.7
79.60028	0.7
83.01396	7.2
98.09534	0.7
105.40240	0.7
123.04493	1.2
125.02441	100.0
149.02443	1.2
151.00406	0.9
167.03432	1.8
232.03778	0.8
249.18591	52.3
275.20105	0.8
443.24408	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	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58903	0.8
56.57882	0.8
58.97136	0.9
59.01387	1.5
63.17833	0.8
66.10320	0.9
72.84282	0.8
81.03450	4.7
83.05030	13.8
85.44915	1.1
93.03453	75.9
96.02139	1.3
103.39661	0.8
111.04517	37.6
112.48913	1.1
122.22242	0.9
137.02441	100.0
155.03503	56.3
169.15405	0.9
171.10289	1.2
172.45016	1.2
269.21393	1.2
269.26794	1.0
285.20831	1.0
287.22299	47.2
327.21829	3.8
443.26541	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18200	1.9
67.87635	2.1
77.27853	2.5
79.75322	1.9
92.19419	4.8
115.81174	2.3
140.00826	2.4
185.99220	2.2
294.53748	2.3
307.30063	100.0
336.48431	2.5
351.29013	31.7
355.26410	4.2
366.89334	2.6
369.30112	44.7
443.33932	66.9
456.78949	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	443.3381
Annotation	oscr#34
Peak:m/z	Relative Intensity
53.64000	0.6
60.16150	0.6
86.75218	0.7
93.46810	0.8
141.35825	0.7
142.08679	0.7
233.31796	0.8
265.57025	0.7
294.51373	0.9
305.28488	0.9
307.30081	100.0
324.64294	0.6
325.31213	1.1
338.63742	0.7
351.29080	36.7
369.30133	49.4
443.33832	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3535
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
56.87406	0.8
60.99315	1.4
74.02535	0.9
77.36022	0.7
77.59237	0.7
78.18367	0.9
82.82213	0.8
90.00272	0.9
107.05045	1.0
109.06534	1.2
135.27061	1.2
236.37904	1.0
343.30261	1.5
345.31683	6.1
399.36359	5.6
425.34106	1.7
443.35358	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	444.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98836	100.0
79.96281	0.8
90.55574	0.8
95.19849	0.9
97.86806	0.9
101.80532	0.9
112.48529	0.9
324.15463	1.3
419.02649	0.9
444.19266	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	444.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19271	0.8
52.38937	0.8
52.64907	0.9
54.30763	0.9
56.15667	0.8
61.98835	100.0
63.69577	1.0
154.45747	1.1
174.90292	1.1
213.31410	1.2
337.16891	1.0
337.97119	1.1
355.87396	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	445.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25778	1.3
59.01376	2.5
59.54542	1.2
62.86961	1.2
64.70613	1.3
75.00873	2.1
76.97842	1.3
109.91784	1.3
113.02419	1.5
116.02990	1.4
123.04443	2.5
125.02411	8.5
137.02429	2.8
139.03955	1.4
162.06815	1.6
165.05547	1.5
167.02171	2.2
167.03477	30.5
177.09148	1.6
179.03456	7.1
186.28636	1.5
193.01454	2.8
193.05042	5.4
195.03030	1.5
197.04509	2.6
205.01431	1.4
207.02922	2.2
209.02600	1.9
209.04573	46.2
209.08174	2.7
220.68156	1.3
221.04507	9.8
221.08076	7.9
233.04430	1.9
235.02423	19.0
235.06001	2.2
237.04065	15.9
239.05617	25.3
249.04056	18.8
251.05533	5.6
265.03568	15.0
267.05112	14.2
273.30695	1.5
279.05063	12.0
295.04346	2.1
307.04486	7.3
325.05679	12.4
326.25381	1.6
355.06570	3.2
382.59845	1.6
385.07761	2.7
427.08557	3.3
445.09732	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	445.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94251	1.8
55.39816	1.7
58.83521	1.7
59.01379	4.2
66.92326	1.7
71.01389	3.2
75.00871	100.0
76.42175	1.7
87.00877	2.9
89.02436	20.6
100.83730	1.8
101.02429	2.5
103.00376	94.3
104.92679	1.9
113.02436	2.2
119.38333	2.5
137.02498	3.8
156.92569	2.0
161.58855	1.9
191.05576	2.7
279.62610	2.1
341.11002	19.0
445.06628	8.1
445.12064	2.5
449.86267	2.1
461.79471	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	445.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
66.29375	0.4
71.01381	1.1
89.02456	2.9
92.20122	0.7
93.03458	41.0
94.33051	0.5
96.96027	0.5
101.02474	0.6
113.02433	0.7
123.04503	4.2
125.73161	0.4
133.05052	0.7
137.02454	100.0
149.02435	3.9
150.42764	0.5
162.15430	0.5
196.83011	0.5
299.07452	0.6
349.29761	0.5
445.07922	4.6
445.13538	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1357
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
57.03453	17.2
59.01388	100.0
66.96262	3.5
68.54468	3.7
71.01379	48.3
77.15618	3.9
78.31593	4.1
81.42228	3.6
83.62911	3.3
85.02961	6.8
89.02437	45.9
95.01352	6.0
95.05042	3.8
98.89613	3.9
99.04531	8.2
101.02448	28.4
113.02437	19.5
119.03481	19.2
120.30415	4.5
121.02963	15.2
121.06594	5.2
121.47915	4.8
121.74056	4.8
124.01647	21.8
125.02424	5.2
136.05278	9.3
138.98341	4.1
139.04002	34.2
151.07643	9.2
161.06044	6.8
173.56535	4.3
195.06651	42.0
221.08232	51.6
265.07227	41.6
283.08237	4.9
343.10345	6.1
429.99060	4.2
445.13544	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27536	2.7
59.01382	40.7
60.90502	2.6
62.51470	2.6
67.04314	2.6
71.01379	14.9
73.02935	4.2
83.01421	2.8
85.02961	3.2
86.61776	2.8
87.00871	11.9
89.02433	12.1
101.02435	6.5
113.02396	4.8
115.00362	100.0
135.02997	4.9
140.35626	3.4
148.07658	6.5
152.08435	3.9
160.07687	14.6
171.06883	4.7
173.04688	3.4
174.01683	14.8
174.05540	41.1
175.02461	75.6
175.06371	17.1
176.07172	41.7
188.07141	4.9
202.05086	6.9
206.08400	3.1
217.07381	17.7
218.08109	3.3
223.13635	3.4
228.14032	3.6
254.10568	14.0
269.12949	68.3
271.14536	6.0
283.14313	4.7
299.13962	13.9
327.13504	28.3
385.14023	64.8
385.18790	13.1
389.53049	3.6
445.24078	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	445.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39393	0.6
59.01385	8.6
66.03493	0.9
71.01372	3.9
85.02918	0.9
87.94244	0.8
89.02436	3.1
95.01347	1.0
101.02402	1.7
112.29599	0.8
113.02410	1.2
121.02937	0.7
124.26553	0.7
125.85290	0.7
134.06137	1.5
153.44801	0.6
164.35425	0.7
196.11343	0.9
199.22507	0.7
209.07175	1.1
211.08638	0.8
223.08760	1.4
224.09561	3.8
239.11903	100.0
241.13400	1.2
272.78381	0.8
283.10898	39.6
297.12424	3.1
325.11859	6.4
385.14166	1.7
445.16211	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88989	0.2
57.03448	1.9
59.01384	39.4
59.06247	0.2
71.01379	9.0
72.99300	0.4
73.02944	1.7
80.60496	0.3
83.01411	1.1
85.02940	4.7
87.00871	0.6
89.02440	8.3
92.19521	0.5
95.01369	0.7
99.00870	0.5
101.02436	8.9
103.04012	25.9
113.02444	5.4
119.03486	3.7
121.02956	2.7
123.04516	32.4
135.60419	0.3
139.04085	0.4
139.07729	0.4
143.03465	0.6
147.06641	18.1
149.06049	0.3
151.03986	1.5
151.07544	0.4
152.08421	2.0
153.05571	100.0
153.09113	4.6
159.02910	0.4
161.04553	3.3
165.05544	0.3
167.07133	15.8
179.05617	3.7
179.07016	0.5
195.06613	0.6
205.12344	1.2
208.03767	3.2
212.78285	0.3
223.06116	4.1
223.13393	0.6
279.91998	0.3
283.08234	0.6
297.09793	5.1
315.10910	21.2
315.14392	1.2
327.14481	1.6
329.12418	1.6
367.17627	7.5
385.14990	0.4
385.18723	11.0
401.14316	3.3
445.13004	4.5
445.21674	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	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13899	0.5
57.03441	1.2
57.86282	0.6
59.01385	31.3
59.01688	1.0
61.98846	0.7
63.76313	0.6
71.01377	11.1
76.42838	0.7
83.05005	0.6
84.34812	0.6
85.02946	2.7
87.00876	0.8
89.02438	15.3
95.01441	0.6
97.02929	0.6
97.06574	1.3
101.02445	9.4
102.00528	0.5
103.04015	21.5
113.02435	3.8
119.03505	4.7
121.02927	0.9
123.04517	33.7
123.05408	1.1
135.71846	0.6
147.06650	19.3
153.05574	100.0
161.04587	1.5
167.03526	1.0
167.07106	1.2
179.05626	10.4
216.76120	0.6
283.12015	0.8
297.09802	5.9
315.10883	18.2
371.09930	0.8
385.18542	0.9
401.14566	2.8
445.13095	2.5
445.21619	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	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58367	1.3
57.03433	1.8
59.01103	2.7
59.01384	45.6
60.63377	1.3
60.79312	1.5
67.41377	1.5
71.01383	28.4
75.00881	8.7
79.05524	25.7
81.46546	1.7
83.01394	2.3
83.05012	1.7
85.02931	3.4
89.02443	26.5
95.01374	2.2
95.05010	6.7
97.02968	1.9
97.06590	100.0
97.07233	3.2
101.02441	15.5
105.01934	34.0
109.11375	1.5
111.04476	2.1
113.02437	18.5
118.89982	1.7
119.03502	10.4
121.02971	2.9
121.06580	4.0
123.04504	18.3
125.02448	3.7
133.20277	2.1
135.04674	1.8
137.06064	2.1
141.05612	43.5
151.00356	3.5
161.04510	3.5
163.03993	2.0
165.05598	14.9
167.07118	3.2
179.05618	3.2
201.44537	1.8
203.07057	2.0
242.00192	1.7
283.11847	52.3
376.43356	1.7
434.50220	2.0
445.16727	10.9
445.21225	10.4
449.61920	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	445.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
74.27310	0.5
82.82652	0.4
92.97923	0.5
115.94744	0.5
117.01951	1.8
121.02892	0.5
133.11923	0.4
147.88223	0.5
199.44348	0.4
231.10208	4.9
313.14481	2.6
328.16824	8.5
329.17612	100.0
385.85190	0.5
445.18741	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	445.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
65.08624	0.3
71.01381	1.5
98.17570	0.3
115.00385	1.5
116.92867	0.7
117.01922	1.3
197.02678	0.3
231.10179	4.1
313.14508	1.8
313.17947	0.3
328.16837	5.8
329.17596	100.0
445.12558	0.6
445.18701	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	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10209	0.8
55.24337	0.9
59.01383	100.0
70.66837	0.8
87.00224	0.9
91.70053	1.0
99.63155	1.0
149.00067	8.6
198.77231	1.0
205.16048	1.4
299.69827	1.1
332.56915	1.0
355.16833	46.1
385.17844	26.8
445.20013	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	445.2083
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01848	1.0
59.01381	20.3
64.94805	0.9
71.01385	39.5
73.02944	19.5
73.58160	0.9
79.67540	1.1
83.01380	5.5
85.02953	16.1
89.02450	20.7
94.82647	1.1
95.01369	1.5
97.02927	1.3
99.00868	12.6
101.02444	34.1
113.02445	18.4
113.77330	1.2
115.04007	1.5
121.50282	1.0
125.02452	2.0
131.03424	4.0
132.01505	1.1
143.03510	1.2
149.04562	5.5
159.02982	2.3
161.04555	11.4
187.80467	1.1
188.73811	1.1
191.05659	1.3
293.08719	1.2
313.16617	13.6
445.20834	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	445.2083
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01875	1.4
57.03445	1.0
59.01385	35.2
61.98835	0.6
62.20453	0.6
63.44542	0.5
68.44331	0.6
71.01384	23.7
72.99352	0.9
73.02944	4.4
75.00871	2.8
82.99528	0.6
83.01395	1.4
85.02946	10.0
87.00858	0.8
89.02437	17.8
95.01392	2.8
97.02929	0.8
99.00880	0.9
101.02435	20.8
103.04018	1.2
111.04504	1.6
113.02429	12.1
119.03522	5.4
121.02950	1.1
125.02456	0.9
141.09227	0.9
142.32559	0.6
146.08154	0.7
161.04575	1.6
191.14336	0.8
203.14423	1.0
209.15343	0.8
239.16541	1.0
406.83047	0.9
445.20871	100.0
463.71280	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	445.2081
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01882	2.6
56.38850	1.4
57.03429	1.9
59.01107	2.1
59.01383	45.0
71.01377	55.5
73.02940	26.9
74.19181	1.5
75.00877	1.7
83.01374	9.9
85.02943	26.7
85.36028	1.7
89.02441	36.8
95.01363	1.6
97.02958	2.0
98.19858	1.5
99.00863	15.5
101.02444	48.6
113.02431	27.3
114.13332	1.8
115.04015	1.7
119.03475	3.7
125.02402	2.8
131.03484	2.9
139.04077	1.6
149.04507	10.1
155.94319	1.8
159.03003	2.5
161.04570	4.0
185.88202	1.8
191.05588	3.4
195.52266	1.6
239.51378	1.7
283.15530	2.0
293.08755	2.0
313.16562	26.5
346.21936	1.5
385.18631	4.0
436.78757	2.1
445.20737	100.0
459.89932	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	445.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43858	19.1
59.01381	100.0
92.20048	40.4
97.23902	21.6
100.05753	23.8
105.38773	23.1
141.58235	22.4
144.43364	31.1
153.09210	26.8
200.27377	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	445.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01329	1.0
59.01362	1.8
59.96464	1.1
60.93965	1.1
72.76548	1.1
75.08231	1.3
79.33613	1.3
81.68622	1.2
106.34042	1.3
130.64709	1.3
147.00407	1.4
158.58760	1.5
173.07564	1.3
204.34848	1.3
280.11090	2.9
302.09579	2.0
317.11774	6.3
359.16519	13.8
383.29651	1.7
385.18884	1.8
386.15237	11.7
387.16101	16.4
401.17615	5.6
402.18365	100.0
445.23865	63.9
445.29947	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	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
64.19425	0.5
76.91423	0.6
78.95898	2.6
110.98502	4.0
125.02457	8.6
163.00818	0.6
167.01109	1.5
185.02205	4.3
190.27721	0.6
277.21738	100.0
445.23523	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	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89424	4.8
54.56159	5.0
54.94720	4.8
59.01386	100.0
61.98819	7.5
62.07404	4.6
65.48888	5.3
66.33746	4.9
80.30601	7.1
87.53709	5.9
92.20124	12.7
129.24484	6.6
133.44162	6.0
142.27670	5.7
153.88187	6.1
154.70313	7.2
155.15895	6.0
160.87587	5.7
190.12967	6.8
204.68913	6.0
254.90163	6.5
311.22214	8.6
380.25494	6.7
404.66803	6.0
411.37561	6.5
445.29663	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	445.2599
Annotation	CJ 13103
Peak:m/z	Relative Intensity
52.40836	0.2
54.75672	0.2
57.03448	3.6
62.07172	0.2
67.23937	0.2
73.39768	0.2
81.03462	1.3
83.01389	6.0
97.69576	0.2
99.62868	0.2
107.01409	0.4
113.16856	0.2
117.50988	0.2
121.02953	0.2
123.04536	1.2
125.02438	100.0
146.72420	0.2
149.02403	1.9
151.00388	0.9
160.24101	0.2
167.03467	2.4
277.21786	0.3
319.22778	2.5
412.14395	0.2
427.24808	0.7
445.25980	24.5
458.56656	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	445.2598
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
56.26297	0.6
57.03448	3.3
59.01366	1.1
64.16428	0.7
80.23541	0.6
81.03452	0.8
83.01383	5.7
121.03065	0.6
125.02438	100.0
149.02466	2.9
153.62798	0.7
167.03555	2.2
204.11496	0.6
352.82422	0.7
445.25970	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	445.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01426	0.9
91.04009	4.1
92.20073	2.3
98.14429	0.9
99.74026	1.0
102.49216	0.9
123.50842	0.9
129.09267	0.9
150.26785	1.1
153.09184	1.0
181.12579	1.0
196.70576	1.0
197.11855	1.2
197.24147	1.2
199.17119	1.0
201.14484	1.0
211.13483	4.7
224.96088	1.0
293.21222	1.4
311.22324	27.8
385.18710	1.4
385.25897	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	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.57169	0.9
81.91702	1.0
91.03992	4.1
96.61897	0.9
98.16160	1.1
105.09971	1.1
153.09230	1.0
211.13394	4.8
230.35513	0.9
241.46057	1.1
293.21255	1.6
311.22247	21.7
385.18781	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	445.3325
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
50.42612	0.4
77.68107	0.5
115.93172	0.6
118.89005	0.5
121.06567	2.5
136.05305	23.1
149.06076	90.6
162.72194	0.5
224.68930	0.6
295.26434	10.9
335.53983	0.6
406.66751	0.5
412.30716	0.6
427.32193	5.4
430.30725	3.7
445.33267	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	445.3325
Annotation	Stylisterol B
Peak:m/z	Relative Intensity
52.06295	0.4
57.56166	0.5
59.01373	0.6
76.33368	0.5
85.82589	0.6
121.06583	3.8
136.05286	2.8
149.06073	100.0
160.64539	0.6
162.06827	2.9
163.07674	0.9
175.07648	0.6
217.42586	0.6
273.12582	0.6
341.41949	0.6
397.31134	1.3
400.29871	3.3
409.31189	0.7
412.29813	1.3
415.32266	2.9
427.32266	2.3
430.30872	12.2
445.33258	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55746	0.7
59.01105	1.2
59.01386	26.4
62.77611	0.8
69.25731	0.7
71.01381	11.8
72.99302	2.0
73.02952	1.0
73.42464	0.7
75.00903	0.8
75.38078	0.7
75.62535	0.7
85.02943	3.2
89.02442	7.9
91.05522	1.5
94.51480	0.8
96.41782	0.8
101.02445	8.6
113.02425	4.7
119.05026	60.2
120.04544	17.5
121.02955	45.2
152.62469	1.0
163.03952	1.0
210.09248	2.0
222.09251	10.0
266.08215	9.8
284.09161	1.2
322.13428	0.8
325.09512	1.5
326.89682	0.9
446.14609	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	446.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46039	3.3
59.01389	100.0
60.01724	8.4
65.54274	3.1
71.01384	30.5
72.50370	3.0
77.18163	3.2
85.02917	6.1
89.02445	34.3
89.56104	3.2
90.02782	5.2
101.02431	15.2
113.02412	15.2
114.02744	5.0
119.03522	4.7
128.60712	3.3
141.80649	3.3
152.08328	5.3
153.09242	36.3
154.09564	28.0
161.04468	5.4
162.04730	4.5
166.88034	3.6
176.09666	3.4
179.05641	5.7
180.06003	6.0
206.12718	13.5
223.13243	3.3
224.13760	4.2
229.04379	3.2
257.21210	4.4
267.81586	3.6
350.99622	3.6
385.18750	6.2
386.19049	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Quercetin 3-methyl ether 3'-xyloside
Peak:m/z	Relative Intensity
51.54392	0.8
58.71337	1.0
59.01392	7.8
59.75558	1.0
64.37466	0.9
71.01385	11.5
73.02938	1.6
79.52136	1.1
83.01407	1.3
83.48579	1.0
85.02928	4.9
89.02434	2.4
92.20051	1.5
99.00853	1.2
101.02431	10.1
113.02431	5.2
121.02950	5.3
145.38782	1.1
146.03287	1.2
155.26689	1.0
161.04532	1.9
165.01894	11.8
167.07123	25.9
193.01477	1.5
209.39516	1.0
211.13547	1.3
254.02213	1.4
269.04456	1.9
271.02490	20.4
285.04141	2.4
297.03970	1.5
299.01971	100.0
300.02719	14.2
314.04349	86.4
315.05118	40.3
315.18164	6.1
343.06113	1.6
355.12335	1.2
375.08902	4.1
412.31015	1.2
447.09348	86.8
447.21896	14.1
447.31250	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	447.0939
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
59.01387	6.3
64.75694	1.3
71.01372	2.5
75.00872	17.1
89.02432	5.6
99.00903	1.5
105.01949	2.4
105.99722	2.6
121.02932	1.6
123.04527	22.3
125.02415	3.0
128.03542	9.1
133.02934	1.6
135.03012	40.2
137.02457	2.3
139.04002	1.7
143.04602	1.7
144.19858	1.4
149.02469	19.6
151.04066	2.3
153.05583	47.5
153.06792	2.5
161.02577	2.0
163.00346	6.2
175.01822	3.4
176.01189	15.0
177.01938	100.0
178.99875	3.2
190.02850	1.5
190.99895	2.6
204.00594	3.4
235.25859	1.3
267.06723	2.5
285.09888	1.8
304.06158	19.1
311.02240	2.9
311.05655	63.7
447.05698	2.1
447.15036	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69546	0.5
57.11674	0.5
59.01389	11.8
63.26846	0.4
63.51286	0.5
67.26725	0.7
69.86903	0.5
71.01380	3.7
73.02942	0.9
89.02451	2.6
89.52757	0.5
101.02436	2.4
113.02441	0.8
113.62861	0.6
119.03554	0.5
119.05029	3.7
120.04589	0.8
120.05355	1.0
121.02946	2.1
122.03285	1.1
133.02945	0.6
179.03508	0.8
223.09674	0.8
284.03299	55.2
285.04062	100.0
387.20233	2.3
447.09363	58.7
447.14911	6.5
447.21838	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55190	0.7
58.72789	0.7
59.44321	0.7
96.46698	0.8
101.93967	0.7
109.95915	0.8
196.74677	0.9
217.32547	0.7
227.03496	35.4
228.04286	1.1
229.05086	1.0
255.02988	63.8
256.03769	12.0
284.03271	75.7
285.04056	19.1
410.27005	0.9
447.09357	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	447.1147
Annotation	Aralidioside
Peak:m/z	Relative Intensity
59.01371	1.4
78.84444	0.9
82.69598	0.9
82.95376	1.0
87.59791	0.9
88.98779	1.9
96.32042	1.0
109.35621	1.0
116.80897	0.9
121.02943	1.0
137.06001	1.4
139.03986	1.5
149.06123	1.3
151.04013	2.1
164.34563	1.0
165.05537	1.3
167.03499	9.8
168.85185	0.9
169.52617	1.0
177.05583	5.0
179.03514	4.8
181.05055	4.5
190.69316	1.1
193.05069	6.0
195.03046	1.1
197.04608	1.7
205.05096	1.8
206.02167	2.0
207.02992	7.2
209.04530	9.4
219.02975	4.1
219.06720	1.2
221.04572	25.4
223.05981	1.5
225.04085	2.0
235.06151	2.0
237.04031	8.8
239.05559	6.2
249.04045	64.2
251.05585	9.2
261.04089	5.3
263.05627	1.9
267.05130	34.1
279.05090	38.8
291.05127	2.3
293.06693	1.6
297.06314	11.9
309.06116	4.9
321.06207	2.0
327.07263	11.7
351.07233	1.3
357.08505	1.1
369.08200	2.0
387.09409	12.8
429.10843	1.3
447.11478	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16756	0.6
60.09802	0.6
62.03737	0.5
78.85500	0.6
78.95910	11.7
88.08415	0.6
96.96950	0.6
149.00067	9.0
154.84874	0.7
158.92595	0.6
179.01141	1.3
196.28691	0.6
205.25308	0.6
258.15369	0.6
417.12073	1.2
424.66260	0.7
432.21268	0.6
447.13458	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84430	0.3
59.01362	0.5
61.68995	0.3
76.64075	0.3
78.95907	10.7
79.71328	0.4
96.96980	0.8
99.65205	0.3
137.73892	0.3
139.36154	0.3
149.00087	8.1
158.92516	1.4
179.01146	2.2
189.79761	0.3
218.85310	0.4
255.61516	0.3
347.08179	0.5
368.51816	0.4
417.12521	0.7
431.10522	0.4
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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66258	0.2
53.37116	0.2
55.49565	0.2
69.38738	0.2
76.79549	0.3
77.13795	0.2
78.95906	10.3
78.96339	0.5
96.96973	1.0
116.45406	0.2
117.31903	0.2
117.33063	0.2
140.89679	0.2
149.00082	8.2
158.92535	1.1
179.01129	2.4
205.15865	0.4
313.58621	0.3
347.08203	0.5
417.12439	1.6
431.10629	1.0
447.13477	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	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69764	0.3
70.82423	0.4
71.02184	0.3
71.92122	0.4
74.77077	0.3
78.95910	11.4
92.47661	0.4
96.88699	0.4
96.96955	0.8
149.00092	8.7
156.41232	0.4
158.92529	2.2
174.98535	0.4
179.01093	1.9
233.11124	0.4
301.78769	0.4
326.16156	0.5
347.08380	0.5
417.12302	0.6
431.10260	0.6
447.13461	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	447.1508
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
56.82785	0.3
58.33902	0.2
59.01383	0.4
60.70541	0.2
65.33523	0.2
71.01405	0.3
84.50284	0.3
85.85116	0.3
89.02430	0.5
111.23311	0.3
123.04514	44.5
128.63043	0.4
129.60127	0.3
142.22600	0.3
149.04495	0.4
153.05566	100.0
157.88031	0.3
169.08397	0.3
182.49294	0.3
275.55679	0.3
293.08777	2.0
427.18723	0.3
442.98688	0.3
447.15100	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	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92787	1.2
59.01379	7.6
71.01389	6.4
73.02935	1.4
79.26167	1.3
85.02946	5.9
89.02448	3.1
101.02448	14.0
113.02445	4.4
121.02953	100.0
125.02466	2.1
131.03479	2.0
135.04535	40.7
161.04596	1.4
163.03976	3.1
163.06120	8.4
178.74403	1.4
181.07185	1.8
192.71378	1.4
222.28824	1.2
295.24741	1.4
325.11380	39.5
342.47900	1.3
447.14996	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	447.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99356	0.2
58.61364	0.2
59.01385	4.5
61.03519	0.2
63.84614	0.2
67.94496	0.2
68.71074	0.3
71.01376	4.8
73.02953	3.0
75.00877	0.4
83.01366	0.6
85.02942	2.5
89.02441	1.7
91.05521	0.4
95.01385	0.5
99.00871	0.6
101.02449	5.9
111.00867	0.3
112.16246	0.3
113.02455	2.5
115.04047	0.3
122.03762	2.5
123.04551	0.3
128.00761	0.3
146.80832	0.3
159.02998	0.4
161.04581	1.3
167.07132	100.0
211.13396	1.1
225.15053	0.3
248.38542	0.3
255.02933	0.4
284.03183	0.4
315.18146	4.5
329.12427	3.3
387.20337	0.5
427.87744	0.3
447.09998	0.3
447.16510	2.0
447.21921	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	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99876	0.3
59.01392	5.0
70.33959	0.3
71.01373	2.0
73.02940	0.8
85.02912	0.5
89.02440	4.0
99.00883	0.7
101.02424	1.8
112.10061	0.3
113.02426	0.6
115.03909	0.3
121.02977	2.5
122.03748	2.9
133.52620	0.3
137.06122	0.4
149.04552	0.6
167.10690	0.5
181.08710	100.0
232.50337	0.3
377.01990	0.3
393.65726	0.3
447.16525	1.6
447.22519	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	447.1794
Annotation	Prenylcandidusin B
Peak:m/z	Relative Intensity
62.89373	9.6
70.83882	9.4
71.01398	10.7
71.38062	9.8
80.90006	9.9
83.17000	11.0
87.23431	11.3
131.88823	10.4
247.81158	14.0
284.03250	14.0
285.04245	12.2
301.88513	11.7
402.45047	12.5
428.86209	13.6
447.09409	17.3
447.17429	100.0
447.23096	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	447.2028
Annotation	alpha-Caesalpin
Peak:m/z	Relative Intensity
51.71235	0.8
57.21856	0.9
57.93369	1.1
59.01384	100.0
71.01382	1.2
72.07992	1.0
72.67194	0.9
80.72159	0.9
87.00877	1.5
90.89983	1.0
109.06639	1.4
121.06606	1.1
123.08178	12.7
124.49644	1.1
139.84485	1.0
142.99948	1.4
149.06052	1.3
158.83902	1.1
213.49396	1.1
255.03075	1.5
268.14496	1.1
283.17072	8.9
284.03220	2.6
325.18073	2.5
343.19031	4.7
387.18149	31.3
443.82541	1.0
447.09439	2.1
447.20273	50.3
447.25577	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	447.2241
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
54.07293	1.2
55.01876	1.4
59.01387	30.5
71.01382	42.9
73.02946	18.1
74.27901	1.2
75.00876	1.3
77.59754	1.1
83.01385	6.3
85.02946	19.0
89.02457	17.8
89.26729	1.3
92.20061	2.4
95.01381	2.1
99.00852	10.8
101.02444	38.9
104.12015	1.3
113.02449	24.4
115.03979	1.6
147.92793	1.3
153.59982	1.2
159.02943	3.0
161.04539	8.2
161.46635	1.3
179.14581	1.3
203.04918	1.2
259.02359	1.4
285.16946	2.4
297.92520	1.4
299.01987	7.2
303.77911	1.3
314.04327	8.4
315.04990	3.1
315.18188	12.6
355.80389	1.5
375.08771	2.0
447.09250	6.4
447.22333	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	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.18863	1.2
59.01384	62.7
71.01373	44.9
73.02946	17.8
85.02962	9.4
89.02438	84.8
95.01381	1.5
99.00877	30.6
101.01821	2.1
101.02446	35.7
113.02430	16.4
119.03488	6.7
125.02438	2.5
131.03516	11.2
132.97112	1.4
143.03490	1.3
148.47023	1.3
149.04559	27.0
159.37756	1.4
161.04532	7.3
165.83827	1.5
191.05658	9.3
221.06584	1.7
223.17117	1.6
225.14932	6.7
251.07811	1.9
285.17215	2.6
315.18195	7.0
447.22382	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	447.2242
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.77134	0.7
51.84598	0.7
53.63479	0.8
55.01865	3.0
57.03444	1.6
59.01109	1.5
59.01386	35.6
66.80614	0.8
67.91782	0.7
69.03452	1.0
71.01384	42.3
71.15577	0.8
72.58524	0.7
73.02539	1.2
73.02946	20.9
75.00848	1.9
83.01382	7.6
85.02957	17.3
87.00883	2.0
89.02439	21.4
95.01349	3.3
97.02960	1.3
99.00876	12.0
101.02446	34.5
110.89178	0.9
113.02439	21.6
115.03990	1.1
119.03484	1.8
120.00354	0.9
125.02412	1.8
131.03505	1.7
143.03522	1.4
149.04555	1.4
159.02972	1.8
161.04558	13.6
167.07138	39.8
185.79782	1.0
189.93204	1.0
210.12573	1.0
227.03490	1.1
263.50784	0.9
315.18201	13.1
340.04651	1.0
343.06192	5.0
375.08688	4.9
447.22357	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	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28817	1.1
59.01385	66.9
61.98810	1.6
71.01012	1.7
71.01379	40.6
73.02955	14.7
73.36194	1.1
75.00833	1.6
83.01366	4.9
84.11427	1.0
85.02947	13.9
89.02438	56.3
95.01346	1.5
97.02903	1.6
99.00883	10.8
101.01818	1.7
101.02441	34.7
113.02448	18.7
119.03518	10.1
122.03668	2.0
125.02379	5.5
128.60709	1.1
131.03450	5.2
149.04552	12.2
153.05518	1.6
155.10715	2.6
161.04488	6.6
165.98466	1.2
167.07135	100.0
179.05611	2.1
181.08682	18.0
191.05522	4.3
211.13409	13.9
225.14883	1.9
255.02875	4.6
284.03116	1.3
285.03711	1.7
315.18158	11.5
329.12311	1.9
387.19876	1.5
447.09036	4.2
447.22131	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18630	0.6
62.43260	0.6
69.00954	0.7
70.70648	0.6
77.22173	0.6
78.95893	5.7
79.07813	0.6
89.51254	0.6
95.46060	0.6
109.66980	0.7
110.98515	7.3
125.93600	0.6
167.01158	6.6
169.24127	0.6
185.02214	3.2
226.15956	0.7
247.66304	0.6
249.60017	0.6
279.23300	100.0
300.32098	0.7
328.27844	0.7
365.73517	0.7
447.25220	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.6
65.55461	0.6
78.95907	1.1
94.22121	0.6
102.92966	0.6
110.98513	3.4
132.69536	0.6
157.97443	0.5
166.57573	0.5
185.02184	3.5
199.44951	0.6
219.13312	0.7
250.28667	0.5
252.59607	0.6
261.22284	1.0
279.23306	100.0
288.90405	0.7
424.02911	0.6
447.25177	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	447.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04512	4.2
59.01376	21.5
65.29026	4.2
80.79263	4.3
93.03458	5.4
117.62376	5.0
129.58432	5.9
149.68097	5.6
152.99619	5.6
161.02429	100.0
199.19336	4.7
211.13399	5.7
226.31462	4.6
266.68594	4.7
284.03284	9.2
285.20682	18.0
375.21161	5.1
420.24777	8.4
447.08939	6.4
447.23782	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	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91490	13.4
59.01359	18.4
69.67791	14.4
82.52486	14.1
106.76199	15.8
124.29333	16.4
226.76749	15.4
230.50020	14.5
284.45139	16.4
353.08173	15.5
420.52954	15.9
447.24680	33.9
447.31235	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	447.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26868	2.0
57.03449	4.3
62.06759	1.8
64.53837	2.1
66.97153	2.0
67.21312	2.1
69.99842	1.8
81.03464	2.6
83.01368	2.5
96.96030	3.4
113.99487	2.6
123.04508	25.3
125.02442	100.0
125.03352	4.5
133.31929	2.7
146.10406	2.3
151.04526	2.3
161.66212	2.4
167.03499	79.5
193.01440	26.6
312.02676	2.7
447.27496	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	447.2755
Annotation	Xenortide B
Peak:m/z	Relative Intensity
51.10388	0.4
53.27925	0.5
54.91124	0.5
57.03450	3.6
59.01400	0.7
59.57941	0.5
63.76958	0.5
66.99746	0.5
68.65080	0.5
69.57057	0.5
81.03471	0.8
83.01392	5.2
92.10073	0.5
115.32617	0.6
121.02984	0.9
125.02439	100.0
131.62711	0.5
149.02414	1.0
151.00429	0.5
167.03514	2.2
202.65332	0.7
279.23358	12.7
321.24390	2.3
346.03650	0.5
434.33676	0.6
447.27673	24.9
454.53091	0.5
467.05963	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	447.2754
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
57.52345	0.7
57.79421	0.7
66.19238	0.7
66.68533	0.7
70.17136	0.7
72.02950	0.7
73.92159	0.6
76.45270	0.8
92.20025	1.0
132.02226	0.9
132.69208	0.8
133.02946	5.1
134.03746	12.7
135.04503	3.3
137.02443	3.2
139.04016	1.4
148.05266	4.2
160.01657	31.4
161.02415	6.6
161.06039	3.5
162.03197	3.8
172.31253	0.7
175.03998	93.7
177.01788	1.0
178.02742	3.7
179.03499	3.5
193.05032	8.0
204.11540	1.4
247.09700	1.6
271.22809	17.2
275.12823	1.0
275.27554	0.8
279.23318	7.3
289.14456	1.3
317.16977	1.0
331.19168	2.8
331.97803	0.9
345.20715	5.7
347.25830	3.2
385.67145	0.8
415.24884	11.7
447.27551	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	447.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91951	1.0
59.01385	100.0
59.72477	1.1
61.98838	7.4
71.29770	1.1
91.03994	2.2
100.74776	1.3
225.94890	1.5
273.23428	1.3
285.20529	1.9
313.23837	6.0
447.09280	2.2
447.25278	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	447.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07142	1.0
59.01383	100.0
59.62788	0.9
61.37321	1.0
73.43708	1.0
77.88744	1.1
78.95906	1.2
91.03992	1.9
119.05005	1.5
145.02951	4.6
152.99551	1.8
163.04070	1.3
231.13882	2.1
284.03156	2.5
313.23901	6.5
373.19995	1.6
447.08566	2.2
447.13699	5.1
447.23672	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	447.3482
Annotation	CHEBI:70532
Peak:m/z	Relative Intensity
50.82103	1.0
62.88482	1.1
64.74886	1.3
79.26260	1.1
104.12645	1.1
118.00056	1.2
121.06544	1.3
136.05315	5.8
149.06078	100.0
208.60127	1.2
264.95837	1.3
279.23349	4.7
432.32446	16.4
439.50296	1.2
447.34879	72.3
447.41068	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	447.3483
Annotation	CHEBI:70532
Peak:m/z	Relative Intensity
53.57514	1.7
57.64619	2.1
66.39809	2.5
98.18765	2.3
100.57635	2.1
107.05033	5.2
109.06628	19.4
184.47517	2.5
221.98315	2.1
226.69254	2.2
259.98505	2.5
355.30237	20.7
385.34851	43.5
393.31876	3.0
411.32693	47.5
429.33853	23.1
447.34842	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	447.3483
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
60.99308	0.9
73.91944	0.4
194.09001	0.5
248.69063	0.4
331.30090	0.9
385.34903	4.0
398.77893	0.4
411.32663	0.4
429.33881	4.8
447.34836	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	448.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28903	0.8
54.56814	0.9
56.37886	0.8
59.01378	2.6
60.61413	0.9
61.98838	1.5
66.01066	1.1
70.31720	1.1
71.01380	0.9
73.02938	2.0
74.30088	1.0
92.20068	1.4
105.16678	1.0
129.91589	1.2
151.00360	4.0
180.00165	1.3
227.03502	8.8
228.03851	17.0
255.02951	18.3
255.44823	1.1
256.03339	34.8
257.04178	6.2
271.02570	1.8
272.02747	5.8
284.03311	16.1
285.03625	45.9
286.04346	12.7
300.02783	7.0
301.03192	20.9
302.03705	9.7
331.23132	1.1
448.09702	100.0
448.22440	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	448.1098
Annotation	Crizotinib
Peak:m/z	Relative Intensity
55.36389	0.2
67.20655	0.2
68.91978	0.2
70.60416	0.2
71.97987	0.2
79.34131	0.2
112.06451	0.2
113.07890	0.2
124.01649	1.8
146.04567	0.4
153.00702	1.7
154.01460	100.0
250.25664	0.2
262.60263	0.2
301.85001	0.2
358.66550	0.2
402.14706	0.3
448.10983	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	448.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.7
59.20132	0.2
61.98830	2.9
67.41828	0.2
71.01376	0.4
73.02948	0.2
85.02929	0.3
89.02413	0.2
92.20047	0.3
93.13020	0.2
101.02447	0.8
110.48711	0.2
117.05590	0.8
122.02478	4.8
122.03764	2.7
137.02457	0.3
137.06091	0.9
138.60767	0.2
181.08711	100.0
196.53227	0.2
228.03760	0.3
255.03101	0.3
256.03329	0.5
284.03320	0.3
285.03796	2.5
286.04401	4.3
301.02701	0.3
388.20746	1.4
448.09714	2.0
448.16113	2.1
448.22836	1.3
474.89191	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	448.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65030	1.5
56.98248	1.4
59.01383	67.7
60.01723	4.0
61.98830	37.6
71.01385	10.6
74.02474	6.2
82.02995	2.6
87.05640	2.0
89.02446	11.6
97.04073	14.6
100.00401	3.4
101.02438	11.1
102.00220	3.1
105.99693	16.8
112.54570	2.0
113.02400	3.4
125.03548	1.6
128.03529	60.3
130.61803	1.6
135.05658	2.8
141.03023	2.5
143.04623	7.7
153.06662	11.6
160.00682	4.0
160.03569	1.6
160.52647	2.0
161.04581	2.0
169.06209	1.8
175.01817	20.1
176.07059	1.8
179.04645	9.6
189.57961	1.8
197.05672	3.7
226.08307	2.3
272.08820	2.3
286.04880	2.7
299.05521	3.3
300.05975	16.4
304.06113	100.0
322.06973	3.5
327.05121	7.5
328.05472	36.1
340.05264	2.2
358.06573	1.8
388.20654	16.0
448.09735	38.8
448.23062	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45095	0.4
51.14789	0.4
57.09695	0.4
59.01384	3.9
61.98837	100.0
68.43667	0.5
71.01373	0.6
86.11502	0.6
89.02444	0.5
92.20159	0.9
101.02426	0.7
110.80631	0.6
129.16972	0.6
136.32219	0.6
150.70615	0.6
154.09543	0.5
195.86313	0.6
274.27414	0.6
328.23526	0.5
374.81616	0.6
384.61230	0.5
387.19476	0.6
388.19888	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	449.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.3
110.39127	1.2
113.92874	1.2
116.92809	1.9
132.91412	1.3
137.50955	1.2
161.02411	5.9
165.01816	1.7
175.03995	1.9
177.01933	15.6
189.01936	8.2
191.03517	8.4
217.01405	1.6
229.01410	22.5
231.02954	4.9
243.02974	5.1
257.00848	6.7
258.01624	8.8
259.02530	13.1
271.02481	40.4
299.01978	80.3
331.05484	1.4
340.02237	7.6
375.04901	5.3
386.04382	1.8
402.03894	8.1
403.04596	28.3
414.03857	1.6
429.02640	5.1
430.03113	2.1
431.04114	51.2
449.05124	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	449.088
Annotation	Gaboroquinone A
Peak:m/z	Relative Intensity
56.09283	0.8
56.42868	1.0
61.91255	0.9
63.60958	0.8
68.99802	1.4
69.76688	1.0
71.17974	0.8
71.46806	0.9
111.70180	1.0
115.74307	1.0
149.04149	1.2
251.03520	1.7
296.07068	1.5
320.06891	2.0
322.04843	7.7
328.06027	1.0
337.07108	4.8
345.07690	4.3
347.05591	1.4
349.07166	1.1
374.04251	13.7
389.06674	23.6
400.02255	1.6
402.03848	10.6
415.04633	20.7
417.06195	45.5
417.11893	1.4
441.06033	1.1
447.07550	1.5
449.08820	100.0
449.13986	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	449.0881
Annotation	Gaboroquinone A
Peak:m/z	Relative Intensity
59.01369	1.0
68.99806	3.0
70.73721	0.6
79.15199	0.7
91.13869	0.6
92.19550	1.0
93.03446	1.7
94.99102	0.7
95.04870	0.6
153.01918	4.1
165.01924	2.6
167.03488	9.0
191.03522	1.0
227.03673	0.7
233.90919	0.7
238.02731	2.9
239.03413	0.9
243.02997	3.4
244.03729	1.2
254.02121	1.4
255.02985	1.0
256.03735	2.7
257.00931	2.8
257.04730	0.9
259.51852	0.7
267.03030	1.1
268.03778	4.2
269.04590	1.4
271.02597	6.0
272.03229	1.0
280.03778	0.9
281.04532	4.5
282.01718	4.4
285.00430	3.9
285.03995	1.1
295.06015	4.8
297.00287	1.1
299.01865	1.4
300.02747	4.6
305.04630	0.8
306.05493	0.8
307.06161	3.8
309.00974	0.8
310.01178	1.0
311.02304	0.9
313.03564	3.7
315.04962	1.3
319.06381	4.9
321.03998	1.0
327.01730	1.9
331.06097	0.9
335.05557	1.2
341.03009	7.9
347.05682	6.6
363.05194	4.6
373.03296	0.9
374.04395	3.8
375.05063	5.4
377.06747	1.1
391.04724	3.8
402.03873	4.1
403.04626	6.8
406.06952	1.1
417.06290	1.2
419.03940	1.4
421.09344	2.8
434.06415	1.1
449.08853	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	449.1094
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
59.01398	4.4
59.63955	2.5
66.96681	2.6
71.01398	2.8
90.87530	2.7
121.02935	18.2
122.03342	5.0
125.02462	45.0
135.04591	2.8
150.48631	3.1
151.00348	6.4
154.01440	16.1
155.01770	6.0
165.01950	30.8
178.99846	16.8
201.05482	3.2
202.84421	2.8
215.07135	13.3
243.06529	11.9
259.06116	100.0
269.04651	4.9
283.06055	11.6
287.02454	5.7
287.05612	86.6
301.07028	3.1
327.12158	4.4
421.11514	17.2
449.10959	27.7
449.20514	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	449.1091
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
50.52167	0.5
51.80596	0.4
54.32735	0.6
59.01369	1.3
62.89597	0.5
64.83830	0.6
65.00311	0.6
83.01363	1.2
92.19435	0.7
107.01383	5.2
114.12393	0.6
121.09928	0.6
125.02402	3.3
135.04524	46.1
150.65718	0.5
151.00368	100.0
152.29863	0.7
161.02379	0.8
213.33948	0.6
285.03964	1.3
286.04401	1.1
287.05630	40.4
287.13950	0.6
298.08151	0.7
319.62311	0.6
449.10858	36.4
449.24295	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	449.1094
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
54.10607	2.0
57.03465	2.5
59.01385	4.4
59.80412	2.1
61.98839	2.9
69.47694	2.5
75.48885	2.1
75.89607	2.1
77.70374	2.8
90.10228	2.2
120.40947	2.6
125.02447	85.4
149.02446	5.3
151.00385	13.9
153.01955	5.1
157.59117	2.4
161.54720	2.3
178.99831	17.3
201.05684	3.9
208.68765	2.7
243.06561	4.4
259.06131	78.5
269.04575	84.5
287.05707	36.0
293.78586	2.2
343.05045	2.9
449.05121	5.0
449.10931	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96007	0.8
56.12026	0.9
64.54448	0.9
64.82771	1.0
69.06039	0.9
81.67987	0.9
82.83865	0.8
105.85014	1.0
109.20210	0.9
121.02938	4.4
124.01660	23.1
139.03993	17.0
147.72325	0.9
166.99855	1.7
167.03619	1.2
168.00638	57.6
182.02336	1.2
183.02995	100.0
449.10919	34.3
449.17346	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	449.1095
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.13593	1.3
56.21946	1.4
56.45950	1.5
56.46990	1.4
59.01382	14.8
59.44392	1.3
65.00332	2.9
71.01389	2.6
81.52174	1.4
83.01393	6.2
101.02441	1.9
107.01380	14.6
125.02437	12.3
135.04504	2.7
151.00359	43.1
152.01157	26.9
161.04639	1.5
169.01500	1.9
173.69716	1.5
178.99875	32.4
180.00607	13.8
183.60796	1.5
225.05457	2.5
225.39650	1.5
231.18527	1.4
259.06134	8.8
269.04565	100.0
287.05576	6.3
287.64474	1.7
389.21771	3.2
416.70059	1.7
427.02985	1.6
449.10953	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.83646	0.8
58.56466	0.6
59.01384	37.7
65.00311	1.1
71.01379	11.9
73.02947	3.6
83.01401	3.1
85.02934	4.2
87.00879	1.6
87.85944	0.7
88.98805	1.2
89.02438	9.5
93.03460	10.7
95.01395	0.8
99.00871	1.6
101.02437	12.7
107.01376	7.6
108.02152	3.5
109.02944	4.0
113.02463	7.1
119.03480	1.5
119.04983	1.6
120.05431	0.7
121.02975	1.6
122.03265	0.8
123.04527	5.4
125.02458	8.3
135.04523	52.7
137.02440	27.4
143.03571	0.8
151.00366	100.0
151.04037	3.5
152.01163	10.1
153.01897	1.8
161.02448	3.8
161.04527	0.9
165.01907	1.4
167.03490	19.0
175.00403	7.6
175.04019	4.3
178.99866	1.0
179.05579	1.4
180.00609	3.7
181.01440	3.1
193.01387	2.8
199.04065	1.5
201.01947	1.1
207.13969	2.8
228.82904	0.9
251.13042	1.0
260.36691	0.8
269.04538	7.3
281.06674	4.5
284.03156	1.1
285.03870	4.1
286.04349	7.3
287.05630	80.6
311.07788	1.6
389.21796	18.5
449.10626	44.6
449.24353	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	449.1095
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.58501	0.8
56.09845	1.0
57.31808	0.8
59.01386	19.9
59.80369	0.8
63.90458	0.9
64.09771	1.0
72.65317	0.9
83.01385	1.3
89.02440	1.1
95.01369	1.6
106.76885	1.0
107.01375	1.7
109.02944	1.5
110.60521	1.0
124.01660	1.5
125.02446	57.4
137.02409	2.4
151.00336	8.3
152.01221	11.1
165.01910	6.4
178.99768	4.0
180.00635	4.3
199.07684	1.8
201.05624	9.1
215.07120	5.8
243.06650	14.2
259.06131	83.0
269.04575	6.6
287.05664	28.9
389.21841	4.6
449.10934	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83646	0.8
58.56466	0.6
59.01384	37.7
65.00311	1.1
71.01379	11.9
73.02947	3.6
83.01401	3.1
85.02934	4.2
87.00879	1.6
87.85944	0.7
88.98805	1.2
89.02438	9.5
93.03460	10.7
95.01395	0.8
99.00871	1.6
101.02437	12.7
107.01376	7.6
108.02152	3.5
109.02944	4.0
113.02463	7.1
119.03480	1.5
119.04983	1.6
120.05431	0.7
121.02975	1.6
122.03265	0.8
123.04527	5.4
125.02458	8.3
135.04523	52.7
137.02440	27.4
143.03571	0.8
151.00366	100.0
151.04037	3.5
152.01163	10.1
153.01897	1.8
161.02448	3.8
161.04527	0.9
165.01907	1.4
167.03490	19.0
175.00403	7.6
175.04019	4.3
178.99866	1.0
179.05579	1.4
180.00609	3.7
181.01440	3.1
193.01387	2.8
199.04065	1.5
201.01947	1.1
207.13969	2.8
228.82904	0.9
251.13042	1.0
260.36691	0.8
269.04538	7.3
281.06674	4.5
284.03156	1.1
285.03870	4.1
286.04349	7.3
287.05630	80.6
311.07788	1.6
389.21796	18.5
449.10626	44.6
449.24353	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	449.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
71.01382	0.7
71.83699	0.5
89.02436	0.7
97.24609	0.4
104.52198	0.5
106.36656	0.5
125.02417	0.7
140.67020	0.5
150.79089	0.5
153.00145	0.8
154.00931	1.8
169.03297	6.8
183.01295	1.7
184.01996	39.1
185.02756	11.2
197.02815	0.7
199.04350	100.0
220.07413	0.5
227.03790	0.6
287.05954	8.8
316.06256	2.6
340.10077	0.5
346.07309	8.9
348.05246	1.1
361.09625	21.1
447.88879	0.5
449.11288	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Auriculoside
Peak:m/z	Relative Intensity
59.01382	30.5
62.38576	1.0
64.05733	1.0
71.01380	11.3
71.19189	1.2
73.02940	4.9
85.02939	4.3
89.02460	12.0
90.79317	1.1
92.02652	1.3
93.03452	28.2
95.01343	1.3
101.02428	12.7
109.02945	6.6
113.02460	9.6
119.03495	2.1
119.24748	1.1
121.02969	1.3
134.03778	2.6
135.04524	14.5
136.01625	4.8
137.02443	83.4
149.06017	2.6
151.00410	1.2
151.04013	12.7
152.01149	1.2
153.01991	4.3
155.10693	4.3
164.25967	1.1
165.05569	4.6
167.07091	9.1
179.03470	16.6
203.07137	4.3
212.09006	1.0
239.05603	6.0
240.39795	1.2
269.17685	4.4
287.09268	4.7
287.18555	2.0
297.09769	2.7
300.35629	1.3
356.23862	1.3
359.20627	1.2
389.21918	2.2
449.14597	100.0
449.23981	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00994	1.2
57.64204	1.0
59.01387	28.9
69.62112	1.1
70.04124	1.2
71.01374	13.2
73.02931	2.1
75.00871	6.6
77.65263	1.2
77.78231	1.3
82.73473	1.2
83.01382	2.1
85.02948	2.4
89.02442	4.9
93.03458	13.1
101.02462	13.6
113.02439	7.1
122.03734	3.0
125.02445	1.3
135.04486	1.8
136.01514	1.4
137.02451	61.2
143.03435	1.3
167.07132	100.0
181.08629	2.1
212.47845	1.5
227.03467	5.3
228.03787	5.0
229.04005	5.1
230.05582	1.4
255.03047	14.3
256.03369	9.7
257.03629	16.4
259.73294	1.4
281.06686	65.8
284.03256	11.1
285.03781	12.3
286.03842	24.6
287.04691	4.4
302.03134	2.4
303.03955	1.7
389.21964	9.3
449.09787	46.5
449.14764	21.6
449.23965	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Trifochalcanoloside I
Peak:m/z	Relative Intensity
55.01869	0.5
59.01384	21.3
63.20458	0.5
67.44963	0.5
71.01377	4.1
73.02938	2.7
85.02940	2.2
87.00852	0.8
89.02432	3.1
93.03444	6.9
101.02421	6.7
107.01425	0.6
107.05107	0.6
113.02428	2.8
125.02393	0.9
126.25959	0.6
134.03732	2.8
135.04503	7.3
137.02452	10.9
138.03215	5.4
139.04008	2.9
151.00354	5.9
151.04013	8.2
152.01141	0.7
152.04736	2.7
153.05542	5.2
161.04459	0.6
164.01164	5.9
165.01924	12.6
175.02248	0.5
175.03917	0.7
178.02713	4.9
178.99936	0.9
179.03493	17.7
180.04262	2.9
181.05042	6.5
193.05074	4.1
211.07657	2.2
255.06647	2.2
269.04541	4.1
269.08109	2.4
272.06876	6.4
285.03989	1.3
286.04175	1.0
287.09250	100.0
389.21603	5.8
406.12134	0.7
449.09430	5.4
449.15311	1.3
449.24072	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	449.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55384	1.4
56.03956	1.3
59.01390	13.8
65.03969	3.7
71.01383	11.4
73.02940	2.4
80.02675	7.0
89.02456	2.6
91.05549	1.7
93.07076	6.2
99.21961	1.5
101.02437	2.4
102.84746	1.5
103.05540	50.9
106.04245	32.9
113.02470	2.7
119.04996	9.3
121.02955	100.0
121.06595	59.8
127.53951	1.4
135.04526	89.7
137.06068	1.6
163.03993	8.9
165.05582	61.6
172.31395	1.9
177.05554	5.7
178.06415	2.1
193.08723	2.2
196.90649	1.7
200.70309	2.0
246.62578	1.5
285.07574	1.7
292.76050	1.6
335.13666	1.5
342.14856	1.9
357.17294	2.7
449.14478	32.3
449.23972	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	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00994	1.2
57.64204	1.0
59.01387	28.9
69.62112	1.1
70.04124	1.2
71.01374	13.2
73.02931	2.1
75.00871	6.6
77.65263	1.2
77.78231	1.3
82.73473	1.2
83.01382	2.1
85.02948	2.4
89.02442	4.9
93.03458	13.1
101.02462	13.6
113.02439	7.1
122.03734	3.0
125.02445	1.3
135.04486	1.8
136.01514	1.4
137.02451	61.2
143.03435	1.3
167.07132	100.0
181.08629	2.1
212.47845	1.5
227.03467	5.3
228.03787	5.0
229.04005	5.1
230.05582	1.4
255.03047	14.3
256.03369	9.7
257.03629	16.4
259.73294	1.4
281.06686	65.8
284.03256	11.1
285.03781	12.3
286.03842	24.6
287.04691	4.4
302.03134	2.4
303.03955	1.7
389.21964	9.3
449.09787	46.5
449.14764	21.6
449.23965	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40259	32.3
56.28370	33.5
59.01381	85.3
59.72092	32.6
68.66368	41.4
81.38738	36.9
105.59766	38.7
106.18980	40.0
123.63107	37.2
161.02406	95.4
167.12170	38.6
193.60820	43.6
274.19852	51.1
348.92938	39.5
385.44165	44.3
449.25430	100.0
462.80469	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	1.6
59.01382	100.0
71.01380	52.1
73.02940	1.4
85.02944	8.3
86.51426	1.2
89.02441	79.7
89.29910	1.3
90.29879	1.2
91.41425	1.3
92.72421	1.2
93.03450	19.5
101.02429	9.7
104.03212	1.6
107.01409	1.8
113.02443	8.6
114.63232	1.8
119.04998	3.1
131.03482	8.5
135.04539	2.2
137.02443	28.5
147.04521	70.8
149.04544	29.1
151.00359	2.8
151.07625	5.4
152.01166	5.2
155.10735	2.6
173.57114	1.3
178.99919	1.7
269.04617	3.1
296.05350	2.5
311.07755	12.8
389.21570	5.6
449.10773	7.6
449.18021	7.9
449.23642	9.5
455.07993	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	449.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09381	1.9
54.31351	1.8
54.91689	1.8
56.54082	1.9
57.03442	2.4
59.01109	2.5
59.01383	48.5
59.59390	1.8
61.98827	4.5
71.01361	18.5
72.54832	2.0
73.02946	9.4
75.00871	15.8
80.96483	1.9
83.01398	3.0
85.02945	9.7
93.03430	2.0
101.02436	20.6
113.02396	4.3
125.02433	4.5
137.02422	10.2
168.00594	8.7
189.26747	2.2
190.92909	2.5
221.18944	2.1
287.22296	37.9
317.19690	2.8
431.26385	2.9
449.11389	12.5
449.19519	8.7
449.27768	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	449.1949
Annotation	CHEBI:67870
Peak:m/z	Relative Intensity
56.46997	2.7
56.69023	2.9
59.01371	8.0
60.19155	3.0
61.81227	3.6
79.35914	3.8
205.15961	8.4
207.17545	37.3
213.67532	3.3
216.20009	3.7
219.09779	3.4
225.18556	16.7
251.16553	100.0
271.32346	3.8
449.19659	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	449.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48810	10.4
57.51688	9.8
59.01396	79.8
205.15950	13.3
207.17554	66.7
208.22852	12.0
225.18781	14.4
251.16478	62.9
256.92545	11.3
343.94235	13.4
449.19452	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38243	0.9
54.68649	0.9
57.03455	1.4
59.01385	68.3
59.05832	0.9
59.81301	0.9
61.19773	1.2
71.01001	1.8
71.01383	29.0
71.53148	1.1
72.24182	1.1
72.99306	1.3
73.02956	1.2
76.77702	1.1
77.86445	1.1
81.03458	6.2
85.02946	2.4
87.27427	1.2
89.02444	36.3
95.01375	1.3
97.02980	1.4
99.04533	12.0
101.02448	22.7
107.08700	10.1
113.02440	11.1
115.04000	6.4
119.03485	12.3
119.87625	1.1
125.02433	6.4
143.03531	2.1
165.05519	1.2
178.99779	1.7
179.05606	6.0
189.12804	1.6
259.06165	13.9
269.13974	1.3
280.38181	1.2
287.05606	6.1
293.00131	1.4
449.10355	2.7
449.20282	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	449.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69028	1.7
59.01389	100.0
71.01387	66.3
73.02942	17.2
83.01411	3.2
85.02943	19.0
87.00879	5.2
89.02451	80.9
91.92004	2.1
95.01359	5.1
99.00871	3.1
101.02445	65.2
105.05847	1.9
113.02442	30.0
119.03500	27.5
119.05009	13.2
121.02970	38.8
125.02445	17.4
125.43362	2.3
131.03505	7.6
135.04556	17.6
137.02419	4.9
143.03500	4.7
146.03914	2.2
147.04497	11.2
161.04538	20.5
163.04031	3.8
179.05621	46.2
221.06686	16.0
287.09302	9.5
447.15421	2.2
449.10495	4.3
449.19830	18.4
449.24139	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01372	7.9
73.02927	4.4
74.69421	0.9
76.76480	0.9
82.36417	1.0
83.01398	1.0
85.02937	6.2
87.00906	1.1
89.02429	6.1
95.55411	1.0
101.02457	9.2
102.29099	0.9
113.02434	3.6
115.53458	1.0
121.02935	4.9
125.02427	5.0
135.04506	1.2
149.02495	1.2
161.04613	1.1
165.01938	4.1
174.30666	0.9
175.02461	1.3
184.64403	1.0
257.08194	1.8
287.05499	1.5
293.09225	1.3
389.21817	28.2
449.10614	5.1
449.19098	8.5
449.24780	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83685	1.6
56.10291	1.7
59.01384	100.0
61.98830	2.2
69.36423	1.9
70.33582	2.2
70.91167	2.1
71.01375	50.2
71.05019	4.1
73.02945	9.9
75.50253	1.8
81.03432	3.9
83.01398	2.8
85.02945	20.5
89.02433	46.0
95.01408	3.2
99.04485	2.6
101.02435	38.7
113.02444	28.8
115.04001	48.6
119.03518	16.7
151.85457	2.1
161.04543	12.6
166.77957	2.5
179.05626	9.1
193.16029	16.5
231.98769	2.1
237.14903	14.1
255.15965	16.8
259.59515	2.4
417.21338	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01884	1.8
59.01383	33.0
61.98830	6.5
67.06524	1.0
71.01374	32.0
73.02951	23.8
76.60384	1.0
83.01371	9.6
85.02961	17.6
87.00854	1.3
89.02444	12.1
92.19401	1.3
95.01395	1.7
95.48952	1.1
97.02944	1.9
99.00868	6.4
101.01804	1.8
101.02441	39.4
113.02434	17.7
119.03440	1.3
125.02437	1.6
125.92413	1.1
131.03484	1.5
161.04567	4.7
173.02200	1.2
261.63004	1.2
272.23111	1.2
317.19696	28.3
449.23895	100.0
451.23257	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	449.2544
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
53.17801	0.4
65.10323	0.4
67.08603	0.4
72.08350	0.4
98.96446	0.5
117.03441	0.7
133.02942	5.8
134.03697	0.6
135.04492	3.3
161.02429	100.0
179.03494	2.8
202.98509	0.6
256.03967	0.6
287.22256	21.3
292.67828	0.5
372.13293	0.6
397.68066	0.5
431.24472	3.3
449.25452	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.255
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
57.85225	1.5
62.26036	1.2
74.82578	1.4
75.94816	1.2
82.08730	1.2
103.02567	1.3
121.02921	1.4
133.02948	2.8
149.02441	5.6
149.73750	1.4
151.03999	6.5
151.57646	1.3
166.84909	1.5
177.01930	100.0
179.30061	1.4
180.20476	1.7
195.02948	1.6
200.65018	1.6
214.62032	1.7
256.19107	1.6
271.22824	15.2
322.58591	1.9
363.84503	1.8
431.24243	2.4
449.25464	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01871	0.7
55.68947	0.6
59.01381	9.5
60.62534	0.7
71.01377	6.7
71.65837	0.6
73.02946	3.2
81.82128	0.7
83.01395	1.5
85.02949	4.4
87.00867	1.0
89.02390	0.9
101.02441	7.7
113.02438	3.4
125.02441	0.9
188.54239	0.7
253.92244	0.7
269.21143	1.5
287.22293	34.2
431.26602	4.6
449.27609	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	449.2759
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01867	0.8
57.03460	0.9
59.01384	19.4
61.98848	0.6
66.18544	0.7
66.18920	0.6
67.47790	0.5
71.01376	13.9
73.02940	14.3
73.03278	0.8
83.01412	2.9
83.05054	0.6
85.02940	7.7
87.00879	1.0
89.02464	3.7
92.19991	0.8
99.00890	3.1
101.02425	10.7
101.03004	0.5
101.13938	0.6
113.02434	6.9
119.03556	1.0
125.02463	1.2
153.09276	0.9
161.04561	0.8
169.01416	0.6
169.05148	0.7
179.10811	0.9
183.19870	0.6
221.11859	1.4
227.12943	1.4
249.58202	0.6
255.15926	0.8
269.21222	4.4
273.56708	0.7
287.18997	3.3
287.22269	47.8
386.92844	0.7
389.22018	1.1
431.26382	2.4
449.19711	3.7
449.27707	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	449.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.7
59.01383	13.6
59.54284	0.5
63.80779	0.5
64.82116	0.6
71.01386	7.8
72.99304	0.6
73.02927	2.4
83.01369	1.3
85.02953	3.0
87.00886	1.0
88.67493	0.5
89.02438	4.2
92.19469	0.7
101.02445	9.0
113.02456	4.5
125.02395	0.8
164.99733	0.5
269.21243	5.1
287.22290	57.1
431.26651	2.8
449.27615	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	449.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	99.7
71.01380	42.9
81.76395	4.0
85.02960	7.4
88.19484	3.2
88.98848	3.6
89.02444	62.5
101.02462	28.2
109.40456	3.2
110.04362	3.5
113.02463	14.6
114.06797	3.7
119.03490	21.1
167.44965	3.5
176.35222	3.2
179.05696	14.0
179.36307	3.4
209.19099	8.2
223.20554	12.9
234.73737	3.7
269.21283	100.0
269.24030	4.6
295.77402	3.5
317.19888	3.7
433.39758	4.0
449.12308	17.2
449.28333	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
59.01384	60.2
59.40854	0.6
61.98821	0.7
71.01382	12.2
73.02952	7.0
73.03288	0.8
83.01389	3.6
85.02946	7.1
85.50881	0.7
89.02430	1.4
92.52230	0.7
95.01366	1.0
99.00892	1.7
101.02437	18.0
111.00894	0.8
113.02450	6.2
161.04639	0.8
269.17484	1.4
287.18634	0.9
389.25848	1.0
431.26291	1.6
449.08926	1.8
449.27634	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	449.2911
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
50.64042	2.5
52.64102	4.0
59.01358	4.1
66.44649	2.8
71.00474	4.0
81.03460	5.3
90.63185	3.4
119.30383	3.7
120.00333	3.4
125.02455	5.5
189.54628	4.0
206.59296	4.4
387.28842	4.3
405.30029	6.3
449.29160	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	449.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.0
66.15868	0.8
190.22769	0.8
196.70468	0.9
206.89413	1.0
245.29630	1.0
255.23311	100.0
267.95654	1.0
281.24875	8.1
316.40305	1.0
396.17361	1.0
449.27072	1.5
449.33206	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	449.3276
Annotation	3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
57.03435	1.4
65.47630	0.9
69.06649	0.8
75.42634	0.9
75.68438	1.0
95.05033	1.8
111.00880	8.9
111.04518	1.1
114.95063	1.0
119.05011	1.2
119.29226	1.1
120.05751	1.3
121.06580	7.1
123.04523	16.7
124.05291	9.1
130.60658	0.9
137.06084	2.4
156.04282	6.5
165.85623	1.1
265.25330	1.9
387.32739	28.6
389.30710	1.8
403.32333	2.3
405.33777	56.4
421.33337	5.3
449.32773	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	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26255	0.5
59.01386	41.9
60.01710	6.0
61.01820	1.1
61.87334	0.5
61.98836	100.0
66.68610	0.5
71.01384	9.0
72.01720	1.0
73.02950	1.0
85.02959	3.3
89.02436	10.1
90.02790	1.0
92.19440	1.1
101.02444	10.1
102.02782	2.6
113.02430	5.1
114.02779	0.7
116.33370	0.5
119.03473	3.1
120.47449	0.6
143.03413	0.8
148.65187	0.5
161.04483	1.0
162.04912	0.6
179.05614	0.7
208.14247	0.6
244.07120	0.9
261.43661	0.6
389.21631	5.1
390.22189	37.9
450.25113	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
59.01386	23.1
60.01713	2.0
61.98834	100.0
65.51272	0.9
67.30792	0.8
71.01375	7.7
72.16312	0.8
73.02966	1.1
85.02965	1.8
89.02435	5.1
92.20088	1.6
98.62766	1.0
101.02454	6.5
103.02993	1.0
113.02413	1.2
116.33652	1.1
119.03493	1.4
129.66704	1.0
232.92207	1.0
390.22214	7.4
401.28854	1.1
450.24335	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48909	0.7
59.01385	35.4
60.01717	2.0
61.98836	100.0
67.29125	0.8
67.32240	0.8
71.01376	5.7
74.77639	0.7
85.02935	1.5
89.02448	7.8
92.20103	1.8
101.02440	5.7
103.47057	0.8
113.02421	3.6
119.03489	3.8
131.48125	0.8
161.04597	1.0
251.76894	0.9
389.21463	3.6
390.22141	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	450.263
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
50.55672	0.2
70.96838	0.3
78.63324	0.3
78.95899	2.2
79.71675	0.2
81.86890	0.3
140.01175	1.2
196.03816	1.3
214.04904	2.2
253.21733	100.0
318.49277	0.4
353.50266	0.3
406.63776	0.4
450.26303	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	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.8
59.01387	15.0
61.87593	0.8
64.56559	0.7
71.01383	8.8
81.03453	1.3
85.02948	1.5
89.02440	9.4
89.21035	0.7
92.20129	1.0
93.03442	4.8
95.01397	1.2
97.02953	1.3
99.04504	1.0
101.02440	3.8
104.35233	0.8
109.02931	2.8
113.02430	1.6
119.03511	3.5
123.00880	3.4
124.01676	8.4
125.02434	36.8
137.02448	25.1
147.04553	1.7
149.99594	25.7
151.00340	3.5
151.04004	1.3
156.06808	0.8
165.01920	0.9
167.03474	3.4
168.00639	80.4
169.01413	6.2
177.01982	1.0
179.03500	1.1
209.04414	1.0
245.08173	1.0
281.06738	4.8
289.07288	1.0
313.05756	1.8
331.06674	8.5
332.90866	0.8
350.97098	0.8
378.65027	0.8
433.07773	1.4
451.08856	100.0
451.21802	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	451.1038
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
51.01377	0.9
59.01392	18.2
61.89317	1.2
61.92619	1.3
67.74524	0.9
71.01372	5.1
73.02934	1.1
74.96976	1.2
87.35121	1.1
89.02457	1.6
93.03458	2.3
97.02979	1.0
97.24606	1.2
101.02443	2.0
109.02937	15.2
111.04510	4.9
119.05003	5.4
123.04536	6.5
125.02435	14.3
137.02464	5.8
139.04012	8.7
145.02977	5.9
151.04025	4.5
161.02460	5.4
162.03168	1.0
163.04008	2.6
165.01907	2.2
167.03452	2.3
175.04039	2.0
177.01979	13.8
179.03516	6.7
189.01958	25.4
190.02776	1.3
191.03397	3.9
202.28429	1.2
203.03575	2.5
203.07167	7.4
205.05154	8.0
213.05563	2.5
216.00595	2.2
217.01431	44.6
219.02983	5.9
227.07005	1.5
229.05046	1.2
231.02879	10.7
245.08157	14.7
269.04510	1.5
271.06235	3.9
283.06058	4.1
288.10056	6.4
289.07239	29.4
311.05643	18.7
315.05182	5.4
327.08606	1.2
341.06720	18.1
357.06192	15.6
391.22849	2.4
436.00742	1.3
451.10464	100.0
451.15765	5.7
451.21228	6.3
451.26498	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	451.1039
Annotation	9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
Peak:m/z	Relative Intensity
61.04084	0.9
81.03461	1.1
83.01385	1.5
90.51224	0.9
95.04993	2.7
97.02930	6.6
98.61926	1.2
109.02944	21.1
115.47684	1.0
121.02922	2.0
123.04513	11.0
125.02438	24.3
135.04527	1.7
137.02448	20.8
139.04039	3.7
147.04422	1.2
149.02423	9.7
151.04048	15.0
159.04509	1.9
161.01347	1.4
161.02457	22.5
161.06059	8.0
162.03166	7.4
163.00282	1.4
163.04005	1.8
164.01132	2.3
165.01862	7.0
167.03424	4.9
175.03960	7.2
179.03503	17.3
187.04007	6.7
188.04707	5.9
199.07562	1.1
201.05440	1.5
202.06287	2.5
203.07140	27.7
205.01340	4.8
205.05084	26.0
221.08127	5.2
227.07007	1.8
231.02902	1.8
238.22905	1.2
245.04504	2.2
245.05511	1.5
245.08205	45.7
247.06018	1.9
271.06244	2.2
289.07199	100.0
299.05405	1.4
331.08179	17.1
451.10358	73.1
475.84570	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	451.1037
Annotation	cinchonain Id
Peak:m/z	Relative Intensity
59.01382	14.2
70.32362	1.7
71.01373	2.5
73.02978	1.9
80.54997	1.5
86.25970	1.7
89.02431	3.4
93.03422	2.7
95.42149	1.6
109.02972	16.3
111.04482	10.6
123.04510	2.8
125.02450	14.9
137.02400	2.4
137.19054	1.6
139.04004	22.8
145.02907	4.0
145.08665	3.3
149.02434	2.6
151.03967	7.7
159.10306	2.9
161.02429	4.2
167.03448	9.1
174.06502	2.0
177.01927	40.4
179.03528	3.4
184.59883	1.8
187.03918	3.0
189.01961	34.7
189.99658	2.2
190.02736	12.2
191.03497	6.7
203.03508	6.4
216.00575	11.2
217.01411	67.7
217.08656	2.8
219.03001	15.0
229.04965	2.0
231.03035	12.9
241.08864	2.0
269.04553	2.6
271.06033	7.4
281.04556	7.8
283.06165	7.3
287.05429	2.4
289.06967	3.8
299.05832	2.7
311.05466	27.2
341.06705	54.8
357.06213	34.5
368.74405	2.2
435.57269	1.7
451.10367	100.0
451.20743	5.1
451.26038	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	451.1041
Annotation	9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
Peak:m/z	Relative Intensity
57.03452	1.3
67.93640	1.0
81.03465	1.2
83.01398	1.6
95.04998	1.8
97.02934	4.6
109.02962	18.6
121.02959	1.8
123.04550	11.5
125.02450	27.2
133.02950	2.2
135.04486	1.7
137.02457	22.1
139.03995	2.8
149.02415	5.7
151.04042	12.2
160.05229	1.3
161.02455	26.3
161.06061	7.0
162.03217	7.1
163.00414	2.3
163.03958	1.8
164.01144	5.5
165.01929	6.3
167.03462	4.5
175.04018	10.2
175.07854	1.5
179.03482	17.5
187.04015	4.8
188.04784	4.6
201.05540	2.4
203.03651	2.1
203.07182	27.9
205.01343	4.9
205.05086	22.1
215.06958	1.3
217.05038	1.4
221.08170	4.6
227.07123	2.8
240.76619	1.2
245.04390	4.5
245.05479	1.8
245.08197	42.1
247.06218	1.8
271.06049	2.0
289.07196	100.0
299.05475	4.6
329.06619	1.4
451.10367	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Aspalathin
Peak:m/z	Relative Intensity
52.09428	1.5
58.78621	1.9
61.98830	2.0
69.33681	1.4
72.52586	1.4
78.55192	1.4
81.03454	8.2
92.19479	1.4
95.04994	1.9
97.02954	1.6
109.02946	7.6
123.04546	12.5
125.02420	27.5
135.04518	3.1
137.02478	2.0
137.06110	5.6
165.05574	7.4
167.03493	100.0
168.20895	1.6
179.03510	8.3
181.05069	2.4
187.03984	2.2
187.95949	1.6
197.04497	10.9
203.07399	1.6
209.04555	64.0
221.04503	8.0
239.05602	8.9
273.07675	3.7
289.07272	5.3
331.08258	98.0
333.31339	2.0
361.09283	17.8
395.42862	2.0
433.11227	2.0
451.12823	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	451.1247
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.53729	1.4
65.01414	1.1
68.64376	1.2
69.14928	1.3
71.93525	1.1
78.37135	1.2
81.03476	2.2
83.01395	1.5
92.19514	2.4
94.76054	1.4
95.05008	2.0
97.02963	8.5
102.95634	1.2
109.02958	27.4
121.02990	2.7
122.03725	2.5
123.04518	17.7
125.02447	25.8
137.02440	30.6
137.03479	1.5
139.04076	5.2
146.39035	1.6
149.02501	7.3
151.04013	14.9
159.04596	1.4
161.02444	13.9
161.06160	7.6
162.03212	2.1
163.04073	2.1
164.01231	2.5
165.01924	14.1
167.03537	6.1
171.93932	1.3
175.04100	7.5
175.07764	1.6
176.89035	1.3
179.03494	11.5
183.26717	1.4
186.06982	1.4
187.04047	8.3
188.04832	7.8
202.06384	7.0
203.07182	33.4
205.01476	2.4
205.05035	26.0
217.08765	2.2
221.08257	7.9
227.07220	3.2
230.05939	1.3
245.08179	53.7
247.06145	1.5
271.06332	2.5
289.07196	100.0
451.12189	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89366	1.1
59.01382	7.7
71.01380	2.6
75.00856	1.9
81.03460	1.5
85.02934	2.0
89.02441	6.8
97.02966	6.9
97.62500	1.4
103.00377	6.0
109.02935	23.3
111.00854	10.8
121.02944	2.4
122.03752	2.1
123.04514	12.3
125.02443	27.3
135.04469	1.3
137.02434	33.0
139.04019	7.4
149.02428	11.2
151.00372	9.4
151.04008	19.3
155.08598	1.4
161.00952	6.0
161.02351	3.4
161.06093	7.4
163.04007	1.7
164.01157	2.5
165.01930	15.4
167.03471	2.7
175.04028	5.8
175.07715	1.2
179.03488	17.3
187.04071	7.6
188.04834	7.8
191.05635	11.5
199.07646	1.5
202.06348	2.0
203.07169	31.6
205.05080	18.4
217.05016	1.4
221.08191	11.3
227.07166	4.9
231.02922	1.5
239.79248	1.2
245.08186	53.3
247.06194	4.6
267.66608	1.3
271.06332	2.5
272.24762	1.2
289.07190	93.5
414.15701	1.2
451.12570	100.0
451.22141	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	451.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62486	1.0
56.22260	1.0
64.83988	1.3
83.01381	1.4
85.02943	5.9
93.99692	1.2
95.05053	1.5
97.02926	1.8
97.87809	1.4
109.02953	21.5
111.00891	1.7
123.04491	13.7
125.02421	19.3
135.04543	1.8
137.02454	22.7
139.03972	2.3
149.02443	6.7
151.03984	11.1
161.02422	10.0
161.06064	3.2
162.03235	2.7
164.01138	3.0
165.01964	13.6
167.03500	3.1
175.04002	1.6
179.03517	9.4
187.04015	5.8
188.04817	5.3
189.01874	2.1
203.03529	1.3
203.07147	27.7
205.05040	16.9
221.08153	3.1
227.07120	3.3
245.08179	37.7
245.40944	1.5
282.07791	1.8
289.07196	100.0
316.86929	1.6
451.07138	1.9
451.12680	33.5
462.55875	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	451.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47546	1.2
56.53732	1.1
90.67615	1.2
96.26208	1.3
97.02955	2.3
109.02943	19.2
121.02912	1.3
123.04505	8.0
125.02443	21.7
132.36662	1.3
137.02452	20.4
139.04031	3.0
145.05740	1.2
149.02438	7.8
151.04054	8.8
161.06078	2.1
164.01271	1.3
165.01895	5.1
167.03546	1.5
179.03555	11.3
187.03989	5.9
202.06514	1.9
203.07193	15.0
205.05069	14.0
221.08168	2.1
227.07213	2.6
233.44894	1.3
245.08165	27.6
251.71292	1.6
289.07193	100.0
451.12659	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	451.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10467	0.8
52.92476	0.8
55.66973	0.9
56.13032	0.8
59.01371	1.5
72.43600	0.9
74.02482	3.7
85.02957	0.8
86.52531	1.0
89.67397	0.8
92.20145	0.8
100.00413	4.2
137.85159	0.9
247.09886	1.0
302.12109	0.9
317.14288	3.3
319.15564	1.5
320.07507	29.6
323.11029	1.7
324.10645	7.7
334.09219	11.2
335.09860	55.0
349.11273	1.1
350.12216	74.6
359.14075	4.0
377.09735	3.8
392.12128	12.5
392.16696	1.3
407.14352	9.2
451.13440	100.0
451.19504	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	451.138
Annotation	Kompasinol A
Peak:m/z	Relative Intensity
51.29810	3.8
54.26519	4.9
57.59105	4.5
59.01379	51.6
71.01378	19.0
82.15298	4.8
89.02441	35.5
89.51100	5.0
101.02427	30.0
113.02461	6.2
119.03484	9.5
149.04530	8.0
162.43285	5.4
167.03465	29.2
209.04536	19.7
229.59030	4.9
231.50587	4.7
331.08136	33.7
415.16138	42.5
451.13904	100.0
451.21375	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1396
Annotation	Kompasinol A
Peak:m/z	Relative Intensity
51.02527	0.7
61.42488	0.8
62.10178	0.8
71.54077	1.0
85.02949	100.0
87.62173	0.8
94.73054	0.8
109.02938	3.1
111.00870	31.7
125.02430	3.6
129.00963	1.7
129.01935	48.5
137.02412	4.7
146.08249	12.9
149.02371	0.9
151.04016	1.0
154.99876	3.9
164.01202	1.6
165.01883	3.3
173.00911	23.2
195.03038	1.0
197.90083	0.9
203.07172	1.2
217.11922	3.3
245.08247	3.3
252.92041	0.9
271.06058	3.2
277.12247	8.5
289.07343	8.6
322.94125	0.9
351.94080	0.9
397.34546	0.9
433.24811	0.8
445.34595	0.9
451.13940	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38174	0.7
55.32016	0.6
59.01387	1.2
59.30965	0.7
70.02989	0.8
71.05028	1.2
85.02949	100.0
87.05624	0.9
89.02448	0.9
90.78338	0.7
92.20019	1.5
98.77299	0.9
103.00411	1.1
109.02986	1.4
111.00880	25.2
125.02439	1.4
129.01939	52.7
130.03299	1.1
137.02443	1.2
139.03993	1.1
146.08240	9.7
154.99849	3.9
168.48073	0.9
173.00902	28.6
189.01944	1.0
191.05608	3.0
201.03986	0.9
217.11961	1.7
277.12338	10.6
289.07260	4.0
311.05884	0.9
341.31781	0.9
407.15140	1.2
451.14059	47.5
457.68341	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	451.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80264	1.3
56.88991	1.2
59.01387	26.2
64.19231	1.3
64.54815	1.3
71.01389	1.9
83.01421	3.2
85.02950	1.4
86.86529	1.8
92.19371	1.5
97.02956	3.5
106.85063	1.5
108.02162	5.4
108.21388	1.5
109.02953	37.2
109.03660	1.9
110.11072	1.7
121.02976	3.0
122.03753	7.1
123.04515	26.3
125.02448	15.1
134.03766	15.1
135.04536	2.0
137.02464	25.6
138.03278	1.7
139.04016	10.8
147.04564	1.8
149.02422	17.4
149.06050	16.1
151.04005	23.3
159.04500	1.7
160.05305	1.7
161.02458	2.9
161.06017	11.0
161.75609	1.4
162.03168	2.3
163.04066	8.5
164.01155	2.8
165.01875	15.8
166.02740	1.5
167.03435	2.5
175.04013	3.2
177.01918	3.5
177.05684	2.0
178.92230	1.6
179.03552	10.8
186.06859	1.8
187.04033	7.0
188.04808	7.7
191.03569	9.7
202.06396	3.1
203.07187	22.0
205.05077	24.3
213.05644	5.5
215.07181	18.7
221.08322	1.8
227.07210	2.2
243.02951	2.2
245.08232	20.6
247.06104	3.3
257.04587	3.4
257.08392	2.6
271.02521	1.7
271.09857	2.0
282.01923	1.7
283.02606	2.2
289.07208	48.8
301.07184	34.1
315.05173	18.4
315.08725	4.0
451.14127	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	451.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49987	1.2
59.01383	19.6
71.01402	1.8
73.02943	2.1
80.23739	1.6
81.97455	1.4
88.65977	1.5
88.72279	1.5
95.04978	1.6
95.57314	1.5
97.02967	6.5
108.02153	1.9
109.02943	30.6
115.95745	1.6
121.02959	6.2
122.03773	6.0
123.04528	23.5
125.02435	22.3
134.03764	13.1
135.04526	3.3
137.02454	27.3
138.03284	1.4
139.04057	6.2
146.71678	1.4
147.04607	1.7
149.02399	16.3
149.06085	16.1
151.03995	21.4
156.38589	1.5
159.04535	1.9
161.02522	2.9
161.06097	5.7
162.03331	1.9
163.04025	6.6
164.01147	5.5
165.01907	16.2
168.00630	5.6
175.04074	3.7
177.01932	2.5
178.02765	3.7
179.03508	10.8
187.04008	5.6
188.04785	6.1
191.03583	3.7
195.96297	1.6
202.06427	2.1
203.07164	20.4
205.05077	20.7
213.05624	6.7
215.07159	18.2
221.08247	2.4
245.08199	19.1
247.06137	3.2
249.82480	1.4
257.08261	3.6
271.06171	1.7
271.09830	2.7
283.06256	1.6
287.09781	1.6
289.07193	38.6
301.07187	33.3
305.88666	2.2
315.08719	3.6
451.08963	5.2
451.14194	100.0
451.21155	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	451.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29742	1.7
53.79461	1.5
59.01381	16.8
62.52808	1.8
83.01382	3.2
90.90399	1.7
97.02950	8.6
107.47639	1.8
109.02958	35.3
121.02965	6.6
122.03712	4.4
123.04524	15.0
123.13343	1.7
125.02383	12.8
134.03761	18.8
135.04504	1.7
137.02460	19.9
139.03976	9.2
139.48473	1.7
140.67552	1.9
147.04552	3.0
149.02438	16.5
149.06090	15.4
151.04002	21.1
159.04494	2.4
161.02431	7.1
161.06070	11.8
163.03983	7.2
164.01180	2.6
165.01912	13.6
167.03442	2.0
172.05052	1.9
175.07709	2.0
177.01936	2.1
178.02747	1.8
179.03477	10.4
187.03990	4.2
188.04707	6.7
191.03587	6.5
202.06375	2.4
203.07185	19.5
205.05109	20.3
213.05562	3.6
215.07152	14.1
220.93718	2.2
221.11826	4.1
236.40657	1.9
245.08165	17.2
257.08218	3.0
289.07214	43.0
301.07196	34.4
315.08862	7.1
407.14990	2.3
451.13989	100.0
451.20364	4.0
479.10724	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	451.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27838	1.3
52.44391	1.4
59.01386	9.5
59.74538	1.2
69.97511	1.5
81.65031	1.6
83.01383	3.2
87.87650	1.7
95.05065	1.8
97.02963	3.1
101.02437	1.7
109.02959	30.1
116.34342	1.7
121.02953	3.0
122.03771	3.3
123.04521	17.5
125.02448	12.5
134.03766	14.1
135.04570	3.7
137.02443	22.7
139.04031	10.8
149.02405	12.2
149.06082	13.8
151.04033	19.4
159.04515	2.3
161.02420	6.0
161.06090	8.4
163.03998	3.7
165.01944	12.0
165.05583	1.7
175.04030	1.5
179.03468	12.1
187.03993	3.7
191.03546	3.6
202.06415	3.0
203.07188	18.5
205.05104	18.7
213.05591	3.0
215.07147	12.9
227.07092	2.1
228.82341	1.5
231.02974	1.9
245.08186	18.1
247.06117	3.2
287.09171	2.0
289.07187	41.1
289.10403	1.7
301.07199	29.8
303.11508	1.9
315.08902	6.6
451.14154	100.0
461.68649	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	451.1977
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
59.01382	25.6
71.01376	16.3
85.02941	1.2
89.01962	1.2
89.02439	15.0
115.03954	0.9
118.47325	0.7
125.87177	0.7
128.95778	0.7
135.04541	1.8
148.71066	0.7
151.04010	1.2
191.10849	1.0
203.10808	0.8
205.12383	4.3
228.07935	1.4
245.12039	1.0
271.13583	1.3
276.10004	1.0
283.13394	0.8
289.14395	1.1
301.14502	5.9
319.15524	38.7
319.19257	1.5
381.76620	0.7
408.14203	0.9
415.74323	0.8
451.19772	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	451.1975
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
53.85800	0.5
59.01387	22.6
60.03545	0.5
71.01380	16.8
71.31361	0.7
73.02966	1.1
85.02949	3.8
89.02439	12.0
101.02435	1.3
107.05012	0.6
113.02464	0.8
113.98451	0.7
135.04507	1.1
135.08154	1.1
151.04071	1.0
155.89020	0.6
205.12334	3.1
228.07780	2.2
229.12361	1.0
245.11989	0.8
271.13483	1.3
274.09979	0.7
276.09912	2.4
283.13470	1.3
289.14560	1.2
301.14462	4.3
319.15518	45.3
408.14365	2.5
451.19785	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50613	0.8
55.01886	1.0
59.01383	49.5
61.98827	1.0
66.64220	0.7
69.03458	1.4
71.01377	19.2
73.02946	1.4
81.03457	3.6
85.02946	5.2
89.02441	26.3
95.01396	1.4
99.04515	6.7
101.02437	30.7
112.62105	0.8
113.02429	11.2
115.03998	5.3
119.03468	7.2
131.03487	4.1
150.03171	1.0
155.85313	0.9
164.04878	0.8
165.05547	1.8
165.12888	1.4
179.05571	3.2
195.06567	1.3
201.70926	0.8
211.54024	0.9
235.13472	1.5
253.14404	1.6
256.01068	0.9
271.15515	3.4
336.06238	0.9
433.20633	1.2
451.21890	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	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.0
58.00599	1.3
59.01387	52.6
69.03455	1.3
71.01385	23.4
72.54366	0.7
72.99275	1.0
73.02920	1.0
81.03462	6.4
83.01388	0.9
85.02953	3.6
89.02443	34.0
91.22800	0.8
92.20096	1.6
97.06604	2.5
99.04535	6.2
101.02440	18.1
113.02436	9.9
115.04019	3.7
119.03506	9.1
133.10187	6.7
143.03514	1.0
151.11234	3.4
161.04601	1.4
177.09235	0.9
179.05617	3.1
209.15504	2.9
212.34474	0.8
235.13507	2.6
243.40953	0.8
262.51886	0.8
271.15652	3.0
282.79282	0.8
451.21884	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	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68874	1.0
59.01386	51.3
71.01054	1.3
71.01388	21.7
71.05016	2.6
73.02959	1.3
75.87357	1.0
81.03455	6.8
85.02939	2.6
89.02436	27.6
97.10780	1.0
99.04543	8.0
101.02432	14.0
113.02453	8.1
114.42269	1.1
115.03982	6.0
119.03508	8.8
119.08640	7.9
121.86714	1.1
137.09760	8.4
161.27159	1.0
163.07607	1.7
169.76089	1.1
179.05666	2.4
179.56688	1.0
182.23120	1.4
186.08162	1.0
209.15472	1.5
271.65652	1.2
277.33096	1.1
286.58191	1.3
422.83530	1.2
451.21875	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	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.3
59.01384	56.6
69.03458	4.7
71.01003	1.2
71.01378	22.5
81.03448	9.0
83.01418	1.2
85.02949	3.5
89.02439	29.3
92.20077	3.2
97.02950	1.5
99.04506	10.3
101.02428	22.3
109.06570	2.2
113.02431	10.7
115.04014	1.6
116.45065	0.9
119.03490	9.8
121.06569	0.9
123.08186	3.7
123.11768	0.9
143.03471	1.4
152.02798	1.0
171.24075	0.9
174.66115	0.9
179.05612	1.5
184.80586	0.9
191.14378	3.4
242.14748	0.9
451.21860	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	451.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03436	2.2
59.01383	53.4
71.01378	63.7
73.02935	30.4
83.01389	12.0
85.02949	42.7
89.02435	14.1
92.19522	3.9
95.01397	8.7
95.11632	2.4
99.00885	10.0
101.02444	64.2
113.02452	31.7
125.02468	3.9
143.03548	3.0
161.04535	18.5
167.03497	2.7
245.95090	2.2
288.80142	2.5
289.16592	19.5
424.23929	2.1
451.21729	100.0
478.49457	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	451.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54414	0.2
57.03449	4.3
57.97680	0.2
59.01379	0.6
60.74648	0.3
71.91633	0.3
83.53229	0.3
91.64143	0.2
97.07245	0.3
120.77733	0.2
125.02436	100.0
131.59366	0.3
170.33263	0.2
274.82541	0.2
319.15369	1.1
388.03882	0.2
405.14014	0.3
433.22415	0.4
451.23840	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	451.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52511	0.8
59.01384	100.0
71.01373	1.2
88.83835	0.9
97.02879	1.1
103.34392	0.8
103.93597	0.9
109.02938	4.2
123.04528	3.3
131.80551	0.9
137.02441	1.3
139.04022	1.2
149.02414	1.0
149.06107	1.3
151.04019	3.8
155.13089	0.8
203.07111	1.3
205.05078	1.3
215.07109	1.4
245.08185	1.3
289.07162	4.1
301.07190	4.1
315.08694	1.2
328.35788	0.9
451.14053	12.4
451.21460	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	451.2705
Annotation	Briarellin P
Peak:m/z	Relative Intensity
51.35805	1.3
59.01379	6.3
80.65418	1.6
83.05017	1.8
87.70693	1.5
125.02427	2.1
168.82248	1.6
174.01680	17.7
180.70453	1.7
182.48592	1.5
203.14429	2.4
211.13387	9.7
213.14966	3.5
239.16502	7.3
243.17578	1.8
247.13446	3.3
276.73340	1.8
278.64124	1.9
285.43915	1.7
287.23883	2.9
288.23199	1.8
297.22250	6.5
305.24942	3.3
313.21741	3.6
315.23380	12.2
323.20444	2.2
331.22778	6.4
333.24362	7.5
341.21191	11.8
359.22299	20.7
377.23380	31.9
393.23117	2.0
396.01782	1.7
451.27097	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	451.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
63.56876	1.2
86.96198	1.6
111.04465	1.9
118.18374	1.7
132.63002	1.6
155.03468	1.8
173.04529	6.7
174.13284	1.6
191.04350	1.5
277.21732	100.0
451.26712	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	451.2704
Annotation	Briarellin P
Peak:m/z	Relative Intensity
59.01366	1.2
60.13802	0.9
60.99310	2.5
63.86781	1.0
67.01892	11.0
68.12149	1.0
68.86878	1.1
69.03448	2.2
71.01371	1.6
78.48920	0.9
81.03461	1.7
82.47176	1.0
83.05054	1.3
87.00876	20.0
93.03452	97.8
111.04509	16.0
111.91373	1.0
113.02473	1.2
129.01880	2.4
155.03543	5.1
173.04543	31.8
191.05620	20.9
192.08986	1.1
277.21768	11.6
393.60614	1.1
451.27048	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	452.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28303	1.1
59.01389	1.3
61.25898	1.1
61.98837	100.0
87.73710	1.3
154.08891	1.9
170.24606	1.2
173.11435	1.6
197.85611	1.3
271.65082	1.8
276.21246	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	452.183
Annotation	Physarochrome A
Peak:m/z	Relative Intensity
57.23795	0.6
59.01385	6.7
61.32966	0.7
61.98835	9.3
62.31774	0.7
87.48394	0.9
92.19447	0.8
115.94115	0.7
162.05598	6.3
197.58211	0.8
213.71266	0.8
242.11781	1.6
254.06775	1.1
255.07718	3.2
256.08551	24.0
270.10123	1.4
279.01154	0.8
283.10934	10.7
284.11700	7.0
285.12448	100.0
351.12122	1.4
358.06329	1.0
365.14151	1.2
365.18729	4.3
380.16226	8.2
391.16550	1.8
392.16064	3.7
408.19257	9.5
434.17151	7.6
452.18329	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22854	1.2
51.88436	1.4
52.51257	1.3
59.01110	2.7
59.01387	47.4
60.01715	6.3
61.98513	2.8
61.98833	65.3
69.03450	2.4
71.01383	18.5
71.84273	1.5
72.99342	2.0
81.03449	3.1
83.78957	1.5
84.72502	1.5
85.02931	2.1
89.02426	22.6
90.02757	3.3
99.04508	8.3
101.02441	16.2
102.02784	3.3
113.02420	8.8
114.02816	2.0
119.03482	9.8
125.02413	2.5
168.00664	3.2
192.14662	2.8
225.87323	1.7
265.27597	1.8
272.15787	1.7
416.27505	1.7
434.32639	1.6
452.09714	10.4
452.22180	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	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97554	0.7
61.81224	0.8
62.39333	0.7
64.10596	0.6
74.06882	0.8
78.95898	3.8
85.77925	0.9
92.79386	0.8
152.99612	1.3
179.91568	0.7
185.39494	0.8
196.03665	1.2
255.23311	100.0
332.25177	0.9
390.44150	0.8
452.27878	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	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59151	0.5
61.08847	0.5
61.36834	0.6
78.95914	8.8
93.60002	0.6
113.52509	0.6
140.01128	4.3
152.99565	1.2
196.03792	7.9
214.04803	0.8
255.23306	100.0
422.13312	0.8
452.27869	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81517	0.5
67.00332	0.6
74.19344	0.6
78.95895	1.4
80.95886	0.7
85.02936	1.0
87.00873	1.2
96.96004	61.1
96.96970	3.7
117.96181	0.7
124.97664	0.7
127.65691	0.6
133.02919	3.1
135.04526	22.0
161.02437	100.0
161.04579	3.3
179.03499	22.3
193.07080	1.4
355.10352	85.8
450.95184	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	453.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06940	5.4
57.55452	5.9
58.34389	5.3
59.01398	5.5
62.84741	7.1
80.77725	6.2
100.24430	6.5
107.70409	6.2
109.02962	61.8
116.92268	6.9
121.02959	8.9
125.02436	30.7
137.02448	14.0
151.00418	8.2
163.00359	10.8
165.01898	56.2
177.01942	29.9
182.33482	7.0
205.05022	10.4
229.05026	26.2
231.03047	8.3
247.05986	13.9
257.00943	8.1
271.02432	11.3
271.06213	8.3
273.69446	8.2
283.85083	7.5
299.01627	6.9
301.00122	10.0
315.05139	100.0
343.04614	98.8
453.03696	9.3
453.09100	14.4
453.23953	9.2
472.98486	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	453.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79964	0.5
59.01375	2.5
65.20997	0.6
69.62437	0.6
71.80914	0.6
75.32854	0.6
78.95907	69.5
81.24746	0.5
92.28809	0.6
96.95988	4.2
96.96960	100.0
101.02506	0.8
110.89958	1.1
110.98526	48.4
126.83608	0.6
192.34529	0.7
268.79871	0.7
293.60904	0.8
341.10938	2.7
453.10052	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	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.6
86.52460	0.4
106.15238	0.5
124.89976	0.4
125.02441	0.7
129.64932	0.4
134.03738	24.1
137.02440	2.7
137.83780	0.4
138.68845	0.4
139.04085	0.6
149.06073	17.1
165.01918	0.6
165.04578	0.4
178.02708	34.8
193.05066	100.0
203.79233	0.4
205.66481	0.4
305.06659	0.7
363.07162	0.9
406.34790	0.5
453.10474	2.1
453.16821	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	453.1195
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
59.01390	8.8
71.01386	2.6
81.03471	2.4
83.01392	7.1
89.02464	2.1
93.03469	2.8
95.05063	1.5
97.02952	6.3
101.02465	2.3
101.48279	1.1
109.02953	25.5
112.98643	2.1
119.05021	28.0
120.66661	1.2
121.02969	6.2
122.03733	1.9
123.04530	20.1
125.02454	17.1
133.06697	1.9
135.04491	2.0
137.02443	14.6
139.04015	4.9
145.02925	9.4
146.03745	1.5
149.02469	9.2
151.04001	18.1
159.04524	1.5
159.08134	5.6
161.02489	2.3
161.06097	15.4
162.03236	2.9
163.04010	7.5
163.06090	1.6
164.01221	2.3
165.01949	8.1
165.05591	2.2
165.33076	1.3
167.03525	1.8
175.04039	4.4
177.02008	1.7
179.03481	11.8
184.37914	1.3
187.04031	9.0
188.04790	7.8
191.03581	1.3
199.07664	2.1
203.07162	48.6
205.05084	29.9
212.04955	1.6
217.01450	2.4
221.08217	8.6
227.07195	6.6
229.08679	1.8
231.03015	5.4
245.08226	31.9
247.06157	5.1
247.09810	1.8
271.09860	2.5
289.07196	100.0
301.06976	1.6
315.08762	27.6
339.10968	1.3
341.06821	5.4
375.69446	1.3
393.17752	5.8
435.10925	8.6
453.12039	68.4
453.19110	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	453.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47891	1.8
53.06822	1.5
53.07344	1.6
57.63830	1.5
59.01380	11.3
60.61360	1.5
60.93377	1.8
61.98834	3.8
67.01890	3.3
67.41159	1.8
71.01367	7.8
73.37527	1.9
74.70824	1.6
81.03474	2.3
83.01395	3.6
83.05007	4.3
85.02915	2.3
89.02443	2.1
93.03434	2.1
95.03471	2.0
95.05008	2.0
96.61169	1.7
97.02940	8.0
101.02467	3.1
102.98319	1.8
109.02943	33.1
119.05022	23.2
121.02963	11.6
123.04520	20.1
125.02424	20.4
125.06078	40.8
133.06557	3.6
135.04532	4.1
137.02431	10.0
139.03932	2.7
149.02426	9.3
149.06046	2.1
151.04013	17.6
159.04434	3.3
159.08098	3.0
161.02374	2.4
161.06081	15.6
162.03311	2.2
163.04027	9.2
164.01122	2.3
165.01883	10.0
165.05597	2.9
167.03481	2.6
175.03967	2.4
177.01903	2.2
179.03500	9.1
187.04008	10.0
188.04791	3.4
202.06360	3.2
203.07155	48.7
205.05049	30.6
221.08060	4.1
231.03082	3.3
245.08243	31.1
247.06113	3.9
247.09735	12.4
271.09589	2.3
289.07172	100.0
315.08798	24.6
341.06619	7.6
409.15054	10.2
435.10870	10.3
453.11948	79.2
453.19431	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	453.1195
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
50.37141	0.5
54.31309	0.5
63.18166	0.5
99.00632	0.6
117.58581	0.5
121.03017	0.6
124.01606	5.1
139.04025	10.9
152.01155	8.3
158.77969	0.6
165.01947	4.9
167.03497	100.0
195.91989	0.7
200.12895	0.6
234.06874	0.8
267.06573	2.4
285.03970	2.5
317.06628	0.7
327.05209	1.1
375.41492	0.6
435.11038	1.1
453.12009	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	453.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59230	0.8
51.90807	1.0
57.09241	0.9
57.80794	1.2
59.01387	11.8
61.26571	1.2
72.09631	1.0
74.47439	1.1
85.02975	1.3
92.19502	1.4
97.02972	6.6
108.02155	5.9
109.02946	22.6
121.02905	1.5
123.04526	16.1
125.02457	16.9
135.04561	1.4
137.02435	9.8
139.03969	4.8
149.02463	5.6
151.04019	11.8
159.04495	4.4
161.02370	1.8
161.06042	8.1
162.03214	1.8
163.03911	1.3
164.01152	4.6
165.01965	11.4
167.03627	1.3
171.17830	1.4
177.05489	2.5
179.03542	10.4
187.03949	6.3
188.04796	5.7
202.06396	1.9
203.07164	23.2
205.05080	18.5
221.08228	2.6
221.54456	0.9
227.07149	1.8
230.05945	1.2
231.03000	1.3
232.89124	1.1
245.08180	25.9
247.06041	1.7
271.06107	1.7
289.07193	100.0
295.08472	1.1
326.99100	1.2
329.10291	12.2
344.03735	1.2
453.15533	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	453.2263
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
50.29200	3.0
59.01392	31.2
70.00850	3.3
71.01371	8.2
73.02966	4.3
83.81091	3.4
89.02469	8.6
92.19397	4.2
101.02432	7.8
109.02976	5.0
112.86399	3.5
113.02415	6.5
121.02946	51.5
122.03283	20.6
123.04531	12.5
125.02396	4.6
135.04512	30.7
136.04857	22.4
144.24413	3.7
161.04524	4.6
163.03958	3.9
165.01897	5.1
167.03490	63.3
203.07361	4.5
223.06172	4.3
453.11676	12.3
453.22852	100.0
453.29169	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	453.2346
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
51.16655	1.2
55.01873	2.0
57.03461	3.0
59.01100	2.6
59.01386	53.7
71.01384	51.0
73.02956	25.0
83.01385	12.0
85.02957	30.1
89.02455	10.4
95.01382	2.5
95.85229	1.4
99.00884	7.3
101.01789	3.1
101.02447	64.1
111.00850	1.4
113.02444	31.6
125.02412	2.5
133.03287	1.3
137.42236	1.2
143.03476	2.0
159.02989	2.7
161.04559	17.8
179.05586	1.4
225.56027	1.5
291.18158	22.6
453.23468	100.0
464.78058	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	453.2497
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
57.03436	4.1
58.03573	0.9
60.86425	1.2
75.86406	1.0
81.03448	6.0
83.01390	2.2
100.41885	0.9
123.03652	1.9
123.04517	37.1
125.02440	100.0
163.71182	1.1
167.03494	90.5
217.61075	1.0
285.20740	2.2
325.23904	4.6
342.11975	1.1
347.07761	1.2
435.23746	4.4
453.24982	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2497
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
59.01383	61.6
70.47954	2.0
71.01382	29.7
71.01728	2.3
72.09708	1.7
85.02962	7.1
86.82565	1.9
89.02448	35.1
96.84478	2.2
101.02441	17.5
113.02442	13.8
119.03511	12.7
143.03506	2.0
151.07735	3.7
152.08461	3.4
165.73950	2.1
167.03558	8.6
179.05598	3.5
203.10744	2.4
218.13382	2.6
273.18738	2.8
291.19681	6.8
417.32230	2.1
438.22928	2.8
453.25107	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	453.2499
Annotation	Epoxycladine A
Peak:m/z	Relative Intensity
52.50263	1.1
56.98347	1.2
59.01387	100.0
68.76464	1.4
91.98051	1.6
109.02949	1.3
124.01667	1.5
131.58296	1.1
139.04016	8.1
152.01115	1.6
161.02362	2.1
167.03520	32.5
258.01733	1.5
267.06882	1.3
393.22849	1.9
396.68063	1.2
409.63220	1.3
453.12036	7.0
453.24973	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	453.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97632	0.7
57.92687	0.8
59.01389	100.0
86.95970	0.9
94.84985	1.0
100.67517	1.0
134.40408	0.8
143.48511	0.8
153.25946	0.9
165.05687	0.9
176.20398	0.9
267.29788	1.0
372.27802	0.9
466.41080	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	453.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50487	0.4
59.01376	2.9
71.35284	0.6
74.25828	0.5
83.05067	0.4
93.03422	1.1
99.96725	0.5
111.04506	1.2
139.42873	0.5
140.23732	0.6
155.03508	3.1
173.04535	3.0
226.30144	0.5
261.21902	0.6
279.23288	100.0
347.58481	0.5
372.01117	0.6
404.84586	0.5
453.28592	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	453.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19339	1.6
50.81860	1.7
59.01385	100.0
60.19337	1.9
70.84382	1.8
83.04990	2.2
90.99627	2.0
91.04021	8.6
92.19999	3.4
93.03456	33.2
94.41322	2.2
102.72015	2.2
111.04510	14.6
125.02436	8.3
137.02457	33.3
144.30936	2.4
153.67931	2.6
155.03493	28.1
171.90756	2.0
184.57965	2.1
287.43552	2.1
291.19708	2.4
297.24350	10.6
319.22775	22.0
327.72333	2.4
393.23099	2.5
453.28580	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	453.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80913	1.1
59.01385	100.0
82.46401	1.4
88.21429	1.2
107.65511	1.5
135.13696	1.2
198.03552	1.3
217.84131	1.4
293.91440	1.3
319.22806	13.4
326.50244	1.5
393.19888	1.6
393.26331	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	453.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81543	0.8
55.37133	0.7
55.52324	0.7
59.01385	100.0
61.13686	0.7
62.08559	0.7
100.22444	0.8
145.02635	0.8
146.60767	0.8
256.27469	0.9
277.39700	0.7
319.22784	13.0
393.26517	3.8
432.01718	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	453.2859
Annotation	CHEBI:83023
Peak:m/z	Relative Intensity
52.49200	2.3
53.43795	2.4
59.01379	3.3
60.99311	2.8
62.18647	2.3
67.01888	12.8
71.01369	2.5
74.86974	2.4
87.00868	23.6
92.57946	2.4
93.03454	88.7
97.40907	2.6
111.04502	12.9
129.01971	3.8
173.04541	41.4
191.05605	17.6
279.23230	13.3
325.23364	2.6
363.84702	2.7
453.28592	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	454.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88011	0.8
67.01906	8.0
94.72414	0.9
99.04523	7.0
105.12326	0.9
111.00877	100.0
122.63397	0.9
143.03500	40.5
164.73451	0.8
165.05550	6.3
191.05579	6.6
193.04951	1.0
198.04538	1.3
216.05577	10.8
245.57378	1.0
301.57465	1.0
364.10880	1.3
392.10123	0.9
454.10495	24.0
470.02365	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	454.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
70.15069	3.8
82.76070	3.1
87.23777	3.9
87.74493	3.2
95.87137	3.3
102.10680	3.0
104.90210	3.8
111.63602	3.9
123.72137	3.5
124.01690	5.6
139.03993	7.8
140.04353	4.8
151.04068	4.8
167.03494	100.0
168.03853	51.1
179.03516	4.4
236.12729	4.0
375.27817	3.3
396.86084	3.6
436.11063	14.0
446.41058	3.7
454.12418	42.6
469.56961	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	454.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69867	0.7
53.93820	0.8
56.82146	0.7
59.01105	1.6
59.01386	36.1
61.98835	100.0
71.01377	1.9
78.07819	0.8
79.03621	0.8
128.57581	1.0
164.04521	0.9
190.00632	1.0
215.10577	0.9
304.98242	1.0
382.17789	1.0
463.62045	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	455.099
Annotation	CHEMBL158521
Peak:m/z	Relative Intensity
58.49834	0.4
65.00330	0.7
76.66305	0.3
77.91414	0.3
85.33218	0.3
92.68111	0.3
97.02952	0.9
109.02959	0.4
121.02935	0.5
124.01649	5.0
125.02442	3.6
137.02473	1.6
139.03018	0.5
139.04027	10.0
141.15843	0.4
149.99567	0.6
161.02443	0.4
164.01175	2.2
165.01936	44.4
167.03583	0.7
168.00691	0.4
183.02992	100.0
243.02992	0.7
253.05135	0.8
269.01056	1.6
271.02487	1.5
271.06561	0.5
273.04120	0.6
287.05484	0.5
295.02457	0.5
301.03604	1.5
303.01462	0.4
358.56082	0.4
367.08380	1.6
411.07220	0.5
455.10031	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1004
Annotation	Epigallocatechin 3-O-vanillate
Peak:m/z	Relative Intensity
55.42735	0.6
59.01393	6.1
63.74347	0.7
64.95551	0.7
66.67999	0.7
71.01369	3.6
73.02934	1.1
78.90167	0.7
85.02924	3.3
89.02417	5.3
90.14668	0.8
93.03431	4.5
96.96937	1.5
101.02469	3.0
107.05027	1.0
109.02978	1.6
111.00858	1.3
111.04486	2.0
112.42376	0.9
112.88368	0.9
113.02428	3.1
117.05555	1.8
119.03449	0.9
125.02399	1.5
137.02425	1.2
143.03506	1.8
147.04500	1.7
149.06087	4.6
161.04549	1.1
165.05563	28.4
173.04544	3.3
175.03955	1.0
179.05620	0.9
181.03105	0.8
188.84122	0.9
191.05618	21.1
193.05025	4.7
194.90761	0.8
199.04161	5.7
213.69797	0.9
217.05252	48.7
228.06371	0.9
275.05777	1.1
281.04657	3.2
323.05664	0.8
365.10608	9.2
379.08362	1.4
393.10071	7.5
395.15573	1.1
436.24454	1.0
455.10049	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	455.1365
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
54.91084	1.4
57.03451	2.0
71.01400	1.8
74.44268	1.4
88.28594	1.6
91.89764	1.6
97.02984	1.8
121.02917	2.1
125.02452	29.0
137.02437	21.1
139.03973	2.1
163.03995	1.7
165.01898	31.6
167.03493	3.9
173.95007	1.7
185.06100	2.7
188.04840	3.5
200.04836	1.6
201.05586	2.1
202.06396	14.7
215.03622	1.7
215.07088	7.1
216.04326	7.0
229.05026	3.9
247.09633	2.2
255.16716	1.9
259.09741	3.0
261.11307	100.0
271.09741	3.6
283.09845	3.0
287.09192	11.7
289.10852	43.6
300.10049	3.0
301.10791	6.8
317.10245	6.6
329.10269	9.8
341.14066	2.6
351.12399	6.6
369.13507	7.5
393.13525	6.6
411.14456	2.7
419.11334	2.2
437.12613	14.1
455.13510	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.9
59.01375	3.8
61.80095	1.3
61.82955	1.4
65.84260	1.4
73.02949	1.6
101.02433	1.6
123.04489	2.8
125.02435	29.6
137.02432	17.5
153.05405	1.5
164.01126	2.2
165.01920	29.3
167.03442	8.9
177.05788	1.5
188.04788	3.6
202.06450	16.2
205.04971	2.2
214.06364	2.1
215.07112	9.6
216.04254	3.2
242.05872	2.1
243.10135	2.2
259.09702	6.2
261.11316	100.0
271.09726	7.8
274.08698	1.8
283.09656	2.4
287.09274	9.0
289.10840	41.3
292.07333	1.7
293.59024	1.8
300.09982	3.2
301.10834	6.2
317.10544	5.2
327.12494	2.4
329.10272	8.1
350.11371	2.1
351.12344	3.4
369.13480	8.8
393.13483	3.5
411.14716	2.1
437.12320	10.6
455.13464	88.9
455.23315	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	455.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91899	0.9
59.01105	2.3
59.01384	49.2
67.70460	1.2
71.01379	40.2
72.28552	1.1
73.33713	1.1
85.02951	2.1
87.00852	2.1
89.02440	88.3
92.57603	1.1
94.98084	1.7
95.01383	1.9
101.02442	31.6
102.56342	1.1
111.77828	1.2
113.02437	26.8
117.05582	5.3
119.03488	27.1
123.67927	1.2
125.02458	5.1
131.03502	5.4
137.02426	2.0
143.03502	4.6
161.04539	5.5
165.05551	2.7
177.01945	1.7
179.05617	12.0
191.05663	2.5
217.05179	7.6
220.44487	1.1
264.77103	1.2
341.10916	100.0
393.09583	1.2
455.09134	8.6
455.14771	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08649	0.2
57.84095	0.2
59.01382	1.1
61.98817	0.3
62.09137	0.2
64.88909	0.2
71.01374	0.4
75.80922	0.2
75.84342	0.2
78.32062	0.2
80.11809	0.2
85.02928	0.3
89.02467	0.3
96.24258	0.2
99.08134	0.2
100.09435	0.2
101.02423	0.4
111.00894	0.2
113.02416	0.2
122.03756	2.7
123.04498	0.8
131.94855	0.2
139.17032	0.3
143.07143	0.3
153.05551	1.7
165.05435	0.2
167.07129	100.0
181.08704	2.9
183.02919	0.3
311.11221	0.5
329.12613	1.1
395.19348	0.3
455.19318	6.0
473.02365	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	455.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
71.01364	0.4
89.60422	0.3
109.02929	0.4
111.04548	0.5
122.03736	2.2
123.04519	0.4
133.57039	0.2
135.04512	0.4
137.02454	0.3
137.06097	0.4
139.04010	0.5
141.82423	0.3
143.07114	0.4
149.06152	0.3
153.01918	0.6
153.05519	0.5
165.01921	2.6
165.05573	0.4
167.07133	100.0
181.08652	2.7
183.03004	4.7
214.35178	0.2
215.78148	0.3
243.63640	0.3
311.11398	1.0
329.12320	1.4
357.34222	0.3
386.55029	0.2
395.19321	0.3
411.22906	0.4
452.92010	0.3
455.09885	2.2
455.19403	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	455.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54163	1.1
57.10996	0.9
59.01387	30.1
61.98819	1.0
71.01396	1.1
71.67262	0.9
73.02948	1.9
74.06660	1.0
85.02937	1.3
97.02940	2.7
101.02422	1.6
113.02434	4.5
119.03481	1.7
123.04513	2.6
125.02413	4.1
133.06583	1.3
137.02431	4.5
137.09668	2.0
144.92073	1.1
147.11792	1.9
153.05565	6.4
161.04510	1.4
165.01958	2.3
173.09677	8.0
174.10510	13.3
187.11285	5.0
189.12854	74.3
202.06339	1.1
226.33728	1.1
231.13870	1.2
233.11827	100.0
261.11365	7.6
273.02960	1.4
275.12857	2.4
289.10794	2.4
358.41586	1.2
393.14017	1.2
395.16956	1.8
417.71140	1.3
446.38834	1.1
455.13687	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	455.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74033	1.0
53.79815	1.1
59.01384	26.8
61.73947	1.1
61.98847	1.1
71.01396	1.9
74.24852	1.2
85.02943	1.8
90.29834	1.3
91.00032	1.0
97.02941	4.5
104.82069	1.1
113.02451	2.4
123.04461	1.5
125.02429	1.2
129.63219	1.2
137.09721	2.7
139.03972	1.3
147.11842	1.3
151.00334	1.2
165.01913	1.2
167.03522	14.3
167.07175	10.7
169.01408	2.0
173.09695	8.5
174.10489	13.8
177.37643	1.3
181.08751	1.4
183.02977	5.2
187.11250	5.3
189.11121	2.2
189.12857	80.5
233.11832	100.0
250.60831	1.4
275.13046	1.5
356.35126	1.2
372.77448	1.2
383.36139	1.4
395.16830	1.7
409.20908	1.6
455.10297	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	455.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08102	0.7
53.96851	0.8
57.31926	0.8
57.84465	0.7
59.01387	100.0
68.94258	0.7
78.59414	0.7
98.89100	1.0
144.45476	0.9
290.92673	0.8
294.10168	0.8
294.15521	0.9
341.69470	0.8
455.26273	1.1
458.30237	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	455.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21407	1.3
57.93313	1.2
59.01387	100.0
59.07692	1.2
74.12653	1.2
76.20045	1.1
88.80277	1.2
91.04008	6.7
92.20081	1.7
104.32619	1.3
104.48296	1.2
123.40334	1.1
160.95718	1.1
161.07175	1.3
185.11832	1.7
217.75505	1.2
221.15379	2.8
321.24374	29.4
419.24274	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	455.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15868	0.7
51.33864	0.8
59.01384	100.0
70.91748	0.9
77.14983	0.9
80.69968	0.8
91.03996	4.6
93.82578	0.9
142.34941	0.9
167.28963	1.1
258.73718	0.9
271.40988	0.9
321.24347	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
56.71633	0.3
96.32182	0.4
100.50971	0.3
139.36618	0.3
167.78143	0.3
376.38895	0.4
455.35339	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	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30092	1.0
59.01385	38.0
63.73520	1.1
70.56588	1.2
71.01387	30.1
89.01898	2.6
89.02441	56.4
95.01400	1.4
97.41120	1.3
101.02442	23.8
113.02457	18.9
114.05597	18.4
119.03502	20.6
131.03461	1.9
149.04575	1.4
155.81001	1.5
160.77487	1.2
161.04510	2.3
179.05615	10.2
210.88873	1.1
292.40186	1.2
341.10922	100.0
437.24149	1.3
459.68585	1.4
462.37592	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	456.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
56.50021	0.4
59.01388	8.3
61.65114	0.7
71.01387	9.6
72.99310	33.0
72.99723	1.1
73.02955	0.9
75.00863	1.2
83.01373	0.8
85.02953	3.3
89.02444	6.3
91.05532	0.6
101.02448	9.9
111.62791	0.6
113.02427	4.0
114.21304	0.7
118.06627	2.2
119.03548	2.3
119.05009	5.2
125.02436	0.7
125.29679	0.6
131.07124	0.9
134.06122	3.1
162.05597	8.6
163.04086	0.8
165.01953	1.0
180.05154	1.1
180.06662	22.0
184.96324	0.6
220.13460	2.6
230.11746	0.7
265.63535	0.6
290.07446	1.1
293.12332	2.4
294.13629	0.7
392.17499	0.7
456.18793	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	456.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.7
61.92633	0.9
61.98821	1.1
63.63213	1.0
71.01373	6.5
71.54900	1.0
72.64998	1.2
72.99308	27.4
73.02940	1.0
75.00888	1.4
85.02943	2.3
85.40176	0.9
87.00860	1.2
89.02455	9.4
91.05575	1.3
101.02425	9.0
113.02415	2.2
118.06625	2.0
119.03492	1.6
119.05022	5.9
134.06120	4.2
162.05547	10.5
180.06674	38.7
202.82161	1.2
220.13472	5.3
395.35095	1.1
440.73093	1.1
456.18787	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	456.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	73.7
78.60980	0.9
81.03472	2.9
86.55695	0.8
94.29828	0.9
96.33458	0.9
97.00452	0.8
114.38354	0.9
119.30808	0.8
125.01514	1.3
125.02422	12.0
128.77763	0.7
226.99686	0.9
257.60754	0.9
289.22073	1.3
331.22821	1.6
349.23795	7.0
354.00342	0.9
384.50433	0.9
393.22849	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	457.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21838	0.3
59.01382	1.5
70.03504	0.3
71.01382	7.8
73.02932	0.5
79.26118	0.4
84.92487	0.4
89.02441	0.4
96.34291	0.3
99.00848	0.4
101.02473	2.6
113.02436	0.9
115.00372	6.7
135.04526	43.1
161.02452	0.7
161.04594	1.9
172.76140	0.3
179.03499	100.0
190.84669	0.4
206.24736	0.3
265.12888	2.5
341.08789	37.1
397.17252	8.2
413.90134	0.4
457.09924	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	457.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61641	0.7
58.65832	0.6
59.01396	0.6
62.66145	0.7
71.01382	9.7
89.02454	2.7
105.74810	0.7
113.12155	0.7
115.00366	38.9
119.05022	2.6
133.01431	86.5
135.04524	34.7
146.08244	1.6
161.02431	9.6
163.04021	2.8
179.03496	100.0
293.11761	0.8
297.09610	0.8
323.07672	3.0
341.08795	72.9
457.09399	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73438	0.9
59.01374	4.6
63.32199	0.9
66.00786	1.2
68.99577	2.1
71.01385	2.4
72.92332	1.2
76.98822	1.3
78.95893	1.1
85.02949	1.0
89.02467	1.8
93.03464	13.9
96.66666	1.2
101.02398	1.4
112.98574	5.1
113.02462	1.3
118.05165	1.4
119.05025	11.6
121.02953	100.0
125.02412	1.9
133.01456	2.0
137.02448	39.3
150.73172	1.2
155.03479	4.6
163.04005	14.9
179.03513	4.9
335.09808	18.9
341.08823	4.2
457.13623	29.0
457.19635	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	457.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52075	1.7
52.78337	1.9
59.01376	4.6
65.11956	1.8
71.01371	4.2
71.05025	10.8
74.00706	8.5
74.20078	2.1
89.02410	3.5
94.05490	1.9
101.02456	2.5
109.24249	1.9
111.85905	2.2
116.07193	2.1
119.05018	47.8
121.02963	3.4
125.02470	8.4
128.01756	81.6
135.04530	13.2
145.04413	12.1
146.08234	100.0
163.04018	12.3
179.03455	36.4
194.86378	2.2
254.40366	2.2
275.10730	69.4
293.11792	88.1
293.15054	3.5
325.67084	2.3
341.08817	15.8
457.08655	4.4
457.16962	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	457.1721
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
59.01099	3.2
59.01384	73.3
71.01379	67.7
73.02944	10.7
75.00877	2.5
81.03478	2.4
83.01376	4.2
85.02939	4.3
87.00848	2.5
89.02439	93.7
97.02920	13.8
99.00906	18.6
101.02440	12.4
113.02443	4.3
115.04025	15.9
118.54288	2.0
125.02440	52.0
131.03522	5.6
145.29208	2.6
147.04523	2.8
148.05305	33.8
149.04596	12.5
163.07643	100.0
191.05614	12.4
233.06694	33.9
288.50537	2.0
293.08820	95.2
338.70953	2.2
457.17386	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	457.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.01688	3.2
64.42654	1.4
71.01376	6.1
73.02964	1.6
79.07328	1.3
85.02983	1.3
89.02419	2.4
99.00930	1.2
101.02445	9.4
108.02198	1.5
113.02416	2.6
119.03475	6.8
119.24498	1.3
123.04546	2.3
132.12973	1.4
137.02483	1.3
139.04037	1.6
152.01170	7.3
167.03519	14.2
169.05077	3.2
183.35585	1.3
185.13225	1.3
203.07314	1.7
247.09639	1.7
260.07001	2.4
275.09283	2.6
277.10779	13.9
289.10745	1.9
301.10684	2.5
314.61481	1.4
319.11884	9.9
370.23993	1.6
397.14938	8.0
457.16946	2.0
461.87491	1.8
473.89474	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	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57183	0.9
55.01859	0.9
55.39312	0.7
57.03443	5.9
59.01155	1.0
59.01392	16.5
62.30135	0.8
68.59605	0.9
69.03439	1.0
71.01374	15.7
72.77238	0.9
72.99294	2.3
73.02933	0.9
73.43581	0.8
75.00874	19.9
85.02953	29.8
87.00876	8.2
92.19778	2.1
95.01369	5.5
99.00877	6.1
103.00387	1.1
105.15676	1.0
111.04498	1.4
113.02454	26.6
115.00346	1.7
117.01904	1.5
123.08161	5.9
129.01921	1.8
138.08484	0.9
153.09230	1.0
165.49069	0.9
169.24753	0.9
171.11806	8.5
175.02472	6.0
189.12906	1.2
201.12866	1.7
207.13797	1.2
237.14870	7.7
249.24860	1.0
256.76608	1.0
281.13913	7.7
294.92435	1.2
397.19186	1.1
413.18024	1.5
457.17206	100.0
478.00577	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	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78419	7.7
53.31986	10.1
65.41147	10.0
70.89301	11.7
74.58295	9.7
161.19333	9.6
185.71899	11.8
206.01953	12.3
266.73868	10.7
319.79773	13.0
336.57214	10.2
457.18692	100.0
479.27332	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	457.1852
Annotation	15(S)-Fluprostenol
Peak:m/z	Relative Intensity
51.95431	2.4
56.61875	2.1
58.71024	2.5
59.01379	6.1
59.46525	2.6
62.22548	2.6
66.69061	2.4
80.54656	2.3
89.02428	2.9
111.17542	3.5
123.04522	3.3
125.02369	3.7
203.07292	3.1
252.12823	2.5
257.04559	4.7
262.37366	3.2
295.06161	29.6
314.64847	2.7
421.21301	2.9
457.18552	100.0
457.25092	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	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21904	2.9
55.08358	2.7
71.01389	5.1
90.01527	3.4
95.94227	3.2
101.02380	3.7
113.02454	5.0
122.88369	2.6
372.13568	3.3
421.20828	36.7
457.18552	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	457.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
82.98430	0.5
94.50436	0.5
117.98356	0.5
150.03247	0.7
249.12926	1.0
251.10782	10.7
263.10767	0.5
279.10269	37.8
293.15552	3.2
294.12643	100.0
295.06073	0.7
337.14471	1.2
421.09201	0.7
457.18726	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00731	0.2
52.82940	0.2
59.01378	1.2
61.64082	0.2
63.80532	0.2
81.40480	0.2
87.00871	1.0
92.20046	0.6
119.18312	0.2
122.03732	3.0
135.04533	0.4
145.08696	0.9
153.05609	0.3
165.05611	0.3
166.06323	0.2
167.07132	100.0
180.32886	0.2
181.08736	0.4
230.63043	0.2
233.61826	0.2
235.13341	1.4
238.35721	0.2
248.49408	0.2
257.80408	0.3
261.76926	0.3
311.11423	0.4
329.12503	1.1
343.14084	0.4
443.78009	0.3
457.20889	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	457.2364
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
78.95908	27.2
81.80892	0.4
83.83045	0.3
91.67188	0.4
96.96958	5.8
150.98026	1.8
152.99586	100.0
171.00630	4.1
253.78156	0.4
313.21790	0.3
457.23642	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2364
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
51.64822	1.0
59.24977	1.0
69.37596	1.1
69.59894	1.1
75.79807	1.1
75.89767	1.3
78.95918	32.3
80.92694	1.1
82.16284	1.3
93.76907	1.2
96.96967	2.5
100.97140	1.2
152.99593	100.0
217.35242	1.2
271.34259	1.3
274.46735	1.2
290.23221	1.3
387.64774	1.3
457.23676	20.3
457.29373	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	457.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74545	2.5
59.01105	4.3
59.01385	100.0
62.02013	2.1
63.41210	2.2
64.03848	2.5
69.63331	2.6
70.04036	2.7
71.01385	67.1
77.13743	2.1
85.02925	3.4
89.02441	97.2
95.01395	2.9
101.02450	20.2
103.61374	3.0
113.02446	25.0
119.03483	24.2
152.99550	3.0
161.04576	11.8
179.05635	34.9
253.74405	2.9
277.21710	53.7
361.26410	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	457.3326
Annotation	Platanic acid
Peak:m/z	Relative Intensity
69.03453	4.5
69.43369	2.0
75.21918	2.1
91.53780	2.2
92.19818	5.2
105.84935	2.2
109.06558	34.0
123.49455	2.3
130.93510	2.4
140.45642	2.4
217.11209	2.4
342.12772	2.6
355.30014	19.3
357.31720	23.4
379.30444	5.4
385.30688	8.0
385.35098	4.9
397.31064	64.5
411.32742	3.2
413.34247	71.2
457.33261	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	458.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90154	0.8
59.01381	3.7
61.98834	100.0
64.82421	0.9
72.05466	0.8
76.58096	0.8
88.70171	0.9
92.20582	0.9
113.62949	0.8
117.53117	1.0
121.61486	0.8
190.13087	1.0
458.18680	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	458.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61476	0.5
59.01389	0.6
61.98837	100.0
67.43961	0.6
92.19440	1.1
100.79292	0.6
111.43505	0.5
152.34756	0.7
167.07155	16.3
168.07469	11.4
204.84360	0.7
219.18344	0.7
260.15500	0.6
274.52911	0.6
329.22879	0.7
458.21118	2.8
467.29199	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	458.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41072	1.1
61.98836	72.0
71.56277	1.0
73.06900	0.9
125.02431	6.3
136.93321	1.0
211.32497	1.0
351.25571	4.6
365.56592	1.2
395.24414	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	459.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38496	0.4
59.01366	0.7
64.37563	0.4
73.07820	0.5
82.67461	0.5
86.23337	0.5
97.04516	0.5
116.11893	0.5
127.54877	0.5
149.02454	1.1
163.11267	1.0
176.07379	0.6
191.03526	2.4
204.04349	0.6
205.05072	30.6
215.03488	1.2
218.12073	0.5
219.13887	0.9
233.04544	100.0
245.04622	2.2
263.05576	3.4
264.15637	0.5
339.08740	16.4
369.10034	0.7
459.12994	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29674	0.5
59.01375	0.8
61.98835	4.5
81.31310	0.5
88.98824	0.6
89.02430	0.7
92.25522	0.5
94.20760	0.6
163.04002	0.7
184.22517	0.7
190.02780	1.0
191.03514	11.6
203.03516	4.4
204.04338	0.6
205.05075	22.8
215.03572	0.9
217.04999	0.8
229.48257	0.6
231.03008	0.7
233.04553	100.0
245.04507	5.6
263.05600	25.9
339.08679	15.7
353.08932	1.1
369.09833	3.7
439.98602	0.6
459.13004	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48093	0.3
60.10848	0.3
65.91396	0.3
71.01376	0.5
73.02949	28.7
75.00864	1.3
86.55004	0.3
89.02460	0.5
98.04077	0.3
99.00862	4.7
102.91403	0.3
103.00401	0.7
109.66828	0.3
116.92860	0.4
117.01939	100.0
125.38977	0.3
140.64502	0.3
191.05563	0.8
249.38716	0.4
280.31165	0.3
430.00208	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09528	0.6
56.23214	0.6
59.01375	4.2
70.01653	0.7
71.01389	3.3
85.02962	0.8
92.20129	0.7
101.02440	1.7
121.02958	100.0
125.02467	1.0
135.04539	31.7
161.04541	2.9
163.03992	2.9
223.05997	1.3
267.79636	0.8
283.20413	0.8
459.15234	4.8
459.37738	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	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57858	1.1
59.01385	28.0
71.01390	9.0
73.02950	1.5
81.03463	1.4
85.02927	1.9
89.02451	4.6
90.95146	1.1
91.35111	1.2
97.02886	1.2
101.02423	5.2
110.49015	1.3
113.02457	2.6
119.03456	1.5
120.21986	1.3
121.02976	1.4
123.00854	2.3
123.04512	2.2
124.01674	18.2
125.02451	49.0
137.02432	2.5
141.44734	1.3
142.99878	1.7
149.99617	22.9
151.00368	11.4
161.04546	5.7
168.00645	84.1
169.01418	6.8
173.30075	1.2
199.77850	1.3
221.81104	1.3
237.14937	3.1
269.06595	1.6
343.14099	2.4
459.15048	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	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04145	6.1
51.06009	5.8
57.03461	48.6
57.65522	6.3
59.01397	14.7
71.01369	8.4
81.03448	6.5
90.41379	6.7
93.62556	6.0
99.04527	38.7
101.02470	14.0
114.37597	7.4
125.02414	29.1
130.02966	6.4
138.03221	100.0
148.17841	6.3
153.05591	57.6
155.56773	6.3
239.68674	6.8
346.08295	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	459.1875
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
52.62710	1.3
55.01881	2.1
57.03433	1.5
59.01386	21.4
59.19320	1.2
60.24646	1.3
71.01376	24.3
73.02943	9.0
83.01392	6.7
85.02949	12.9
92.20087	3.0
95.31638	1.3
97.11496	1.4
101.02444	24.0
101.33852	1.8
106.37357	1.5
113.02429	12.6
194.26248	1.9
207.13905	2.8
253.14479	22.9
253.64613	1.7
330.47638	2.0
369.19229	6.3
415.19818	77.8
441.17899	2.4
459.18784	100.0
484.87149	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	459.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09581	0.7
59.01385	38.8
60.15882	0.7
60.22534	0.9
71.01379	21.4
73.02932	1.7
77.05218	0.7
83.01357	1.0
85.02953	6.9
88.33627	0.8
89.02441	20.6
95.01389	1.4
95.75667	0.8
97.02903	1.1
101.02443	22.9
111.04541	1.0
113.02444	11.9
119.03484	6.7
124.97848	0.8
129.16083	0.8
135.04524	1.5
137.06087	1.8
151.04024	3.2
165.01945	7.5
176.01068	0.8
177.01891	4.1
177.09233	1.0
179.03528	3.8
180.03847	3.2
181.03894	1.0
187.11327	4.8
195.03030	1.4
195.95155	1.0
205.12341	10.8
253.14503	1.6
296.89029	0.8
339.07056	1.8
343.09467	3.0
459.11957	4.9
459.18756	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43421	0.5
57.03452	0.7
59.01387	9.4
65.76569	0.6
66.08231	0.5
68.23777	0.5
71.01370	0.6
76.02848	0.5
85.02902	1.7
89.70695	0.6
92.12100	0.5
92.20129	0.9
99.04534	0.6
101.02460	2.5
103.04015	21.2
104.28287	0.5
110.05458	0.5
113.02396	0.8
113.67557	0.5
117.05570	2.5
117.64056	0.5
122.03703	2.7
123.04535	3.3
125.02414	1.0
139.03984	8.1
144.10825	0.6
147.06628	12.0
150.09576	0.6
153.05544	8.9
161.04645	0.6
161.08047	0.6
165.05534	2.2
166.06287	0.6
167.07133	100.0
169.05052	17.6
219.13980	0.7
311.11420	3.1
315.10873	0.7
329.12476	14.2
415.16013	1.3
459.13644	0.6
459.18527	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	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.1
65.82935	1.2
71.01372	5.8
73.02937	14.5
74.91002	1.4
76.93723	1.5
85.02953	27.6
93.03383	1.4
94.42357	1.5
94.94944	1.4
113.02450	19.0
121.06599	3.3
123.04492	1.6
125.02429	1.5
129.01923	1.7
137.06090	1.9
149.06093	1.7
168.68521	1.7
171.08144	2.4
173.09691	18.4
185.09766	2.7
187.07712	1.6
187.11224	1.8
191.10793	14.0
195.08189	1.8
199.07632	1.5
201.09254	2.5
202.33260	1.4
203.10776	2.9
211.07677	1.7
211.11299	2.0
213.09253	16.6
213.12730	1.9
215.10851	3.3
221.09761	3.2
231.10287	21.6
239.10783	12.9
241.08481	2.9
242.09439	2.3
243.10258	3.1
251.10710	2.1
257.11847	44.8
269.11777	7.4
275.12854	15.6
305.13992	8.6
340.16092	1.4
341.16010	2.7
387.15845	1.9
399.20279	100.0
459.22345	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59597	1.0
59.01388	8.6
71.01385	4.6
75.00886	1.6
81.03484	1.1
85.02982	1.4
95.05049	1.2
97.02949	2.2
99.04507	5.6
107.05022	6.8
109.06664	1.4
111.04555	1.4
113.02422	1.6
121.06573	2.0
123.04552	1.4
133.06653	4.1
135.04471	1.5
137.06090	5.5
139.07658	1.5
149.06075	4.9
151.07610	1.5
153.05569	1.7
167.07109	2.1
183.10349	1.6
185.09789	2.7
187.07683	1.9
191.07190	2.2
203.10672	1.3
205.08801	1.6
207.10184	4.6
211.11307	2.5
225.09227	1.4
228.62123	1.3
229.12265	4.9
231.10222	5.5
231.13855	2.0
239.10727	2.5
241.12379	5.7
243.10275	6.4
245.11847	1.6
249.11404	1.7
251.10762	2.0
257.11774	11.2
259.13394	2.5
261.11505	2.3
269.11783	6.0
273.07120	1.3
275.12802	6.9
287.12903	7.1
303.12283	1.4
305.13892	5.4
323.14877	4.9
323.93350	1.2
333.17383	1.5
341.12128	2.2
341.16074	45.5
399.20267	100.0
459.22394	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.2
59.01388	28.0
61.98824	2.3
71.01392	4.3
73.02963	1.6
75.00871	4.3
79.77213	1.1
85.02969	1.9
92.20080	1.2
99.04520	4.5
107.04975	4.8
109.06570	2.0
111.04551	2.5
113.02471	1.2
121.06599	2.4
123.04541	2.3
125.06070	4.2
125.90559	1.1
133.06606	1.6
135.04498	1.2
137.06078	2.5
149.06044	1.6
155.07175	1.7
159.08359	1.0
163.07703	1.5
167.07115	1.5
173.09711	1.3
185.09738	1.4
191.10823	8.8
193.08716	1.9
195.10248	1.5
195.64241	1.0
199.11264	1.4
203.10799	1.7
208.08881	1.4
211.11343	4.2
213.09171	2.2
215.10779	1.8
217.12387	1.7
219.10324	1.2
221.09743	1.5
223.11279	5.1
225.09261	3.8
227.10732	1.2
228.88809	1.3
229.12328	2.6
231.10245	1.9
239.10870	7.3
241.12288	5.2
243.10152	2.3
251.10771	10.1
257.11838	9.1
259.13422	2.0
269.11850	17.1
275.12860	6.1
281.25754	1.1
287.12936	16.0
293.13928	6.1
305.13962	20.0
323.15070	10.2
341.16113	18.5
359.17172	15.4
383.17194	1.3
399.20267	10.2
401.18170	2.3
417.16644	1.0
417.21320	33.3
459.22412	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	459.2523
Annotation	Vielanin B
Peak:m/z	Relative Intensity
63.04420	1.0
78.95903	29.4
96.96941	5.2
143.13564	1.1
152.99588	100.0
161.02437	10.8
171.00659	2.1
186.14844	1.3
203.59329	1.2
228.57469	1.1
247.17123	1.3
268.79913	1.3
297.24539	1.4
459.25012	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20752	1.1
51.71024	1.0
53.65489	1.0
57.03425	1.3
59.01385	100.0
71.01385	32.4
73.02937	8.6
83.01379	2.2
85.02976	11.0
85.03394	1.4
87.00871	2.2
89.02441	12.1
91.13785	1.3
95.01378	2.5
96.19687	1.4
99.00864	1.5
101.02435	21.1
109.83284	1.3
113.02449	15.6
119.03465	3.0
131.03510	2.4
143.69434	1.2
159.02988	1.5
161.04529	14.4
179.05623	2.4
199.09949	1.3
206.98044	1.3
221.06679	17.2
251.32179	1.4
288.27689	1.5
322.90421	1.5
387.08298	1.4
399.23868	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98841	1.0
67.62845	0.9
71.01378	11.5
85.02937	1.6
89.02440	13.6
89.11324	1.1
93.03462	1.4
101.02431	6.8
113.02432	6.0
119.03475	5.9
121.02929	4.9
155.03433	1.0
161.04570	1.8
173.04567	3.9
179.05612	5.8
285.20825	2.0
324.22763	1.0
370.03992	0.9
399.23843	17.7
401.09052	1.8
459.26144	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	459.2605
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
59.01389	100.0
71.01405	9.3
73.02975	1.6
79.86485	1.2
85.02921	1.7
87.08539	1.4
88.08926	1.5
92.20137	2.4
101.02442	5.9
113.02435	1.9
114.04758	1.4
161.04626	3.3
243.83174	1.3
256.85831	1.6
278.00726	1.5
295.26294	1.5
399.23923	27.7
459.26181	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	459.2606
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
59.01386	100.0
61.32275	0.9
63.62934	1.0
71.01391	8.2
73.02935	1.2
74.43557	1.1
74.98418	1.1
85.02940	1.8
89.02448	13.1
92.86832	1.1
101.02432	7.9
103.02384	1.1
113.02429	4.3
119.03498	2.8
127.92651	1.1
143.03482	1.9
151.60829	1.2
161.04529	1.4
169.08749	1.0
175.20480	1.1
179.05626	6.2
179.07056	1.1
249.91841	1.2
252.43658	1.1
260.78503	1.2
285.20728	2.5
399.24063	11.4
459.25748	10.9
471.34183	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43909	1.2
59.01385	100.0
71.01379	9.4
73.99948	1.1
85.02934	2.5
89.02461	4.8
89.45280	1.2
101.02435	9.4
113.02443	4.8
121.02929	4.9
143.03445	1.3
152.99629	1.4
161.04536	5.8
165.25464	1.2
174.59094	1.2
177.23798	1.5
183.25949	1.2
206.22507	1.7
297.11328	1.2
297.15137	2.1
304.98169	1.4
374.81259	1.3
399.23865	30.5
459.26050	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	459.2606
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
53.07786	1.0
56.85025	0.8
57.56199	0.9
58.72008	0.8
59.01387	100.0
60.15262	0.9
61.24393	0.9
69.49071	0.8
71.01386	7.0
73.02928	2.0
74.11671	1.0
85.02938	2.5
89.02430	2.1
90.21583	0.9
101.02441	5.4
113.02475	2.4
117.24431	1.0
139.04004	1.2
161.04535	1.8
161.87389	1.1
165.09215	7.9
166.85805	1.0
228.73903	1.1
399.23889	17.3
409.71295	1.3
424.68527	1.1
459.20032	1.3
459.26108	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77520	0.8
59.01385	100.0
61.15863	0.9
71.01367	4.0
83.24799	1.1
89.02429	8.9
101.02448	1.4
113.02418	1.9
125.61874	1.0
138.03195	1.4
139.03981	4.0
139.44077	1.1
161.04578	1.5
163.00360	3.8
164.01135	1.1
166.74768	1.1
179.03470	4.0
179.05638	3.8
181.22336	0.9
248.65097	1.1
399.23764	4.0
455.19342	1.0
459.26059	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	459.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.7
71.01373	1.4
72.32901	1.0
73.02932	2.0
77.40091	1.2
78.95905	8.4
81.03465	5.3
83.05018	14.7
93.03448	100.0
96.02164	1.6
109.02916	1.4
111.04514	50.1
116.19579	1.2
137.01436	2.6
137.02443	60.2
148.12555	1.3
152.99594	20.4
155.03505	75.5
173.04594	1.7
280.42282	1.4
303.23318	15.2
306.82404	1.5
377.23291	1.8
459.27603	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	459.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60757	9.6
56.69764	9.5
59.01375	74.4
71.01372	58.4
78.95916	24.3
89.02428	27.4
99.02219	11.7
101.02441	14.3
129.80870	11.6
129.93439	11.4
152.99597	100.0
179.05617	27.9
184.20471	11.7
190.27861	14.2
271.93738	13.1
279.23254	91.5
459.25293	20.1
459.35260	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	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
54.57241	1.1
59.53606	1.1
67.89457	1.1
69.03450	6.7
75.13875	1.4
78.41296	1.2
78.95897	3.0
84.47825	1.0
89.77724	1.2
95.90350	1.2
109.06583	70.2
109.07334	2.4
152.99585	15.8
303.26968	2.3
341.02029	1.5
343.30078	51.2
371.33200	24.1
397.31088	15.0
415.32233	35.8
459.25433	5.5
459.31198	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	459.3485
Annotation	Argenteanol B
Peak:m/z	Relative Intensity
53.81802	1.2
59.02206	1.4
65.18543	1.2
72.15969	1.4
74.48597	1.3
93.25404	1.3
129.82442	1.6
203.05019	1.5
343.30115	51.0
345.31601	98.5
389.30533	7.0
397.34729	100.0
459.34799	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.87258	0.9
58.84522	0.9
59.01355	0.9
63.53748	0.9
70.99160	0.8
75.40867	0.8
84.95620	0.9
109.02905	1.4
115.47686	0.9
119.29675	1.0
121.02956	6.5
165.01932	22.4
193.01361	3.8
243.03041	1.3
247.19882	1.0
254.02039	1.2
269.04694	1.8
271.02530	19.4
272.03503	1.7
285.04031	1.2
287.05640	2.3
292.79651	1.1
297.04056	1.9
299.01993	94.7
300.02774	19.3
314.04346	79.7
315.05136	58.8
324.03403	0.9
461.10959	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	461.1094
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.01385	15.1
59.89941	0.7
61.03685	0.7
71.01394	7.5
85.02933	1.5
89.02439	11.9
101.02441	3.6
121.02953	2.0
137.02490	1.3
161.73863	0.8
179.05640	1.4
190.06398	2.1
255.02969	23.6
267.06314	1.1
269.04593	3.7
281.11917	4.8
282.35181	0.9
283.02496	92.9
284.03265	12.6
285.04022	1.6
289.55347	0.8
297.04025	11.8
298.04831	19.5
299.05548	7.4
299.12903	1.1
311.12939	3.6
313.03671	4.5
363.37286	1.0
383.13266	1.0
401.21835	1.4
413.13916	1.8
446.08691	17.8
461.10977	100.0
461.17465	8.1
461.24362	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	461.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34475	1.7
59.01393	2.0
60.05777	2.4
60.83035	2.4
74.92323	2.0
86.03708	2.2
97.02929	2.6
105.07114	3.4
108.05777	2.8
112.68534	2.5
113.06071	2.5
125.06056	12.0
138.06886	2.9
139.07640	10.8
145.50299	2.2
151.07660	29.7
152.08418	10.5
153.09195	29.3
163.07619	4.3
165.54053	2.5
167.06894	2.2
201.12868	13.6
204.11636	17.8
208.75618	2.2
219.13931	28.4
263.12885	100.0
425.18134	9.4
461.15826	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14804	0.2
59.01382	2.2
62.00867	0.3
71.01372	2.0
89.02454	2.5
101.02430	0.5
122.03773	2.6
125.02404	0.3
149.04579	0.6
152.12057	0.3
167.07135	100.0
177.10518	0.3
188.59084	0.3
235.45000	0.3
293.08875	2.7
401.18420	1.1
461.16608	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	461.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93183	0.2
54.28845	0.2
55.53844	0.2
56.67090	0.3
59.01383	1.6
60.07470	0.3
68.61388	0.3
69.46332	0.2
70.83253	0.3
75.46977	0.3
79.98531	0.3
91.05515	0.4
122.03690	2.9
125.02438	0.6
132.17078	0.3
135.04471	0.5
137.06058	0.5
168.00615	0.7
181.08708	100.0
295.05994	0.4
313.07123	0.4
343.13901	2.6
461.11124	1.9
461.18213	3.2
461.27991	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	461.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72932	2.2
59.01387	100.0
71.01379	65.9
71.68605	2.0
72.95206	2.4
76.22269	2.0
76.27250	2.3
85.02951	10.1
89.02445	87.8
92.20134	3.5
93.03455	5.4
101.02433	14.8
113.02447	11.0
119.03439	4.9
123.04531	4.8
124.46419	2.1
131.03484	5.5
137.02441	4.0
143.05040	4.3
145.02992	9.2
149.04544	25.0
153.05562	3.7
160.05315	25.3
172.05243	12.3
175.07616	11.2
187.07661	4.8
189.05594	9.9
190.06352	36.9
191.48012	2.2
205.08731	20.3
255.02888	20.1
266.09482	34.5
281.11911	41.2
283.02515	69.1
284.03201	10.1
297.04077	10.3
298.04840	13.1
299.05676	11.0
299.12888	3.8
299.23309	2.4
311.12918	56.0
401.22015	3.1
446.08640	11.5
446.16507	3.1
461.10834	66.5
461.18140	52.1
461.24216	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	461.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72932	2.2
59.01387	100.0
71.01379	65.9
71.68605	2.0
72.95206	2.4
76.22269	2.0
76.27250	2.3
85.02951	10.1
89.02445	87.8
92.20134	3.5
93.03455	5.4
101.02433	14.8
113.02447	11.0
119.03439	4.9
123.04531	4.8
124.46419	2.1
131.03484	5.5
137.02441	4.0
143.05040	4.3
145.02992	9.2
149.04544	25.0
153.05562	3.7
160.05315	25.3
172.05243	12.3
175.07616	11.2
187.07661	4.8
189.05594	9.9
190.06352	36.9
191.48012	2.2
205.08731	20.3
255.02888	20.1
266.09482	34.5
281.11911	41.2
283.02515	69.1
284.03201	10.1
297.04077	10.3
298.04840	13.1
299.05676	11.0
299.12888	3.8
299.23309	2.4
311.12918	56.0
401.22015	3.1
446.08640	11.5
446.16507	3.1
461.10834	66.5
461.18140	52.1
461.24216	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.37966	1.8
71.01378	36.7
73.02939	2.8
79.87888	1.6
83.01389	1.8
83.97817	1.8
85.02958	3.1
85.72683	1.8
89.02436	60.3
90.46012	1.5
95.01414	3.7
99.00864	2.2
101.02444	25.0
113.02425	20.5
113.51955	1.7
119.03488	20.3
123.04498	12.9
125.02476	3.5
131.03517	2.0
138.12428	2.2
139.07639	6.6
143.03500	6.7
153.01897	1.9
165.05507	2.2
167.03488	63.2
167.05687	1.7
167.07137	52.6
168.07849	3.6
179.05630	26.0
191.10753	2.6
203.07095	2.3
209.04570	11.4
236.63840	2.1
270.72015	1.7
288.59482	1.8
299.11368	22.3
326.38614	2.1
401.18198	65.1
461.11887	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07241	0.4
56.29872	0.4
59.01380	2.6
71.01393	0.9
72.99300	0.9
74.60504	0.3
75.00871	100.0
85.02945	0.6
86.22269	0.4
87.13025	0.4
87.91971	0.4
89.02463	0.6
92.19434	0.6
95.07884	0.4
100.09049	0.4
101.02420	0.4
113.02442	0.6
115.05791	0.4
117.42790	0.4
119.67121	0.5
123.04485	0.8
125.02393	0.4
134.14882	0.4
167.03488	9.1
167.07288	0.4
191.03546	0.9
221.11838	2.3
461.13391	2.6
461.20386	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96827	1.0
59.01107	1.6
59.01385	40.0
71.01379	23.6
73.02946	2.6
74.12981	1.0
85.02928	2.3
89.02441	34.6
96.96066	1.5
101.02434	20.9
105.01958	1.2
113.02441	12.1
116.92868	2.2
119.03480	9.7
121.02951	2.2
125.02435	1.3
135.04469	1.4
136.05292	2.0
139.07687	1.7
143.03546	1.4
155.03416	1.1
161.04532	1.5
165.09178	5.0
167.07091	4.9
172.26965	1.1
174.76198	1.0
177.09219	1.6
181.08824	1.2
182.99432	1.5
191.10753	11.5
209.11850	17.8
221.11833	4.7
239.12904	14.7
383.16815	2.5
401.18192	100.0
403.19150	1.2
461.12625	4.2
461.20178	1.2
462.52054	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	461.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92609	0.6
59.01384	8.8
60.68206	0.7
71.01369	3.9
73.02924	1.0
82.10905	0.8
85.02948	0.8
89.02422	3.7
91.40331	0.8
98.55125	0.8
101.02429	1.6
129.57089	0.9
198.06778	1.5
215.20667	1.0
241.07314	100.0
242.08110	27.0
243.08897	8.8
256.09586	3.3
257.10397	5.3
284.03345	4.2
284.14090	4.7
299.05539	3.5
311.11615	1.4
327.14578	6.0
341.16345	1.2
358.12985	1.2
359.13452	1.0
376.13980	3.8
377.14569	1.8
401.21698	1.7
415.23630	1.2
461.20410	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89989	0.8
52.00952	0.8
59.01386	100.0
59.46661	0.8
71.01385	12.0
71.78164	0.9
73.02950	2.2
77.59864	0.9
85.02940	2.4
89.02430	7.7
95.01355	1.0
101.02448	8.1
102.11628	1.1
110.07391	1.0
112.65623	1.0
113.02426	4.6
119.05021	1.6
121.02943	6.1
135.04478	1.3
147.62468	1.1
151.59427	1.0
161.04538	9.1
163.03946	1.9
171.46953	1.1
179.05562	1.9
239.16362	3.2
393.47946	1.0
401.14102	1.2
401.22183	8.2
461.24640	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	461.2399
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
51.64117	0.8
55.01877	2.1
59.01101	1.3
59.01386	27.3
65.54411	0.8
68.73357	0.8
71.01386	32.3
73.02949	16.5
81.45918	1.0
83.01396	10.8
85.02955	17.8
89.02475	7.7
95.01398	2.1
96.19184	1.0
97.02971	1.0
99.00871	6.0
101.01794	2.0
101.02444	49.1
113.02457	18.1
125.02457	1.4
143.20500	1.0
159.02979	2.2
161.04561	11.2
205.77348	0.9
206.31209	1.0
315.18152	42.0
370.16254	1.0
461.24011	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	461.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.3
57.20379	0.9
81.03436	1.5
123.04517	25.8
124.44249	1.1
125.02435	100.0
151.00336	3.7
167.03491	78.7
193.01401	36.6
195.80630	1.0
267.23221	4.7
335.22302	2.4
461.25375	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	461.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80806	1.9
53.82417	2.1
59.01391	2.8
59.40628	2.3
59.79547	2.8
62.36601	2.5
65.98870	2.3
81.03441	5.3
81.75390	2.6
83.05025	19.9
93.03461	100.0
96.02209	2.5
96.96009	2.5
111.04516	59.7
125.64563	2.4
130.80602	2.7
137.02441	63.5
155.03502	89.2
190.95912	2.6
305.24808	16.9
461.29062	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31063	0.9
57.99808	1.0
59.01384	1.3
64.60325	1.1
65.03976	1.6
72.79017	1.0
81.03476	6.1
83.05020	14.0
93.03451	85.6
111.04515	31.5
119.84992	1.1
137.02434	100.0
149.06099	2.1
155.03494	88.2
163.04030	1.2
222.98515	1.1
305.24857	22.6
449.34259	1.2
458.31454	1.1
461.28110	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	461.3275
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
51.09034	0.9
52.54062	1.1
52.93578	1.0
65.70599	0.9
68.06624	1.0
125.02439	7.1
136.05289	5.6
149.06079	74.1
151.04005	1.6
162.06902	1.7
163.07700	1.2
265.25296	1.5
311.25827	9.4
334.55441	1.4
335.29614	13.6
400.29849	14.3
415.32376	10.1
416.30380	1.4
461.32758	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	461.3641
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.37578	0.3
60.99322	0.5
79.00391	0.3
79.35960	0.3
79.93710	0.3
79.98668	0.2
97.46467	0.3
107.04962	0.3
124.19473	0.2
124.66692	0.3
135.75745	0.2
149.05951	0.3
151.04013	0.6
193.10951	0.3
211.55266	0.3
245.89223	0.3
251.27940	0.3
255.37000	0.3
300.96738	0.3
330.15408	0.3
343.29886	0.4
345.31787	1.5
399.36285	5.4
425.34100	0.4
443.35297	6.1
461.36432	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	461.3642
Annotation	Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Peak:m/z	Relative Intensity
51.21378	0.7
54.52330	0.9
60.99311	3.7
97.06955	0.9
109.06581	3.7
130.82077	1.0
141.78369	1.0
254.10751	1.0
343.30130	5.4
345.31592	9.6
357.31802	1.2
374.21753	0.9
379.33615	1.3
399.36301	13.9
425.34338	7.5
443.35345	58.7
461.36441	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	462.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63050	0.2
57.00037	0.3
57.51118	0.2
58.06201	0.2
59.01385	0.4
67.98840	0.2
72.99297	1.0
79.86490	0.2
89.02426	0.3
92.20073	0.5
101.02477	0.3
101.44382	0.2
119.69858	0.2
121.02972	0.3
123.00867	0.6
124.01682	2.1
132.03050	0.3
136.04047	0.5
139.04012	0.3
153.00697	1.2
154.01460	100.0
169.05031	0.6
170.05359	0.4
194.09886	0.3
196.02533	0.3
207.34460	0.2
226.08998	0.4
238.08609	0.3
254.08284	0.5
300.08795	0.6
332.55042	0.3
346.24350	0.3
364.39294	0.3
402.18784	0.4
462.12607	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18838	0.3
60.58462	0.2
73.29189	0.2
78.45118	0.2
78.71401	0.2
99.55145	0.2
137.02376	0.4
138.03221	2.4
146.23427	0.3
167.02216	1.9
168.03017	100.0
223.64412	0.3
256.97375	0.3
462.12567	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	462.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	50.8
72.99718	1.7
75.00870	5.5
76.07077	1.0
79.08752	0.8
86.31968	0.9
93.03492	1.5
119.05027	7.9
121.02949	17.5
136.04027	19.6
137.02438	14.1
167.03487	1.7
170.29405	1.2
181.21432	1.0
208.07777	1.2
226.08694	21.8
238.08716	4.4
238.73233	1.0
254.08238	33.4
282.07666	4.8
300.08768	26.2
358.43494	1.1
462.14093	100.0
480.75940	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	462.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
92.10258	0.9
110.50047	0.9
269.03525	1.1
425.94989	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	462.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
92.19518	2.0
94.24358	0.9
96.52151	1.0
107.43301	0.8
121.92704	0.9
150.77824	1.1
246.96605	1.1
447.28754	0.9
459.35327	1.2
487.74033	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	462.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89629	0.9
59.01385	4.3
59.92865	0.9
61.98835	100.0
71.69739	0.8
72.46421	0.9
75.84583	0.9
80.67159	1.2
87.56457	1.0
96.62434	1.2
101.79823	1.0
140.53227	1.0
160.26237	0.9
402.24594	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	462.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50669	0.4
51.69225	0.4
55.66706	0.5
57.03448	3.2
63.54456	0.5
64.24110	0.4
83.01387	3.1
102.78008	0.5
107.74422	0.6
125.02438	100.0
149.02422	2.5
151.00339	2.3
167.03511	2.6
230.28120	0.6
248.63388	0.7
309.20746	2.6
410.32074	0.6
435.23914	38.8
462.24841	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	463.0884
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
59.01372	3.5
62.86240	0.7
64.72619	0.7
65.18600	0.7
71.01345	1.2
73.41457	0.9
75.00856	4.7
85.13788	1.0
106.82098	0.8
151.00371	1.1
188.83884	0.9
239.91386	1.0
289.76392	0.9
300.02753	100.0
301.03552	77.7
343.04474	1.7
463.08878	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
57.46708	0.5
65.35644	0.4
70.67024	0.5
75.38636	0.4
78.34713	0.5
100.32941	0.5
121.02949	1.0
138.59068	0.5
151.00381	9.8
163.00328	0.9
178.99899	5.9
182.47047	0.6
224.37039	0.6
229.04988	0.6
243.02968	2.0
254.02165	2.5
255.02980	13.0
271.02481	27.4
272.03262	2.5
273.04062	1.9
300.02768	100.0
301.03546	25.4
463.08884	78.3
481.01962	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21189	1.5
53.27380	1.3
59.01381	1.6
59.89758	1.4
62.45189	1.4
71.01373	1.7
75.00880	7.2
89.02426	3.7
91.55679	1.7
93.03460	3.2
109.02946	6.9
121.02991	3.5
125.02438	3.6
133.02992	7.8
135.03001	23.3
135.04468	1.9
137.02449	9.4
149.02451	15.8
151.03998	8.0
161.02443	37.5
163.00391	28.0
164.01138	2.6
165.01918	67.1
176.01146	16.0
177.01932	100.0
190.02721	10.4
202.99821	7.5
204.00629	6.6
205.01408	13.0
218.02148	9.3
221.00990	2.2
239.07257	2.0
255.06519	1.7
265.04996	2.5
266.33194	1.8
281.04297	2.3
289.07278	1.7
309.04172	7.9
317.06906	2.2
327.05130	98.8
345.06052	3.1
373.05746	3.5
401.08664	1.6
445.07974	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48380	1.2
59.01386	12.8
65.26885	1.3
71.01388	13.6
72.99294	2.4
75.00867	6.0
85.02984	2.0
87.00879	14.1
89.02435	2.3
89.44202	1.6
99.00892	1.8
101.02418	2.1
115.00374	56.8
118.88364	1.6
125.02457	16.6
135.03018	21.9
143.12413	1.6
149.02434	7.4
161.02489	5.5
163.00378	3.8
165.01909	8.0
175.02475	100.0
176.00974	1.8
177.01976	14.0
204.00725	3.1
205.01559	2.5
229.05009	2.6
260.96420	1.5
283.06110	5.9
289.06873	1.9
327.05164	26.8
345.06287	5.9
403.19730	1.6
412.28442	1.7
463.08963	6.5
463.22061	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42556	1.6
59.01380	10.8
71.01382	2.9
75.00857	12.3
83.41571	1.4
89.02440	7.6
89.72202	1.8
101.02426	3.4
109.02940	8.9
113.02419	3.4
121.02932	7.4
123.04525	2.4
125.02421	8.1
131.61024	1.7
133.02927	2.9
135.03004	23.6
136.01648	2.6
137.02460	9.0
139.03996	3.0
142.99734	1.6
144.68898	1.8
145.19524	1.6
149.02444	12.5
151.04010	12.2
154.02721	7.9
161.02441	36.5
162.07446	1.6
163.00349	22.3
164.01154	7.4
165.01924	72.9
169.05074	31.4
175.02429	2.2
176.01137	19.7
177.01929	88.3
177.34459	1.6
183.58466	1.6
190.02728	6.9
193.01384	2.4
202.99858	6.5
204.00616	2.7
205.01404	14.2
215.25302	1.9
218.02176	12.8
237.05446	2.1
281.04593	2.1
283.06262	1.9
299.05673	3.2
309.04004	7.8
327.05109	100.0
403.19815	6.4
445.07758	3.4
463.08939	3.5
463.14972	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13066	3.0
73.01103	2.1
75.00854	23.5
78.43790	2.7
89.02434	3.2
109.02947	4.5
125.02405	4.5
125.25034	2.4
135.02998	100.0
137.02444	3.8
149.02426	12.8
159.71121	2.4
161.02422	24.1
163.00380	15.7
165.01924	42.6
176.01154	9.7
177.01926	50.0
190.02757	5.0
198.17992	2.8
202.99919	4.9
204.00595	3.8
205.01428	4.2
217.65424	2.4
218.02222	6.0
283.15710	2.6
309.03976	5.7
314.79227	3.3
327.01477	4.2
327.05145	75.8
373.05917	4.0
374.52960	2.7
463.08652	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	463.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19987	0.7
58.00602	1.3
59.01387	19.3
59.61301	0.8
71.01383	6.0
85.02941	1.4
89.02441	8.7
101.02441	8.1
113.02433	3.9
119.03450	1.0
125.06039	3.4
151.07686	0.9
152.08434	1.0
153.09218	6.0
161.04543	1.6
165.05725	1.1
179.05597	4.7
198.06731	1.2
204.06680	3.6
205.07455	2.2
205.12334	0.9
214.09921	1.6
217.07402	1.0
241.05051	5.0
241.07291	65.6
242.07898	22.5
242.11575	1.0
243.08871	10.0
256.09534	1.7
257.08249	7.5
257.10330	6.6
271.14453	1.4
285.09955	15.4
285.86057	1.1
299.11298	1.3
311.11444	3.9
329.15170	4.0
353.12653	1.8
358.12744	1.1
373.14124	10.5
376.14023	1.5
377.14627	5.3
385.18619	14.0
401.14603	1.9
403.19821	5.3
419.15768	100.0
463.12347	5.2
463.18134	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	463.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
71.01045	0.7
71.01366	6.3
72.99293	1.3
73.02946	1.5
83.01383	1.2
85.02966	1.9
89.02454	1.5
93.03463	15.3
94.17279	0.9
101.02437	11.3
113.02449	5.7
121.02981	1.4
121.23819	0.7
122.03732	1.6
125.96721	0.8
132.31560	0.7
135.04506	1.4
136.01678	1.6
137.02448	61.8
137.06010	0.9
151.00345	4.6
151.03957	0.9
161.04587	1.2
172.69519	0.8
178.99881	1.3
181.08713	100.0
210.31940	1.0
229.89964	0.9
244.71248	0.8
265.97961	0.8
281.06674	68.6
300.02740	3.5
301.03601	35.1
301.07086	5.8
463.08798	6.1
463.16064	28.0
463.25916	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	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53763	0.5
59.01149	0.6
59.01391	11.7
71.01382	11.6
73.02943	2.7
73.45550	0.6
75.00902	0.6
77.22099	0.6
85.02943	4.4
85.69295	0.6
89.02441	4.5
101.02435	7.0
109.68209	0.6
113.02430	3.1
119.03505	1.2
121.02950	100.0
125.02438	0.8
135.04532	40.4
140.92688	0.7
147.80008	0.7
149.02480	0.8
161.04533	0.9
162.26585	0.8
163.03978	4.0
164.04813	12.7
178.99791	0.8
179.05707	0.8
179.07162	11.0
181.08714	0.7
182.05782	0.7
183.07179	0.6
185.50829	0.6
195.06219	0.7
223.06038	0.8
271.02402	0.9
277.61072	0.7
300.02701	1.6
301.03757	2.1
301.07135	4.9
301.10461	0.9
301.20273	2.9
341.12415	1.6
403.23172	0.9
463.08395	1.0
463.26080	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	463.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25142	1.0
59.01383	47.6
63.33934	1.0
67.44729	1.1
71.01379	26.4
83.01395	1.2
84.86624	1.0
85.02960	4.4
87.00856	1.5
89.02436	27.2
99.00869	5.3
101.02431	16.6
109.46766	1.1
111.58438	1.1
113.02453	12.1
119.03483	10.1
121.03001	1.3
124.04121	1.0
125.59092	0.9
131.03468	1.3
151.77689	1.1
152.03542	2.3
153.04340	9.2
164.03523	1.4
165.05563	9.6
165.09535	1.0
166.05130	1.2
168.06665	4.7
175.69513	1.2
178.05075	1.8
179.05589	1.2
180.06670	2.7
188.07124	1.2
206.08163	1.3
208.06198	1.9
223.54660	1.2
235.07216	7.6
238.09618	5.2
250.09665	8.7
265.11942	5.4
283.13010	4.9
326.74539	1.2
375.14172	1.4
445.18323	100.0
459.42123	1.2
463.19470	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	463.2106
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
60.17199	5.7
71.01390	5.2
126.06454	6.5
154.54474	6.0
203.50893	6.1
247.16972	41.3
266.84372	6.6
288.40836	5.8
300.02725	10.5
342.43182	6.6
463.09064	8.6
463.21185	100.0
484.04333	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50777	1.0
58.00603	2.4
59.01385	49.3
71.01379	20.1
73.02933	2.7
75.00858	1.0
85.02943	7.0
89.02438	25.4
95.01396	1.2
101.02451	16.0
113.02438	11.3
118.75169	1.1
119.03492	9.7
125.06075	7.4
137.02446	4.5
139.07588	1.7
143.03473	1.3
146.06087	1.5
148.07674	1.9
151.07611	2.3
152.08418	8.2
153.09218	20.1
161.04565	7.2
174.79749	1.1
179.05634	13.0
204.06688	4.6
205.07394	7.2
205.12289	5.7
214.09863	1.9
217.07413	1.3
223.13306	2.6
241.05188	3.5
241.07307	74.9
242.07849	21.8
243.08875	9.2
256.09473	1.6
257.08096	8.9
257.10519	5.3
271.14651	2.0
285.09988	12.1
311.11435	2.6
329.15134	6.5
353.12439	2.3
373.14127	14.3
376.14053	1.6
377.14603	5.2
385.13937	1.6
385.18680	40.2
401.14590	2.2
403.15210	1.2
403.19775	6.7
412.80109	1.1
419.15735	100.0
424.50479	1.1
427.15274	1.3
463.11713	3.3
463.17618	14.2
463.22717	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10265	0.3
57.03452	4.6
58.83908	0.4
60.81458	0.3
61.18138	0.4
66.42077	0.3
69.30824	0.3
75.75134	0.4
75.86572	0.4
81.03463	0.6
83.01397	1.6
87.46339	0.5
121.02915	0.4
123.04510	13.0
125.02435	100.0
149.02461	0.6
151.00395	2.9
167.03487	45.6
193.01421	38.5
267.23343	0.7
269.24896	3.1
293.24835	1.3
300.02686	3.2
301.03571	0.9
337.23782	2.4
463.09137	2.1
463.27075	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49656	0.9
73.49435	0.8
82.06811	1.0
83.01372	1.6
115.55145	1.0
116.92816	1.0
117.77465	0.8
123.04552	1.0
125.02448	39.3
133.02971	3.7
134.03745	14.1
135.04520	1.5
137.02449	1.3
145.46272	0.9
148.05286	1.8
149.06142	1.3
160.01645	31.1
161.02422	6.5
162.03233	1.2
175.04002	99.4
178.02734	1.1
179.03555	1.5
193.05042	7.3
194.49301	1.0
205.05016	1.8
224.83702	1.0
271.02579	1.1
287.22302	19.9
300.02744	4.9
305.14072	1.7
361.20258	2.3
363.25620	1.4
384.01144	1.0
431.24374	8.8
463.09103	4.3
463.21658	6.4
463.27057	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33421	2.3
64.23491	2.3
84.41230	2.1
120.08562	2.2
134.03705	8.9
160.01633	29.7
161.02423	4.8
175.03998	99.8
193.05003	8.9
194.98732	3.7
271.02368	4.1
287.22290	19.8
300.02780	11.9
301.03534	2.8
305.13831	3.3
431.24490	9.5
463.09320	3.9
463.26996	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
76.82570	1.0
80.50693	0.9
116.92828	1.7
121.02953	1.0
136.05295	4.0
149.02484	4.6
149.06067	57.9
150.03230	8.1
151.03984	1.2
153.01836	2.0
163.03993	1.6
164.04739	6.7
176.01140	30.3
177.01906	5.2
177.05589	2.4
178.02711	4.8
191.03503	90.3
193.01442	1.1
194.02211	5.6
220.10982	1.6
231.99139	1.0
263.09253	2.0
271.22763	15.4
277.10843	4.0
291.12479	1.4
300.02643	6.1
305.13870	5.2
319.15460	2.2
330.23587	1.1
333.17078	2.2
347.18570	2.4
361.20193	10.3
375.21844	2.1
431.31821	1.4
445.26025	1.2
448.24673	4.8
448.31924	8.1
463.08707	6.1
463.26984	100.0
463.34250	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2708
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
50.92332	1.4
55.01872	8.1
57.03474	1.4
57.40571	1.4
59.01104	1.9
59.01385	53.7
63.08037	1.4
71.01379	67.7
73.02945	24.1
78.81980	1.6
83.01387	9.4
85.02951	36.9
87.00898	2.2
89.02440	17.2
90.88901	1.4
92.79414	1.7
95.01373	8.8
99.00890	7.6
101.02443	68.3
107.09581	1.6
109.02945	1.7
113.02444	32.5
119.03487	3.5
143.03487	3.0
159.02979	6.5
161.04570	36.8
179.05690	2.1
185.32758	1.9
190.38409	1.6
225.66069	1.7
288.22168	1.6
300.02917	2.1
301.21701	15.3
375.10248	2.1
421.29730	1.7
463.27115	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	463.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53539	0.9
54.28305	0.9
55.01888	2.5
57.03430	1.0
59.01108	1.4
59.01382	31.4
61.98520	1.9
61.98835	54.2
66.82210	1.1
70.68765	1.0
71.01384	38.5
73.02950	18.5
82.81512	1.0
83.00909	0.9
83.01371	8.3
85.02953	23.5
87.00834	1.6
89.02435	10.6
95.01393	1.9
99.00871	6.3
101.01806	2.1
101.02439	44.9
109.77361	1.0
111.08132	1.1
113.02453	16.3
119.03482	2.4
125.02429	1.2
143.23410	1.1
151.00339	1.7
159.02962	4.1
161.04549	14.9
213.04271	1.1
255.02985	1.8
271.02438	5.5
299.26053	1.9
300.02786	19.2
301.03439	5.7
301.27658	2.1
463.08862	11.4
463.23087	3.3
463.32806	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	463.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03450	2.1
59.01382	27.2
71.01378	35.6
72.45943	1.2
73.02940	15.9
83.01375	7.6
85.02950	20.1
87.00906	1.8
89.02433	8.5
89.02929	1.2
92.19509	2.2
93.03451	1.7
95.01382	2.6
99.00864	5.9
101.02435	38.3
113.02441	15.9
119.03498	2.2
121.02947	6.0
129.01964	2.1
147.00867	6.1
151.12250	1.2
161.04562	14.4
164.95734	1.3
165.01926	1.4
170.05841	1.9
175.00351	1.7
178.99930	1.6
185.58011	1.2
194.81725	1.3
206.30586	1.5
243.02948	1.5
255.02971	2.1
271.02527	7.9
299.25766	1.2
300.02783	20.2
301.03528	7.9
301.27502	5.1
368.90811	1.3
428.42328	1.5
445.30054	1.7
463.08868	17.1
463.23392	16.2
463.32324	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	463.3433
Annotation	7-Oxatyphasterol
Peak:m/z	Relative Intensity
55.17540	2.2
59.34052	2.4
59.60728	2.1
61.43586	2.1
61.94806	2.0
73.57500	2.4
119.05031	5.9
135.08147	5.6
137.06047	4.2
176.72812	3.5
188.57643	2.4
206.19955	2.4
248.49345	2.7
265.25089	2.8
300.02585	5.4
301.12567	2.7
401.34308	21.3
419.35364	35.0
435.34900	4.5
463.08640	3.4
463.34357	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	463.3796
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
52.64055	0.3
67.13390	0.3
125.06105	1.4
135.08163	10.9
146.50313	0.3
147.79193	0.4
154.59610	0.4
195.94034	0.4
199.39236	0.4
205.68459	0.4
280.51431	0.4
329.18283	0.4
338.06967	0.4
403.35953	0.4
421.36905	36.3
463.37967	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	464.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	9.8
61.98844	3.5
68.65609	1.2
68.92632	1.1
71.01373	7.6
85.02966	5.9
89.02426	3.2
91.05536	22.4
101.02435	2.5
113.02451	11.8
115.05499	7.3
117.03446	13.5
119.03516	2.5
131.05026	6.4
135.04550	15.3
143.10815	2.2
145.06586	2.6
149.06094	23.1
154.01495	2.1
159.04520	100.0
161.04535	6.1
177.05542	13.0
189.05579	27.5
201.05516	2.8
279.08737	2.3
297.09818	5.6
301.03088	3.3
302.18561	2.7
320.19525	5.2
464.08942	6.2
464.31042	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	464.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.5
60.68957	2.5
84.70317	2.0
111.36807	2.3
121.05279	2.7
122.06102	9.6
126.45735	2.2
134.06151	3.2
186.09410	2.3
225.18651	2.3
227.11943	2.7
227.76323	2.7
238.11006	2.6
239.11870	4.7
251.12097	7.4
252.12682	3.7
253.13458	58.5
272.38052	2.5
323.31598	2.6
332.14044	5.6
345.14868	3.4
346.15640	12.3
348.17245	45.3
360.17212	10.9
361.17889	2.7
376.20374	15.6
402.30154	2.5
420.19290	73.0
458.36902	2.9
464.18283	100.0
474.08109	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	465.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96857	0.7
53.53600	0.7
56.82634	0.9
58.79966	0.7
59.01382	1.2
61.61901	0.9
65.00309	2.9
78.22881	0.7
78.95914	1.3
80.27008	1.0
85.03006	0.8
92.19424	1.1
93.21392	0.8
115.38512	0.7
136.81665	0.7
165.01892	1.2
267.85776	0.8
306.05444	1.5
320.06906	4.9
321.07547	1.1
322.04868	13.1
330.05289	1.0
337.07233	20.9
344.07019	1.3
345.07709	5.0
346.04764	1.8
360.06363	1.4
361.07275	7.7
362.04318	16.9
364.05780	4.8
371.05438	1.0
374.04361	11.0
378.07431	1.0
389.06705	44.8
396.04907	4.6
404.05347	7.3
415.04376	7.8
432.04846	4.6
447.07349	18.5
465.08316	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	465.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
65.00311	1.6
82.47818	0.8
85.02953	1.3
89.02431	1.0
93.03435	1.2
95.34313	0.9
111.00876	5.3
115.73776	0.9
125.02419	1.0
149.11214	1.1
152.99591	1.8
178.15117	0.9
221.33269	1.0
285.20670	5.3
320.06979	6.7
322.04889	14.0
330.05298	1.8
335.09152	1.4
337.07239	16.0
344.06967	2.0
345.07617	3.7
351.67050	0.9
353.23441	1.5
360.06366	1.4
361.07248	4.1
362.04388	16.4
364.05844	4.5
365.06592	1.1
371.05679	1.7
374.04404	8.3
389.06686	41.5
396.04858	3.9
404.05508	9.1
415.04639	8.7
432.04843	5.4
447.07257	18.6
465.08292	100.0
465.25278	2.0
465.32288	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	465.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18371	1.4
63.76191	1.1
65.00330	9.9
83.09013	1.2
96.95978	1.5
97.02920	10.1
100.28828	1.4
110.36713	1.2
121.02956	6.1
125.02473	3.2
137.02434	7.4
149.99573	1.9
164.01157	9.9
165.01933	100.0
178.74115	1.2
183.02977	8.8
194.51256	1.5
203.07144	1.8
237.27240	1.5
269.00870	6.1
271.06100	16.9
322.37769	1.4
379.22812	1.6
405.42114	1.5
437.08908	29.7
465.08463	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	465.104
Annotation	LMPK12140454
Peak:m/z	Relative Intensity
57.03456	1.9
66.61023	1.7
70.66051	1.7
81.10061	1.7
100.29501	1.8
119.27256	2.0
125.02439	89.7
137.02388	2.6
149.02380	2.0
151.00403	10.8
151.03996	4.2
152.01189	22.2
153.01920	8.3
161.25293	2.2
175.04007	3.9
178.99904	3.6
180.00639	3.1
186.11388	1.8
188.70520	2.3
189.05577	3.3
193.05203	2.9
217.05106	10.0
231.06500	4.6
259.06192	8.9
275.05692	8.5
285.04068	28.2
303.04977	2.2
437.10809	3.7
447.09177	3.9
465.10376	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	465.1035
Annotation	LMPK12140454
Peak:m/z	Relative Intensity
56.47647	0.6
57.03435	3.0
59.01157	0.7
59.01385	12.0
71.01381	6.5
73.02934	1.3
74.12650	0.6
75.00864	2.6
76.17233	0.7
80.57196	0.6
83.01377	1.5
85.02934	1.1
87.00855	0.7
89.02429	5.4
93.03468	1.0
95.01337	0.8
101.02439	4.9
109.02928	1.1
113.02466	4.9
119.03471	1.4
121.02931	4.0
122.03725	1.2
123.04509	4.0
125.02437	93.4
135.04482	2.8
137.02443	6.6
137.06050	1.5
149.01227	0.7
149.02371	5.5
150.03165	1.3
151.00385	13.9
151.03975	7.0
152.01161	9.2
153.01936	12.7
161.02397	1.2
165.01878	0.8
174.03096	1.0
175.02557	1.0
175.03993	17.9
177.01917	24.2
178.99854	16.6
179.05667	0.7
180.00577	2.5
181.01401	5.0
187.07750	0.7
189.05553	1.5
199.04033	11.3
201.01929	2.4
213.05568	1.6
216.04167	1.5
217.05063	16.4
231.06627	1.2
241.05070	13.5
243.02953	1.3
244.07492	1.1
257.04550	1.5
259.06152	7.1
259.09644	3.8
275.05621	8.5
281.06653	1.2
285.04059	66.8
293.07230	0.7
300.02502	2.4
301.03262	4.1
302.03363	6.9
303.05127	40.0
303.08603	1.7
417.11926	3.8
465.10162	100.0
465.23254	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	465.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15861	0.5
57.03431	0.7
59.01381	1.6
61.27079	0.6
63.33170	0.6
65.45550	0.6
67.63612	0.6
71.01381	0.9
71.58188	0.5
77.62543	0.7
81.47771	0.7
84.63535	0.7
89.02393	0.7
101.02420	1.0
107.01407	1.0
109.02931	1.3
123.04525	2.5
125.02439	100.0
131.58028	0.7
137.02443	2.6
139.04015	0.8
149.02446	17.4
151.00371	21.8
151.03998	2.6
152.01135	3.2
153.01935	24.9
158.07083	0.7
165.02005	1.3
165.12341	0.8
167.03462	1.3
175.00409	7.7
175.02545	1.2
175.03984	8.6
177.01926	16.8
178.99867	24.5
180.00623	0.9
181.01440	18.2
187.02480	0.7
189.05562	1.7
189.98369	0.6
191.03505	1.5
193.01506	0.7
195.02933	4.5
199.04051	3.9
205.01474	0.9
217.05083	6.7
231.06569	0.9
240.04301	0.8
241.05057	6.0
243.02956	0.7
256.03745	1.0
257.04611	1.2
259.06088	4.4
275.05640	22.0
284.03354	1.3
285.04053	41.7
299.05600	4.1
303.05121	97.9
313.05661	0.9
339.60266	0.7
341.05176	7.6
343.06671	4.3
351.87625	0.9
360.62604	0.9
405.21408	1.7
437.10934	1.6
447.09390	2.7
465.10309	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	465.1042
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
59.01374	2.6
64.07925	1.1
67.00053	1.1
71.01382	1.3
82.82346	1.1
89.02436	1.9
92.20062	3.6
101.02429	2.5
107.01358	2.1
108.02161	6.1
109.02952	51.0
123.04507	27.0
139.04037	11.0
151.00371	21.5
151.03990	38.7
152.01144	20.7
153.01939	69.8
160.75232	1.4
163.03970	7.3
164.01167	12.2
167.03502	14.1
178.02672	2.8
178.99916	1.4
179.03513	37.6
181.08693	1.3
193.05081	3.3
255.27870	1.2
273.02963	1.7
300.02594	1.6
301.03171	5.7
302.03259	9.0
303.04974	6.7
303.08728	50.9
313.09116	2.6
315.07227	8.6
319.74045	1.3
361.70377	1.6
421.16711	1.5
465.10211	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	465.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.68065	1.8
74.09645	2.2
74.10094	1.6
77.59597	1.8
83.01408	2.2
84.10094	1.8
84.85413	1.7
109.02957	3.0
121.02901	2.1
123.04504	8.1
125.02444	80.9
127.19266	2.2
137.02446	1.9
149.02487	13.5
151.00360	23.9
151.04027	2.4
153.01956	18.0
155.64709	1.7
163.00343	3.7
175.04022	13.6
176.01138	3.8
177.01933	18.0
178.99883	17.9
180.00706	2.0
187.23508	1.8
189.05554	2.5
199.04001	3.8
205.04987	2.7
217.05049	12.4
241.05092	9.7
241.88405	1.9
252.67720	2.2
253.48920	2.7
257.04761	1.8
258.96841	2.1
259.06027	2.7
275.05573	4.3
285.04053	100.0
289.07187	7.1
303.05133	96.5
341.05161	3.3
361.09421	15.8
410.49689	1.9
433.07751	7.9
465.10349	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
53.40664	1.1
56.13710	1.0
59.01372	8.5
60.18438	1.0
65.00330	1.4
71.01369	8.2
73.02943	1.4
75.00869	1.7
78.91884	8.6
83.01338	1.4
89.02438	5.5
97.02953	1.8
97.06579	2.4
101.02392	1.8
105.29865	1.3
107.01359	6.3
113.02435	2.0
121.02905	1.3
125.02418	7.7
131.74315	1.3
137.02452	13.0
139.04056	1.7
145.05014	3.1
150.03233	1.7
151.00369	100.0
151.04004	83.9
151.04970	1.2
164.01176	1.8
165.01932	18.1
175.00345	10.9
177.01949	2.6
187.03947	1.4
187.09769	1.9
193.01382	1.6
193.08667	1.7
244.07449	1.3
271.06146	2.2
285.04129	6.7
285.17221	1.5
289.06845	1.4
303.05209	68.3
303.08688	13.9
303.18216	1.8
349.62640	1.4
361.09406	1.4
375.41077	1.4
437.09045	5.6
465.09973	25.5
465.23734	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04743	5.0
67.70917	5.1
69.38483	4.8
94.59705	4.8
108.90193	9.3
179.37346	6.0
191.05565	8.3
195.01472	6.3
231.03532	40.8
246.53595	6.3
268.94559	5.9
273.04605	33.8
301.04071	6.8
327.05420	18.7
387.07806	25.8
405.08942	100.0
465.11404	6.1
484.08313	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	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04998	3.7
59.01378	8.8
62.32374	4.4
67.13266	4.7
71.01382	17.4
73.02923	7.1
85.02916	6.4
89.02423	4.7
90.68713	4.3
92.20105	6.4
97.85536	4.0
101.02431	27.9
109.02949	26.8
109.10841	5.4
113.02418	8.2
121.02957	5.0
121.44837	4.2
123.04514	79.1
131.05035	5.7
133.88834	4.6
135.04478	6.3
139.04016	9.0
141.90520	4.5
151.03976	41.5
161.04547	8.9
163.03987	9.8
164.01183	33.8
165.05496	5.1
167.07101	5.4
178.02747	5.4
179.03503	100.0
187.10220	4.9
193.05191	5.7
195.06636	6.7
277.22571	5.5
300.02686	8.2
303.08737	88.3
335.70627	4.7
375.51685	5.4
465.14560	33.0
465.23410	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1403
Annotation	Catechin 5-O-beta-D-glucopyranoside-4'-Me
Peak:m/z	Relative Intensity
59.01393	6.7
61.98829	0.7
71.01379	3.6
89.02448	4.9
95.05046	2.0
97.02947	15.9
98.25293	0.8
99.00903	1.0
101.02438	2.1
109.02942	1.3
113.02411	1.5
121.02833	1.0
122.03732	5.1
123.04489	6.3
125.02425	5.4
137.02458	22.4
138.03267	1.1
139.03996	5.6
145.08701	5.4
149.02437	1.9
150.03227	1.0
151.03938	3.6
153.05635	1.3
157.95006	0.9
161.02440	1.0
162.50589	1.0
163.03984	4.7
165.01979	6.8
165.05533	2.0
166.02696	4.6
167.03503	1.7
175.03995	1.1
177.01955	2.0
179.03555	6.2
187.04295	0.9
191.03568	9.7
201.05653	1.5
202.06400	1.5
204.04247	2.0
205.05139	1.4
215.03442	0.9
215.07161	1.1
217.08710	3.9
219.06696	8.3
220.07390	8.1
229.04996	0.9
232.56410	0.9
235.09827	7.2
244.07448	11.3
259.06027	1.0
259.09677	4.3
261.07706	2.2
270.05295	3.9
285.07758	8.8
303.08752	100.0
327.08829	10.0
361.09222	1.1
405.21259	8.0
433.07764	3.5
465.08142	11.7
465.13885	10.3
465.23340	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	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68360	1.1
59.01380	15.6
71.01370	7.0
73.02942	5.8
81.03458	5.7
83.01369	1.9
85.02973	3.0
89.02431	4.8
93.03426	1.8
95.05019	2.3
97.02972	1.9
99.04485	1.8
101.02437	7.0
109.02944	2.3
113.02412	2.4
123.04512	20.5
125.02431	24.7
135.04527	5.0
137.02480	8.9
137.06096	7.7
149.06071	2.5
151.04016	1.7
159.32217	1.4
165.01840	1.8
165.05569	6.6
166.02692	3.1
167.03490	74.9
179.03595	11.2
180.04250	7.1
181.05035	1.4
195.06731	1.5
197.04543	5.5
208.03694	2.4
209.04576	18.1
221.04488	2.7
244.84947	1.3
255.06384	1.6
261.07669	1.4
285.17249	2.5
303.08508	11.1
303.21799	4.6
315.08780	2.9
330.07440	1.5
345.09818	100.0
371.09439	1.8
375.10916	27.9
411.36847	1.7
451.07852	1.3
465.15067	13.7
465.22565	26.7
472.06094	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	465.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55893	1.8
53.99778	1.4
57.12672	1.4
59.01401	1.5
59.19141	1.4
67.16997	1.6
71.01363	2.4
83.13334	1.5
85.02956	1.7
96.86970	1.5
97.02946	3.4
101.02448	2.6
109.02949	2.4
113.02455	2.8
121.02943	8.2
122.03740	15.8
123.04506	7.4
125.02456	40.8
137.02451	81.6
137.06059	10.2
138.03223	1.9
150.03242	3.6
151.00388	1.9
151.03996	9.9
153.01907	2.1
165.01976	4.0
165.05569	10.5
166.02740	3.0
175.03947	4.0
177.01978	6.6
178.99855	3.3
181.01460	2.0
202.06377	2.1
204.04317	1.7
217.04990	6.9
219.45174	2.0
220.07368	6.8
241.04927	3.7
244.07426	23.4
244.93411	1.9
259.09766	21.2
270.05319	2.0
285.04007	18.3
285.07584	6.8
290.82465	1.7
297.90741	1.7
303.05020	12.9
303.08701	100.0
314.11646	1.8
329.13980	2.2
341.65271	1.5
426.75430	1.9
465.09848	20.8
465.14456	16.2
465.23682	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	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
65.00321	2.2
65.04485	0.8
71.01373	1.6
73.02959	1.0
79.35202	0.8
81.03465	1.1
83.01392	1.8
85.02937	1.8
89.02420	0.9
92.19441	1.7
93.03427	1.3
95.05013	4.3
97.02944	19.4
99.04490	1.7
101.02432	4.7
108.02139	1.3
113.02451	1.8
119.05051	2.1
119.26213	0.9
121.02930	1.3
122.03745	4.5
123.04514	5.3
125.02420	5.7
126.61554	1.0
135.04523	2.2
137.02446	26.9
138.03230	1.8
139.04013	6.1
145.05093	8.6
147.04510	4.1
148.01669	2.0
149.02522	1.7
150.03165	1.5
151.03970	5.1
153.05737	1.1
161.02446	1.6
163.03946	6.7
164.01137	4.0
165.01923	36.6
165.05634	1.5
166.02724	4.8
167.03450	1.1
173.06151	1.0
179.03477	6.7
183.02982	1.5
191.03609	1.4
201.05643	3.8
202.06357	4.3
204.04173	1.6
217.08699	7.3
219.06648	8.0
220.07385	10.9
229.04913	1.1
235.09808	9.8
239.05664	4.2
244.07375	15.5
259.09711	6.3
261.07672	1.7
270.05273	4.0
271.06143	2.0
274.00165	0.9
285.07806	8.5
288.06461	1.1
303.08743	100.0
327.08743	11.5
357.09833	1.1
405.21320	7.3
437.08627	7.2
447.12991	1.6
465.14532	7.3
465.23672	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	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34872	1.6
57.03448	2.2
58.11431	1.6
59.01384	19.6
60.71334	1.8
62.40426	1.8
71.01379	12.0
73.91819	2.0
74.88861	1.6
83.20066	1.8
89.02442	20.8
93.03434	2.5
95.36951	1.8
101.02448	3.9
105.11160	2.3
109.02930	22.8
123.04530	51.5
124.01677	4.9
125.02450	67.3
126.46429	1.9
131.03523	3.8
131.05029	100.0
131.06027	3.2
135.04520	17.7
137.02411	3.1
139.04033	14.1
147.04546	2.0
149.04556	4.9
150.03268	2.1
151.00365	7.8
151.04013	35.6
152.01163	14.7
153.02019	4.5
163.04028	10.0
164.01147	23.0
165.05560	8.9
166.06349	11.1
167.07144	48.1
175.03955	3.6
176.01112	2.2
177.02022	2.2
178.02686	2.8
179.03506	58.3
191.03438	2.9
193.05089	4.3
193.08713	2.9
214.25256	2.0
215.48474	2.2
217.05072	8.3
221.08215	17.0
259.06085	11.7
275.05582	4.7
282.08917	2.4
284.66904	2.0
285.04095	17.8
297.11368	70.5
303.05368	4.2
303.08728	70.4
437.10751	3.2
465.09689	57.8
479.64752	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	465.19
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
56.31373	3.4
59.01378	25.6
69.27144	3.5
71.01390	5.2
77.27586	3.6
89.02448	4.2
99.04522	27.9
101.02440	5.5
113.02415	5.3
130.19041	4.7
143.19667	4.3
161.73074	4.5
170.66049	4.4
183.49792	4.0
241.51569	3.5
247.95261	4.9
249.15045	9.0
267.16055	100.0
303.22116	7.1
447.26691	4.6
465.18570	68.0
465.26978	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1918
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
69.03453	1.5
71.01357	2.1
76.24242	1.8
80.69598	1.5
82.46025	1.4
88.62206	1.4
89.01241	1.4
92.20126	1.6
96.95984	1.6
112.97674	1.3
115.26530	1.4
119.05019	7.0
121.02958	100.0
136.37131	1.8
137.02797	1.5
151.02908	1.4
225.12762	3.2
267.10229	16.3
283.59521	1.9
289.15921	3.0
299.16544	1.7
323.94073	1.5
343.15659	10.4
377.78601	1.5
391.15189	1.5
421.20142	6.3
465.19266	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	465.1984
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
53.03608	1.1
59.01381	18.0
60.81279	1.1
71.01376	13.3
73.02928	5.1
83.01379	1.7
85.02927	2.2
86.86405	1.3
89.02435	13.1
95.01334	1.2
101.02444	14.1
101.77305	1.2
104.93262	1.2
108.02139	1.3
109.02889	1.9
110.56004	1.3
113.02396	5.2
119.03429	5.6
121.05010	7.7
123.04510	20.2
123.86078	1.1
137.02359	1.4
137.09731	26.0
139.03986	2.0
151.00400	1.3
152.01176	2.0
153.01944	2.8
153.05562	26.7
155.10774	66.6
156.59689	1.5
161.04466	1.3
167.03490	10.6
167.07135	2.3
168.02954	7.7
169.03275	2.6
169.12248	1.4
177.01952	1.5
181.08749	8.7
199.09770	12.5
212.19614	1.2
234.53043	1.4
241.10757	1.5
283.10349	2.4
296.05356	2.2
302.03412	2.1
303.18115	1.5
311.07739	17.0
372.01089	1.2
405.21277	1.7
433.06750	1.6
465.09143	7.9
465.13608	9.5
465.19550	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	465.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
57.78131	1.2
59.01385	100.0
69.03439	2.3
71.01379	6.4
73.02948	2.0
81.03500	1.6
83.01380	1.8
83.05042	2.6
93.03458	2.5
95.05021	1.9
96.02002	1.7
99.04490	2.4
100.67778	1.3
101.02467	2.1
109.02947	7.1
109.06571	2.6
109.67682	1.3
111.04523	9.1
113.30265	1.6
119.05029	7.8
119.08646	3.1
121.06577	10.0
121.61982	1.3
123.04498	6.1
125.02452	2.2
133.06610	5.5
134.03738	2.0
135.04521	3.2
137.02481	1.7
137.06097	10.7
139.07649	2.7
145.09750	1.5
149.06087	22.4
149.09726	2.3
151.07652	8.7
161.06070	1.8
164.04808	1.8
165.05573	8.1
165.09200	6.4
167.07108	10.1
167.10805	2.1
169.56798	1.6
177.01993	2.5
177.09200	2.6
179.07123	7.1
195.10284	13.8
197.08203	2.1
217.11824	1.6
234.76230	1.6
297.14896	7.3
315.15979	14.9
333.17010	27.8
345.17142	6.2
363.18146	32.5
424.94366	1.6
462.08823	1.8
465.08377	2.6
465.20981	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	465.2343
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
53.32322	0.7
58.06048	0.7
59.01388	16.4
69.51865	0.8
71.00993	1.4
71.01380	36.8
73.02948	13.1
78.72118	0.7
83.01385	4.8
85.02940	12.7
89.02442	14.1
90.20695	0.7
92.62585	0.8
95.01411	1.7
97.02923	1.3
99.00875	6.6
101.01797	1.3
101.02444	30.4
107.01390	1.2
113.02453	18.4
119.03487	2.0
125.02419	5.1
129.01884	1.0
131.03445	3.2
135.04620	0.8
137.02444	9.2
143.03517	1.1
151.00356	5.4
151.04012	4.2
159.02966	4.1
161.04552	12.2
225.13087	0.9
237.34618	0.8
244.07410	1.6
285.03885	1.1
303.05313	1.3
303.08719	11.7
316.18237	0.9
333.19119	7.8
465.23456	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60341	0.8
57.03454	6.4
59.01385	100.0
60.99256	0.9
61.98831	2.2
67.08949	0.8
67.55895	0.8
71.01384	22.9
72.99297	1.1
73.02957	1.1
85.02946	4.2
87.00843	0.9
89.02443	37.5
95.01384	1.2
97.02973	1.0
99.31283	1.0
101.02448	15.6
107.02666	0.8
107.82812	0.9
109.02980	1.3
113.02445	13.1
119.03487	11.4
123.04509	1.1
125.02438	2.0
137.02452	1.3
137.09731	1.4
139.03914	1.3
143.03487	1.7
149.02509	1.7
149.09714	22.6
151.04024	1.5
151.90286	0.9
161.04527	4.6
163.03987	1.3
167.10774	38.5
171.13983	1.0
177.01880	1.0
179.05646	14.2
190.80705	1.0
201.73172	0.9
205.05028	1.8
207.13878	1.1
225.14874	5.1
226.83691	1.0
245.08475	1.1
289.07156	2.1
361.09344	6.8
405.21338	63.6
433.07623	4.6
465.24051	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
58.87830	1.4
59.01385	97.5
61.98820	1.3
69.47032	1.2
71.01379	36.1
73.02946	8.3
75.56976	1.3
79.50068	1.2
83.01406	2.8
83.18204	1.3
84.72320	1.5
85.02944	12.6
86.59987	1.5
88.48920	1.4
89.02439	30.0
95.01392	2.8
99.00850	2.6
101.02442	33.6
109.02943	1.8
113.02449	20.1
119.03493	9.8
124.08143	1.9
125.02441	6.9
131.70193	1.4
132.03024	1.9
137.02492	1.9
143.03510	2.0
149.09705	6.5
161.04544	9.8
163.00386	1.7
166.05077	3.1
167.05504	2.9
167.10777	12.6
179.05647	6.3
181.12317	7.3
184.56273	1.6
196.77275	1.6
201.62009	1.6
225.15024	2.0
243.15994	2.4
259.06158	2.0
273.13260	1.6
303.05057	1.9
345.05991	1.6
405.21310	100.0
418.46732	1.5
465.10120	8.5
465.19302	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66745	0.7
57.03445	0.8
59.01385	84.8
62.26081	0.7
64.53463	0.7
69.03444	0.9
71.01382	32.5
73.02939	9.4
73.26345	0.8
81.03490	0.8
83.01396	3.9
83.04696	0.7
85.02954	15.4
87.00900	0.7
88.98769	0.9
89.02441	19.1
92.19393	1.1
93.03445	1.3
95.01394	2.8
95.49586	0.7
99.00871	4.6
101.02442	32.4
111.04517	1.1
113.02444	20.2
119.03477	8.7
121.02959	1.9
125.02409	5.0
137.02443	3.4
143.03514	1.4
151.00362	4.3
153.01935	6.5
155.03537	3.3
159.02945	1.7
161.04553	12.1
163.00368	4.6
173.04517	1.8
175.02448	0.9
179.05727	2.9
181.12325	4.9
243.16016	1.6
285.03970	1.0
301.95004	0.8
303.05011	1.0
387.20105	1.0
405.21326	100.0
465.10165	9.0
465.23761	1.2
466.53525	0.9
470.97586	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	465.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42363	0.5
60.82977	0.5
63.10369	0.5
69.63428	0.5
70.40500	0.5
78.55663	0.5
93.03429	3.1
93.10558	0.6
97.43637	0.6
105.03439	0.7
111.12104	0.6
121.02985	1.2
121.58669	0.7
122.94426	0.5
132.02216	0.6
133.02934	5.6
149.02469	5.8
150.03255	2.9
151.03990	2.8
177.01929	100.0
195.03009	2.9
246.69112	0.7
269.20953	0.7
272.83902	0.6
287.22266	18.3
293.72498	0.6
447.24396	1.3
465.24963	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2626
Annotation	Kleinioxanthrone 2
Peak:m/z	Relative Intensity
59.01377	31.2
61.98823	5.3
62.68091	4.0
66.99169	4.3
71.01384	17.4
78.95898	37.8
89.02428	5.7
97.76270	4.1
101.02428	7.5
104.92365	4.2
123.04528	69.7
137.06000	5.6
152.99525	4.7
153.05580	100.0
183.10333	7.7
333.20691	7.5
364.71100	4.6
447.23828	22.1
464.95215	5.1
465.14487	19.6
465.20331	9.1
465.26712	67.5
465.32236	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	465.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77502	0.6
51.10253	0.6
59.01384	14.0
71.01379	12.3
72.99293	1.1
73.02946	4.1
77.76093	0.8
83.01407	1.0
85.02945	4.0
87.00903	0.9
89.02450	3.7
99.00925	0.7
101.02422	6.8
103.59135	0.7
113.02468	4.5
119.03462	1.0
125.02425	1.4
131.07147	0.8
271.02667	1.1
273.03018	1.1
285.20749	4.9
300.02838	1.5
301.03174	4.3
302.03384	9.0
303.04153	1.3
303.21780	33.7
433.20938	1.5
447.26053	7.8
465.09454	10.7
465.27176	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	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03476	0.6
59.01386	41.1
69.03397	0.7
71.01379	14.0
73.02945	4.4
74.62836	0.6
83.01384	2.6
85.02967	6.1
87.00889	0.9
89.02441	9.7
94.88203	0.6
95.01424	0.7
99.00868	1.2
101.02440	12.5
112.61214	0.6
113.02444	6.4
115.07696	0.9
119.03506	2.5
125.02409	0.8
161.04568	1.0
243.19611	1.0
285.20752	13.1
303.21747	10.8
405.25064	1.3
447.26227	2.8
465.27087	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	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46009	1.1
59.01387	49.5
71.01392	11.0
73.02945	4.3
83.01376	1.4
85.02946	7.5
89.02425	2.0
89.71088	1.0
99.00830	1.3
101.02439	16.1
111.00895	1.3
113.02420	5.3
119.46615	1.2
120.38293	1.1
125.02420	1.3
161.04532	1.5
181.08690	1.9
203.97693	1.2
283.07278	1.2
285.20541	1.4
303.21762	9.7
318.03384	1.2
338.70862	1.2
341.02417	1.1
354.50800	1.2
447.26303	2.4
465.10132	1.7
465.16495	2.5
465.27087	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	465.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52221	66.7
78.71165	81.4
84.13752	72.1
92.20010	100.0
94.44508	75.6
188.29634	77.5
200.74100	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57179	1.2
59.01387	10.7
64.30809	1.4
72.34783	1.4
110.00021	1.8
121.02898	2.3
124.01624	2.5
125.02457	1.6
133.02902	2.4
139.04019	5.9
151.00362	1.8
152.01149	3.3
153.01952	18.5
165.01834	2.4
167.03481	40.3
199.04036	1.9
252.04005	1.7
256.03812	1.7
257.00934	3.3
258.22458	1.4
271.02487	6.4
272.03497	1.9
273.00494	2.0
279.60818	1.5
281.04645	6.0
282.01660	2.6
284.03268	1.9
285.00421	8.7
285.03540	2.5
286.01245	6.8
295.06125	2.8
299.02127	1.6
299.05460	3.0
300.02710	13.6
301.03619	3.3
313.03519	1.8
319.06097	5.5
331.04538	7.6
332.05539	1.9
333.06421	2.3
341.02930	8.8
347.05481	6.6
363.05081	2.6
374.04117	1.8
375.04947	1.9
402.03619	3.1
403.04443	3.2
419.04150	2.0
449.08817	100.0
467.06314	2.2
467.22656	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	467.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88921	0.4
56.57293	0.5
57.00861	0.4
78.95908	33.1
96.96959	100.0
103.69038	0.4
106.09920	0.5
166.74571	0.4
207.78383	0.5
467.11786	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	467.1197
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
51.98322	1.1
57.03450	2.7
59.01378	8.7
66.83060	1.4
71.00977	1.1
71.01389	5.3
77.10548	1.2
79.87077	1.2
81.03471	2.2
83.01395	1.6
89.02435	5.7
97.02956	1.7
99.04507	5.4
101.02442	6.2
102.88703	1.2
109.02961	14.8
111.04521	1.6
113.02459	1.6
121.02951	5.9
125.02442	100.0
137.02473	20.5
139.04027	5.4
149.02425	5.7
151.03969	5.9
152.70811	1.2
160.50255	1.5
161.02449	59.1
161.08263	1.5
163.00362	1.5
164.01123	3.2
165.01920	15.3
165.54900	1.5
167.03474	12.6
169.63890	1.3
175.04048	2.4
177.01968	9.3
177.05496	1.9
179.03468	9.5
181.14722	1.3
195.03018	13.0
199.86829	1.4
201.05629	1.6
205.01395	1.8
219.06659	6.3
221.04506	2.5
259.06104	2.0
261.07739	1.6
269.04700	10.3
275.49509	1.5
287.05670	13.0
289.07208	3.3
305.06711	36.6
394.03763	1.4
449.10693	2.4
467.11569	69.9
467.21390	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	467.1197
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
50.87501	1.0
50.87769	0.9
57.36701	1.1
66.01343	1.2
66.81485	1.4
66.82243	1.2
72.99303	1.6
83.01374	1.8
89.02438	1.2
91.00372	1.9
92.19489	1.4
97.02993	1.5
109.02959	6.5
121.02982	3.2
123.00852	1.8
125.02442	100.0
127.19839	1.2
137.02448	20.1
138.03223	2.3
139.04022	10.9
149.02473	1.7
151.03964	1.4
161.01161	2.1
161.02454	45.0
164.01173	3.0
165.01932	22.0
165.05595	1.7
167.03490	34.5
175.04044	2.5
177.01944	1.9
177.05566	2.9
178.02710	1.4
179.03519	17.7
191.07182	1.7
195.02998	5.5
201.05594	2.0
203.03477	5.5
204.04285	2.9
218.05884	2.1
219.06601	17.2
219.12247	1.3
221.04518	9.5
225.03120	1.5
242.35841	1.2
261.07574	10.0
269.04474	1.6
286.91861	1.3
287.05685	14.9
305.06699	60.6
309.15280	1.3
329.08585	1.8
357.08389	3.3
449.10904	15.0
467.11993	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	467.1349
Annotation	104-2
Peak:m/z	Relative Intensity
50.42989	1.7
59.01384	100.0
66.32177	2.1
71.01388	2.7
73.02925	2.4
76.11658	1.9
77.77209	1.9
83.01391	3.4
89.02424	4.0
97.06624	2.2
101.02463	4.6
103.03983	2.3
109.02943	13.1
121.02931	2.9
122.03705	10.1
123.04487	10.8
124.01659	4.1
125.02431	17.6
135.04538	3.1
135.74535	2.2
137.02425	8.9
149.02420	9.6
149.06058	4.7
151.04002	12.6
159.04451	3.5
161.02408	19.7
161.06023	3.1
162.03230	8.6
163.04022	3.5
165.01900	11.6
173.06071	11.6
175.03963	22.8
175.07623	2.6
177.05547	4.4
181.08711	16.9
188.04776	2.4
189.05577	12.2
195.10284	2.2
199.07613	3.8
201.05528	3.4
203.07169	2.1
205.05142	4.7
213.05484	2.2
215.07047	2.7
216.04298	2.0
217.05046	5.1
217.08745	2.9
224.10696	2.3
227.03403	4.0
229.05014	2.2
231.02948	4.6
233.08304	2.2
237.11267	19.2
242.02104	2.5
243.02969	20.4
243.06647	3.1
247.06064	2.9
257.04523	10.5
259.06088	3.3
261.07651	4.4
270.05301	2.7
271.02518	27.3
271.05161	2.7
299.05545	4.7
300.06314	4.3
305.10217	32.0
311.16660	4.6
315.08768	24.7
316.09454	2.9
317.10410	2.7
329.17596	12.9
344.09079	7.5
345.09830	8.3
357.14972	2.0
361.58817	2.7
389.19571	3.6
394.06949	4.6
405.13544	4.7
423.10812	50.4
431.11728	2.8
449.12564	34.0
467.13586	93.7
467.21707	9.3
467.28314	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	467.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57059	1.6
51.72441	2.0
53.99301	1.7
59.01104	4.3
59.01386	72.1
71.01387	2.2
73.03662	2.1
81.03455	2.8
83.01384	4.0
93.03491	3.0
95.05045	2.4
97.02948	10.5
101.02419	2.8
109.02965	31.2
109.40344	2.4
121.02936	2.9
122.03709	3.5
123.04483	23.4
124.01665	2.4
125.02457	33.1
135.04497	5.2
137.02443	17.8
139.04021	4.9
145.02904	3.2
146.58157	2.2
149.02454	10.5
149.06114	4.5
151.03979	15.4
159.04535	3.9
161.01048	2.5
161.02440	12.8
161.06035	11.5
162.03194	5.0
164.01157	5.1
165.01913	13.7
167.03362	3.7
173.06163	4.0
175.03975	16.4
175.07590	2.5
177.01927	10.5
177.05571	5.0
179.03528	8.1
183.49512	2.2
187.03975	14.8
187.13454	2.4
188.04822	11.2
189.01976	2.3
189.05565	8.9
190.02628	2.9
191.03418	2.3
199.07533	2.5
203.07172	27.5
205.05051	19.8
212.04645	2.5
215.77136	2.2
217.01427	8.1
217.05125	4.9
221.08165	9.3
227.07231	3.3
229.05179	3.1
231.02901	4.5
237.11331	11.1
243.03030	5.5
243.06514	2.4
245.08121	22.3
247.06073	4.2
257.04614	5.2
259.06378	2.2
261.07587	2.8
265.15549	2.2
271.02502	13.7
271.05957	2.3
281.04510	2.6
289.07184	100.0
299.05728	2.7
305.10355	18.3
315.08636	12.6
341.06683	26.3
344.09000	3.6
345.09711	3.6
373.09375	10.6
389.10327	21.7
394.06830	3.4
404.12564	4.7
405.13406	3.1
407.21289	3.2
419.14893	16.8
423.10828	33.0
435.10977	27.5
449.12332	18.6
467.13513	68.0
467.21536	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	467.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90100	1.3
58.29660	1.2
59.01389	25.5
62.57185	1.1
71.01382	1.9
73.98983	1.2
81.03442	3.1
90.52566	1.5
92.20057	1.9
93.03442	1.9
96.50743	1.3
97.02952	10.0
108.27568	1.4
109.02943	29.4
121.02964	2.6
122.03716	2.5
123.04520	15.8
125.02439	30.0
135.04523	2.8
137.02441	17.4
139.03995	3.1
145.02959	8.3
149.02478	9.6
151.03981	13.3
155.05820	1.5
161.02463	1.8
161.06061	8.8
162.03293	1.5
164.01128	5.2
165.01944	7.5
167.03491	2.9
175.03903	2.1
175.07619	1.9
177.01941	8.1
177.05550	5.7
179.03510	11.3
181.26434	1.4
187.03999	11.0
188.04759	6.9
189.01906	7.1
202.06331	2.9
203.07155	28.0
205.05078	19.2
217.01382	8.3
219.02951	2.1
220.11961	1.5
221.08159	3.0
227.07082	3.5
231.02922	3.4
241.04990	1.9
244.64626	1.3
245.08165	30.2
247.06070	2.6
289.07199	100.0
297.07693	2.3
321.85651	1.4
341.06717	27.3
341.17230	1.7
373.09094	10.8
429.11826	1.9
429.54138	1.4
435.11002	20.6
436.37405	1.7
467.13397	17.0
467.27368	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06261	1.2
57.03441	1.1
59.01102	1.8
59.01386	41.4
62.37568	0.9
65.83072	1.2
69.03474	1.5
71.01388	22.5
71.04996	1.6
81.03468	9.4
83.00893	1.1
83.01359	1.5
85.02953	2.3
89.02441	26.8
97.02965	1.9
99.00916	1.0
99.04521	12.5
101.02437	17.7
101.06066	6.4
109.02953	4.4
109.06605	2.4
111.04558	1.3
113.02436	10.0
115.03979	1.7
117.53136	1.0
119.03526	9.9
121.03002	1.3
121.06627	1.1
121.22123	1.2
123.00848	1.7
123.04486	1.6
125.02438	27.3
129.05650	1.2
137.02448	8.0
139.03996	2.2
141.51080	1.0
145.52719	1.1
149.02531	1.0
151.00345	1.2
151.04073	1.8
161.02391	10.8
161.04514	1.7
161.08228	9.0
163.11246	1.7
164.01060	1.9
165.01924	6.3
167.03448	5.2
167.10718	2.2
175.04018	1.1
177.01878	5.5
177.99980	1.1
179.03458	5.0
203.07195	1.3
219.06606	5.7
221.04460	2.0
245.04437	1.5
261.07788	1.6
269.13940	1.3
287.05582	1.7
287.15039	4.5
289.07166	6.8
305.06631	17.8
467.10950	16.3
467.21375	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	467.2135
Annotation	Ebracteatoside C
Peak:m/z	Relative Intensity
57.03466	1.0
58.29419	0.8
59.01382	43.8
61.74210	0.8
66.41918	0.8
68.74636	0.9
69.03461	1.0
71.01377	21.0
71.05036	0.8
72.99292	1.0
73.02952	0.9
79.27255	0.7
81.03472	6.2
83.01387	1.3
85.02895	2.8
87.04523	6.0
89.02438	28.9
95.01350	1.5
97.02906	1.0
99.00848	0.9
99.04513	11.7
101.02434	19.4
112.02154	0.8
113.02473	10.3
115.00366	6.1
115.04000	3.8
119.03486	8.2
119.08661	4.3
125.02463	5.1
125.09692	1.8
133.01318	0.9
137.08560	0.7
137.09714	4.9
143.03506	1.2
149.09573	1.0
159.35255	0.8
161.04599	1.7
163.07675	0.8
177.01944	1.1
179.05629	1.7
193.07137	1.8
232.68196	0.9
287.14984	1.7
291.07309	5.2
377.95377	1.0
467.11087	3.1
467.21368	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69233	1.0
59.01386	17.9
71.01380	33.5
73.02948	16.0
75.02454	1.0
83.01379	4.5
85.02950	16.8
89.02448	8.9
97.02963	2.0
99.00877	6.9
101.02445	28.3
113.02440	18.0
125.02402	2.6
140.96744	1.4
159.03055	4.3
161.04576	11.1
175.99284	1.1
211.65439	1.2
233.06656	1.6
267.16058	1.5
289.16602	7.4
377.19733	4.8
412.97925	1.5
421.20840	100.0
467.13492	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	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.0
59.16417	1.5
59.65175	1.4
65.59092	1.4
71.01380	24.1
73.02937	7.4
83.01373	1.9
85.02955	9.9
89.02454	12.7
99.00852	2.9
101.02451	20.2
109.02916	2.4
110.90058	1.6
111.00876	2.1
113.02455	11.3
125.02416	1.8
131.03476	7.9
161.04564	3.1
212.60678	1.7
289.16501	6.3
302.59402	1.5
334.51529	1.6
421.20834	100.0
451.31403	1.7
467.12860	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69233	1.0
59.01386	17.9
71.01380	33.5
73.02948	16.0
75.02454	1.0
83.01379	4.5
85.02950	16.8
89.02448	8.9
97.02963	2.0
99.00877	6.9
101.02445	28.3
113.02440	18.0
125.02402	2.6
140.96744	1.4
159.03055	4.3
161.04576	11.1
175.99284	1.1
211.65439	1.2
233.06656	1.6
267.16058	1.5
289.16602	7.4
377.19733	4.8
412.97925	1.5
421.20840	100.0
467.13492	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	467.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15089	0.5
50.28682	0.6
52.84232	0.6
57.35473	0.6
59.01386	100.0
71.01376	1.0
82.40724	0.6
83.01344	0.7
94.92085	0.7
95.05004	1.3
99.04520	2.7
101.02390	1.2
109.02980	1.5
122.03780	1.0
123.04523	2.7
125.02428	4.5
137.02449	2.6
149.09753	0.8
151.04005	3.3
152.04842	1.0
153.05576	2.9
161.02425	1.4
163.03918	1.0
165.01898	1.6
167.03497	0.9
167.07219	0.9
173.06033	0.8
175.03975	2.6
177.02087	0.7
177.12819	1.1
179.03566	0.7
181.08685	4.2
187.03960	0.7
187.11264	1.0
217.04961	1.0
227.03493	0.7
253.12086	0.9
271.02386	0.8
283.17035	0.8
299.25723	0.7
305.06708	2.7
305.10364	2.9
311.16519	13.4
329.17603	21.1
333.75549	0.7
347.18597	1.2
389.19730	4.5
394.06653	0.7
407.20972	1.0
423.10849	3.4
449.12421	2.7
467.13660	4.6
467.22943	10.5
467.28482	1.3
483.81873	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	467.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
58.56785	0.5
59.01383	100.0
71.00418	0.5
71.01366	1.4
73.02943	0.9
75.00845	0.6
77.04073	0.5
78.95918	1.0
81.03467	0.7
83.01363	0.7
85.02976	1.2
89.02435	0.9
92.19412	0.8
95.05013	0.6
96.96008	0.9
96.96969	4.1
97.02999	0.7
101.02435	0.7
108.79440	0.6
109.02952	1.3
116.58197	0.6
121.06497	0.6
123.04501	2.9
125.02411	1.2
130.68982	0.7
133.06586	0.8
137.06117	0.6
139.07643	2.3
149.02481	0.6
151.04030	0.9
151.07622	3.2
157.06549	0.6
161.02489	0.8
172.80695	0.6
173.06070	1.2
173.11937	0.6
177.01915	0.8
189.09250	0.7
197.35480	0.6
203.07120	1.1
205.05098	1.0
209.09746	1.0
213.08975	0.6
216.29329	0.6
223.11316	0.7
225.12859	0.8
227.10747	0.9
231.10281	1.3
235.11221	3.4
237.09239	1.2
245.08130	0.7
253.12372	9.0
268.03824	9.6
269.04544	12.4
271.13358	5.1
289.07205	6.0
289.14459	3.1
295.13367	0.7
305.10556	1.1
311.05811	0.6
313.14453	4.1
331.15479	6.8
341.06656	2.4
349.16580	37.7
407.20303	0.7
423.10818	1.2
431.09875	10.2
435.10587	1.2
467.13434	5.2
467.22717	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	467.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48349	2.0
57.97638	1.6
59.01110	3.7
59.01387	100.0
61.98816	1.8
67.31424	1.7
68.79557	1.4
71.01369	4.4
73.02936	1.8
83.01385	2.6
85.02929	7.7
89.02407	2.0
94.86968	1.7
97.02911	2.7
99.04511	2.9
101.02434	3.4
113.02408	3.9
121.02910	4.4
125.05983	8.8
135.04564	2.1
135.08127	2.0
137.02477	2.0
137.06029	6.8
151.04005	2.2
179.10783	2.2
243.09042	1.9
329.17554	2.2
347.18439	2.2
407.21204	3.0
425.21686	3.0
429.20932	2.3
467.15707	3.4
467.22623	89.1
467.27847	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	467.2288
Annotation	Maoyerabdosin
Peak:m/z	Relative Intensity
57.34964	1.3
59.01386	100.0
59.71248	1.2
59.79528	1.1
71.01382	1.9
72.29241	1.2
73.02943	1.2
79.72488	1.2
81.00923	1.2
85.02975	1.7
99.04495	2.2
109.02911	1.8
111.04527	1.5
123.00880	2.6
125.06065	2.8
130.56825	1.3
134.38490	1.2
135.04503	1.7
137.06094	5.7
138.03210	2.2
139.04007	6.1
163.00383	5.2
163.11308	1.8
164.01080	2.1
167.03532	2.4
179.03490	7.2
207.34456	1.2
260.06729	1.4
299.05768	2.2
353.08075	1.6
365.19916	2.2
380.85736	1.5
383.20691	2.3
407.20911	2.8
425.21982	8.1
467.22903	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.23
Annotation	Maoyerabdosin
Peak:m/z	Relative Intensity
59.01384	100.0
101.59712	0.7
112.77181	0.8
117.37699	0.8
125.02393	1.5
246.32452	0.9
273.14951	1.2
290.59073	0.9
347.18738	4.5
361.54245	0.9
406.47159	0.9
467.10962	3.8
467.22900	11.0
475.02881	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	467.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25978	1.0
59.01385	100.0
61.51686	1.1
75.58167	1.0
89.11215	1.0
91.37766	1.1
105.94440	1.3
175.93713	1.2
270.95670	1.1
315.19730	6.4
325.96466	1.4
333.20734	12.5
397.27075	1.3
467.26227	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	467.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05616	1.0
55.11943	1.3
58.01113	0.9
59.01385	100.0
60.18750	1.0
69.61678	1.0
92.19493	1.4
98.50574	1.1
128.02449	1.6
235.13545	1.4
260.59116	1.3
311.93634	1.3
315.19629	5.1
333.20721	10.4
407.24408	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	467.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.75969	1.3
71.05033	1.6
83.05009	1.5
89.47040	1.7
92.19440	3.1
93.03481	11.2
109.06573	2.1
111.04498	7.1
135.08153	8.2
137.02444	10.4
155.03525	4.0
174.40990	1.6
271.20636	5.4
311.22430	1.9
313.23846	6.3
315.16251	3.3
315.19714	66.3
315.23367	2.9
333.20755	10.2
389.23392	8.6
407.24438	7.7
412.91412	1.7
467.26526	7.6
467.33710	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	467.3165
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
64.08410	4.1
205.15944	27.8
227.34102	3.4
249.14899	17.8
261.86630	3.6
463.37750	3.9
467.31549	100.0
467.37540	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	467.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20743	2.4
63.11555	2.0
71.05025	4.3
75.10361	1.9
77.14008	2.0
83.05029	69.3
111.08137	9.6
121.06599	34.5
125.02445	12.5
126.03246	16.8
127.04011	74.5
139.07649	100.0
165.05551	11.0
283.26559	2.4
339.28906	4.2
357.30063	29.1
405.33374	3.7
423.34833	95.9
449.32803	2.5
467.33780	75.5
478.91211	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	467.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34951	5.8
57.42929	6.1
67.07245	5.8
83.05025	65.0
89.98813	6.2
95.58526	6.9
106.54915	7.3
111.08157	11.5
111.18130	7.0
121.06578	34.3
125.02442	7.0
126.03214	12.4
127.03983	58.6
131.56400	6.8
136.61330	6.2
139.07652	100.0
151.11705	7.0
153.94856	6.6
173.48016	6.2
231.39842	6.6
281.25336	7.4
297.28024	7.4
309.25580	7.1
317.17157	6.5
327.34042	7.0
338.66687	6.5
357.30072	32.0
423.34726	96.3
467.33719	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	468.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	98.5
60.01709	2.8
61.98834	5.5
62.26208	2.2
71.01380	50.5
78.47296	2.2
85.02967	2.6
85.06593	3.4
89.02439	86.8
96.96953	2.8
101.02448	30.9
113.02404	22.3
113.06115	20.5
115.04019	12.9
119.03510	32.2
122.80994	2.5
125.02396	2.7
143.03496	4.8
146.35556	2.3
161.04636	3.9
179.05623	53.9
269.04300	2.3
270.04889	2.6
337.11429	100.0
350.16800	11.4
432.09943	9.0
467.04199	2.4
468.17993	4.4
468.27295	3.0
469.16455	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	468.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55622	1.4
55.38185	1.3
59.01388	19.7
61.62834	1.5
61.98841	2.1
62.86620	1.4
64.81487	1.6
66.94456	1.6
68.04694	1.4
68.81276	2.1
122.06113	2.3
124.07701	6.2
132.04546	7.1
133.05318	8.0
134.06105	2.0
138.05626	3.1
146.40295	1.8
148.04056	3.7
161.04831	14.9
162.05637	2.2
175.05103	8.6
202.08673	3.5
212.10692	2.8
214.12335	3.0
227.08203	7.9
228.06662	2.9
239.08252	12.7
241.09921	6.9
244.09822	14.0
253.09804	3.3
254.10623	12.6
255.11449	10.7
256.09824	8.2
257.12897	8.7
258.11292	7.8
267.07773	7.6
267.11325	2.6
269.09393	2.6
271.24298	2.0
281.09152	6.7
282.10056	19.6
283.10858	8.6
294.18469	2.6
314.09042	3.4
337.19260	3.1
363.17029	2.2
391.15250	2.0
406.17969	14.9
425.17096	7.5
432.15695	2.3
450.16769	71.1
468.17654	100.0
468.23257	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	468.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87247	1.0
54.36829	0.9
59.01385	2.2
59.02142	1.1
61.89680	1.0
61.98815	1.9
66.00727	1.0
71.01370	1.1
79.71605	1.0
92.19432	1.5
96.04586	1.0
109.04225	1.1
122.06088	1.6
124.07622	2.0
132.04523	6.6
133.05342	6.8
134.06114	1.4
140.07185	1.6
148.04005	5.5
160.04019	2.6
161.04829	18.2
162.05600	5.4
173.04700	1.3
175.05148	8.7
202.08772	4.3
203.04637	1.6
209.04239	1.1
212.10692	1.8
214.12340	2.4
227.08275	2.2
228.06670	6.4
228.10503	2.2
229.07425	1.4
239.08237	10.3
241.09802	4.5
242.08266	2.5
244.09804	19.0
254.10622	13.3
255.11406	6.2
256.09775	6.7
257.13007	5.1
258.11377	5.9
267.07834	4.7
267.11386	1.6
281.09314	6.0
282.09982	8.1
283.10901	5.2
294.18610	1.5
314.08981	1.4
363.17139	1.7
406.17767	11.9
425.17273	1.9
450.16742	34.4
468.17825	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	468.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23539	1.6
59.01380	2.2
59.79497	1.5
61.98823	8.8
63.47806	1.5
66.99145	1.8
73.10993	1.5
124.07740	2.5
132.04544	3.0
133.05292	3.6
134.06085	2.4
138.05602	2.1
143.87526	1.9
161.04826	2.4
175.96797	2.1
186.54004	1.8
214.12334	2.5
218.42635	1.7
227.08263	3.1
228.06610	3.4
229.09784	2.1
239.08244	9.3
241.09912	2.4
248.99872	2.0
254.10643	13.6
255.11479	3.3
256.09598	7.8
257.12891	3.0
258.11292	4.4
267.07782	2.6
281.09225	2.9
282.10098	10.6
283.10931	3.3
314.09109	2.1
391.15512	2.2
406.17719	11.9
425.16953	2.6
450.16644	37.8
468.17712	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	468.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.7
69.21797	1.1
81.03481	2.5
83.05047	9.2
93.03455	49.5
94.67655	1.3
111.04514	29.9
120.73602	1.4
137.02457	80.9
155.03508	46.6
285.20734	42.8
292.52695	1.7
441.25003	100.0
468.26773	3.0
468.40594	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	468.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01110	0.9
59.01384	15.8
60.38688	0.6
65.03960	1.0
71.25189	0.9
72.95096	0.9
81.03456	1.3
83.05005	6.6
93.03454	51.5
111.04513	44.6
125.02418	1.0
137.02444	36.8
141.88704	0.9
155.03502	71.1
267.19598	2.1
285.20731	100.0
312.22043	0.9
350.16949	5.2
441.24994	27.3
468.26382	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	469.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
85.17989	0.8
93.03471	1.6
94.44794	0.8
95.64100	0.9
104.08104	0.8
107.01379	1.9
119.05016	8.4
124.35505	0.9
127.71267	0.9
135.04495	1.0
141.72359	0.9
150.99257	1.5
151.00391	26.4
177.01889	2.0
261.40833	0.8
271.06143	100.0
271.09454	4.4
277.89240	0.9
299.99319	1.0
408.27686	1.1
433.11417	14.3
469.08957	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	469.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96332	0.3
57.03442	1.7
57.17428	0.3
59.01375	0.7
63.02392	1.6
65.00330	0.5
67.06768	0.3
83.01385	2.2
90.95618	0.4
96.68192	0.3
101.37716	0.3
103.99554	0.4
107.01400	6.4
121.02909	0.5
125.02428	10.3
151.00365	56.2
151.24474	0.4
152.01151	1.7
153.51077	0.4
169.01486	3.2
178.99861	100.0
188.04778	0.9
195.69180	0.4
202.06375	4.3
213.05669	0.6
261.11316	33.0
263.09259	0.4
270.56824	0.4
271.09836	1.7
287.09296	0.4
289.10815	7.6
315.08713	4.3
340.98993	0.4
343.08221	4.1
425.12723	0.5
441.11987	1.8
446.96765	0.4
451.10297	0.6
469.11459	14.0
469.18225	0.9
489.71588	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	469.1143
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
59.01377	5.5
61.16986	1.3
109.02924	2.1
121.02950	1.7
124.01669	15.1
133.02919	2.4
139.04027	38.1
151.04002	2.9
152.01140	6.4
161.02452	63.6
164.01167	1.7
165.01949	1.8
167.03505	100.0
167.80214	1.4
179.03474	1.5
183.79916	1.4
193.56529	1.4
194.47438	1.3
268.03738	1.7
283.02365	1.6
283.06210	2.6
285.04025	7.6
287.05710	3.1
301.07217	14.2
317.06656	3.1
329.06729	2.5
387.77972	1.6
469.11438	48.4
469.18616	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	469.1506
Annotation	2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01374	2.3
59.56553	0.9
71.01368	1.3
72.06088	0.9
73.02926	1.1
78.95898	1.6
79.24067	1.0
83.01338	1.3
87.63289	1.0
89.02418	2.2
97.02933	2.2
109.02944	6.4
113.02426	1.7
119.05048	1.8
121.02945	2.2
122.03719	9.8
123.04543	8.0
124.01631	1.1
125.02434	15.9
135.04489	1.0
137.02438	16.8
138.03134	1.1
139.04015	4.1
145.02979	1.4
149.02417	6.5
151.03973	1.6
159.04485	1.2
161.02448	6.0
161.06030	2.5
162.03192	6.7
164.01086	2.3
165.01921	33.8
167.03560	1.3
175.03925	1.6
177.05603	1.9
179.03481	4.6
181.08701	2.0
190.02722	6.2
201.05507	4.0
203.07127	2.1
205.05103	7.4
215.07175	2.0
221.08203	6.6
245.08177	2.5
247.06068	9.1
263.09341	8.0
275.12927	2.1
289.07330	3.8
305.06494	2.0
317.10233	2.1
345.09952	2.2
401.16071	2.1
415.06192	1.3
469.14999	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	469.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.0
64.71426	1.7
87.91252	2.1
96.82069	2.0
97.02982	3.6
109.02953	17.3
111.00127	2.1
115.70161	2.5
123.04482	8.9
125.02444	15.7
137.02470	17.1
149.02428	2.7
151.04013	13.4
161.02444	2.3
161.06065	8.9
161.94244	2.6
164.01112	3.2
165.01906	11.5
165.05583	3.4
175.03885	3.3
179.03505	11.2
187.04010	3.2
188.04871	3.6
203.07114	23.4
204.04385	2.6
205.05067	23.6
216.79924	2.5
221.39514	2.2
245.08192	29.5
247.05811	2.3
289.07202	100.0
303.53845	2.1
315.08630	4.8
327.08691	4.5
387.89087	2.5
469.15054	40.8
485.37756	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	469.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00447	1.2
57.03455	3.3
59.01386	81.5
63.15886	1.2
71.01371	12.2
73.02950	3.1
81.03444	1.8
83.01393	2.7
85.02937	7.3
92.19487	2.0
92.68349	1.4
96.96017	6.1
97.02917	2.5
101.02428	11.9
109.02951	19.5
110.39550	1.6
113.02438	3.3
114.35807	1.6
121.02943	3.5
123.04517	12.7
124.01663	8.7
125.02440	47.0
126.72370	1.8
137.02411	11.4
139.04019	11.3
147.08432	1.6
149.02455	5.7
151.04004	11.0
161.04538	5.6
161.06058	3.6
162.05548	1.6
165.01891	6.4
165.09109	1.8
167.03517	8.3
177.05499	2.0
179.03473	9.7
187.04033	6.2
188.04802	6.8
193.75377	1.4
197.36879	1.5
202.06239	2.1
203.07166	16.6
205.05040	19.0
219.06554	1.8
221.08232	3.1
221.11774	2.0
227.07187	3.1
245.08182	19.5
247.06274	2.1
247.13539	5.3
289.07193	100.0
289.10486	3.3
293.17914	1.9
305.06628	11.1
322.34882	1.6
329.10358	8.4
401.34030	1.7
409.17990	26.5
409.22668	11.3
469.15439	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	469.1847
Annotation	8-HYDROXYCARAPINIC ACID
Peak:m/z	Relative Intensity
59.01380	15.4
67.20822	2.2
68.66492	1.9
71.01385	4.9
77.79211	2.5
83.22750	2.2
89.02431	9.8
117.25596	2.6
125.02483	3.4
179.05594	2.6
241.79738	2.6
255.58040	2.5
282.01749	2.6
355.24890	2.7
433.20724	30.1
461.16599	2.6
469.07870	3.8
469.18463	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	469.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88454	1.4
53.79671	1.6
55.91808	1.6
59.01104	2.9
59.01383	61.1
71.01379	56.1
73.02943	11.0
73.11586	1.9
78.95888	1.9
80.23284	1.8
81.03552	2.0
83.01373	2.8
85.02957	19.2
87.00894	3.5
89.02441	57.8
96.14432	2.0
99.00864	12.7
99.08146	19.6
101.02438	49.2
103.04058	2.9
109.06612	3.7
111.08165	2.2
113.02448	32.0
115.04057	3.2
116.05050	2.4
117.05555	2.7
119.03495	16.6
119.05026	2.7
123.04537	1.9
125.02407	4.2
127.07637	3.5
131.03526	2.6
131.07130	3.0
137.02429	8.2
139.07632	12.3
142.99861	11.5
143.03506	3.9
143.07141	27.8
145.02901	15.1
145.05070	4.4
145.08736	2.5
157.08705	56.4
161.04544	9.1
163.06107	21.5
165.01985	2.0
167.07126	4.6
175.68089	1.9
179.05582	4.6
181.07167	23.8
185.08159	7.6
203.08287	23.7
205.07117	4.7
277.12881	4.8
307.14066	9.3
325.11542	100.0
339.93982	2.4
343.12552	24.0
409.17221	12.6
433.13568	13.7
469.13153	3.0
469.19000	41.9
491.06427	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	469.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39329	0.3
54.28300	0.5
55.28582	0.3
57.03452	0.6
58.72338	0.5
59.01388	8.0
61.98843	0.4
66.58400	0.4
66.59886	0.4
71.01380	1.5
73.02934	0.5
81.03475	0.5
86.93530	0.4
89.02442	0.6
92.20139	0.4
93.35722	0.4
97.87842	0.4
108.28219	0.4
113.02377	0.7
120.69017	0.4
122.03736	2.5
123.04523	3.7
125.02441	23.2
137.06075	1.0
149.02464	0.7
153.05582	1.8
155.10832	0.5
161.04584	0.4
168.07870	0.5
181.08714	100.0
189.22607	0.5
221.11777	0.7
325.13098	0.6
409.22470	8.2
425.25354	0.5
451.23529	1.0
464.48608	0.5
469.17416	2.0
469.24707	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	469.2212
Annotation	Neokurarinol
Peak:m/z	Relative Intensity
59.01394	7.5
59.74859	5.2
62.75144	6.2
89.02431	8.1
92.19417	10.1
186.51154	6.9
221.22363	5.8
265.11469	6.2
349.20096	6.2
433.24432	30.5
469.22110	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	469.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08684	6.3
55.07673	6.1
66.47463	6.5
67.74870	6.7
73.51890	6.1
75.00871	29.4
80.92136	6.4
83.15673	6.8
101.78527	8.2
121.02862	8.8
135.02998	47.4
147.84846	8.2
154.97185	7.1
165.12857	28.4
174.01668	38.1
279.23233	33.7
295.22818	13.9
307.22604	27.6
315.19522	12.5
329.21310	31.8
333.20728	100.0
335.22144	11.4
347.22333	59.5
351.21826	72.2
363.21680	8.7
373.20300	14.6
391.21152	11.4
403.20996	10.8
433.22107	67.6
451.23209	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01405	2.2
74.83770	1.4
119.05048	3.6
123.04490	1.8
123.08144	5.6
125.06124	10.9
142.47026	1.5
145.10251	1.6
147.08188	3.2
151.07614	2.1
163.04033	3.6
167.94681	1.6
179.10808	6.5
227.07063	6.8
271.06174	6.6
303.19833	3.5
326.86899	1.4
349.20258	16.8
367.21286	2.5
409.22421	22.7
469.24210	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	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68040	1.5
59.01386	95.6
66.94293	1.7
71.01372	2.2
123.08199	2.3
125.02454	1.9
125.06082	3.7
137.06084	7.4
139.04044	3.6
152.32932	1.5
165.01958	17.9
165.09187	3.2
179.10757	4.0
183.02992	32.1
221.11917	19.7
240.91164	1.9
287.16675	3.3
293.17584	7.0
394.27310	1.6
409.22394	100.0
469.11407	16.3
469.24286	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	469.257
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
51.87026	1.5
57.72471	1.6
59.01367	8.4
69.03467	2.5
83.01405	1.8
83.05022	2.9
88.63866	1.5
90.94854	1.7
93.03460	27.9
111.04498	10.7
114.62963	1.6
120.15762	1.7
120.43517	1.7
137.02443	13.5
155.03523	24.5
167.10754	9.9
170.45793	1.9
177.12857	2.1
179.10793	3.4
179.14400	9.2
195.13898	33.8
205.12309	19.8
205.19768	1.8
205.24716	2.1
223.13406	100.0
242.49728	1.8
245.11636	30.9
279.62601	2.4
313.23907	7.3
332.50067	2.1
333.09085	1.9
434.20358	1.9
469.25739	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2596
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
55.18107	0.6
57.03457	5.8
58.50545	0.7
81.03453	0.9
83.01384	7.7
92.19408	2.3
125.02439	100.0
167.03484	1.3
187.28983	0.9
277.11148	0.8
343.22430	1.1
362.62369	0.9
406.48782	0.8
469.25906	23.2
474.43295	0.9
478.15030	0.8
483.44980	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	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.82657	0.7
69.86066	0.8
84.55198	0.7
89.02430	1.4
90.45058	0.9
91.04001	9.2
111.08167	4.0
223.13426	9.7
237.14948	1.8
252.09030	0.8
289.21475	1.1
313.60269	1.0
317.21213	7.3
335.22290	30.5
404.23520	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	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15308	0.9
59.01382	100.0
71.17962	1.0
74.09276	1.0
74.69843	0.9
77.10041	0.9
82.73862	0.8
83.56190	1.0
83.73295	0.9
89.02427	1.0
91.03989	11.8
92.19482	1.0
95.83915	1.0
95.95423	0.9
111.08121	4.1
147.43098	1.0
223.13425	8.8
237.14958	1.2
274.82672	1.2
289.21552	1.3
317.21289	4.9
335.22250	24.4
425.86154	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	469.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82106	3.4
59.01378	100.0
66.65867	4.1
67.72182	3.7
70.43745	5.3
73.20525	4.2
92.20074	9.6
98.51313	4.0
185.11838	9.7
219.14209	4.4
335.22327	7.7
349.20062	5.6
422.74976	4.7
456.03583	4.4
469.31628	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	469.2807
Annotation	Dendronpholide N
Peak:m/z	Relative Intensity
51.43989	4.3
57.03467	5.5
57.68502	4.8
61.71422	5.3
71.01361	12.9
85.02953	13.2
87.00868	23.5
97.02943	6.3
99.00837	19.5
110.52455	5.5
129.01898	7.7
131.18803	5.4
131.19907	5.0
136.17178	6.0
155.05035	5.0
157.48637	5.1
172.17708	5.6
277.21729	77.8
469.28076	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	469.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62227	1.3
59.01382	100.0
61.25256	1.5
70.07477	1.5
72.16423	1.6
72.61313	1.7
89.06963	1.6
89.26050	1.7
94.68504	1.4
116.92845	58.6
124.50937	1.5
155.10739	5.5
217.54454	1.4
287.22424	2.3
317.21063	3.1
335.22192	12.0
469.31784	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	469.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08760	1.4
53.98823	1.3
54.07109	1.7
59.01402	3.5
60.09154	1.3
65.03963	1.8
71.98404	1.6
81.03457	2.9
83.05044	11.3
83.28304	1.4
93.03452	81.0
94.63916	1.7
96.02146	2.3
101.40495	1.5
111.00849	1.9
111.04511	32.2
111.05202	2.6
137.02443	100.0
137.03513	3.6
137.25272	1.6
147.02124	1.7
155.03494	70.1
209.08096	2.4
211.13347	2.5
243.54860	1.7
251.09239	9.0
305.13870	1.7
313.23892	38.9
349.16534	5.7
351.21875	1.9
352.94901	1.9
379.17715	2.3
404.60138	1.7
469.18069	2.4
469.28339	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76089	0.6
64.87267	0.6
71.01377	7.2
73.19307	0.6
74.95863	0.6
76.96225	0.7
92.19366	0.8
108.02149	0.8
112.16454	0.6
114.01953	20.9
115.00362	15.8
116.97388	0.6
121.07983	0.7
123.04481	1.3
124.62410	0.7
132.03026	22.6
134.03741	14.0
134.13341	0.7
149.06081	38.0
174.05650	2.7
175.04008	3.0
176.07124	0.8
177.04298	12.8
178.02695	1.4
185.19418	0.8
192.06677	17.0
193.05045	10.8
193.17819	0.7
205.07401	1.4
214.52786	0.6
244.12788	0.7
246.07747	2.9
250.58810	0.8
262.88568	0.6
264.08707	4.1
308.07742	8.3
355.10449	2.5
470.13046	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	471.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38618	1.1
59.01365	6.2
61.98818	2.0
67.32074	1.6
71.01371	2.4
81.25246	1.1
89.94918	1.2
93.03455	2.8
100.56484	1.2
109.02931	7.5
113.02436	1.6
120.54095	1.1
123.04480	10.8
125.02435	5.6
145.02905	5.5
151.03979	8.2
165.01881	1.5
177.01917	27.6
181.08698	65.0
182.09018	6.7
183.09073	1.9
187.04022	2.2
188.04764	1.7
189.01978	20.0
190.02759	5.9
191.03496	8.5
203.03552	1.8
216.00659	4.7
217.01405	37.8
218.02202	3.0
219.02994	20.1
229.08649	1.9
231.02986	17.6
257.53754	1.5
271.06113	8.1
281.04584	6.5
289.07144	2.9
297.07632	9.4
311.05609	2.7
341.06677	93.7
435.10883	100.0
471.22940	1.7
471.73657	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	471.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38618	1.1
59.01365	6.2
61.98818	2.0
67.32074	1.6
71.01371	2.4
81.25246	1.1
89.94918	1.2
93.03455	2.8
100.56484	1.2
109.02931	7.5
113.02436	1.6
120.54095	1.1
123.04480	10.8
125.02435	5.6
145.02905	5.5
151.03979	8.2
165.01881	1.5
177.01917	27.6
181.08698	65.0
182.09018	6.7
183.09073	1.9
187.04022	2.2
188.04764	1.7
189.01978	20.0
190.02759	5.9
191.03496	8.5
203.03552	1.8
216.00659	4.7
217.01405	37.8
218.02202	3.0
219.02994	20.1
229.08649	1.9
231.02986	17.6
257.53754	1.5
271.06113	8.1
281.04584	6.5
289.07144	2.9
297.07632	9.4
311.05609	2.7
341.06677	93.7
435.10883	100.0
471.22940	1.7
471.73657	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	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58722	0.5
54.65351	0.5
57.80963	0.5
69.56837	0.4
71.01381	11.7
72.99326	0.7
95.41721	0.5
106.27902	0.5
109.81384	0.5
115.00366	4.9
134.03740	30.7
149.06071	29.3
169.68709	0.5
178.02705	23.5
193.05064	100.0
265.94788	0.5
355.10449	7.8
382.15375	0.5
471.11093	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	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16764	0.7
70.37197	0.7
71.01389	6.2
72.51131	0.5
78.22798	0.6
101.41484	0.6
107.65953	0.6
115.00398	5.4
124.12905	0.7
134.03737	24.0
137.02359	0.8
149.06064	20.4
156.65659	0.8
178.02710	33.8
193.05064	100.0
197.37161	0.6
216.85249	0.7
336.74170	0.7
347.52563	0.7
355.10336	31.4
360.97693	0.7
460.69327	0.7
468.36691	0.7
471.11472	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	471.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
71.01389	1.4
79.57436	0.9
82.14806	1.0
85.02956	100.0
89.02460	5.1
96.96956	4.0
101.02474	1.7
106.27321	1.3
113.02421	1.0
128.03529	19.1
128.58932	0.9
129.00992	1.8
129.01947	50.0
129.03894	5.4
138.74274	1.0
145.06181	1.1
153.93188	1.0
173.04482	1.7
341.10974	11.2
382.96198	1.3
471.13492	4.2
497.21295	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	471.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03558	1.2
59.01375	6.5
64.93024	1.6
71.01375	9.3
73.02953	19.1
73.81826	1.2
81.03442	2.2
83.05025	6.4
85.02937	3.0
89.02440	6.8
92.63976	1.7
93.03454	40.8
99.00880	14.7
99.04503	5.4
101.02426	2.4
109.02956	29.7
111.00850	6.2
111.04504	30.2
113.02442	1.8
115.00392	2.0
119.03517	2.1
119.45798	1.4
129.01906	5.8
133.01408	8.3
137.02455	25.1
139.03984	3.3
143.03487	2.9
155.03525	17.8
173.04544	100.0
183.03011	11.0
187.37904	1.3
190.05557	1.4
191.05750	1.8
241.74428	1.5
297.11981	19.8
341.78311	1.6
471.11816	2.4
471.18112	3.7
478.06793	1.7
482.98395	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51618	3.9
55.01875	6.2
57.03468	7.1
59.01386	72.5
64.77521	4.7
65.24423	4.2
71.01383	100.0
71.09052	4.1
73.02944	33.6
83.01388	29.5
85.02954	68.8
89.02425	11.5
95.01376	7.7
99.00871	10.0
101.02455	83.3
105.31017	5.6
113.02460	70.9
125.02429	19.1
128.01112	8.0
137.02434	6.9
143.03543	7.0
144.06860	5.3
145.43323	5.4
159.02956	6.1
161.04556	79.7
165.04059	5.9
167.03397	7.0
181.12302	6.3
219.13840	6.2
225.84142	5.3
237.14960	29.6
247.13292	5.3
265.14444	55.5
274.93735	5.9
309.06088	7.2
337.16379	5.0
339.77142	5.7
354.47818	5.9
427.19772	70.2
464.35861	5.7
466.23648	5.5
471.18832	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92214	0.7
59.01372	5.3
60.84142	0.7
62.25813	0.8
69.51950	0.9
71.01374	4.0
74.74146	0.8
75.23209	0.8
83.01331	0.8
83.02505	0.9
83.05027	10.2
85.02940	1.0
89.02438	1.9
92.20102	1.7
93.03442	1.0
101.02423	1.7
101.06054	4.2
109.02929	1.2
118.67274	0.9
122.03753	1.2
123.04523	8.1
127.03995	0.9
137.06018	0.9
140.85110	1.0
142.99867	4.8
145.05061	18.3
153.05591	11.9
154.99887	10.9
163.07584	2.0
173.00900	7.8
177.01910	3.5
178.02609	1.1
181.08708	100.0
189.01976	3.5
193.05042	1.6
217.01364	5.5
219.02956	2.1
223.13377	4.2
223.16945	1.3
231.02974	1.0
251.16481	3.6
253.07724	0.9
261.14844	3.1
279.12753	0.9
279.15912	1.6
289.14490	1.1
291.12592	1.6
309.13474	23.6
309.16949	0.9
341.06589	8.2
353.02460	0.9
397.15253	6.7
435.10837	12.8
441.17831	5.4
471.18680	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70853	4.3
59.01383	92.1
61.98825	12.7
71.01377	28.6
89.02426	27.0
97.02933	8.7
101.02426	20.5
109.02949	9.8
113.02445	31.2
116.78611	5.5
119.03483	10.9
121.02966	6.3
123.04603	8.6
125.02491	7.2
137.06102	12.6
137.87436	6.0
139.04033	28.3
147.04530	13.3
147.17276	5.2
151.04008	12.7
161.04558	6.5
163.11292	8.5
164.01193	6.4
165.05609	5.4
167.07098	26.0
175.07655	6.4
175.41380	5.7
177.01945	9.0
179.03522	8.9
181.05061	49.9
181.08623	5.4
187.11296	98.3
193.05154	9.8
196.72015	6.0
203.03508	9.9
203.10797	6.9
205.12350	100.0
217.01443	12.0
217.12444	5.2
231.02916	6.3
249.11276	80.8
291.12485	10.6
319.08221	8.8
341.06693	24.1
427.06906	6.0
433.95032	6.2
435.10950	22.0
439.10611	9.4
471.05051	18.9
471.18127	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.4
59.01388	85.1
62.88692	2.0
71.01389	23.4
77.93711	2.0
85.02972	2.1
89.02451	25.5
99.04488	3.0
101.02442	21.4
107.00463	2.0
113.02435	9.2
115.04009	3.1
119.03508	12.1
120.99642	12.4
121.02952	17.1
140.57381	1.9
175.14832	2.6
193.15991	12.5
211.74179	2.2
237.14928	3.5
249.14906	12.2
306.61121	2.0
309.17078	3.2
435.22382	100.0
471.16949	9.9
471.26004	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	471.2005
Annotation	Terretonin A
Peak:m/z	Relative Intensity
59.01378	44.2
61.98822	16.2
66.70206	6.7
73.70332	6.2
73.80598	6.1
75.66521	7.6
77.75846	5.9
77.92918	6.2
78.84402	6.3
85.03033	6.2
87.65532	6.9
100.85807	7.4
123.04485	11.8
145.02802	7.2
153.05611	14.3
167.03491	8.6
181.08751	76.0
217.01418	13.8
231.02852	7.7
281.35522	7.8
341.06607	33.8
353.14108	7.6
435.10959	34.4
471.19891	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	471.2155
Annotation	Lespecyrtin E2
Peak:m/z	Relative Intensity
52.48584	20.0
59.01369	40.4
67.55198	16.4
71.01395	20.0
72.73964	18.0
75.47948	17.3
84.04026	21.7
263.87531	20.6
272.14972	18.0
291.93259	21.0
346.84988	20.5
435.14523	33.4
471.21671	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	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06822	1.0
59.01384	100.0
61.98819	1.4
71.01376	13.5
73.02940	1.8
85.02944	1.7
89.02441	11.4
101.02448	8.7
113.02430	6.8
119.03539	1.7
137.02460	1.3
143.03438	1.3
152.08368	1.9
153.09198	2.7
159.36613	1.2
161.04553	13.7
163.03918	1.4
168.07457	1.1
179.05589	2.5
187.11308	1.7
193.05083	2.6
205.12242	1.2
227.46750	1.1
231.13890	4.9
243.83540	1.0
249.14886	11.0
411.20486	12.2
471.22815	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	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
63.40745	0.2
71.01391	0.2
80.28762	0.2
109.02914	0.3
122.03723	2.3
123.04519	1.1
132.99086	0.3
137.06044	0.4
145.02931	0.4
145.08684	0.5
151.00447	0.3
156.66200	0.3
177.01923	1.4
181.08708	100.0
182.75443	0.3
189.01903	1.4
216.00626	0.3
217.01352	2.0
219.02951	1.0
224.38960	0.3
231.03014	0.3
271.06100	0.6
279.06384	0.2
281.04483	0.6
283.06082	0.4
292.57831	0.3
297.07776	0.4
341.06720	6.7
343.14032	1.4
370.68994	0.3
435.10913	5.7
471.21994	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74684	1.1
53.01841	1.0
56.99480	1.1
59.01387	100.0
60.05058	1.2
63.55147	1.1
67.62199	1.1
71.01379	22.2
72.99332	1.1
73.02936	7.7
76.75704	1.3
83.01392	2.4
85.02943	9.9
85.39852	1.5
89.02437	2.6
96.96962	2.4
101.02451	19.7
103.04015	1.7
109.24647	1.6
109.38537	1.2
113.02461	6.3
125.02406	6.4
148.05304	6.9
161.04575	9.4
163.06236	3.6
163.07634	11.9
231.72356	1.2
249.14909	7.4
307.10425	2.6
316.64703	1.3
411.20248	55.2
453.43118	1.3
471.22446	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.33208	1.0
61.76919	1.2
63.67296	1.2
66.53997	1.2
70.05156	1.3
71.01380	5.4
73.02940	2.1
85.02937	2.8
86.08218	1.1
92.19431	2.4
101.02452	6.4
113.02454	1.5
161.04552	4.8
249.14958	1.7
325.29935	1.3
355.54263	1.2
363.21869	1.4
388.27875	1.2
411.20319	20.1
428.62372	1.3
452.78070	1.3
471.22253	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	471.2519
Annotation	Homoplatensimide A Methyl Ester
Peak:m/z	Relative Intensity
57.57292	1.3
59.01377	7.7
78.95916	16.9
110.98546	16.6
160.92346	1.7
167.01160	21.5
185.02191	6.2
240.73936	1.6
303.23315	100.0
461.52069	1.9
471.25189	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
91.03986	7.6
97.71709	2.0
102.23920	2.0
124.15401	2.0
125.09715	4.6
148.96652	2.4
200.81598	2.5
237.14867	3.0
307.64154	2.2
337.23904	32.8
466.85065	2.3
471.29758	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	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92266	2.8
59.01382	100.0
60.41982	2.5
66.74846	2.7
66.97823	2.5
72.95907	2.6
73.87534	2.6
86.58558	3.0
91.04001	13.9
160.51477	3.2
173.96680	3.2
251.94762	3.2
337.23837	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78426	0.5
54.21680	0.4
54.39573	0.5
55.20842	0.4
81.77299	0.5
161.04523	0.8
193.07111	0.9
245.98346	0.5
277.21729	100.0
333.02847	0.6
336.94104	0.5
424.55515	0.5
451.36832	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	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41468	0.8
57.03432	1.2
59.01371	4.5
65.53059	0.8
97.06569	1.4
107.93160	1.0
123.08172	1.2
125.09716	67.8
136.12268	1.0
146.96704	0.9
169.08742	1.1
172.63455	0.9
187.09763	41.9
221.19119	28.0
265.18085	22.5
283.19174	26.8
291.30606	1.1
301.20230	6.5
306.84119	1.1
319.22833	1.4
359.14731	1.3
366.19913	1.1
425.02136	1.1
453.28653	4.6
471.29657	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	472.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29675	1.1
59.01386	64.5
61.74575	1.4
61.98827	2.0
71.01380	21.2
83.01310	1.5
85.02936	1.7
89.02444	25.3
89.83378	1.7
101.02438	15.2
109.02960	1.6
110.56890	1.6
113.02450	12.7
119.03465	6.8
125.02419	2.4
138.09253	5.0
146.72496	1.5
150.09232	19.2
151.04001	8.3
153.01920	2.2
160.07687	2.1
177.07910	1.6
188.10817	30.1
201.07950	9.0
202.12315	3.0
202.20293	1.6
206.11873	10.7
215.09509	2.6
220.00290	1.4
230.11862	100.0
250.10785	2.6
257.62823	1.5
274.10852	58.6
437.57150	1.4
472.18179	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42539	2.2
59.10727	2.1
75.12433	2.7
82.72276	2.6
85.73030	2.5
89.61453	2.5
106.26533	2.6
109.02930	15.6
111.00856	5.5
121.02937	5.6
123.04527	11.2
124.98798	21.4
137.02437	2.8
141.99214	2.5
149.02396	5.6
151.00356	12.1
151.03996	15.7
157.01463	14.0
161.02460	12.9
163.00357	14.4
165.01936	25.9
173.04527	5.6
175.00374	11.5
175.03900	3.3
177.01933	43.2
178.02742	13.0
189.01939	13.1
190.02705	4.6
191.03491	13.6
192.00565	3.8
193.01462	5.5
202.99866	5.0
204.00687	2.7
205.01454	22.1
206.02184	4.2
217.01424	3.8
219.02945	3.3
221.00885	3.1
229.05008	13.1
231.02977	4.3
233.00838	3.8
247.06134	4.5
262.01172	3.8
263.01984	3.2
264.02063	3.0
283.66467	2.6
287.28119	2.9
315.05106	40.4
321.02576	23.5
322.03241	6.3
333.06287	35.6
343.04614	6.0
363.69727	2.8
423.04123	3.3
429.08374	5.8
455.06323	5.4
473.07239	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	473.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
91.78819	4.5
97.02879	4.1
109.02905	7.5
112.65614	3.6
121.02950	8.7
121.42989	3.8
123.04504	7.0
124.98799	40.9
125.02411	16.2
137.02409	5.2
141.99063	4.6
149.02428	9.0
151.00348	6.3
151.04037	20.1
157.01424	22.2
163.00395	23.5
165.01944	44.9
167.03471	5.6
177.01952	26.5
179.79063	4.0
181.01428	4.4
193.01369	4.9
205.01491	16.6
205.05031	7.3
206.02203	5.7
227.07098	4.0
229.05034	36.1
233.00909	3.9
247.06041	9.5
249.03897	5.1
271.06100	8.2
315.05142	100.0
333.06223	47.5
333.34961	4.5
343.04715	18.0
429.08340	17.2
455.06149	8.0
473.07251	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49854	2.7
73.83367	2.8
76.03793	2.7
85.34850	2.8
96.99307	3.6
97.02989	3.7
109.02948	18.3
111.52998	3.2
121.02935	15.3
123.00932	3.3
123.04481	4.6
124.98809	51.5
125.02456	17.8
125.10677	3.2
137.02475	6.3
141.99115	6.1
149.02455	18.5
151.00360	18.3
151.04005	16.8
157.01384	29.3
161.02498	6.3
163.00356	17.5
164.01064	5.3
165.01955	55.5
177.01910	29.1
181.01346	3.3
187.04027	4.5
188.04942	3.1
189.02061	5.6
191.03650	4.2
193.01483	6.3
203.07359	4.2
205.01462	19.1
205.05077	6.9
205.08777	5.8
206.02173	5.9
228.19133	2.9
229.05099	26.8
231.02928	15.5
245.00888	4.6
247.06067	13.7
271.06113	4.8
273.04065	4.2
289.07147	4.6
315.05161	100.0
333.06155	64.7
343.04489	24.9
395.32855	3.1
429.08258	24.0
441.04675	4.0
455.06116	6.8
473.07239	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.89505	1.6
78.95911	32.2
86.25369	1.3
89.59093	1.4
93.03440	3.2
96.96046	19.4
96.96962	100.0
96.99299	1.9
109.02951	6.4
121.02910	2.9
123.04475	2.5
124.98805	24.2
125.02432	5.2
137.02429	8.5
141.99051	2.3
149.02428	5.7
151.00349	7.0
151.04044	3.5
154.89224	1.6
157.01407	15.3
161.02432	1.7
162.03247	1.8
163.00400	8.2
164.01155	2.4
165.01917	23.3
168.49901	1.3
173.04538	19.3
177.01924	14.8
184.14174	1.5
189.98969	2.2
190.02751	2.1
205.01440	9.0
205.05067	5.6
229.05064	14.9
231.03082	3.4
247.06104	6.8
271.06073	3.1
315.05179	44.9
333.06165	30.9
343.04529	10.7
361.43808	1.5
372.80255	1.5
397.05499	2.1
429.08368	7.0
455.06271	2.8
473.07217	22.3
473.12964	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	473.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34639	1.1
74.05804	1.2
76.91560	1.0
81.60564	1.0
83.43812	1.3
123.04552	8.0
125.02397	1.9
131.12903	1.1
133.01440	1.9
137.02414	7.8
146.03691	1.2
153.01965	11.5
163.03958	3.7
164.04790	100.0
165.01883	1.6
167.03487	30.8
173.04486	2.0
179.07147	39.7
189.01910	1.9
190.02693	1.9
205.05083	16.3
207.03050	3.9
208.03789	31.8
223.06129	51.9
326.10052	1.5
370.08844	1.7
385.11417	26.0
407.59082	1.4
429.10410	55.3
473.09213	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	473.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26568	0.4
53.59900	0.4
59.01363	0.6
63.07848	0.4
64.36338	0.4
64.39963	0.4
71.01369	0.4
73.54560	0.5
78.95910	37.0
96.96070	6.3
96.96961	100.0
97.29217	0.5
101.02442	2.0
128.57957	0.5
129.05611	0.5
130.34760	0.5
137.02438	2.2
165.91159	0.5
209.31473	0.5
364.11203	0.5
413.16736	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	473.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96343	0.5
51.00833	0.5
53.61220	0.5
54.78995	0.5
59.01391	5.1
71.01383	9.2
72.85324	0.5
73.02948	2.4
74.62122	0.5
74.94090	0.5
78.95913	35.2
85.02952	2.6
89.02448	2.6
93.03458	3.5
95.40720	0.6
96.96071	8.6
96.96964	100.0
99.00904	0.8
101.02435	9.2
111.04546	0.8
113.02458	5.1
119.03449	0.7
129.05612	4.1
137.02443	3.6
161.04590	4.7
168.71304	0.6
173.04558	5.9
192.05701	0.7
213.04472	0.5
236.12009	0.6
251.11362	4.0
259.19040	0.6
259.26779	0.7
413.16702	22.6
473.12903	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	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13334	0.5
59.01390	2.5
67.01906	1.6
71.01388	1.6
78.95907	15.7
87.08276	0.6
89.02427	1.1
91.87479	0.7
92.85042	0.7
93.03452	20.5
96.96031	6.0
96.96964	39.0
96.97603	1.4
111.04507	3.5
129.05568	1.6
137.02444	30.6
150.73192	0.8
155.03494	5.8
173.04550	100.0
193.31500	0.8
223.49628	0.8
244.63828	0.7
299.07718	1.2
413.16635	1.3
473.12943	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	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96646	0.5
53.80219	0.5
54.57107	0.5
59.01370	0.6
68.28918	0.5
71.01397	0.7
72.99310	0.6
73.02941	2.9
83.05041	0.7
83.14468	0.6
85.02940	0.8
93.03453	29.4
96.96964	3.0
99.00860	1.3
99.04489	0.5
101.02464	0.6
111.04522	8.1
114.39710	0.5
115.64030	0.6
129.05556	0.6
137.02446	100.0
155.03522	7.7
173.03105	1.1
173.04538	23.5
185.26866	0.5
299.07776	8.7
473.13007	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	473.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64580	0.3
66.91174	0.2
67.60312	0.3
70.63228	0.3
109.45525	0.4
130.50298	0.3
182.07085	0.3
203.57437	0.3
231.10258	2.4
255.01660	0.3
292.91403	0.4
313.14496	1.6
313.18140	0.4
328.16855	3.6
329.17606	100.0
341.17816	0.7
429.19080	0.4
473.18304	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	473.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93740	0.5
52.41526	0.6
54.39076	0.6
59.01385	7.4
63.43650	0.7
63.56008	0.5
70.64870	0.6
71.01388	13.6
73.02943	4.8
76.31418	0.6
78.95909	37.3
83.01382	0.8
85.02952	5.0
87.00841	1.0
89.02446	6.6
93.03465	1.0
96.96062	6.6
96.96959	100.0
99.00864	1.6
101.02448	16.8
113.02426	6.6
119.03459	1.4
121.59599	0.7
129.05550	2.9
137.02391	1.4
143.03491	1.0
151.04024	0.9
159.02991	1.1
161.04558	7.0
173.04446	0.8
206.81496	0.7
227.31084	0.8
231.01581	0.6
251.11333	5.4
270.93488	0.6
413.16705	44.3
473.12457	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
59.01372	1.0
64.96434	0.4
82.53910	0.4
85.02951	2.4
87.96754	0.4
101.02431	1.8
103.04010	20.4
122.03720	0.9
134.83075	0.4
147.06642	12.7
153.05586	2.5
181.08710	100.0
245.10202	0.5
251.49568	0.5
324.37604	0.5
325.12930	3.7
343.13953	12.7
429.17776	2.5
451.01532	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66556	0.3
53.99672	0.3
56.44639	0.3
69.63249	0.3
86.65128	0.3
92.66409	0.3
94.79779	0.3
131.33275	0.3
149.74403	0.3
153.40637	0.3
165.09203	100.0
266.80951	0.3
473.13382	0.5
473.20322	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11838	1.4
54.30617	1.2
55.64688	1.5
59.01385	43.6
69.10725	1.3
71.01374	8.3
71.40601	1.3
73.02927	3.7
73.55477	1.4
84.42877	1.4
89.02431	5.9
98.46517	1.6
100.69619	1.4
101.02452	7.1
102.85708	1.4
112.98591	1.4
113.02389	3.3
123.04530	2.5
125.02381	2.1
130.43430	1.5
142.69171	1.6
147.11810	14.4
153.09178	1.9
161.04614	1.8
167.03510	16.6
171.11774	2.7
187.11284	10.9
189.12878	33.8
218.60030	1.5
233.11894	11.8
251.12894	100.0
311.16553	7.3
413.17691	23.6
413.22934	2.3
435.88678	1.8
473.12595	3.0
473.23642	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62366	1.6
55.01902	1.9
59.01388	100.0
69.03466	4.1
71.01383	67.6
73.02947	14.0
75.00871	2.4
76.13867	1.8
81.03458	4.0
81.99572	2.0
83.01392	3.5
83.46049	1.8
85.02946	11.6
85.43919	1.7
89.02441	93.7
97.02928	16.3
97.68774	2.0
99.00880	15.9
101.02448	26.0
111.00871	2.0
113.02459	14.6
115.03998	13.5
124.36137	1.9
125.02441	38.7
127.04067	2.2
131.03458	8.1
143.03490	2.9
149.04504	11.8
161.04642	2.1
164.08412	48.4
179.10764	4.6
183.76852	2.0
191.05551	5.0
202.34196	2.1
208.67009	2.0
233.06612	31.1
251.16498	24.5
293.08801	91.9
297.83368	2.0
371.03854	2.4
413.21652	3.2
473.20038	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36219	1.5
59.01385	100.0
61.98835	3.8
69.03437	2.8
71.01380	68.7
71.01767	2.3
73.02946	10.6
75.61160	1.8
83.01376	8.0
85.02947	14.9
87.00877	2.7
89.02438	67.2
95.01385	7.3
97.02949	10.9
99.00840	2.3
101.02447	55.1
111.00871	1.7
113.02437	37.3
119.03497	27.8
125.02438	32.3
131.03444	3.9
143.03516	7.6
149.09726	93.4
161.04538	13.6
162.65335	1.8
164.08702	1.7
179.05635	21.8
221.06659	20.9
228.68015	1.9
245.06595	2.3
263.07700	3.8
323.09830	74.1
343.88232	2.0
383.66824	1.9
473.24051	7.9
489.17841	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76906	1.5
57.78083	1.4
59.01105	2.2
59.01387	55.8
61.86532	1.4
71.01382	36.8
73.02944	18.1
79.23431	1.6
83.01378	3.5
85.02961	15.0
87.00809	1.5
89.02446	50.7
90.35337	1.5
95.01372	2.8
99.00887	8.0
101.02442	33.6
113.02426	17.3
119.03533	11.1
126.78827	1.6
130.23206	1.7
131.03485	2.2
133.40778	1.5
133.59073	1.6
143.03439	1.8
149.04617	1.6
157.44611	1.8
179.05569	2.2
205.07176	2.1
228.80418	1.9
251.16414	2.6
341.16110	13.2
424.58014	1.7
431.32834	1.5
448.97910	1.7
473.20273	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	473.2163
Annotation	Caesalmin C
Peak:m/z	Relative Intensity
59.01373	9.3
59.19582	5.8
62.80159	7.5
81.87196	6.1
91.85063	6.0
92.19470	7.9
110.19302	7.8
113.90894	7.0
135.34285	6.7
150.53410	6.6
210.93358	8.2
213.73067	9.0
220.45396	6.5
251.16426	7.3
365.13266	7.5
473.21527	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.95970	1.7
78.95912	7.5
86.36021	1.6
94.40034	1.8
111.58575	1.8
148.31578	1.7
152.99603	20.4
249.87000	1.7
250.01016	2.2
262.59540	2.0
320.95645	2.1
413.19724	3.1
473.23166	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43932	1.0
59.01387	100.0
65.25539	1.2
114.20471	1.1
128.56003	1.2
152.50957	1.2
235.83061	1.2
246.61522	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	77.9
71.01405	2.0
73.85539	1.5
89.02445	3.6
103.11301	1.7
109.78823	1.9
113.02473	2.5
113.35711	1.9
119.03443	1.6
137.09724	2.0
172.30392	1.7
203.09845	2.0
205.15956	11.4
207.17572	35.5
225.18506	2.2
251.16521	100.0
329.17233	1.8
413.22177	14.9
413.27243	1.9
473.23795	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12723	1.7
55.45031	1.5
59.01385	100.0
59.01685	3.5
66.60855	1.7
71.01387	48.3
85.02966	3.6
89.02443	70.0
92.20149	3.4
93.24239	1.8
101.02438	19.0
113.02460	24.2
119.03500	19.0
119.78030	2.0
143.03537	2.8
161.04590	7.3
163.18427	2.0
175.74489	1.9
179.05630	30.7
184.59790	1.8
207.17558	10.6
225.18523	2.3
233.15384	2.9
251.16570	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00835	1.4
52.76487	1.4
53.44369	1.4
57.26450	1.5
59.01102	3.7
59.01387	82.8
62.02844	1.5
71.01382	12.2
73.02956	3.2
85.02958	6.6
89.02424	3.8
101.02444	15.5
113.02452	3.7
127.49342	2.0
130.97769	1.9
175.31436	1.8
185.99030	1.9
213.01033	2.0
253.29866	2.3
264.05817	1.8
413.21884	100.0
425.82547	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.8
59.01384	100.0
59.82748	1.9
61.98836	11.7
71.01385	44.3
73.02948	12.0
77.87185	1.9
83.01392	3.4
83.05022	9.4
85.02975	17.3
87.00876	3.5
89.02439	32.0
99.00898	2.6
100.07997	2.0
101.02428	34.9
102.52260	2.3
113.02452	20.2
116.92861	3.5
119.03493	12.7
132.30179	2.1
161.04555	10.9
169.13727	2.2
179.05589	3.1
213.20164	2.0
221.06673	10.6
332.18741	2.5
413.21805	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2676
Annotation	Biyouyanagin B
Peak:m/z	Relative Intensity
51.90442	0.5
52.17206	0.5
59.01380	4.0
61.23248	0.6
67.26189	0.7
73.15180	0.7
78.95910	4.6
94.40874	0.6
97.89934	0.6
104.51498	0.7
110.98502	3.2
185.02194	3.5
250.13820	0.6
252.72670	0.6
258.78070	0.7
267.62112	0.6
305.24881	100.0
333.40411	0.6
388.08148	0.7
429.08670	0.7
473.26804	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	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	33.7
63.30475	2.9
71.01388	30.3
81.86880	3.4
89.02448	48.8
92.79695	3.5
101.02454	4.9
107.07915	3.1
109.64478	3.3
113.02401	4.4
119.84639	3.1
151.56032	3.3
179.05609	14.4
195.13852	12.7
223.13432	12.3
262.15195	3.2
293.21234	100.0
293.24576	3.5
379.89233	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	473.2909
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
57.03439	3.0
59.01370	1.9
81.03460	6.6
83.01382	1.6
83.05044	0.9
97.06600	4.1
99.08155	1.1
101.63450	0.7
113.13603	0.5
122.03737	0.5
125.02442	47.3
125.09764	0.9
138.25903	0.5
151.00386	0.9
166.02734	0.7
277.21664	0.4
293.13983	0.7
293.21085	0.6
329.25089	0.5
345.27893	0.5
361.27420	0.6
369.27859	0.6
375.21829	2.3
386.82327	0.5
387.29462	0.6
389.26880	0.6
401.30527	3.9
429.30283	1.7
445.29813	3.8
473.29123	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	473.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08986	2.6
52.44948	2.8
54.91065	2.8
54.91306	2.6
97.01774	2.7
101.90470	2.8
113.66106	3.0
279.23315	100.0
411.32614	16.6
429.33737	29.4
473.27411	53.7
473.33365	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	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01395	1.9
63.16771	0.9
69.03475	4.9
78.95941	1.5
90.44398	0.9
109.06590	80.9
134.03772	2.1
145.11183	1.1
160.01688	6.4
161.02457	1.2
175.03998	21.8
185.02191	2.1
256.53607	1.0
270.36145	1.1
297.24619	4.7
305.24884	52.6
317.28387	3.3
355.30203	1.8
357.31686	57.3
376.31448	1.0
383.33325	1.2
385.34799	26.4
411.32782	18.9
429.33795	46.0
473.27750	10.6
473.33112	100.0
476.91147	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	474.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
57.18257	0.5
57.61056	0.6
57.69701	0.6
59.01363	1.0
61.98836	44.8
65.85119	0.5
66.07831	0.5
66.45890	0.6
67.26395	0.5
79.77267	0.6
81.03457	2.4
89.61211	0.6
99.08223	0.7
101.77463	0.7
106.84143	0.6
125.02433	19.9
129.09242	0.7
131.03741	1.1
133.75233	0.6
137.64894	0.6
159.10239	1.0
203.48131	0.6
234.04208	0.6
281.11734	0.8
358.26703	1.5
367.24881	2.6
387.22263	0.7
411.23907	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16230	0.9
59.01371	4.2
78.95905	19.2
96.96970	1.2
152.99536	4.7
171.00641	4.7
196.60756	1.3
214.04820	2.4
277.21725	100.0
471.13699	1.2
474.26324	50.6
474.32983	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	474.2629
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
59.01391	4.3
59.65630	0.9
62.13240	1.1
78.95903	19.1
84.24905	1.2
127.12234	1.3
140.01208	12.1
143.53055	1.2
152.99596	2.9
188.07916	1.3
196.03816	15.6
214.04793	2.0
277.21732	100.0
295.89792	1.3
337.22238	1.6
474.26294	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22760	1.2
55.03977	1.2
57.03451	3.4
65.88097	1.1
71.01382	8.8
72.99311	2.7
81.90503	1.3
89.02418	6.6
99.76178	1.2
107.05521	1.3
115.00372	37.3
116.60490	1.2
131.04588	1.4
132.03020	5.5
133.01434	100.0
133.05064	44.3
137.59105	1.5
157.96150	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	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05801	0.4
55.51585	0.4
59.01377	2.4
66.67928	0.4
71.01367	0.6
71.49243	0.4
72.97131	0.4
73.02930	0.5
85.02959	0.5
91.39081	0.4
95.54993	0.4
104.37573	0.4
108.02167	11.9
115.02203	0.5
123.04515	16.7
152.01149	44.0
167.03493	100.0
202.05379	0.7
300.94437	0.6
329.08774	0.8
439.10120	0.6
475.14575	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67187	0.6
81.03477	1.3
81.21339	0.6
83.01373	1.2
88.27071	0.7
95.05037	1.7
97.02951	1.4
123.04533	5.8
125.02437	14.3
137.06084	8.5
139.03998	1.1
153.92880	0.7
165.05557	4.2
167.03496	41.2
179.03471	6.2
181.05096	1.2
192.79112	0.7
193.05028	1.3
197.04591	1.7
209.04568	100.0
221.04602	3.5
239.03374	1.1
239.05630	20.0
415.19855	1.6
457.13721	1.2
475.14426	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	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91082	1.1
52.91121	1.2
56.56514	1.1
59.01389	16.6
66.95367	1.3
71.01375	8.7
73.02926	2.3
74.29916	1.2
79.95074	1.4
83.01366	1.5
85.02924	2.2
89.02471	11.1
92.20020	2.4
93.03446	21.3
95.01373	1.5
101.02422	7.8
103.03978	1.2
103.32007	1.3
109.02979	2.1
113.02412	3.3
113.58633	1.4
115.04052	1.3
119.03472	2.4
123.03666	1.7
123.04517	37.1
125.02386	2.5
127.07345	1.3
128.25374	1.3
137.02451	74.6
149.02388	4.7
151.04019	2.4
161.04509	5.8
163.03995	1.6
165.05617	1.4
173.04514	5.4
173.78450	1.4
179.03502	12.0
179.05598	2.3
190.06351	2.3
205.08711	6.4
219.40958	1.4
231.82697	1.3
238.34079	1.5
238.37834	1.5
239.05545	6.6
253.10829	8.1
289.07315	2.0
475.09314	4.0
475.14551	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	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63282	1.0
53.77953	1.0
53.85870	1.0
56.14948	0.9
57.03450	1.3
57.63540	0.9
59.01380	9.5
61.98820	1.1
63.77340	0.9
71.01378	7.1
85.02928	1.7
89.02430	8.9
101.02448	2.2
121.02947	100.0
125.02455	2.3
131.03506	2.7
132.05771	1.1
149.04524	1.4
154.02705	6.5
169.04999	3.9
181.08736	1.3
219.74255	1.2
253.14359	1.5
286.56308	1.2
293.08826	8.8
321.71149	1.3
415.12384	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	475.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61811	0.5
54.60664	0.5
57.03239	0.5
57.03463	9.0
58.27457	0.4
69.03423	0.5
71.01364	0.5
71.40753	0.4
72.99290	0.8
84.30424	0.5
87.04518	5.4
89.02431	1.0
111.18992	0.5
115.00354	0.6
115.04035	1.9
132.03043	0.5
133.01459	5.1
133.05074	100.0
182.25487	0.5
341.10999	0.7
475.16504	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	475.1763
Annotation	Chushizisin I
Peak:m/z	Relative Intensity
58.00594	3.5
59.01385	12.7
83.01386	1.7
89.02409	2.2
101.02405	2.5
106.97653	1.7
119.05009	25.8
134.03683	1.8
135.04533	29.8
146.03769	2.6
147.03412	2.3
147.04530	26.4
165.05618	11.0
179.46344	1.7
239.07310	2.2
253.08746	3.1
254.09415	2.7
265.67438	2.0
267.06699	2.2
267.10342	7.2
268.07367	2.9
281.08209	17.6
282.08987	21.2
283.06094	10.2
295.09668	11.6
297.11292	9.6
309.11334	6.1
311.09225	6.2
312.10046	43.4
325.10852	15.1
326.11667	16.9
327.12402	100.0
359.28073	2.9
445.16870	3.1
455.39801	1.5
457.16687	17.0
475.17743	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26198	0.3
54.06913	0.3
55.23758	0.3
59.01376	3.5
61.38153	0.3
67.59574	0.4
71.01382	3.1
81.92870	0.3
88.07549	0.4
89.02441	4.9
97.02951	0.5
99.00878	0.9
101.02447	0.8
115.03918	0.4
121.02929	1.4
122.03738	2.1
125.02435	1.9
145.31667	0.3
149.04509	0.5
181.08708	100.0
210.62491	0.3
214.01935	0.4
233.06717	1.6
280.50192	0.4
293.08771	9.9
319.75751	0.4
475.18277	10.2
475.24551	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21329	1.8
59.01377	16.4
60.99302	9.7
71.01374	12.0
73.02942	3.4
83.01358	1.8
83.06132	1.8
85.02944	4.5
87.00867	18.0
88.98808	100.0
89.02440	24.8
92.19501	2.0
96.83889	2.1
101.02467	18.0
113.02475	2.9
116.92811	3.3
121.02981	1.9
125.02438	3.0
127.57491	1.9
139.04082	2.2
161.04515	3.8
167.03496	8.2
168.00607	3.0
181.08704	27.8
195.06630	10.7
200.03793	2.0
224.18546	2.0
242.90187	2.0
269.10242	7.4
415.16025	28.8
475.19205	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.9
59.01101	1.4
59.01388	31.5
61.98826	4.5
71.01384	45.9
71.45905	0.9
73.02949	16.4
78.81132	0.9
83.01385	6.5
85.02954	22.9
86.48051	0.9
87.00867	1.2
89.02462	9.8
91.35609	0.8
92.20094	1.9
95.01357	2.1
97.02941	2.0
99.00875	4.2
101.01790	2.0
101.02448	45.5
109.92654	0.9
113.02453	24.4
119.03529	4.2
125.02425	1.5
131.88696	1.0
143.03532	4.2
154.08659	1.0
159.03043	1.0
161.04555	14.2
179.05650	4.1
191.03558	1.9
221.06717	1.5
222.98302	1.1
251.65385	1.1
298.10596	1.2
313.16577	11.2
475.21890	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32066	0.8
59.01383	100.0
61.80774	0.8
62.53098	0.9
71.01373	10.9
73.02939	2.1
85.02946	4.5
89.02431	1.5
97.17034	1.0
101.02443	6.1
104.64177	1.0
107.90985	1.0
112.56784	0.9
113.02411	1.7
115.19518	1.1
155.10733	5.4
199.09740	1.8
253.14435	1.8
397.18512	3.6
415.19708	58.7
475.17798	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66474	1.6
55.01867	2.5
57.03447	2.5
59.01109	2.5
59.01388	74.6
59.31426	1.4
66.22868	1.5
69.03496	1.5
71.01381	85.0
72.67185	1.6
73.02952	30.9
75.00855	1.4
83.01384	16.2
85.02947	35.3
87.00873	5.8
89.02440	35.8
95.01381	8.2
97.02918	3.0
99.00857	6.3
100.79275	1.4
101.01800	3.2
101.02442	74.8
102.72638	1.7
104.38676	1.4
106.65949	1.6
107.77647	1.5
111.72198	1.4
113.02451	38.0
119.03497	13.3
125.02438	1.9
131.03481	2.0
143.03484	2.8
151.41679	1.6
159.03003	3.0
161.04561	25.5
166.06339	1.8
179.05600	20.4
181.08731	2.6
221.06633	5.9
256.78867	1.6
256.88223	1.8
313.16632	20.4
415.23270	10.4
451.99188	1.8
475.21860	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	475.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93947	1.4
57.03435	2.8
59.01384	81.4
61.25166	1.6
71.01400	12.2
71.12753	1.4
73.02942	22.0
85.02967	6.1
89.02434	9.7
92.19505	2.1
99.00839	1.5
101.02433	9.4
107.41199	1.5
113.02448	7.5
119.03448	2.7
134.37752	1.4
161.04552	3.7
173.13385	2.5
181.12360	8.1
191.14445	38.5
235.13385	19.3
253.14449	100.0
268.03708	2.0
269.04565	2.4
346.14578	1.4
415.19543	16.7
415.23502	20.7
439.19650	6.1
475.21356	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	475.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61030	0.5
56.64797	0.6
57.97094	0.6
59.01389	0.8
61.98827	2.6
80.91676	1.4
81.03455	4.2
93.92524	0.6
107.01330	0.7
125.02435	20.9
145.19852	0.7
152.99574	2.8
222.17436	0.7
267.19702	1.0
289.21820	1.3
307.22830	1.1
331.22806	2.8
349.23904	9.4
393.22849	100.0
394.23251	5.4
401.80164	0.7
415.20255	3.1
475.26843	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	475.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82263	0.3
51.81085	0.2
56.18466	0.3
59.01368	0.3
74.61351	0.3
101.78548	0.3
119.03635	0.3
139.25203	0.3
141.99261	0.3
143.94611	0.3
148.81679	0.3
184.63409	0.3
244.22919	0.3
311.16794	0.4
313.18115	100.0
338.36566	0.3
472.28448	0.4
475.23383	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
84.71164	0.4
86.22791	0.3
90.30070	0.4
105.90034	0.4
126.96109	0.4
149.40555	0.4
167.74574	0.4
240.30716	0.4
304.25739	0.4
311.16434	0.5
313.18103	100.0
475.23315	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.247
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
50.97485	11.6
58.14284	17.4
68.55709	12.6
71.01363	22.2
193.04260	13.4
203.49510	16.1
224.94203	13.5
276.02921	15.0
277.21884	100.0
393.23047	16.3
475.24478	71.3
475.34003	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95620	1.6
59.01386	85.0
71.01375	40.8
73.02952	7.7
78.12906	1.8
80.27022	1.7
82.55112	1.7
83.01382	3.7
83.83868	1.9
85.02959	9.2
87.00862	2.7
89.02454	23.5
89.95571	1.9
95.01434	2.2
99.00922	2.5
101.02454	37.4
113.02453	21.7
119.03474	7.6
131.03502	3.0
142.73521	1.8
159.03009	3.0
161.04514	15.0
179.05600	4.2
211.35735	1.8
219.56386	1.9
221.06590	10.9
251.55202	2.1
352.89206	2.3
361.90109	2.2
415.23431	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	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91906	0.9
59.01387	100.0
65.04594	0.9
65.19082	0.9
70.26680	0.9
71.01383	11.2
73.02952	2.5
85.02962	5.3
89.02430	1.8
92.20050	1.1
99.00871	1.2
101.02437	9.2
113.02444	6.1
161.04546	5.3
352.52878	1.0
415.16055	2.0
415.23386	21.0
475.25562	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37621	0.7
59.01387	100.0
65.30524	0.8
66.92162	0.8
71.01376	8.2
71.15638	0.8
73.02930	1.7
82.76073	0.8
85.02950	3.3
89.02445	2.1
92.20046	0.9
99.92080	0.9
101.02437	6.6
113.02438	1.6
130.63895	0.8
140.39719	0.9
161.04565	2.1
201.06099	0.9
368.73541	1.1
396.51068	0.9
415.23425	29.8
475.19107	1.7
475.25598	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	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78258	0.8
57.46818	0.8
59.01385	100.0
69.20216	0.9
71.01374	11.3
71.60724	1.0
73.02947	1.5
83.97251	1.0
85.02959	1.2
89.02434	4.7
101.02433	8.8
113.02429	4.0
161.04550	1.9
199.23836	0.9
305.34723	1.0
313.06854	1.3
397.22540	1.5
415.23489	34.9
475.25549	19.7
490.07272	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	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	2.7
59.01386	55.4
71.01381	21.6
73.02940	9.4
75.00866	1.8
83.01391	2.1
85.02944	13.6
89.02439	3.2
91.99438	1.4
95.01379	1.8
99.00893	1.7
101.02448	32.9
113.02432	12.7
159.03012	1.6
161.04556	8.0
247.43222	2.0
263.08325	1.5
329.06033	1.9
415.23395	100.0
465.76816	1.6
466.78253	1.4
475.25668	5.7
475.31140	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	475.2703
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
56.74315	1.3
58.84457	1.2
59.01382	2.2
61.98825	3.8
78.95905	7.8
83.32529	1.4
89.36724	1.4
91.52683	1.5
91.65670	1.6
92.19476	2.9
97.06580	2.0
111.54331	1.4
125.09717	15.9
132.55270	1.5
152.99512	3.0
161.02469	5.2
185.11835	13.3
187.14969	2.0
189.12862	2.5
203.14427	3.3
205.12309	12.4
209.11867	8.0
213.12871	8.9
221.15475	7.2
221.19144	1.6
231.13863	17.3
233.11751	8.2
249.14926	11.7
253.72588	1.6
287.16345	1.5
289.14523	2.0
339.23322	7.5
357.20810	1.8
373.24042	3.4
383.22345	12.2
401.23444	2.3
431.24503	8.9
457.26016	100.0
475.27042	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2705
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
57.59826	0.6
67.26649	0.6
93.03450	3.0
105.03440	1.4
121.02932	1.5
123.04519	0.8
126.76405	0.6
133.02985	5.9
135.25723	0.6
144.18741	0.6
146.55286	0.7
149.02423	6.9
150.03191	2.7
151.03958	2.8
163.07628	1.1
177.01935	100.0
195.03012	2.2
297.24335	16.2
311.29504	1.1
457.26016	1.0
475.26953	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	51.0
62.16076	2.4
64.28910	2.5
68.47871	2.4
71.01376	38.1
89.02429	57.7
101.02432	13.6
104.82166	3.0
110.47299	2.6
113.02451	13.1
119.03470	3.2
143.03470	3.2
147.71446	2.9
148.70197	3.5
163.19011	2.8
179.05600	18.4
194.18947	2.6
195.13881	24.1
213.96115	3.5
261.89178	3.1
277.21652	18.3
295.22794	100.0
314.03967	2.9
357.07938	2.8
475.38205	4.7
494.96863	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	475.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41324	0.7
59.01384	12.7
65.53650	0.8
68.59875	0.8
70.45370	0.7
71.01373	7.3
71.18216	0.8
73.02945	2.2
75.00859	1.7
85.02964	4.3
89.02444	6.1
101.02437	6.2
106.61848	0.8
107.90115	0.9
112.83317	0.9
113.02470	4.0
114.68912	0.8
119.03498	1.1
125.02411	4.0
125.09702	1.9
135.00832	1.0
139.11342	1.0
151.04083	1.1
165.09088	1.9
167.03500	2.0
171.10254	5.5
183.10341	1.0
197.11874	1.0
199.09761	1.7
201.11336	37.4
231.13954	2.2
277.21796	5.8
295.22781	8.6
313.18188	1.1
313.23843	25.4
363.16507	1.3
475.06454	2.1
475.29150	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	475.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28823	3.9
59.01385	70.3
61.17918	4.0
68.09012	3.4
71.01377	62.3
85.02950	5.9
86.08630	3.8
89.02443	100.0
92.20125	8.1
101.02464	7.8
113.02448	22.6
119.03492	10.1
161.04510	7.2
163.07500	4.8
171.10237	19.8
179.05547	42.2
194.74001	4.1
277.21747	22.7
295.22733	48.9
297.21753	4.3
311.29529	6.0
390.28583	4.4
475.38040	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	475.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65708	1.1
58.69247	1.3
59.01389	15.5
59.08075	1.2
61.57992	1.3
61.98844	1.5
71.01379	13.1
71.99862	1.4
83.01384	3.0
85.02942	6.1
88.90054	1.3
89.02412	3.3
101.02437	9.1
113.02440	3.0
138.25130	1.4
166.20985	1.6
172.55753	1.8
199.18475	1.5
295.22794	2.2
313.23880	35.4
353.93179	1.4
355.24908	2.4
457.28119	2.9
475.23834	4.6
475.29150	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	475.3794
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
52.00624	1.9
63.95801	1.8
95.21970	1.9
96.95976	3.0
122.03764	3.4
143.71712	2.1
163.07660	58.0
199.82698	2.2
228.67610	2.2
311.29553	100.0
348.13239	2.2
420.11398	2.6
475.38000	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96899	0.2
54.15728	0.2
75.59297	0.2
79.10872	0.2
91.31444	0.2
92.20116	0.5
92.92066	0.2
137.02408	0.8
138.03242	2.0
167.02245	2.6
168.03018	100.0
428.39249	0.2
476.14099	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	476.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	24.4
60.01723	3.5
60.19694	1.3
61.01825	5.2
61.98835	100.0
65.54976	1.3
74.30412	1.5
87.26826	1.3
88.61935	1.5
96.34112	1.3
127.17962	1.4
178.57050	1.6
280.98306	1.6
389.10806	1.9
416.22882	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	476.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40784	0.8
61.98838	100.0
92.19430	1.5
99.35568	0.9
131.37294	0.8
287.20920	0.9
304.31851	0.9
314.90079	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76060	0.5
58.13406	0.5
67.75567	0.5
69.01080	0.5
78.95489	1.0
78.95909	13.9
94.73849	0.5
105.18469	0.8
140.01180	6.7
146.83624	0.6
152.99535	1.3
154.17543	0.6
165.45296	0.5
196.03798	10.3
214.04785	2.1
279.23303	100.0
382.94070	0.6
401.02704	0.6
476.27826	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66584	1.0
57.41781	0.8
59.01385	1.2
60.93653	0.8
69.09167	0.9
78.95912	26.0
96.96991	1.2
152.99605	7.1
161.02466	2.2
162.02751	1.3
171.00648	11.2
174.90733	1.1
214.04927	2.0
279.23309	100.0
476.27823	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63659	0.7
53.42675	0.8
78.95908	100.0
96.96954	7.8
109.34281	0.9
117.84482	1.0
128.40269	0.9
132.59975	1.1
144.90689	0.9
152.98441	1.5
152.99597	28.5
171.00638	36.8
188.37015	1.0
279.23227	1.7
402.23993	1.3
476.27841	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98661	0.4
59.01384	10.5
61.98808	0.5
62.20412	0.3
62.85960	0.3
67.45185	0.4
71.01384	4.7
71.19761	0.4
73.02924	0.7
74.74853	0.4
85.02931	0.7
89.02408	0.9
91.78695	0.4
94.65361	0.4
101.02444	3.0
113.02410	2.0
114.22561	0.4
118.44061	0.4
119.03487	0.6
130.62793	0.4
132.56143	0.4
137.09676	2.8
145.08702	0.9
153.01776	0.4
153.05540	0.5
155.10796	9.6
161.04440	0.6
167.07188	3.1
181.08704	1.0
182.04588	0.8
183.04881	0.5
197.11812	0.9
199.09761	2.2
211.06273	0.5
223.13278	0.5
241.14409	2.6
272.03311	0.8
299.01907	1.7
300.02762	100.0
314.04434	1.4
315.05127	86.9
359.17230	1.6
385.18875	3.8
439.20126	0.9
477.10019	16.2
477.19073	6.1
477.25568	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	477.1043
Annotation	Tamarixetin 7-glucoside
Peak:m/z	Relative Intensity
59.01385	2.3
59.28524	0.9
69.89568	1.1
71.01390	2.5
79.92617	1.0
85.02975	1.7
92.20023	1.5
101.02424	4.3
109.02916	1.7
113.00150	1.0
113.02416	2.2
121.02917	2.0
126.79421	1.0
141.55363	1.2
156.10406	1.2
165.01903	14.8
189.27580	1.1
259.64951	1.1
269.04413	1.3
271.02527	14.5
285.04239	1.6
299.01978	88.1
300.02780	10.2
314.04346	77.3
315.05157	35.6
315.18060	1.2
327.98730	1.2
477.10419	100.0
477.22501	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08066	0.8
51.72222	0.9
55.67774	0.8
59.01379	5.4
59.23856	0.9
61.15461	0.9
68.39204	0.9
75.72597	1.0
75.78085	0.9
103.95115	0.9
125.50373	1.2
135.23151	1.1
167.03487	1.9
168.02969	1.1
179.47330	0.9
271.02454	9.3
299.01968	71.0
300.02774	32.2
313.03378	1.4
314.04288	21.0
315.05136	59.8
329.02985	9.9
370.79001	1.1
462.07996	18.2
477.10416	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	477.104
Annotation	Tamarixetin 7-glucoside
Peak:m/z	Relative Intensity
57.03447	0.4
59.01101	0.6
59.01383	9.3
68.42390	0.3
71.01370	4.0
73.02949	0.7
85.02950	0.5
87.32286	0.4
89.02441	2.3
92.19444	0.7
92.26110	0.3
101.02435	1.8
113.02436	0.6
135.04561	0.4
137.09724	3.6
145.08684	1.4
150.05551	0.4
155.10777	10.4
158.69406	0.4
159.10394	0.4
167.07150	3.4
169.12419	0.5
181.08650	0.6
182.04576	3.1
183.04881	2.1
199.09720	3.0
211.13417	0.6
220.76123	0.3
223.13387	0.5
235.33820	0.4
239.13004	0.4
241.10809	0.8
241.14485	0.8
272.03348	0.7
299.02072	2.0
300.02759	100.0
314.04340	1.5
315.05121	78.6
320.96835	0.4
359.17120	0.7
381.15918	0.4
385.18631	3.0
439.19846	1.3
477.10464	14.1
477.19830	7.4
477.29974	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	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
61.90275	0.7
89.02414	1.3
92.19413	1.0
99.28053	0.8
119.04980	1.0
128.73167	0.7
131.05009	1.0
150.10318	0.9
151.00346	1.7
161.49066	0.8
178.99934	0.9
197.28192	0.7
214.45505	0.8
243.00439	1.0
243.02968	29.0
257.04514	11.7
268.62952	1.0
270.01672	1.1
271.02481	36.1
271.05350	1.7
271.85583	0.8
285.04044	29.5
286.04730	8.2
299.01993	10.0
300.02728	6.9
314.04340	55.2
315.01483	4.2
315.05118	7.8
316.15024	0.8
330.03818	3.9
331.04608	1.6
477.10382	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	477.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.8
61.98835	100.0
71.01382	13.1
73.02947	5.6
73.51511	0.7
74.22965	0.6
75.21248	0.7
76.88937	0.6
83.01391	2.6
85.02954	8.1
89.02434	8.1
93.35044	0.7
95.01377	1.1
101.02437	12.9
113.02434	6.0
115.34415	0.6
119.03481	1.7
159.02971	1.1
161.04558	5.3
179.05603	1.1
181.08730	1.1
195.35936	0.7
301.20438	1.0
315.15939	2.6
315.19400	0.9
315.25381	1.2
417.24976	22.8
433.22363	0.9
477.24268	5.9
477.30344	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	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35159	0.8
57.65499	0.8
58.32397	0.8
59.79578	0.8
69.91628	1.1
75.00880	0.9
78.34885	0.9
83.01381	1.7
99.00838	0.9
109.02955	1.6
125.01550	1.4
125.02444	40.4
131.99925	1.0
139.03966	1.2
151.00374	38.2
152.01115	4.3
153.01950	5.0
167.03487	4.2
168.00630	5.4
169.01442	5.8
179.03433	1.1
181.05048	1.2
193.01408	1.3
193.05096	3.7
199.92203	1.0
206.02261	1.1
207.03000	4.4
209.04581	6.2
221.04628	10.5
235.02477	1.9
237.03960	4.8
239.05669	1.5
249.04057	31.0
251.05527	3.7
261.03967	1.6
267.05136	15.0
279.05084	12.8
291.04758	1.0
297.06070	6.3
309.06183	1.7
315.07275	2.1
326.05695	0.9
357.08148	5.0
369.08298	1.4
387.09335	7.2
459.11554	3.8
477.12494	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	477.1418
Annotation	Belalloside A
Peak:m/z	Relative Intensity
56.95239	0.7
59.01391	10.3
60.28421	0.8
67.09419	0.8
71.01395	1.1
79.29787	0.8
80.47256	0.8
81.03452	4.3
85.02947	1.0
93.03448	17.9
101.02437	0.9
114.48195	1.0
123.04518	100.0
133.06548	1.2
135.04488	1.6
147.04474	4.0
165.05573	44.4
177.05554	12.7
191.03577	7.0
191.05136	1.1
240.40880	0.9
271.09796	21.9
315.08762	5.9
417.09653	1.1
477.14038	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Belalloside A
Peak:m/z	Relative Intensity
52.62893	0.7
53.96405	0.7
59.01382	2.0
66.43049	0.9
71.01373	2.1
81.03445	8.9
86.96829	0.9
89.02473	1.7
95.05001	3.7
95.22160	1.0
97.02924	0.9
99.04505	4.6
110.80272	0.8
123.04538	8.2
125.02438	28.6
137.02437	2.1
139.04041	1.6
142.06506	0.9
167.03496	100.0
167.07173	1.7
179.03487	1.7
197.04588	17.8
198.01691	0.9
207.40396	0.9
284.10425	1.6
287.07669	4.5
296.10458	1.8
311.09259	2.1
312.10028	15.8
327.12299	16.6
357.09860	26.7
387.10739	6.1
395.29953	1.0
477.13965	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	477.1405
Annotation	Aquaticoside C
Peak:m/z	Relative Intensity
51.25333	0.8
53.76711	0.8
54.48056	0.9
58.97784	0.8
59.01396	5.4
71.01388	4.0
77.66813	0.8
89.02469	3.6
92.20154	2.2
98.61074	0.9
101.02477	2.3
121.02949	13.4
122.03780	4.7
134.03738	1.8
135.04605	1.4
149.06113	1.7
166.06363	12.8
167.07135	100.0
176.67659	0.9
205.65314	1.0
210.05338	18.0
210.21538	1.1
211.06125	67.0
271.02588	1.9
273.15207	1.1
299.02020	14.9
303.07721	1.0
314.04495	6.1
328.64532	1.1
477.14417	85.0
477.24121	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	477.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01384	19.0
71.01379	8.2
73.02956	1.9
82.16972	1.6
83.50452	1.5
87.00822	3.1
89.02430	8.5
90.66212	1.5
93.03454	6.4
98.38904	1.6
101.02447	7.5
106.02707	1.6
113.02436	3.1
120.87184	1.9
121.06578	2.1
123.04530	31.3
125.06037	1.6
136.05283	3.6
139.07648	2.0
151.04024	4.2
151.07657	52.6
151.11273	8.5
165.05579	14.6
167.07097	2.2
168.07936	13.4
169.08693	3.3
177.05557	2.4
179.07074	3.0
184.08957	7.9
189.12839	2.7
191.03464	2.7
199.11316	8.4
202.10138	2.0
205.12352	16.9
215.10806	3.0
217.12337	33.7
235.13531	2.1
243.69443	1.8
261.11310	2.1
271.09763	9.0
279.12390	100.0
301.11050	2.1
411.31134	1.9
441.17636	3.5
477.14230	40.7
477.24310	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	477.1618
Annotation	Scroside D
Peak:m/z	Relative Intensity
50.09536	0.6
59.01385	33.4
59.37371	0.7
64.57491	0.6
71.01378	21.5
85.02962	1.3
89.02442	37.0
101.02439	22.1
105.91730	0.7
108.78155	0.6
109.02947	0.8
113.02435	14.6
119.03474	14.5
123.04515	16.3
125.02470	1.0
135.04527	40.6
135.27454	0.8
153.05576	28.9
156.80072	0.8
158.76428	0.7
173.58037	0.7
179.05614	1.1
315.10883	100.0
323.09705	1.2
477.16348	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	477.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40854	1.5
59.01385	14.4
61.65462	1.6
71.01376	8.0
79.64199	1.6
81.03474	6.8
87.00871	2.3
89.02428	12.7
92.20103	3.5
95.05043	2.2
100.24609	1.9
101.02464	2.1
123.04517	4.0
125.02419	25.0
126.04404	2.3
128.33789	1.6
137.02356	1.9
144.14740	1.8
145.02939	8.8
156.47731	1.8
167.03494	69.6
167.07132	4.6
197.04510	12.3
211.13254	3.2
256.11020	7.9
267.06616	3.2
284.10580	15.0
287.07880	2.6
295.09650	8.2
296.10522	14.6
297.11310	7.6
311.09201	19.4
312.10049	100.0
327.12384	98.6
357.09882	22.5
469.79337	1.9
477.13806	4.6
477.19656	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	477.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87964	2.9
53.45042	2.9
54.19250	3.0
56.04284	3.2
57.03450	6.0
59.01386	92.3
61.98836	5.1
62.69131	3.3
63.73921	3.1
65.20947	3.6
71.01390	44.8
73.02947	4.3
75.90660	3.9
79.40327	3.6
80.23966	3.9
82.53487	3.7
82.79078	3.2
85.02946	16.9
88.98809	6.8
89.02444	56.4
101.02421	27.6
113.02424	8.5
121.02973	8.4
123.04487	6.5
125.02470	4.4
132.00763	3.9
135.04510	19.7
146.03752	45.1
153.05554	7.9
155.10799	5.6
161.04681	9.2
161.06065	100.0
163.07706	4.1
165.05521	6.7
166.06357	32.1
167.07188	49.7
177.05530	6.4
181.08752	7.4
191.03519	7.5
255.12354	9.0
281.11945	4.3
300.02798	4.6
315.05145	6.2
327.12408	71.3
328.52573	4.2
389.25336	6.5
391.21191	3.8
406.45120	4.0
417.25055	14.7
477.18192	22.5
477.24557	16.8
477.30743	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32042	0.2
59.01370	0.5
71.01374	0.5
71.05027	3.2
87.04513	2.0
99.04517	13.6
102.44243	0.3
115.04002	9.1
115.07642	0.7
117.05569	13.3
123.04514	1.7
137.02457	0.3
139.04234	0.3
153.05571	5.2
161.08194	100.0
219.66844	0.3
229.34966	0.3
315.10913	1.5
406.58029	0.3
477.15897	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
58.37513	1.7
59.01385	81.5
64.08990	1.8
67.64065	1.8
71.01388	18.0
73.02940	11.4
83.01407	2.2
85.02951	10.5
87.89544	2.0
89.02452	10.4
89.73260	1.7
92.20177	3.9
100.30836	1.7
101.02432	16.9
113.02454	12.6
119.03461	2.3
119.90459	1.9
121.02907	2.3
121.34577	1.8
143.03529	2.9
161.04512	19.1
166.06337	70.7
181.08714	100.0
219.13832	4.1
235.08214	12.8
290.87604	1.9
326.46542	1.8
334.99731	1.8
417.17526	34.7
417.21487	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37308	1.1
53.55577	0.9
53.83469	1.0
55.65638	0.9
57.24774	0.9
58.22659	1.0
59.01383	18.0
61.98849	1.2
71.01379	14.4
73.02950	8.3
75.00881	1.9
85.02974	7.9
87.00847	4.2
87.04502	1.8
89.02439	6.8
91.53820	1.5
97.02893	1.8
99.00894	2.6
101.02443	13.6
111.44944	1.1
113.02431	7.6
119.03493	1.5
131.03488	5.9
135.08226	1.5
137.09727	61.9
149.04823	2.0
150.05630	19.5
151.00378	5.8
151.03970	1.3
152.04785	7.2
153.05060	2.4
155.10783	100.0
161.04524	9.3
167.03493	1.8
167.07108	1.2
171.10304	1.2
178.28857	1.5
181.08702	21.4
182.04576	11.3
183.04910	10.2
191.05684	1.6
197.11845	6.3
199.09750	35.2
211.13377	5.9
221.06650	4.2
223.09587	1.4
235.13620	1.3
239.13025	1.2
241.10791	6.8
253.13962	1.4
255.15948	1.8
283.02542	1.2
283.41617	1.1
287.05609	2.0
299.01950	7.1
300.02631	4.5
301.12979	6.1
303.21957	1.6
304.54007	1.1
313.03250	1.3
314.04437	4.8
315.05359	8.1
315.13568	6.2
343.14020	1.8
343.21393	1.4
357.09763	1.4
359.17209	5.5
361.15088	6.9
381.15973	1.3
399.16641	1.7
403.16144	63.2
417.25140	1.2
439.19992	1.2
477.10187	10.0
477.19681	62.0
477.28812	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	477.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.79320	1.1
60.30246	1.2
71.01388	4.8
73.02959	1.3
89.02451	4.1
92.19332	1.4
101.02449	5.6
110.39455	1.3
130.19026	1.3
139.42973	1.3
158.83070	1.1
194.08945	1.4
266.32721	1.1
315.19620	2.2
417.24835	10.7
477.30096	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
57.03456	1.6
59.01105	3.2
59.01385	63.3
63.67990	1.4
71.01380	36.9
73.02933	8.8
79.11010	1.5
83.01390	1.7
85.02956	10.8
89.02438	14.5
95.01385	2.2
99.00888	2.0
101.02432	28.8
113.02457	15.4
114.46943	1.5
119.03517	2.0
120.19696	1.7
159.03024	2.2
161.04535	16.4
166.06328	28.9
181.08742	36.6
181.12364	2.3
189.12823	3.5
219.13951	13.8
228.90549	1.5
235.08296	12.5
237.14963	2.5
247.15018	1.6
332.94360	1.6
368.42578	1.7
417.21591	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	477.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.3
59.01104	3.2
59.01387	80.2
59.01683	2.8
60.86036	1.9
61.41076	2.1
71.01381	54.0
71.05590	2.2
73.02951	21.6
75.00865	2.9
75.16843	2.1
83.01394	4.3
85.02942	24.9
88.09034	2.3
89.02462	36.2
95.01377	3.0
99.00893	4.4
101.02451	29.3
113.02431	27.5
119.03469	3.2
143.03482	2.4
148.41643	2.6
161.04562	20.1
179.05626	5.8
181.08720	66.8
181.12395	10.2
182.09032	32.1
183.09250	19.4
189.12727	3.2
203.06915	2.3
207.13809	8.9
219.13896	18.5
237.15004	10.7
253.08771	3.3
255.16087	24.2
295.09277	2.7
373.90884	2.4
417.21301	100.0
477.18506	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40464	1.3
55.60639	1.2
56.84642	1.2
59.01105	1.8
59.01383	35.7
61.98843	2.2
63.79676	1.3
71.01383	14.6
85.02952	6.0
85.55392	1.2
89.02438	8.5
92.20039	1.9
95.05025	2.4
101.02417	11.9
113.02423	6.2
115.03994	3.4
144.04279	7.4
161.04541	3.0
181.08643	1.6
183.13849	7.3
183.17490	2.1
191.14627	1.6
193.15982	100.0
211.17105	13.7
255.16042	28.7
285.20615	3.2
297.18536	5.7
315.19562	17.2
359.28290	1.9
376.11481	1.5
417.21274	67.1
477.24930	35.6
477.31052	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01384	100.0
61.98820	4.5
71.01378	50.0
73.02930	10.4
83.01376	9.6
85.02933	16.2
89.02438	40.0
91.89764	2.0
97.02948	2.5
99.00890	3.3
101.02436	43.0
110.33897	2.6
113.02440	33.5
115.04009	36.6
116.94875	2.0
119.03483	12.0
121.53992	1.9
131.03523	3.7
131.64323	2.2
132.48106	2.2
132.66650	2.5
136.06221	2.1
161.04530	18.7
175.22032	2.3
179.05580	9.7
181.08815	5.5
193.16022	16.2
221.06644	3.3
227.84300	2.2
237.14880	5.3
242.03632	2.3
246.32396	2.4
255.16032	3.3
275.11160	2.4
315.16089	2.3
315.75146	2.5
322.69434	2.1
327.12952	4.2
417.21100	46.8
417.25037	57.3
477.24405	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03433	1.7
59.01151	1.1
59.01387	27.4
71.01382	35.9
73.02959	14.7
83.01390	8.3
85.02948	21.8
87.00881	1.8
88.99348	1.4
89.02442	8.2
95.01385	6.6
99.00872	6.0
101.02451	44.4
107.79955	1.2
112.09435	1.5
113.02448	22.3
119.03442	2.0
139.11417	1.3
159.03030	2.8
161.04593	15.0
263.31042	1.5
296.82455	1.5
315.18210	15.6
413.70224	1.4
437.09296	1.5
477.23459	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	477.2347
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
54.57170	0.5
55.01873	2.5
57.03448	1.4
59.01101	1.0
59.01386	23.7
60.60847	0.6
71.01385	32.0
73.02950	17.7
78.55334	0.6
80.79864	0.6
81.03446	0.7
83.01384	5.6
85.02957	18.9
86.09541	0.8
87.00860	0.9
89.02447	7.8
92.20124	0.9
95.01376	3.3
99.00883	4.3
101.02444	41.3
111.00896	0.7
113.02452	19.6
119.03466	1.5
120.27913	0.7
125.02492	1.3
129.01920	1.0
136.97490	0.7
143.03523	1.5
159.02977	2.9
161.04555	12.7
190.68892	0.6
219.52884	0.6
245.58932	0.7
284.04062	0.6
315.18173	14.2
318.66562	0.8
477.23434	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03433	1.7
59.01151	1.1
59.01387	27.4
71.01382	35.9
73.02959	14.7
83.01390	8.3
85.02948	21.8
87.00881	1.8
88.99348	1.4
89.02442	8.2
95.01385	6.6
99.00872	6.0
101.02451	44.4
107.79955	1.2
112.09435	1.5
113.02448	22.3
119.03442	2.0
139.11417	1.3
159.03030	2.8
161.04593	15.0
263.31042	1.5
296.82455	1.5
315.18210	15.6
413.70224	1.4
437.09296	1.5
477.23459	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	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
59.01099	4.2
59.01386	100.0
62.78313	2.1
62.78631	2.0
67.37638	2.5
71.01382	90.1
73.02937	21.6
75.00385	2.1
82.61466	2.1
83.01366	2.8
85.02956	25.4
87.00882	3.9
89.02447	81.9
95.01415	4.8
101.02446	74.8
113.02461	38.5
119.03484	28.9
121.02956	26.5
122.57417	2.1
125.02404	2.9
131.03491	10.1
134.03773	2.6
135.04523	22.4
140.39748	2.5
143.03494	4.7
146.03711	26.6
149.04625	4.1
159.02954	2.8
161.04562	32.6
161.06084	47.6
166.06367	15.4
167.07159	22.6
178.02711	27.2
179.05655	39.3
186.10129	2.1
193.05083	38.1
221.06618	5.5
242.32278	2.1
300.02621	2.6
315.18491	2.8
324.80997	2.3
327.12433	41.1
477.23480	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73684	0.5
59.01385	1.0
60.47248	0.4
70.73371	0.5
76.31738	0.4
77.35081	0.5
77.77331	0.5
79.57245	0.5
80.91671	2.3
81.03455	3.3
83.01376	0.5
83.05016	0.7
87.90341	0.4
101.49996	0.4
114.02005	0.5
114.81488	0.5
123.04469	1.0
125.02434	13.4
129.09236	0.7
167.03502	2.4
193.01442	2.5
269.21216	0.7
309.24142	0.9
315.19669	1.0
333.24219	1.7
349.22641	0.5
351.25406	9.7
363.30252	0.6
394.42252	0.5
395.24393	100.0
417.21298	2.3
477.24896	2.5
481.16235	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	477.2495
Annotation	Pharboside G
Peak:m/z	Relative Intensity
51.90050	0.4
59.01368	0.8
86.72671	0.4
132.30626	0.5
313.18094	0.8
315.19681	100.0
373.00925	0.5
395.24451	0.9
477.25027	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2498
Annotation	Virescenoside T
Peak:m/z	Relative Intensity
53.43944	0.6
55.13008	0.7
57.62759	0.8
59.01104	1.1
59.01384	28.8
65.51588	0.7
71.01379	13.9
80.49369	0.7
80.76503	0.6
82.32918	0.8
83.01385	0.8
85.02953	4.2
87.00840	0.7
89.02438	17.0
90.39157	0.6
90.87167	0.7
93.08174	0.7
95.01363	0.7
101.02446	13.2
108.51535	0.7
113.02442	7.3
119.03477	4.9
159.62694	0.7
163.79663	0.8
173.00479	0.7
174.19699	0.8
200.70256	0.6
206.04152	0.8
247.35513	0.9
268.08185	0.6
286.97870	0.7
297.18604	44.9
315.19644	13.3
335.77148	0.8
341.61111	0.7
436.02750	0.8
476.89795	1.0
477.24973	100.0
477.30457	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	477.2494
Annotation	Pharboside G
Peak:m/z	Relative Intensity
55.53463	0.4
63.58882	0.4
68.16600	0.6
77.19768	0.5
175.46255	0.4
210.03430	0.4
227.21063	0.5
242.42183	0.5
315.19672	100.0
373.11755	0.6
408.77655	0.6
411.00815	0.5
477.24933	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2627
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
51.30553	9.5
51.61973	10.6
61.24849	10.3
64.12276	13.3
77.24495	10.9
80.65681	11.9
162.50929	11.4
165.66515	13.0
170.74071	12.7
248.25630	12.1
279.23361	100.0
281.05606	12.0
321.24399	13.3
348.59073	14.6
441.20197	13.8
475.36557	12.9
477.26038	51.7
477.32288	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93489	1.5
54.53389	1.9
59.01381	98.6
61.98837	34.0
71.01383	48.5
73.02946	10.8
73.63253	1.7
79.69714	1.9
83.01404	3.5
85.02950	19.5
87.00927	1.9
89.02444	30.4
92.19436	3.3
95.01402	3.4
96.33951	1.7
97.93550	1.8
101.02439	41.2
113.02439	23.3
115.03996	4.4
119.03484	10.5
147.04510	3.9
161.04526	14.8
179.05621	3.5
181.08679	9.1
191.10844	2.1
201.45682	1.9
221.06590	4.0
311.13019	1.9
314.11670	2.1
329.13751	2.4
417.25171	100.0
469.28784	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	477.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24091	0.4
57.03398	0.4
59.01384	6.7
61.98822	0.7
64.67538	0.4
65.17144	0.4
71.01377	4.4
73.02916	1.9
75.00848	0.5
85.02917	1.1
89.02407	2.0
101.02442	3.6
113.02421	1.1
127.83377	0.5
213.22255	0.5
220.57591	0.5
220.94576	0.5
234.82182	0.5
269.84274	0.4
297.24124	0.8
313.23868	5.2
315.16025	0.6
315.19791	0.9
315.25381	11.2
341.26907	1.0
357.26563	0.6
359.28049	100.0
459.29623	1.1
477.25168	3.1
477.30759	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3224
Annotation	Dolicholide
Peak:m/z	Relative Intensity
57.49043	1.4
60.25114	1.5
66.11948	1.5
69.82053	1.6
92.68449	1.4
93.49829	1.5
100.07903	1.4
100.97054	1.6
121.02982	2.0
128.75673	1.9
149.02423	17.4
150.03264	2.6
193.01494	6.3
194.02243	5.9
277.11041	1.9
320.92819	1.9
333.17035	3.1
462.29959	76.2
477.32242	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	478.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36176	0.6
59.01384	0.9
59.44358	0.5
61.98836	100.0
69.20969	0.6
108.79859	0.6
224.12767	0.7
244.04095	10.2
316.06323	4.4
376.59122	0.6
427.35751	0.7
478.11743	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	478.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49321	0.6
59.01382	2.9
61.69876	0.6
61.98834	100.0
68.08880	0.7
71.01391	1.2
82.18661	0.7
86.97674	0.7
92.20078	1.0
107.04361	0.6
125.83984	0.6
199.16765	0.8
204.73599	0.8
418.25137	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	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55703	0.7
61.83907	0.8
61.98836	100.0
68.94556	1.0
74.61108	0.8
85.28371	0.8
89.58276	0.9
93.49491	0.9
137.02415	1.3
173.01195	1.0
272.83267	1.1
289.07095	1.4
357.13440	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	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62261	0.3
78.95877	2.3
91.73482	0.3
117.66208	0.3
127.72747	0.4
140.01161	1.6
152.99538	0.5
186.73654	0.4
196.03735	0.4
214.04831	2.1
281.24878	100.0
340.77829	0.4
478.29575	26.0
478.36298	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60392	1.0
61.98838	1.1
65.77384	1.1
71.84950	1.4
78.95906	96.9
96.96930	5.6
140.01106	2.0
152.99590	27.4
160.74838	1.4
163.75694	1.4
170.99255	2.4
171.00641	38.8
196.03773	2.1
270.53458	1.2
281.24860	27.2
301.51279	1.4
362.71356	1.5
387.46570	1.5
404.26160	1.5
478.29385	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41818	2.1
55.53890	2.4
69.94720	2.2
76.52325	2.3
78.95902	71.9
93.42586	2.3
95.68301	2.5
96.96926	10.1
109.98651	2.5
117.97599	2.3
119.13786	2.8
152.99631	21.0
156.74928	2.7
171.00670	31.1
175.22868	2.5
281.24844	42.0
478.29453	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46066	0.5
51.82331	0.5
58.67116	0.4
77.57558	0.5
78.06898	0.4
89.68211	0.5
137.02441	0.7
144.73915	0.6
147.24654	0.5
151.00406	4.4
178.99847	5.8
214.02760	0.8
242.02190	2.2
259.02438	0.7
270.01654	6.1
271.02515	20.9
287.01962	11.9
288.02670	1.1
298.02728	0.6
316.02255	100.0
317.03073	7.0
479.08340	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22804	1.6
58.83543	1.6
76.64084	1.7
107.01398	2.7
109.02941	2.7
137.02440	18.6
145.51288	1.7
151.00348	42.0
164.01151	3.4
165.01944	2.0
170.44258	1.8
172.07242	1.7
175.00337	9.6
178.99872	3.3
187.78033	1.7
193.01474	2.8
245.04747	2.2
315.98605	2.7
316.02283	79.5
316.99475	3.1
317.03067	67.4
356.93225	1.9
360.26718	1.7
389.56616	2.1
479.08337	100.0
479.24838	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	479.1197
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
51.55052	1.0
55.17805	1.1
57.03463	1.5
59.01382	16.2
71.01379	10.2
73.02956	2.7
83.05027	9.3
84.39057	1.1
84.98519	1.3
85.02944	5.4
87.70432	1.2
87.88627	1.4
88.98808	1.8
89.02446	15.0
92.20132	1.6
101.02447	13.1
113.02427	5.0
118.10379	1.2
119.03501	4.7
123.04517	5.9
123.82043	1.2
125.02460	29.3
129.08841	1.1
135.06638	5.2
137.02477	5.5
137.09744	18.4
149.02472	2.0
150.03229	10.0
151.00374	13.3
153.05583	13.3
155.10783	67.8
159.10233	9.1
164.01144	17.9
165.05548	5.3
167.03453	2.0
169.12338	2.4
176.01160	5.7
181.08757	2.9
189.05537	1.8
190.02692	5.1
194.53152	1.3
199.09764	12.2
201.01938	1.8
213.05589	1.8
214.02815	1.3
214.06395	1.4
215.03525	16.4
216.04239	1.7
217.01465	5.4
239.32130	1.4
240.04150	1.7
241.04961	1.8
256.03839	4.1
257.04385	1.4
258.05347	10.1
273.07660	2.4
273.14905	1.2
284.03281	11.7
299.05597	11.6
301.03644	1.7
302.04349	43.1
315.10770	1.3
316.02292	1.6
317.06683	100.0
317.10400	3.2
319.19003	1.8
346.14957	1.5
347.14914	4.6
372.88348	1.3
479.11963	58.1
479.21179	79.9
479.30048	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	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81364	4.4
59.01381	22.6
71.01380	21.4
72.99308	36.9
77.13925	4.1
87.00856	7.1
89.02448	4.4
111.04516	58.4
115.00343	46.0
124.76746	4.1
125.02456	98.0
125.23584	4.3
129.01967	6.8
129.05576	10.1
135.02969	18.0
135.73846	4.6
137.02429	19.2
142.99831	7.0
152.43835	4.3
155.03508	93.2
161.02472	5.2
165.01898	32.5
167.03477	21.9
173.04530	100.0
175.02498	97.2
177.01955	58.1
179.03505	16.7
191.03499	6.5
203.66219	4.2
212.42366	4.9
216.93430	4.3
219.06593	6.6
234.76295	4.2
245.31496	3.9
303.05106	9.3
305.06610	57.4
323.03943	8.3
343.04489	24.6
361.05795	6.2
479.08463	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	479.12
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
53.85397	1.2
57.16148	1.5
59.01385	8.1
64.38148	1.4
71.01393	9.5
73.02926	1.6
75.66579	1.2
82.39628	1.4
83.01385	2.2
85.02956	2.3
89.02455	3.0
92.19410	2.1
95.01392	1.6
101.02478	5.8
101.26360	1.6
107.01410	1.9
108.02188	7.0
109.02953	2.8
121.03017	1.9
123.04507	14.6
125.02440	30.6
132.13873	1.5
150.38725	1.5
150.39879	1.6
151.00357	32.3
151.01442	1.5
152.01149	38.5
153.01926	12.9
155.10780	2.6
165.01984	8.9
165.05606	9.6
166.02724	3.4
167.03505	48.9
178.99890	16.9
180.00664	2.6
216.04349	2.1
228.43040	1.5
230.06029	1.9
258.05511	7.7
271.06152	2.3
274.04898	5.9
284.03333	3.6
289.07202	13.8
297.06329	8.7
299.05655	13.0
311.07852	11.3
316.02243	3.0
317.03021	7.9
317.06628	63.4
317.10352	2.2
329.14117	2.3
334.00348	1.6
479.12173	100.0
479.19781	7.3
479.26807	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	479.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66764	1.3
59.01377	6.6
66.93886	1.4
71.01382	3.7
89.02440	1.8
91.01840	1.6
101.02425	2.6
121.02957	6.0
122.03736	6.7
123.04509	6.7
125.02459	1.7
135.04498	1.9
137.02428	20.4
137.09758	5.6
138.03214	6.8
139.04012	3.5
150.03233	16.0
151.04063	10.5
152.04784	9.7
153.05605	6.3
155.10791	13.4
164.01147	9.0
165.01962	22.6
165.05586	62.1
167.03502	8.4
167.07104	9.9
168.04266	7.9
178.02754	3.1
179.03522	29.0
180.04259	2.5
181.05133	2.8
183.06660	20.4
192.43816	1.4
193.05092	3.0
198.05318	14.9
207.03096	1.7
213.07684	69.8
302.07974	5.5
311.07880	1.8
317.10312	100.0
341.06870	2.1
479.15781	31.7
479.21399	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	479.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34346	2.5
55.82380	2.4
59.01372	22.0
59.21945	2.6
65.19680	2.5
69.04406	3.1
71.01377	16.8
73.02945	4.2
89.02441	24.4
99.00889	3.7
101.02435	12.3
103.41039	2.7
107.54707	3.0
113.02467	5.3
121.02956	80.1
122.03748	21.7
135.04526	25.4
136.01619	3.5
137.02464	3.5
139.04016	21.2
140.86371	3.5
145.02979	4.3
150.03206	16.7
151.04013	43.0
155.10751	6.7
161.02460	3.8
162.03239	19.9
164.01070	3.0
165.01968	13.2
165.05600	28.5
167.07159	5.8
168.07446	11.9
169.07712	4.1
177.05626	14.4
179.03436	24.7
185.11671	4.0
211.06100	10.8
212.06319	5.4
213.06802	3.2
232.38365	3.3
241.05038	14.2
241.97209	2.8
284.06815	3.5
288.38385	2.9
299.12830	12.0
304.14923	4.1
317.10327	100.0
479.14514	17.2
479.20129	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	479.1559
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
55.00967	0.7
59.01380	10.2
59.82647	0.7
62.59913	0.7
63.72028	0.8
68.21384	0.9
71.01385	6.0
85.02941	1.4
87.00894	0.9
89.02435	5.1
93.02900	1.2
93.03461	24.0
101.02438	5.5
113.02449	5.0
119.03502	1.1
129.05556	1.3
135.04544	1.3
136.01653	5.2
137.02454	95.5
150.03297	1.6
151.03999	13.3
155.10753	4.6
164.04807	1.7
165.05594	9.7
167.03455	1.2
179.03505	43.4
179.07138	3.4
209.04547	4.4
239.05614	16.8
479.15659	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	479.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92857	1.1
59.01385	7.3
60.38401	1.4
71.01372	5.4
75.42363	1.3
87.00838	1.4
89.02474	2.2
91.13865	1.2
92.19518	2.0
101.02411	5.2
113.02467	2.8
117.03425	3.2
119.05032	1.2
121.02952	100.0
122.03749	3.1
135.04532	53.5
139.03999	2.6
145.02953	21.4
146.03720	5.6
147.04515	8.3
150.03218	2.1
151.04022	8.0
161.02420	12.7
162.03226	38.2
163.04012	10.3
165.05560	6.6
177.05513	13.9
179.03543	6.4
185.11815	9.5
195.06662	1.7
223.06046	3.0
271.02518	1.6
273.03247	1.8
277.27734	1.3
287.04794	1.9
300.02213	1.5
316.05081	2.8
317.10294	12.2
339.10782	2.7
416.62973	1.6
461.14426	1.6
479.10864	13.2
479.21423	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	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20418	0.4
52.95073	0.4
58.00593	2.9
59.01383	15.4
66.76919	0.4
71.01378	11.2
72.07758	0.4
73.02938	2.1
87.00865	5.6
89.02448	20.6
95.01388	0.6
99.00868	4.0
101.02435	5.8
105.79650	0.4
108.19654	0.5
113.02452	1.1
117.03410	0.4
119.03477	0.7
120.52708	0.4
121.00627	0.5
121.02950	19.9
122.03728	4.6
125.02441	0.8
131.03474	2.4
135.04501	2.2
141.01933	0.8
145.02977	2.8
146.03688	0.7
146.87140	0.5
148.05267	0.6
149.01451	0.5
149.02444	18.2
149.04500	7.8
150.03221	60.1
151.00352	7.8
161.02399	1.9
162.03252	5.3
163.03973	0.8
163.07777	0.7
164.04808	12.3
165.05569	100.0
166.06326	0.8
167.07132	92.0
177.05554	2.3
180.04309	3.2
191.05545	1.0
195.06624	21.6
207.06662	0.6
251.07645	0.5
314.11740	3.7
317.06641	5.3
321.90381	0.5
329.14056	3.5
419.19244	14.7
431.13602	8.6
479.12000	4.6
479.19385	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	479.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24968	2.0
56.87174	1.7
59.01099	4.1
59.01382	65.2
62.75043	1.7
66.02325	1.6
68.41962	2.0
68.94012	1.9
69.48695	1.7
71.01383	39.9
71.27602	1.6
83.37660	1.9
84.50184	1.7
85.02933	1.9
89.02438	47.9
101.02428	3.6
119.03517	2.1
121.02959	23.6
123.04560	3.4
125.02448	8.0
131.03540	2.5
134.03763	3.6
135.04474	2.0
136.05360	2.7
147.04546	4.4
149.04549	10.0
149.06049	2.0
162.03189	2.7
164.01144	2.6
167.03519	14.8
167.07126	2.3
168.03854	10.5
177.05594	2.0
192.07936	26.4
193.08662	18.3
219.82899	1.9
283.09756	4.5
284.03152	2.5
314.11597	34.4
316.02289	3.7
317.06711	23.9
317.13934	3.6
329.13950	79.1
347.15045	16.4
359.10199	3.5
360.78052	2.1
440.64529	2.2
479.19312	100.0
479.25742	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	479.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06543	0.7
53.45971	0.6
57.03449	1.1
57.85019	1.0
59.01385	36.6
60.34005	0.9
61.98833	1.0
63.30960	0.8
63.44571	0.9
69.79368	0.9
71.01386	18.6
72.99275	0.9
73.02956	1.1
83.05022	8.8
85.02943	5.5
85.75354	0.9
89.02451	20.1
97.02950	3.9
101.02439	8.6
107.01331	1.1
109.02956	1.7
113.00330	1.1
113.02431	6.1
117.71144	1.0
119.03515	2.1
124.00781	1.0
125.02406	1.0
134.06198	1.0
151.00381	14.3
152.01088	1.3
153.01901	2.0
159.10237	6.5
165.01926	23.4
165.05574	8.4
181.08664	1.6
239.10736	1.0
240.11551	1.3
241.05083	100.0
271.13397	1.1
273.82486	1.1
284.10577	4.1
299.12918	79.2
301.17932	1.3
317.06851	6.6
317.10040	1.6
445.18918	1.1
451.10468	4.9
479.11987	7.1
479.19305	14.5
479.30081	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	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45805	0.5
55.69672	0.5
59.01386	31.5
61.98819	1.3
65.00310	0.6
71.01382	17.0
83.05028	2.9
85.02963	3.0
89.02444	16.2
101.02448	9.4
109.02918	1.3
113.02443	6.3
119.03478	4.0
121.02944	3.0
122.03738	11.7
123.04507	1.2
124.01657	0.9
132.18335	0.6
136.01654	2.4
137.02467	4.9
137.06088	0.7
138.03241	1.3
139.04016	9.8
145.06541	1.0
149.04567	0.7
150.03238	6.9
150.21626	0.7
151.04007	28.0
152.04840	0.6
153.01909	0.8
153.05547	2.5
154.02776	0.7
155.10854	1.0
159.08182	0.6
159.10265	2.4
164.01198	4.0
165.01907	10.2
165.04178	1.1
165.05562	17.3
167.07126	3.3
179.03505	14.4
180.04240	0.9
181.05113	1.1
181.08739	2.8
236.90884	0.6
239.10811	2.4
240.11476	0.9
241.05069	100.0
256.07458	0.8
256.10950	1.2
269.04538	2.1
271.13455	1.4
283.06204	0.6
284.07187	1.3
284.10550	6.0
299.09579	2.8
299.12888	82.0
302.07944	1.1
317.10318	61.7
329.61456	0.6
361.18652	1.0
451.10251	1.4
479.09393	0.7
479.20081	14.6
479.29776	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	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14208	1.4
55.17365	1.4
55.34754	1.3
59.01389	12.3
59.37139	1.9
71.01385	8.5
72.99284	1.7
73.02957	3.3
83.01394	1.8
85.02940	7.0
87.00893	2.0
89.02406	2.3
101.02441	16.1
107.05034	14.4
113.02464	3.6
121.02959	100.0
123.04518	1.8
125.02420	16.9
130.99405	1.8
132.81555	1.6
134.03738	6.9
135.04530	76.3
146.95667	1.6
149.02480	2.6
151.00369	4.0
151.07683	2.2
155.10742	2.0
165.02031	2.9
165.05566	10.6
178.99846	3.2
269.11801	34.0
284.03229	6.8
289.07211	14.8
299.05588	11.4
317.06598	4.1
431.17099	64.6
432.66367	2.0
469.45959	2.0
479.12003	22.5
479.19193	42.1
479.25211	7.4
504.50156	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	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.6
63.02719	0.5
63.70437	0.4
64.66534	0.4
69.72214	0.4
71.01376	4.6
73.02943	0.4
73.76413	0.4
81.28511	0.4
85.02937	0.7
89.02435	7.7
101.02422	2.4
111.04555	0.5
113.02444	0.8
121.02948	0.4
122.03735	4.4
123.04558	0.6
148.05254	0.5
149.04555	1.1
150.03265	0.8
150.05577	0.5
163.07613	0.5
165.05579	2.1
166.06386	1.0
167.07132	100.0
314.11569	2.4
329.13983	3.3
419.19119	0.7
455.98758	0.5
479.19440	7.4
479.25174	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53606	2.7
53.30767	2.4
59.01385	100.0
59.26330	2.8
61.98842	3.1
65.00329	4.1
71.01378	55.3
83.06927	2.8
83.43230	2.5
85.02955	6.6
87.00882	5.2
89.02442	90.9
97.02956	4.0
99.76588	3.5
101.02462	38.4
104.23912	2.7
106.40372	2.7
108.54842	2.6
109.02931	15.2
113.02452	15.5
117.05511	3.7
119.03493	7.0
121.02958	11.1
123.04508	4.5
125.02415	3.0
131.03503	35.6
146.29784	2.8
147.52040	3.4
149.02437	3.3
149.04538	48.1
150.03241	24.0
153.01913	10.4
154.37869	3.2
155.10823	4.2
164.04718	4.0
165.01933	59.7
165.05542	42.6
167.07182	20.5
179.21530	2.9
181.08649	24.5
187.91199	3.3
191.05603	22.6
241.05101	22.3
266.48795	3.1
299.12875	19.3
317.10364	6.5
356.52820	2.8
419.19199	61.3
421.18942	3.3
431.13937	4.1
443.19397	5.6
451.10400	14.5
451.16104	3.3
459.81088	3.4
479.10318	3.6
479.22656	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81762	0.6
53.05070	0.6
59.01387	16.0
61.98830	7.7
71.01386	9.7
73.02935	4.1
73.19890	0.9
73.20676	0.9
83.05005	1.3
85.02930	4.4
87.00866	1.0
87.04510	3.5
89.02441	10.1
92.20044	1.1
101.02432	8.6
113.02430	6.6
118.79372	0.9
119.03440	1.3
123.04525	29.0
131.03384	0.7
135.06641	8.4
137.02396	1.0
137.09714	18.2
139.11354	0.9
151.00343	0.9
153.01953	1.6
153.05576	76.6
155.10782	90.5
159.10239	1.9
169.12343	7.6
181.08762	8.6
199.09753	13.8
213.07660	1.4
213.11345	0.9
241.10820	4.8
275.98413	0.9
315.10876	1.0
316.02032	1.4
317.10327	1.5
333.13538	1.0
400.46378	0.9
420.35278	1.1
443.19220	28.1
479.21341	100.0
479.29608	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	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01134	1.3
59.01384	18.7
63.79470	0.9
71.01391	12.8
73.02940	2.3
80.12336	1.0
83.01382	1.2
83.05054	1.6
85.02942	4.5
88.69928	1.2
89.02438	19.4
91.67211	1.1
99.00866	1.3
101.02452	13.1
107.18559	1.0
113.02487	12.8
118.70949	1.0
119.03511	10.8
121.02929	18.7
122.23138	1.2
135.04530	12.6
135.06639	11.1
137.09723	31.5
155.10789	41.6
161.04550	4.4
162.03165	1.1
165.01935	4.0
165.05473	2.0
169.12260	1.9
180.04321	1.9
199.09781	10.7
222.16577	1.3
223.09785	2.1
297.11899	6.6
311.50171	1.2
332.86496	1.2
357.11826	1.4
424.34680	1.0
479.15811	5.9
479.21375	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	479.2495
Annotation	glas#16
Peak:m/z	Relative Intensity
54.14805	1.4
55.01873	2.7
57.03444	3.5
57.88983	1.3
59.01386	89.4
60.32816	1.4
60.38346	1.5
71.01384	77.7
71.24765	2.0
73.02940	27.6
75.00857	2.3
78.45114	1.4
83.01374	12.5
85.02950	37.8
87.00848	2.7
89.01921	1.9
89.02443	57.7
93.16698	1.6
95.01369	3.9
97.02943	2.1
99.00854	7.9
100.78352	1.6
101.02441	72.9
113.02442	40.1
119.03505	21.3
125.02427	2.8
143.03508	4.0
161.04568	25.9
164.03114	1.6
169.90788	1.6
179.05634	16.6
203.14407	1.9
211.45601	1.7
229.16272	1.7
317.19690	19.0
391.93646	1.7
479.18253	3.8
479.25153	100.0
479.30917	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	479.2651
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
57.96175	0.7
72.49046	0.7
81.60942	1.1
90.99572	0.8
92.20089	0.9
121.02959	0.9
127.45658	1.0
148.11485	0.9
149.02408	4.4
150.03247	6.0
161.02538	1.0
164.04803	4.1
176.01141	28.6
177.05576	1.8
178.02727	3.6
191.03516	94.6
194.02246	1.5
195.02939	1.2
217.24255	0.9
228.00008	0.9
235.51999	0.9
249.07617	1.3
263.09155	0.9
287.22321	18.3
291.12524	2.9
321.13431	6.8
363.18243	1.0
377.19522	6.0
403.24960	2.0
420.25119	1.7
464.24011	3.8
479.26535	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	479.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94017	1.2
52.25795	1.0
54.98074	1.1
56.73051	1.0
59.01384	100.0
61.96854	1.2
66.45676	1.0
74.83449	1.1
80.63280	1.2
108.50999	1.2
114.07185	1.3
119.30820	1.2
122.37644	1.2
152.62936	1.2
234.38860	1.4
252.20085	1.3
315.44769	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	479.2653
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
57.03458	2.4
59.01387	71.7
61.36545	1.3
61.98840	5.0
62.67423	1.3
71.01380	35.4
73.02931	3.2
83.01399	1.4
85.02942	6.8
89.02444	41.5
95.01406	1.4
96.42812	1.2
101.02436	20.9
113.02425	14.6
119.03481	14.1
125.09691	2.8
129.25046	1.2
135.04550	2.1
161.04500	2.3
188.40686	1.4
191.05591	5.6
293.08655	1.9
299.20175	11.7
316.01849	3.3
317.02005	6.5
330.03928	1.8
331.04428	1.7
332.00623	1.5
332.04443	8.1
392.05249	1.8
419.26501	15.1
479.10950	13.0
479.16895	17.4
479.26517	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	479.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43417	1.2
62.54365	1.1
65.36765	1.2
82.49211	1.1
84.71855	1.4
84.95100	1.5
92.19395	1.8
137.02457	1.4
144.78987	1.4
149.02391	4.8
150.03262	2.1
151.04091	1.5
153.01906	2.0
164.04767	1.6
176.01128	31.4
177.05571	1.5
178.02678	2.3
191.03517	100.0
193.01610	1.3
194.02281	2.0
207.45406	1.3
209.04640	1.7
246.25768	1.2
287.22351	20.0
291.12305	4.7
316.02203	1.5
321.13348	2.7
349.16476	1.5
375.21936	1.6
377.19727	2.8
394.23254	2.7
420.25388	1.5
447.23822	1.6
464.24496	2.1
479.26529	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3014
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
50.60145	0.8
54.48612	0.8
59.01386	2.1
62.60334	0.8
63.28050	0.8
91.04006	1.6
97.06544	1.2
97.56066	1.0
107.05056	1.2
135.32373	0.9
137.09776	1.0
203.14418	1.2
211.13438	3.8
213.14986	4.0
221.15401	1.1
231.17508	1.1
239.16534	4.0
241.18118	4.3
267.19833	1.4
287.23727	1.2
295.93130	1.0
315.27048	5.9
317.28751	1.8
325.25412	8.8
333.28061	3.8
341.25003	4.8
343.26361	10.3
351.23563	1.4
359.25705	8.2
361.27493	3.9
369.24319	12.6
377.26971	2.1
387.25427	17.6
405.26508	29.8
479.30264	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	479.3018
Annotation	AC1Q6CTU
Peak:m/z	Relative Intensity
53.79754	0.4
55.32132	0.5
56.94537	0.4
57.03446	2.9
59.01375	1.2
64.04330	0.5
68.67670	0.5
69.65653	0.5
70.01466	0.5
71.05014	2.3
73.02891	0.5
83.05026	40.6
83.17051	0.5
85.02959	11.7
85.91891	0.5
87.08151	0.9
99.04500	0.6
101.06045	0.6
107.05136	0.7
115.07632	7.4
115.18107	0.5
123.08142	2.0
125.06089	2.3
141.09232	2.1
145.76958	0.5
155.10873	0.5
159.10265	43.3
197.85339	0.5
209.46118	0.6
211.14949	0.6
231.13974	1.0
233.15536	0.7
235.42479	0.7
246.38310	0.5
247.16902	0.9
250.12050	0.8
267.13901	3.5
273.14963	2.3
283.17032	5.2
285.14954	2.2
301.18121	14.1
316.02090	0.8
319.19147	18.7
361.20248	0.7
367.22888	0.9
373.20285	0.7
429.42358	0.6
432.29858	0.6
443.28180	1.2
461.28677	0.8
479.30194	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	479.3017
Annotation	AC1Q6CTU
Peak:m/z	Relative Intensity
57.03452	4.1
59.01385	10.5
62.60707	0.3
65.57837	0.4
69.03435	0.5
71.01379	5.5
71.05023	3.0
73.02942	1.0
83.01357	0.4
83.05025	47.9
85.02947	12.9
87.08165	1.0
89.02449	5.8
99.00883	0.5
99.04552	0.7
101.02441	3.7
101.06081	0.9
107.28035	0.4
113.02439	2.1
115.07649	7.0
119.03529	0.7
123.04451	0.5
123.08132	2.1
125.06079	2.7
127.21805	0.4
127.27652	0.4
135.62418	0.4
141.09212	2.4
149.06088	0.6
150.03239	0.7
151.00345	3.3
159.10263	43.7
161.04588	0.8
163.11302	0.5
165.05569	2.1
211.14900	0.7
221.84833	0.4
231.13924	0.7
233.15508	2.1
241.05066	18.5
245.15486	0.5
247.17041	2.3
249.15031	0.6
250.12135	0.9
251.12846	0.8
255.14012	0.6
265.16025	0.8
267.13876	2.7
273.15042	1.0
283.17023	5.7
284.10611	0.7
285.14935	3.0
285.18155	0.5
299.12900	15.3
301.18112	9.8
316.02252	2.8
317.06732	0.7
319.19135	16.0
376.35513	0.5
385.23761	0.6
394.12518	0.4
443.27979	0.9
461.29181	2.3
479.08420	2.3
479.30234	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	479.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.0
59.01387	37.7
64.95135	1.1
66.37269	1.0
71.01383	41.8
73.02941	13.9
75.00917	1.1
83.01371	8.7
85.02950	18.8
87.00866	1.4
89.02440	14.5
95.01385	2.6
97.92164	1.3
99.00866	5.9
101.02440	45.4
106.70067	1.2
113.02445	20.1
119.03469	2.2
125.02392	1.8
138.23061	1.1
161.04527	10.8
179.05641	2.0
219.21260	1.1
315.25412	2.8
317.21207	7.2
317.26953	7.6
479.26306	26.2
479.32233	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	479.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.2
55.18232	0.9
57.03461	1.4
59.01103	1.4
59.01385	30.5
59.58814	0.9
61.98832	2.4
63.90245	0.9
66.61063	0.9
71.01379	34.8
73.02949	13.9
73.35356	0.9
75.00873	1.0
77.20516	1.0
83.01394	5.9
85.02953	20.1
87.00882	1.6
89.02446	9.9
92.20023	1.7
95.01394	3.9
97.02921	1.0
99.00891	5.2
101.02438	35.5
113.02443	19.0
121.67740	1.0
125.02486	1.1
151.24998	1.1
159.03029	1.5
161.04590	6.5
178.56267	1.1
181.08792	1.5
268.17572	1.2
315.25488	3.6
317.17578	1.0
317.27084	7.4
479.32343	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	479.3381
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
50.43447	0.7
57.35633	0.6
71.01392	1.3
71.49986	0.6
72.39899	0.6
82.55743	0.6
324.76492	0.7
328.37030	0.6
341.28745	1.0
343.25839	1.4
343.30081	43.8
345.31659	46.9
357.31693	1.5
373.34769	20.2
391.35855	1.0
410.21942	0.7
417.33777	52.7
435.35123	0.9
479.33829	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	479.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	46.9
59.86030	2.5
65.84482	2.9
69.10902	2.5
69.35488	2.4
71.02112	2.5
260.37634	2.8
315.30685	3.3
383.33356	4.1
385.31042	15.1
399.36453	4.1
419.35397	4.0
435.88409	2.8
479.37457	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	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43458	0.8
51.55546	0.9
59.01379	5.2
61.02785	0.9
61.98837	100.0
70.30989	1.1
78.92774	0.9
124.80977	0.9
162.16377	1.3
167.06715	2.0
182.09062	1.4
283.70035	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	480.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45972	0.5
57.98225	0.4
59.59081	0.5
61.98837	100.0
68.67999	0.4
88.73859	0.7
132.13264	0.7
246.87816	0.5
262.44611	0.5
417.21576	0.6
480.21057	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	480.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72064	0.6
59.01374	2.7
61.98835	100.0
64.28603	0.5
71.01361	0.8
78.78688	0.5
85.02962	0.5
97.20981	0.6
101.02453	1.0
116.78800	0.7
286.21069	0.6
375.21756	1.1
421.21091	0.8
448.52667	0.6
480.26855	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	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81797	0.7
59.01385	1.4
61.98835	100.0
64.61564	0.9
69.87461	0.7
71.01371	0.9
98.11211	0.7
113.02538	0.8
197.11870	0.8
229.58072	0.9
244.62883	0.8
274.18771	0.8
375.21719	3.2
388.86533	0.7
436.27307	3.1
480.26697	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	480.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98835	100.0
89.02454	0.8
101.02406	0.8
175.80234	0.9
180.00165	0.8
229.19849	0.8
235.65253	0.8
387.94473	0.8
398.00998	1.0
480.26849	1.7
485.53204	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	480.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69552	0.2
56.09328	0.3
63.47762	0.2
78.95907	9.3
114.84798	0.3
142.76282	0.3
152.99547	2.8
168.04321	3.1
206.75941	0.3
224.06952	6.3
242.07967	1.7
251.87585	0.3
255.23302	100.0
291.81937	0.3
480.30984	45.0
483.83032	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	481.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29684	1.2
59.28740	1.2
64.82090	1.4
75.75204	1.1
81.26531	1.5
85.02921	2.9
96.85078	1.3
99.32034	1.6
154.81660	1.5
158.99821	1.4
184.97633	7.6
191.05620	52.2
202.98659	2.0
210.99120	1.8
212.97223	1.9
216.84727	1.6
247.01323	29.8
266.98251	1.5
271.01456	1.8
273.02750	1.9
289.02438	38.9
315.04028	13.4
317.01941	25.8
327.00439	3.1
341.01871	1.7
343.03510	17.4
345.01398	2.8
359.02887	2.4
403.05573	18.0
421.06662	49.6
481.08740	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	481.0988
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
52.27161	2.2
60.75150	2.2
68.38576	2.1
82.35369	2.2
109.02981	2.8
113.02424	2.6
125.02443	85.0
137.02432	12.9
139.03967	9.2
147.00883	2.7
149.02422	4.3
151.00369	68.5
153.01927	33.6
163.00301	3.7
165.01944	13.1
167.03481	12.5
175.00366	72.0
177.01961	16.9
178.99855	35.0
179.03502	5.9
181.01424	19.3
184.36638	2.8
191.03526	15.2
193.01431	100.0
197.04529	37.6
215.03572	6.1
233.04538	4.5
257.04541	9.1
283.02496	4.5
287.07764	3.4
289.07227	4.9
291.05057	3.3
301.03641	20.8
319.04596	86.8
329.06845	3.7
341.05130	19.6
343.06793	4.9
463.08994	18.8
481.09366	5.2
481.15765	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	481.0989
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
52.49416	2.0
56.90710	2.2
58.24147	2.4
59.01383	4.8
61.98831	44.0
64.19570	2.5
80.84994	2.6
83.01360	2.6
84.00604	2.4
84.43644	2.4
89.02381	4.2
107.01422	3.0
109.03007	3.5
125.02440	92.2
137.02460	12.4
137.37210	2.4
139.03998	3.5
146.95500	2.6
151.00381	23.0
152.01157	10.6
153.01898	27.5
163.04004	3.8
165.01953	24.9
167.03522	26.3
167.36382	2.7
178.99875	25.0
191.03557	14.0
191.05551	4.4
193.01434	79.3
205.85828	2.8
209.04454	2.9
215.03445	5.0
217.25612	2.7
229.04922	3.2
233.04495	13.7
255.02808	8.9
257.04556	3.3
275.05646	5.2
283.02560	28.9
301.03543	11.5
355.06653	17.9
463.08682	46.4
481.09671	100.0
481.18109	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	481.0991
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
50.00474	0.7
54.32374	0.7
55.80276	0.7
58.34512	0.7
59.01374	1.9
64.85690	0.8
70.30871	0.6
71.01375	1.1
74.84577	0.8
90.88278	1.0
92.20180	0.8
113.02409	1.1
123.00868	1.8
123.04511	5.7
124.01673	10.4
125.02442	37.3
127.60751	0.8
130.43216	0.9
137.02448	3.9
149.94771	0.8
149.99586	28.5
151.00354	4.6
166.99919	0.9
167.03494	15.9
168.00644	79.5
169.01480	6.2
179.03535	1.0
222.10248	0.8
223.75008	0.8
269.06665	1.5
311.07602	1.7
313.05667	1.7
326.84097	0.8
331.06747	4.0
386.67825	0.9
463.09250	1.2
481.09888	100.0
481.26486	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	481.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12616	0.6
55.73928	0.6
59.01384	1.3
64.70196	0.6
71.01370	0.9
85.02937	2.8
87.75027	0.6
93.03400	0.8
111.74460	0.7
113.02468	0.8
115.89932	0.6
127.03963	1.1
135.04527	1.1
137.02467	0.7
161.02403	1.3
191.05620	100.0
314.83707	0.7
481.18167	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	481.1353
Annotation	Catalposide
Peak:m/z	Relative Intensity
50.69626	0.7
53.36326	0.7
55.61470	0.6
62.28702	0.7
67.87015	0.7
71.01377	0.8
75.31392	0.7
83.05020	4.7
93.03458	20.3
111.04527	8.7
112.23473	0.9
119.05021	51.4
137.01433	1.4
137.02438	31.4
145.02979	6.2
155.03496	13.6
163.04008	100.0
206.72626	0.8
319.08261	31.8
368.08157	0.9
481.13550	53.3
481.20447	1.9
481.27344	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	481.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90118	0.4
62.45293	0.4
62.75460	0.5
67.01880	2.0
73.02892	0.5
84.23724	0.4
94.88039	0.4
109.02943	100.0
121.02965	1.0
139.04041	6.8
183.01340	1.1
183.02980	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	481.185
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
55.06903	5.1
59.01381	37.8
61.63580	5.4
61.98827	12.3
62.78036	5.6
65.28139	6.0
71.01373	32.0
73.02972	8.9
74.98585	5.1
78.37002	5.5
80.33511	5.1
81.48273	5.5
81.88876	5.7
85.02928	8.8
89.02459	29.1
101.02450	36.1
109.02952	6.3
109.43180	6.0
113.02432	14.5
123.04498	11.7
124.01664	6.5
124.94406	7.0
139.04022	36.8
151.03969	7.4
164.65224	5.5
179.03485	30.7
204.28471	5.8
275.13144	7.6
303.08597	9.7
341.06793	7.1
421.20850	26.5
445.20914	40.2
481.11124	25.0
481.18503	100.0
481.26401	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	481.1847
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
59.01376	4.6
62.75303	1.8
68.88439	1.7
71.01374	8.5
75.68391	1.7
85.26273	1.8
86.49591	2.0
87.93394	2.0
89.02435	4.4
97.86643	1.8
98.01510	1.9
101.02451	2.9
111.00981	1.8
113.02435	2.4
122.72607	1.7
135.06693	1.9
301.36484	2.0
313.16434	2.3
330.24066	2.0
427.70731	2.3
445.21033	13.5
481.18472	100.0
481.25912	3.3
481.28519	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48513	2.0
57.03459	2.6
59.01100	3.4
59.01384	73.3
59.09171	1.8
71.01384	53.9
73.02952	24.7
74.50605	1.7
77.64431	1.7
83.01403	7.7
85.02948	33.5
87.00868	2.2
89.02432	10.8
92.19425	2.3
95.01366	3.5
99.00880	4.2
101.02442	67.2
113.02452	34.8
125.02433	7.0
127.17996	1.8
131.03485	28.1
143.03529	3.4
159.02951	2.5
161.04587	18.1
179.03484	2.2
289.16574	63.3
296.01703	2.2
376.85352	2.2
381.79288	1.9
421.20847	100.0
481.18005	4.3
481.28137	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44533	1.6
59.01384	10.5
66.09798	1.6
66.46765	1.5
71.01386	24.9
71.61266	1.6
73.02946	15.3
79.68826	1.5
79.98410	1.5
83.19056	1.5
85.02972	13.0
89.02433	3.5
92.76916	1.5
95.01391	2.0
97.81863	1.5
99.00888	4.1
101.02439	34.4
113.02455	18.0
125.02424	2.2
161.04552	8.1
188.64224	1.8
289.16534	8.2
325.72778	1.6
400.48532	1.5
421.20859	100.0
445.65152	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	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62548	1.2
54.34862	1.4
55.01873	1.3
55.85458	1.3
59.01108	2.6
59.01385	47.6
59.80322	1.5
65.88779	1.5
71.01373	38.2
73.02940	15.8
83.01385	3.0
85.02962	17.1
89.02440	21.1
91.60434	1.5
92.20109	2.2
93.03456	3.3
99.00872	3.7
101.02448	30.0
109.60915	1.5
111.00893	3.1
113.02445	18.7
123.04497	15.9
123.44221	1.6
124.69987	1.7
125.02444	2.9
131.03484	10.6
136.09579	1.6
137.02435	10.3
153.04372	3.6
153.05559	34.0
155.10736	1.9
161.04539	3.2
189.35786	1.5
208.33138	1.6
255.55075	2.3
266.78717	1.8
289.16547	10.1
328.93607	2.0
421.20840	100.0
481.18066	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	481.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35756	0.4
59.01382	6.8
59.01659	0.8
59.13908	0.5
59.89260	0.5
61.79866	0.6
68.91481	0.5
71.01383	4.5
73.02889	1.1
77.12803	0.7
80.75320	0.5
83.58346	0.5
85.02908	1.2
88.13675	0.5
89.02388	2.9
92.19404	0.6
93.03391	3.0
96.38701	0.5
101.02383	3.8
105.03473	0.9
111.04433	0.6
112.92433	0.5
113.02386	2.1
121.02863	1.2
123.04478	0.9
124.59219	0.5
133.02982	4.6
137.02411	1.0
141.09169	0.9
143.10776	0.7
149.02435	5.4
150.03142	1.1
151.03983	2.0
161.04535	1.2
161.40645	0.6
175.68108	0.6
177.01927	100.0
181.76378	0.6
195.02824	0.6
208.29977	0.6
270.07544	0.6
285.20453	1.1
303.21756	19.5
319.22513	1.1
459.63953	0.6
481.23956	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07347	1.8
78.95921	15.3
131.71053	1.9
138.51241	1.9
152.99585	62.8
153.00735	3.9
164.91902	1.8
171.00609	18.7
245.04288	75.6
253.21770	31.1
374.00607	2.4
481.25723	100.0
481.32449	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63902	1.2
71.38069	1.1
75.30022	1.2
75.97887	1.1
78.95913	17.1
83.27518	1.2
96.96961	1.8
138.07121	1.4
139.03793	1.5
142.52834	1.4
152.99586	59.5
171.00595	20.2
199.65193	1.3
199.97102	1.3
209.68027	1.5
227.03201	1.7
245.04323	73.9
253.21686	36.7
364.05917	1.4
377.91882	1.6
431.14767	1.5
450.78891	1.5
481.25766	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	481.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01374	1.3
62.14697	1.0
76.06072	1.0
79.64923	1.1
79.68322	1.1
83.01395	6.9
94.66523	1.0
96.09340	0.9
97.11539	1.0
108.50978	1.1
116.67107	1.1
125.02441	100.0
215.14058	1.2
249.63766	1.1
272.20444	1.2
274.83856	1.0
280.47723	1.2
355.25122	1.2
481.27899	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	481.2964
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
53.81089	1.1
54.24086	1.1
60.00229	1.3
64.52418	1.3
101.92982	1.2
149.99574	1.7
163.71710	1.5
186.14011	1.4
205.15958	12.7
215.18040	1.9
255.23251	2.1
257.19186	4.9
268.18323	6.5
375.30475	2.6
391.30127	2.4
393.31659	59.4
409.30951	1.8
419.29724	2.9
437.30637	89.6
481.29630	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	481.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21049	0.8
51.69436	0.7
57.03439	3.5
58.94142	0.7
59.01383	4.0
61.98853	1.0
71.01379	4.0
73.02952	3.6
77.10722	0.7
83.04997	0.8
85.02955	6.0
99.08144	5.4
101.02429	3.6
107.05060	1.3
113.02412	3.1
113.09672	1.0
125.06187	0.8
143.10779	21.8
151.07690	0.8
153.05635	1.1
161.09702	1.5
201.12875	5.8
213.12791	1.4
224.37085	0.8
231.13849	2.0
235.11308	1.0
237.12871	1.6
253.15994	5.1
257.15384	1.3
267.13947	1.4
269.15469	1.2
271.17053	7.9
283.17032	1.9
287.16629	10.4
289.18265	8.7
299.16501	1.0
301.18094	9.8
307.19128	0.8
309.22623	0.9
319.19183	22.3
327.23459	1.5
337.20285	1.2
345.20624	3.7
345.24371	3.8
352.43372	0.9
379.26553	3.2
397.27600	6.2
415.28571	7.8
421.20905	7.2
433.29657	6.6
463.30731	1.6
465.78458	1.1
481.31754	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	481.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81181	0.7
59.01386	11.9
60.10802	0.9
61.98837	25.0
71.01378	8.5
73.02958	2.1
77.26997	0.9
83.01412	0.8
85.02939	5.6
89.02435	5.8
92.20036	1.2
101.02426	5.6
101.64864	0.9
111.00890	6.5
113.02414	3.4
119.03490	1.1
120.05807	4.4
123.04517	1.0
125.06035	0.9
125.09692	4.6
135.08167	63.7
137.09750	1.2
151.07617	1.9
153.09184	1.3
161.04591	2.1
165.01917	0.9
171.10295	6.2
175.11319	1.4
203.14407	1.3
214.94528	0.9
215.12881	1.4
301.21548	1.1
305.63571	0.9
307.19095	1.1
309.21091	1.5
325.20300	2.0
325.23798	6.3
327.21835	45.2
327.25330	2.2
422.47943	1.1
445.29721	8.5
463.30688	21.4
481.32184	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	482.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15089	0.9
55.22097	1.0
56.36272	1.0
61.98835	78.3
64.95032	1.1
66.35659	1.0
81.03452	1.6
91.82080	0.9
125.02441	12.8
155.62471	1.2
181.68584	1.1
292.22595	1.1
375.25443	10.0
419.24423	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	482.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92979	1.4
61.98833	69.7
65.15990	1.5
76.03928	1.5
81.03424	1.7
125.02415	3.5
198.30255	1.5
334.68518	1.7
343.33679	1.6
403.96835	1.8
419.24420	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	483.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85937	1.1
52.09395	1.1
57.03468	4.0
58.87738	1.1
59.01386	16.3
76.77395	1.3
78.41117	1.3
82.04350	1.4
109.02946	9.9
111.04500	5.2
121.02956	1.8
125.02440	100.0
135.00859	1.8
137.02455	7.1
139.04030	16.1
149.06076	1.8
151.03941	1.5
153.01941	8.2
160.36586	1.4
163.00380	60.7
164.01115	2.8
165.01912	1.7
165.09244	2.1
167.03516	8.4
177.01924	22.2
178.02681	1.5
179.03555	9.7
299.05420	2.2
316.06439	1.3
357.06223	15.9
439.10971	10.2
465.08051	5.3
477.89795	1.4
483.09479	34.1
483.22269	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	483.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88999	0.6
55.04963	0.5
64.64863	0.6
68.03999	0.6
68.54839	0.6
93.12915	0.6
108.44023	0.5
109.02940	1.0
123.04534	1.0
124.01647	8.9
125.02409	1.2
133.02931	0.9
137.02435	11.3
139.04022	9.8
152.01131	10.8
164.01157	13.3
165.01927	9.1
167.03493	100.0
185.06108	1.6
203.07141	4.1
228.04231	1.1
229.04976	1.2
253.04964	1.4
268.82144	0.6
271.02774	1.5
271.06094	19.5
290.62317	0.7
303.05072	2.8
404.48404	0.7
439.10269	8.7
483.09421	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	483.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51440	2.0
59.01385	14.9
63.95015	2.2
67.03359	2.9
113.02444	4.6
125.02435	26.8
139.03952	5.1
149.53012	2.7
153.01953	4.9
153.05528	4.9
163.00359	16.3
165.01942	5.5
167.03520	5.3
183.03003	4.9
189.01837	3.0
196.40698	2.7
197.04630	3.1
207.02800	3.6
231.13881	4.5
257.04691	4.1
271.02417	2.7
272.03214	3.9
281.04556	13.6
293.04587	12.5
311.05505	3.7
315.05066	5.6
332.02936	2.8
373.03522	5.0
374.04211	3.5
388.05908	3.9
417.02264	3.0
421.09406	11.2
432.04932	3.4
447.07166	27.9
465.08279	100.0
483.09225	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14254	1.6
59.01384	33.8
67.86260	2.2
71.01372	32.7
74.54076	1.6
76.44757	1.6
82.49444	1.7
89.02440	3.0
93.11981	1.9
97.57792	2.0
99.00883	16.5
104.02594	1.9
113.87714	2.2
113.88605	2.0
115.00383	15.4
119.05029	9.2
142.99858	100.0
145.02954	44.1
161.00949	4.6
163.04037	14.7
181.79814	2.0
306.95789	2.0
339.10907	31.0
370.46664	2.2
483.11618	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	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64100	0.6
61.64286	0.7
67.01920	1.9
72.47741	0.5
79.92307	0.6
81.78001	0.7
83.05055	0.7
96.96957	0.7
109.02949	100.0
121.02937	1.2
131.29440	0.5
137.02342	0.7
139.04022	7.5
152.69916	0.7
173.04610	0.7
183.02997	26.7
371.11264	0.7
421.65897	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	483.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42517	0.6
55.01879	1.2
59.01106	1.3
59.01387	26.1
71.01382	29.3
73.02922	0.8
73.94544	0.8
87.00869	1.4
93.03489	0.8
96.96954	0.9
99.00870	7.3
104.08796	0.8
115.00373	7.2
117.02077	0.7
117.05345	0.8
119.05013	10.6
121.43445	0.8
125.02415	1.1
142.99864	100.0
144.01486	0.8
145.01826	1.7
145.02957	46.4
145.04092	1.6
146.89560	0.8
161.00893	0.9
163.04007	13.0
167.03500	1.9
169.31953	0.8
175.05992	1.1
339.10880	26.7
417.43109	0.9
433.07413	0.9
483.12073	0.9
483.20972	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	483.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31750	4.0
59.01382	7.1
64.28452	3.5
68.67616	3.3
77.68932	3.6
90.39017	3.6
92.20097	7.0
92.84615	3.4
93.03455	3.7
101.73528	3.7
130.06575	4.5
135.43283	3.3
136.01724	3.5
138.03236	35.3
139.03989	6.6
142.41647	3.7
151.04013	8.1
153.05566	100.0
160.13565	3.5
163.00362	7.7
164.01096	14.4
165.01863	19.2
168.94901	3.7
178.02673	6.1
179.03491	9.2
183.02980	33.2
197.04582	52.3
211.68419	3.7
252.04282	6.3
267.06613	18.7
270.05441	5.7
271.02780	3.7
271.06039	14.0
285.07764	18.9
351.37900	4.4
439.14276	5.4
465.08151	26.1
483.13840	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1872
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
50.32771	1.2
58.83746	1.4
59.01385	29.2
60.07771	1.3
62.84623	1.3
64.88367	1.4
71.01373	1.5
73.02951	1.8
83.01366	5.5
83.05012	1.5
85.02926	2.8
87.21179	1.3
89.02451	2.3
89.90455	1.4
94.64694	1.4
101.02485	1.7
102.68964	1.4
109.18746	1.4
124.01646	24.4
125.02406	2.4
137.09738	10.1
139.04013	98.9
155.10774	31.0
167.07123	17.1
167.23659	1.3
175.11244	3.3
179.10799	5.4
181.08704	5.6
199.09753	6.3
203.10822	2.8
205.08607	6.5
207.72432	1.5
223.09694	9.0
231.13818	2.8
237.11407	1.7
247.09566	2.6
265.10773	6.7
313.72153	1.6
333.96503	1.4
343.13983	3.4
423.20181	3.0
447.16553	2.5
447.22256	5.1
483.18909	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	483.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20158	4.8
109.73422	4.7
124.20960	5.1
195.10623	5.2
388.16748	5.3
423.22159	5.9
447.22430	11.3
451.57654	5.1
483.20010	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	483.2005
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
53.61473	2.4
59.01383	6.6
62.77084	2.6
71.01376	5.1
74.34406	2.9
77.71624	2.5
81.53080	2.6
89.02445	3.6
92.19455	6.1
95.61018	2.5
101.02433	10.9
167.07088	17.3
447.22418	29.6
483.19995	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	483.2007
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
54.87836	4.3
58.97783	4.6
59.01395	37.7
66.13831	5.2
71.01381	27.0
73.02964	5.4
79.42262	4.6
89.02438	11.0
101.02444	23.7
121.02960	8.5
135.08200	6.7
165.01997	6.6
167.03496	24.7
167.07083	9.2
181.08684	27.0
183.02928	10.0
206.09430	5.3
313.28638	5.0
329.23282	7.7
343.13916	22.2
447.22217	46.6
458.41849	5.3
483.09586	8.7
483.19849	100.0
483.33121	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	483.2007
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
92.20158	4.8
109.73422	4.7
124.20960	5.1
195.10623	5.2
388.16748	5.3
423.22159	5.9
447.22430	11.3
451.57654	5.1
483.20010	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	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64074	1.2
51.94123	1.2
53.67936	1.2
59.01386	100.0
61.98847	1.6
67.46415	1.4
71.01385	1.5
85.02966	3.0
95.01363	1.3
101.02437	1.5
109.02969	1.8
113.02411	1.9
121.02946	5.6
123.04501	26.9
153.05574	46.9
162.67131	1.3
164.23776	1.4
167.03545	1.6
181.08727	1.6
184.74503	1.5
188.33765	1.6
214.26512	1.3
269.11749	6.6
305.13870	8.3
357.12009	3.0
359.93039	1.4
423.20322	60.2
483.22333	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	483.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00679	1.3
55.50241	1.3
59.01386	100.0
65.71049	1.5
71.01368	7.8
75.00861	1.5
83.49053	1.7
85.02921	3.0
101.02418	2.6
105.07082	1.6
111.00876	14.3
125.56609	1.6
131.24301	1.5
133.06554	3.2
135.08157	6.4
139.07568	1.7
147.46323	1.6
149.06079	2.0
165.01947	3.2
168.10823	1.9
185.09810	2.0
211.11292	2.9
213.09222	3.5
221.09734	3.0
223.11295	8.5
233.09897	2.0
236.08527	2.4
239.10770	8.3
241.12425	7.1
246.88472	1.8
251.10770	11.0
257.11752	1.6
269.11914	15.9
287.13071	2.5
288.75836	1.7
305.10580	3.0
305.13965	77.7
306.05316	3.1
327.21719	6.1
329.23505	1.9
331.04572	6.6
365.16251	11.6
425.17899	3.5
451.08160	6.1
483.11377	11.6
483.22382	10.9
483.33606	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	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69666	0.9
54.11273	0.8
55.32810	1.1
59.01379	1.6
60.99319	12.5
88.98804	100.0
92.19532	1.7
102.52785	1.0
125.02429	1.9
192.88512	1.2
349.23376	1.2
385.38428	1.2
393.22928	19.4
431.24997	1.2
447.14801	1.6
483.11429	1.2
483.29724	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	483.224
Annotation	Taxumairol X
Peak:m/z	Relative Intensity
54.46364	1.1
59.01387	100.0
60.21092	1.2
61.78880	1.1
61.83676	1.4
61.98828	1.8
63.48390	1.1
71.51070	1.3
75.05341	1.2
92.19436	2.7
104.58450	1.5
125.02479	2.2
127.64342	1.3
130.92941	1.3
131.34117	1.3
154.63730	1.2
160.53922	1.5
207.38377	1.4
229.28084	1.3
361.16714	2.9
405.19247	12.8
423.20200	2.5
425.02823	1.3
452.40347	1.7
483.22284	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23827	2.7
55.19063	3.4
59.01386	100.0
67.59908	2.8
78.24055	2.5
80.45538	2.4
80.69633	2.9
86.53400	2.9
91.25228	3.0
106.95137	2.6
125.02445	17.9
132.71979	2.9
163.00349	18.7
168.48883	3.0
193.10100	2.8
223.11263	4.3
225.09161	2.9
239.10738	4.5
240.03111	2.8
241.12198	3.7
251.10812	11.4
267.11060	3.5
269.11810	11.6
305.13947	51.2
313.03006	3.7
365.16058	10.2
393.31589	3.2
483.09818	3.9
483.22263	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	483.2349
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
53.15457	0.5
61.98832	19.4
63.47410	0.5
81.03436	1.1
86.24931	0.7
88.15389	0.6
92.20155	1.3
96.94412	0.6
99.00857	0.6
105.41019	0.7
114.49144	0.6
125.02451	11.4
145.26654	0.8
180.24243	0.7
194.15457	0.7
205.96103	0.6
331.22885	1.2
349.23828	5.2
393.22855	100.0
420.23978	7.4
460.97604	0.7
468.69177	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51513	1.6
59.01384	37.7
71.01373	21.3
73.02958	15.5
75.00867	9.2
83.01372	8.2
85.02960	12.8
89.02399	2.8
93.03432	2.2
99.00875	4.5
101.02447	45.2
113.02438	21.0
113.06065	2.2
123.04503	7.1
125.02435	10.5
128.17686	1.8
129.02019	1.7
133.03064	1.7
135.04547	2.8
137.02451	4.2
138.03271	17.5
139.03999	8.0
141.09198	2.7
141.40817	1.9
147.13879	1.7
151.03992	7.2
153.01953	3.1
153.05579	62.1
155.10710	1.6
159.03052	2.0
161.04550	7.4
163.00366	7.6
164.01122	9.0
167.03506	3.1
167.58574	1.8
177.01923	8.5
178.02669	8.1
179.03487	7.9
181.08699	29.1
193.05069	2.7
197.04558	31.5
223.86426	2.1
242.05861	2.6
252.04260	2.7
256.03543	2.3
267.06622	12.1
270.05515	2.1
271.06143	4.0
277.16562	22.7
285.07657	9.8
326.94174	2.2
375.15463	1.9
423.22400	100.0
439.14102	2.3
447.07187	7.8
465.08435	24.8
483.12616	13.6
483.19009	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	483.2755
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.21521	0.4
56.91164	0.5
84.26363	0.5
86.04584	0.6
98.98936	0.5
104.43537	0.6
110.66886	0.6
123.04520	100.0
176.18596	0.6
181.16016	8.2
189.09196	0.7
225.14969	11.8
243.15845	0.6
451.35519	9.7
452.79736	0.6
483.27570	39.9
483.38455	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	483.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02502	4.1
55.26205	3.8
59.01381	97.9
65.17552	3.7
71.01374	68.1
75.62713	4.2
85.02967	4.8
89.02442	100.0
96.65569	4.5
101.02438	23.7
113.02449	20.9
114.90501	4.2
119.03454	7.5
161.04512	5.5
161.98213	4.1
178.68173	4.4
179.05614	28.5
227.97011	4.6
260.65253	4.0
299.35913	6.1
303.23282	27.6
316.21567	4.6
373.78162	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	483.3117
Annotation	Cangoronine
Peak:m/z	Relative Intensity
68.24179	1.3
77.62476	1.3
78.95895	2.5
119.10097	1.5
136.84026	1.6
150.77132	1.3
151.44588	1.7
152.01146	1.8
152.99600	22.1
171.00610	1.7
173.00510	1.4
182.14519	1.3
191.14420	1.9
205.15994	64.3
207.17526	2.6
242.86951	1.6
249.14900	2.5
251.16455	2.6
255.23305	100.0
261.18506	2.4
275.12790	3.0
276.13614	3.1
393.31464	1.8
409.30966	2.9
411.32587	11.9
421.31161	13.2
439.32217	96.1
455.31595	9.3
483.26453	16.2
483.32288	94.4
483.54605	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	483.3117
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
51.44937	0.6
52.48633	0.7
66.56741	0.6
70.87119	0.7
78.95905	3.2
104.75506	0.7
121.22382	0.7
152.99574	8.9
179.58675	0.7
189.12883	0.9
191.14531	1.0
205.15979	26.9
207.17548	1.0
231.17458	0.8
247.16974	0.9
249.14896	1.4
255.23322	100.0
261.18533	1.3
275.12888	1.2
393.31448	1.1
409.31223	0.9
411.32861	5.7
421.31067	4.8
439.26208	1.5
439.32230	42.0
455.32010	3.4
465.30325	1.3
483.26465	17.7
483.31308	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55931	0.6
54.89641	0.9
56.42427	0.7
61.98837	100.0
70.78268	0.9
80.73815	0.8
109.75718	0.9
159.10695	0.9
346.66010	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	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90585	0.3
59.01383	0.7
61.98836	100.0
71.01404	0.6
71.17137	0.4
73.02940	0.4
88.38104	0.4
101.90253	0.4
115.47814	0.4
118.00157	0.4
127.46813	0.4
146.84822	0.4
154.08794	0.4
164.72833	0.4
246.59976	0.4
424.21518	3.3
484.27295	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	484.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30561	1.4
58.02973	6.3
59.01368	7.5
61.98835	18.7
65.10053	1.5
65.40346	1.6
72.87872	1.3
74.02467	18.0
86.02454	11.1
88.98798	10.0
90.41199	1.5
92.19975	2.1
99.05651	19.5
101.02444	1.6
112.04039	3.2
113.02356	1.5
125.02279	1.4
126.04360	1.6
127.03532	1.5
128.03525	51.1
134.57454	1.8
135.05618	3.4
137.07225	1.7
141.06694	2.8
143.04625	77.3
145.06171	2.4
146.04562	7.2
153.06711	3.6
160.00735	17.4
166.09845	3.1
167.04636	6.4
167.08339	2.7
177.03419	7.4
179.04587	13.6
181.06230	2.0
181.08717	20.9
182.09061	15.1
206.95744	1.4
210.08827	16.6
211.81874	1.7
254.07855	11.6
272.08978	22.3
288.06564	8.5
299.93182	1.8
306.07669	100.0
317.66928	1.7
424.22787	2.8
448.16919	6.4
484.20959	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33823	0.7
57.47365	0.7
61.98834	68.6
81.03453	1.7
116.54552	0.8
122.03713	1.0
125.02426	4.3
125.20098	0.9
125.21194	0.9
131.97343	0.9
133.56325	0.8
159.07016	0.8
223.65211	0.9
244.13576	0.9
377.26984	7.6
421.25974	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	485.1226
Annotation	Scirpusin B
Peak:m/z	Relative Intensity
59.01379	7.3
70.47364	6.0
78.00959	5.4
82.61402	5.7
119.05012	6.6
120.06177	6.0
135.04538	100.0
139.91042	6.6
165.05533	10.5
171.93303	6.6
209.59837	6.6
251.46468	6.3
341.79510	7.5
389.79257	7.2
401.12750	23.4
485.12161	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1455
Annotation	Aquayamycin
Peak:m/z	Relative Intensity
52.41551	0.6
54.40494	0.6
55.70260	0.6
57.03452	1.4
62.85714	0.6
80.73958	0.7
81.03456	0.9
83.01394	3.2
87.00877	0.8
89.20344	0.7
101.89391	0.7
109.02957	1.5
123.00858	0.9
125.02441	22.9
135.04509	1.5
137.02444	19.1
138.03200	4.2
139.03990	2.6
151.03987	1.0
164.01143	4.4
165.01932	10.1
167.03447	1.6
173.04599	0.7
177.01929	1.5
179.03520	7.4
181.08705	7.3
191.03497	3.0
191.05469	0.7
203.03575	0.9
217.04958	3.2
218.05684	0.7
219.02974	1.6
220.03798	6.3
230.79305	0.7
232.03809	6.1
235.06123	1.0
241.05035	1.4
243.03036	1.5
244.03810	11.1
256.03751	5.7
258.05283	1.7
259.06122	3.6
262.05011	0.9
268.03793	0.9
269.04788	0.8
272.03290	10.2
273.11243	1.0
274.04932	0.7
284.06732	1.2
295.06097	1.1
297.07874	1.3
304.09448	0.9
305.10321	14.5
310.04568	0.9
313.10800	1.2
317.10410	5.0
319.11780	3.2
326.07990	0.7
329.10309	7.8
341.03397	0.9
341.10287	9.4
345.09924	1.6
347.11349	7.8
357.09784	2.9
357.13647	0.9
358.10590	1.5
368.09106	1.3
379.00140	0.9
382.68723	0.7
395.94901	0.8
399.14520	5.7
401.12378	3.2
417.15662	1.6
441.15591	6.9
467.13620	0.9
485.14539	100.0
511.22238	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	485.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64711	0.8
71.69461	0.8
76.27489	0.9
83.01385	1.6
86.49239	1.0
94.24106	0.8
97.17100	1.2
106.35394	0.9
125.02453	22.3
137.02443	22.2
138.03171	1.7
139.04004	1.4
139.21954	1.0
164.01125	1.8
165.01953	6.5
167.03496	1.4
175.04060	1.1
176.05072	1.3
179.03497	6.5
181.02942	1.1
181.08698	4.5
217.05051	1.6
219.02936	2.0
219.13245	0.9
220.03790	6.5
223.07649	1.4
228.04272	1.3
232.03731	5.6
241.05002	1.4
242.05832	1.0
243.02945	5.8
244.03789	7.2
246.05374	1.8
254.87694	0.9
256.03702	4.8
257.04611	1.8
258.05353	2.2
260.07175	1.0
268.03860	1.2
272.03116	8.3
273.11337	1.7
301.10983	1.7
304.09473	1.5
305.10324	18.7
317.10397	2.2
319.11893	3.7
326.08121	1.2
329.10226	6.5
341.10468	8.5
345.09689	1.0
347.11353	6.2
357.09741	2.1
358.10526	1.9
368.08896	1.5
383.11536	1.3
399.14365	4.1
401.12408	2.2
417.15656	1.6
441.15649	8.2
485.14581	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	485.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14396	1.1
58.37425	1.5
59.01384	32.6
65.96328	1.1
67.89777	1.2
71.01385	26.0
72.99310	2.7
73.02935	12.2
81.03424	1.6
83.05091	1.4
85.02959	11.1
87.00883	2.5
89.02441	48.3
92.20020	2.5
93.03452	19.7
99.00879	8.6
99.04521	6.2
101.02440	28.3
102.87035	1.3
104.28185	1.3
111.00879	2.6
111.04508	20.8
112.98764	2.7
113.02405	9.5
115.00363	1.9
115.12650	1.8
119.03494	2.1
131.03555	10.7
132.11664	1.4
135.74712	1.5
137.02443	8.5
143.03506	7.4
149.04572	33.5
155.03484	22.0
157.42584	1.4
161.04559	2.6
173.04547	49.4
179.05592	2.0
179.18158	1.4
191.05627	100.0
259.49088	1.4
293.08783	2.2
311.09811	8.3
485.14859	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	485.1952
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
54.13276	9.7
68.74752	8.7
75.08733	10.3
77.05520	9.4
80.54296	9.4
81.18710	11.0
92.79401	10.8
150.52609	12.8
167.07222	10.4
183.02954	17.8
309.14877	11.3
311.01205	9.7
411.55594	11.1
425.22714	10.5
485.19498	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	485.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56908	7.8
54.47807	7.9
59.49590	8.1
65.33492	9.3
67.50517	7.9
101.02461	8.6
165.81262	9.5
167.07146	100.0
181.08650	8.8
183.03067	14.7
205.03734	10.6
265.72192	8.3
306.02567	9.5
411.79495	10.0
485.19128	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1952
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
54.13276	9.7
68.74752	8.7
75.08733	10.3
77.05520	9.4
80.54296	9.4
81.18710	11.0
92.79401	10.8
150.52609	12.8
167.07222	10.4
183.02954	17.8
309.14877	11.3
311.01205	9.7
411.55594	11.1
425.22714	10.5
485.19498	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	31.9
61.34825	3.1
61.98820	6.3
71.01377	9.3
74.57196	3.3
101.02473	4.5
106.42031	4.2
113.02431	4.5
139.07655	14.5
151.07611	21.2
152.08403	19.0
153.05556	5.6
153.09213	14.7
155.07257	3.7
167.07085	5.5
201.12859	8.3
204.11546	21.1
206.88397	4.1
219.13913	30.9
245.11705	8.2
252.28189	4.6
263.12857	100.0
268.26569	4.1
294.75699	4.2
305.14026	14.1
421.94638	4.6
425.18066	7.5
485.21866	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	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64085	0.7
54.21416	0.8
59.01385	0.8
60.99315	9.9
88.98801	100.0
116.76718	1.0
125.02436	1.2
157.37328	0.9
220.68672	1.0
223.82661	0.9
312.46545	1.1
377.24194	1.0
395.24368	25.6
449.16422	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	485.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	11.7
66.38995	0.6
67.92840	0.6
87.80832	0.7
88.98804	100.0
91.43652	0.6
125.02441	0.8
157.97845	0.6
277.17798	0.8
339.88007	0.7
395.24393	20.2
427.58093	0.7
447.14807	2.4
449.16412	2.4
485.14005	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	485.2397
Annotation	Taxuyunnanine P
Peak:m/z	Relative Intensity
50.12898	1.5
57.03453	2.0
57.26913	1.5
59.01112	1.7
59.01388	47.1
61.98822	7.2
68.99576	7.6
69.03443	3.4
70.86145	1.6
71.01385	9.8
71.05024	2.8
72.99326	2.1
73.02963	16.0
73.03320	2.0
79.20679	1.7
81.03470	13.3
83.05029	8.5
85.02951	48.6
97.02940	9.5
97.06625	2.1
99.04517	68.0
103.03993	2.5
107.05004	9.4
111.04516	10.9
112.98573	6.8
115.04058	1.8
121.06569	8.7
122.03728	1.9
123.04491	9.4
123.08122	2.3
124.01657	8.4
125.06079	16.7
135.04532	2.9
137.02423	2.5
137.06084	27.0
138.68596	1.8
139.03989	15.9
139.07642	8.1
147.08191	2.5
149.02380	2.5
149.06065	32.8
151.00331	9.0
152.01155	3.7
155.07091	2.1
163.11259	6.5
165.05563	3.3
166.06296	1.8
167.03496	39.3
167.07140	46.8
177.01941	90.3
183.06615	2.2
201.70621	1.7
285.04077	8.2
287.05692	3.2
317.06598	4.1
329.17749	12.4
345.06189	2.3
347.18878	2.6
365.19461	2.9
383.20721	16.5
425.21872	100.0
443.23016	13.7
449.10748	2.9
485.10931	34.8
485.24533	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28992	4.7
53.18359	4.9
59.01385	47.4
59.46625	4.9
60.39172	5.2
66.47523	5.3
70.82576	5.5
70.88461	5.3
71.01395	11.7
73.02949	24.5
81.03456	27.2
84.15002	5.7
85.02943	34.1
86.23862	6.0
99.04515	78.4
111.04508	9.6
111.21664	6.2
121.06577	9.3
125.06072	14.6
137.06113	41.9
139.04027	7.6
149.06056	7.7
151.04050	8.3
165.01926	55.2
166.19151	5.8
167.07130	14.5
172.70135	6.7
183.02977	100.0
206.57121	6.0
219.81978	6.1
245.19920	6.5
365.20181	7.1
383.20703	39.3
425.21805	50.0
443.22836	9.3
453.08246	7.5
485.10806	34.1
485.24103	79.8
490.44492	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	485.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.6
59.01648	1.3
71.01373	2.2
73.02940	1.3
74.86946	1.3
79.11549	1.3
83.36655	1.3
89.02433	3.6
89.48183	1.4
92.20139	1.4
93.68557	1.5
101.02438	6.2
113.02426	2.4
148.63507	1.8
249.18594	100.0
253.09256	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	485.2911
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
50.47409	0.5
61.08028	0.5
62.64284	0.7
71.49180	0.6
91.06850	0.6
121.38385	0.6
123.04520	100.0
129.37389	0.6
130.03261	0.7
146.48100	0.7
162.51776	0.7
189.09247	3.6
319.82907	0.7
460.65918	0.7
470.27176	0.8
485.29166	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	485.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59223	5.3
58.41697	6.3
59.01386	91.6
62.49170	6.0
71.01370	61.2
86.69978	6.0
89.02445	100.0
95.49854	6.4
101.02435	27.3
113.02428	29.2
119.03493	14.6
179.05617	32.6
305.24884	48.9
336.53595	7.9
347.29086	6.5
378.55917	7.7
485.28110	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92472	0.4
59.01404	0.7
61.98836	100.0
70.29758	0.5
84.37989	0.5
92.53497	0.5
111.87679	0.5
112.19051	0.5
184.51506	0.6
210.08130	0.6
248.65375	0.6
481.15997	0.6
486.20862	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	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65575	0.6
58.96883	0.6
61.98836	100.0
76.27607	0.7
85.78149	0.7
92.20049	1.0
122.07661	0.7
129.24146	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11251	0.6
59.01387	4.3
68.74739	0.8
71.01378	6.0
71.76903	0.8
73.02947	0.8
85.02885	0.7
87.00867	0.8
89.02443	6.5
101.02464	2.7
113.02438	2.9
115.00310	1.4
117.03454	7.8
119.03576	0.9
119.05011	27.2
123.04504	1.3
125.02437	1.5
143.03436	1.4
145.02948	100.0
150.03207	5.8
153.05621	1.2
161.04520	3.6
161.08217	3.0
163.04010	45.9
164.75240	0.7
165.05565	4.5
179.05557	2.9
192.00681	10.5
193.01385	9.3
194.02249	9.7
209.04587	13.5
223.06180	1.0
286.79327	1.2
299.50861	0.8
323.09949	1.3
371.09866	7.9
374.39737	0.8
487.15005	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	487.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07860	1.2
59.01380	5.5
70.75877	1.4
71.01418	4.0
72.18878	1.4
83.53799	1.4
85.96271	1.1
101.02465	2.9
106.73446	1.2
113.02481	1.9
123.04482	3.3
139.03951	1.9
139.07666	100.0
150.85934	1.3
151.58205	1.4
179.03435	2.1
183.06624	20.7
232.81987	1.7
303.08707	1.5
427.19916	1.9
514.71069	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76609	0.4
59.01381	1.1
59.72572	0.5
63.72374	0.5
70.98427	0.5
71.01384	1.0
75.20902	0.6
80.88769	0.5
84.04556	2.3
89.02449	3.5
98.02454	0.6
101.02446	1.0
101.07194	1.3
109.04070	5.8
121.96059	0.6
125.03582	1.1
127.05126	23.4
128.03532	7.8
145.06198	100.0
156.74432	0.6
195.16031	0.5
213.46547	0.6
250.95210	0.5
341.10953	5.3
487.17728	0.7
491.22839	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91003	0.3
71.01384	0.5
71.05010	2.6
74.96655	0.4
87.04529	1.6
92.20126	0.6
99.04517	11.7
108.65025	0.4
111.21347	0.4
115.04009	7.7
115.07677	0.7
117.05576	11.2
119.05047	0.8
126.18761	0.4
132.18567	0.5
145.02963	9.3
154.32402	0.4
161.08194	100.0
163.04019	1.0
171.49347	0.5
245.08105	0.6
289.07190	0.9
298.76251	0.4
325.09201	3.1
382.61652	0.5
451.12662	0.6
487.14551	0.9
514.64465	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	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30425	1.6
59.01386	100.0
69.03458	3.1
71.01385	61.3
73.02940	7.6
81.03500	2.4
83.01377	2.8
85.02499	1.8
85.02949	16.9
85.39063	2.0
87.00875	2.5
88.65836	1.9
89.02442	64.2
91.90569	1.9
95.01433	4.0
97.02953	9.1
99.00853	3.3
101.02455	46.0
101.13352	2.0
110.49574	1.9
113.02454	33.3
114.69788	2.5
119.03495	22.9
125.02434	25.0
126.27590	2.1
131.03505	4.8
143.03517	3.9
148.05321	52.9
161.04576	12.5
163.07678	23.7
167.14023	2.0
179.05667	14.5
221.06714	18.1
263.07605	4.0
323.09824	40.1
342.98026	2.3
355.40442	2.2
451.21582	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	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	4.0
59.01386	98.1
69.03448	3.7
71.01380	76.8
73.02956	10.9
77.17850	2.1
83.01391	10.7
83.33033	2.3
85.02950	15.9
87.00877	3.4
89.02451	64.4
91.57633	2.5
95.01354	2.7
97.02921	5.5
99.00882	4.0
101.02443	63.0
113.02460	31.5
116.29714	2.8
119.03496	30.7
125.02450	34.3
131.03514	10.7
133.02945	6.0
143.03490	9.9
147.04451	2.6
148.05322	40.3
161.04568	5.6
163.07652	100.0
179.05656	19.7
221.06683	28.6
263.07761	11.3
287.51276	2.8
323.09851	64.3
355.13095	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	487.1977
Annotation	Aglacin A
Peak:m/z	Relative Intensity
51.32384	0.5
52.98698	0.5
55.94140	0.5
59.01379	3.1
63.18580	0.6
63.84023	0.5
64.56017	0.5
66.34354	0.5
67.79813	0.5
68.44995	0.5
68.52097	0.5
68.89680	0.6
71.01386	0.6
80.73393	0.6
93.43609	0.6
193.79689	0.7
201.21233	0.6
202.80280	0.6
264.44382	0.6
279.13788	1.1
296.88956	0.6
307.13434	5.8
324.13708	17.7
325.14481	100.0
442.28488	0.7
487.19739	53.8
496.28568	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	487.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
59.59290	0.4
62.29022	0.4
65.34497	0.5
82.78800	0.4
96.67468	0.4
98.26306	0.5
106.72610	0.4
121.02921	0.5
153.63248	0.5
201.78723	0.5
218.52264	0.6
279.13916	0.9
292.11343	0.6
307.13419	7.3
309.11304	0.7
324.10138	1.0
324.13705	15.0
325.14481	100.0
487.19781	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2107
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
63.83512	5.6
79.23552	5.3
85.30145	4.8
86.46062	5.0
121.02933	10.9
352.19028	22.4
357.12518	7.0
386.17896	20.8
487.21033	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	487.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75656	3.9
52.95740	4.1
54.35701	4.5
54.36028	5.3
59.01386	98.7
68.85464	5.9
71.01380	81.7
72.33044	4.7
85.02953	6.5
86.49065	5.3
89.02438	100.0
101.02439	26.5
113.02424	30.0
119.03496	9.4
125.09730	6.6
143.03502	12.0
179.05598	45.4
209.11792	23.4
230.45381	5.3
245.19066	6.6
289.18179	9.0
296.56812	6.5
307.19174	64.2
411.43591	5.5
484.92319	5.3
487.36383	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	487.2704
Annotation	Isocochlioquinone C
Peak:m/z	Relative Intensity
64.73148	0.3
68.71729	0.2
74.55549	0.2
92.20058	0.8
97.06618	1.9
99.50714	0.3
103.11083	0.3
111.35765	0.3
122.03761	0.4
123.04520	100.0
161.06117	0.3
167.09717	0.2
169.06870	0.2
173.11859	1.0
189.09253	2.8
215.00496	0.3
322.52917	0.3
472.24628	0.4
487.27069	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	487.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50536	0.7
55.84864	0.7
59.01383	5.5
62.00595	0.8
64.73362	0.8
71.01368	1.9
71.02987	0.8
83.05034	7.3
89.02437	3.8
100.58798	0.8
101.02441	4.2
113.02464	1.0
125.18641	0.9
135.38457	0.8
145.05070	4.7
214.16458	0.9
223.20657	4.9
251.20171	100.0
253.09270	11.1
267.19629	3.9
285.20682	5.6
487.28931	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	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85051	0.5
54.29712	0.5
61.54808	0.5
99.47021	0.6
102.05618	30.9
106.78369	0.6
115.60472	0.7
115.87671	0.7
127.05119	1.5
128.03552	29.1
128.05545	0.8
134.18619	0.7
145.06213	8.5
146.04604	100.0
146.06496	5.5
341.10983	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	488.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
59.81210	0.4
61.98835	100.0
63.51245	0.4
79.87101	0.4
82.33598	0.4
82.86504	0.4
85.49297	0.4
137.82953	0.5
167.07040	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	489.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11198	0.5
55.21801	0.5
59.01415	0.6
70.43410	0.5
78.55386	0.5
88.65376	0.5
88.66171	0.5
95.98663	0.6
96.35882	0.6
107.34344	0.6
117.01948	2.1
145.69934	0.5
146.50783	0.6
148.52484	0.5
167.85954	0.6
199.46985	0.5
231.10271	3.8
313.14511	2.6
328.16788	7.1
329.17609	100.0
342.27957	0.7
423.32797	0.6
445.18768	21.1
462.69955	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	489.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94600	0.6
76.82150	0.6
77.83752	0.7
84.43307	0.9
85.02946	3.3
86.61863	0.7
93.03465	0.9
105.48462	0.7
123.06007	0.9
129.01929	0.9
146.04576	4.7
147.03026	1.1
147.04881	0.9
159.24335	0.6
173.04561	1.4
191.05626	100.0
239.43445	0.7
263.95264	0.7
276.98172	0.7
436.33905	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	489.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21059	0.4
54.63864	0.4
59.01384	4.3
59.09491	0.4
71.01379	2.0
73.02953	0.7
75.00878	0.7
81.03467	0.6
83.42862	0.4
85.02948	3.2
87.00835	0.6
89.02453	0.6
89.38802	0.4
92.19402	0.9
93.03461	8.1
96.96962	0.8
108.49661	0.4
111.00854	0.4
111.04514	0.8
113.02416	0.4
121.02926	0.7
127.04005	0.9
137.02461	0.5
146.26990	0.5
159.76302	0.4
165.01930	1.6
173.04533	5.7
191.05623	100.0
194.07649	0.5
321.77328	0.5
489.12659	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	489.1912
Annotation	PIPERADUNCIN A
Peak:m/z	Relative Intensity
59.01381	1.4
63.49626	0.8
63.96233	3.7
64.97022	5.4
65.63934	0.9
71.05016	1.7
75.85349	0.9
76.44451	0.9
87.05634	1.2
96.25354	0.8
99.04491	1.2
101.02440	1.5
103.68675	1.0
115.05164	1.3
115.31639	1.2
118.95284	0.9
126.00250	1.1
135.04517	5.2
145.02908	1.4
146.07068	2.1
146.08235	57.8
161.06088	1.3
162.02313	2.2
163.03954	1.1
175.02489	1.2
181.08710	6.6
194.80701	1.0
217.11948	17.6
224.60899	1.0
228.42624	1.1
243.13527	1.7
254.23837	1.1
271.06479	42.7
277.47086	1.0
309.11295	13.7
342.10138	6.4
359.13095	1.7
404.27649	1.1
489.19189	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.6
59.95456	0.3
61.04712	0.3
71.01370	2.0
73.82645	0.3
81.59806	0.4
89.02462	0.9
101.02454	0.4
111.09261	0.4
113.02450	0.7
114.74387	0.4
119.03491	0.6
125.02432	0.7
139.79453	0.4
154.13165	0.4
165.09207	100.0
166.28481	0.4
179.05659	0.6
203.07147	0.7
205.05130	0.5
245.08331	0.7
266.90833	0.4
279.65698	0.4
289.07248	2.0
323.09830	3.9
451.14273	0.5
453.15402	0.5
489.19794	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	489.2132
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
51.72893	0.3
58.82313	0.3
59.01379	2.1
61.98837	0.4
70.30917	0.3
92.20049	0.4
113.02472	0.3
150.72725	0.3
153.05479	0.5
158.87012	0.4
182.06111	0.3
211.64053	0.3
299.16501	0.4
309.14835	0.6
311.12955	0.6
325.14258	0.4
326.15292	3.9
327.16025	100.0
489.21329	41.6
489.30521	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	489.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.9
65.92887	0.3
68.19941	0.4
70.65822	0.4
77.85977	0.4
81.93227	0.4
116.07002	0.4
121.02946	1.0
134.08109	0.4
165.13371	0.4
169.28755	0.5
203.07181	0.4
229.08765	0.7
294.12744	1.0
309.15030	3.7
326.15326	5.5
327.16040	100.0
489.21332	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2129
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
59.01383	9.7
59.73056	0.7
60.99610	0.8
61.98807	0.8
71.01370	5.1
73.02926	1.1
85.02942	1.2
85.07279	0.8
89.02424	3.6
101.02417	3.6
107.87567	0.8
113.02405	1.3
123.04493	3.0
161.04634	0.7
211.03951	6.8
275.67068	0.8
293.11838	1.7
294.12668	16.6
309.14993	45.0
326.15164	4.1
327.16052	71.2
369.17276	0.8
483.08508	0.8
489.21274	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	489.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.4
60.71063	0.4
61.98801	0.7
63.54182	0.4
71.01366	0.5
92.20108	0.8
96.59963	0.5
98.64214	0.4
121.08907	0.4
173.33380	0.5
203.07101	0.6
205.08597	0.5
229.04990	0.7
243.10349	0.5
251.29735	0.5
257.11755	0.7
271.06091	2.5
283.13437	3.6
301.07156	0.7
311.12909	2.2
312.13669	14.3
325.14471	1.0
326.15341	1.9
327.16025	100.0
353.43442	0.5
369.13339	3.3
489.21432	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2261
Annotation	Moralbanone
Peak:m/z	Relative Intensity
50.61922	3.2
51.07646	3.0
55.17918	3.0
59.01379	34.8
60.03692	2.9
71.01378	19.7
73.02958	4.0
83.04974	4.1
85.02943	5.9
89.02425	6.2
101.02434	13.8
104.16773	3.4
113.02448	5.8
135.04530	4.3
136.07689	4.8
152.07268	4.6
155.10818	6.0
161.04599	4.3
166.08752	3.8
171.10342	6.8
194.08200	4.8
196.06256	6.3
205.77666	3.9
206.18938	4.2
238.07109	9.2
294.12680	3.8
297.12451	5.7
298.09344	14.3
327.16061	20.2
327.21759	21.4
373.25906	5.9
453.24884	35.9
489.22147	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55445	1.0
59.01384	34.8
66.62051	1.2
71.01387	16.5
73.02952	4.7
74.51707	1.3
82.33173	1.1
84.66132	1.3
85.02946	5.2
89.02447	14.9
97.06628	1.3
101.02444	19.6
113.02492	9.7
113.03269	1.2
119.03481	2.5
161.04510	2.6
182.58827	1.2
229.85880	1.2
237.14777	1.3
267.16058	8.5
293.05756	1.2
429.21396	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	489.2498
Annotation	11-Episcutecyprin
Peak:m/z	Relative Intensity
59.01383	100.0
71.53132	1.0
73.02942	10.9
99.04508	7.3
99.08147	1.2
101.91369	1.0
107.26744	1.0
109.06549	2.0
111.81551	1.1
112.97239	1.1
117.05579	6.1
135.29262	1.1
177.09169	1.6
252.15182	1.1
254.13162	6.4
267.17462	1.9
269.15585	2.4
270.16037	1.3
285.18683	2.1
299.55701	1.1
309.96213	1.0
314.15198	2.0
325.11884	1.2
329.17471	2.5
332.16461	1.6
347.18674	13.9
389.19727	84.1
406.63721	1.1
445.22284	21.5
471.23895	40.5
489.24966	19.2
489.32196	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69320	3.0
57.51194	3.5
58.82222	2.9
59.01382	64.9
67.17686	3.7
68.19842	3.5
71.01379	55.9
78.95906	6.6
89.02439	79.5
92.19534	5.4
94.98058	5.8
101.02442	8.2
111.08143	15.3
113.02417	14.8
115.53837	3.9
119.03457	5.5
152.99559	14.4
161.04556	5.4
179.05597	26.7
197.11838	58.7
211.13373	4.4
217.68398	3.6
291.19797	4.7
309.20697	100.0
315.13901	3.9
320.86844	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	489.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39738	1.0
50.70367	1.1
58.44720	1.0
59.01386	29.5
67.52741	1.2
71.01397	13.9
73.02939	1.5
85.02951	4.7
89.02444	15.2
101.02461	11.3
113.02470	4.8
119.03488	3.1
137.02495	1.6
147.04539	2.8
155.10767	3.2
171.10284	11.1
193.08624	2.2
211.13393	12.0
218.40764	1.3
229.14429	31.0
271.85080	1.4
291.19785	11.3
309.20560	2.8
327.12186	1.8
327.21783	7.5
489.20834	6.0
489.27087	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	489.3223
Annotation	Homaline
Peak:m/z	Relative Intensity
52.92592	0.8
57.03447	7.1
59.01385	11.3
61.68809	0.8
69.03419	1.5
70.52402	1.0
72.98681	1.1
86.22636	1.1
87.04510	2.3
107.05003	1.1
109.05872	2.1
109.06589	48.9
117.29144	1.0
122.56258	0.9
142.48329	1.0
194.48790	1.3
235.03378	1.1
322.12079	2.4
333.28113	1.6
357.27975	1.5
359.65991	1.2
373.31165	33.2
385.31030	9.4
401.34296	1.6
427.32278	12.9
445.26959	1.4
445.33224	33.9
489.25287	6.2
489.32214	100.0
489.79697	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	489.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71982	1.5
58.15934	1.5
59.01385	100.0
64.89593	1.6
67.65149	1.8
79.04398	1.6
81.21957	1.6
86.20364	1.6
94.24895	1.7
101.74573	1.9
106.01578	1.8
108.45744	1.8
124.39504	1.8
175.88783	2.1
264.42526	1.9
358.99564	2.2
360.03479	2.0
511.39459	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	490.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03957	0.3
83.01422	0.5
92.20119	0.5
124.57810	0.4
137.02480	0.4
143.94638	0.3
152.04802	1.3
181.03854	2.6
182.04597	100.0
287.73474	0.4
426.53003	0.4
490.15674	32.8
500.32666	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	490.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27350	0.6
56.48063	0.6
60.79039	0.7
61.98835	100.0
64.44965	0.6
64.70667	0.7
68.79829	0.6
69.94212	0.7
82.84570	0.6
86.61980	0.8
92.20050	0.9
144.95959	0.7
281.88757	0.7
490.23041	1.0
515.99792	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	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53388	0.9
54.79708	0.9
59.01389	7.5
63.58717	1.1
71.01368	4.5
72.60210	0.9
89.02445	2.5
94.13590	1.2
97.18240	1.2
113.02459	1.2
121.02950	2.1
148.01788	1.1
152.04736	1.4
155.10797	1.8
175.70302	1.0
182.04578	2.1
183.04915	1.7
188.85449	1.1
226.02678	1.6
227.03444	1.5
243.02979	4.8
252.07520	1.1
270.01770	1.7
271.02441	18.7
285.03976	12.9
285.11197	1.1
297.11362	1.6
299.02005	31.8
299.12857	1.7
312.02817	2.0
313.03571	69.4
314.04315	6.8
327.05115	2.0
328.02460	1.7
328.05963	8.8
329.06686	4.5
343.04596	6.6
461.07333	42.1
461.18283	6.6
473.18207	4.9
476.09674	16.6
491.11954	100.0
491.19174	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	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67216	0.8
57.78716	0.7
59.01408	0.9
60.18010	0.8
81.03463	3.5
83.01399	1.2
95.05026	5.0
114.34972	0.9
123.04549	7.8
125.02454	13.4
137.06090	10.3
139.04012	1.2
155.03447	0.9
165.05545	4.6
167.03499	47.7
167.27751	0.8
169.32344	0.9
179.03499	5.6
181.05031	1.9
193.05101	1.6
197.04504	3.8
205.05037	0.9
209.04570	100.0
221.04585	5.4
234.50725	0.9
239.05623	17.2
246.63773	1.0
251.05576	3.2
281.06647	5.1
293.06747	1.3
311.07822	1.5
491.14075	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	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04850	1.1
53.71383	0.9
58.99001	1.3
59.01387	2.3
70.07609	1.3
71.01381	1.5
81.03481	1.5
81.59546	1.9
82.72132	1.4
82.92379	1.2
83.01398	2.4
86.13473	1.3
89.02425	1.4
95.05028	1.9
100.62898	1.3
103.15703	1.5
113.02470	1.5
123.04541	12.1
125.02481	9.6
137.06108	3.3
139.04005	1.8
165.01959	1.4
165.05531	5.9
167.03497	34.4
167.07144	6.9
179.03514	5.5
179.07205	1.7
181.05003	4.5
193.92058	1.4
197.04587	5.2
207.06642	2.1
209.02582	3.3
209.04562	100.0
221.04430	11.0
223.06134	2.0
233.04605	2.3
235.06183	2.5
237.04063	1.5
239.05629	16.6
251.05608	91.5
263.05487	2.4
281.06680	48.8
293.06726	2.8
311.07748	16.6
353.08701	3.2
371.09808	20.1
383.09805	2.1
401.10855	3.0
491.13910	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	491.141
Annotation	Pregnenolone-3,21-disulfate
Peak:m/z	Relative Intensity
51.86469	0.3
55.59607	0.3
59.01372	1.8
60.42828	0.3
71.01371	0.6
78.71252	0.3
81.03461	1.3
83.01386	0.3
84.30060	0.3
89.02428	0.7
101.02449	0.4
108.48409	0.3
113.16698	0.3
116.92877	1.5
123.04514	12.7
124.45219	0.3
125.02412	2.7
125.53771	0.3
137.02448	0.5
139.04054	0.6
144.51138	0.3
146.68652	0.3
149.02470	0.7
151.04050	0.5
167.03497	100.0
167.16116	0.3
175.00430	0.5
181.05196	2.3
191.03519	14.2
191.05281	0.5
209.04581	5.9
221.04517	0.5
233.04759	0.5
246.05249	0.3
254.36870	0.3
288.46783	0.3
491.14105	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17083	0.9
59.01389	0.7
74.03230	0.9
81.03454	0.9
83.01389	1.1
86.03182	1.0
87.04507	0.8
95.05021	2.9
96.91584	0.7
110.32425	0.7
123.04508	4.6
125.02448	11.6
131.03506	3.5
137.02496	0.8
137.06105	4.7
139.03958	0.8
141.05528	0.8
149.02440	1.2
155.03485	1.3
163.04085	1.1
165.05569	3.1
167.03502	55.0
167.04938	1.8
179.03505	5.9
180.04265	1.0
181.05078	2.8
191.03511	3.6
197.04549	6.4
205.05132	1.1
207.03069	0.9
209.04573	100.0
221.04623	6.4
221.56042	0.7
233.04576	1.7
239.05614	26.9
251.05695	1.4
371.09866	49.4
401.10956	14.4
450.74075	0.8
473.13071	2.9
491.14026	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	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
59.23991	0.5
61.13725	0.4
71.01384	1.2
73.02943	3.3
75.00880	2.2
77.19640	0.5
81.25560	0.5
87.00860	0.7
89.02447	13.6
103.04024	4.3
109.62555	0.5
118.06925	0.6
123.05164	0.5
131.03505	1.2
149.04556	100.0
193.96655	0.5
219.41815	0.5
246.23506	0.5
406.38989	0.7
429.39050	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	491.1773
Annotation	Sinuatol
Peak:m/z	Relative Intensity
51.94594	0.4
59.01380	5.9
71.01375	3.8
73.02940	1.4
85.02938	1.4
89.02432	4.3
95.79768	0.4
101.02448	4.7
113.02457	3.2
113.03130	0.4
119.03458	0.6
125.02492	1.5
125.52740	0.4
134.60667	0.3
137.02451	0.7
149.06123	3.3
155.42996	0.4
165.01965	0.9
166.56758	0.4
167.07130	34.1
191.05530	0.8
220.97003	0.4
223.80272	0.5
239.05728	0.5
281.06635	1.6
311.07672	0.7
326.65036	0.5
329.12436	100.0
446.14780	0.4
491.17722	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01306	5.0
65.97396	0.3
71.01293	2.9
73.02872	0.8
75.00788	0.4
76.35583	0.3
85.02884	1.3
85.85258	0.3
87.00785	0.5
89.02344	3.2
99.00804	0.5
101.02428	4.4
113.02328	1.7
115.00279	0.4
119.03436	1.3
123.04425	0.7
123.08034	0.4
125.02306	0.4
133.01382	0.6
135.02885	0.5
139.03914	0.3
149.06068	3.0
153.05444	0.4
161.02417	0.7
161.08075	0.6
167.07140	39.7
171.35173	0.4
311.11548	0.6
329.12448	100.0
355.10483	0.6
491.17990	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	491.1923
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
52.13557	0.6
53.50926	0.6
59.01384	15.5
71.01382	10.8
71.38403	0.8
73.02939	2.8
83.01379	1.6
85.02934	3.7
89.02441	6.6
96.76273	0.8
101.02441	7.2
102.04309	0.7
113.02425	3.5
121.02935	2.8
122.03699	1.0
123.04508	0.8
139.66333	0.7
153.02008	0.9
159.04526	1.4
163.15446	0.8
167.07106	5.1
212.07054	0.8
225.88916	0.7
235.55338	0.6
240.04274	0.8
255.06665	1.0
263.07135	0.9
268.07504	0.7
269.08286	2.8
270.08954	4.4
280.76797	0.7
281.08224	17.5
282.08890	1.0
283.09583	6.6
296.10550	3.0
297.11218	1.4
299.09244	3.7
300.10205	0.9
302.07904	1.2
314.11578	14.8
315.12390	6.4
329.13980	13.1
343.11838	5.0
357.13440	1.3
434.72269	0.7
455.19296	1.5
461.14450	2.8
476.16785	8.4
491.19275	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	491.1927
Annotation	Schizandriside
Peak:m/z	Relative Intensity
53.51691	2.5
56.41288	2.3
59.01104	4.8
59.01385	100.0
70.15522	2.4
71.01377	63.4
82.79211	2.5
85.02940	11.1
89.02444	95.6
90.54665	3.2
97.06604	3.7
101.02425	11.3
113.02448	13.7
119.03458	3.3
121.02985	5.3
122.03746	4.0
123.04522	15.3
131.03503	13.6
136.05377	3.2
149.04532	19.8
153.05638	11.2
159.04529	4.1
160.05284	19.4
172.05312	6.5
173.06012	5.6
173.11859	3.6
175.03960	4.0
175.07634	10.5
181.12331	3.2
182.04585	17.1
183.04897	6.4
187.07640	5.6
189.05583	6.9
190.06361	39.8
205.08679	25.0
269.17502	3.2
281.08221	3.2
296.10574	29.4
311.12863	17.6
313.03732	4.2
326.11609	4.4
326.50504	3.1
329.14026	3.9
337.09195	6.1
341.13977	97.6
373.18726	6.7
491.12329	6.2
491.20203	50.8
491.29666	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	491.1927
Annotation	cis-2,3-Dihydro-2-(4'-alpha-L-rhamnopyranosyloxy-3'-methoxyphenyl)-3-hydroxymethyl-7-hydroxy-5-benzofuranpropanol
Peak:m/z	Relative Intensity
50.48800	0.4
50.77533	0.4
59.01384	0.9
73.04294	0.5
78.60885	0.6
78.65053	0.6
101.02416	0.7
121.02958	0.6
122.40546	0.6
167.07117	1.4
175.93236	0.6
178.06233	0.8
207.94962	0.6
269.08203	2.6
283.09744	1.0
284.10498	2.2
295.09738	1.0
296.10339	4.3
297.11349	1.1
299.09341	0.8
299.12869	2.3
300.10040	47.4
311.09195	3.4
312.10068	24.1
314.11719	0.6
315.12402	100.0
327.12341	16.7
345.13605	5.8
406.38742	0.6
491.19424	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	491.1926
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.05384	0.7
56.63464	0.8
59.01387	23.2
64.02052	0.8
71.01380	16.0
73.02943	1.2
85.02949	3.6
89.02441	12.7
93.30579	0.8
97.36222	0.9
109.02943	5.7
112.92336	0.8
123.04524	1.8
159.04515	4.8
173.06061	3.7
187.07631	3.7
189.05640	1.7
191.07208	1.5
203.07103	1.2
231.35118	1.1
241.05084	2.1
268.07373	3.3
281.08112	1.8
295.09787	4.6
296.10455	2.2
311.09366	6.9
311.12491	0.9
313.10852	8.8
325.10883	1.0
326.11618	11.0
329.10266	2.1
341.13986	5.1
344.12659	40.9
359.10522	1.3
359.15057	49.9
491.19281	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	491.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25927	0.3
59.01379	3.8
60.13003	0.3
71.01359	0.6
73.02916	0.5
80.54652	0.3
89.02438	0.5
101.02416	0.6
110.26374	0.4
131.13055	0.4
136.05284	0.8
163.03897	0.4
165.09169	0.7
191.10800	0.9
222.55737	0.4
283.17072	0.9
299.12949	0.4
311.16528	8.6
328.16852	0.4
329.17596	100.0
345.17108	0.5
366.66000	0.4
373.53217	0.4
491.23019	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.229
Annotation	Scupolin J
Peak:m/z	Relative Intensity
52.67603	0.4
56.64547	0.4
59.01386	9.5
61.98822	0.5
71.01392	6.1
72.99322	0.4
73.02923	0.5
75.00870	5.7
84.14369	0.4
85.02936	0.9
89.02449	5.8
95.01354	0.4
98.60896	0.5
100.09916	0.4
101.02440	4.8
113.02419	2.0
119.48766	0.4
143.62346	0.5
206.61038	0.5
242.09534	0.6
257.11871	0.8
295.13309	0.6
296.14160	0.7
311.16525	30.0
329.17606	9.7
343.44312	0.5
491.22876	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	491.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53234	0.5
60.23098	0.6
60.83907	0.6
79.63357	0.6
121.06533	0.7
131.09976	0.8
137.96649	0.6
145.88887	0.8
153.21318	0.7
153.49831	0.6
157.43919	0.6
159.17456	0.7
187.07700	5.2
192.88583	0.7
203.17247	0.7
218.32501	0.6
241.12314	9.3
269.15433	1.3
286.56680	0.8
311.16553	100.0
323.05161	0.7
329.17590	63.1
350.98322	0.6
460.32639	0.9
476.80362	0.8
491.22885	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.265
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.78717	0.7
57.93039	0.7
58.59964	0.6
66.31172	0.6
93.03475	1.8
95.71729	0.8
104.95335	0.7
105.03522	0.9
116.99492	0.8
121.02979	2.9
122.71925	0.9
123.04558	0.8
133.02934	4.8
135.41138	0.7
149.02466	4.1
150.03224	1.5
151.03992	1.4
177.01935	100.0
195.02988	1.6
247.57477	1.1
258.95221	0.8
279.66696	0.7
295.22906	1.1
313.23883	12.6
365.22162	0.8
473.25577	1.1
491.26559	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60496	0.9
53.18110	1.1
56.55153	1.5
56.66218	1.3
58.07912	1.1
59.01383	3.0
71.02481	1.2
115.08754	16.5
118.06628	2.4
125.07237	1.6
126.05601	1.9
141.06740	2.4
146.06102	15.8
150.09425	1.1
170.09355	2.8
173.07187	1.6
179.11928	5.9
194.13055	1.4
194.98296	1.3
199.74538	1.2
200.10703	1.8
214.15593	5.8
227.11913	5.3
228.10217	1.8
245.12923	2.7
262.15536	2.1
281.46576	1.4
326.18860	8.9
437.15402	1.2
491.26691	100.0
491.33484	7.6
506.59409	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91906	0.8
59.01384	21.2
60.53308	0.7
61.98835	52.4
65.31152	0.8
71.01384	10.7
73.02932	2.0
75.00835	0.8
75.39380	0.7
83.01373	1.4
85.02950	5.5
89.02448	6.2
99.04478	0.9
101.02448	13.4
107.89129	0.9
111.00896	1.5
113.02429	6.9
116.59595	0.8
118.98145	0.8
119.03514	1.3
130.18008	1.0
134.77997	1.0
137.02415	1.0
166.82953	0.9
171.10226	1.8
181.08736	3.4
211.13318	2.0
229.14354	4.9
299.16479	5.6
311.16513	6.9
311.22223	8.8
313.03195	0.9
314.04370	13.9
321.69681	0.9
329.06665	10.2
329.13998	1.4
329.17578	21.8
329.23373	37.1
329.27258	1.4
473.27618	1.3
491.11865	2.2
491.22601	26.3
491.28619	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	491.3018
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
50.66198	0.6
54.71377	0.7
57.03449	1.1
59.01390	1.2
60.97890	0.7
71.01379	1.4
71.04967	0.9
78.06746	0.8
85.02970	7.8
85.06578	3.3
97.06590	39.3
97.07220	1.4
115.00340	3.6
125.06113	1.2
129.09209	6.6
173.11821	23.1
175.02461	5.0
176.08324	0.8
227.14439	8.6
231.13869	4.1
235.49870	0.8
245.15451	25.3
260.35379	0.8
273.14999	1.5
276.16003	0.8
279.31607	0.9
281.15430	5.0
299.16577	15.2
317.17703	6.3
325.21658	1.2
327.12656	0.9
401.26834	1.7
403.24805	1.5
405.26328	3.4
419.27997	6.6
429.17953	0.8
455.28021	5.0
457.27081	0.9
473.29135	20.8
491.30197	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	491.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43599	0.3
59.01375	4.1
62.73517	0.3
66.35468	0.3
71.01373	2.1
73.02948	0.6
73.99821	0.3
85.02945	0.5
89.02423	2.2
101.02454	3.8
110.86475	0.3
113.02431	1.5
119.03484	0.6
125.02601	0.3
131.85248	0.3
139.67397	0.3
145.02910	0.6
161.04523	0.7
235.08232	1.8
253.09290	8.8
255.23302	100.0
306.39270	0.3
347.09979	0.3
491.31766	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.46084	1.4
65.92728	1.5
70.49126	1.7
89.42882	1.5
92.04635	1.5
96.59432	2.0
101.02425	3.4
104.01653	1.5
202.91110	1.8
241.05284	2.2
253.09326	6.2
255.23296	100.0
491.30350	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	491.3387
Annotation	Phlomishexaol A
Peak:m/z	Relative Intensity
53.05418	1.9
59.01385	5.0
67.48007	2.3
68.13422	2.2
81.66199	2.3
85.02950	21.5
92.19430	4.7
108.27688	2.5
110.02296	2.3
127.11278	5.1
141.12848	2.8
166.10390	2.3
171.13907	25.9
211.14870	3.3
231.13802	2.6
267.14011	2.9
283.16946	12.5
285.14792	4.2
301.18146	24.5
307.49179	2.3
319.19107	24.4
444.90964	2.5
491.27527	4.1
491.34042	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	492.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88417	1.1
52.90993	1.2
59.01393	2.4
60.93802	1.3
71.01395	1.7
72.27715	1.3
73.02960	1.7
79.29064	1.6
80.15879	1.4
81.94991	1.4
87.63836	1.3
89.02417	2.1
92.19515	2.4
101.02418	3.2
116.86993	1.5
122.96690	1.6
132.43402	1.6
137.09714	15.1
155.10776	100.0
167.38411	1.5
169.12317	4.8
178.63689	1.4
181.08691	7.9
189.52567	1.5
195.41617	1.4
199.09775	57.6
213.11266	3.3
223.09834	1.6
241.10806	22.5
271.11838	3.2
288.76682	1.5
301.12918	17.4
312.16895	2.1
330.17859	5.8
361.15036	50.4
492.22629	2.5
492.28610	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	493.0779
Annotation	11-O-Demethyl-7-methoxypradinone II
Peak:m/z	Relative Intensity
60.53049	1.5
60.95547	1.3
65.00319	1.6
66.15051	1.5
68.99816	2.2
74.24921	1.6
74.77245	1.6
92.99812	2.0
320.06555	2.0
322.04739	7.3
337.07343	15.8
346.04691	2.3
361.07184	23.3
362.04443	13.3
364.05927	2.4
388.05746	2.2
389.06815	3.6
404.05283	2.9
415.04617	1.8
417.06223	2.7
432.04730	3.5
443.04242	2.7
449.09116	2.0
473.05179	8.8
475.06720	92.0
493.07800	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	493.0782
Annotation	11-O-Demethyl-7-methoxypradinone II
Peak:m/z	Relative Intensity
54.26405	0.9
59.01381	8.6
59.79455	0.9
68.99827	2.5
86.58732	1.1
89.38812	1.1
108.21868	1.2
111.00851	2.3
128.87866	1.1
165.01950	2.4
201.20976	1.2
201.85258	1.3
296.06873	2.2
298.04749	2.7
299.01871	2.3
300.02707	1.9
303.06680	2.5
312.60208	1.3
313.03549	4.4
313.18091	2.3
320.06876	4.2
321.07721	1.5
322.04932	9.0
323.05573	2.6
328.05914	1.1
329.17734	1.2
331.19083	29.1
335.09326	1.5
337.07184	11.4
345.07620	2.3
347.05573	4.5
349.07220	2.6
362.08115	1.6
364.06006	1.8
374.04156	6.6
378.07416	6.6
389.06702	23.3
402.03653	7.1
406.06815	1.2
415.04474	6.8
417.06183	41.2
421.09430	1.8
433.05646	4.9
434.06796	2.2
449.08804	100.0
493.06512	9.3
493.12817	1.2
493.24048	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	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71351	1.0
60.77863	1.0
67.79491	1.2
81.19819	1.0
84.70632	1.1
151.00330	7.2
178.99854	2.6
259.02432	4.4
271.02417	10.8
287.01926	13.7
301.03491	6.0
315.01474	83.4
316.02283	16.6
330.03830	73.0
331.04575	28.4
372.71210	1.3
377.91086	1.4
391.16098	1.3
493.09912	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	493.1004
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
59.01366	1.3
70.42223	1.0
71.01392	1.3
75.93127	1.2
81.34664	1.2
85.02938	2.6
85.14020	1.3
88.92157	1.1
89.02430	1.8
97.06587	10.2
124.49835	1.1
137.02412	2.2
142.18687	1.1
165.01930	5.0
166.06364	7.2
173.11816	6.8
181.08748	2.1
217.32312	1.2
271.02438	1.3
284.03278	1.9
285.04056	8.1
287.01950	15.5
315.01492	77.3
316.02267	2.1
319.18964	1.5
330.03821	100.0
331.04486	9.6
493.09909	92.5
493.31470	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	493.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86084	0.7
57.42812	0.7
59.01394	6.4
60.93582	0.7
61.98834	100.0
64.37809	0.9
71.01385	3.2
73.02952	1.2
75.00868	1.0
80.61779	0.8
85.01258	0.6
85.02950	1.0
89.02436	1.8
89.77673	0.7
92.35633	0.7
97.06577	2.9
99.00798	0.7
101.02410	2.8
113.02435	3.1
119.03496	1.3
121.02945	92.0
123.04510	4.7
129.01927	1.5
137.02464	2.7
153.05574	5.0
167.07141	1.1
173.11760	1.4
179.03459	1.6
181.05035	1.1
184.60594	0.8
299.07675	3.3
315.04065	1.0
331.15625	1.3
361.16556	5.0
433.24268	1.0
457.20795	0.8
493.12845	2.5
493.21515	5.2
493.31754	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	493.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01423	4.1
59.01386	67.1
71.01382	54.8
71.05011	4.1
71.84918	4.6
73.40630	5.0
77.04016	4.9
85.02940	10.6
89.02435	56.0
97.06576	27.3
99.00874	8.5
101.02476	37.0
109.03001	6.6
111.12415	4.5
111.17362	5.1
113.02467	10.0
121.03012	6.4
124.03722	4.4
125.02451	18.1
134.76085	5.3
137.06100	5.4
152.90471	4.7
161.04559	5.8
165.05544	9.2
173.11809	18.8
179.05589	5.1
181.05124	21.1
226.04802	8.5
293.08829	44.3
319.18942	6.3
331.08377	4.7
361.16550	28.9
457.17191	11.6
493.14529	97.5
493.22427	100.0
493.31522	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49491	0.5
57.14438	0.6
59.01379	0.9
68.87971	0.8
85.02949	4.3
91.37495	0.6
135.03012	0.8
172.61949	0.7
191.05618	100.0
309.01859	0.7
346.58868	0.7
490.13797	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	493.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.2
62.40187	0.9
69.23059	0.9
71.01385	8.9
73.02917	1.8
74.96967	0.9
75.00880	10.8
81.03458	1.6
81.53915	1.0
82.61465	0.9
83.01385	6.1
85.02939	2.5
88.98800	1.6
89.02424	6.8
97.66444	1.1
99.04517	11.0
101.02454	8.7
109.82323	1.1
113.02463	7.4
115.04025	1.7
119.03428	1.1
119.45211	1.0
123.04501	4.3
125.02436	6.3
125.06078	4.4
129.54889	1.0
137.02498	1.8
138.01988	1.1
145.05099	1.0
146.50539	1.1
151.03967	2.4
151.85440	1.0
167.03481	8.7
168.03844	2.3
169.03996	1.1
179.03494	4.0
181.05052	3.9
187.06125	1.0
193.05077	34.1
195.10103	1.0
203.09322	1.4
235.06062	2.3
332.89072	1.0
367.12015	1.3
433.13358	1.2
451.14804	7.7
493.15607	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	493.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91473	1.2
59.01385	100.0
60.43538	1.5
61.98779	1.5
65.67209	1.3
71.01391	14.2
73.02937	5.8
85.02969	6.0
88.50033	1.4
89.02448	12.1
92.88141	1.5
93.31975	1.3
101.02444	14.6
105.53999	1.5
113.02428	6.0
119.03512	1.6
121.02981	1.9
127.89554	1.5
152.04773	9.7
161.04538	3.5
167.07153	17.6
169.07027	1.4
284.71118	1.4
331.19101	2.6
386.18008	1.6
428.31525	1.7
433.22699	2.0
447.22455	53.2
493.24426	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.7
71.01389	13.7
101.02452	9.5
133.01398	8.7
240.50127	6.6
268.08237	7.3
311.16730	8.1
312.16843	30.5
313.17194	61.7
313.20319	8.0
318.18942	7.4
329.17654	9.6
331.18289	36.9
447.22400	39.9
455.87634	7.3
493.17862	100.0
493.23865	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.1
63.58460	0.8
71.01375	8.8
89.02444	14.3
94.51048	0.8
113.02415	1.2
121.02911	3.6
125.02467	1.1
131.03471	1.5
137.02388	1.5
145.34334	0.9
148.07071	0.9
149.04599	7.2
165.01909	5.7
166.06348	62.5
181.08704	44.6
193.01421	1.7
225.29767	0.9
259.02496	1.0
285.03925	6.0
287.02011	16.8
311.11359	1.0
313.18158	2.0
315.01486	75.6
316.02341	1.5
330.03827	92.7
331.04642	10.3
331.19376	1.1
493.09903	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	493.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.2
68.55588	1.7
71.01390	11.6
73.02956	2.0
79.54363	1.8
85.02953	9.6
85.54177	1.7
89.02444	10.6
92.20071	2.4
97.06590	10.1
121.02935	3.5
122.03725	11.8
134.53905	1.8
136.05350	3.1
147.04515	2.5
165.05573	31.8
173.11842	10.2
176.08420	3.0
179.07124	4.1
243.13930	2.5
298.12186	3.1
301.18192	2.8
313.14496	8.7
315.12436	2.9
319.19281	4.0
328.13242	3.6
343.15613	9.0
346.14258	16.4
348.73535	1.9
361.16574	84.5
465.45505	2.0
493.08829	3.3
493.20886	100.0
493.31635	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88666	1.4
59.01382	100.0
60.57504	1.2
71.01382	26.3
73.02944	32.5
85.02937	9.6
87.00865	3.8
87.04480	1.7
89.02435	37.7
92.19402	5.1
99.00864	3.3
101.02436	44.7
103.04016	14.7
113.02452	8.1
115.03988	11.2
119.03497	7.2
121.02956	10.6
125.02464	6.2
131.03484	12.9
133.63921	1.5
135.04520	3.1
143.03513	19.3
145.05045	3.9
150.03149	1.7
154.86967	1.7
163.06129	57.0
163.07553	1.8
205.07205	16.4
244.46182	1.6
265.09348	7.0
293.08804	9.0
433.20767	41.4
457.17218	5.9
493.14703	18.7
493.23367	28.2
493.31305	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	493.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54701	0.3
56.28544	0.3
64.01878	0.4
70.70735	0.3
79.45294	0.3
104.63306	0.4
138.58669	0.4
146.69310	0.4
162.46063	0.4
183.25688	0.4
191.05621	0.4
257.32077	0.4
313.18106	100.0
317.58023	0.5
330.18372	0.8
331.19159	50.9
345.36539	0.4
493.24445	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	493.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26905	0.6
59.01383	13.9
71.01378	7.4
85.02923	3.1
89.02448	10.5
101.02436	3.3
113.02414	1.3
113.45438	0.7
121.02950	1.5
126.82102	0.6
131.03517	1.4
137.02528	1.1
149.04543	6.3
149.89876	0.8
164.01146	1.0
165.01837	1.5
166.06348	40.8
167.07155	7.1
181.08719	31.9
193.01573	0.8
241.12360	15.6
285.03986	0.9
287.02008	5.3
313.18130	100.0
315.01523	27.4
316.05945	1.2
330.03824	28.3
331.04532	4.4
331.08282	4.7
331.19089	14.8
331.24805	1.2
375.27502	1.7
392.17465	0.8
463.82492	0.7
493.09732	29.2
493.24570	34.2
493.30286	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	493.2447
Annotation	Sordaricin-1-glucose ester
Peak:m/z	Relative Intensity
56.28136	0.4
59.01381	1.0
69.32616	0.6
93.71223	0.6
185.45445	0.6
194.72482	0.6
214.64986	0.6
313.18130	100.0
330.18362	2.3
331.19177	62.8
331.25266	2.8
493.24405	56.9
493.30106	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	493.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64579	0.2
59.01381	0.7
78.25584	0.2
85.02946	0.4
113.02461	0.3
146.19040	0.3
151.00371	0.5
191.05634	6.5
214.10043	0.3
243.47203	0.3
245.87038	0.3
301.03534	2.5
313.18112	100.0
330.18362	1.6
331.19168	49.9
335.75262	0.3
367.69101	0.3
375.27585	1.2
474.57568	0.3
493.24445	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	493.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68612	0.7
55.49571	0.8
58.23623	0.8
59.01106	1.2
59.01387	31.4
71.01383	18.5
73.02939	1.8
83.01383	2.0
85.02941	4.7
89.02451	16.0
92.20072	1.5
95.01276	0.9
99.00874	1.3
99.08153	1.2
101.02440	17.9
111.78151	0.9
113.02451	7.5
119.03475	4.3
129.09245	2.1
143.10753	5.2
143.98981	0.9
147.08194	1.0
151.43114	0.9
167.14342	1.2
247.73024	0.8
267.23254	3.6
285.24152	1.3
287.20105	5.5
313.18018	5.0
313.23871	25.7
317.17300	1.2
329.23242	2.0
331.15356	1.7
331.19116	32.8
331.24847	22.1
375.27484	17.9
420.49292	0.9
447.22635	1.3
475.29233	1.1
493.24127	31.3
493.30203	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06154	1.1
57.03468	1.0
59.01382	23.7
66.25315	1.4
71.01377	14.1
73.02942	6.4
75.00873	1.5
75.41949	1.2
79.84860	0.9
83.01389	1.6
85.02958	4.3
89.02438	7.6
99.00935	1.4
101.02459	12.6
113.02440	6.4
235.34015	1.1
313.14496	2.1
313.18057	29.1
313.23569	2.8
329.23276	1.9
331.15729	1.6
331.19217	11.7
331.24933	21.4
351.41473	1.1
357.26398	4.6
373.20212	1.4
373.26028	2.0
375.27521	78.2
447.22424	12.2
475.29248	5.0
493.24237	93.2
493.30313	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
59.01112	0.8
59.01385	18.7
71.01379	9.2
73.02950	4.5
75.00857	1.2
85.02949	3.4
87.00872	1.3
89.02440	8.8
101.02444	12.1
103.36414	0.8
110.67559	0.9
113.02436	4.4
119.03461	3.0
137.09647	1.4
155.10806	8.7
156.11067	7.4
181.08717	1.0
199.09764	3.5
200.10120	3.1
237.27113	0.9
302.13254	1.1
313.18121	100.0
313.23471	10.2
314.60074	0.9
330.18225	1.8
331.19138	77.3
331.24881	38.9
331.28833	1.5
361.15259	3.4
362.15356	4.8
375.27325	1.4
389.96051	0.7
475.29361	4.0
493.24231	79.8
493.30331	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98293	0.5
54.60345	0.4
55.01895	0.7
57.11978	0.4
59.01386	14.4
63.65399	0.4
65.02997	0.5
65.88463	0.5
69.94682	0.5
71.01377	8.2
73.02945	2.6
83.01379	0.8
85.02953	3.8
89.02443	5.6
95.01405	0.7
99.00888	1.0
101.02431	8.7
101.66109	0.5
113.02459	3.8
113.03101	0.6
119.03469	1.2
144.74164	0.5
151.56424	0.5
160.54701	0.5
178.02760	0.6
194.16081	0.5
214.99992	0.6
231.13939	2.7
241.12897	0.5
248.61160	0.6
255.68126	0.5
313.14728	1.4
313.18167	2.2
313.23871	10.2
324.64401	0.5
329.23242	1.0
331.15482	8.5
331.19138	7.0
331.24915	45.3
348.35010	0.6
429.15454	0.5
457.82794	0.6
475.28830	1.3
490.63458	0.6
493.24365	5.7
493.30258	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	493.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68198	1.4
55.68365	1.4
55.99723	1.6
76.12630	1.4
80.15468	1.4
81.03452	2.8
83.05026	1.7
103.98260	1.7
125.02444	20.8
170.63898	1.6
179.07126	7.1
226.75829	1.7
239.76746	1.7
322.96347	1.7
333.24191	1.8
351.25366	10.9
395.24414	100.0
449.29138	38.4
493.31696	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3173
Annotation	Makisterone B
Peak:m/z	Relative Intensity
57.03441	2.7
59.01387	9.2
61.98822	0.7
62.28098	0.5
64.31358	0.5
71.01385	3.9
71.05019	2.3
73.02923	2.0
85.02953	12.4
85.06586	5.0
88.98822	0.7
89.02425	2.1
92.19422	0.7
93.19588	0.4
97.06584	55.0
101.02411	1.1
101.09724	0.5
113.02428	1.2
115.07667	0.7
122.03708	0.6
125.06065	2.2
129.09233	5.7
137.09685	1.0
138.05620	2.1
148.04062	4.4
155.10805	2.8
165.05527	2.2
166.05086	12.5
166.06355	1.0
167.07152	4.2
167.99236	0.6
173.11824	46.5
181.08722	3.7
197.11885	0.6
211.15015	0.9
219.10455	0.5
231.14020	1.1
233.15414	1.0
247.17067	1.2
250.12067	1.0
255.77956	0.6
265.15884	0.7
267.13934	3.0
273.14841	2.0
283.17035	3.1
285.14966	3.4
291.21262	0.7
301.18127	10.2
319.15698	0.9
319.19156	14.8
329.07571	0.5
329.12234	0.5
331.13077	2.9
382.67233	0.6
399.25314	2.2
433.24469	1.0
437.62759	0.6
439.82538	0.6
455.19226	0.5
457.30264	0.7
467.56070	0.5
473.20871	0.6
493.20038	7.2
493.31763	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	493.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57579	1.1
59.01384	100.0
63.21367	0.9
96.55679	1.1
111.00873	1.2
125.51101	1.2
128.00136	1.2
149.02386	1.6
152.75443	1.1
164.04749	1.5
177.01826	1.1
190.02715	9.4
205.05083	14.4
275.92993	1.2
287.22235	2.4
358.56915	1.2
463.23187	1.9
478.25574	4.9
493.27896	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	493.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51930	1.2
52.11128	1.3
58.07114	1.3
59.01386	100.0
97.83900	1.5
104.78426	1.2
125.02454	2.6
177.01924	6.4
178.02374	2.3
179.02452	2.2
205.04985	1.7
211.13391	1.8
213.57520	1.5
218.00877	1.5
235.57336	1.4
238.97626	1.6
251.88254	1.4
315.24039	1.7
316.54260	1.7
319.22693	2.6
351.25281	2.4
390.93423	1.7
395.24438	17.7
449.29187	5.9
475.27298	1.9
493.27206	10.4
493.32877	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	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.6
61.98835	100.0
62.77083	0.6
66.25160	0.6
82.11295	0.6
85.02939	1.0
97.06589	5.1
97.65113	0.6
101.83414	0.7
173.11826	1.4
174.12135	1.2
235.02110	0.7
239.33440	0.7
268.03796	13.3
269.01968	0.9
269.04492	6.4
270.69852	0.6
293.33682	0.8
320.19342	0.8
358.27496	0.6
386.97580	0.7
431.09869	21.1
467.13687	0.7
494.32101	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	495.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
70.07323	1.0
93.03473	2.1
96.60169	1.1
108.72057	1.1
109.02921	2.6
117.03497	1.1
125.02451	15.8
126.51425	0.9
135.04500	1.9
137.02444	25.2
151.00351	13.5
151.04031	2.2
157.06598	1.2
159.04561	1.6
164.01143	1.9
173.06068	2.3
175.04008	1.6
177.01956	1.3
177.05496	1.7
178.99896	7.5
179.03461	8.0
181.81897	1.0
189.05614	4.2
193.05031	6.0
199.04007	2.1
201.05571	5.8
203.03488	5.8
205.01427	7.4
216.04245	7.1
217.05046	17.3
221.04543	28.4
227.03470	5.6
229.05013	1.1
241.05017	1.2
244.03688	2.0
245.04561	42.0
247.02470	42.2
255.18576	1.1
261.04135	1.2
269.04648	1.1
271.02505	7.3
275.62622	1.1
289.03543	100.0
303.05148	1.3
331.04614	18.8
333.02185	1.1
430.54782	1.2
451.08905	4.7
495.07791	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	495.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19685	0.4
59.01371	0.8
61.98817	0.5
64.72014	0.5
68.85632	0.6
71.01369	0.8
71.05034	1.3
85.02991	0.6
95.05036	1.0
95.49338	0.6
97.02950	4.9
109.40592	0.5
113.02457	0.5
123.04482	0.7
135.04684	0.7
137.02469	2.4
139.04016	100.0
149.06088	1.4
163.04021	1.2
165.01930	16.8
165.05597	0.7
167.03513	1.0
167.07135	3.3
289.07214	3.1
290.32108	0.7
327.07233	6.8
333.13489	2.2
345.08276	27.0
419.23154	0.7
451.12335	3.2
451.99579	0.6
495.11328	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	495.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73576	0.6
56.55712	0.5
58.31044	0.6
71.01396	1.0
71.05017	1.3
74.59506	0.5
83.01429	0.7
92.19350	1.5
97.02955	3.2
113.02456	0.6
117.42134	0.6
121.02927	0.6
123.04478	0.7
137.02455	3.0
137.82239	0.6
139.04016	100.0
140.24828	0.6
149.06061	1.4
153.05627	0.7
158.22546	0.6
163.04013	3.1
165.01936	21.2
167.03513	1.4
167.07208	1.0
179.07172	0.9
193.83022	0.6
289.07211	3.4
300.02768	0.9
322.44092	0.6
327.07150	6.2
333.13568	1.2
345.08292	26.0
451.12558	2.6
495.11661	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	495.1509
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
58.00610	2.0
59.01385	21.3
71.01374	18.7
73.02951	3.9
83.01343	2.3
84.89421	1.9
85.02946	9.1
87.00838	3.2
89.02463	17.9
89.30020	2.2
93.03448	18.6
95.01434	1.8
101.02434	28.0
102.03668	2.0
113.02457	14.1
119.03523	3.7
119.04824	1.7
123.04513	4.4
125.02412	3.3
134.03737	8.2
135.04523	21.0
136.01761	1.9
137.02448	95.2
138.03305	3.1
139.04065	1.8
147.04507	4.1
149.02432	9.7
150.03214	40.9
151.03964	9.3
152.01057	3.0
153.01927	3.2
153.05591	3.1
153.55450	1.7
161.04605	3.9
162.03166	4.7
164.04788	9.1
165.05559	44.0
167.03468	22.7
167.07149	8.8
179.03476	8.3
179.05554	3.6
195.06589	9.0
281.06622	46.1
311.07730	14.0
333.09818	7.6
447.12997	100.0
477.14105	16.5
495.14987	25.3
495.25192	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	495.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
64.35502	1.9
71.01372	2.9
87.09472	1.7
89.02427	3.4
91.18409	2.0
93.03455	22.9
97.47546	1.8
98.62643	1.7
101.02448	3.7
113.02430	4.1
119.04997	3.4
119.24998	1.8
119.69553	2.0
123.04520	2.2
125.02425	7.9
127.37731	1.8
135.04578	2.8
136.01625	8.0
137.02446	100.0
145.02930	28.9
146.03754	2.5
147.04546	7.3
151.00346	2.4
151.03992	11.3
152.01132	8.6
157.53075	1.9
161.02408	15.2
162.03215	34.5
163.04028	8.5
167.03481	2.2
177.05545	3.4
178.99852	9.7
179.03505	77.8
180.00592	2.5
185.64674	2.1
195.06618	3.3
209.04581	11.3
239.05652	42.3
299.07675	13.2
300.51212	1.8
326.42514	2.1
333.06030	13.4
390.82800	2.2
477.14053	62.7
495.10831	11.8
495.15021	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	495.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04583	2.8
53.94709	2.2
59.01102	4.1
59.01390	100.0
60.28204	2.2
61.46314	2.5
63.15536	2.5
70.04106	2.2
71.01381	19.9
73.02918	3.4
76.52623	2.9
83.93410	2.7
85.02922	4.3
89.02447	10.4
92.19504	3.9
95.78031	2.7
101.02457	11.3
113.02412	3.8
125.46074	2.8
137.02449	12.9
150.03218	3.9
165.05562	21.1
166.06419	4.3
195.06577	3.7
233.26276	2.9
333.20737	4.4
411.16702	3.4
495.16107	25.1
495.26254	44.2
495.32501	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	495.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84038	1.4
59.01382	19.7
71.01381	12.2
89.02435	13.9
108.02225	2.0
123.04606	2.0
131.03595	1.9
135.04526	10.0
136.16464	1.7
146.03746	43.5
149.04575	4.2
161.02432	2.3
161.06088	100.0
162.03185	2.4
165.01941	3.9
166.06337	27.8
167.07143	80.1
177.05539	2.9
193.08794	4.1
221.08223	17.6
271.06033	2.3
312.10034	3.3
327.12405	90.7
423.07138	2.4
495.09125	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	495.2088
Annotation	Selexipag
Peak:m/z	Relative Intensity
55.58604	1.3
57.03439	1.4
59.01385	25.2
61.75725	1.5
69.34978	1.3
71.01383	14.8
73.02914	2.8
85.02945	2.0
87.00849	1.5
89.02441	24.5
90.11676	1.3
101.02441	20.5
109.86921	1.7
113.02393	8.7
114.03484	1.6
119.03506	11.3
137.09708	22.3
151.06107	16.3
155.10783	59.1
161.06026	5.6
167.03487	3.5
167.07126	1.7
169.12222	3.5
179.05667	1.9
179.10693	1.9
181.08684	1.6
181.99126	1.4
199.09769	22.8
223.09630	7.8
241.10791	1.6
250.35785	1.7
271.18970	1.6
277.54092	1.3
313.11273	6.9
326.60004	1.4
327.12125	2.8
480.26486	1.7
495.20630	100.0
503.54611	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
59.01386	38.1
64.21813	1.0
71.01384	34.2
72.54359	1.1
72.74018	1.4
72.99305	1.3
73.02957	16.7
83.01385	10.1
85.02943	17.6
87.00890	1.4
89.02450	5.3
95.01383	1.7
97.33865	1.4
99.00874	6.0
101.01804	1.8
101.02447	31.8
103.04016	1.6
113.02448	15.9
115.04062	1.5
125.02468	2.9
151.82565	1.3
159.02994	2.0
161.04555	8.1
289.16605	9.6
351.88406	1.4
378.38760	1.5
435.22379	100.0
438.77322	1.4
495.25784	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26599	0.6
54.35064	0.6
56.91110	0.6
59.01385	25.4
71.01385	19.5
72.99322	0.6
73.02950	8.0
79.32339	0.7
80.40356	0.6
85.02943	3.6
86.46101	0.7
89.01254	0.7
89.02440	36.1
99.00884	28.3
101.02447	17.3
113.02432	5.9
119.03489	1.6
125.02448	0.7
131.03487	4.8
149.04521	4.3
160.92545	0.7
161.04572	1.1
181.64034	0.7
183.13815	2.9
191.05637	8.5
201.15054	2.4
225.19150	0.6
234.43884	0.7
281.90277	0.7
293.05811	0.7
333.20831	1.4
340.38620	0.8
389.46375	0.7
435.22064	1.1
492.96042	0.7
495.24725	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	495.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.0
61.98796	0.5
71.01378	6.5
72.99298	0.8
73.02956	0.8
76.16574	0.5
78.95901	3.0
85.02940	2.7
89.02453	6.1
101.02448	6.6
113.02441	4.3
119.03481	2.9
123.04504	1.1
135.04521	0.8
137.02435	4.8
161.02510	0.5
161.04510	1.0
167.03471	3.2
167.07103	1.0
180.73120	0.5
181.08710	0.6
189.02036	0.6
191.03540	2.5
315.19662	100.0
333.20718	53.4
333.26501	0.8
341.06769	1.3
359.87485	0.6
451.26822	0.6
495.20343	3.3
495.26001	68.5
495.31866	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	495.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12844	1.9
59.01387	100.0
72.51216	1.9
103.18090	1.9
112.21891	2.1
129.43068	2.0
136.83748	2.0
139.12029	2.2
143.57368	2.1
231.11511	2.2
231.13795	3.7
239.23314	1.8
257.15652	2.0
280.60461	1.9
514.18054	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	495.2965
Annotation	Achyranthesterone A
Peak:m/z	Relative Intensity
50.54513	0.5
51.27237	0.5
57.03448	1.5
59.01390	6.0
64.09932	0.6
71.01373	5.7
73.02946	13.2
80.10268	0.7
80.20487	0.5
83.05027	30.6
85.02950	12.4
85.68845	0.6
87.04506	5.7
89.02459	1.6
95.04998	3.2
97.02993	0.7
97.06613	1.5
99.04523	2.3
101.02431	3.4
101.06082	4.3
109.61678	0.6
113.02461	2.7
113.06081	8.5
119.03523	0.7
121.06618	1.4
125.06085	4.6
131.06209	0.7
131.07138	2.8
137.02530	0.8
137.06136	1.1
139.04030	6.9
139.07655	9.2
143.07159	4.8
155.10751	3.3
157.08673	1.6
165.01926	1.3
167.07123	1.1
175.09763	55.3
231.14131	0.7
267.13950	1.1
273.15051	1.4
283.17084	2.6
287.02066	0.9
301.18033	5.1
315.01538	3.3
319.19119	9.1
332.01816	5.4
333.02454	0.8
333.13742	0.9
340.38571	0.7
345.08179	0.8
361.20337	2.4
385.24030	0.9
393.23721	0.7
421.17386	3.0
459.18707	1.4
477.28806	1.0
495.07968	9.8
495.22116	6.6
495.29739	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	495.2966
Annotation	Polypodine B
Peak:m/z	Relative Intensity
52.54854	1.3
53.82592	1.4
59.01372	6.4
61.77737	1.2
76.32536	1.4
83.05028	2.5
85.02957	1.7
97.06581	2.8
111.08134	3.3
125.09704	12.5
135.08109	1.5
137.09764	1.4
144.09819	1.6
171.10286	24.8
174.99867	1.4
187.15103	1.5
191.03456	2.5
199.39421	1.8
205.16045	8.2
209.11909	2.7
211.13406	11.1
215.14468	3.1
221.15549	3.4
231.13924	3.2
233.15462	54.1
249.14893	12.2
251.16614	2.5
256.29077	1.4
264.42834	1.4
305.03650	1.8
331.26407	6.6
359.25662	2.5
367.22974	1.9
377.27170	1.6
385.23804	13.6
403.24939	18.2
421.26065	14.4
477.28528	28.2
495.29843	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	495.2967
Annotation	Polypodine B
Peak:m/z	Relative Intensity
59.01386	5.6
63.56509	1.2
70.76763	1.0
74.80010	1.0
76.46568	1.4
81.51419	1.1
83.05007	4.9
85.06616	1.6
89.02448	1.3
92.54266	1.3
97.06618	1.9
107.08697	1.4
107.85596	1.2
109.06557	1.8
111.08139	5.3
119.05044	1.3
125.02431	1.9
125.09702	8.0
127.86784	1.2
137.09740	1.5
138.69862	1.4
145.43246	1.3
167.03516	1.5
171.10254	29.2
186.51697	1.4
205.15993	7.3
211.13475	6.0
215.14426	2.0
218.90128	1.3
221.15471	5.0
231.13979	4.9
233.15453	26.3
249.14948	14.2
257.17569	1.7
269.96579	1.2
303.49448	1.2
331.26584	1.6
341.24911	3.0
343.14197	1.3
367.22928	2.0
377.27097	1.5
385.23999	6.8
403.24796	16.3
421.25970	23.9
477.28586	11.4
485.02808	1.5
485.10144	1.5
495.29807	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	496.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25688	1.4
59.45021	1.2
61.98833	100.0
67.27242	1.3
84.44228	1.2
104.51223	1.1
141.90720	1.4
145.02940	21.3
156.32526	1.4
287.22119	1.7
433.25958	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	497.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63862	0.3
58.97910	0.3
124.01646	6.2
139.04018	12.0
152.01158	7.1
163.00400	0.8
164.01070	0.4
165.01918	4.0
167.03496	100.0
179.03511	1.3
192.00529	0.4
211.15904	0.3
259.05841	0.4
267.06653	1.6
285.04080	2.2
285.07660	1.4
287.05820	0.5
317.06662	1.7
453.11978	7.7
497.11057	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	497.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28931	0.9
59.01145	1.2
59.01389	22.3
60.50441	0.9
61.64956	1.0
71.01392	14.0
75.00871	1.1
85.02954	5.8
89.02457	14.9
93.03416	1.6
95.01369	1.2
99.00864	1.3
99.32394	1.0
101.02435	10.0
109.02963	17.4
111.04510	24.5
113.02454	6.7
119.03499	2.7
123.00871	2.4
124.01648	5.2
125.02457	13.2
137.02432	10.3
139.04016	100.0
140.45219	1.0
151.04060	2.1
153.01880	2.6
161.02440	2.6
161.04543	4.6
163.00392	1.7
164.01167	18.9
165.01898	2.1
167.03500	19.4
177.01945	36.3
178.02748	4.6
179.03510	66.2
181.05135	2.6
193.05025	5.4
195.06653	2.1
203.07077	1.5
204.00655	6.4
219.02963	5.3
260.55557	1.3
319.08203	19.1
335.22485	2.6
357.06223	23.4
439.23373	5.0
497.10941	88.5
497.27652	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	497.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39782	0.4
61.63940	0.4
64.33232	0.5
64.36282	0.4
72.89581	0.4
121.02945	0.4
124.01656	5.2
139.04016	11.3
150.52208	0.6
152.01158	8.8
165.01987	5.0
167.03496	100.0
178.02675	0.5
179.03516	2.1
252.04446	0.5
257.04483	0.6
267.06619	1.9
285.04050	1.8
285.07635	1.0
287.05527	1.1
317.06677	1.7
413.64511	0.4
453.11935	6.1
497.10992	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	497.1297
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
55.04262	0.3
56.25211	0.3
59.01381	4.0
63.99897	0.3
71.01392	2.3
73.02933	0.6
78.90176	0.5
81.03458	0.4
83.01378	0.5
83.05034	0.4
84.62669	0.4
85.02944	1.5
85.96346	0.3
88.83149	0.3
89.02445	2.1
93.03458	3.5
99.00899	0.4
101.02440	2.0
111.04511	3.3
113.02429	0.8
119.03484	0.5
121.02943	1.2
125.02468	0.4
133.02960	0.5
135.04526	46.0
137.02440	5.1
143.07130	0.6
151.06065	0.4
155.03496	2.5
161.02446	22.2
173.04555	1.6
173.08125	0.4
179.03500	100.0
190.06380	0.5
201.11267	0.7
217.10802	0.4
275.18802	0.5
291.08716	0.4
295.10489	0.4
297.22592	0.4
313.11472	1.4
317.17722	1.3
334.03357	0.4
335.07742	30.3
341.08786	2.1
425.10950	0.8
461.15405	0.3
497.13074	47.6
497.25504	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	497.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
72.02901	0.3
85.02946	3.1
93.03442	0.7
125.02409	0.5
127.03941	0.4
155.32921	0.4
165.05618	0.5
173.04565	1.0
187.25974	0.4
191.05630	100.0
297.33295	0.4
305.06784	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	497.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94056	0.3
59.01371	0.5
63.23366	0.3
64.63306	0.4
73.12260	0.4
85.02924	3.3
87.00877	0.6
92.68877	0.4
93.03446	0.8
96.25906	0.4
125.02427	2.6
127.04001	0.8
137.02408	3.0
160.06799	0.4
165.01959	0.4
173.04535	0.8
177.01920	3.8
191.05627	100.0
209.04483	0.4
267.03537	0.4
305.06723	1.3
357.06589	0.4
497.13083	3.4
500.45761	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	497.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78360	0.7
59.29388	0.7
66.86705	0.8
67.01912	0.9
72.07758	0.7
75.55109	0.7
79.79630	0.8
81.03451	1.2
86.82698	0.7
91.05540	3.7
93.03418	0.9
95.04987	1.3
97.02947	4.6
106.14410	0.8
111.04507	1.5
112.36987	0.8
123.04519	34.0
125.02435	1.0
139.98718	0.8
151.03987	1.0
153.05574	100.0
181.01472	0.8
195.02892	1.1
197.04558	43.8
356.80490	0.8
417.30698	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	497.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
71.01383	0.7
81.09650	0.4
89.02433	1.8
94.79013	0.4
101.02424	0.5
115.46042	0.4
125.02441	0.6
132.28835	0.4
149.40297	0.4
167.07133	100.0
191.05617	2.3
293.08740	2.1
399.10043	0.4
404.61664	0.5
461.16708	30.8
497.13980	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	497.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.8
60.16338	0.6
67.01893	6.6
73.02914	0.7
90.75789	0.5
99.04503	7.6
101.85693	0.5
111.00877	100.0
123.02846	0.6
143.03505	36.3
144.75031	0.6
147.06660	5.5
154.99895	0.8
157.83269	0.7
169.01395	2.1
187.02451	1.0
375.36786	0.6
462.92490	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	497.1843
Annotation	3,11-Dihydroxy-staurosporine
Peak:m/z	Relative Intensity
53.28407	0.7
57.03446	1.1
59.01387	24.2
61.98832	1.0
68.45497	0.8
68.88519	0.9
71.01371	13.1
71.79482	0.8
73.02937	2.2
77.18696	0.8
83.01401	1.1
85.02955	6.3
89.02438	12.5
89.91199	0.8
97.02890	1.0
97.31800	0.9
99.00866	1.0
101.02444	8.8
105.03403	0.9
105.98043	1.0
109.02928	7.7
113.02446	6.0
119.03463	3.9
121.02869	1.1
121.06592	11.6
123.04507	10.0
123.08213	1.1
125.02434	3.9
125.09726	8.8
135.04536	1.4
139.03961	1.3
149.02435	6.1
151.03973	4.4
151.07643	8.5
161.02458	10.1
161.04663	1.1
161.06049	2.0
162.03267	1.2
163.00369	4.7
163.03990	4.6
164.01201	3.8
165.05608	1.4
170.30478	1.0
175.03986	2.2
177.01950	1.6
177.05612	1.7
178.20428	1.0
181.08737	1.7
185.11824	3.4
187.04137	1.0
189.01959	9.0
203.03520	4.2
203.07143	1.8
205.05006	4.1
205.12286	2.1
205.16106	1.4
209.11804	2.0
249.15044	11.1
291.16080	1.6
293.14209	1.1
304.59543	1.0
317.13953	1.7
327.21722	3.9
333.13257	1.7
333.20773	1.6
334.21146	2.1
335.15033	5.8
335.21545	7.7
345.13477	7.1
355.11807	1.2
373.13010	1.2
452.82895	1.1
461.28607	1.4
479.30145	4.0
497.18167	100.0
497.27374	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	497.2031
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
50.30712	0.9
57.34298	1.0
59.01377	8.9
66.85778	1.0
71.01369	2.6
73.02942	2.2
85.02956	4.5
87.04504	6.7
89.02434	1.4
91.54935	1.0
97.02934	1.5
97.06560	1.2
101.02438	2.5
103.10735	1.1
112.84949	1.0
113.02489	1.2
123.03653	2.1
123.04523	60.4
125.02452	2.1
135.04509	4.3
136.19055	1.0
137.09737	11.4
151.11272	1.6
153.05573	100.0
155.10779	54.0
163.07660	6.9
167.10709	1.7
169.12318	2.2
179.10773	8.2
181.08699	5.4
195.10352	7.6
199.09769	16.5
223.09750	6.1
241.10832	5.5
255.12360	1.6
279.71976	1.3
283.11838	7.2
343.14172	7.8
386.82352	1.0
396.79471	1.2
429.63666	1.0
497.20374	96.2
497.27167	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	497.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58194	0.8
53.36086	0.7
57.60854	0.7
59.01140	1.2
59.01386	16.1
71.01389	6.2
73.02953	0.9
85.02947	6.1
87.04503	4.1
89.02428	4.2
92.17970	0.8
92.19443	1.7
97.06594	1.1
99.53902	1.0
101.02463	6.2
113.02427	4.7
113.60367	1.0
123.04513	59.8
125.02435	3.6
126.83105	0.9
135.04514	1.7
137.02449	1.0
137.09752	10.5
139.07687	1.1
147.80197	1.0
148.92192	0.9
151.11287	1.7
153.05571	94.0
155.10779	42.5
159.12598	0.9
163.07654	6.8
165.01939	2.2
167.10760	2.0
169.05164	1.0
169.12326	1.9
179.10730	9.6
181.08659	7.5
191.10750	2.0
195.10248	8.8
199.09785	13.8
223.09773	6.6
241.10767	3.8
283.11844	6.6
315.10767	1.1
319.81259	0.9
343.13940	6.5
497.20343	100.0
497.27368	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	497.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20513	2.2
58.03922	2.4
59.01380	49.9
69.39233	2.5
71.01373	36.3
73.02945	12.8
73.89147	2.2
83.01394	3.7
84.71130	2.1
85.02963	19.1
87.00863	4.1
89.02423	16.7
92.19347	4.5
99.00896	3.5
101.02447	53.1
113.02436	24.7
119.03493	2.7
139.04002	3.6
147.67482	2.7
161.04562	4.2
163.38324	2.6
167.03514	3.6
173.26344	2.6
179.03485	3.6
191.09346	2.6
267.75909	2.6
291.18106	15.7
335.22427	4.3
437.23941	100.0
497.11026	5.0
497.21448	88.6
497.27737	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2163
Annotation	Heteroclitin C
Peak:m/z	Relative Intensity
59.01389	62.8
64.65668	5.7
70.27324	5.9
71.01380	42.7
73.02946	11.6
85.02975	9.4
89.02460	23.6
101.02436	37.2
125.02444	6.1
134.27859	7.2
139.04022	22.5
167.03459	8.0
208.16531	5.7
221.32191	7.1
335.22131	11.2
467.96216	6.0
473.21588	8.1
497.11121	10.1
497.21558	99.2
497.27612	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	497.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88173	1.1
57.03449	1.4
59.01387	40.7
59.06419	1.1
67.37968	1.2
71.01381	15.8
72.99309	1.7
73.02948	9.5
75.00874	100.0
83.01390	2.0
85.02956	8.0
89.02431	15.0
92.20123	2.5
99.00871	3.0
100.67400	1.5
101.02442	14.3
113.02440	7.3
119.03558	2.5
137.09747	1.9
139.04012	6.4
153.05557	17.0
155.10831	10.6
161.04604	1.3
167.03476	5.8
167.80385	1.2
177.01910	1.9
179.03423	3.1
205.08766	2.0
245.08231	1.6
248.35193	1.3
265.10760	5.2
292.72241	1.4
335.22174	2.1
357.05930	1.6
374.55606	1.3
421.20761	8.4
478.50635	1.4
484.90701	1.6
497.10919	5.6
497.20935	7.5
497.27771	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34272	1.3
55.01882	1.7
57.03450	1.5
59.01105	2.2
59.01385	38.6
61.98832	1.8
62.59012	1.1
71.01380	27.7
73.02946	17.0
75.33559	1.2
78.60016	1.1
83.01372	6.1
85.02946	18.0
87.00886	1.7
89.02438	7.9
94.38370	1.5
95.01374	1.9
99.00877	5.0
101.02445	46.7
111.69499	1.4
113.02467	15.3
119.03555	1.4
123.04518	19.0
125.02391	5.3
137.09740	3.0
153.05577	34.8
155.10782	13.2
159.03059	2.1
159.79367	1.3
161.04553	10.1
163.07593	1.6
167.03554	1.7
181.08693	5.9
195.10318	2.2
199.09767	2.8
223.09727	1.9
243.61929	1.3
257.59518	1.3
291.18106	22.2
343.14145	2.2
352.47394	1.5
435.17535	1.5
437.23953	100.0
437.30011	3.2
497.20728	41.7
497.27832	14.3
497.32205	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	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93947	0.8
52.21994	1.0
54.26342	0.9
55.01888	1.0
57.03437	0.9
59.01099	1.8
59.01385	33.0
65.40752	0.9
68.11252	1.1
70.61878	0.9
71.01386	23.2
73.02942	17.0
83.01380	9.4
85.02955	15.9
89.02435	7.1
99.00876	5.4
101.01799	1.6
101.02447	41.8
113.02452	14.6
125.02464	1.2
143.03514	1.3
159.02940	1.8
161.04541	7.6
162.56088	1.0
228.72652	1.3
229.08064	1.3
291.18143	24.2
437.23947	100.0
497.11493	1.4
497.20615	4.6
497.27557	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	497.276
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
56.34994	1.3
59.01385	64.7
71.01376	39.7
73.02914	2.0
73.34151	1.2
77.51266	1.2
83.01395	1.9
85.02945	8.9
89.02444	49.2
94.26138	1.4
95.01392	2.2
101.02440	26.0
113.02450	19.5
119.03493	14.6
143.03444	1.5
161.04585	5.3
161.06007	1.8
163.95299	1.3
166.21390	1.3
178.17964	1.4
179.05591	5.8
181.08727	1.4
335.22501	1.5
343.14230	2.7
497.20377	3.3
497.27679	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	497.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03798	1.2
59.01396	5.3
63.31323	1.3
81.29543	1.4
85.60191	1.3
105.34911	1.4
120.97621	1.2
130.49890	1.3
145.07458	1.4
158.53648	1.4
173.45355	1.7
222.28598	1.5
231.21126	1.6
278.29715	1.4
303.23291	100.0
303.26770	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	498.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
60.60411	0.5
61.98838	100.0
63.98671	0.5
65.92450	0.6
71.01374	1.3
78.74872	0.6
89.02444	2.5
90.99055	0.6
92.20022	1.1
150.46941	0.6
193.15944	1.1
195.28232	0.6
298.15973	0.6
306.62161	0.6
435.22360	8.2
498.27850	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	499.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82802	2.5
72.16989	2.7
75.00872	16.3
89.02446	3.9
135.03008	100.0
137.02425	5.6
153.05569	6.1
161.02463	25.8
163.00397	17.7
165.01953	49.0
176.01129	3.4
177.01926	46.9
190.02789	3.7
205.01439	10.4
218.02170	11.9
241.08673	3.0
309.03928	9.8
327.01520	4.6
327.05133	96.9
345.06119	20.6
461.16690	3.0
463.08420	3.7
494.49344	3.1
499.14838	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	499.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
72.99304	24.9
77.39307	2.3
77.98682	2.4
85.02948	47.2
99.04540	3.5
106.23856	2.2
111.04523	47.5
124.84462	2.2
129.01949	18.1
129.05594	18.0
145.02965	44.7
155.03506	100.0
173.00902	15.1
173.04555	88.1
191.05612	13.0
243.79373	3.0
260.48068	2.3
325.09375	25.1
443.97668	2.9
492.36594	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	499.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25216	1.6
59.01385	27.8
71.01387	13.9
89.02448	11.9
92.55665	1.7
97.00426	13.9
101.02437	7.3
106.24568	1.7
113.02450	3.9
114.03067	13.3
118.96609	21.6
119.03465	7.8
132.98196	13.1
156.98091	15.4
157.03667	37.8
160.97656	14.5
168.98155	2.2
196.87155	2.1
198.35965	2.2
198.99286	6.9
210.99280	7.6
217.00270	7.2
229.00284	2.8
259.01346	11.4
283.12723	1.9
341.10928	26.4
364.54776	1.9
401.12958	3.2
439.07709	71.6
439.13611	3.0
445.18365	21.2
463.19235	6.9
499.17059	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	499.1957
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
54.51619	1.1
62.09890	1.3
66.37709	1.3
71.01382	3.2
71.33375	1.2
72.08986	1.1
73.02943	1.4
101.02413	4.9
106.87183	1.3
106.99203	1.1
113.02412	2.4
125.02451	1.4
127.23781	1.4
135.92783	1.7
161.04558	2.8
308.25598	1.3
463.22043	15.2
499.19598	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	499.1959
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
52.41189	2.2
59.01362	7.4
71.01366	4.7
73.02937	2.6
92.20099	4.3
101.02445	3.3
110.66365	2.2
116.76667	2.5
136.07663	16.0
137.43475	2.3
137.68895	2.2
143.64172	2.5
150.16017	2.3
182.08397	2.3
236.11801	2.6
268.04892	2.3
275.14050	5.5
463.21964	15.0
499.19598	100.0
499.28036	2.9
505.04779	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	499.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39308	0.8
57.66076	0.8
92.51794	0.8
97.02931	1.4
121.02954	100.0
160.05270	3.6
171.08095	1.3
175.07666	3.9
189.09274	4.2
212.08372	1.1
217.08723	1.9
229.08708	3.5
240.07919	2.2
240.88696	0.9
255.10226	9.9
258.09009	6.0
273.11331	10.6
275.55109	1.0
377.13846	3.5
380.12781	2.0
395.15002	88.5
499.12488	1.2
499.19568	5.9
499.26392	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	499.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04787	2.9
51.83733	2.6
57.03453	4.8
59.01099	4.8
59.01386	85.4
59.18664	2.8
68.10809	2.7
71.01390	37.7
73.02959	5.9
75.00864	3.0
75.93457	3.6
82.56589	3.2
85.02950	58.1
86.98833	2.9
89.02455	27.7
96.74934	3.2
99.00869	5.2
99.04506	4.3
101.02442	19.3
106.44547	3.0
111.04511	4.6
113.02445	24.7
114.03204	6.5
119.03500	6.1
120.96593	3.5
123.04520	7.8
141.05585	3.7
149.09741	3.4
151.07681	18.2
153.09233	3.7
165.09218	6.0
177.09247	15.1
179.10635	3.3
182.48535	3.3
186.44556	3.3
219.10403	3.4
229.12332	4.3
247.13423	14.5
265.14398	3.7
301.07071	3.9
305.13837	4.2
331.15402	6.2
349.16507	5.3
353.16193	28.2
403.17184	4.3
409.18796	7.3
439.19940	7.9
457.20816	18.3
499.21738	100.0
499.29114	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	499.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
62.53336	3.1
62.89893	3.9
69.54747	3.4
72.53588	3.5
83.60350	3.6
85.89788	3.2
107.71785	3.5
139.29478	3.5
155.94673	4.0
220.40825	3.9
310.69312	3.8
321.07675	7.5
499.16205	17.5
499.24350	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	499.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20970	4.7
62.36498	4.7
65.60997	4.7
69.98769	4.6
73.97716	5.5
81.86354	5.4
96.53622	4.8
121.02985	9.8
183.03011	5.7
200.62202	5.1
244.79474	4.8
250.61411	6.3
499.24634	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	499.2834
Annotation	Acremolide B
Peak:m/z	Relative Intensity
55.29481	3.5
59.01384	6.8
59.75503	4.4
65.89484	3.9
71.23341	4.4
120.04935	4.6
125.02347	5.0
187.07414	5.2
195.79773	4.4
293.18146	4.7
343.76599	4.7
418.97681	5.2
499.20285	7.1
499.28198	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	499.2829
Annotation	Acremolide B
Peak:m/z	Relative Intensity
57.03423	1.1
58.49767	0.9
59.01383	12.9
59.81383	0.9
61.98829	2.3
63.14231	0.9
71.01387	3.7
72.63571	1.1
84.39911	1.1
84.75867	1.0
85.02956	1.7
85.67731	1.0
87.13171	0.9
89.02447	2.0
90.70090	1.0
101.02411	2.4
101.23391	1.2
107.70935	1.1
111.00858	4.7
113.02466	1.4
116.86368	1.0
165.01952	1.4
167.03455	1.9
167.07140	1.4
311.54373	1.2
406.63815	1.1
499.28506	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	499.2919
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01873	0.9
57.03458	1.0
59.01380	21.6
71.01384	16.3
73.02937	5.8
79.08160	0.9
83.01373	4.1
85.02951	9.4
87.00885	1.1
87.04489	3.9
89.02444	7.5
92.90488	0.9
95.01402	1.8
99.00900	1.0
101.02438	18.2
102.23079	1.0
113.02444	9.7
114.05735	0.9
119.03463	1.8
133.23590	0.9
197.89267	0.9
208.75551	0.9
229.07762	0.9
392.00336	0.9
499.29208	100.0
518.36218	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	499.2918
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
52.84230	0.7
53.37555	0.7
58.00597	0.8
59.01388	56.2
66.30917	0.7
71.01384	35.7
72.99331	0.8
73.02937	4.9
83.01394	1.3
85.02953	8.8
89.02447	40.3
95.01398	4.0
97.17845	0.8
101.02448	25.2
113.02459	16.4
119.03487	11.1
125.81940	1.0
126.91592	0.8
146.88771	0.9
161.04567	1.2
179.05615	3.3
187.43480	0.9
284.71106	1.0
337.23767	1.1
399.20007	1.2
405.20117	0.9
499.29202	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	499.2923
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
51.27500	1.4
53.26357	1.5
53.98270	1.5
57.03445	1.3
59.01386	50.7
61.98844	2.8
67.49104	1.4
71.01385	41.8
73.02954	10.2
83.01381	3.6
83.05024	1.7
85.02948	13.7
89.02444	35.6
95.01403	2.1
99.00887	2.5
101.02446	27.9
113.02437	20.8
119.03477	10.8
122.03724	1.8
125.02419	7.1
134.46170	1.5
138.33575	1.5
139.04024	9.8
149.02370	2.4
151.00356	3.1
151.04018	6.7
153.01869	2.6
153.09224	7.6
161.04573	12.0
165.01895	3.7
167.03523	6.5
168.50253	1.6
178.02197	1.7
179.03473	3.1
179.05635	3.5
235.08235	7.6
499.12082	6.7
499.19479	12.3
499.29095	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	499.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63317	4.0
59.30740	4.1
81.04336	5.1
129.44212	4.5
151.00377	4.8
154.52553	5.0
161.84389	3.9
166.59306	4.5
266.21527	4.6
295.92670	4.6
305.24893	100.0
379.56024	4.0
380.70831	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	500.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64962	0.7
54.11924	0.7
59.01376	1.8
61.98835	100.0
64.94254	1.0
67.32726	0.8
71.01371	1.4
83.01392	1.1
101.02448	1.6
125.02489	1.0
187.33566	0.9
455.61560	1.1
500.17590	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	500.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
60.02137	2.4
62.58641	2.5
64.94669	3.0
64.95652	2.5
78.95906	4.6
80.23673	2.8
83.36299	2.6
94.68306	3.1
103.02487	2.9
104.06789	2.9
140.01103	3.7
161.30267	2.9
161.66734	3.3
223.36469	3.4
242.24736	2.7
303.23328	100.0
500.27985	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03299	7.2
66.45256	8.1
68.94639	8.3
78.95930	12.6
91.79030	9.4
123.03785	8.6
140.01181	16.9
168.70432	8.5
196.03772	13.6
303.23236	100.0
500.27817	75.3
502.34665	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	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06498	0.9
50.58710	0.7
54.95418	0.9
59.01386	47.2
68.60156	0.9
70.53653	0.9
71.01412	1.1
74.12688	0.8
113.02439	2.0
131.30510	1.0
157.03526	2.2
163.85762	0.8
174.99240	22.3
175.68172	1.0
201.02553	43.2
217.00301	100.0
269.42764	0.9
333.34158	1.0
343.03757	1.4
359.01498	75.7
449.05719	1.2
501.14529	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	501.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53848	1.4
55.67270	1.1
57.42118	1.2
59.01379	1.9
71.01374	14.1
77.62012	1.4
91.80474	1.5
92.19439	3.2
115.00340	8.0
119.05041	10.6
125.02438	56.8
137.02423	2.4
145.02969	16.5
149.02419	14.5
151.00371	10.3
151.04013	2.1
152.01239	1.9
153.01930	15.1
163.04004	20.8
164.04790	44.2
165.01880	2.0
167.03474	2.2
167.07111	3.5
171.01175	5.7
175.00352	1.7
175.03951	5.5
177.01950	13.1
178.99850	16.0
179.07146	27.5
181.01474	14.0
193.01440	1.6
195.02902	1.7
199.03911	2.4
208.03787	27.8
217.05064	3.4
220.61017	1.6
223.06116	100.0
241.05064	5.5
245.36273	1.5
259.05984	1.7
275.05569	19.7
278.36743	1.3
285.04059	32.0
299.05414	1.8
303.01938	2.6
303.05136	59.8
339.10971	5.5
341.05096	1.8
385.11426	16.3
465.10345	30.2
501.16031	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	501.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33798	1.7
53.35916	1.8
58.83946	1.6
59.01382	20.6
63.74119	1.6
63.86013	1.6
71.01414	2.2
92.19486	2.3
96.81876	2.0
109.02966	21.1
113.02399	2.3
123.04515	57.2
132.22552	2.0
139.03998	19.1
143.07193	1.8
147.06837	2.1
150.03226	3.9
151.03987	23.7
163.03987	14.1
164.01198	14.6
165.05571	7.8
178.02760	7.9
179.03497	100.0
181.05099	2.9
193.05000	10.0
195.06625	2.3
222.81276	2.0
261.07513	2.2
303.08734	83.8
307.16095	2.1
365.49051	2.1
381.19156	2.4
441.21231	10.6
465.14005	82.5
501.23291	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	501.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55495	0.6
58.94647	0.6
60.18691	0.7
71.01382	13.6
72.72939	0.7
79.30604	0.6
79.67962	0.6
80.23755	0.6
96.13456	0.7
96.90581	0.6
111.36768	0.7
115.00355	5.6
126.15244	0.7
133.93791	0.8
149.02426	8.4
152.01147	1.3
164.04791	46.0
179.07146	28.3
179.08739	0.8
193.01378	1.4
208.01814	1.0
208.03795	33.3
223.06129	100.0
265.07181	1.0
344.92368	0.8
385.11438	20.1
500.18573	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	501.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46250	0.6
53.11739	0.7
71.01382	7.7
76.54771	0.7
87.76054	0.7
88.63638	0.7
90.16261	0.8
115.00388	5.7
149.02448	5.8
152.01135	1.7
163.03902	0.9
164.04782	29.1
172.41586	0.8
179.07138	17.5
193.01456	3.4
208.03775	61.5
223.06119	100.0
385.11420	58.9
501.12692	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	501.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38736	0.8
57.03448	1.1
59.01384	21.2
69.03422	1.2
71.01382	32.6
72.72143	0.9
72.99300	1.9
73.02943	10.1
78.95883	1.2
83.01409	1.3
85.02951	24.4
87.00870	15.1
89.02425	2.3
93.55764	1.0
96.96977	2.4
97.02931	1.5
99.39534	1.0
101.02447	11.7
103.04025	4.6
113.02448	55.3
113.60680	1.0
129.02008	1.0
131.03474	6.0
157.01411	2.2
173.04536	10.2
175.02460	6.1
189.07831	1.2
217.03468	2.2
220.30832	1.1
220.92389	1.0
250.55258	1.2
279.33762	1.0
291.58328	1.1
339.09180	2.4
377.72052	1.2
411.11417	5.3
413.56134	1.3
441.12573	8.1
501.14642	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
71.01382	7.7
74.45668	0.8
77.74220	1.0
85.02916	2.1
89.02428	6.0
96.96001	1.7
101.02455	4.5
113.02460	2.2
117.03461	7.1
117.74329	1.0
119.03613	2.0
119.05022	70.9
123.41625	0.9
125.02409	2.0
134.03735	5.0
137.02502	0.9
143.03580	1.0
145.02953	86.4
149.06064	1.2
151.03835	1.0
161.04591	1.5
163.04010	100.0
164.04788	6.7
193.07114	1.5
208.03731	8.2
223.06120	20.8
385.11349	7.8
501.16187	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20370	1.2
53.42086	1.0
59.01396	1.4
64.37122	1.0
75.00863	1.5
75.49399	1.3
89.02453	1.1
91.67220	1.3
92.19484	1.8
117.03474	1.8
118.92925	1.2
119.05012	28.5
125.02393	1.5
135.03004	13.9
142.67705	1.2
145.02950	100.0
161.02444	2.4
161.04530	1.6
163.04012	38.1
165.01978	9.7
175.06216	1.2
177.01964	5.9
193.01456	2.1
193.07184	1.8
277.33170	1.3
325.09055	1.7
327.05164	12.2
339.10870	72.0
345.06128	1.9
353.63602	1.2
466.99515	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	501.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58110	0.4
59.01387	0.4
72.70916	0.4
75.51737	0.4
77.29759	0.4
78.95890	0.5
85.02953	2.8
87.00874	0.5
96.96943	0.5
111.00865	0.8
123.04535	0.6
127.03994	0.5
134.91724	0.4
138.79198	0.5
143.03514	0.6
147.06613	1.5
155.57745	0.4
173.04585	0.6
191.05627	100.0
193.71565	0.4
262.22037	0.4
283.94705	0.4
309.11780	0.6
359.73251	0.5
409.73425	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	501.1902
Annotation	LY223982
Peak:m/z	Relative Intensity
51.02467	2.4
51.59984	3.1
54.10300	2.5
59.01392	4.2
65.42865	2.6
69.70358	3.2
73.88088	3.1
78.17841	2.9
108.71147	2.9
192.09982	3.0
260.25699	3.4
406.66003	3.7
501.19113	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	501.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55441	1.5
55.22430	1.5
56.11707	1.5
71.57613	1.5
76.41451	2.1
77.25101	1.9
81.09966	1.8
85.98157	1.8
136.44481	2.2
152.97545	1.9
154.89861	1.8
261.24301	2.0
264.07730	2.4
265.83240	2.1
279.10266	35.0
280.10919	12.8
307.09851	29.3
308.10492	6.5
321.11472	2.5
322.12106	100.0
323.12918	46.5
501.19247	53.3
518.37616	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29062	0.2
53.75801	0.3
55.65048	0.2
56.53099	0.3
59.01376	1.4
61.98836	12.1
63.37938	0.2
69.01059	0.3
71.01366	0.7
73.02957	0.4
85.02929	0.4
96.99293	0.3
97.31482	0.3
99.00941	0.3
101.02431	0.3
113.02464	0.4
113.06084	1.4
115.00407	0.3
115.03981	2.5
122.03709	0.4
125.02461	0.3
149.20372	0.3
151.04041	0.3
168.04243	0.3
179.71085	0.3
181.08710	100.0
186.33722	0.3
343.13983	28.9
351.80539	0.3
501.19806	3.4
516.73383	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	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35217	0.4
59.01380	2.4
61.98836	9.8
71.01350	0.5
73.70208	0.3
77.50955	0.3
84.26662	0.4
89.02440	0.8
101.02425	0.5
107.47557	0.4
113.06075	0.7
115.03961	2.1
115.43826	0.3
139.04062	0.5
151.07748	0.4
181.08708	100.0
194.06224	0.4
243.86667	0.4
245.43571	0.4
313.77945	0.4
343.14014	25.6
422.76852	0.4
501.20062	5.3
501.27167	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	501.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21790	3.0
50.55954	2.6
53.76865	2.3
58.96921	2.4
59.01385	100.0
71.01382	44.6
73.02945	20.1
76.33749	2.8
79.89663	2.8
81.03450	3.3
85.02951	19.3
89.02448	24.7
91.47220	3.0
97.02943	13.9
101.02441	33.4
103.03992	23.0
113.02481	4.0
115.03995	3.5
115.83920	2.8
119.03476	5.6
125.02432	32.3
133.06604	33.5
151.00470	3.4
163.06102	29.8
163.42308	2.7
172.31424	3.0
247.08273	5.1
301.07126	15.0
307.10370	92.3
373.07617	3.0
396.86920	3.6
434.85223	3.4
501.18375	5.0
501.30161	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	501.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30694	0.8
59.01379	2.1
78.53539	1.0
83.01378	1.9
85.02933	1.3
97.02937	4.7
109.02953	17.2
121.02955	2.4
123.04505	11.5
125.02430	17.6
135.04553	1.6
137.02402	10.5
138.15688	1.2
139.04013	2.0
140.17978	1.0
149.02422	6.5
151.04022	8.5
161.02507	1.5
161.06061	7.7
162.03250	4.4
164.01180	1.7
165.01912	6.7
167.03510	2.3
167.86807	1.0
175.03922	1.8
175.07590	1.2
179.03539	9.7
185.06015	1.1
187.03978	7.7
188.04752	5.7
191.05643	5.1
199.07588	1.0
202.06369	1.6
203.07143	25.5
205.05061	26.9
211.13483	1.1
221.08148	4.5
227.07130	2.1
245.08189	32.6
247.06076	5.0
271.06219	1.6
289.07190	60.2
305.14011	1.2
349.16553	2.4
395.18634	2.5
457.18713	5.2
465.21216	1.3
501.21347	100.0
501.29547	12.3
518.97083	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	501.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64047	2.0
55.91029	1.9
59.01400	2.1
63.00574	1.6
65.05134	1.5
76.34512	1.6
85.02953	2.1
111.04527	36.6
113.02429	7.2
117.96541	1.9
121.02956	100.0
123.08160	3.0
125.06101	2.2
137.09723	3.8
149.09703	3.8
153.60947	2.2
177.09204	4.3
199.93034	1.7
201.13036	2.3
219.13934	8.3
221.11729	1.9
229.12308	2.3
233.85857	1.8
247.13388	74.4
255.93835	2.6
265.14481	16.1
343.84952	1.9
348.86761	1.8
360.75308	2.0
361.16586	4.4
379.17496	2.0
456.29095	1.9
501.21075	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	501.2133
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
58.27975	0.6
59.01374	0.7
81.03445	1.2
83.01383	2.8
97.02954	6.4
109.02946	17.5
120.07402	0.7
121.02929	1.6
123.04522	10.9
125.02430	18.4
130.36354	0.6
135.04535	0.7
137.02448	14.1
138.03404	0.8
139.03990	2.8
143.55794	0.7
146.03720	0.9
149.02441	7.9
151.04005	10.5
159.04477	1.3
161.02454	3.1
161.06081	6.5
162.03217	3.6
164.01170	1.2
165.01921	5.9
165.12930	1.0
167.03499	3.9
175.03963	1.0
175.07695	1.1
179.03511	11.5
185.06065	1.0
187.04019	7.6
188.04822	6.4
202.06310	3.0
203.07159	25.5
205.05049	21.9
217.08783	1.3
221.08188	4.0
227.07161	5.3
230.05887	1.5
231.03036	3.2
245.08163	32.3
247.06105	4.7
251.16478	0.9
271.06244	2.9
289.07190	68.8
305.14105	1.3
349.16580	1.3
363.72806	0.8
395.18555	2.9
457.18475	6.2
483.19867	0.9
501.21313	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	501.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05769	1.0
50.88872	0.9
51.02598	0.9
53.50304	0.9
71.01392	4.4
79.88726	1.1
85.02954	5.2
97.02964	1.5
99.00835	1.3
99.04509	2.0
111.04524	37.3
113.02414	1.9
121.02958	100.0
123.04563	1.3
125.06131	1.4
125.41338	1.2
137.09721	4.9
139.04007	1.5
149.09721	2.5
153.05659	1.6
154.52429	1.1
165.09212	2.3
167.10678	1.5
174.71437	1.3
177.09184	5.5
201.12737	1.7
219.13937	12.6
229.12340	2.5
247.13405	68.9
265.14499	13.8
361.16458	6.9
379.17621	5.0
440.68726	1.2
501.21313	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	501.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80391	0.9
57.69651	1.2
67.97354	1.1
68.21878	1.0
69.98763	1.2
75.35523	1.1
85.02937	5.2
97.02934	2.0
107.48996	1.4
111.04522	35.1
113.02428	7.3
121.02956	100.0
123.08149	2.9
137.06140	1.3
137.09706	2.8
139.04025	2.0
149.09750	2.2
162.20494	1.3
165.09200	1.7
177.09180	4.3
185.28732	1.1
189.09326	1.8
194.35306	1.3
201.12971	2.4
219.13959	9.1
229.12433	2.7
247.13394	74.4
265.14487	14.2
310.50418	1.5
361.16574	5.9
379.17581	6.0
501.20966	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	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50364	2.1
59.01390	42.1
59.22696	2.0
71.01393	12.7
73.02950	16.3
85.02943	22.9
97.06548	2.7
108.95389	2.1
109.06585	5.5
111.04530	3.1
113.02451	17.9
129.05585	4.9
135.04547	3.2
137.06108	32.9
149.06013	3.4
149.09735	4.8
163.07713	2.7
163.89548	2.3
177.09242	9.9
207.04442	2.4
231.13911	14.5
298.89246	2.9
301.14539	4.7
378.23734	2.4
381.19305	3.7
385.38666	2.9
399.20209	4.8
441.21509	3.3
459.22488	3.6
501.23550	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	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.0
61.98825	3.2
62.96986	1.0
63.23418	1.1
69.03458	1.8
71.01376	9.5
72.99318	1.9
73.02959	8.7
75.00879	5.1
83.05040	2.5
85.02950	28.0
87.00891	2.7
89.02438	2.8
91.05466	1.2
95.05040	1.3
95.58376	1.4
97.02972	1.5
98.31600	1.4
99.04543	9.3
101.02473	5.8
112.98640	1.6
113.02460	15.2
121.03072	1.4
123.04546	7.3
125.02478	5.3
125.06075	2.4
126.59703	1.3
129.05537	1.4
133.10248	3.2
137.06088	10.8
149.08585	1.5
149.09761	7.0
153.05582	16.1
155.10724	1.5
159.89192	1.3
161.09737	2.4
163.11327	2.1
167.07207	6.2
173.09729	1.5
177.09219	10.7
181.05089	1.8
193.05084	2.5
203.14471	3.2
204.04233	1.8
213.12881	1.5
215.14276	1.9
216.11649	1.8
225.26862	1.3
231.13873	13.0
241.12500	1.7
259.13480	7.8
315.16046	1.4
381.19406	6.1
399.20416	12.9
423.20432	1.5
441.21271	16.0
459.22482	7.1
501.23666	100.0
515.74432	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	501.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.6
61.98832	8.6
70.20827	4.4
71.49983	3.6
89.58043	4.6
111.00859	28.4
135.76851	5.8
155.10773	5.5
156.31778	4.2
191.05589	17.6
289.63269	4.2
304.04437	4.7
439.94891	4.6
442.85126	4.6
501.26297	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.8
61.12197	1.3
61.98824	8.7
62.57097	1.6
67.83833	1.4
71.01379	9.5
72.99310	1.9
73.02927	3.0
83.36073	1.6
85.02940	1.9
89.02449	12.6
101.02419	13.4
105.96614	1.8
111.00842	2.2
112.58876	1.7
113.02435	3.8
119.03526	1.8
153.05563	3.0
167.10786	27.1
171.57481	1.5
195.10307	3.9
247.16988	9.4
252.07959	9.0
253.09334	18.1
265.15250	3.5
265.18082	100.0
295.13287	2.0
339.12500	2.1
339.25369	2.3
501.17709	5.1
501.31219	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45457	0.4
70.09322	0.4
73.02953	0.8
79.21278	0.4
85.02966	1.1
89.21523	0.4
98.19193	0.5
101.00343	0.4
121.02958	4.3
122.03758	1.0
123.04520	100.0
125.09765	0.5
187.13438	0.9
189.09201	2.2
208.49489	0.5
225.78925	0.5
263.75555	0.5
394.94904	0.5
451.38724	0.5
501.21991	2.7
501.28616	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.286
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
67.02922	0.4
74.33422	0.4
111.08138	2.3
122.03813	0.7
123.04516	100.0
187.13438	0.9
189.09224	2.5
194.57184	0.5
252.69521	0.5
501.28647	49.8
524.39618	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	501.2987
Annotation	Acremolide A
Peak:m/z	Relative Intensity
51.71158	3.1
59.01375	17.6
101.02473	4.5
121.02927	5.1
210.57281	4.8
225.24669	4.1
237.47137	3.3
276.75421	3.9
311.12970	38.0
339.12378	38.0
382.25494	3.8
501.18451	25.2
501.30090	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	501.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87635	3.1
59.01381	21.5
63.14551	3.3
71.01369	4.3
89.02438	4.6
109.02950	18.7
121.41301	4.6
123.04523	14.5
125.02446	5.2
131.90048	4.4
137.02461	6.9
149.02473	5.3
151.03987	4.1
161.06096	5.3
165.01819	4.6
170.35956	4.1
179.03471	8.0
191.05627	6.3
203.07137	15.7
205.05064	20.0
227.13097	4.2
234.73007	4.1
245.08153	29.5
289.07260	50.5
299.74716	4.5
465.21304	7.2
501.21454	100.0
501.29916	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.2
69.48298	5.1
71.01385	18.9
89.02449	21.7
90.09969	5.0
96.95963	5.9
101.30359	4.3
101.52119	4.4
113.88915	6.0
119.43177	5.3
141.49286	5.9
179.05695	8.6
221.15421	11.9
258.52371	5.1
303.23187	11.9
321.24432	100.0
427.31366	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	501.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35061	7.2
54.04335	7.3
56.34095	7.4
59.01385	40.4
70.93015	8.9
75.56350	8.9
83.10948	8.5
99.99815	8.6
113.02441	10.4
271.14990	10.8
279.23248	100.0
293.24841	55.4
321.24426	14.0
391.19168	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	501.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.8
64.87754	3.1
69.36711	3.5
71.01390	6.2
73.02939	7.9
74.89413	3.2
113.02436	6.0
125.02419	6.1
155.08522	3.6
263.23709	5.4
275.23758	4.7
279.23297	100.0
293.24869	46.7
303.23334	5.1
321.24405	31.0
395.72424	3.7
425.90204	3.6
528.08545	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	501.3226
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
60.60427	0.6
67.23103	0.6
68.04876	0.8
76.84664	0.6
83.67638	0.7
100.44839	0.8
103.19032	0.8
104.39170	0.8
109.36440	0.7
112.43120	0.9
164.92285	0.7
191.14420	4.1
205.16006	7.2
207.17519	1.0
233.15382	1.6
258.16281	1.2
411.32809	1.4
421.31046	7.1
430.73157	0.9
439.32224	100.0
457.33347	7.1
501.32413	23.3
521.01563	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	501.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88665	70.4
51.90285	72.8
56.25258	69.8
56.43511	78.3
62.31772	65.2
64.32737	92.1
84.29683	85.3
107.59225	95.9
144.61528	98.6
167.61638	82.9
191.06097	79.6
206.19943	76.9
252.29678	87.4
257.53607	79.0
279.75058	80.5
295.32825	100.0
501.35431	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76032	0.6
56.85981	0.7
58.55878	0.6
59.01390	1.0
59.55506	0.7
61.98835	100.0
62.32818	0.7
71.88562	0.7
78.95456	0.9
78.95905	22.6
96.96945	1.2
99.26072	0.8
139.24698	0.9
140.01239	1.3
152.99574	5.6
171.00652	9.5
196.03738	4.3
305.24887	27.9
386.12744	1.1
502.29437	30.9
502.36713	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78294	1.6
54.56390	1.8
55.50839	1.7
61.98516	4.3
61.98834	91.8
65.56332	2.1
65.71162	1.8
78.95912	10.0
125.02463	4.1
148.47514	1.8
185.10553	2.2
224.06929	3.8
277.21750	46.4
395.27841	7.7
439.27054	100.0
502.29315	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2943
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
54.94945	0.7
55.70441	0.9
59.01381	1.9
61.98832	9.2
74.46727	0.8
78.95907	17.2
89.59994	0.7
96.02449	0.9
113.01052	0.9
125.02453	1.2
129.51065	0.8
152.99550	4.2
154.84511	0.8
168.04301	7.3
194.36919	0.9
224.06889	10.5
242.07982	1.7
259.20691	1.1
277.21732	100.0
292.39410	0.9
359.79352	0.9
439.27097	8.9
502.29416	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
60.28106	0.6
61.98833	25.0
74.49864	0.6
78.95902	3.5
90.16386	0.7
140.01184	3.1
196.03751	1.1
200.03473	0.7
214.04881	4.2
305.24881	100.0
377.65018	0.6
453.16550	0.6
502.29407	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11249	1.9
59.01366	4.3
61.22480	1.6
68.08408	1.7
69.39118	2.1
78.95904	36.1
79.16728	1.9
89.54355	1.8
100.17841	2.0
131.85426	1.8
135.07048	2.0
140.01189	7.7
152.99597	7.5
171.00639	7.6
191.62260	1.9
196.03857	16.2
214.04918	3.2
246.93739	2.1
305.24893	100.0
352.52429	2.0
377.05579	2.0
414.98294	1.9
502.29431	96.7
517.22906	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	503.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89362	0.8
54.66780	1.2
59.01373	2.0
63.49623	1.1
75.00851	7.0
93.03423	6.8
111.04494	1.4
123.00922	1.2
123.04557	1.7
125.02465	4.4
131.40005	1.0
135.03011	12.1
137.02403	2.1
151.00328	5.6
151.03992	1.4
152.01149	32.6
155.03503	1.4
161.02388	5.0
163.00346	2.1
167.03519	12.3
173.04549	53.2
178.99864	13.8
180.00650	11.1
191.03506	2.6
193.01382	2.5
207.02892	1.7
207.28848	1.2
208.00153	82.8
209.00888	6.5
211.07622	4.4
215.53455	1.2
219.03001	13.1
221.04433	1.7
223.02539	1.4
234.01614	6.6
235.02393	5.5
237.04066	2.2
247.02457	14.1
249.04036	3.7
249.07506	1.1
261.03528	1.3
265.03452	1.6
293.02927	1.5
355.06479	2.0
367.06769	26.1
383.05942	4.6
385.07581	4.9
411.09000	1.4
502.58603	1.3
503.10324	100.0
505.87277	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	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80080	0.2
59.01374	1.1
60.99314	0.4
66.72480	0.3
67.01889	2.1
69.03445	0.3
71.01380	3.0
93.03455	15.1
108.02176	1.7
109.02965	0.4
111.00868	0.5
111.04520	4.2
123.04523	2.5
137.02449	3.5
152.01175	3.4
155.03493	3.9
156.17166	0.3
161.02478	0.5
167.03494	18.4
173.04547	100.0
245.92792	0.3
263.55499	0.3
315.66528	0.3
329.08853	2.3
495.43137	0.3
503.14099	12.6
511.34866	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.4
71.07123	0.4
83.45991	0.4
84.01416	0.4
93.03442	0.7
103.04002	0.9
108.02153	5.9
111.04488	1.8
123.04519	13.7
152.01147	13.6
153.01888	0.4
155.03461	2.9
167.03491	100.0
173.04529	4.8
201.83014	0.4
313.11420	0.7
329.08777	15.6
339.03506	0.4
369.46036	0.4
503.14105	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	503.156
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
50.94220	0.7
54.84379	0.6
56.81009	0.6
59.01382	16.4
67.54630	0.6
71.01375	4.2
73.02927	1.6
83.01385	51.7
85.02919	1.7
87.00873	16.6
89.02413	3.1
93.03445	0.9
95.46654	0.8
101.02417	3.4
107.04984	1.1
109.02948	1.0
119.05075	1.0
121.02943	24.6
122.03717	1.7
123.04514	9.7
125.02437	0.9
127.08823	0.7
135.04518	4.4
147.04539	5.4
161.05977	1.2
163.63097	0.8
165.60941	0.7
171.10298	0.8
193.05078	7.5
211.13243	0.8
219.06670	1.5
270.40775	0.8
279.13910	3.5
297.11346	11.1
323.12759	1.4
341.10306	100.0
341.13727	3.5
503.15201	18.7
503.28943	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34525	1.2
55.50787	1.0
57.03445	1.3
69.36494	1.3
76.17318	1.2
81.22028	1.3
84.55724	1.2
109.02952	4.9
111.04537	6.1
116.27893	1.2
125.02448	2.6
139.04028	15.6
139.07658	60.4
139.68175	1.2
164.01207	2.4
179.03519	10.3
183.06631	100.0
236.04211	1.6
280.68497	1.2
319.08249	20.8
337.51624	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	503.1622
Annotation	Gentianose
Peak:m/z	Relative Intensity
57.03458	17.4
59.01384	9.8
59.74144	0.9
69.77949	1.0
71.01386	4.3
84.50547	0.9
85.02963	1.5
89.02474	2.0
99.04523	41.5
101.02450	15.3
108.15179	1.0
120.96089	1.0
137.82037	1.0
161.04564	100.0
167.03456	1.7
173.04517	1.2
191.05594	2.3
191.90244	1.1
213.12112	1.2
222.48343	1.0
268.31464	1.2
316.56525	1.3
457.70621	1.2
462.81451	1.1
503.16171	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	503.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05042	0.9
54.69680	0.9
59.01387	7.8
71.01373	6.7
74.64203	1.0
81.03489	1.3
85.02959	1.1
85.50608	1.2
89.02441	5.2
92.20097	2.0
95.05028	1.5
97.02959	1.9
101.02450	4.3
101.06084	5.1
106.67735	1.3
115.07643	4.8
119.03517	1.4
121.60499	1.1
123.04537	1.3
125.02438	17.7
125.06091	4.5
141.09235	1.2
146.43114	1.2
155.03484	2.1
164.04753	1.6
165.09216	5.6
167.03491	18.0
167.07181	2.7
174.03273	2.0
177.09114	1.4
179.07152	2.3
179.10791	8.9
197.04459	1.7
207.10228	4.2
209.08241	28.0
221.08167	7.5
223.09668	2.0
223.47093	1.2
249.07481	1.4
251.09264	100.0
263.09167	4.1
281.10352	25.8
296.07217	1.1
311.09167	5.3
341.10159	4.6
443.19150	4.8
503.16873	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	503.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.9
61.98832	0.7
71.01385	0.7
85.02937	0.6
88.45839	0.4
89.02444	0.6
101.02446	0.6
101.44087	0.3
109.68444	0.3
111.00883	1.2
203.07144	10.0
243.68579	0.4
281.11743	0.7
282.12585	0.7
295.13455	0.6
296.14166	1.3
297.14963	100.0
341.13968	6.5
341.26965	0.6
349.49637	0.4
385.26035	1.3
421.67984	0.3
440.08844	0.3
447.21152	0.4
459.20221	4.3
476.68295	0.4
503.19238	28.0
503.26385	1.1
503.32458	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	503.1936
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
50.59364	0.8
53.20713	0.8
57.79968	0.9
59.01381	4.3
62.48465	0.8
64.64719	1.0
65.06291	0.9
72.45162	0.9
77.22947	1.0
86.24150	0.9
91.03732	1.0
97.15513	1.0
114.75152	1.1
150.06883	1.2
191.05687	1.7
230.40724	1.2
269.15515	13.3
279.13840	7.8
295.13422	1.5
297.14978	12.9
310.12039	4.3
311.12930	24.5
323.12976	5.3
327.25455	2.0
340.13211	4.3
341.13956	100.0
371.24451	1.8
503.19257	77.1
503.28683	7.8
515.99213	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49502	2.8
59.01133	4.2
59.01393	54.2
71.01390	67.9
73.02941	17.6
80.91669	29.6
83.01397	6.7
85.02953	33.6
89.02439	51.6
97.02972	4.6
99.00861	5.8
101.02444	50.9
106.51815	4.0
113.02456	27.5
121.02956	100.0
125.02415	16.8
126.38454	3.6
131.03481	6.5
131.34128	3.1
149.04593	4.3
149.09721	23.3
159.03055	4.6
161.04572	13.8
215.65086	3.9
242.52916	3.5
274.38391	3.8
293.08807	55.3
341.16129	17.6
443.19339	45.6
443.25049	4.8
503.21344	47.3
525.30530	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	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37543	2.5
59.01383	61.7
69.03450	4.0
71.01385	66.1
73.02937	4.9
73.64025	2.4
74.75671	2.7
81.03445	3.2
85.02961	12.4
89.02438	65.6
92.19439	5.1
101.02443	18.4
113.02431	5.3
121.02954	41.2
125.02496	20.1
125.15849	2.4
131.03505	9.7
149.04567	18.1
149.09706	61.3
156.51025	2.9
162.64952	2.9
167.07115	2.6
198.38167	2.6
255.95267	2.5
288.27316	2.5
293.08789	100.0
307.51770	3.1
312.92960	2.7
443.19165	24.1
503.20197	4.3
529.72913	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	503.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50388	1.2
56.80753	1.1
58.86713	1.2
59.01373	6.7
60.30599	1.2
63.58221	1.1
71.01373	5.7
71.19357	1.1
73.02945	5.7
75.00877	3.0
83.05015	2.1
85.02953	2.0
87.00873	7.2
92.19424	2.0
97.02898	1.5
101.02439	2.8
113.02446	1.4
119.05022	1.4
121.02951	67.2
121.06543	2.2
125.06036	1.7
137.06111	2.3
149.06064	1.6
151.07639	1.5
163.07660	1.9
165.05579	1.5
173.09724	3.2
199.11229	6.8
213.09187	2.5
217.12379	2.8
227.10814	2.8
229.12309	2.2
239.10718	2.2
305.13947	12.9
341.13885	3.4
381.19193	100.0
389.58682	1.4
427.17606	6.5
503.22476	8.3
503.29617	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	503.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37472	0.6
64.26055	0.5
79.17754	0.5
121.02955	100.0
123.04541	7.1
127.49365	0.6
132.88205	0.5
138.61128	0.6
160.68063	0.6
168.37425	0.6
175.07524	0.6
213.27148	0.7
263.69662	0.6
269.11819	1.1
287.12848	0.9
305.13834	2.5
323.14850	4.5
473.25525	2.5
503.29340	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	503.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38466	0.8
51.11849	0.7
55.01877	1.0
57.03445	1.6
59.01386	20.7
62.81750	0.9
63.89478	0.9
71.01376	24.4
72.99295	1.1
73.02944	10.6
79.53594	1.1
83.01388	5.2
85.02952	16.1
86.00069	0.9
89.02431	6.0
92.19440	1.5
94.00579	1.1
95.01379	1.2
99.00878	1.8
101.02433	19.9
113.02430	12.1
128.97995	0.8
129.14799	1.0
164.79713	0.9
268.07428	1.4
274.49951	1.0
297.15005	12.0
341.13931	11.7
459.13785	1.1
470.15732	1.1
503.17453	16.9
503.32324	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	504.31
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
58.12902	0.9
63.22573	1.0
65.08653	0.9
65.46789	1.0
68.02631	1.0
78.95914	11.9
80.67072	0.9
86.82614	1.0
101.72596	1.2
152.99602	2.5
168.04279	2.6
224.06934	7.7
242.08054	2.1
279.23291	100.0
406.71289	1.1
504.30966	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3102
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
50.29296	0.3
51.21518	0.3
52.87331	0.3
53.80712	0.4
60.36006	0.4
67.32850	0.4
78.95906	3.7
94.76221	0.4
113.76816	0.4
134.17729	0.4
140.39493	0.4
148.54562	0.4
168.04338	1.7
203.19998	0.4
242.08017	2.0
279.23309	100.0
395.16034	0.4
504.31006	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Campsiside
Peak:m/z	Relative Intensity
53.10163	0.5
53.40331	0.5
59.01376	0.7
60.58996	0.6
61.98824	1.0
66.06100	0.5
73.02916	1.2
83.01387	18.8
83.05022	0.9
89.02389	0.6
101.02439	0.7
109.02902	0.6
121.02953	10.3
122.03748	6.3
123.04517	14.3
125.02422	0.8
135.04518	2.2
137.06081	6.7
145.08693	2.8
147.04488	4.7
148.05278	0.6
151.03986	0.8
161.06070	2.8
163.07626	1.0
177.05489	0.7
189.05576	3.4
195.06619	5.4
203.12856	1.3
205.05101	0.9
206.05815	1.2
207.06647	13.1
221.08185	6.5
257.34601	0.6
284.10318	0.6
299.12848	3.8
301.18109	1.1
325.10913	2.5
328.09454	2.8
343.11880	100.0
435.56467	0.6
505.17123	9.8
505.32245	5.5
516.51770	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	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.6
71.01376	7.9
89.02431	4.0
92.20072	2.3
94.46709	0.9
99.00877	1.4
101.02428	1.1
137.02428	1.6
143.04991	3.6
159.04518	4.5
160.05299	94.1
173.06067	1.9
174.06894	9.5
175.07646	22.1
177.05547	4.4
179.07135	8.7
183.01933	1.0
192.04314	3.6
204.04364	4.2
207.06633	9.0
218.05997	1.2
219.06577	7.3
222.05260	3.3
237.07703	10.3
315.12561	1.3
343.11740	1.8
355.11896	100.0
373.12875	6.6
424.48099	0.9
429.56647	0.9
505.31668	2.2
531.66608	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	505.172
Annotation	Campsiside
Peak:m/z	Relative Intensity
59.01387	1.2
60.99849	0.6
61.05702	0.8
62.79768	0.6
81.67567	0.6
82.41408	0.6
83.01387	19.0
89.02448	0.7
112.53214	0.7
121.02935	10.7
122.03741	6.6
123.04514	15.5
125.02352	0.7
135.04442	0.9
136.01672	0.9
136.05304	1.0
137.06075	7.0
145.06694	1.2
147.04529	5.0
151.03979	2.5
161.06076	1.4
163.07687	1.0
163.80019	0.6
177.05655	0.8
180.00279	0.6
189.05594	4.4
195.06650	6.2
206.05869	2.6
207.06628	14.4
219.06766	0.6
221.08139	8.8
239.20270	0.9
281.11847	0.7
284.03204	0.8
284.10361	1.3
299.12848	1.5
325.11053	0.6
328.09512	4.0
343.11884	100.0
456.62250	0.7
486.94110	0.6
501.54956	0.7
505.09631	1.3
505.16806	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50467	0.2
53.10690	0.3
53.56895	0.3
59.01379	0.4
61.24811	0.3
63.49766	0.3
81.15939	0.3
85.02956	3.5
87.00888	0.4
90.61269	0.3
93.03436	0.6
103.00335	0.3
110.14059	0.3
119.03473	1.4
127.03996	0.4
149.04524	1.5
163.02487	0.4
163.06119	6.2
173.04564	0.6
191.05624	100.0
210.67401	0.4
217.66339	0.3
232.41426	0.3
265.10367	0.3
505.17059	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	505.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
72.99287	0.6
76.48136	0.6
85.02943	3.4
86.36227	0.6
116.58398	0.6
145.05118	0.7
149.04564	1.4
159.39052	0.7
163.06126	1.0
191.05624	100.0
207.34972	0.6
400.82953	0.7
403.65829	0.7
505.14374	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	505.183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09861	0.6
72.00916	4.4
74.02469	5.7
77.50503	0.5
116.05048	26.1
124.01654	2.6
129.05797	1.0
139.04012	26.7
142.06593	7.9
159.09279	10.9
161.04546	2.1
186.05505	1.0
203.08270	100.0
246.73427	0.6
301.09290	3.6
473.87311	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	505.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
71.01391	1.2
73.02945	1.2
82.32762	0.8
85.02966	1.1
86.30292	0.8
89.02442	1.7
94.04745	0.9
96.96023	1.0
101.02454	3.1
122.03745	1.1
123.04495	1.1
137.02437	1.3
142.66901	0.8
153.05573	4.0
165.65872	0.8
181.08717	100.0
181.12303	5.6
195.52364	1.0
263.52597	0.8
265.21310	0.8
284.03351	0.9
298.04834	0.9
299.05441	1.2
343.11792	8.4
469.20786	25.6
505.22476	20.3
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
59.01377	6.3
59.32169	0.5
59.37370	0.4
71.01357	3.9
73.02963	1.0
75.54500	0.5
85.02921	1.1
87.00848	0.6
89.02438	4.0
101.02441	4.9
110.99907	0.5
113.02455	1.3
119.03481	1.2
122.12746	0.6
125.02427	0.7
136.72586	0.6
152.31198	0.7
163.07637	4.0
181.08713	35.0
221.04532	0.5
343.14005	100.0
505.19736	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	505.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80463	0.5
57.03445	4.5
59.01113	0.7
59.01385	16.7
65.97693	0.7
71.01379	12.5
73.02946	1.6
79.80485	0.7
83.01399	1.1
83.51751	0.7
85.02940	4.9
87.00859	1.3
89.02433	7.8
95.01350	0.9
99.00867	1.4
100.38460	0.8
101.02446	14.2
104.57397	0.6
110.15960	0.6
113.02434	7.4
115.00297	1.6
119.03486	3.0
122.03751	1.4
141.41820	0.9
147.11794	1.2
161.04539	1.6
161.08177	0.9
166.06371	0.7
179.05637	1.0
181.08708	100.0
197.77742	0.7
202.36975	0.7
218.43231	0.7
284.18073	0.7
315.08813	1.6
323.09961	10.3
323.84512	0.9
330.11111	1.4
343.13950	7.3
389.12943	2.2
389.18170	17.9
505.19250	39.8
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
50.12418	1.9
50.24330	2.2
59.01384	73.5
68.11623	2.4
69.03468	3.0
71.01388	27.7
73.02963	21.2
78.04739	2.2
81.03469	2.7
85.02959	9.3
89.02438	13.8
97.02979	4.1
101.02451	20.0
103.04001	14.0
106.78667	2.6
114.48185	2.3
122.03717	6.0
125.02454	24.3
137.06076	32.1
154.83672	2.5
157.82088	2.7
163.06131	18.9
181.05069	100.0
191.75897	2.2
205.05038	15.1
307.10361	40.1
334.92685	3.0
354.54721	2.6
505.15640	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2076
Annotation	7-(10'-Hydroxygeranyl)scopoletin 10'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.78966	0.9
54.81717	0.9
57.30245	1.0
59.01371	7.0
60.99304	1.5
68.54605	1.0
71.01397	2.2
82.95425	1.6
83.02499	2.4
85.61476	1.0
88.98795	15.8
89.02429	5.7
98.81897	1.1
101.02444	2.1
113.20812	1.1
121.02962	8.9
148.59111	1.3
161.38982	1.1
162.03224	1.4
163.82863	1.2
165.09172	20.0
177.05579	6.2
181.08607	2.3
255.10330	10.0
283.13358	1.4
299.16446	5.0
307.13480	2.1
310.12122	7.0
325.14484	58.5
342.14737	1.5
343.15546	100.0
451.23523	1.4
505.20801	86.3
505.26373	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	505.2084
Annotation	Aviculin
Peak:m/z	Relative Intensity
59.01104	1.5
59.01385	38.6
71.01388	9.1
73.02943	2.1
85.02962	2.5
89.02438	5.1
92.19476	1.1
101.02425	4.2
103.03967	1.1
103.77118	1.1
109.02943	4.4
115.79860	0.9
123.04547	2.2
139.15166	1.2
159.04449	1.3
172.05371	1.3
173.06102	2.1
186.54709	0.9
187.07550	1.3
194.04903	1.2
214.95166	1.1
268.07321	4.3
295.09604	4.5
300.02740	4.8
301.03546	1.4
311.09366	11.8
313.10797	5.0
315.09885	1.2
326.11661	15.4
341.13785	7.9
344.12592	16.3
359.15033	16.4
505.09537	3.0
505.20844	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	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
57.65589	0.7
59.01369	1.4
75.91550	0.7
78.95905	12.7
79.60013	0.7
81.07146	0.8
88.49397	0.7
98.90824	0.8
115.43435	0.8
152.99583	42.4
227.03291	4.6
251.54222	0.8
267.00391	0.7
277.21732	97.7
279.23230	1.4
280.23563	6.1
412.30319	0.9
464.70950	0.8
504.74118	1.0
505.25693	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
59.31387	1.4
59.39317	1.6
70.47952	1.6
70.72017	1.8
78.95918	3.4
127.11212	2.1
142.06456	1.9
142.90805	2.3
150.03185	3.3
152.99605	21.0
157.69049	2.0
171.00673	2.0
176.01143	16.1
185.69722	2.1
191.03506	40.8
277.21744	100.0
313.23602	3.2
347.14920	7.2
351.27023	2.2
402.10767	2.0
413.27118	2.0
431.28131	3.5
505.25949	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	505.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07780	0.9
57.03445	0.9
59.01384	100.0
71.01379	18.8
73.02951	4.3
77.08784	1.1
80.49863	0.9
80.52652	0.9
83.01384	1.5
85.02950	11.1
87.04484	1.4
89.02425	8.1
95.01382	1.2
101.02448	13.9
111.00862	1.1
113.02451	10.5
119.03474	1.4
154.49728	1.0
161.04610	2.2
163.67892	0.9
181.45932	0.9
225.72769	1.2
282.37335	1.0
287.64484	1.1
297.15051	2.3
298.15387	2.1
299.16248	7.7
319.45993	0.9
343.15469	1.5
343.28665	5.8
357.24173	1.3
375.16943	1.1
445.29614	29.3
505.21848	7.3
505.33820	60.6
526.89423	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	505.3176
Annotation	2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate
Peak:m/z	Relative Intensity
57.03441	3.6
59.01375	8.2
67.26394	1.6
71.77926	1.6
92.20100	3.5
109.06593	51.9
208.42720	1.8
264.82806	2.3
313.25320	11.5
327.26923	2.7
341.28360	8.5
364.05365	2.3
389.30685	16.1
443.25739	2.1
443.31784	10.5
461.32706	29.6
490.16837	2.2
505.31754	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	505.3176
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
52.15956	0.9
57.03455	1.7
57.89971	0.9
58.09402	0.8
71.01396	0.9
85.02962	1.8
85.06580	4.3
99.08176	1.4
111.08159	37.5
125.06085	3.8
129.09163	1.3
143.10760	1.5
187.13403	25.1
227.14430	7.4
231.13873	2.4
245.15497	22.5
273.14835	1.4
281.15430	5.2
287.16464	2.1
291.75192	1.0
299.16467	11.5
317.17538	7.0
339.23230	5.0
355.04303	1.1
419.27982	1.5
433.29517	5.2
469.29636	4.6
487.30746	18.0
505.31750	100.0
518.93750	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	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.7
71.01381	8.6
73.02949	2.6
85.02979	2.3
88.90179	1.9
89.02428	3.2
101.02441	9.1
113.02451	4.1
119.15014	1.8
125.02462	1.8
137.67531	1.7
208.05923	1.9
232.75696	1.6
311.87704	2.1
325.27539	2.8
343.28513	35.4
360.43219	1.8
505.28091	3.5
505.33951	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	505.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66196	2.6
55.59261	2.8
59.01384	98.6
78.85651	2.8
78.95901	3.9
80.19603	3.2
80.60133	3.0
83.14156	3.3
95.41605	3.0
130.79918	3.7
157.73991	3.4
189.15184	3.4
241.08673	3.7
268.10818	3.4
273.22275	5.3
376.73996	3.5
407.29581	37.2
425.30771	57.1
427.32474	22.7
445.27896	3.9
445.33298	100.0
505.30997	11.6
517.07605	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	506.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66992	0.7
61.50945	0.8
74.81970	0.7
92.19447	1.7
107.38708	0.8
108.02148	3.9
130.08734	44.0
138.01970	100.0
172.08347	1.6
172.09801	40.1
183.88281	0.8
216.08722	1.1
381.73645	0.8
391.55872	0.9
518.50940	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	506.3254
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
53.57021	0.8
55.54285	0.8
55.90582	1.1
59.01342	1.0
68.27433	0.8
78.95922	1.9
79.60139	0.9
120.28648	1.0
134.44868	0.8
164.08295	0.8
168.04332	1.0
194.28604	1.0
281.24872	100.0
506.32587	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	506.3249
Annotation	Gymnodimine
Peak:m/z	Relative Intensity
50.75962	0.6
52.50776	0.7
57.38641	0.6
58.10913	0.8
73.13238	0.6
78.95900	10.6
103.65220	0.8
112.12378	0.7
152.99571	1.8
168.04347	3.7
224.07001	5.9
247.88235	0.8
280.23523	3.1
281.24881	100.0
363.71793	0.9
407.62460	0.8
506.32541	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1147
Annotation	Moghanin A
Peak:m/z	Relative Intensity
57.41037	1.8
59.01388	3.5
60.05566	2.0
66.07541	1.7
71.01388	3.2
75.00886	2.3
86.93684	1.9
89.30788	1.8
99.00920	2.0
111.00850	2.2
113.02434	2.8
121.02971	4.2
125.02444	6.9
137.02452	3.6
145.02975	9.2
151.03989	2.1
155.03496	2.3
156.99457	2.4
181.08720	2.6
185.06123	2.6
229.05054	19.4
241.04982	4.2
243.06500	2.4
255.03021	3.2
269.04480	3.3
271.06125	35.9
279.15271	1.9
281.04782	2.8
283.06104	12.2
295.05728	2.4
297.04025	9.5
299.05658	9.7
301.07159	19.1
310.04779	2.2
311.05701	13.0
327.05188	10.5
328.36603	2.0
329.06717	7.5
329.35388	2.4
341.06665	8.9
357.06158	2.8
387.07376	17.1
399.07693	1.9
417.08087	2.3
489.10715	3.0
489.18576	2.4
507.11551	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	507.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
67.51630	0.8
71.01379	1.9
74.26826	0.9
76.70229	1.1
89.02418	1.0
90.78004	0.8
96.73724	1.1
111.00880	5.6
113.02428	1.6
119.04977	1.3
156.81039	0.9
176.60771	1.0
179.07143	2.2
189.12492	1.0
230.05617	1.0
241.01428	4.5
242.02193	9.3
243.02960	1.8
257.04535	1.3
258.01654	7.1
266.31415	1.0
269.00809	4.3
270.01736	2.4
273.04059	39.9
286.01300	4.3
287.05719	8.7
287.08533	1.0
301.03555	34.0
301.41486	0.9
315.01501	4.2
315.05249	6.5
316.05850	15.4
327.16098	2.0
329.03000	18.5
330.03995	4.4
344.05380	51.7
345.05902	7.9
345.17133	2.3
360.94516	1.1
507.11530	100.0
507.21103	4.7
507.28040	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	507.1147
Annotation	Tomentin 4'-glucoside
Peak:m/z	Relative Intensity
59.01384	11.8
61.98834	5.3
62.08918	1.1
69.50834	1.0
71.01385	19.9
73.02952	6.7
83.01375	1.3
85.02928	8.5
89.02454	9.5
89.74335	1.1
99.00857	4.5
101.02439	18.8
103.15269	1.1
108.06595	1.2
111.08155	10.9
113.02465	10.7
119.03509	1.4
131.03435	1.4
155.74701	1.2
159.02975	1.5
161.04575	8.2
165.01927	5.5
187.13467	5.9
273.04102	1.7
285.04108	10.9
287.01920	4.1
299.05426	2.0
301.03598	14.1
301.18204	1.5
315.01456	17.9
315.18146	7.3
319.19284	2.7
329.03049	100.0
330.03824	50.1
344.05396	55.6
345.06195	42.7
345.16916	1.3
447.22400	50.5
502.60199	1.3
507.11490	87.8
507.23032	2.5
507.33304	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	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
61.55911	0.7
62.10929	0.7
71.53770	0.8
75.00867	12.7
84.17204	0.7
85.02966	3.2
85.22545	0.8
87.00860	6.5
89.02472	0.9
93.03461	3.7
99.00894	1.1
100.14945	0.8
101.02444	1.3
103.14224	0.9
105.01945	9.2
109.02945	0.9
127.04021	1.5
129.01935	2.9
147.02963	4.6
153.01929	6.9
164.81274	0.8
165.04041	87.6
165.98053	0.9
191.05629	100.0
274.87268	0.8
283.26633	0.9
315.07254	1.7
468.50034	0.9
492.66678	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	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96495	0.5
59.01377	0.9
59.28736	0.5
61.36921	0.6
75.00868	22.6
83.03701	0.5
87.00869	4.3
99.00858	1.2
101.02430	1.0
105.01929	5.1
117.01937	0.6
127.07777	0.6
129.01938	7.2
147.02983	3.4
165.04042	100.0
178.13045	0.7
191.05653	0.9
192.63010	0.6
209.42293	0.7
381.71057	0.6
418.78305	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	507.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99016	1.0
59.01382	2.1
59.55690	0.8
71.01372	1.9
73.88545	0.8
87.57209	0.8
89.02457	1.5
99.39532	0.9
121.02932	11.1
122.06108	1.0
124.07633	9.8
132.04553	25.8
133.05336	30.7
134.06116	3.6
165.04327	6.9
176.03586	1.6
177.04288	8.6
178.05122	3.7
193.06476	1.1
209.03300	4.1
214.12444	1.6
215.11899	2.2
229.09859	1.7
231.47220	1.0
240.10176	0.9
241.09932	1.1
255.11351	1.7
257.12939	38.4
273.09183	1.1
283.10892	15.0
301.11914	20.3
327.09821	1.3
343.70526	1.0
345.10934	100.0
354.68591	0.9
387.12421	1.5
400.40366	0.9
507.16141	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66339	1.5
53.55173	1.2
57.19027	1.5
59.01381	20.8
68.27134	2.1
71.01382	8.3
73.02950	1.4
81.91971	1.5
85.02959	2.9
87.00816	1.5
89.02463	13.1
91.68965	1.5
98.08366	1.6
101.02453	5.8
113.02453	3.8
119.03464	6.1
121.02966	32.1
121.05064	2.3
124.07700	17.4
124.71718	1.7
132.04552	40.4
133.05334	47.4
134.06110	6.0
137.09688	2.0
150.05666	3.6
158.33502	1.5
161.09662	2.5
163.07640	7.5
165.04271	10.4
167.07173	2.4
177.04305	19.1
178.05136	3.1
179.05592	2.7
209.03273	3.3
214.12259	3.7
215.11906	9.1
229.09827	10.0
240.10411	2.5
241.09813	9.1
253.10735	2.0
257.12964	35.1
283.10864	27.8
284.10602	2.7
296.10461	8.2
301.11810	16.1
311.09216	3.8
312.10156	24.2
327.12521	23.3
345.10934	100.0
387.11856	3.7
489.17667	3.3
505.90039	1.8
507.14957	38.5
507.21725	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	507.1641
Annotation	3'-Hydroxymethylrocaglate
Peak:m/z	Relative Intensity
50.99072	4.6
59.01385	25.6
60.60725	4.1
62.54219	5.2
68.07203	4.8
69.43485	5.7
69.68782	5.2
71.01379	5.4
87.00874	9.4
100.49073	6.1
124.19850	5.3
155.39297	5.6
179.70840	6.3
245.06004	5.8
309.15076	31.7
313.69733	6.1
327.16010	44.6
507.16345	100.0
507.22495	23.8
507.28677	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	507.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67785	1.0
59.01379	17.5
59.81766	1.2
60.30503	1.0
62.92063	1.1
71.01367	2.8
72.27139	1.5
73.02931	1.1
85.02919	2.7
101.02404	2.5
123.04517	15.1
124.54630	1.2
134.21652	1.3
135.04492	1.8
137.02371	4.7
151.03934	2.7
153.05577	18.1
163.03986	2.6
165.01776	6.8
165.09219	1.4
181.08594	2.1
184.45781	1.2
205.05034	2.2
211.04579	1.1
221.45326	1.2
242.02046	1.8
257.04514	2.1
272.06561	1.7
287.05478	2.3
295.05585	1.2
313.06995	2.1
327.08774	1.3
338.96671	1.3
345.17136	8.9
360.26999	1.4
371.22781	1.4
389.46411	1.2
433.12506	1.3
449.12485	10.5
459.10791	1.6
463.13409	7.4
463.19528	1.9
474.12955	1.7
475.13300	7.8
477.11838	14.0
491.13617	22.0
492.13828	5.6
507.16159	100.0
507.22626	3.7
507.34894	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	507.1666
Annotation	3'-Hydroxymethylrocaglate
Peak:m/z	Relative Intensity
59.01385	10.1
62.83238	1.0
70.02878	0.8
71.01347	1.1
83.01383	1.1
83.10378	0.9
85.02950	1.1
92.07459	1.0
101.02435	0.9
116.89041	0.8
121.02930	0.9
122.03653	1.1
137.02449	1.4
147.20663	1.0
161.05978	1.2
181.08736	1.1
229.05122	1.9
242.05838	0.9
243.06512	1.5
244.07346	8.2
254.05841	1.6
257.04532	4.1
258.08881	1.0
269.08191	1.5
271.06168	9.9
272.06894	23.5
276.06332	4.4
283.05667	1.3
285.07584	3.6
286.08417	3.9
304.05844	6.6
318.07425	1.3
345.16956	6.2
402.94916	1.1
447.14053	1.2
449.12518	1.3
463.14041	3.6
464.15225	1.4
475.13962	1.8
477.12067	3.9
491.13397	6.2
492.14420	1.4
507.16501	100.0
507.22733	7.2
507.33688	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	507.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39483	0.6
59.01374	3.3
61.98827	0.7
67.00845	0.6
67.01900	0.9
69.03446	1.2
69.17873	0.7
71.01382	3.0
73.19682	0.6
79.74712	0.6
81.03446	1.1
85.02955	3.0
89.02444	4.2
95.01360	0.9
95.05013	1.4
97.02952	11.8
101.02457	3.3
103.03992	0.8
109.02954	3.1
111.00866	1.0
111.04497	4.1
113.02437	1.4
115.55984	0.7
117.11451	0.6
123.04516	57.7
131.03484	0.9
135.04498	1.6
139.04024	1.0
147.06625	14.3
153.05573	100.0
179.05630	0.8
183.06493	0.8
191.05623	22.5
197.04562	53.0
309.11935	0.8
315.07184	3.0
316.36975	0.7
368.10934	0.7
507.13153	3.2
525.14471	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	507.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
64.48360	0.5
65.90345	0.4
67.18968	0.4
71.01376	0.7
82.38356	0.4
85.02944	3.1
87.00881	0.6
89.02435	0.5
101.83549	0.4
127.04000	1.0
142.59097	0.4
146.16901	0.4
191.05624	100.0
258.52484	0.5
264.62402	0.5
283.00546	0.5
471.55588	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	507.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98982	0.3
57.55418	0.3
59.01373	0.7
62.16961	0.4
71.01385	0.7
76.94382	0.4
85.02949	3.3
92.19967	0.4
93.03471	0.5
107.05039	0.8
113.02489	0.5
123.04501	0.5
127.04005	0.7
145.02983	0.9
151.04041	0.8
170.76480	0.5
173.04521	0.5
191.05629	100.0
207.78384	0.4
325.09317	0.5
391.21756	0.5
407.27344	0.4
501.18564	0.5
507.14618	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	507.1874
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
59.01383	28.6
60.55414	2.0
71.01385	20.9
73.48174	2.1
85.02946	2.2
87.61089	2.1
88.05585	2.2
89.02443	22.2
90.89237	2.2
95.70159	2.5
101.02418	10.2
113.02452	10.4
119.03512	10.2
145.02937	8.7
167.07118	3.7
175.20763	2.0
179.05602	3.9
256.11099	4.0
267.06219	2.0
268.07684	2.5
282.08936	2.1
283.09930	2.7
284.10443	14.4
295.09708	4.2
296.10544	25.3
311.09317	15.1
312.06512	4.3
312.10077	100.0
315.12039	3.1
327.08817	3.8
327.12430	65.0
345.10809	3.7
462.15167	3.3
474.15372	13.2
477.17642	11.1
489.17685	24.4
507.18625	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	507.1872
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.35940	1.4
51.95938	1.5
59.01134	2.3
59.01386	26.9
60.48328	1.6
71.01379	15.6
80.00371	1.8
89.02450	23.6
90.38769	1.5
95.29630	1.6
96.54620	2.0
101.02438	10.7
113.02434	4.4
119.03497	10.3
121.02898	2.2
127.78666	2.0
134.03725	25.9
136.19749	1.8
143.03490	2.2
146.03738	49.0
147.04532	17.8
149.06068	37.5
161.04620	3.7
161.06067	42.9
164.04802	33.6
167.07123	21.6
175.07109	1.6
179.05600	26.0
179.07143	100.0
259.09821	2.9
307.18262	1.8
327.16034	8.1
329.12418	16.3
345.17096	20.9
477.17630	17.4
489.17804	13.2
507.18903	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	507.1874
Annotation	Hypochoeroside E
Peak:m/z	Relative Intensity
52.85509	1.0
59.01391	32.1
64.93054	1.1
67.29617	0.9
71.01375	6.1
73.02927	5.0
85.02950	1.1
89.02454	8.8
89.02915	0.9
96.95974	1.4
108.02218	1.1
108.84419	1.2
119.05006	2.4
121.02951	1.3
123.04511	5.4
124.01652	1.4
135.04529	14.6
136.04453	1.1
136.05319	16.9
147.04518	4.7
151.03931	1.6
151.07605	6.3
162.22098	1.0
165.09177	1.4
194.05875	7.7
195.06647	90.3
199.27518	0.9
201.30827	1.2
205.08656	1.0
209.08194	12.8
317.09018	1.0
345.16949	6.9
365.54544	1.1
469.23315	1.1
490.05460	1.1
507.18637	100.0
507.33981	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	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30081	1.1
60.99312	11.2
62.83403	0.9
72.94475	0.9
75.55959	1.2
88.98805	100.0
95.65794	1.0
103.13348	1.2
104.02944	1.1
144.42358	1.2
417.21289	5.7
533.48987	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
71.01379	0.6
72.71667	0.4
77.72813	0.4
83.14116	0.5
109.69933	0.6
121.02956	100.0
169.32974	0.5
202.60574	0.5
288.77563	0.5
312.10052	1.0
327.12436	0.6
333.91785	0.5
345.10406	0.6
401.05719	0.5
407.47934	0.6
482.21964	0.5
507.16486	0.8
516.30182	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
71.01379	0.6
72.71667	0.4
77.72813	0.4
83.14116	0.5
109.69933	0.6
121.02956	100.0
169.32974	0.5
202.60574	0.5
288.77563	0.5
312.10052	1.0
327.12436	0.6
333.91785	0.5
345.10406	0.6
401.05719	0.5
407.47934	0.6
482.21964	0.5
507.16486	0.8
516.30182	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	507.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64224	1.0
59.01387	17.6
59.57581	1.0
59.69112	1.1
61.98831	1.4
71.01386	7.5
80.02396	1.1
85.02973	1.8
89.02442	10.7
91.11645	1.2
91.69165	1.1
92.20058	1.5
101.02473	4.5
113.02451	5.0
118.83955	1.2
119.03523	5.4
121.15598	1.1
134.03761	10.4
146.03745	23.8
147.04564	6.0
149.06050	20.2
161.06065	18.9
164.04784	19.0
165.09215	10.2
167.07146	10.0
179.05644	11.0
179.07100	49.7
193.08702	1.3
205.08736	5.3
231.10217	3.7
233.11998	1.2
257.11783	1.1
259.09708	21.2
260.10641	2.2
273.03964	1.5
283.13571	1.6
283.16977	2.2
285.07730	2.4
285.14713	1.1
302.03375	1.4
309.15155	5.8
312.13870	4.9
327.16040	36.5
329.12601	6.1
345.17084	100.0
389.07791	1.2
477.18158	6.8
489.17981	7.1
507.11276	5.8
507.22583	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
67.36389	0.6
70.78284	0.6
71.01373	5.0
73.02965	1.0
85.02943	1.6
89.02454	0.8
92.20164	1.1
101.02445	6.4
113.02451	3.5
136.72098	0.7
161.04546	1.7
235.87778	0.8
314.15320	1.6
315.16003	75.9
327.15912	0.7
344.16229	3.9
345.17117	100.0
447.22351	22.3
461.23755	1.1
507.22427	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30888	0.8
53.72727	0.7
62.50972	0.8
64.83696	0.7
83.43642	0.7
84.26162	0.8
85.88275	0.6
87.95322	0.7
92.19408	3.1
112.18043	0.7
118.81059	0.7
131.97758	0.7
145.02966	8.5
146.03741	9.4
160.62483	1.1
161.06058	5.1
164.04803	6.1
177.67705	0.8
179.07149	12.4
181.89160	0.7
217.08667	4.4
231.10272	50.3
285.15018	1.5
313.14526	26.5
327.16046	9.0
328.16824	100.0
329.17593	6.0
415.25058	1.3
438.32059	0.8
489.22668	3.2
507.23373	1.6
507.29984	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	507.2391
Annotation	CHEBI:68154
Peak:m/z	Relative Intensity
59.01378	16.0
59.09366	3.1
61.50616	2.8
66.16190	2.7
76.58979	2.9
80.50272	2.9
92.20058	2.8
92.56779	2.8
134.03688	6.2
145.67775	3.0
146.03745	51.9
149.06041	17.7
161.06100	31.1
164.04807	48.9
179.07141	91.1
187.07620	12.5
239.10716	3.3
241.12282	14.5
309.14941	34.4
311.16568	53.5
327.15955	100.0
328.16595	3.7
329.17752	17.7
345.17065	5.0
489.22650	33.8
507.23840	33.2
507.32700	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	507.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05206	0.8
78.01671	0.8
78.23006	0.8
81.34336	0.9
85.96202	0.7
135.75922	0.9
137.53297	0.8
146.03754	7.6
153.29134	0.8
161.06087	4.3
164.04800	5.6
175.03958	1.3
179.07138	14.9
201.09669	0.9
208.11925	1.0
216.07950	1.0
217.08661	1.9
231.07964	2.0
231.10254	46.4
243.35574	0.9
285.14893	1.5
299.16275	0.9
308.45309	0.8
313.14484	26.0
327.16077	9.2
328.16818	100.0
329.17545	6.6
455.11029	0.9
462.24924	1.0
489.22934	4.9
507.23651	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.2
65.19328	1.2
71.01385	25.9
73.02937	8.7
73.21737	1.1
75.26999	1.3
79.33549	1.3
80.42252	1.3
83.01392	1.4
85.02955	12.5
89.02450	16.3
99.00851	1.8
101.02431	22.0
104.64925	1.2
113.02436	15.2
122.09210	1.3
130.97244	1.2
131.03487	7.9
147.12230	1.3
149.01648	1.5
149.04617	2.0
161.04553	7.4
198.38242	1.4
315.18201	5.7
327.35547	1.5
347.53650	1.5
447.22397	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	507.2728
Annotation	Kadlongilactone E
Peak:m/z	Relative Intensity
55.58448	0.4
56.92669	0.4
59.01377	0.7
59.10308	0.4
61.87708	0.4
78.95907	6.6
88.12569	0.5
96.57482	0.5
114.35922	0.5
120.73775	0.5
152.99586	32.3
158.03291	0.5
171.00629	0.8
227.03302	2.5
279.23297	100.0
282.25159	2.4
507.27240	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	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70299	0.5
59.01403	0.6
59.17162	0.5
70.81111	0.5
78.95905	5.1
80.20074	0.5
82.88381	0.6
92.19482	1.0
130.64668	0.5
152.99580	17.9
161.02434	3.6
171.00642	1.1
227.03133	1.0
269.27838	0.6
275.09958	0.7
279.23300	100.0
281.24667	1.2
282.25220	3.7
321.80991	0.7
507.27228	55.5
517.39337	0.7
533.69257	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67598	0.5
59.01376	0.6
71.79260	0.5
78.95896	2.8
79.82906	0.6
83.17551	0.5
97.23591	0.5
152.99590	12.5
171.00694	0.6
245.04213	0.7
261.22189	0.7
279.23309	100.0
333.50858	0.7
507.27280	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27862	0.5
76.04597	0.5
78.42628	0.6
119.05016	96.6
122.91884	0.6
145.02959	2.1
163.04008	100.0
319.34323	0.8
345.20709	0.6
405.00919	0.6
507.29657	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	507.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25575	0.5
54.56186	0.5
54.62032	0.5
54.90004	0.4
59.01378	1.0
59.64657	0.6
76.65521	0.5
78.07486	0.5
85.74482	0.6
119.05021	97.8
136.03746	0.7
145.02919	2.3
163.04010	100.0
210.23647	0.6
231.10117	1.0
313.14478	1.0
328.16858	5.9
355.51001	0.6
507.29648	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08691	1.0
56.31153	1.0
59.01385	100.0
59.87954	1.1
60.95818	1.0
74.49405	1.2
85.78400	1.1
137.02388	1.4
165.01884	2.3
177.01950	6.6
179.31216	1.5
344.16223	1.6
345.17026	13.3
507.23102	10.3
507.32861	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	507.3327
Annotation	Makisterone D
Peak:m/z	Relative Intensity
54.04074	0.8
59.01383	100.0
61.26208	0.7
89.89701	0.9
192.45868	0.8
223.13316	1.2
344.16309	1.0
345.17291	1.7
431.20786	1.0
463.30606	1.7
507.21988	1.8
507.33704	11.2
516.32965	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	507.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.69984	0.6
68.82417	0.6
71.01368	1.3
85.02950	0.7
85.20710	0.6
87.81117	0.6
89.02444	1.0
101.02437	1.3
197.11806	0.8
219.79787	0.7
264.94263	0.8
272.10556	1.1
301.18024	1.6
308.68332	0.7
309.20795	1.0
327.15918	2.7
343.15762	0.9
344.16232	9.1
345.17096	83.8
428.27869	0.7
507.22308	50.0
507.33533	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	507.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54085	0.8
52.54732	0.9
55.58685	0.9
59.01385	100.0
63.25541	1.1
63.44443	0.9
81.47731	1.0
84.34600	0.9
98.13136	1.0
122.03740	2.2
137.02429	6.3
139.03998	8.6
149.02367	1.1
165.01959	13.0
177.01958	1.1
179.03433	1.2
180.22311	1.1
343.16641	1.1
345.17123	21.9
463.21362	6.5
507.20016	9.1
507.33023	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	507.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01384	85.7
61.99530	1.0
66.52989	0.9
70.62659	1.3
71.01376	17.4
73.02942	5.8
85.02941	13.6
88.49297	1.2
89.02444	12.9
93.03432	1.3
99.00881	2.0
101.02448	12.9
111.00912	1.7
111.08158	24.9
113.02427	10.7
113.06089	2.2
115.07630	1.7
123.04520	1.9
125.02477	1.3
143.10762	1.8
145.02931	4.8
153.05499	1.3
155.10806	1.9
161.04582	6.3
163.03986	1.4
165.09207	12.2
167.03328	1.2
181.08687	4.0
187.13411	15.5
193.08655	7.2
273.14877	1.4
283.17035	2.5
299.16537	1.4
301.18076	4.9
309.15329	1.2
315.15973	4.9
319.19107	4.3
327.15970	37.1
345.17090	100.0
387.10770	1.5
447.22293	32.3
447.31192	36.1
507.22253	75.2
507.33057	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91675	0.6
57.03452	3.6
59.01389	6.4
59.01637	0.8
61.24041	0.7
71.01380	3.0
73.02947	5.8
73.21674	0.7
83.01362	0.8
85.02956	13.5
85.93866	0.7
87.04510	4.5
88.10510	0.7
89.02419	1.0
90.96263	0.9
97.06555	1.0
103.54427	0.7
113.02468	1.0
113.09724	12.6
115.11275	1.4
120.52122	0.8
121.03010	0.9
123.73923	0.7
125.06087	1.7
125.09742	5.2
139.11296	14.7
143.10805	12.5
151.11273	11.8
160.05293	3.3
161.05740	1.1
166.06337	3.9
169.12288	5.3
181.08682	1.4
187.13408	38.5
211.14905	0.9
233.15567	1.0
245.15176	1.1
249.28345	0.8
267.13852	2.7
273.15018	1.5
283.17084	7.7
285.15018	3.0
289.54065	0.7
297.11359	0.8
301.18079	14.2
309.14764	1.0
319.19162	24.6
327.16028	5.9
345.17065	4.8
357.12473	4.4
373.20264	0.9
447.22244	1.8
453.30042	0.9
491.30112	0.9
507.22757	6.1
507.33286	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21667	0.5
55.01887	2.8
57.03464	1.3
59.01385	38.7
61.80448	0.6
61.98845	1.3
69.14328	0.6
71.01380	25.1
73.02950	11.1
75.00879	1.0
83.01382	6.6
85.02950	17.1
87.00885	1.4
87.92262	0.8
88.98811	1.5
89.02438	7.0
95.01395	1.4
99.00898	4.7
99.04537	0.8
101.02444	30.0
111.00920	0.9
113.02434	14.8
119.03490	1.7
122.03774	1.6
125.02488	1.1
129.01955	0.9
137.02477	3.3
139.04030	0.9
159.03056	1.4
161.04573	4.5
165.01933	6.0
205.05191	1.0
299.16687	2.8
299.25952	3.0
301.18225	1.0
317.17578	1.5
327.16254	1.1
345.17120	16.8
345.26443	1.6
345.30060	5.3
385.47086	0.7
447.22757	0.8
447.30945	1.4
463.21692	3.4
493.81839	0.9
498.60269	0.8
507.21948	16.9
507.35684	100.0
531.38806	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	508.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48195	1.3
58.02984	2.8
73.60027	1.2
78.00085	1.3
92.20078	1.5
97.23596	1.3
114.09256	2.4
116.07172	93.4
116.57909	1.2
125.02448	3.1
158.06912	3.5
158.08226	100.0
182.35060	1.3
202.07262	7.8
216.65028	1.6
251.53735	1.4
255.67612	1.7
269.43152	1.5
362.44229	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	508.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98836	100.0
71.01389	1.8
79.40855	0.7
84.00887	1.5
85.02932	1.3
86.94367	0.7
89.02442	1.2
101.02433	1.2
113.02444	1.1
135.02101	0.7
135.62932	0.9
140.19957	0.7
147.08176	0.8
161.04555	1.7
193.37019	0.8
212.62711	0.7
235.83812	0.9
316.18320	1.4
324.88647	0.9
328.16650	1.2
345.17188	1.6
346.17474	3.9
448.22592	10.9
508.11896	0.9
508.22458	5.0
508.33670	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	509.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
72.99303	15.4
75.00874	26.7
80.07515	1.4
83.78524	1.4
100.36239	1.5
100.98778	7.0
109.02934	3.2
112.98817	2.6
118.99855	100.0
123.04565	1.8
125.02452	1.7
137.02438	1.5
139.03981	1.6
149.02388	2.5
151.04028	2.5
179.03534	1.9
203.07074	3.2
205.05107	5.4
289.07156	7.3
361.09244	13.1
433.07712	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	509.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70112	0.9
72.99305	17.2
75.00871	22.4
83.01382	1.1
88.37099	0.7
97.02938	1.0
100.98810	5.6
109.02946	3.6
112.98825	1.8
118.99854	100.0
121.02927	0.8
123.04503	1.7
124.06345	0.9
125.02416	4.0
137.02438	1.9
139.04010	1.1
149.02489	1.0
151.04024	1.7
161.02475	1.1
163.00346	0.8
165.05606	0.9
179.03537	1.8
191.03581	0.8
193.05000	1.5
203.07222	3.2
205.05086	4.4
215.07175	1.2
245.08162	3.4
289.07214	6.1
345.09863	1.1
361.09335	13.5
378.02451	1.0
415.06702	1.0
433.07687	5.9
457.97333	1.0
465.10324	1.6
470.13251	0.9
510.71149	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	509.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29092	1.4
57.16891	1.7
58.71766	1.4
60.24808	1.5
68.99155	1.7
72.99313	16.4
75.00879	30.3
98.03165	1.7
100.98767	3.1
109.02952	6.7
112.98760	2.2
116.07201	2.0
118.99854	100.0
125.02489	3.6
149.02377	2.6
151.04013	2.4
161.02487	2.0
165.05586	2.1
167.98137	1.7
171.06816	2.0
203.07037	3.0
205.05057	3.4
249.02956	1.7
289.07291	6.0
299.35629	1.9
361.09335	19.2
406.14267	2.7
433.07748	9.5
502.12213	2.4
509.12790	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23502	0.8
57.03431	0.9
59.01386	33.8
59.01682	1.2
60.51336	0.8
71.01382	14.5
73.02945	1.3
80.75954	1.0
83.71908	0.9
84.15531	0.8
84.30025	0.9
85.02951	2.2
87.00858	1.1
89.02438	25.8
90.86479	1.0
95.01392	2.4
101.02444	17.4
113.02453	6.1
119.03491	11.0
125.02457	11.8
133.17162	0.9
137.09715	17.6
143.03494	1.0
146.03731	1.1
149.04706	1.1
150.03279	1.9
151.00323	1.1
152.01115	9.0
155.10788	39.5
161.05988	1.4
162.03278	1.0
165.02031	2.4
165.05576	3.5
165.07690	26.0
167.07146	46.6
169.12355	5.5
178.91371	0.9
178.99844	7.7
179.05637	2.0
180.00693	6.2
181.08733	1.8
199.09741	13.4
222.67262	1.2
223.09814	2.3
237.54471	1.1
247.27710	1.3
273.03979	1.2
304.06070	3.4
319.08273	2.5
327.12848	8.6
329.06573	2.0
347.07785	22.6
347.14935	11.0
509.13113	36.8
509.22339	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	509.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60152	1.3
59.01374	18.4
66.34294	1.2
71.01395	10.4
73.02940	2.8
79.22336	1.6
83.05035	2.8
85.02934	6.3
89.02426	12.0
93.03455	44.5
99.00885	2.2
101.02437	8.5
111.00871	3.0
111.04509	19.9
113.02425	1.9
119.03525	1.5
121.98275	1.7
129.01952	2.6
137.02438	91.2
142.99858	2.6
143.21056	1.5
155.03497	38.7
173.00951	2.2
173.04578	23.4
180.38414	1.4
191.05641	23.5
335.09863	100.0
481.90894	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	509.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55530	0.5
70.75237	0.5
71.01366	0.8
78.02785	0.5
89.02440	0.5
101.02462	0.5
101.57262	0.5
118.75034	0.6
121.02949	0.8
123.04509	2.6
131.22459	0.6
146.47095	0.5
165.04036	3.8
167.02182	6.4
167.03488	100.0
185.09914	0.5
191.05647	2.4
219.67657	0.6
258.90158	0.5
329.08798	0.7
341.10748	0.9
370.18994	0.6
499.44656	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	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92792	1.6
54.59246	2.0
59.01381	21.9
61.24900	1.6
63.89845	1.7
70.03160	1.7
71.01382	14.9
72.14819	1.9
76.14301	1.6
89.02439	8.8
91.01854	2.9
92.19487	2.8
96.39272	2.1
101.02435	9.0
108.02164	3.3
113.02428	4.4
119.03476	3.2
121.02931	3.9
122.03721	4.0
123.04507	29.3
125.02405	2.4
135.04431	3.0
147.14105	1.8
149.06099	2.2
151.00435	2.1
152.01105	2.5
153.01950	3.9
161.06155	2.4
164.04796	8.0
165.05554	8.0
166.02710	10.4
167.03493	100.0
167.07179	19.6
179.07162	3.1
181.05023	14.5
181.08649	4.2
194.02231	4.5
195.02969	10.3
195.06674	3.3
209.04570	55.2
255.04999	3.3
269.06671	8.2
310.14850	2.2
329.13950	2.5
347.14966	30.0
509.15985	94.8
509.29037	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	509.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05884	0.8
87.00885	1.5
104.14833	1.0
107.05016	1.1
108.67296	0.9
113.98016	1.1
119.04984	2.2
121.02950	7.1
134.03743	8.8
135.04526	100.0
139.04041	2.1
147.04532	6.2
151.03992	2.2
152.04767	1.2
165.05580	17.4
179.03500	1.8
180.04263	1.6
195.06619	1.7
241.03279	1.0
332.20071	0.9
347.11288	11.6
347.18506	1.2
401.12390	26.3
419.90146	1.1
424.47763	1.0
472.01282	0.9
509.23853	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	509.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03324	1.3
55.82140	1.3
58.71728	1.4
58.72013	1.3
59.01392	17.0
63.83934	1.6
68.75729	1.6
70.01833	1.5
71.01373	8.2
73.02947	3.2
73.52067	1.6
85.02934	2.1
89.02438	8.6
97.06580	10.7
101.02436	3.0
102.08381	1.7
107.05002	3.2
109.02927	3.3
115.07679	1.7
121.02910	7.5
122.03731	3.9
123.04520	1.8
125.02450	1.6
127.07642	3.2
135.04521	27.3
137.06059	8.8
137.09720	2.2
145.02940	38.7
146.03725	2.5
147.04550	2.2
152.01184	3.4
161.06047	8.8
165.05539	7.5
178.99786	2.1
180.07925	6.2
181.05112	17.8
181.08727	5.9
189.11307	17.5
192.07893	4.0
195.06644	46.1
209.08159	1.7
235.06081	11.4
299.12762	2.1
314.11511	8.4
317.13974	37.2
329.14017	21.5
332.22980	2.1
341.10352	44.2
347.07782	6.5
347.15012	100.0
491.14526	2.2
509.20825	44.5
509.31155	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51138	0.6
51.32560	0.6
51.47771	0.6
53.97158	0.5
54.30317	0.5
57.03435	0.5
59.01386	7.5
59.01633	0.9
59.99681	0.5
67.04745	0.6
70.32321	0.6
71.01377	4.4
73.02938	0.9
83.94582	0.6
85.02960	3.1
89.02441	1.6
90.69717	0.6
101.02432	5.0
102.25257	0.7
103.04017	20.0
113.02418	1.1
118.98460	0.7
121.02988	0.7
122.03783	1.0
125.02449	2.6
137.09744	0.9
147.06635	13.7
152.01144	2.9
152.11127	0.7
155.10785	10.9
165.01857	0.8
165.07706	0.8
167.07127	4.3
175.67609	0.7
178.99852	2.4
180.00659	0.9
181.08708	100.0
197.64207	0.7
199.09743	1.4
214.01971	0.7
227.37747	0.6
247.92947	0.7
276.50351	0.8
284.32327	0.6
314.04352	1.4
323.60272	0.7
325.13031	3.0
329.06836	1.1
343.14005	25.6
347.07794	5.7
429.17697	11.2
473.20340	11.0
509.12991	10.7
509.21906	15.5
509.29709	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	509.2032
Annotation	Lactoside B
Peak:m/z	Relative Intensity
57.22120	1.1
59.01385	18.6
59.76954	0.9
61.98815	4.1
71.01382	10.7
79.03614	1.1
85.02921	2.1
87.00854	3.8
89.02437	10.2
90.15501	0.9
101.02416	6.5
108.68168	0.9
113.02415	4.1
119.03458	4.0
121.02946	16.8
122.03738	8.5
123.04531	1.7
128.97566	1.1
135.04478	1.6
148.05284	1.7
149.06067	4.0
151.03931	1.1
162.06825	4.1
165.05551	13.0
179.07092	1.8
180.07916	1.2
181.08662	2.3
183.32596	0.9
193.08621	2.2
201.20990	1.0
209.08220	1.5
210.60185	0.9
285.28470	1.1
299.12753	2.2
306.61389	1.2
314.11597	1.4
317.13934	17.6
329.14420	7.5
329.16913	7.2
332.12527	1.5
343.12445	1.0
347.14987	85.9
347.18643	7.1
371.13162	1.8
403.12714	1.0
404.57956	1.2
479.19247	11.3
491.18979	5.1
509.20142	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	509.2032
Annotation	Lactoside B
Peak:m/z	Relative Intensity
56.66852	0.7
57.32512	0.7
59.01376	3.7
65.86214	0.9
66.09443	1.0
71.01371	1.0
76.46083	0.9
104.97490	0.8
118.99853	0.8
121.02943	1.5
122.03738	1.6
123.04529	0.8
135.04507	5.1
149.06108	1.4
161.06027	1.3
163.03989	1.1
175.02527	1.0
180.07974	7.8
181.08772	6.1
192.08028	1.1
193.04974	0.8
193.08730	4.0
194.05840	4.5
195.06691	3.6
209.08188	4.5
212.06885	1.5
299.64197	1.1
302.23514	1.0
314.11679	6.2
317.10220	1.7
317.13962	53.7
329.13992	26.2
346.13541	1.1
347.15033	100.0
454.45767	1.0
509.20319	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29405	0.9
59.01387	13.2
59.78745	0.8
71.01398	8.2
72.75771	1.1
73.02977	1.1
83.01363	1.4
89.02441	2.1
92.20012	1.3
101.02433	9.7
113.02478	1.7
119.03449	1.1
135.04517	5.3
149.06094	6.4
164.04826	1.3
167.07140	79.1
179.07091	1.5
196.45135	0.9
202.63989	1.1
206.54338	1.0
239.02643	1.0
298.70325	1.1
311.11038	1.1
329.12451	100.0
347.18695	1.2
509.12311	4.3
509.19855	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58108	2.3
59.01100	3.6
59.01386	86.9
67.57035	2.1
70.05846	2.1
71.01378	44.7
73.02924	2.4
76.03107	2.1
85.02942	5.3
87.66139	2.4
89.02438	76.8
91.14939	2.3
101.02430	5.1
108.68777	2.7
113.02430	2.5
127.11391	3.0
131.03488	8.3
135.04512	2.7
142.10284	2.7
145.02975	5.3
146.03705	20.7
149.04553	19.0
155.10701	3.2
161.02383	3.5
161.06065	34.3
162.03233	99.9
165.05608	2.6
166.06349	41.7
167.07137	36.3
177.05569	100.0
177.07106	3.9
180.04256	2.4
181.08682	17.7
195.06616	5.2
312.09949	2.6
327.12454	41.4
374.00626	2.3
402.75031	2.5
509.20105	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32882	0.6
58.25524	0.7
59.01385	27.3
60.82094	0.8
66.31930	0.7
71.01381	11.3
73.02973	0.8
77.15476	0.7
79.72624	0.7
83.05029	1.4
85.02953	3.0
89.02438	33.0
101.02435	16.9
113.02438	9.4
119.03500	13.9
125.02419	3.4
137.09727	18.6
138.74895	0.8
143.03427	0.9
147.06616	0.9
152.01108	2.8
155.10780	32.8
161.04578	1.5
165.07669	27.5
167.07098	9.9
169.12352	1.9
178.99718	0.9
179.05621	1.5
181.08749	1.2
199.09801	12.1
206.29012	0.8
206.40718	0.8
207.81477	0.8
223.09746	5.8
327.12961	8.2
329.06778	1.3
347.07727	5.3
347.15060	3.3
509.13351	8.1
509.22400	100.0
515.41376	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	509.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01396	1.0
72.67155	0.6
75.71021	0.7
83.25766	0.6
85.02925	0.8
86.26271	0.6
101.02436	1.1
115.07080	0.7
135.94711	0.6
197.98550	0.6
209.62614	0.7
299.16589	0.8
329.17615	13.4
347.18533	3.8
407.26849	0.6
499.07925	0.7
509.23410	9.6
509.30750	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	509.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60417	1.2
57.03466	1.7
59.01387	100.0
71.01385	6.6
83.05038	2.1
85.02974	2.5
92.20030	2.2
97.02943	3.0
109.06617	1.9
121.06604	5.7
123.08149	11.1
137.06113	28.9
147.08189	2.5
151.07654	1.6
165.09189	14.2
175.11214	2.6
191.10805	2.4
217.12360	3.7
221.11829	12.6
233.15443	1.9
247.13156	1.6
275.16492	2.3
291.16003	2.4
299.16495	8.9
299.66101	1.6
317.17413	11.2
329.17673	1.8
341.17505	3.4
347.18771	2.2
359.18661	7.7
370.45880	1.4
389.19745	12.1
407.20883	3.3
410.23648	1.5
449.21707	3.7
509.23718	21.6
523.10950	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	509.2393
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
60.04966	0.6
61.69236	0.6
72.11127	0.6
129.66434	0.7
137.74675	0.8
143.45932	0.7
144.00699	0.9
221.88243	0.8
298.15756	1.2
299.16522	47.7
311.16388	1.1
317.17447	3.5
329.17596	98.8
346.17889	3.7
347.18655	86.2
466.70358	0.8
509.23917	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	509.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06343	0.5
51.89745	0.5
55.64472	0.5
59.01393	2.0
69.81757	0.5
71.01374	1.3
73.02978	0.8
85.02909	0.6
89.02459	0.6
113.02444	0.8
121.02950	100.0
122.03288	0.7
127.68486	0.7
135.04543	2.2
165.05589	1.0
173.38176	0.7
191.33984	0.8
224.64461	0.6
234.85599	0.6
299.12863	2.5
461.18192	3.7
475.58856	0.7
504.73599	0.7
509.19962	3.8
509.29684	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	509.2396
Annotation	Pachyclavulide A
Peak:m/z	Relative Intensity
54.84889	3.1
56.65231	3.1
58.25491	3.5
59.01102	5.3
59.01384	100.0
59.07817	3.5
60.16008	3.2
71.05016	55.2
94.07619	4.1
95.14124	3.4
97.02959	5.9
99.95203	3.5
102.62625	3.6
137.06078	8.6
141.63420	3.8
156.16975	3.6
165.09216	13.7
186.05753	3.9
221.11821	7.3
313.55399	4.0
348.13156	4.2
393.18936	8.6
403.08130	4.6
405.23065	5.9
449.21808	5.4
509.07010	6.0
509.24457	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2759
Annotation	16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene
Peak:m/z	Relative Intensity
51.31724	3.2
54.01627	3.4
59.01373	25.1
65.87032	3.5
77.09741	4.2
78.65284	3.8
85.02934	4.5
86.83936	3.7
103.21327	4.5
220.78194	4.7
246.95462	4.0
347.18533	20.8
354.70471	4.6
463.26907	20.9
483.54022	4.8
509.28018	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	509.2886
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
53.68541	1.1
57.45657	1.2
58.65969	1.3
63.30424	1.3
72.42722	1.3
78.95903	1.9
141.53937	1.2
152.99614	10.1
190.58678	1.5
236.27774	1.3
281.24869	100.0
297.79471	1.5
509.28918	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	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71428	0.5
59.01408	0.6
60.10753	0.5
60.81905	0.5
62.58500	0.5
63.18073	0.5
63.92247	0.5
67.68663	0.6
77.67217	0.5
78.95898	7.7
81.29970	0.6
92.20096	1.3
152.99586	28.0
159.87372	0.6
171.00665	1.1
182.86494	0.6
227.03238	2.7
281.24857	100.0
312.38440	0.6
468.63513	0.6
509.28830	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72195	0.6
59.01364	1.2
65.31634	0.6
66.46098	0.7
67.79367	0.7
78.95883	5.7
80.06493	0.7
96.03736	0.7
118.64671	0.8
135.45122	0.8
149.74960	0.8
152.99577	27.4
227.03246	1.4
281.24869	100.0
294.40451	0.8
315.50024	0.8
354.80228	1.0
384.57639	0.8
509.28809	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2889
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
60.84682	0.5
61.69172	0.5
70.97578	0.5
78.95911	6.2
152.99597	27.6
171.00598	0.8
227.03197	2.5
245.04202	0.8
281.24890	100.0
418.55728	0.7
509.28925	54.0
516.90045	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00869	0.7
51.24909	0.8
52.02202	0.8
53.17728	0.7
60.99748	0.9
61.94689	0.9
74.98940	1.0
78.95898	3.6
81.04263	1.0
86.21365	1.0
88.78088	0.9
152.99614	16.7
186.22659	0.9
281.24869	100.0
288.21140	1.0
503.35489	1.0
509.28857	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67282	1.0
53.71123	1.0
59.01386	48.6
71.01382	23.1
73.02944	5.1
74.31638	1.0
83.01379	4.2
85.02956	8.4
89.02435	18.2
95.01395	1.4
99.00883	1.5
101.02449	19.4
110.92760	1.1
111.00882	1.6
113.02441	11.1
119.03459	4.5
121.02950	2.2
129.09097	1.4
132.22473	1.1
134.03773	2.3
135.04541	25.2
139.11288	1.9
151.04048	1.8
155.08257	1.4
157.12335	1.1
165.05592	7.4
167.03464	1.2
179.03485	1.5
179.05589	1.6
181.08632	1.3
201.11325	5.6
234.77992	1.0
283.22803	2.2
299.16370	1.2
317.17545	7.0
329.13931	1.2
329.17355	7.5
329.23288	17.8
347.11240	4.0
347.14911	2.0
347.18616	30.8
347.24289	13.2
361.25769	8.0
373.26187	1.3
391.27084	13.9
401.12354	6.0
449.27328	1.2
491.28537	1.5
509.23486	49.9
509.29727	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	509.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.8
59.01388	22.1
60.59333	0.7
61.10304	0.6
63.94727	0.6
70.92892	0.6
71.01383	9.4
73.02956	3.1
75.00850	0.8
83.01376	1.3
85.02943	4.5
89.02435	8.5
90.37809	0.6
95.01370	0.7
101.02441	10.1
111.00864	1.6
113.02440	4.3
119.03479	2.8
119.54568	0.6
121.02948	0.6
134.03746	1.1
147.04065	0.8
149.06123	0.8
167.07095	0.8
179.05724	0.8
179.07161	4.1
180.07492	1.1
317.17590	4.0
327.21838	0.7
329.17398	1.5
329.23352	12.3
345.22681	0.7
346.17569	0.7
347.18631	14.2
347.24420	40.6
403.12192	0.7
465.23190	0.8
482.50186	0.7
491.28842	4.0
509.23428	9.4
509.29810	100.0
512.48053	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	509.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14334	3.0
58.28890	3.1
59.00373	2.8
59.01386	77.7
63.35404	2.4
71.01400	5.3
112.40086	3.4
123.04530	4.0
125.73022	3.1
171.99327	3.1
181.08635	5.4
203.03362	3.3
267.19794	6.6
268.19949	18.1
293.24597	3.5
294.17899	4.0
303.19501	16.2
329.17542	15.6
343.13940	4.0
347.18591	31.8
385.16409	4.1
448.12180	3.1
463.30106	4.5
505.74054	2.8
509.23508	100.0
509.31284	59.7
510.21112	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	509.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16863	1.6
59.01385	78.1
61.98841	2.0
71.01383	21.0
73.02930	3.1
75.00884	4.3
85.02948	8.4
87.00844	2.5
89.02447	12.8
97.02975	1.8
99.00849	2.6
101.02454	17.3
106.49841	1.8
110.15345	1.8
113.02457	9.5
119.03517	2.1
123.04448	3.3
137.02414	3.6
147.32106	2.0
153.05527	3.0
181.08672	2.8
183.36499	2.1
285.18951	2.9
299.16568	28.7
303.15973	10.6
308.65622	2.2
317.17551	7.3
328.16589	2.7
329.14197	4.2
329.17361	17.4
347.14658	12.6
347.18808	28.6
347.23172	2.3
391.26962	2.3
449.27444	7.5
463.30405	2.9
509.23566	100.0
509.30737	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68789	1.3
53.71713	1.3
59.40716	1.4
61.98836	50.3
64.28799	1.4
78.42397	1.7
98.58105	1.7
120.76278	2.0
121.18233	1.4
151.00360	1.8
217.44049	1.6
227.03470	11.4
255.02951	31.4
256.03833	7.8
284.03256	94.7
285.04050	21.2
290.36401	1.6
309.60678	1.6
327.05215	2.4
447.09357	100.0
530.60553	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	510.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31394	0.6
51.97012	0.7
59.01379	16.0
60.01705	0.8
60.57956	0.8
61.98841	12.3
71.01376	3.4
73.02934	16.5
73.26833	0.8
74.35191	0.7
82.49644	0.9
85.02945	0.9
89.02406	1.4
97.06576	1.5
101.02451	4.0
108.38583	0.8
113.02438	1.4
125.06065	3.9
136.55174	0.8
137.02423	0.9
143.07137	100.0
155.10779	58.2
175.61717	0.9
199.09784	11.7
217.10808	92.7
231.12256	0.9
241.10741	0.8
259.11868	28.0
265.38156	0.9
275.91751	0.9
289.12933	4.7
319.13931	18.8
330.17969	1.8
348.19025	1.6
363.04257	1.0
379.16110	91.0
510.24918	8.8
510.30753	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	510.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31394	0.6
51.97012	0.7
59.01379	16.0
60.01705	0.8
60.57956	0.8
61.98841	12.3
71.01376	3.4
73.02934	16.5
73.26833	0.8
74.35191	0.7
82.49644	0.9
85.02945	0.9
89.02406	1.4
97.06576	1.5
101.02451	4.0
108.38583	0.8
113.02438	1.4
125.06065	3.9
136.55174	0.8
137.02423	0.9
143.07137	100.0
155.10779	58.2
175.61717	0.9
199.09784	11.7
217.10808	92.7
231.12256	0.9
241.10741	0.8
259.11868	28.0
265.38156	0.9
275.91751	0.9
289.12933	4.7
319.13931	18.8
330.17969	1.8
348.19025	1.6
363.04257	1.0
379.16110	91.0
510.24918	8.8
510.30753	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25106	0.4
50.59956	0.5
52.88799	0.5
55.87948	0.5
61.98835	100.0
63.88262	0.5
67.68137	0.6
89.88451	0.5
162.71652	0.6
200.67508	0.6
215.22403	0.7
425.05978	0.6
474.72763	0.6
510.22351	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33594	0.7
61.98837	100.0
68.73621	0.7
69.22726	0.8
81.24599	0.8
92.20092	1.6
109.41805	0.9
111.08136	1.1
150.66856	0.9
198.14122	0.9
255.73250	0.9
277.79181	0.9
401.39117	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01067	0.6
51.26557	0.6
53.12288	0.6
59.01376	4.0
59.86086	0.6
61.98836	100.0
71.01344	0.6
78.47924	0.7
88.87404	0.6
92.20081	1.5
143.70488	0.8
178.02586	0.7
218.79688	0.7
246.23697	0.8
348.18964	0.8
450.23126	4.3
480.20731	0.8
510.24207	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	511.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63929	1.6
75.65839	1.6
84.44733	1.6
93.03456	2.9
100.65189	1.8
110.00105	2.7
121.02926	4.2
123.04503	3.2
124.01678	3.4
133.02907	4.4
135.04503	2.0
139.04034	3.4
152.01141	3.6
153.01938	38.9
162.77711	2.0
165.01968	4.2
167.03499	100.0
177.99103	1.8
179.03468	7.1
191.03607	2.0
217.05046	2.5
250.21559	2.0
256.03711	3.5
257.00891	7.2
264.98853	2.1
268.03864	2.6
271.02585	2.8
273.00415	4.3
281.04410	2.8
284.03320	3.4
285.00443	19.1
286.01193	18.9
295.06287	2.6
299.05545	7.8
300.02670	21.7
301.03470	22.1
313.07071	2.6
315.05017	2.8
317.03430	2.7
319.06000	3.2
331.04556	21.9
333.06274	17.4
341.02911	4.2
391.04745	2.7
402.03900	2.3
403.04565	2.7
421.08911	3.5
449.08871	45.6
493.07617	8.9
511.08771	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	511.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.8
59.01390	13.2
66.57568	1.5
71.01379	3.5
85.68317	1.4
89.02438	4.1
101.02431	3.3
102.36082	1.6
105.17600	1.6
108.02159	1.6
110.00094	3.8
113.02414	2.5
121.02962	2.9
123.04530	7.8
124.01615	3.9
133.02950	7.2
135.04527	8.0
137.99576	3.7
139.04031	7.7
149.25542	1.8
152.01129	7.7
153.01938	36.6
160.60321	1.6
165.01881	6.3
167.03508	100.0
167.04962	3.9
167.07234	5.7
179.03444	3.9
190.99834	1.8
191.03500	2.1
217.04953	1.8
243.02930	2.0
256.03729	3.4
257.00934	3.9
268.03525	2.1
269.00925	1.7
269.04605	2.4
271.02429	6.7
273.00378	2.3
281.04587	2.1
284.03195	3.3
285.00494	15.6
285.03571	2.3
285.07565	1.8
286.01251	15.1
289.03577	2.1
295.05988	2.0
299.02432	3.3
299.05615	14.1
300.02838	19.4
301.03555	28.9
313.03543	1.9
315.05295	2.2
317.02966	2.9
319.05933	4.0
331.04602	26.3
331.18964	3.1
333.06244	18.6
341.03052	6.7
347.05533	3.7
374.04196	2.7
391.04642	2.2
402.04236	2.6
403.04492	7.9
411.13800	1.9
419.04120	1.8
421.09088	2.6
449.08789	54.3
493.07672	10.7
511.08749	32.7
511.25702	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	511.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02375	0.3
59.01379	0.7
67.98856	0.4
72.53433	0.4
74.46706	0.4
78.54353	0.4
93.71653	0.4
99.92575	2.6
116.92854	100.0
149.98393	0.4
158.58591	0.4
205.21986	0.4
275.28696	0.4
313.12808	0.4
393.23026	0.9
409.62106	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	511.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	76.1
60.99310	8.7
64.78956	4.6
67.36407	4.5
67.45039	4.9
71.01394	9.2
71.23266	4.6
71.29508	4.2
85.02970	5.3
88.98801	100.0
89.02466	39.8
89.68386	5.2
101.02438	11.0
123.04527	7.1
123.08153	8.8
123.63358	5.0
137.09702	8.8
152.01151	11.7
155.10736	5.8
165.09148	5.7
167.03467	32.2
182.26863	4.5
208.26559	4.9
221.11768	5.8
349.19946	8.3
391.21155	10.7
403.25961	5.6
477.10846	5.1
511.19193	64.9
511.25879	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	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77699	1.3
56.52200	1.3
59.01105	2.4
59.01384	48.5
59.55592	1.3
59.71786	1.2
60.99328	12.3
61.98846	1.7
64.11441	1.4
69.03483	1.4
71.01384	2.0
81.03465	1.6
87.37598	1.5
88.98804	100.0
89.02446	13.0
95.15535	1.4
101.02430	2.9
107.94002	1.9
113.44105	1.6
165.09222	2.0
167.03484	2.4
183.98114	1.7
217.26813	1.4
221.11771	3.4
266.27338	1.5
317.39948	1.6
319.19348	1.9
349.19946	3.2
391.21051	2.0
451.23596	2.5
469.24377	3.2
511.25479	7.0
533.36481	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	511.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
69.00978	0.9
77.19982	0.9
81.98241	1.0
83.10227	0.9
107.82410	0.9
121.02947	4.4
211.13298	1.2
215.11504	0.9
268.44531	0.8
313.18109	100.0
468.72076	1.1
475.23376	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	511.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98832	0.3
63.78944	0.3
64.73712	0.3
67.45913	0.4
85.03005	0.5
106.92704	0.4
110.58127	0.4
111.00884	4.0
193.05583	0.4
220.04495	0.4
311.16516	0.6
313.18112	100.0
337.47025	0.4
349.26898	0.4
355.24899	0.7
475.23398	39.5
511.28482	0.5
520.06989	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.1
61.22301	0.7
61.98569	0.9
61.98833	15.2
71.01360	2.8
73.02936	0.7
85.02927	3.4
87.04511	6.2
92.20086	0.7
101.02417	3.0
110.18318	0.8
122.03702	3.7
125.02403	2.8
137.09708	7.7
139.07581	1.2
144.75488	0.7
151.11247	1.5
155.10771	32.7
155.97276	0.8
163.07584	4.2
163.11275	0.7
165.05525	0.9
165.09158	0.8
167.07133	100.0
179.10762	6.6
181.08676	5.3
191.10777	1.7
195.10240	3.5
199.09737	10.3
223.09734	3.1
241.10757	3.0
255.12292	1.4
282.80609	0.7
283.11862	5.4
331.19156	1.6
343.13809	3.9
347.22418	0.7
511.21713	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56545	3.9
56.31684	4.9
58.40309	3.7
59.01389	100.0
60.50254	4.2
69.68414	4.6
74.69009	4.3
75.71892	4.6
108.57970	4.3
127.13071	4.3
127.55474	4.9
136.43605	4.9
153.01982	5.6
164.01167	5.0
167.03456	11.2
186.09819	4.9
221.11696	5.0
299.05569	4.5
307.43134	5.1
465.87744	4.3
511.08838	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	511.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41845	0.9
54.00872	0.9
54.55326	0.9
54.79486	0.9
59.01384	100.0
61.05621	1.0
61.79305	0.9
61.98819	1.0
69.05405	1.1
71.01385	2.3
74.78977	0.9
78.95912	1.9
87.73654	0.9
89.02428	2.4
92.19389	1.2
101.02473	1.9
123.04525	4.0
125.02447	2.3
137.06097	1.2
155.10753	1.6
167.03479	30.2
167.07137	1.7
179.10851	1.4
181.08693	25.2
187.09746	1.3
221.11783	4.5
260.83218	1.1
287.16495	2.3
313.18127	2.1
331.19034	1.9
335.18628	5.6
349.20047	4.6
391.21213	8.5
421.65057	1.1
451.23236	4.9
511.11072	1.1
511.18338	6.4
511.25516	14.8
511.32928	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	511.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
65.66355	2.6
67.27143	2.9
70.93565	2.7
71.01373	4.4
83.45332	2.6
89.02466	4.9
100.71409	2.9
103.52524	2.9
109.02949	3.1
113.02441	3.9
113.51606	2.6
123.04482	3.5
123.08154	21.2
125.06079	21.9
133.06577	3.0
151.07687	2.7
153.02008	10.2
158.53024	3.4
163.03992	4.0
167.03484	20.9
179.10785	41.0
221.11688	5.2
282.82330	3.0
287.16574	3.7
302.26733	3.7
331.04352	4.0
331.18787	3.8
349.20084	18.5
399.96243	2.9
419.97290	3.1
471.18823	4.0
493.07806	4.0
493.20749	4.3
511.08722	11.1
511.25345	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	511.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19772	3.4
54.34453	2.7
59.01386	100.0
61.98835	70.5
64.33736	2.8
71.01379	20.5
73.02946	5.3
77.60555	3.5
78.59421	3.4
83.05003	3.4
85.02963	4.8
87.00867	3.7
89.02432	6.9
96.96017	4.0
101.02444	20.1
119.03466	3.9
123.04495	15.3
125.02448	19.1
125.05984	3.9
134.47992	3.2
137.12259	3.7
165.09203	3.5
167.03522	38.3
167.07138	13.7
181.08722	55.0
286.21164	3.9
289.12900	3.5
289.18036	7.4
297.24820	3.7
349.20044	5.6
391.21103	4.1
411.58813	3.6
451.55017	3.6
474.91928	4.0
511.18231	6.5
511.25238	57.8
511.32709	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	31.4
63.50397	0.9
64.29874	0.8
65.31920	1.0
95.05038	1.2
112.06116	1.0
112.07686	6.4
113.06064	1.1
123.04388	1.1
129.10347	2.2
130.08751	9.1
163.93398	1.0
183.02945	1.5
207.15013	4.9
224.17656	4.0
225.16048	14.1
320.23337	1.8
337.26059	4.8
433.31750	14.5
451.32938	100.0
511.32156	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	511.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58342	1.4
59.01384	100.0
59.04339	1.4
59.72937	1.4
60.12075	1.3
61.76409	1.5
69.20000	1.3
70.26687	1.4
70.90957	1.4
81.41425	1.6
82.18262	1.4
83.05017	7.8
94.11147	1.6
99.04514	3.1
113.35556	1.7
127.07634	16.8
128.83635	1.6
129.05598	2.7
141.09203	10.5
150.50606	1.5
180.45438	1.6
238.79341	1.9
293.28491	1.7
389.34570	3.5
407.35336	25.4
433.33029	2.9
493.35077	1.8
511.36380	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	512.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68917	0.4
59.01377	3.1
61.98838	100.0
63.41077	0.5
88.18613	0.5
99.37263	0.5
169.39853	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	512.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33694	0.9
63.40024	0.8
72.04549	1.8
72.40892	0.9
73.04078	1.5
74.02471	1.7
83.02517	1.2
98.02457	1.1
111.05577	1.3
112.04041	65.5
113.03572	100.0
129.06705	31.0
131.04645	1.2
144.07816	9.4
169.06154	1.8
181.81433	1.0
182.09319	3.8
183.07735	4.0
186.08821	1.1
200.10439	2.2
226.08310	6.6
244.09351	12.1
278.19510	1.0
424.24582	43.9
444.80109	1.0
450.26282	16.5
468.27231	20.2
468.84940	1.0
512.29840	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	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84796	1.4
67.01897	2.3
68.99841	12.3
71.05002	1.7
84.02176	2.7
85.02943	24.4
92.10432	2.0
97.96902	1.6
98.72958	1.7
99.04527	3.1
102.18604	1.6
104.30956	1.8
111.00878	52.2
115.03967	1.8
125.06110	2.8
139.00320	1.7
143.03500	100.0
143.07161	7.0
145.02928	28.3
158.61813	1.8
163.03954	2.0
169.05045	11.7
172.40404	1.9
187.02512	20.4
187.06123	31.6
197.85355	2.0
218.23958	1.5
253.23708	1.6
260.50125	1.6
287.54633	1.6
325.09286	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49857	1.1
67.01902	1.9
78.89318	1.1
85.02961	1.4
92.20103	2.1
93.03462	2.0
106.07743	1.2
111.00873	29.6
111.04566	1.2
117.03430	1.7
119.05015	9.6
133.33696	1.1
143.03508	8.9
145.02951	100.0
161.04581	2.5
163.04031	14.9
179.05641	6.9
180.57738	1.2
319.08005	1.3
325.09314	55.7
337.09384	5.6
339.10803	7.6
396.33939	1.3
513.16241	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	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49857	1.1
67.01902	1.9
78.89318	1.1
85.02961	1.4
92.20103	2.1
93.03462	2.0
106.07743	1.2
111.00873	29.6
111.04566	1.2
117.03430	1.7
119.05015	9.6
133.33696	1.1
143.03508	8.9
145.02951	100.0
161.04581	2.5
163.04031	14.9
179.05641	6.9
180.57738	1.2
319.08005	1.3
325.09314	55.7
337.09384	5.6
339.10803	7.6
396.33939	1.3
513.16241	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	513.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29878	1.0
52.79578	1.0
54.80017	1.1
67.76107	1.1
87.20578	1.2
99.92590	2.4
104.81571	1.2
116.92857	100.0
127.83326	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	513.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82394	0.6
54.89987	0.7
59.01375	1.3
62.43688	0.6
63.33248	0.7
64.60495	0.7
82.24139	0.7
151.07646	1.1
189.32823	0.7
241.31956	0.8
243.85640	0.8
244.90137	0.8
273.27295	0.7
313.18085	1.4
315.19684	100.0
477.24979	48.1
513.27911	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	513.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39318	1.1
56.05503	1.1
56.84937	1.0
59.01384	22.1
71.01382	10.4
85.02953	1.4
89.02446	15.5
92.80968	1.2
101.02432	13.0
110.89595	1.3
113.02412	5.4
119.03495	6.4
121.02942	1.4
276.21362	1.2
297.18610	43.2
315.19614	6.9
477.24966	100.0
486.63831	1.5
513.21918	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	513.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24180	80.3
56.56987	79.2
74.24704	87.8
112.42953	100.0
170.94360	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45418	0.4
89.66009	0.5
90.88358	0.5
92.86234	0.5
96.73083	0.5
121.02946	100.0
167.03502	0.8
312.35669	0.5
339.34567	0.6
351.21841	0.7
393.22772	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	513.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77167	0.5
60.63006	0.4
78.29784	0.5
85.78406	0.5
108.38123	0.6
121.02953	100.0
150.23172	0.5
169.64462	0.6
182.30090	0.5
186.48361	0.6
239.64447	0.5
497.73618	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	513.2707
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
53.05363	0.6
58.89459	0.5
59.01141	0.8
59.01385	12.9
61.98836	4.6
64.17072	0.5
71.01379	9.5
73.02944	3.3
76.59984	0.7
76.82764	0.6
83.01366	1.0
85.02958	4.4
87.00855	0.6
88.17506	0.5
89.02438	6.5
96.96004	2.4
101.02439	11.3
102.58982	0.5
107.08758	0.5
113.02448	6.3
119.03480	2.7
123.00904	1.0
123.04506	1.5
125.02411	3.6
131.03468	0.9
135.04553	1.0
137.02415	0.9
139.04089	0.5
141.01929	0.6
150.03207	0.8
153.05540	1.1
156.60741	0.5
161.02377	0.8
161.04535	0.8
165.05563	0.8
167.03528	0.9
167.07149	1.4
177.01828	0.7
181.08740	3.6
185.72650	0.7
273.18558	2.4
291.19708	1.4
315.19687	1.0
322.36581	0.6
333.20676	6.1
346.22552	0.6
351.21790	5.6
411.35275	0.6
513.21216	4.6
513.27136	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	513.2992
Annotation	Cathafuran A
Peak:m/z	Relative Intensity
53.48928	4.3
59.01376	11.7
61.98826	9.8
64.78048	4.6
78.72648	4.2
82.00835	3.9
85.02963	9.1
88.90283	4.3
89.02462	4.5
111.00900	43.0
115.70283	5.1
121.29333	4.7
145.54547	6.1
182.78773	4.5
342.94351	4.8
495.29565	6.0
513.22015	39.1
513.29712	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.78110	0.4
56.95801	0.4
59.01390	4.6
71.01377	2.0
89.02451	3.7
96.21310	0.4
101.02438	4.3
113.02434	3.0
113.97139	0.5
131.64343	0.5
139.57997	0.4
161.04576	1.8
253.09293	11.6
277.21738	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88998	0.3
59.01384	6.7
71.01377	3.0
73.02959	0.8
78.95913	0.4
83.01422	0.5
83.22442	0.3
83.45985	0.3
85.02949	0.4
89.02444	4.3
97.02886	0.4
101.02428	5.6
107.78695	0.3
113.02464	2.7
145.30350	0.4
152.99573	1.4
161.04533	0.8
180.21170	0.4
235.08269	0.9
253.09308	11.8
259.20624	0.5
275.20236	0.5
276.12634	0.3
277.21735	100.0
473.96774	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53344	1.1
59.01384	100.0
62.59406	1.7
69.48909	1.1
72.99301	1.4
74.48376	1.5
76.49656	1.3
114.44384	1.3
148.60634	1.6
152.99588	2.8
161.61404	2.0
161.83739	1.6
179.92604	1.3
277.21750	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06101	0.4
59.99851	0.4
60.49276	0.4
61.98802	0.4
62.13530	0.4
65.60416	0.4
70.84091	0.4
70.99477	0.5
71.11317	0.4
72.99306	22.4
87.11484	0.4
102.74987	0.4
114.02699	0.4
116.04298	0.5
118.06613	3.1
119.05042	1.0
120.29520	0.4
125.02393	0.6
132.04494	1.1
134.06108	3.7
144.04564	2.4
146.06117	1.1
162.05602	33.0
180.06703	0.5
180.15701	0.5
190.05092	9.4
208.06154	100.0
262.87030	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	514.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.2
61.22591	2.5
66.83384	2.1
71.01372	4.9
73.02946	2.3
74.02471	12.2
76.11388	2.6
80.90617	2.2
86.02486	2.8
89.02435	2.5
97.86912	2.2
99.05629	10.1
101.02457	3.7
123.04446	3.2
128.03526	47.5
135.05692	2.9
143.04637	66.8
143.37096	2.4
146.04630	3.5
153.06688	2.5
160.00742	13.3
166.09796	3.1
167.04578	3.8
177.03307	4.4
179.04634	11.8
210.08942	12.6
254.07846	3.8
272.08936	12.7
306.07681	100.0
352.21936	3.0
514.19244	18.4
514.27399	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78237	0.5
54.26591	0.5
59.01373	0.8
60.04784	0.5
61.55554	0.6
61.98837	100.0
62.45357	0.7
63.65569	0.5
69.59756	0.7
71.42920	0.5
73.21269	0.6
92.37959	0.6
134.69554	0.7
157.06332	0.7
263.88324	0.6
300.10114	0.8
355.20593	0.8
379.57443	0.7
454.22849	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	515.0986
Annotation	Bacillisporin A
Peak:m/z	Relative Intensity
55.60360	0.8
70.34451	0.7
75.16109	0.8
80.67770	0.8
81.39286	0.9
86.59254	0.9
89.08349	0.8
89.16573	0.8
120.26394	0.8
134.51851	0.9
165.01909	1.7
211.59344	0.9
222.63663	0.8
345.04102	1.0
378.45474	0.9
388.01089	1.8
388.05945	43.6
398.04236	1.6
400.02130	1.4
403.08276	22.6
412.06094	0.9
413.06656	8.2
415.04642	23.6
426.03815	22.0
440.05417	1.3
441.06171	41.5
457.05902	3.3
468.04849	8.2
483.07220	16.2
515.09863	100.0
525.77313	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	515.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45382	1.2
56.86245	1.4
59.01382	3.2
60.95653	1.3
61.62628	1.2
61.90757	1.3
71.01366	6.0
73.02932	2.1
85.02946	100.0
89.02430	2.5
93.03452	5.6
93.94523	1.5
101.02432	3.1
109.02939	2.1
111.00887	3.1
111.04504	3.2
113.02429	2.6
129.01929	40.3
129.05608	1.6
137.02481	2.9
161.02475	1.9
173.00900	44.5
173.04543	12.5
188.61383	1.8
191.05573	3.0
203.07069	1.9
208.83661	1.4
337.09564	1.7
341.11081	13.1
403.31308	1.8
515.15967	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	515.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60034	4.0
52.57415	3.8
59.01382	62.2
61.38554	3.8
71.01387	67.9
73.02927	7.9
85.02947	17.7
89.02432	43.0
92.20010	8.9
101.02454	44.6
105.03915	4.6
109.85551	4.4
113.02456	30.2
119.03474	9.8
121.02953	47.2
135.04512	19.8
138.37790	5.1
161.04547	5.3
164.67751	5.0
234.81099	4.7
235.08316	6.1
295.63730	4.9
394.62109	5.3
437.05759	6.2
454.41092	5.8
497.23990	6.4
515.12970	50.4
515.28979	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	515.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04914	10.9
55.23317	12.2
59.01371	18.6
71.01397	17.9
80.21510	11.9
92.19385	15.8
96.56840	12.1
142.15930	14.1
150.03244	55.0
164.04878	17.9
165.05553	100.0
195.06654	28.3
294.66592	16.7
314.16547	12.5
354.76804	14.5
431.13586	24.5
515.13123	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02916	3.2
57.75171	2.8
59.01384	26.1
60.08401	2.7
61.98833	6.6
66.01379	3.1
68.16379	3.1
71.01383	13.8
71.98977	3.7
73.02956	7.4
85.02946	5.4
89.02448	5.2
101.02439	14.0
113.02458	5.1
118.00917	3.2
121.02894	7.8
122.03724	7.0
123.04519	47.4
125.06078	14.7
135.04524	5.1
137.02400	5.2
139.03999	13.0
140.13536	3.1
143.07130	23.9
150.03207	3.5
151.04024	26.3
153.05560	100.0
155.10832	6.6
165.01904	5.0
165.05571	15.8
167.07141	17.8
167.66599	3.3
179.03506	16.0
181.08699	13.0
206.80194	3.2
317.10281	85.5
379.98090	3.5
479.15399	36.5
510.72922	3.6
515.13373	8.8
515.21283	91.2
515.28436	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	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18651	1.7
59.01378	16.7
64.21751	1.6
70.17970	1.5
71.01391	10.9
72.99296	3.0
73.02938	15.5
75.85350	1.6
83.05029	3.0
85.02956	3.4
89.02451	23.4
93.03445	38.3
99.04507	7.3
101.02451	9.1
111.04518	35.5
113.02444	5.9
119.03500	9.8
127.77742	1.8
129.05589	2.2
137.02480	18.3
143.03522	3.7
151.83344	1.7
155.03494	35.4
173.04546	100.0
173.06039	3.5
179.05579	2.7
341.10886	78.5
515.16156	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	515.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.0
65.22878	1.2
66.90761	1.1
71.01373	15.3
73.02942	18.5
81.03458	1.5
83.05016	5.3
83.15351	1.3
85.02943	6.1
89.02441	31.1
92.20180	1.5
93.03453	42.0
99.00894	6.1
99.04496	6.7
101.02443	10.9
102.15039	1.4
111.04525	30.5
113.02428	9.6
119.03490	11.9
129.01955	2.2
131.03479	1.7
137.02451	18.8
139.04276	1.6
143.03506	7.5
155.03502	15.4
161.04549	2.1
173.04544	100.0
179.05611	7.8
267.92429	1.5
341.10898	89.1
348.84702	1.4
391.62036	1.3
515.16425	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	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74949	1.0
51.70773	0.9
59.01382	15.4
60.99308	9.3
67.18363	1.0
70.14388	1.1
71.01377	9.3
85.02943	1.7
88.00403	1.2
88.98803	100.0
89.02438	16.1
95.55249	0.9
101.02428	7.9
113.02420	2.2
123.25031	1.0
179.05591	1.9
232.75432	1.2
412.03152	1.1
515.28717	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64309	1.7
59.01378	10.0
68.38426	1.7
71.01379	3.1
89.02454	5.0
123.04511	2.3
134.03726	9.8
136.01668	18.1
138.30162	2.2
149.02440	7.8
149.06099	2.5
150.03224	66.7
151.04031	24.9
160.43153	2.1
162.28613	2.0
164.04694	3.0
165.05573	100.0
177.01956	2.5
180.04208	3.9
195.06647	38.3
203.06898	2.0
231.56329	2.2
241.05008	28.3
256.07404	48.1
271.09790	55.1
272.29367	2.0
319.11777	11.5
457.18170	2.2
467.17203	18.7
515.19061	17.0
515.28650	4.9
522.88330	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	515.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20538	3.1
54.73613	3.5
59.01383	14.9
61.52718	3.0
67.50681	3.1
67.76096	3.4
68.61224	3.4
83.30087	3.6
89.02467	5.3
95.08826	3.5
112.82220	3.7
113.02462	4.5
121.02902	3.5
134.03708	37.0
135.04575	4.9
136.01730	24.5
149.02443	16.1
149.06087	22.0
150.03210	65.7
151.03999	46.9
153.05460	3.7
164.04713	4.4
165.05571	87.3
180.04297	4.0
195.06575	30.0
241.05081	37.9
253.05038	3.9
255.06665	6.4
256.07428	77.4
271.09793	100.0
284.06821	4.8
285.07623	6.0
299.09241	13.5
319.11990	17.5
467.17206	65.8
483.96942	4.1
515.19147	44.9
515.28485	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1928
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
56.18166	1.7
59.01366	8.4
71.01351	5.7
73.02905	1.6
83.01344	1.5
89.02415	2.8
92.77071	1.4
97.02945	2.8
101.02416	1.9
109.02950	14.5
115.78936	1.6
123.04491	9.8
124.32529	1.8
125.02441	18.2
129.05508	1.5
137.02434	17.1
139.03966	5.9
149.02444	2.4
151.03926	6.2
151.07634	2.6
161.02376	2.9
161.06032	7.0
161.60596	1.5
165.01875	8.5
167.03429	5.7
179.03522	10.6
185.06068	7.4
187.03967	6.2
188.04810	2.2
192.34511	1.5
202.06299	2.4
203.07167	16.6
205.05081	18.0
221.08191	2.5
223.13336	3.2
227.06987	1.9
228.93457	1.9
245.08209	32.7
247.06006	3.3
289.07153	39.3
302.59711	1.7
356.22281	1.8
479.15952	1.8
515.19098	100.0
515.31226	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	515.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01385	16.8
61.75999	2.0
61.90981	1.6
61.98834	12.2
71.01379	12.2
73.02950	2.3
89.02431	9.5
98.77608	2.4
101.02443	5.0
113.02438	3.4
123.04517	2.6
125.02438	4.6
135.04529	2.6
137.02451	2.2
138.03171	2.5
140.33830	2.5
165.01996	3.3
167.03584	2.9
181.08711	8.0
218.06181	2.4
343.13925	4.3
515.24493	100.0
515.31647	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	515.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.9
69.81943	0.8
76.12743	0.8
87.92995	0.7
105.03104	0.8
114.31841	0.9
182.30119	0.9
206.86499	0.9
251.20372	1.1
271.20712	1.8
279.19614	3.5
299.20148	6.1
315.19644	15.1
317.21234	100.0
477.24884	7.0
515.23792	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	515.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.99179	3.4
71.01383	62.0
73.02956	5.4
85.02959	13.0
88.66391	3.5
88.69521	3.6
89.02436	62.1
98.54894	3.8
101.02429	46.2
101.48589	4.4
113.02433	23.3
116.63865	3.3
118.92231	3.1
119.03494	23.7
125.02459	3.2
167.50922	3.5
179.05606	13.9
197.44994	3.8
210.71982	3.5
271.12701	3.7
366.08170	3.5
515.23810	96.7
515.28845	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2858
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
51.16557	1.0
53.15308	1.1
53.55020	1.1
59.01384	77.6
71.01393	15.7
76.26839	1.4
78.63469	1.5
83.01400	1.8
85.02973	5.9
89.02428	13.6
101.02444	14.9
109.02965	1.6
113.02467	7.6
119.03493	2.7
137.02515	1.5
139.04085	5.1
178.97031	1.2
203.07124	2.0
289.07278	2.4
515.18250	3.0
515.29077	100.0
533.17700	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	515.2864
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
59.01385	100.0
59.60815	1.6
71.01378	62.7
73.02957	4.6
73.08932	2.0
85.02951	10.6
88.98846	2.2
89.02439	73.7
92.69778	1.8
100.64639	1.7
101.02440	42.5
113.02443	29.2
119.03488	26.7
124.76112	1.9
129.38118	1.8
131.03494	2.3
143.03555	2.3
161.04573	8.8
177.05760	1.8
179.05664	17.9
205.17900	1.8
210.28468	2.2
235.08298	10.8
347.15253	2.4
479.19632	2.7
515.28754	96.7
515.36292	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	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88476	0.3
52.94693	0.3
54.79489	0.3
57.38819	0.3
59.01390	3.6
59.01632	0.4
59.19448	0.4
71.01382	2.1
73.02953	0.3
77.95445	0.3
87.00888	0.4
89.02448	3.2
92.19392	0.6
95.01360	0.4
101.02441	4.5
113.02438	1.6
115.30874	0.3
119.03481	0.6
125.36426	0.3
161.04649	0.5
235.08244	0.9
240.17831	0.4
253.09312	8.1
279.23309	100.0
302.80869	0.4
418.33334	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	517.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57399	0.4
59.01382	37.0
84.77000	0.5
169.71901	0.5
174.99236	29.1
188.97885	0.6
201.02519	8.4
217.00294	100.0
222.04669	0.6
319.79541	0.6
359.01544	11.6
374.99249	56.0
456.71875	0.6
517.00305	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	517.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70920	1.1
69.85109	1.3
105.95380	1.2
165.01967	13.8
285.53671	1.3
331.25146	1.3
355.25113	1.2
357.78403	1.3
388.05908	33.2
398.04254	2.4
403.08249	20.9
415.04654	23.5
426.03864	37.1
430.06839	2.6
441.06174	54.8
445.09344	2.6
473.08801	100.0
473.58685	1.3
517.07855	9.0
517.24219	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	517.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73378	1.3
50.79012	1.3
59.01366	1.7
64.22250	1.5
71.01378	1.5
75.00851	1.5
77.49324	1.8
79.42995	1.4
85.03000	2.0
85.17326	1.4
95.05043	1.7
97.02953	7.8
101.02378	1.4
102.59100	1.4
109.02931	3.3
111.04511	1.9
115.00363	6.6
123.04520	24.3
125.02443	56.6
135.04533	2.5
137.02446	17.6
137.37924	1.5
139.04005	11.0
161.02463	18.0
164.01100	2.6
165.01923	13.3
167.03485	15.4
167.07123	32.9
174.01720	16.1
177.05528	2.8
179.03520	18.6
203.03494	2.2
204.04301	2.3
211.06062	11.1
219.06711	16.0
221.04614	3.0
245.08093	1.7
261.07578	2.3
305.06686	100.0
307.04529	2.3
355.10425	6.4
508.26093	1.7
517.16010	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02423	0.8
83.26109	1.0
85.02966	2.4
87.00860	1.2
128.02197	1.0
135.04482	1.2
152.13174	1.0
161.02426	6.3
173.04437	1.0
191.05621	100.0
321.08905	1.0
343.09583	1.1
451.79770	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	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38063	0.3
59.01390	0.5
63.97693	0.3
73.02959	0.4
85.02957	3.1
87.00869	0.5
93.03420	0.6
115.00410	1.3
127.04034	0.8
133.03012	0.4
134.75108	0.3
135.04550	0.5
137.86943	0.4
145.02994	0.5
160.19470	0.4
161.02444	2.0
173.04561	0.7
174.01654	2.7
191.05624	100.0
305.06601	0.8
355.10483	0.7
466.29956	0.4
517.15967	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	517.1715
Annotation	Fibleucinoside
Peak:m/z	Relative Intensity
59.01391	3.9
61.98821	1.1
68.81886	1.1
71.01399	1.2
83.99271	1.2
90.72446	1.1
98.24110	1.0
101.02402	1.4
113.02400	1.4
122.33950	1.4
128.66228	1.2
139.03981	1.6
162.20169	1.1
180.88161	1.0
194.91797	1.3
205.05077	1.4
225.05556	2.5
253.08675	2.4
264.27631	1.5
267.10156	4.7
268.11069	5.4
279.09958	1.5
281.08282	12.7
295.09799	6.6
296.10522	21.0
310.12057	4.6
311.09491	4.9
311.12888	80.9
327.12302	9.8
339.08838	2.4
354.11133	16.2
355.11902	87.2
417.67331	1.2
491.52768	1.4
503.01495	1.2
517.17169	100.0
517.24268	4.5
517.29944	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	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06803	0.5
59.56941	0.4
65.54337	0.5
68.89308	0.4
72.79485	0.5
72.89989	0.4
84.43435	0.5
100.03072	0.4
136.07581	0.5
142.99831	0.9
146.38020	0.5
153.74411	0.5
217.91522	0.5
231.10284	4.4
291.94260	0.6
313.14514	1.8
313.18045	0.6
314.18692	0.8
328.16788	6.2
329.17603	100.0
401.19714	0.9
445.18600	3.7
473.18103	1.2
517.17462	3.1
517.25867	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	517.1719
Annotation	Phellochinin A
Peak:m/z	Relative Intensity
51.70393	0.6
56.46561	0.6
59.34328	0.6
61.69463	0.8
68.87215	0.7
79.78429	0.6
90.72447	0.7
116.77766	0.7
128.72252	0.6
159.04536	5.7
162.00604	0.8
183.89897	0.7
255.06699	1.4
265.08621	0.6
281.08078	3.2
296.10629	5.2
311.09381	1.0
322.08420	3.0
325.07175	9.6
339.08646	2.9
340.09540	86.1
351.50354	0.7
355.11905	100.0
517.17310	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	517.1735
Annotation	Phellochinin A
Peak:m/z	Relative Intensity
51.53725	1.0
59.01388	15.3
61.87737	1.1
71.01375	12.0
73.02956	1.5
75.27548	1.3
89.02445	8.7
101.02428	5.5
103.04041	1.4
109.67429	1.3
113.02442	1.9
119.03535	1.8
121.02962	2.1
125.02409	1.6
134.03743	3.1
149.06056	6.1
159.04506	23.1
160.05167	1.6
165.05554	1.4
199.58867	1.5
245.36983	1.4
281.08353	9.8
295.09647	6.5
296.10590	14.6
307.10510	4.5
325.07162	6.7
340.09509	48.8
355.11920	100.0
517.17712	4.0
517.30249	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	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54111	0.8
51.32428	0.8
52.39375	1.1
54.09082	0.8
55.14981	0.9
56.97689	0.8
64.97678	0.8
65.90347	1.0
70.63902	1.0
72.75323	0.9
98.76942	1.0
123.00029	1.1
123.00864	1.9
125.02412	1.3
133.02962	3.9
135.04538	20.4
139.00363	1.9
151.00348	6.7
152.01137	38.6
153.05592	1.1
161.02435	87.5
161.04512	2.6
161.08159	4.9
163.00368	2.3
165.01923	1.0
178.99895	13.8
179.03464	17.1
180.00674	13.3
191.05629	13.4
193.01396	4.4
207.02979	1.1
208.00142	95.5
209.00931	6.9
266.49506	1.0
279.63239	1.0
286.54495	1.1
355.06903	1.7
355.10342	72.0
517.11945	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	517.1925
Annotation	Glu-Asp-Gln-Gln
Peak:m/z	Relative Intensity
59.01104	2.3
59.01382	45.9
69.03448	2.2
71.01380	26.9
73.02941	11.0
73.91354	1.2
77.40223	1.5
81.03467	1.3
83.01382	1.8
85.02945	9.3
89.02445	10.7
97.02953	2.9
99.00877	1.7
99.04510	2.4
99.08580	1.4
101.02427	12.6
103.04001	6.9
113.02457	1.9
125.02446	12.2
137.06085	2.4
143.03429	1.9
150.06813	5.2
163.06204	2.2
163.07645	3.0
164.08438	30.5
165.09218	20.7
179.07266	2.1
191.07135	24.0
240.75633	1.4
307.10370	6.4
358.32944	1.6
397.89978	1.4
473.20279	3.0
499.18552	5.6
517.19318	100.0
542.60791	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	83.7
69.13517	4.6
71.01377	52.4
73.02912	5.0
77.39304	4.4
80.99092	4.8
83.01395	6.7
85.02926	8.4
85.67710	4.5
89.02422	57.6
101.02454	46.9
113.02435	31.1
119.03475	25.8
125.02412	19.2
133.06581	21.9
143.03453	6.9
159.46054	4.8
165.05534	6.5
179.05542	11.0
221.06595	11.2
289.07669	5.3
296.10529	5.7
307.77307	5.6
322.71762	5.2
323.09888	100.0
340.09476	30.7
355.11884	34.2
445.73700	5.2
457.17334	18.9
479.19022	5.5
517.30066	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	60.3
63.26575	2.8
71.01376	57.0
71.81332	2.6
73.02975	3.6
74.35999	2.8
75.00877	3.1
76.02219	2.9
78.95883	4.4
85.02955	6.9
89.02443	73.5
96.96014	5.7
96.96955	6.0
97.02930	3.9
97.18124	3.0
99.00862	7.2
99.14077	3.2
101.02427	19.0
105.79912	2.8
113.02450	5.9
115.04041	6.4
125.02436	21.3
126.64040	3.3
143.03444	4.4
148.05290	19.1
149.04517	4.1
163.07654	26.6
167.07118	61.2
233.06607	11.4
265.93051	3.5
292.16476	3.6
293.08826	100.0
315.51263	3.7
346.41534	4.1
429.84464	3.1
457.16898	14.9
479.19205	34.2
481.19937	4.2
517.30505	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	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32651	0.5
59.01390	10.6
61.98837	1.0
71.01375	6.7
73.02982	0.6
81.03493	0.7
85.02946	1.1
87.63567	0.7
89.02441	8.8
91.01884	8.5
97.02953	1.1
101.02472	5.5
103.10635	0.6
106.04238	4.0
108.02178	4.1
113.02419	3.0
119.03504	3.2
120.91824	0.6
121.06640	5.7
125.02402	4.8
131.03467	0.7
135.04529	0.8
143.03484	0.7
161.04506	0.9
179.05580	3.9
193.08705	100.0
201.02600	0.6
221.06694	2.3
231.72008	0.6
263.07803	1.1
323.09787	10.9
517.18695	1.1
517.25439	4.2
524.41327	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	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22963	0.5
63.60809	0.5
76.75920	0.5
121.02951	100.0
144.58430	0.7
196.92899	0.8
243.10350	0.9
255.10326	1.1
286.96481	0.6
291.12442	4.0
395.17126	3.2
420.19269	0.6
517.07819	0.8
517.20782	2.6
517.27765	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	517.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
121.02953	100.0
123.04497	1.8
139.71288	1.4
158.07823	1.3
176.78342	1.9
242.76300	1.5
291.12234	2.3
395.17096	1.9
517.07343	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	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	93.6
62.51503	2.7
63.04385	2.8
71.01388	29.7
73.02953	18.3
83.01392	5.0
85.02945	5.5
87.00872	4.9
89.02438	45.4
92.19374	5.3
101.02441	38.1
103.04025	14.8
113.02462	19.7
114.41229	2.9
115.04003	5.9
119.03523	15.1
119.38755	3.4
127.65270	2.8
131.03493	5.9
143.03510	12.9
145.05028	6.4
155.10806	15.7
163.06102	18.3
205.07224	5.5
215.56755	2.9
260.86057	3.5
263.12808	20.0
295.15527	6.0
420.94598	3.3
457.20865	100.0
496.70496	3.2
517.23285	43.3
517.30988	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00186	1.2
59.01384	29.2
71.01379	26.7
73.02943	4.5
83.01430	1.9
85.02950	19.8
87.00846	1.3
89.02442	25.7
95.01406	2.4
99.00908	4.4
101.02445	19.2
113.02464	27.2
119.03525	2.3
121.02916	1.3
131.03490	7.0
134.01646	1.3
149.04543	1.9
150.54102	1.2
152.08421	7.0
153.09209	18.3
179.05582	1.6
181.08659	1.3
191.05588	5.5
205.12323	14.7
299.22128	1.4
303.03366	1.2
355.17700	11.1
499.55338	1.4
517.22992	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	517.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
69.03463	4.6
69.57867	2.2
71.01386	44.3
73.02940	19.4
74.07661	2.1
81.03460	2.3
83.01390	4.9
85.02961	16.7
89.02427	27.9
97.02950	11.2
101.02448	28.7
103.03992	19.4
113.02425	3.4
119.03483	3.0
121.02943	2.4
125.02444	30.1
127.03980	3.5
143.03517	2.7
149.09724	64.5
163.06134	23.2
242.87755	2.3
247.08243	2.8
289.08795	2.1
307.10367	80.6
408.66846	2.7
457.20911	4.7
506.39740	2.2
517.24835	17.0
521.03662	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	517.2575
Annotation	Xyloketal J
Peak:m/z	Relative Intensity
55.02872	2.0
59.01400	2.0
72.21963	2.2
73.57148	2.1
92.19405	4.3
93.08390	2.1
103.06210	2.5
103.47340	2.5
103.85466	2.4
110.74300	1.9
111.00893	2.3
132.49655	1.9
158.83147	2.2
174.99608	1.9
189.74597	2.2
192.32304	2.8
192.34242	2.2
212.24652	2.3
239.76035	2.9
260.74756	2.4
288.17154	2.3
313.14529	3.1
328.16867	2.9
329.17673	32.6
333.84802	3.1
361.95352	2.2
396.46066	2.7
443.70346	2.2
517.25439	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49426	0.3
59.01401	0.4
85.06587	15.1
131.07140	100.0
209.25479	0.3
268.86584	0.4
495.68967	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	517.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12502	1.8
59.01390	14.3
61.98837	49.3
63.05080	2.0
71.01380	4.9
73.02957	4.3
89.02441	2.3
95.04961	3.0
97.02040	2.5
97.02898	2.5
101.02441	2.3
109.02947	3.4
111.04569	2.3
123.00891	2.7
125.02432	52.3
137.02449	24.0
139.04016	17.2
153.05576	2.4
163.33981	2.1
165.01939	19.0
167.03487	18.1
177.01978	3.0
177.05559	3.0
179.03546	21.0
181.08635	3.3
203.03528	3.8
204.04311	2.3
219.06622	16.2
221.04521	12.9
224.75902	2.4
229.05124	3.2
245.08054	3.3
261.07712	3.7
305.03494	3.0
305.06711	46.4
473.18130	5.1
517.20624	100.0
517.28931	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18970	0.2
59.01390	2.7
63.92999	0.3
71.01371	2.2
73.02961	0.6
85.02956	0.3
89.02435	2.2
89.05415	0.3
101.02465	3.0
102.45211	0.2
113.02451	1.7
119.03483	0.4
139.48178	0.3
143.81444	0.3
152.99631	0.5
161.04500	0.7
179.05656	0.3
213.98724	0.3
233.84456	0.3
235.08238	1.2
253.09305	9.0
281.24875	100.0
411.72076	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	518.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53310	0.3
62.56990	0.3
65.53440	0.4
69.07829	0.3
69.86088	0.3
70.26040	0.4
118.99356	0.3
151.96120	0.3
194.08678	0.3
315.19675	100.0
518.27618	38.1
518.33850	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	519.1504
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
55.91349	0.6
59.01384	7.4
61.98820	4.2
63.67651	0.6
71.01371	3.1
73.02915	1.0
83.01401	1.5
85.02950	3.0
87.00867	1.0
88.98808	4.7
89.02451	1.2
92.88359	0.6
93.03465	0.7
96.95995	0.7
99.00878	1.5
101.02442	1.7
109.02943	8.4
121.02958	1.6
122.03726	1.1
123.04516	100.0
127.07657	0.7
131.05026	4.0
133.06435	0.7
141.08244	0.6
146.03705	0.8
147.04517	1.0
149.06104	2.9
153.05516	1.1
155.10785	1.2
160.95512	0.6
161.06091	4.8
167.07097	0.9
174.03241	2.6
181.08598	1.5
189.05562	1.5
191.02869	0.7
205.05121	1.5
207.02997	2.9
221.04509	0.8
233.04552	6.9
278.76068	0.7
295.09793	1.2
311.09164	4.5
357.09802	53.9
357.13504	3.6
442.89407	0.8
459.21683	1.3
469.14294	0.9
483.22702	1.0
519.14655	20.9
519.23151	0.7
519.29431	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	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74378	1.4
59.01385	3.6
68.93872	1.6
71.01402	1.8
71.75405	1.7
85.75903	1.6
87.28856	1.6
92.20057	2.2
96.07983	1.8
105.03470	1.9
113.02449	2.5
121.03001	2.3
123.04556	1.9
132.02171	10.6
133.02966	47.9
134.03732	9.9
135.04527	13.5
146.03754	4.1
147.04558	2.8
149.06091	4.0
151.04036	1.9
160.00345	2.1
160.01669	74.1
161.02451	100.0
161.06070	2.4
164.04771	7.4
174.03114	2.9
175.04031	3.3
177.01950	28.3
177.05586	3.5
178.02695	8.7
179.03519	19.6
179.07120	12.3
193.05136	2.2
203.03549	2.1
203.36130	2.1
213.62154	1.9
221.04594	2.3
286.82028	2.0
313.10834	2.6
339.08588	21.0
340.08029	28.3
341.08975	3.1
357.09756	20.4
365.00903	1.8
519.14722	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31142	0.5
54.67040	0.5
55.64068	0.5
59.01375	1.3
65.95664	0.6
67.35912	0.7
67.48328	0.6
71.01385	1.1
73.02974	0.6
77.10693	0.7
87.00883	1.3
89.66859	0.7
92.19376	1.4
99.04568	0.6
100.55495	0.7
101.02445	4.1
101.03019	0.7
113.02431	0.6
121.02950	100.0
125.02457	3.1
128.46899	0.6
135.04547	6.5
143.03577	0.7
161.04565	7.0
163.40271	0.6
167.52774	0.7
172.56561	0.6
193.07184	4.7
247.67851	0.7
337.11612	0.7
459.15125	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	519.1873
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
55.01886	0.9
55.13728	0.6
76.80679	0.8
83.01391	47.2
83.01891	1.5
91.38739	0.7
92.20045	1.0
113.04953	0.7
121.02911	5.5
122.03745	7.2
123.04541	5.4
126.06863	0.7
136.05312	3.6
137.06081	15.5
147.04532	4.7
161.06078	1.2
162.06790	1.3
209.08186	6.0
221.08139	7.9
298.12057	0.9
313.14438	1.7
342.11127	10.8
357.13464	100.0
449.26712	0.8
478.76740	1.0
519.18390	1.4
519.32196	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63821	0.5
55.01893	0.7
57.11968	0.5
60.28668	0.5
71.01395	0.6
83.01386	53.8
83.32531	0.6
92.20128	0.7
121.02972	5.9
122.03750	7.6
123.04501	5.5
136.05336	5.1
137.06091	17.5
147.04515	4.6
161.06111	1.2
162.06877	2.4
179.03310	0.7
181.45050	0.6
206.05795	0.8
209.08231	4.2
214.44414	0.6
221.08237	7.8
296.23178	0.6
298.12292	1.2
313.14417	3.1
342.11093	12.1
357.13467	100.0
381.23645	0.6
461.05670	0.7
519.18555	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	519.1877
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
59.01387	31.8
64.54613	1.3
71.01382	14.7
73.02958	3.0
75.00868	2.3
83.01382	2.1
85.02958	4.9
86.71024	1.2
89.02460	12.9
96.96993	1.4
98.40267	1.2
101.02454	12.1
113.02451	5.6
121.02912	1.9
122.58456	1.1
125.02451	1.8
163.06123	1.3
176.18802	1.3
187.47282	1.3
255.01585	1.5
255.04152	1.5
268.11038	2.6
283.13309	1.7
298.12137	1.9
309.07526	1.5
311.09302	15.7
322.03571	1.4
324.10129	15.8
325.10852	1.5
339.12427	5.2
342.11102	13.3
343.11719	5.0
355.11792	3.1
357.13416	16.3
450.17099	1.3
459.22202	1.8
519.18768	100.0
519.25616	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	519.1875
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.77189	0.5
60.51403	0.5
71.01378	0.7
85.02943	0.7
101.02471	1.0
118.65618	0.6
122.03752	1.2
134.03719	0.8
136.01668	30.8
143.64702	0.7
151.04010	100.0
161.04550	0.8
163.03796	0.8
175.07668	1.2
177.05498	0.9
340.58856	0.6
342.11063	5.6
357.13474	64.0
398.66663	0.6
474.85355	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	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41657	0.8
56.86544	0.9
58.00596	4.3
59.01372	1.8
68.99802	1.3
72.08055	0.8
73.02940	7.7
92.19295	1.6
94.90524	1.0
100.89098	0.9
101.02433	1.8
117.01922	3.3
126.49974	0.8
145.01392	8.7
182.43820	1.0
191.02031	1.4
209.39470	0.9
219.19940	0.8
231.10289	1.9
254.79588	0.8
279.75931	0.9
313.14606	1.2
323.00891	0.9
328.16776	7.2
329.17609	100.0
331.19098	4.3
429.19019	1.8
457.18668	1.0
501.17609	4.8
505.56830	1.0
519.18671	20.1
519.26581	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	519.2004
Annotation	Benzoylgomisin O
Peak:m/z	Relative Intensity
50.85917	5.8
55.69254	5.6
59.01385	9.0
69.46310	6.3
70.76375	5.6
92.19452	8.0
101.02431	9.4
101.06100	12.1
109.06049	6.0
115.07646	26.0
130.63048	7.2
156.12157	6.6
175.29506	6.3
187.89841	6.7
512.01904	6.5
519.20081	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	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72469	1.0
59.01353	1.1
71.01386	2.0
85.02971	1.4
87.00875	4.9
92.20071	2.4
101.02432	1.3
101.06082	6.8
113.02467	1.4
120.36676	1.2
126.06053	1.2
128.78177	1.1
145.02914	1.9
149.02432	9.1
150.03214	37.8
162.03229	2.4
164.04788	13.7
165.05571	100.0
180.04277	2.5
195.06630	25.8
338.94757	1.3
411.16647	31.6
441.17444	1.7
519.28845	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	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.6
59.01385	29.5
64.47720	1.2
67.59052	1.2
69.03465	1.5
71.01381	13.8
73.02940	2.2
75.88190	1.2
83.01410	1.1
85.02957	5.5
89.02433	6.4
89.46490	1.1
92.20030	2.2
100.23976	1.3
101.02438	10.5
113.02408	4.8
153.05591	8.1
161.04515	2.2
167.10751	5.9
179.14372	5.8
180.07913	6.8
190.40131	1.2
195.10297	1.5
195.13899	15.3
205.12343	16.4
208.07518	1.5
223.09697	9.7
223.13396	100.0
223.76369	1.4
253.09364	12.3
357.26556	4.8
366.85364	1.2
459.14682	7.9
459.22360	40.6
471.14127	4.7
474.17032	1.8
489.19226	13.0
501.19150	2.2
519.19519	8.3
519.25488	9.3
519.32306	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	519.2604
Annotation	Striatin B
Peak:m/z	Relative Intensity
55.24728	0.8
59.01386	100.0
71.05024	8.7
92.20026	1.5
108.39646	0.9
115.03987	7.3
130.21278	0.8
154.18654	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	519.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
62.04623	1.6
63.36273	1.7
73.04713	1.5
75.04496	1.5
78.95914	2.2
97.62523	1.7
110.98552	2.7
147.39548	1.8
185.02242	1.5
289.25336	3.7
333.24371	100.0
351.25519	25.1
519.27258	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	4.1
59.01389	0.9
62.35322	0.8
64.37348	0.9
72.99308	1.0
73.02956	7.1
73.67872	0.8
101.02460	2.0
116.13148	0.9
117.01955	3.5
122.14967	1.0
145.01413	11.1
159.64987	1.0
231.10262	1.1
273.69785	1.0
313.14270	1.0
327.72208	1.0
328.16766	6.0
329.17609	100.0
331.19186	1.5
501.17224	1.8
519.18671	17.2
519.26910	27.8
546.59949	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	519.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.7
63.32724	2.6
67.57027	2.9
86.35187	2.6
87.19618	2.7
99.25707	2.9
106.26775	3.6
111.02871	2.8
145.08774	3.0
165.01749	3.4
271.89780	3.2
327.59949	3.3
329.17755	5.1
333.61807	3.3
499.63800	3.1
519.26837	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	519.2734
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
60.45550	2.5
81.16500	2.5
94.00386	2.4
100.07124	2.6
121.02952	5.0
185.70898	2.8
313.14493	3.4
519.27094	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	520.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
60.99313	12.9
61.98824	3.4
83.14643	0.4
88.98803	100.0
89.02449	0.4
92.19395	0.5
111.25626	0.4
112.20620	0.4
122.02533	0.4
137.02469	1.7
148.10747	0.5
151.04068	0.6
165.05530	0.5
178.32707	0.5
179.03491	0.7
180.11163	0.7
189.11296	0.6
239.05656	0.8
244.98708	0.5
299.07819	0.9
520.20917	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	520.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68344	0.6
73.49238	0.6
78.95910	21.8
94.60357	0.6
96.96960	3.3
134.99696	0.6
150.97964	0.8
152.53992	0.6
152.99591	100.0
171.00633	3.0
229.50070	0.6
279.23380	1.1
338.33417	0.5
433.23624	20.3
433.29422	0.7
520.26709	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84914	0.4
72.63426	0.5
78.95908	20.7
96.96967	3.2
105.08990	0.4
120.32526	0.4
150.98026	0.7
152.99588	100.0
166.63866	0.5
171.00620	4.4
196.44383	0.5
223.64560	0.5
275.40359	0.5
279.23398	1.1
433.23639	21.1
519.70447	0.5
520.26862	21.7
520.34692	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
73.30998	0.3
78.95907	21.5
88.57236	0.3
93.71314	0.4
96.96976	3.8
109.95197	0.3
111.80413	0.4
129.72523	0.3
139.25417	0.4
140.17754	0.4
150.98018	0.8
152.99586	100.0
168.93781	0.4
171.00702	3.2
250.26228	0.5
251.79851	0.4
256.93127	0.3
279.23328	1.8
433.23645	18.4
485.60803	0.4
520.26794	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	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52607	1.0
57.75677	0.9
59.01385	65.6
60.99309	12.0
69.96439	1.0
71.01384	9.5
83.45036	0.9
85.02947	2.6
88.98801	100.0
89.02436	11.5
89.86436	0.9
90.63175	0.9
99.97288	1.0
101.02423	8.1
113.02462	5.0
114.90909	1.1
119.03510	4.9
135.04517	7.0
149.44325	1.5
179.05614	1.4
179.07117	1.7
181.72360	1.2
227.03493	1.3
283.09970	1.1
311.09222	10.7
313.90082	1.2
324.88229	1.3
326.11520	7.1
329.13724	1.5
341.13776	7.7
359.11209	1.4
359.15051	4.5
383.55573	1.1
491.19049	5.3
503.19348	5.8
521.20233	14.3
521.27277	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	521.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01341	3.4
51.01930	4.1
59.01384	7.6
71.01362	6.2
76.12730	3.6
77.84183	3.9
89.02457	17.4
89.45846	3.4
101.02422	5.6
113.02439	4.3
125.02442	39.2
127.07657	16.0
131.07201	3.9
139.07657	100.0
151.00356	6.0
153.01961	21.0
165.01932	4.5
167.03464	5.6
175.00349	23.6
178.99832	9.3
183.06627	5.4
191.03497	6.3
193.01448	99.7
201.07689	73.4
215.03554	4.2
252.34904	3.9
301.03589	16.8
319.04529	39.4
323.09961	7.2
340.04684	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	521.1304
Annotation	Oxyayanin B 6-glucoside
Peak:m/z	Relative Intensity
59.01391	60.0
66.58368	2.8
67.53521	2.6
71.01377	16.8
73.02948	14.5
83.01383	4.2
85.02972	4.7
89.02435	26.3
101.02445	31.1
103.49726	2.8
113.02492	6.0
119.03496	7.0
123.04458	4.0
125.02476	5.4
128.57140	2.9
131.03522	5.3
138.26636	3.0
143.03505	5.2
151.03987	4.2
163.06119	16.5
165.01932	3.2
237.51979	3.2
239.85799	3.6
315.18106	5.5
329.03101	20.2
343.04657	100.0
344.05392	36.4
358.06970	28.8
359.07797	62.7
461.23972	76.8
485.07037	3.4
521.13306	61.8
521.20166	7.3
521.26404	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
59.01378	5.1
63.74218	0.9
71.01380	2.0
83.01379	1.7
83.88864	0.9
88.98785	1.4
89.95954	1.0
99.00880	20.0
101.02443	2.5
108.02157	1.6
109.02960	15.7
111.90915	1.0
121.02948	1.4
122.03741	2.4
123.04531	36.4
132.03053	4.3
136.01657	1.2
137.02420	8.8
137.06114	1.8
147.04529	2.1
149.06085	7.0
151.03976	1.1
160.05298	3.9
161.06052	4.0
163.04030	1.4
175.07655	3.9
176.04770	2.6
177.05513	2.2
178.06319	4.7
178.72099	1.0
179.07201	1.8
192.07880	1.6
205.05043	3.9
207.06671	8.3
209.04582	2.2
219.97401	1.0
221.04465	2.3
235.06091	5.4
282.09137	1.1
297.11331	2.2
298.08411	2.1
311.09323	1.3
313.10913	12.6
314.11581	1.4
329.13980	16.3
341.10040	2.3
344.08856	1.9
359.11386	100.0
359.14926	4.6
521.15607	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	521.1669
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
54.32483	1.1
58.01048	1.2
59.01383	4.9
62.66396	1.1
71.01375	5.9
73.02979	1.4
79.59021	1.4
85.02937	1.5
89.02439	2.2
92.20020	2.5
92.93945	1.2
99.00871	20.9
101.02437	2.7
108.02190	1.4
109.02945	21.7
118.41232	1.1
119.04987	1.2
120.78267	1.3
122.03733	7.3
123.04519	40.9
132.03041	1.6
133.03316	1.3
137.02461	10.0
137.06133	5.3
144.57475	1.4
145.02927	1.3
147.04565	1.9
148.05334	1.6
148.53647	1.3
149.06094	7.7
161.05995	4.2
163.04024	2.3
163.07639	1.8
175.07668	5.7
177.05479	2.3
178.06407	1.7
179.07082	1.5
192.07922	2.5
205.04991	1.8
207.06641	7.1
209.04625	2.6
221.04578	1.9
227.03796	1.5
235.06093	2.6
289.93744	1.3
298.08374	1.5
313.10880	10.7
315.12427	2.2
329.13974	20.4
341.10309	5.2
344.08984	3.0
344.12668	1.5
359.11380	100.0
359.14758	4.0
511.22015	1.3
521.15674	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	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24293	0.6
57.03458	1.5
69.86142	0.7
79.11491	0.7
85.02924	2.9
92.20144	0.9
121.02886	0.9
143.07066	2.6
144.90918	0.8
146.28070	0.9
167.07126	1.7
191.05624	100.0
213.05905	3.7
231.08734	4.5
392.83649	0.9
456.88208	1.0
521.13910	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
59.01385	24.2
67.45994	1.1
71.01377	13.5
73.02954	1.8
78.03867	1.2
80.19723	1.1
83.01392	1.8
85.02949	6.3
87.00859	1.7
89.02435	7.4
99.00949	1.3
101.02436	12.6
109.02958	4.7
113.02417	6.9
118.88330	1.2
119.03417	1.2
132.84979	1.2
153.03857	1.3
173.06046	1.4
311.09244	4.6
313.10889	6.5
326.11658	2.4
344.12625	28.2
359.11124	1.8
359.15070	24.8
521.20331	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	521.203
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01387	100.0
59.01690	3.1
62.44127	1.2
71.01383	50.2
73.02962	4.9
83.01371	2.6
85.02947	8.6
87.00900	1.6
89.02441	64.7
92.26528	1.2
95.01386	4.8
97.74883	1.3
100.85130	1.2
101.02439	33.9
113.02454	25.7
114.00504	1.3
119.03493	26.3
131.03522	2.2
143.03481	6.8
155.34186	1.2
160.05299	7.8
161.04535	7.9
172.05301	4.7
175.07675	2.2
178.79245	1.4
179.05611	26.2
187.07623	1.8
189.05525	2.3
190.06316	11.7
201.30453	1.5
205.08659	10.0
212.39534	1.2
244.88898	1.3
281.08252	1.3
296.10526	11.4
311.12955	4.8
329.13943	3.0
341.14041	22.5
359.11130	2.8
359.15063	4.8
384.01367	1.4
521.20447	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.48316	1.4
59.01387	20.7
62.91648	1.4
71.01373	9.1
73.02941	6.5
77.87896	1.6
83.01364	3.2
85.02936	6.5
89.02435	3.6
101.02428	10.5
101.69935	1.7
113.02434	9.3
116.87846	1.7
121.02906	2.6
126.23115	1.7
149.28590	1.6
181.08699	2.3
281.08209	14.0
282.09024	9.0
283.09665	3.9
293.08109	3.4
295.09604	3.6
297.10938	1.7
311.09183	3.6
314.11456	18.0
315.12469	7.4
326.11649	20.0
327.12271	10.2
329.13910	18.2
341.13998	14.9
343.11847	2.1
355.11823	3.9
357.13403	2.8
359.15152	3.4
409.77106	1.9
461.14490	1.7
473.14169	12.0
476.16956	14.2
488.17023	7.1
491.19287	85.7
503.19217	100.0
503.26663	3.5
521.20215	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07251	2.5
59.01109	4.1
59.01386	88.9
60.99311	3.9
68.19646	3.1
71.01376	38.4
73.02927	5.8
83.01380	3.1
83.17786	2.5
85.02943	18.4
87.00868	6.1
88.98802	36.3
89.02443	49.0
101.02423	34.3
104.31490	2.7
113.02406	20.0
119.03490	16.1
121.02956	39.3
123.04530	2.9
135.04506	19.7
137.06020	5.1
155.10748	4.1
155.53185	3.0
179.05679	5.8
179.07135	4.9
181.05029	2.9
181.08698	3.4
181.12332	16.4
190.06352	5.9
205.08551	4.0
225.11140	2.9
227.03459	5.1
283.09879	4.9
296.10602	5.7
297.14911	4.1
311.09317	25.1
311.12473	3.9
326.11575	18.2
329.13992	14.6
341.13928	26.7
359.11127	4.4
359.14948	16.0
491.19113	14.4
503.19217	13.4
521.20404	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49349	0.5
59.01376	5.7
71.01389	2.5
73.02987	0.6
85.02968	1.0
89.02427	1.0
92.05714	0.6
101.02435	1.3
109.02936	14.0
113.02483	0.7
122.99155	0.7
159.04514	8.4
160.05273	0.9
161.04634	0.5
161.06079	1.2
163.07622	1.4
172.05287	0.6
173.06068	6.5
175.09705	1.2
181.08698	3.4
189.05563	5.5
191.07190	2.6
201.11453	0.6
203.07140	2.4
205.08736	0.7
219.06625	0.9
232.97179	0.6
241.05038	5.0
255.06607	3.9
289.00821	0.5
297.11392	1.4
299.09195	2.9
313.10822	15.9
329.10303	8.0
341.10352	0.9
343.11917	1.3
344.12656	71.5
359.15045	100.0
521.20197	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	521.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
75.38387	0.6
80.94685	0.7
113.74074	0.8
114.12132	0.7
120.50822	0.7
149.06097	1.1
203.01343	0.8
231.10297	5.7
313.14508	3.9
328.16891	7.2
329.17596	100.0
371.01501	0.8
419.18973	0.8
477.22873	73.7
521.21881	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	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59407	1.2
53.02568	1.2
54.59911	1.2
55.01882	2.0
59.01384	100.0
61.98848	2.4
66.99896	1.3
71.01380	47.4
73.02953	12.3
78.63595	1.4
81.03466	1.6
83.01382	7.1
85.02957	13.0
87.00869	1.9
87.61016	1.4
89.02436	52.1
95.01378	2.9
97.02928	6.9
99.00892	1.6
101.02448	31.4
113.02434	17.4
119.03497	6.0
121.02952	1.7
123.04517	45.0
125.02450	12.3
131.03508	9.9
143.10828	3.3
147.04512	21.5
149.04543	13.6
153.05557	75.6
161.04564	2.1
167.03560	3.1
167.10771	50.4
179.10788	2.1
181.08691	2.0
181.67514	1.5
189.85765	1.7
191.05527	2.7
216.12317	1.6
220.06889	1.4
228.18126	1.6
234.08307	1.6
293.08786	42.4
297.15143	1.5
304.78748	1.5
315.16281	3.3
341.13742	2.3
341.23297	1.6
343.12433	1.5
357.13956	1.6
359.14957	9.7
359.24377	6.6
359.28186	14.5
384.21185	1.4
400.12097	1.4
461.20453	7.7
477.21729	2.4
479.26846	1.8
521.20355	35.1
521.33411	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2394
Annotation	Taxuyunnanine R
Peak:m/z	Relative Intensity
50.46940	0.3
52.07297	0.3
53.91140	0.3
63.63794	0.3
73.55659	0.3
87.04520	0.6
88.55458	0.3
89.30215	0.3
94.12248	0.3
110.26064	0.3
121.02953	100.0
149.06326	0.4
152.00430	0.3
213.09315	0.4
231.10277	0.3
239.10832	0.4
243.10455	0.3
246.74892	0.3
257.11853	0.5
269.11920	0.5
287.12857	0.4
305.14059	0.4
323.14874	0.6
341.16092	1.4
391.21429	0.4
399.20215	13.6
521.24152	4.1
521.31348	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	521.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
59.93830	0.3
71.01373	1.2
83.01389	0.7
89.02457	0.5
92.20142	0.3
101.02437	0.3
105.59880	0.3
113.02434	0.5
121.02953	2.5
122.03754	3.9
124.73075	0.3
137.06070	0.5
146.03728	0.5
160.05252	0.7
161.06068	2.2
167.07133	100.0
173.06058	0.4
179.07108	0.4
184.97691	0.3
205.05090	0.6
238.20877	0.4
279.45547	0.3
281.08087	0.4
282.09091	0.4
297.11328	2.1
317.21295	1.9
318.21616	4.4
341.10309	2.9
341.13773	0.4
343.11981	0.7
359.14893	2.6
461.25397	0.5
521.23376	2.6
521.30969	0.5
521.33667	0.5
536.21454	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	521.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08346	0.4
57.03432	0.4
59.01393	0.5
61.98831	0.6
71.01376	0.8
73.02953	2.5
81.62298	0.4
85.02946	3.6
87.04494	0.8
87.31947	0.5
103.53896	0.4
121.02954	100.0
123.08184	1.0
125.02445	0.6
125.06107	0.6
133.70485	0.4
149.06084	0.7
150.17740	0.5
213.09053	0.6
231.10210	0.6
251.10736	0.6
251.13008	0.6
257.11871	1.2
268.75717	0.5
273.14948	1.0
287.12790	0.6
301.18118	2.2
319.19214	2.1
334.08139	0.5
343.19186	0.9
359.15070	1.1
361.20258	1.9
389.23410	0.6
399.20337	11.0
521.12366	0.7
521.23608	4.0
521.31146	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93436	49.9
59.01375	73.0
66.85265	44.8
67.84210	46.1
89.47107	50.2
120.28133	47.7
124.12312	45.4
142.04350	48.7
144.30586	54.6
149.33856	46.4
179.07137	100.0
190.10527	43.9
325.82819	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	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22393	1.2
57.03458	1.5
59.01097	2.5
59.01387	54.0
60.58595	1.3
71.01385	23.8
73.02954	11.9
77.29511	1.1
83.01404	9.3
83.01836	1.2
85.02950	15.2
89.02451	6.3
92.20084	2.5
99.00871	5.6
101.02437	37.7
113.02486	13.3
119.03452	1.8
125.02438	1.9
137.95081	1.2
143.03578	1.3
159.03024	2.2
161.04565	8.4
277.29239	1.3
315.18289	18.0
335.09464	1.5
461.24057	100.0
516.12421	1.5
521.27618	9.6
527.17889	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	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84634	1.0
54.25051	0.9
57.03469	1.2
59.01390	24.7
59.76774	1.0
71.01382	20.7
73.02956	13.2
83.01391	7.7
85.02939	12.0
89.02454	5.7
92.20113	1.3
99.00870	4.6
101.02446	37.5
108.22835	1.1
113.02442	18.5
123.04478	1.4
125.02468	1.8
138.85109	1.1
143.03439	1.4
159.02957	2.2
161.04553	14.4
161.57587	1.4
161.79936	1.2
181.63524	1.0
203.74438	1.2
215.48157	1.2
274.26849	1.1
299.53253	1.2
315.18210	23.6
391.12820	1.2
461.23987	100.0
464.02176	1.2
521.24780	1.9
521.32312	10.8
522.38904	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	521.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75899	0.9
59.01390	21.4
63.13840	0.9
69.02604	0.9
71.01385	22.2
73.02953	12.9
75.00870	3.7
77.07127	0.9
78.95911	2.2
81.03458	1.0
83.01398	6.8
85.02519	1.0
85.02936	9.7
89.02459	4.5
96.96020	13.1
96.96949	11.1
99.00887	5.2
101.02441	32.3
113.02441	19.2
123.90110	1.1
125.02440	1.3
153.56934	1.2
159.02956	4.3
161.04565	20.7
204.63647	1.0
315.18320	19.5
331.19305	1.5
461.23929	100.0
521.19812	2.0
521.26440	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	521.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21106	1.6
59.01382	10.9
78.72520	2.2
85.54632	2.0
92.19499	3.5
101.02457	2.6
121.26579	2.2
125.02348	2.5
144.44133	2.2
246.74200	2.0
266.99469	2.1
342.31903	2.5
350.95880	2.0
397.06467	2.2
521.20074	7.1
521.27155	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	521.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98828	1.2
71.01373	15.5
73.02956	6.4
85.02971	7.5
89.02462	7.4
101.02447	12.9
108.44535	1.2
113.02438	9.7
119.03532	2.3
121.02953	1.2
123.04508	24.9
133.04933	1.1
153.05568	40.5
161.04578	5.7
161.33418	1.3
174.68954	1.2
179.10706	2.1
181.08691	5.3
267.19366	1.2
315.15994	4.5
341.23471	4.7
359.15054	12.3
359.24387	12.6
359.28036	3.0
461.24847	23.4
477.21436	2.6
521.20007	18.2
521.27271	10.9
521.32947	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2887
Annotation	Azadironol
Peak:m/z	Relative Intensity
52.65815	0.9
55.78583	0.8
70.83415	1.0
78.45702	1.0
92.20092	2.8
102.95175	1.2
147.11794	2.4
149.13315	2.3
171.58951	1.1
191.14459	2.2
193.12346	1.9
197.89034	0.9
205.15991	100.0
221.15466	16.5
236.56464	1.1
249.14969	78.6
271.12973	1.0
367.67621	1.1
521.28900	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34713	1.2
55.55464	1.1
59.01397	1.6
63.24156	1.6
76.29271	1.3
77.93681	1.4
91.04028	2.1
92.19496	1.6
96.26965	1.3
108.24857	1.5
133.02966	12.1
134.03708	6.5
148.05316	3.3
160.01640	10.1
161.02431	19.0
175.02528	2.7
175.04004	69.7
193.05045	6.7
271.22748	8.6
290.07312	1.4
345.20773	2.1
373.61530	1.3
392.62323	2.0
392.80017	1.3
397.22104	1.4
415.24768	10.4
429.26382	12.2
433.25912	3.4
447.27582	23.1
506.28778	2.4
521.31183	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
55.70032	0.6
57.03453	2.5
57.34314	0.5
59.01098	1.1
59.01384	18.6
61.98828	0.7
62.23296	0.7
65.66449	0.6
67.04743	0.6
67.43320	0.5
71.01383	22.2
73.02944	13.1
75.00872	0.9
83.01397	7.0
85.02955	18.4
87.00880	1.3
87.04504	1.0
89.02431	3.7
92.23002	0.7
95.01390	1.6
99.00890	3.4
101.02445	28.1
101.03104	1.1
111.00881	4.5
113.02451	10.8
119.03510	0.7
121.02944	9.4
125.02460	2.9
129.01973	1.5
132.25417	0.7
137.02409	1.2
159.03017	1.0
159.10249	1.1
161.04663	0.9
177.33076	0.6
179.07193	0.8
203.07242	1.0
217.08623	0.8
221.08197	0.8
233.22800	2.6
273.14893	0.7
276.64908	0.6
297.15103	0.8
301.18109	0.8
311.09503	1.2
315.16211	0.9
331.15720	1.0
341.13870	7.0
359.11197	0.9
359.15048	9.3
359.28098	1.4
521.21576	12.1
521.33356	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00241	0.8
57.03427	1.2
59.01387	47.0
71.01379	32.8
73.02944	8.6
83.01382	4.6
85.02944	12.6
87.00874	1.5
89.02439	26.7
95.01381	2.4
99.00859	1.3
101.02448	29.0
102.80430	1.0
113.02438	15.2
119.03489	7.1
127.90455	1.1
129.85265	1.0
159.03050	1.3
161.04575	4.5
168.68526	1.0
222.29420	1.1
227.51076	1.0
233.22661	1.4
257.11789	1.3
359.14923	5.5
359.28040	6.5
399.19797	1.7
521.20551	3.7
521.33429	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94605	0.5
59.01383	12.6
71.01379	6.3
73.02952	1.2
76.79005	0.6
83.01385	0.8
85.02935	3.3
89.02442	4.7
92.20132	1.3
101.02435	6.8
113.02403	3.7
119.03474	1.3
185.86800	0.6
202.39326	0.6
218.12279	0.6
267.74615	0.6
268.70737	0.7
292.95282	0.6
313.23950	0.9
341.26947	6.3
357.26761	0.8
359.28061	35.1
446.81290	0.7
503.32376	3.0
518.71796	0.8
521.33319	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	521.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50419	0.5
59.01384	44.9
61.98837	0.5
62.86158	0.6
67.03379	0.6
71.01381	8.8
73.02948	3.7
81.59668	0.6
83.01393	1.3
85.02947	4.9
87.00870	1.0
89.02460	4.4
89.60313	0.6
95.01411	0.8
95.63049	0.6
99.00889	1.0
101.02453	10.6
108.94530	0.7
113.02446	4.8
119.03496	1.0
121.02979	0.7
125.02483	0.7
155.79857	0.6
175.02487	1.1
213.09334	0.7
227.10846	0.8
297.15024	0.8
315.16211	0.8
341.26907	2.7
345.17172	0.8
359.28021	19.2
461.25397	1.4
461.31152	0.8
503.32126	0.7
521.20319	3.7
521.33350	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.8
65.90250	0.8
71.01374	8.3
73.02968	1.8
83.01378	1.9
85.02944	4.4
89.02456	5.8
92.19436	1.7
94.46180	0.9
95.01408	1.2
96.54877	0.9
99.00888	1.0
99.71094	1.0
101.02451	9.0
103.63312	0.9
112.50684	0.9
113.02449	4.2
119.05011	1.2
125.02407	1.1
147.18172	1.0
149.06071	3.5
151.04027	1.1
167.07153	9.9
176.04808	1.3
190.06404	1.3
191.03572	1.1
235.05971	0.9
239.66624	0.9
261.57813	1.0
292.11783	0.8
341.10367	1.4
341.26999	8.7
357.09958	1.4
359.14780	1.1
359.28043	36.6
371.11395	7.8
448.73529	0.9
477.30695	1.0
503.32104	1.5
521.33337	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	523.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01363	1.0
52.42639	1.1
57.79890	1.0
59.01387	24.0
71.01379	13.3
85.02936	2.6
85.06012	1.5
89.02456	14.6
101.02457	9.6
113.02450	8.0
119.03513	2.9
121.02953	100.0
135.04527	39.4
163.04027	2.8
164.04802	12.0
167.07249	1.2
179.07138	9.2
193.08688	2.8
194.73596	1.4
232.40919	1.3
299.16516	28.0
301.14560	2.7
317.17484	2.4
321.26395	1.3
323.65305	1.5
325.14587	4.5
341.12509	5.8
343.15466	6.9
361.16565	12.1
463.16190	5.7
463.22208	1.6
479.22760	1.5
523.21924	63.7
523.30566	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	523.1827
Annotation	6'-O-E-p-Methoxycinnamoylharpagide
Peak:m/z	Relative Intensity
50.48318	1.0
51.60321	1.0
59.01385	26.4
60.70842	0.9
62.03511	1.1
65.67965	1.1
68.64483	1.1
71.01383	15.6
73.02926	1.6
80.66187	1.1
83.01408	1.1
85.02942	2.5
89.02448	14.5
94.12868	1.1
101.02437	10.8
113.02433	2.9
119.05035	1.3
125.02370	1.4
125.84921	1.2
130.30550	1.3
131.03531	1.3
134.03673	1.2
135.04527	2.7
136.05295	6.2
145.02982	12.7
146.03743	2.9
149.06023	5.7
155.10748	7.0
159.02898	1.2
161.04672	1.9
161.06062	5.4
162.03223	47.5
163.03978	7.3
177.05579	48.7
195.06624	33.2
199.09752	7.9
223.09804	2.4
239.07153	1.2
254.09465	7.2
301.13007	1.6
308.05072	1.2
331.17435	1.6
355.11606	4.3
361.15079	2.3
463.21899	18.5
523.18152	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	523.1843
Annotation	8-O-E-p-Methoxycinnamoylharpagide
Peak:m/z	Relative Intensity
52.59263	0.4
53.78187	0.5
56.38261	0.5
59.01376	2.6
62.14030	0.5
71.01373	0.7
85.02958	4.3
93.03474	1.1
99.71444	0.6
111.04550	0.8
113.02462	0.6
121.02937	1.1
127.03973	0.9
173.04552	2.0
173.80592	0.5
191.05632	87.6
192.06012	2.5
217.05232	2.5
259.06308	0.7
287.05786	6.5
301.07401	1.0
343.12112	3.0
349.13165	4.2
361.13034	1.2
379.10629	1.0
400.25430	0.6
403.14435	0.6
512.70001	0.6
523.18439	100.0
535.13007	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	523.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.5
69.05985	5.3
71.01379	7.9
75.00881	9.6
79.53770	5.7
89.02430	5.6
92.20013	10.2
117.64017	4.6
121.65192	5.0
147.00374	4.8
211.13779	5.5
267.97299	5.5
317.17502	12.3
343.15598	31.7
361.16614	46.5
477.23630	6.0
523.19855	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	523.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49059	1.7
54.42641	1.9
59.01385	35.6
62.38594	1.9
64.48390	1.9
71.01375	3.6
71.28984	2.1
73.02959	3.3
76.56136	2.4
78.30769	2.1
83.01387	20.0
85.02972	2.9
93.03444	3.7
99.04511	11.1
101.02471	2.1
107.04974	4.0
109.02939	4.8
113.02405	2.9
121.02937	5.0
122.03716	11.1
123.04510	24.0
126.43193	2.6
131.05022	2.7
134.03741	4.9
135.04514	25.3
150.03212	14.0
153.05560	18.5
161.06111	4.3
163.03926	2.4
165.01717	2.7
165.05542	15.0
177.01973	4.5
181.08691	32.8
218.02217	5.4
218.57045	2.4
219.02922	20.5
221.08197	2.7
253.09276	4.5
255.10385	3.9
265.43286	2.8
270.08621	3.3
271.13391	2.9
287.22220	28.4
325.10724	3.1
327.12363	4.1
343.11908	7.9
343.15509	19.5
357.13416	19.3
361.16605	42.9
367.11700	3.2
381.13446	3.2
391.23096	3.5
399.14807	2.9
475.17542	36.9
487.17688	8.5
493.18597	4.0
495.51453	2.6
505.18643	9.3
523.20325	100.0
543.06506	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	523.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15895	0.7
56.86984	0.8
59.01384	84.9
64.86111	0.9
71.01380	1.2
80.42671	0.8
92.20121	1.7
101.02380	1.0
102.21926	0.8
116.78990	0.9
121.02948	100.0
123.04483	1.2
179.66687	0.8
182.51709	1.0
231.10355	1.2
313.14355	3.7
314.15402	0.9
315.15866	1.8
323.12421	1.1
328.16788	1.4
329.17511	1.6
331.19049	6.6
341.13922	5.0
343.15625	1.4
344.16373	8.3
349.49130	0.9
359.15164	1.1
463.17752	5.0
479.24155	4.0
505.22031	1.7
523.21484	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	523.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68830	1.2
56.99154	1.2
59.01390	35.0
65.53735	1.3
71.01379	19.5
71.07951	1.3
85.02946	1.8
89.02446	22.4
99.00861	2.6
101.02441	15.6
108.84700	1.5
113.02451	9.3
119.03497	10.7
138.05667	2.1
153.04311	9.2
165.05528	3.2
166.05034	2.6
168.06688	8.0
188.07048	1.6
201.02562	1.5
209.06970	2.8
225.44171	1.3
227.87177	1.3
235.07253	7.2
238.09584	7.5
250.09615	11.4
265.11960	5.5
283.13007	7.4
445.18317	100.0
463.19324	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72556	1.0
59.01382	26.7
63.88796	1.2
71.01383	13.4
73.02946	5.3
83.01388	2.9
85.02939	8.1
89.02442	7.9
99.00877	1.8
101.02434	9.6
108.02185	1.3
113.02439	5.7
119.03440	2.3
121.02916	2.9
122.03716	8.7
124.71667	1.1
131.43739	1.2
137.02452	1.5
165.05563	24.3
179.07155	7.2
197.08185	1.5
250.58736	1.2
298.12067	1.5
313.14474	2.9
315.12463	1.4
328.13080	2.5
331.15576	1.7
343.15408	7.0
346.14301	14.5
361.16614	54.1
407.76474	1.3
523.21857	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	523.2187
Annotation	Icariside E3
Peak:m/z	Relative Intensity
59.01389	5.7
71.01369	1.5
73.02959	1.5
78.92161	0.7
83.01357	0.8
83.05001	0.9
85.02950	1.2
89.02427	1.4
101.02429	4.8
113.02469	1.0
117.48340	0.9
159.10252	1.5
166.06351	2.9
179.22995	0.8
181.08713	11.1
230.82707	0.8
268.10309	0.7
301.14429	1.5
313.14420	1.3
329.14169	1.6
330.14661	3.7
331.15533	72.2
343.13943	5.6
360.15903	6.1
361.16592	96.2
463.30643	4.5
523.21863	100.0
534.73315	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	523.2187
Annotation	Icariside E3
Peak:m/z	Relative Intensity
50.81339	0.8
57.03441	1.4
59.01386	19.4
66.76459	0.8
69.61442	1.0
70.26553	0.9
71.01387	15.3
73.02953	9.0
75.47707	1.0
83.01357	6.7
83.08819	0.9
85.02945	13.0
87.00867	1.2
89.02441	4.6
92.19437	1.7
95.01376	1.1
99.00865	1.8
101.02444	23.3
109.06268	0.9
109.81851	0.9
113.02417	8.8
164.04671	1.1
164.82251	0.9
166.06375	14.6
167.07115	2.4
179.07161	1.6
181.08713	53.2
243.16925	1.0
283.51974	1.0
307.42188	0.9
331.15552	10.2
343.14008	31.3
361.16678	18.0
463.30591	2.4
523.21808	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	523.2185
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.03442	0.7
52.16101	0.8
59.01153	0.7
59.01387	15.3
61.92149	0.8
71.01379	9.6
71.95673	0.9
73.02943	4.0
75.22575	0.9
76.98415	0.8
83.01398	1.1
83.77797	0.8
83.98144	0.8
85.02941	4.5
89.02439	8.0
101.02439	11.0
109.02932	1.5
113.02434	3.8
121.02987	1.4
122.03715	8.7
123.04553	1.0
136.05276	1.7
155.10701	1.8
165.05527	19.7
179.07150	1.6
271.51599	1.0
298.12125	1.9
313.14575	1.8
328.13217	1.2
343.15466	1.2
346.14255	11.9
347.15152	0.9
349.79306	1.1
361.16589	49.3
466.61169	0.9
523.21826	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	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
59.01384	37.5
59.84766	1.3
67.70705	1.3
71.01381	20.9
73.02944	1.3
76.85411	1.5
83.01366	2.4
83.51608	1.3
85.02955	3.3
89.02434	22.1
92.19466	3.1
97.55712	1.5
97.95338	1.4
99.04449	1.3
101.02448	19.7
101.23487	1.3
102.35175	1.3
113.02428	11.8
119.03510	7.7
121.02951	99.7
126.60626	1.6
135.04529	42.7
151.96959	1.8
163.03992	8.0
164.04749	11.9
179.07076	12.8
193.08698	2.5
195.01805	1.6
278.33246	1.5
299.16510	55.6
301.14606	2.8
317.17361	1.9
318.66052	1.9
325.14594	2.0
331.15701	5.3
338.53790	1.6
341.12433	2.8
343.15540	3.4
361.16577	12.3
463.16144	7.9
463.22025	2.8
479.23291	2.1
523.21899	100.0
523.30902	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	523.2191
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.68538	0.5
59.01382	3.3
60.69760	0.6
71.01369	1.3
79.68176	0.6
85.02966	1.2
89.02457	1.5
104.71053	0.7
109.02952	2.3
113.02470	0.6
113.90461	0.6
121.02955	4.8
122.03744	10.1
123.04462	0.8
134.03728	1.1
135.04532	4.2
136.04051	0.6
136.05292	1.2
147.04585	0.6
155.10768	1.4
165.05568	27.3
179.07166	8.5
199.09727	1.0
223.09859	0.7
298.12204	0.6
313.14529	1.2
315.12427	3.6
346.14215	13.6
361.16605	100.0
425.32559	0.8
523.21332	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98783	1.3
59.01384	11.2
59.07414	1.2
71.01382	22.6
73.02947	11.5
77.00840	1.4
85.02944	9.6
85.59434	1.4
89.02438	7.9
91.10657	1.5
98.01723	1.7
101.02431	28.4
102.37642	1.6
104.18581	1.5
104.78899	1.5
111.00811	1.9
113.02458	17.6
123.04502	1.6
131.03503	1.4
137.02417	1.8
143.03500	1.7
153.43039	1.5
159.02936	3.2
161.04581	19.8
169.19144	1.4
193.05017	2.2
202.14203	1.8
240.32188	1.6
290.69778	1.4
331.17551	8.7
338.70346	1.8
463.21912	100.0
523.14331	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	523.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55663	1.2
53.93140	1.2
56.66743	1.2
59.01386	22.0
71.01402	1.8
99.04520	100.0
130.96851	1.4
133.06586	1.7
135.04521	1.8
165.05714	1.8
185.09752	2.2
187.80180	1.7
190.20734	1.4
213.09160	1.5
223.11229	1.7
225.09303	1.5
239.10738	5.3
251.10704	6.9
257.11911	2.2
269.11856	6.4
305.13962	34.9
365.15967	5.8
414.48300	1.4
442.15555	1.4
453.87885	1.8
476.74683	1.6
523.26300	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	523.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48653	2.7
51.78995	2.6
52.31097	2.8
53.78396	2.6
55.73963	2.4
59.01103	3.7
59.01388	100.0
65.28163	3.6
72.44521	2.4
98.15064	2.5
104.80321	3.1
162.98622	2.8
210.40141	2.9
416.75851	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	523.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72117	2.4
57.00496	2.4
58.16230	2.5
59.01097	4.9
59.01384	100.0
61.34103	2.6
62.19842	2.7
77.64620	2.9
81.69933	2.7
131.48946	3.4
147.04492	58.2
164.10077	2.7
177.09396	3.1
183.54274	2.9
238.27155	3.0
238.32951	3.0
257.66409	3.3
463.24948	29.4
523.26733	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87204	0.8
57.00456	0.7
57.03435	0.8
59.01384	100.0
61.98838	1.4
71.01383	6.1
72.30615	1.1
73.02940	3.4
73.48101	1.0
77.77947	0.9
83.01384	1.1
85.02939	1.8
86.60253	0.9
89.02428	2.3
99.00829	0.8
101.02431	5.7
113.02424	2.1
121.02925	0.9
125.02417	4.0
135.08142	1.9
141.19099	1.0
141.80667	0.9
156.00931	1.0
158.92603	0.9
161.04503	7.3
301.21741	74.0
325.23724	1.2
327.21774	1.5
361.16476	4.0
376.98608	1.0
449.29056	2.2
459.97980	1.1
461.29349	7.6
463.26736	13.9
479.29855	1.6
523.32275	13.0
534.06842	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	523.2914
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.05057	0.9
59.01385	100.0
71.01380	11.8
73.02961	2.2
83.01367	1.7
85.02938	6.8
85.94750	1.1
89.02451	4.9
96.37536	1.1
99.00873	1.7
99.04531	1.7
101.02425	9.1
102.62495	1.2
112.24440	1.1
113.02460	7.7
161.04570	5.1
164.93063	1.1
168.22563	1.1
219.90546	1.1
223.35635	1.1
301.21600	1.3
330.01834	1.2
384.04614	1.0
447.17737	1.0
463.27014	37.0
502.01511	1.1
523.21277	5.0
523.28906	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	523.2915
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
59.01385	100.0
62.85755	1.0
64.52910	0.9
71.01373	5.4
83.10372	1.1
85.02950	2.0
89.02412	1.8
99.00867	1.3
100.47474	1.0
101.02439	5.3
113.02457	2.2
137.02423	1.1
161.04497	1.1
180.11272	1.0
193.86191	1.1
296.26425	1.1
329.17648	2.2
361.16583	1.3
463.26923	19.6
463.32803	1.2
490.85669	1.1
523.22498	2.7
523.29266	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2917
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.12591	1.4
56.78323	1.7
59.01355	1.9
66.54163	1.6
85.06534	1.8
85.81395	1.6
89.24212	1.6
96.95999	2.5
97.06586	43.2
101.09600	1.8
116.76803	1.7
121.06301	1.8
129.09167	6.8
155.10742	1.8
173.11806	42.2
205.00604	1.7
227.14417	35.8
245.15459	12.2
401.26840	10.5
419.28058	78.8
463.27066	16.3
523.21143	4.3
523.28894	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	523.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13702	0.7
57.03455	0.8
59.01383	40.3
59.52335	0.8
61.04128	0.7
71.01379	15.4
71.65154	0.8
71.65833	0.7
71.67313	0.8
72.82198	0.7
73.02948	4.4
75.00852	0.9
77.30656	0.7
83.01388	1.6
85.02950	6.9
87.00838	1.4
89.02451	3.3
95.01395	0.9
99.00945	1.1
101.02448	8.8
112.01660	1.0
113.02426	6.5
125.02457	1.7
129.38252	0.7
165.48074	0.8
219.79779	0.9
269.21286	3.3
287.22290	41.8
329.23193	1.8
345.62344	0.9
431.26523	100.0
438.26941	1.0
449.27554	36.9
517.29053	1.0
523.21259	1.3
523.28687	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	523.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13702	0.7
57.03455	0.8
59.01383	40.3
59.52335	0.8
61.04128	0.7
71.01379	15.4
71.65154	0.8
71.65833	0.7
71.67313	0.8
72.82198	0.7
73.02948	4.4
75.00852	0.9
77.30656	0.7
83.01388	1.6
85.02950	6.9
87.00838	1.4
89.02451	3.3
95.01395	0.9
99.00945	1.1
101.02448	8.8
112.01660	1.0
113.02426	6.5
125.02457	1.7
129.38252	0.7
165.48074	0.8
219.79779	0.9
269.21286	3.3
287.22290	41.8
329.23193	1.8
345.62344	0.9
431.26523	100.0
438.26941	1.0
449.27554	36.9
517.29053	1.0
523.21259	1.3
523.28687	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	523.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13702	0.7
57.03455	0.8
59.01383	40.3
59.52335	0.8
61.04128	0.7
71.01379	15.4
71.65154	0.8
71.65833	0.7
71.67313	0.8
72.82198	0.7
73.02948	4.4
75.00852	0.9
77.30656	0.7
83.01388	1.6
85.02950	6.9
87.00838	1.4
89.02451	3.3
95.01395	0.9
99.00945	1.1
101.02448	8.8
112.01660	1.0
113.02426	6.5
125.02457	1.7
129.38252	0.7
165.48074	0.8
219.79779	0.9
269.21286	3.3
287.22290	41.8
329.23193	1.8
345.62344	0.9
431.26523	100.0
438.26941	1.0
449.27554	36.9
517.29053	1.0
523.21259	1.3
523.28687	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	523.3281
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
52.82011	13.6
57.95329	14.1
59.01379	71.2
60.49683	14.3
60.67706	14.5
74.24921	16.8
81.02637	16.6
85.29454	18.6
142.00421	17.7
218.46278	17.7
299.60669	21.2
329.99490	19.0
523.08234	22.2
523.32654	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	523.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.26346	0.7
70.69132	0.8
85.02904	1.0
101.02432	1.1
143.10803	1.1
301.17957	0.8
463.30945	11.3
523.32208	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	523.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.19196	0.9
63.51336	0.9
65.42519	1.0
71.01409	1.2
77.15148	0.9
77.95208	0.8
82.42323	0.9
85.02943	2.2
85.96802	0.8
88.98830	1.1
89.02443	2.1
101.02493	1.0
137.02425	1.5
149.04738	1.0
155.10770	4.0
189.61504	0.9
199.09760	1.1
205.08612	1.1
299.16260	1.2
301.18497	1.0
343.15411	4.6
361.16565	11.8
435.11609	0.9
463.30521	10.9
523.21881	16.4
523.32745	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3276
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
55.18529	0.8
57.03414	1.1
58.42754	0.9
59.01374	1.1
59.88018	0.8
62.77876	0.9
71.01380	2.0
72.02151	4.4
73.02962	9.4
85.02953	10.9
85.06551	1.3
87.04523	1.4
89.81245	0.9
92.19477	1.0
98.19391	1.0
101.64064	0.9
111.07446	1.8
111.08157	32.8
113.06049	1.6
115.07632	7.9
123.08134	6.9
125.06055	2.0
125.62084	1.1
125.95715	1.1
127.07667	1.7
129.09232	4.5
141.09222	18.0
149.09619	1.0
149.61382	1.0
159.10251	4.9
164.18219	0.9
167.10837	7.5
203.12901	48.3
224.28714	1.1
231.14040	1.2
249.14960	1.6
273.14960	1.9
285.14871	1.1
301.18167	4.0
319.19174	4.0
343.18872	1.1
373.20096	1.3
395.26056	2.3
413.26886	1.3
520.92090	1.2
523.32867	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	523.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18529	0.8
57.03414	1.1
58.42754	0.9
59.01374	1.1
59.88018	0.8
62.77876	0.9
71.01380	2.0
72.02151	4.4
73.02962	9.4
85.02953	10.9
85.06551	1.3
87.04523	1.4
89.81245	0.9
92.19477	1.0
98.19391	1.0
101.64064	0.9
111.07446	1.8
111.08157	32.8
113.06049	1.6
115.07632	7.9
123.08134	6.9
125.06055	2.0
125.62084	1.1
125.95715	1.1
127.07667	1.7
129.09232	4.5
141.09222	18.0
149.09619	1.0
149.61382	1.0
159.10251	4.9
164.18219	0.9
167.10837	7.5
203.12901	48.3
224.28714	1.1
231.14040	1.2
249.14960	1.6
273.14960	1.9
285.14871	1.1
301.18167	4.0
319.19174	4.0
343.18872	1.1
373.20096	1.3
395.26056	2.3
413.26886	1.3
520.92090	1.2
523.32867	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	523.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52857	0.8
58.05122	1.0
59.01386	100.0
71.01380	4.4
74.95189	1.0
83.01424	1.2
83.05032	6.7
85.02935	7.7
88.98808	1.3
89.02441	1.9
113.02427	2.1
135.04529	1.3
140.74260	1.1
159.10248	8.7
167.07127	2.2
179.05679	1.1
184.67798	1.2
199.36922	1.1
257.15445	4.0
275.16354	2.4
319.19080	7.4
377.82599	1.3
435.11090	1.2
445.29602	4.5
463.30750	30.9
475.17603	1.3
503.30823	1.3
505.18634	1.4
523.20819	5.1
523.33313	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	524.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67905	1.4
54.08300	1.2
56.66765	1.3
58.34079	1.4
61.30682	1.3
72.84169	1.5
88.04042	32.7
98.06845	1.4
110.47959	1.3
111.04516	3.3
121.03019	1.6
124.78242	1.4
125.02448	54.4
129.08141	1.5
137.02452	17.2
139.04025	13.3
146.08229	12.3
151.03957	1.6
164.01126	2.3
165.01930	14.7
167.03473	19.2
178.94958	1.3
179.03526	12.3
183.62621	1.6
203.03471	2.1
203.13475	1.4
218.10336	36.1
219.06612	10.9
221.04565	3.4
235.32649	1.5
261.07599	2.7
261.87442	1.5
272.12851	1.6
305.06699	100.0
376.49008	1.8
425.11627	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	525.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03974	0.3
67.01586	0.2
67.01878	1.8
71.68372	0.2
71.80077	0.2
78.90759	0.2
81.03443	0.4
89.02421	0.3
96.96929	0.5
102.13316	0.2
109.02946	100.0
113.02550	0.2
121.02940	1.6
132.56740	0.2
139.04012	8.3
183.02980	31.6
191.05653	0.5
249.63809	0.2
525.15082	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	525.1615
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
55.06186	1.8
56.50502	1.8
59.01361	2.7
82.26447	1.6
85.02950	2.3
89.02448	1.8
97.02966	16.5
97.57879	1.7
101.34997	1.9
107.73077	1.8
112.25912	1.8
123.04543	3.8
134.03737	15.0
135.04538	13.7
136.86899	2.0
137.02492	13.4
138.03261	2.0
139.03986	3.9
146.03731	3.9
149.06073	62.0
149.07175	3.3
151.04074	3.9
161.06053	16.4
163.03972	3.3
164.04796	10.0
165.01949	3.9
165.05573	22.3
166.02744	1.8
166.06342	10.8
167.03508	2.4
167.07132	80.7
177.05602	1.8
179.03525	3.2
179.07146	44.5
193.08632	2.1
195.06512	1.8
214.12570	1.7
217.08687	2.8
219.06642	7.3
220.07356	2.2
221.08130	7.7
235.09723	4.2
242.83186	2.0
244.07358	12.4
259.09677	4.2
285.07608	14.2
298.04617	2.5
303.08749	100.0
315.12399	23.6
327.08707	12.2
327.12393	2.8
329.12366	3.3
345.09650	6.0
345.13409	15.3
357.09912	2.3
363.14435	29.7
416.64651	2.2
465.14151	14.1
525.22150	3.3
525.29340	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	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93528	1.5
56.60123	1.9
59.01387	29.5
70.37854	2.3
71.01373	19.5
85.02946	2.0
86.31971	2.0
87.00912	2.1
89.02429	18.7
94.62688	2.6
95.07695	1.8
101.02431	11.7
113.02438	9.3
119.03524	9.0
121.70396	2.2
122.03695	3.1
127.45033	2.1
134.03722	26.3
135.04536	4.0
146.03732	52.3
147.04538	12.7
149.06079	48.5
149.11133	2.1
150.03305	2.1
161.04848	3.0
161.06088	52.0
164.04788	34.9
165.05579	2.9
166.06355	4.8
167.07149	36.8
179.05618	22.9
179.07144	100.0
193.08649	5.0
221.08200	3.9
266.16583	2.1
295.90387	2.1
327.12338	12.1
329.12408	45.5
333.76239	2.4
383.13501	24.0
477.17566	13.7
489.17474	5.1
507.18765	25.7
525.19904	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58881	0.8
52.52145	0.7
54.69898	0.9
58.35159	0.7
58.35463	0.8
59.01390	2.0
60.96739	0.8
71.01380	0.8
74.46156	0.8
75.00925	0.7
75.02838	0.8
101.02466	1.5
109.03010	0.9
113.02467	0.8
119.25382	0.8
122.03734	3.7
134.03752	5.4
135.04495	6.6
136.07683	1.7
137.02635	0.9
137.46117	0.9
146.03748	7.7
149.06075	21.0
154.99879	0.9
161.06067	13.2
162.03282	2.0
164.04790	6.9
165.05556	16.8
166.06407	8.8
167.07135	100.0
171.55374	0.8
177.05550	3.8
179.07129	42.6
193.08727	1.0
199.97322	0.9
221.08250	8.3
239.09178	1.2
315.12283	7.9
327.12341	2.0
345.13464	4.7
363.14508	26.8
363.18860	0.9
524.65320	1.1
525.20428	7.8
525.28766	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17198	2.6
54.36269	2.9
54.65361	2.5
59.01395	62.8
71.01390	40.0
73.02951	6.4
85.02971	5.8
89.02436	40.2
101.02441	35.0
104.41968	3.7
113.02434	21.8
113.39043	3.6
119.03481	14.7
121.02951	4.9
131.03500	3.9
133.73141	3.0
134.03778	26.1
135.04518	15.6
139.04007	5.3
143.39027	2.9
146.03745	70.3
147.04530	6.6
149.06100	49.6
161.04587	13.3
161.06075	96.6
162.03293	3.7
164.04797	34.5
165.05553	37.6
166.06374	39.1
167.07130	100.0
177.05487	5.3
179.05606	16.5
179.07111	99.3
217.41313	2.7
221.02422	3.2
221.08205	14.6
312.09958	4.4
315.12500	13.3
327.12430	50.5
329.12265	5.9
345.13373	12.8
383.13571	5.1
407.17963	3.2
419.26721	3.6
465.23492	91.3
525.19769	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56125	0.4
57.03449	0.6
57.12886	0.4
59.01385	19.7
61.98821	2.5
71.01375	0.8
75.12257	0.5
77.67761	0.5
83.05000	0.7
85.02945	0.9
85.08089	0.4
89.02426	0.8
92.19501	0.8
96.02197	0.5
97.02943	0.5
101.02417	0.6
101.71866	0.5
109.02968	0.6
111.04497	0.8
113.02428	0.6
116.33099	0.4
120.00098	0.6
121.02950	100.0
123.04507	0.7
125.02441	2.6
137.06059	0.6
145.21814	0.6
165.09238	3.5
167.03548	0.6
191.07155	1.1
209.11945	0.5
285.46518	0.5
309.15094	0.5
313.14691	0.5
319.15530	24.4
327.16086	0.5
343.15530	0.6
361.16644	0.5
373.16638	2.0
403.17761	0.7
465.28787	3.0
481.31924	0.7
525.20862	3.4
525.31226	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	525.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09964	0.5
56.47477	0.6
59.01383	12.1
59.09447	0.5
61.98825	1.4
66.60970	0.5
71.01373	1.6
73.02943	0.6
85.02954	0.9
100.79403	0.6
109.02908	0.7
119.05012	0.8
121.02946	100.0
125.02429	1.0
150.79346	0.7
165.09172	3.0
167.03488	1.1
191.07097	1.2
207.70453	0.6
233.11903	1.0
279.32288	0.8
319.15521	24.3
327.16116	1.1
355.15414	0.7
373.16562	2.4
465.28516	1.3
525.20953	3.9
545.61322	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	525.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57958	0.3
59.01378	0.4
67.07387	0.4
70.18653	0.4
85.02955	0.9
92.19415	1.6
97.02961	0.9
97.71037	0.4
109.02927	0.5
111.04508	1.8
114.84255	0.5
121.02949	100.0
124.01639	0.5
136.81339	0.4
139.04048	0.6
149.06055	0.5
165.09229	2.4
170.02745	0.4
191.07158	0.9
219.73645	0.4
229.12334	0.5
269.12103	0.6
276.30280	0.5
319.15515	23.3
324.90332	0.5
327.16138	0.5
373.16711	2.4
403.18246	0.4
507.13412	0.5
525.21368	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	525.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14336	0.6
60.76202	0.6
62.01049	0.5
62.62680	0.6
77.36166	0.6
85.02934	0.7
94.52421	0.7
97.02975	1.2
111.04566	0.8
121.02950	100.0
125.86906	0.7
137.06052	0.7
143.34377	0.6
149.88965	0.6
165.09190	2.9
179.10716	0.7
229.12323	0.8
285.01123	0.7
302.99249	0.7
319.15512	23.7
373.16580	3.0
525.21222	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	525.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23643	0.6
56.64182	0.6
59.01392	2.4
60.23324	0.6
63.68175	0.5
85.02963	1.4
90.88742	0.6
92.19353	1.1
97.02954	0.8
102.86921	0.7
121.02946	100.0
133.26379	0.8
133.49786	0.8
165.09225	2.6
191.07088	0.9
319.15491	21.1
373.16553	3.2
495.17828	0.7
525.21558	4.8
525.77985	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	525.216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92016	0.5
57.62703	0.7
59.01102	1.0
59.01386	22.7
61.52353	0.6
71.01401	1.2
81.75183	0.6
85.02932	2.8
97.02905	1.6
101.02470	0.7
111.04472	1.1
113.02467	0.7
116.28127	0.6
121.02953	100.0
124.01647	0.8
162.31180	0.7
165.09203	3.7
191.07153	1.2
313.14359	0.6
319.15494	20.5
353.47144	0.8
355.15591	0.9
359.07153	0.7
373.16379	1.0
438.96030	0.8
465.28622	7.5
525.21490	4.8
525.30371	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	525.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31287	0.8
51.97965	0.7
55.69495	0.8
59.01389	8.1
65.99934	0.9
69.03458	1.1
74.98457	0.9
85.02942	1.2
109.03867	1.0
118.08064	0.8
118.21082	0.9
121.02954	100.0
128.72081	0.8
165.09221	2.0
186.20755	1.0
229.12321	1.2
319.15512	21.7
373.17084	1.6
465.28659	1.3
525.21100	4.4
525.29462	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	525.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47651	0.8
59.01386	16.1
85.02985	1.2
87.76732	0.9
91.51601	1.0
101.02456	1.5
121.02955	100.0
138.41966	1.0
165.09221	2.0
185.63741	0.9
231.10284	13.9
286.85410	1.2
313.14468	5.8
313.78494	1.0
319.15521	24.2
328.16739	16.5
329.17624	35.2
373.16772	2.1
400.46985	0.9
465.28568	5.3
525.24969	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	525.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.2
64.15575	1.0
71.01380	17.3
73.02949	4.4
74.53429	1.1
81.98444	1.0
85.02938	4.5
87.51790	1.1
89.02449	25.3
95.28273	1.0
101.02444	20.3
113.02448	11.1
115.20910	1.0
119.03481	9.4
128.75294	1.1
137.09700	9.7
149.04469	1.2
155.10776	43.8
161.04572	4.6
163.06088	2.2
169.12329	6.1
179.05589	1.5
179.10791	2.0
181.07179	13.4
181.08626	1.6
199.09758	19.4
223.09862	4.9
241.10863	1.6
244.67667	1.4
304.30795	1.0
343.12546	2.5
465.23462	17.4
496.55801	1.1
525.21973	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	525.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06889	0.9
57.37935	1.1
59.01381	25.3
63.92221	1.2
66.67753	1.2
71.01381	15.1
73.02947	1.3
73.96142	1.1
81.89004	1.1
83.01387	1.1
85.02953	2.6
89.02445	28.8
101.02440	20.1
104.01308	1.3
113.02429	6.8
119.03495	12.4
131.03459	1.4
137.09731	10.1
155.10797	30.4
161.04507	1.7
163.06123	5.7
179.05516	1.5
179.10823	1.2
180.79308	1.4
181.07159	11.1
181.08592	1.7
199.09782	15.9
223.09729	7.6
240.13103	1.2
272.07324	1.6
280.71249	1.3
343.12448	6.2
397.04019	1.2
465.23267	5.5
480.73425	1.5
525.21967	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	525.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.3
60.99311	10.7
61.98795	0.9
88.98806	100.0
464.67880	0.9
525.28650	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	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01384	100.0
61.98820	1.6
71.01376	8.5
73.02947	2.8
73.42168	1.2
85.02959	5.3
88.98776	1.5
89.02438	2.2
97.69591	1.1
101.02428	3.0
109.02943	3.0
111.04533	2.0
113.02461	1.2
119.05022	1.7
121.02915	1.3
121.06583	2.6
123.04481	5.1
133.06609	2.7
134.03697	1.9
137.06068	8.5
137.09697	1.6
138.03197	2.5
142.78079	1.3
149.06055	12.7
151.07668	2.5
153.09222	2.2
155.10800	1.9
163.07680	1.3
165.05588	1.5
165.09248	5.1
167.07108	5.6
167.10788	2.9
177.09178	2.5
179.07126	6.0
181.05023	5.3
181.08725	2.4
189.09265	1.4
195.10274	6.3
197.08075	1.4
253.12155	1.4
263.80560	1.2
287.13046	1.9
288.22684	1.7
297.14990	1.6
315.15997	6.1
327.16022	1.7
333.17126	11.5
345.17151	2.5
363.18234	16.2
375.17996	1.6
405.19171	2.2
423.20078	5.2
433.27036	2.1
451.27963	6.9
465.21368	1.6
465.32083	2.1
481.24783	1.8
489.21274	1.6
525.22748	10.3
525.32074	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	525.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
87.46266	0.9
109.02976	1.0
125.02373	1.0
141.48849	0.9
227.85413	1.1
230.21484	0.9
234.66374	1.1
257.15393	1.1
259.68903	1.0
285.15033	7.3
297.14877	5.6
315.16028	28.6
327.16098	1.2
331.15549	1.4
333.17001	1.7
345.17099	72.6
362.17331	5.6
363.18155	98.2
406.62845	1.1
525.23425	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	525.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20117	0.7
54.23032	0.7
54.29520	0.6
59.01390	8.1
59.24118	0.7
61.06530	0.7
61.56202	0.8
71.01369	1.2
72.58031	0.8
77.33325	1.0
85.02950	1.8
87.04505	6.8
92.20036	1.0
97.02943	1.1
99.04510	1.2
103.03023	1.0
113.02433	1.1
119.68233	0.8
122.03751	1.4
123.89323	0.9
125.02458	1.0
137.09729	6.1
151.11301	1.4
155.10771	31.8
163.07654	3.5
167.10776	1.0
169.12413	1.8
179.10809	5.7
181.08704	100.0
193.12291	1.3
195.10233	3.7
199.09787	6.8
213.11421	1.1
223.09784	1.9
241.10805	3.3
255.12260	1.1
283.11862	4.3
288.66650	0.9
343.14020	4.2
525.23395	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26389	1.9
56.38005	1.7
58.49681	1.9
59.01382	9.7
77.03738	1.9
79.63311	2.1
80.48676	1.9
106.34348	2.3
123.74214	1.9
285.15021	9.1
315.16040	11.5
345.17099	31.0
363.18167	100.0
427.63062	2.5
479.30179	2.9
504.36426	2.8
525.23541	77.7
525.31171	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	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.68180	1.0
71.01386	2.0
71.12691	1.1
75.00894	1.4
87.00921	1.0
109.51979	1.0
113.02431	1.3
123.08169	1.5
133.06619	1.4
149.06065	1.9
151.07516	1.2
165.09152	1.5
178.67117	1.1
179.07156	4.9
197.08179	2.5
299.02380	1.3
311.04849	1.1
331.15479	1.8
361.16550	1.6
362.16919	1.8
363.17035	6.7
459.77600	1.2
525.23224	23.8
551.79437	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	525.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21866	3.2
57.49326	2.6
59.01383	100.0
59.40667	3.8
66.06089	2.5
71.35302	3.4
123.04536	3.5
124.61406	3.3
127.01138	3.2
135.04509	3.3
149.06065	6.4
151.07687	5.2
167.03470	19.1
179.07108	12.0
197.08183	6.9
204.82822	3.1
211.02525	2.9
215.10382	3.1
218.75119	2.8
287.12823	5.0
301.05185	3.1
313.07126	5.9
349.20154	13.9
371.85562	3.0
426.45859	3.4
465.21341	14.3
525.08856	6.8
525.23419	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2989
Annotation	Delphicrispuline
Peak:m/z	Relative Intensity
57.23081	4.2
59.01389	100.0
65.88091	5.1
71.01403	7.7
87.74418	4.3
98.64427	5.5
101.02442	8.1
121.02947	33.1
124.44551	5.1
180.91599	4.9
311.86179	5.2
465.28189	7.8
525.30298	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2983
Annotation	Delphicrispuline
Peak:m/z	Relative Intensity
53.23323	3.9
59.01382	100.0
66.13334	4.7
71.01395	8.8
71.07050	4.7
121.02956	60.1
248.45605	5.9
319.15591	8.3
447.27701	6.5
465.28348	12.1
525.30487	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	525.3071
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
59.01386	100.0
70.78135	1.2
71.01377	5.7
73.02947	2.1
85.02939	4.8
89.02429	2.3
95.98796	1.1
101.02448	7.9
113.02450	3.0
121.02968	2.5
160.35832	1.2
161.04480	2.1
173.44238	1.4
256.00223	1.5
465.28482	20.5
525.23700	2.6
525.30652	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3071
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
59.01388	100.0
59.64527	1.3
64.87639	1.3
71.01395	5.8
73.02941	1.7
84.89963	1.5
85.02940	1.9
101.02435	7.0
101.44978	1.4
113.02427	5.2
121.02946	18.7
159.26823	1.5
161.04646	1.6
243.21513	1.3
279.01102	1.4
319.15463	1.7
394.94083	1.4
447.27618	19.5
465.28574	1.4
525.30823	19.1
549.44232	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	525.3074
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
50.65954	1.1
55.27968	1.2
59.01385	100.0
59.80323	1.1
65.69648	1.4
71.01373	8.5
73.02932	1.5
82.03421	1.4
83.18726	1.2
85.02936	1.7
89.02468	2.7
98.05740	1.3
101.02432	7.0
113.02454	3.1
121.02951	8.3
161.04532	2.4
184.81664	1.5
318.90875	1.3
441.70850	1.5
465.28510	19.7
479.26440	2.8
525.23828	1.6
525.30615	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93793	1.0
59.01385	100.0
61.98820	1.9
64.01188	1.1
71.01382	1.6
71.56237	1.1
83.00031	1.2
83.39114	1.1
85.02943	6.2
86.51247	1.0
92.19439	2.3
101.02431	1.9
146.03668	1.3
152.29193	1.2
156.61812	1.1
167.55470	1.1
207.13908	2.7
283.16879	1.7
301.18143	6.0
319.19196	8.5
345.17044	2.3
447.31073	15.8
465.33087	9.4
525.23248	5.7
525.33978	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	525.3436
Annotation	Hemiasterlin
Peak:m/z	Relative Intensity
50.21264	0.7
53.86617	0.6
57.36866	0.7
59.01387	100.0
71.01388	0.8
71.99368	0.7
77.08824	0.7
79.52567	0.8
85.02963	1.4
91.58994	0.8
101.02498	0.9
115.39465	0.7
137.09753	0.8
141.43785	0.7
155.59383	0.7
163.04039	3.3
166.06316	1.4
176.57654	0.7
181.08658	1.8
189.09293	1.1
190.68912	0.7
197.12946	0.8
232.89154	0.8
236.56697	0.8
238.94221	0.7
298.08450	1.5
313.10977	1.1
337.39301	0.8
378.26965	0.9
445.25052	0.9
465.21225	1.2
465.31949	3.4
525.23486	10.5
525.34589	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	525.3436
Annotation	Hemiasterlin
Peak:m/z	Relative Intensity
50.59267	0.5
51.29779	0.5
51.65694	0.5
56.46288	0.4
59.01387	100.0
61.42153	0.6
64.34599	0.6
75.42187	0.5
80.21230	0.6
100.14839	0.5
142.53957	0.6
155.10759	1.2
181.08763	4.8
373.20126	0.8
447.31030	0.8
465.32269	1.4
525.23358	4.0
525.34442	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	525.3444
Annotation	Hemiasterlin
Peak:m/z	Relative Intensity
59.01386	100.0
60.21631	0.8
61.98842	1.2
64.59741	0.6
71.01366	3.1
73.02944	1.0
79.09496	0.7
85.02958	0.9
89.02432	1.3
89.71812	0.7
101.02443	1.4
110.83271	0.7
113.02420	1.4
119.03474	0.8
121.74232	0.7
149.40913	0.7
161.04561	0.9
164.12439	0.7
290.76266	0.7
306.68295	0.7
465.28687	5.6
474.83508	0.9
525.35144	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	525.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56622	0.6
59.01385	100.0
65.85567	0.6
70.07220	0.6
79.39003	0.7
92.19524	1.2
128.77971	0.7
168.76825	0.7
180.62285	0.7
201.40025	0.7
205.80579	0.7
215.32857	0.6
233.36798	0.6
318.52338	0.8
405.26743	1.1
465.36032	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	526.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00669	0.9
51.62801	0.9
57.28204	1.0
57.43524	1.0
59.01379	6.5
60.01731	1.1
61.98827	5.9
69.70911	1.1
71.01371	2.1
83.94276	0.9
89.02441	4.6
91.83907	0.9
98.12031	0.9
101.02425	2.0
113.28278	1.1
118.59938	0.9
123.60859	1.1
131.88800	1.1
151.00351	6.2
155.10776	6.2
156.11084	2.0
175.96893	1.1
178.99905	4.4
182.07573	1.3
200.10074	1.2
255.03023	6.4
271.02493	13.6
282.75266	1.2
283.02704	1.3
300.02759	100.0
301.00369	1.5
301.03558	34.1
332.26834	1.0
383.41748	1.1
463.08865	74.3
526.22552	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49228	0.6
53.16662	0.5
61.98838	100.0
75.28227	0.6
75.41920	0.7
95.88183	0.6
100.54112	0.6
104.42567	0.7
112.90113	0.7
119.45975	0.7
123.53358	0.6
130.08733	1.2
153.04198	0.7
168.86554	0.9
187.59027	0.7
526.19427	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	526.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.8
60.01716	3.6
61.98832	100.0
67.78951	0.9
79.13477	0.8
137.09753	1.2
138.10091	1.1
155.10774	7.1
156.11061	1.2
165.81978	1.0
181.08688	18.9
182.09044	13.6
246.27229	1.0
259.45453	0.9
272.99228	1.0
462.86066	0.9
466.32761	1.2
526.23938	21.0
526.35303	11.1
532.97736	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	526.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62608	0.8
59.01391	7.5
61.98837	100.0
105.10287	1.2
121.02929	3.7
247.50848	1.1
345.27029	1.1
398.23727	1.0
419.78421	1.0
484.69986	1.1
526.30292	1.8
547.61469	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	526.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49830	0.9
57.18081	0.9
59.01393	10.5
61.98839	100.0
77.50893	1.1
98.59554	1.1
141.05037	1.1
219.69945	1.1
243.58325	1.1
273.64505	1.2
466.28360	2.0
472.24579	1.3
473.65433	1.3
506.61307	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	526.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97647	0.7
54.07437	0.7
59.01385	28.1
60.01723	1.8
61.01795	1.0
61.98837	100.0
83.56024	0.7
92.90833	0.8
111.91185	0.8
112.49896	0.9
121.36412	0.7
377.73026	0.8
466.31769	1.3
504.72141	0.9
526.34937	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	527.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85146	6.3
59.01391	100.0
60.91657	7.0
64.31339	6.1
71.01374	11.3
72.27142	5.4
86.41187	5.6
90.78605	5.9
92.19472	9.0
135.04527	8.7
150.03178	8.1
154.86002	5.4
165.05591	8.8
285.14896	11.5
306.07858	6.6
315.08533	6.3
425.13559	6.1
527.16071	45.4
527.24158	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75517	4.0
59.01104	5.1
59.01385	100.0
65.51672	4.1
71.01400	7.2
73.02962	5.7
87.60785	4.2
121.74579	4.3
123.04521	4.7
125.06063	20.6
139.11232	5.2
165.09198	5.8
167.03520	5.3
195.10292	8.7
200.27409	4.7
201.11324	18.1
201.67876	4.5
270.20532	4.5
315.72977	4.4
329.10498	7.4
365.19409	22.0
407.21021	6.8
467.22971	19.5
481.31436	8.5
491.19711	7.8
506.43045	4.4
527.16571	18.9
527.23950	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05924	2.2
57.25143	2.9
59.01383	24.0
61.98825	3.3
71.01374	4.1
87.00925	3.1
89.02427	5.7
93.49535	2.6
101.02479	3.4
119.05004	30.4
127.47102	2.8
137.06122	3.8
137.09734	15.2
147.04524	54.7
150.03180	11.4
155.10783	100.0
165.05563	23.6
167.07109	10.4
169.12329	18.4
179.10733	11.4
181.08691	13.7
192.98199	2.7
197.11807	3.5
199.09807	44.0
208.36517	3.2
223.09665	5.6
241.10762	12.6
249.84370	3.2
301.12869	5.3
361.15030	3.9
474.51123	2.7
509.20276	46.8
527.21619	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04483	5.2
53.67105	6.0
59.01379	70.0
61.17496	6.2
63.36720	5.9
63.79234	5.6
71.01384	10.1
71.16559	5.5
87.23682	7.6
89.02428	25.5
100.43641	8.1
101.02450	10.4
119.04983	15.8
137.09715	26.7
139.78876	6.9
143.83168	7.2
147.04532	49.3
155.10794	100.0
165.05585	13.1
169.12321	15.3
181.08714	11.4
199.09740	47.5
241.10788	10.2
296.11908	6.7
347.18884	8.8
365.19598	14.3
509.20215	51.8
527.21271	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60051	0.7
57.03424	1.0
59.02660	0.9
69.02175	1.0
69.03451	1.3
77.40806	0.9
81.03473	4.0
87.80575	1.1
88.86237	0.9
95.01379	1.1
95.05027	5.1
97.02955	9.1
122.03678	1.5
123.04523	89.0
125.06043	4.6
153.05573	49.7
159.61760	0.9
167.07135	100.0
186.32607	1.2
211.06129	56.3
315.10898	30.8
329.12640	1.0
351.30255	0.9
365.81042	0.9
537.22626	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	527.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.7
65.87115	1.1
71.01393	1.5
81.34348	1.0
90.13574	1.3
158.82179	1.1
173.10030	1.1
181.08698	4.9
187.07690	1.5
206.12868	1.1
214.32523	1.3
241.12357	5.1
263.12930	1.7
311.16550	87.8
329.17603	100.0
413.56360	1.4
491.22903	85.6
502.67285	1.3
527.24628	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	527.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04882	17.5
54.50865	15.8
59.01381	95.6
61.98831	100.0
77.01683	17.7
84.81041	19.3
97.52929	18.4
116.92861	42.6
121.02927	70.1
272.34186	21.1
329.17615	80.8
456.03217	19.8
464.96069	23.4
491.22900	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.214
Annotation	Dutasteride
Peak:m/z	Relative Intensity
58.00596	4.0
59.01383	49.5
71.01387	4.0
73.02956	3.1
80.80917	1.7
83.01373	8.6
83.78425	1.9
85.02953	4.5
85.17982	1.8
85.62229	2.1
97.02971	2.1
111.04496	4.0
113.02474	4.8
119.04996	3.3
125.02433	2.8
134.03683	3.8
135.04527	100.0
137.06154	2.2
137.09735	18.2
147.04507	4.2
155.10773	60.2
165.05553	49.5
167.07101	2.8
175.11359	2.8
179.10735	8.0
181.08685	20.7
199.09734	15.5
203.10780	4.2
205.08746	9.6
215.25085	2.0
223.09697	17.3
237.11281	2.7
247.09714	7.9
265.10706	11.1
329.17398	3.4
343.13910	2.4
347.18726	3.0
467.22690	2.8
479.19241	37.4
509.20380	46.2
527.21039	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2135
Annotation	Dutasteride
Peak:m/z	Relative Intensity
59.01396	29.1
63.89150	2.5
68.05663	2.6
70.40781	2.8
71.01369	6.5
72.37913	2.6
76.01414	2.6
84.05583	2.8
89.02460	4.3
94.95018	3.1
101.02435	12.9
119.05023	23.2
135.04536	5.2
137.06096	3.3
137.09708	21.8
138.36586	3.1
147.04517	52.0
150.03236	4.3
155.10788	96.9
165.05609	24.9
167.07170	11.8
169.12312	13.3
179.10773	7.1
181.08717	15.0
197.11942	3.5
199.09775	55.1
223.09714	6.5
241.10754	5.4
279.54697	3.7
361.14984	5.3
365.19666	5.2
437.30115	3.1
459.84378	3.1
467.22516	3.4
509.20294	41.0
526.52808	4.0
527.21710	100.0
532.41943	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	527.2289
Annotation	Satratoxin H
Peak:m/z	Relative Intensity
51.24138	0.9
59.01381	10.2
61.98819	6.0
81.03460	2.1
83.01392	2.4
85.02912	1.3
89.02422	2.1
97.02921	3.9
101.02425	4.3
104.66645	1.1
109.02927	19.1
121.02934	4.9
122.03719	1.1
123.04536	11.0
125.02432	20.6
135.04529	1.6
137.02440	16.6
139.03995	5.4
149.02451	7.6
151.03990	9.9
151.07570	1.7
156.06308	1.2
159.04466	1.5
161.06065	10.0
162.03195	1.3
165.01944	7.8
167.03453	2.4
169.05022	1.3
175.03969	2.5
179.03526	11.6
187.03995	8.7
188.04814	8.1
191.57886	1.1
199.07555	1.2
202.06345	4.5
203.07133	27.6
205.05067	25.0
221.08115	2.5
227.07115	4.5
231.02919	1.9
233.15385	2.0
245.08163	37.1
247.05960	5.3
289.07178	68.3
311.16269	1.4
329.17468	5.5
357.18161	1.2
375.18283	2.2
421.20413	1.3
481.27649	2.0
483.19971	4.4
483.32944	2.4
491.22461	8.4
527.22723	100.0
527.29114	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	527.2291
Annotation	3-O-Deacetylorthosiphol I
Peak:m/z	Relative Intensity
56.46795	5.1
59.01389	68.8
95.73711	7.1
121.02959	100.0
137.06085	9.3
244.71500	7.2
335.16617	6.9
390.81171	7.9
467.20901	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	527.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56617	1.2
58.59834	1.2
59.01390	18.0
61.98836	6.9
68.20536	1.2
71.01394	2.8
72.99312	2.0
75.00873	100.0
101.02423	2.9
111.04520	2.1
113.02469	1.7
135.04546	11.5
137.06093	1.7
137.09741	5.9
155.10803	13.7
165.05548	9.5
167.07149	8.8
169.12277	1.7
179.10800	1.8
199.09785	8.6
216.22990	1.3
235.17776	1.5
278.63608	1.3
301.12875	2.3
317.17487	2.0
347.18735	3.1
361.07312	1.7
365.19589	7.6
407.54953	1.5
509.20273	2.5
527.25012	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	527.2505
Annotation	Taxuyunnanine Q
Peak:m/z	Relative Intensity
57.43086	1.8
59.01387	100.0
62.99644	1.8
68.09624	1.9
71.01377	4.1
77.07959	2.0
82.02305	2.0
83.05006	2.1
85.02962	3.2
101.02383	2.4
119.04995	4.0
123.04510	3.2
123.08136	2.1
137.06082	11.4
139.72417	1.9
140.79211	1.8
151.67897	2.0
153.05576	4.7
167.07140	2.2
179.10713	3.1
248.34866	2.2
315.11252	2.4
365.19635	4.4
407.20700	14.3
425.21863	48.7
467.22467	16.6
489.21359	3.7
527.25287	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	527.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67492	3.2
59.01387	100.0
61.98833	17.0
71.01387	8.8
81.47353	3.6
83.05014	5.7
85.02969	5.3
89.02496	4.3
90.84945	4.7
92.19437	5.0
97.02927	9.0
101.90843	4.1
102.09794	3.8
109.02974	4.5
111.04510	8.2
119.05013	6.9
121.06635	6.8
123.08138	8.9
125.02418	4.1
134.03728	6.6
135.04546	34.6
137.06085	21.3
143.07108	5.2
149.06110	4.7
150.03206	17.4
155.10760	31.2
165.05588	38.4
167.07088	5.3
173.64548	3.9
179.10802	8.3
181.08728	83.9
190.39799	3.9
195.10150	4.3
199.09729	8.0
225.93001	3.9
233.11906	6.8
273.15198	4.0
276.03021	4.1
299.16440	5.8
317.17572	8.5
321.16971	4.6
329.17682	6.7
331.15408	8.2
334.91055	4.1
343.14221	4.8
347.18625	20.9
365.19785	15.3
385.15369	6.0
407.20712	5.3
479.20264	16.5
491.20651	5.8
509.20596	5.8
527.21259	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2997
Annotation	Milbemectin
Peak:m/z	Relative Intensity
56.79116	21.0
59.84813	19.5
60.97845	19.4
67.16055	18.8
75.68955	19.9
79.68049	19.1
84.37754	23.3
103.90894	21.1
141.13330	20.0
143.56947	26.7
159.28535	23.2
168.51114	23.2
265.06976	25.5
335.99365	23.0
342.97543	24.5
389.62170	22.9
527.29431	100.0
528.00647	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	527.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03017	0.8
51.77219	0.9
56.49653	0.9
57.03450	6.6
58.11102	0.9
63.15834	0.8
65.67668	0.8
66.50735	0.9
67.35754	0.9
69.03451	1.4
71.92075	0.9
79.45137	1.0
79.52944	0.9
81.03464	1.3
83.01379	4.7
87.68763	1.0
109.02927	6.1
111.00879	1.4
116.51463	1.0
123.04521	1.4
125.02438	81.9
137.02448	100.0
145.02943	17.5
149.01363	1.0
149.02393	8.4
150.03203	4.6
151.03955	1.7
154.81102	1.0
159.04492	8.8
161.06111	6.3
176.27867	1.0
183.04482	1.9
185.06068	5.3
187.04060	7.5
201.05615	2.1
202.06200	1.4
203.07121	11.5
209.06079	1.8
227.07182	2.2
229.05124	1.6
245.08237	6.9
253.05093	7.3
271.03357	1.9
271.06119	38.3
271.87198	1.2
289.07156	13.8
314.63309	1.1
323.12823	1.7
371.25760	1.0
389.26907	3.9
425.61124	1.0
441.30313	2.3
444.19470	1.0
483.31186	11.8
527.30182	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	527.3145
Annotation	Ferruginin C
Peak:m/z	Relative Intensity
58.44299	4.2
59.01376	44.0
59.81751	4.4
61.98839	64.1
67.14910	5.0
71.01374	8.7
72.77376	4.0
76.54216	5.9
80.42466	4.3
87.00856	8.3
89.02442	7.9
99.54194	5.1
101.02441	8.2
101.61979	6.2
103.66520	5.0
111.00838	52.4
111.28806	5.9
117.50229	4.9
121.02963	20.5
137.02458	6.2
137.06117	5.8
137.75893	5.1
267.02829	5.0
311.16565	96.3
329.17590	100.0
381.45801	6.2
403.17975	5.8
467.33298	6.8
481.28378	8.3
491.16190	8.7
491.22610	54.2
527.23193	31.3
527.31903	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	8.7
63.68135	0.5
68.53387	0.6
69.97342	0.6
72.99303	25.6
76.69245	0.6
77.12785	0.6
119.04994	2.5
125.02400	1.4
134.06114	1.2
144.04507	1.3
148.07689	4.0
162.05609	3.2
176.07175	19.6
180.06680	11.4
204.06691	7.9
222.07712	100.0
225.36249	0.7
241.96753	0.7
305.06845	1.5
332.82870	0.6
357.31705	0.6
407.40955	0.6
472.54410	0.7
499.80481	0.8
550.25989	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	528.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	1.6
80.94302	0.9
95.57722	0.7
98.06134	7.0
100.04050	97.4
135.32930	0.7
142.05101	100.0
145.38924	0.8
148.05920	0.7
163.99226	0.9
185.02226	1.0
186.04102	6.7
186.07741	25.4
295.23132	0.9
423.13977	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	528.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98838	100.0
81.27270	0.7
82.83783	0.7
87.08749	0.7
91.35296	0.7
151.61664	0.7
154.28958	0.7
200.35504	1.0
250.61765	0.8
492.12857	0.7
510.25702	0.7
528.20117	0.8
545.08356	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	528.318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90200	0.7
57.24651	0.6
59.01378	10.1
61.01804	1.3
61.98834	100.0
93.28932	0.8
100.99371	0.7
269.67862	0.8
284.78387	0.7
370.51059	0.8
465.21097	1.4
528.35553	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	529.12
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01995	4.8
67.60957	3.9
85.02943	100.0
92.19389	10.3
97.76277	3.6
120.88191	4.1
123.29772	4.1
129.01910	38.3
161.02359	4.2
173.00879	35.0
222.59396	4.1
236.69638	4.2
503.45093	4.6
521.75415	5.5
525.27148	6.0
537.58698	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	529.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68627	0.6
51.79742	0.5
67.01906	6.6
71.01402	0.7
71.95424	0.6
73.02940	3.8
73.18516	0.6
79.14355	0.6
81.03436	0.8
84.92487	0.6
85.02929	1.1
89.02435	0.7
91.04891	0.7
92.19434	0.9
93.03458	7.2
99.04524	8.7
106.82409	0.9
111.00880	100.0
111.04527	4.7
115.04026	1.2
129.05579	3.2
136.00027	0.7
137.02448	2.7
143.03506	40.4
144.02924	0.9
155.03468	3.1
173.04541	16.0
187.02472	3.5
191.05608	11.4
194.83278	0.7
234.04434	0.7
355.12598	0.9
400.15060	0.7
402.11111	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	529.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49108	0.3
59.01374	0.6
65.03960	1.3
67.01881	1.6
71.01377	0.6
81.03452	1.4
83.92679	0.3
85.02950	0.7
93.03466	0.7
96.96942	0.3
97.73521	0.3
97.95464	0.3
98.18848	0.3
106.04472	0.4
109.02945	100.0
111.00874	0.5
111.04488	0.6
121.02971	2.3
129.01952	0.4
135.04517	4.5
139.04012	11.5
140.73247	0.4
142.99901	0.5
150.75653	0.4
160.04050	0.7
161.04446	0.8
173.04558	2.5
183.02975	27.6
183.06567	0.6
188.95987	0.4
191.03926	0.6
191.05618	15.8
204.06268	0.4
337.07739	0.5
345.11920	2.2
529.16113	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	529.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27081	0.8
59.01375	3.5
71.01382	2.0
72.99311	4.6
73.02944	15.6
83.05031	5.0
85.02941	4.0
87.00856	1.0
89.02429	1.3
93.03456	36.8
95.24687	0.9
99.00859	5.7
99.04503	6.3
101.02452	1.6
102.78126	0.9
111.00871	5.2
111.04519	28.5
116.03516	1.2
129.01971	1.3
129.05556	1.3
137.02443	14.9
143.03514	7.7
143.04472	1.3
144.03020	5.0
155.03516	27.3
173.04543	100.0
187.03752	7.0
191.05615	28.4
217.63550	1.0
297.11777	0.9
355.12448	14.1
529.17816	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	529.1848
Annotation	Eriosemaone C
Peak:m/z	Relative Intensity
50.34342	19.9
59.35596	21.6
63.19314	21.8
92.20149	44.9
141.92546	28.2
149.79164	27.0
204.62805	25.9
204.70850	24.9
224.10126	35.0
331.19070	35.5
366.83511	27.7
529.18317	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	529.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04432	11.0
58.36082	12.6
59.01370	22.7
59.85405	9.8
63.39448	9.5
125.02410	14.6
140.98941	11.4
221.15532	49.8
233.74339	11.3
265.14465	27.8
361.16364	17.5
428.96136	13.4
493.20377	23.4
529.18451	100.0
529.28131	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77596	0.6
59.01385	81.3
61.98842	2.7
66.11193	0.7
75.09468	0.7
92.20090	0.9
93.82446	0.7
94.77165	0.7
97.93804	0.7
111.33010	0.7
119.60621	0.7
121.02954	100.0
138.93056	0.7
191.05617	1.0
269.11911	0.9
287.12961	1.1
311.16437	1.4
329.17630	3.4
331.18927	3.2
443.04697	0.7
491.22861	2.7
529.24127	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	529.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75024	7.4
57.01114	7.9
58.32320	7.5
59.01386	69.9
64.44070	8.5
71.01384	19.5
85.02965	10.4
89.02446	14.0
94.57976	9.1
101.02435	20.1
111.38600	10.1
121.02946	78.0
122.96382	9.0
139.29111	10.2
179.54787	10.0
201.15855	8.9
261.73364	8.9
311.16428	17.4
313.18143	94.7
324.31625	9.1
329.17581	55.2
331.19272	84.2
374.57590	9.7
472.66953	10.9
491.23172	17.5
493.24518	100.0
529.27325	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31336	0.8
50.61785	0.7
52.88245	0.7
53.43366	0.9
55.94625	0.7
58.40651	0.7
59.01385	3.4
60.69866	0.8
61.98829	1.0
121.02937	5.6
237.93730	0.9
241.12253	1.1
261.28973	1.0
262.25558	0.9
273.96259	0.9
301.17975	1.3
313.18100	36.6
331.19147	100.0
349.90790	0.8
493.24451	62.3
507.76706	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	529.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29346	20.8
62.78740	20.1
69.89954	25.3
87.09985	26.2
92.19308	30.8
103.13984	23.1
132.87613	23.5
139.00693	24.9
163.66504	25.7
215.29189	24.8
294.35416	26.2
297.39053	27.9
382.95602	26.6
529.22192	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	529.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49604	1.4
53.26792	1.2
58.40395	1.1
59.01387	32.1
81.54833	1.3
100.87340	1.4
121.02940	6.9
209.47127	1.8
226.55237	1.7
313.18134	88.2
331.19162	100.0
356.19379	1.6
367.20981	1.9
367.25021	6.7
396.15149	1.4
493.24493	85.4
529.26300	3.0
546.25458	1.4
553.07697	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	529.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59197	1.3
61.98832	8.3
65.25579	1.6
92.73630	1.7
96.48468	1.7
121.02989	2.1
125.90561	1.9
175.48396	1.9
313.18152	78.1
331.19156	100.0
385.62781	1.8
493.24484	73.3
529.21741	10.9
529.29364	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	529.2444
Annotation	Scuterivulactone C1
Peak:m/z	Relative Intensity
55.98478	0.8
59.01389	19.2
61.17043	0.8
70.98039	0.8
80.11158	0.8
97.20473	0.9
121.02954	100.0
128.28459	0.9
132.13730	1.0
202.16040	0.9
313.18094	3.2
331.19193	8.2
381.89893	0.9
469.22336	1.3
487.23334	3.7
493.24548	4.5
502.03336	1.1
529.24500	27.7
529.31586	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	529.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71427	0.4
52.85390	0.4
59.40109	0.3
81.26131	0.3
111.09778	0.4
117.02829	0.3
121.02948	100.0
138.94077	0.4
152.79984	0.4
168.04732	0.4
178.57314	0.4
251.96524	0.4
265.96722	0.4
285.49841	0.4
382.55353	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	529.281
Annotation	Methyl lucidenate E2
Peak:m/z	Relative Intensity
57.55368	0.3
57.69811	0.3
59.01389	0.9
78.34162	0.4
79.70873	0.3
82.23691	0.4
83.73565	0.3
92.19518	0.8
122.03773	0.4
123.04523	100.0
134.86491	0.3
160.05354	0.5
161.06064	0.6
217.24405	0.4
288.84460	0.4
297.53574	0.4
313.21350	0.4
388.60272	0.4
415.62460	0.4
419.62683	0.4
469.25995	12.3
487.27155	2.6
529.28149	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
71.01379	3.0
81.31004	1.6
89.02454	2.2
101.02430	3.1
112.08359	1.7
195.13924	14.5
223.13449	4.4
252.36757	2.1
253.09309	38.0
275.20169	7.3
293.21246	100.0
511.29449	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	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.9
71.01369	5.3
71.47464	0.9
72.42446	1.1
73.82525	1.0
85.02905	1.3
89.02438	5.4
98.22408	1.3
101.02429	6.9
113.02406	2.1
119.03534	1.2
121.02908	2.3
144.46458	1.3
161.04541	4.2
161.76793	1.1
195.13910	13.0
196.14853	1.5
211.07756	1.1
223.13408	7.7
253.09282	30.9
274.27667	1.1
275.20251	8.2
293.21243	100.0
529.15399	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	529.3306
Annotation	NEOLINDERATIN
Peak:m/z	Relative Intensity
62.03045	17.1
68.30709	19.5
70.77190	20.6
73.43405	16.4
75.37596	19.0
81.42892	20.4
85.52820	20.4
89.95159	22.1
91.85732	19.2
121.02940	22.5
136.28577	20.6
168.40536	23.7
169.64087	19.6
529.33032	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	530.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56476	0.8
53.09536	0.8
76.24912	0.9
90.68156	1.3
111.00858	1.7
124.82314	1.1
159.03288	3.6
160.04037	100.0
160.60001	1.0
161.02386	1.3
167.83401	1.1
204.01112	1.8
204.03018	49.7
320.56711	0.9
429.48575	1.1
493.02103	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	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16323	0.4
56.39315	0.4
68.77165	0.5
78.95893	7.6
152.99568	2.3
168.04356	3.3
174.08681	0.4
224.06981	8.0
242.08011	0.9
255.23308	100.0
480.30988	55.3
505.17334	0.7
530.30371	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	531.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.0
60.65397	1.9
67.92067	1.9
71.01368	4.2
89.02448	15.7
99.97459	1.9
135.04497	8.7
146.03737	20.0
149.04567	7.6
161.06087	100.0
164.77269	2.0
165.05522	6.9
166.06396	17.6
167.07144	61.8
193.08701	4.1
221.08176	24.5
245.80005	1.7
268.90836	2.0
312.10007	7.5
327.12418	81.3
459.39359	2.1
495.18802	57.5
527.42157	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	531.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55019	0.4
59.88940	0.4
71.01393	0.5
85.02950	3.6
85.73352	0.4
89.71526	0.6
93.03414	0.8
111.04498	0.5
123.75599	0.5
125.02453	0.5
137.02431	0.6
173.04591	0.6
191.05629	100.0
206.02277	2.2
221.04564	2.9
238.04840	0.6
253.07242	1.2
288.90210	0.5
290.20322	0.5
294.01013	0.5
295.54245	0.5
325.93457	0.5
375.52151	0.5
415.12173	0.9
447.44904	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	531.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67019	0.5
59.01376	3.2
61.00976	0.5
61.98825	0.6
66.71953	0.5
71.01390	2.1
89.02428	0.7
95.63940	0.6
95.64613	0.6
104.31257	0.7
121.02934	3.9
122.03292	0.9
146.08253	1.5
167.05003	2.8
180.05782	0.7
181.06511	1.0
183.04613	0.9
185.06055	0.8
191.69865	0.6
197.05998	1.0
208.05356	2.6
209.06085	21.5
211.04028	1.2
225.05565	10.2
227.07111	5.3
253.05074	100.0
271.06161	6.0
289.07224	0.7
333.20700	0.8
344.43448	0.7
434.86172	0.7
531.17352	10.8
531.22772	2.0
531.29132	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	531.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41503	0.7
56.92140	0.8
57.03448	1.1
59.01389	19.8
61.98825	3.9
68.59426	0.9
71.01385	5.0
73.02933	1.0
76.36649	0.9
76.56774	0.9
83.01414	1.0
84.66935	0.9
89.02454	6.6
93.03456	1.1
95.05044	1.9
97.02943	2.3
101.02438	5.7
107.11254	1.2
109.02959	3.6
111.04539	3.6
113.02425	3.8
116.36152	1.0
119.03561	1.1
123.00871	2.1
125.02436	53.8
125.09737	1.6
135.04460	1.4
137.02444	23.6
137.60950	0.9
138.03279	1.2
139.04018	18.9
143.07112	1.5
159.04539	1.1
161.02411	1.3
163.11310	1.6
164.01129	2.3
165.01941	24.1
167.03479	12.0
167.47762	1.0
169.05017	10.9
177.01962	11.9
177.05563	4.1
179.03462	17.9
181.05037	1.1
190.90752	1.0
191.07095	1.2
201.05508	1.4
203.03510	5.4
204.04303	2.2
219.06627	18.8
221.04605	12.2
223.13324	4.0
237.07567	1.3
243.06639	2.0
247.02568	1.0
261.07620	6.7
263.05728	1.2
287.05719	1.0
303.66061	1.1
305.06668	30.2
307.13992	1.8
309.13477	2.1
363.14651	1.8
513.17542	1.4
531.18854	100.0
531.27905	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	4.2
59.01385	100.0
59.81293	2.3
62.49453	1.9
69.03450	3.4
71.01379	39.7
73.02940	17.2
82.24825	2.5
85.02946	12.7
87.00874	2.5
89.02464	21.2
92.20111	3.0
97.02943	10.3
101.02444	29.9
103.03988	17.6
103.14276	2.5
119.03470	4.3
125.02437	35.7
137.07887	2.4
148.05280	24.0
163.06116	22.4
163.07608	21.0
167.03471	4.9
181.08771	15.5
196.80452	2.1
274.46695	2.3
307.10388	60.6
311.07773	3.6
488.23129	2.5
493.17145	8.2
531.28937	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	531.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26183	0.9
59.01386	6.9
71.01360	1.6
73.02961	1.6
82.22448	1.1
101.02460	2.0
109.02956	11.9
123.04515	53.7
152.01120	3.7
153.01947	18.7
153.05569	100.0
155.10736	2.0
168.01039	0.9
174.10469	1.9
183.59227	0.9
189.12889	8.4
225.05399	0.9
233.11940	1.8
245.48709	1.3
256.93158	1.3
309.20630	1.2
313.18097	7.4
331.19232	11.9
333.20663	2.2
369.22803	2.1
388.08401	1.1
421.50946	1.1
493.24475	10.9
508.66327	1.3
531.17682	14.9
531.28912	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	531.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94090	0.6
57.45076	0.5
59.01377	3.9
68.54973	0.6
71.01396	1.1
71.50143	0.6
71.75436	0.5
73.02953	1.3
73.54274	0.5
87.04502	0.7
89.02443	0.7
101.02449	2.4
109.02959	4.9
113.02406	0.8
123.04517	60.9
135.04555	1.4
152.01096	0.6
153.02019	7.8
153.05571	100.0
163.03978	0.8
173.09715	1.2
189.12854	5.5
233.11740	4.8
250.74747	0.7
315.10834	3.5
333.20770	1.5
347.04590	0.6
369.22717	1.1
377.16348	0.8
495.25620	1.0
531.22906	6.6
531.28973	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	531.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
62.76053	1.3
71.01391	1.4
75.82722	1.3
77.90385	1.5
89.02451	2.0
101.02451	2.1
121.02960	1.7
125.02435	6.6
131.71445	1.5
137.02412	2.5
152.41093	2.1
152.44078	1.7
178.12486	1.7
179.03488	2.0
216.45035	1.7
253.05066	3.7
305.06699	2.3
309.72571	1.8
328.28378	1.9
329.92029	1.7
531.23712	100.0
535.94568	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	531.237
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
59.01393	16.9
59.20173	1.7
71.01379	9.6
73.40496	1.6
75.76134	1.7
77.35764	1.7
89.02455	9.7
90.78999	1.8
101.02426	4.3
113.02485	2.3
156.38843	2.0
161.06061	2.2
313.17999	9.0
322.30414	1.9
331.19165	20.2
333.20724	100.0
493.24374	8.9
495.25891	29.1
531.15436	4.5
531.23291	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36902	1.4
56.25357	1.6
58.81443	1.9
59.01384	100.0
75.89993	1.8
83.35158	1.8
93.28713	1.6
158.08575	1.6
206.51891	2.0
295.73117	2.1
471.31360	7.2
472.96323	2.1
531.33063	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	532.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75289	1.2
55.43190	1.1
56.23661	1.4
78.95908	3.0
92.19437	1.7
138.77979	1.4
210.61812	1.5
281.35452	1.5
335.25940	100.0
427.96387	1.6
447.17856	1.5
532.30426	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.8
63.43778	0.8
74.46577	0.8
87.08665	1.1
100.52002	0.9
112.70602	0.9
115.43902	0.9
124.02317	0.9
137.57538	1.1
156.99928	2.2
158.99188	1.1
174.99237	25.3
181.50642	1.0
217.00305	100.0
288.42807	1.0
329.28455	1.0
359.01257	1.8
374.99255	54.9
409.80878	1.0
532.98486	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	533.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70213	0.5
57.03446	0.6
58.81794	0.5
59.01377	3.6
60.59779	0.5
60.64316	0.6
71.01373	6.4
72.99300	0.7
73.02934	3.4
75.00866	0.8
83.01376	1.2
85.02923	4.3
87.00870	24.6
97.02937	0.7
99.00878	6.0
101.02443	3.2
109.02973	4.6
110.22799	0.7
111.00874	2.7
112.98801	6.3
113.02436	3.0
123.00880	3.0
123.04523	4.4
129.01926	1.3
131.03337	0.6
134.03726	0.7
136.01669	3.0
142.99872	3.7
145.01447	2.2
146.03725	2.8
147.03024	0.6
148.05304	1.1
149.06087	7.1
151.03990	8.6
159.04517	0.7
161.02493	0.6
161.06097	4.0
162.03191	0.6
163.07663	4.9
164.04793	2.4
173.00880	7.2
174.01674	1.1
175.04015	2.4
175.07648	0.7
176.04765	2.3
179.07140	17.2
187.50859	0.7
188.04832	1.4
189.05516	0.8
191.05606	14.8
191.07178	4.9
195.05113	3.3
203.07112	2.2
204.04312	4.0
205.05038	1.3
207.06625	2.2
216.04251	1.0
217.05035	0.9
219.06616	12.4
231.06577	0.9
232.03737	6.7
235.06114	13.7
246.05345	1.3
247.06111	29.3
249.07744	1.0
257.84512	0.7
261.07620	1.2
265.07062	0.9
279.08594	0.7
307.08176	8.3
343.74133	0.6
376.66040	0.6
533.15149	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	533.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17596	0.6
59.01382	9.8
71.01379	4.3
72.99327	1.2
75.00867	24.0
78.95931	0.8
89.02450	8.6
93.67743	0.8
99.00880	1.2
101.02431	3.9
113.02417	1.4
117.01934	3.9
135.02997	100.0
147.14647	0.8
151.74396	0.7
153.39218	0.7
167.17473	0.8
169.74858	0.8
173.06093	0.8
174.03174	1.5
189.05510	3.1
202.02792	0.9
207.04994	1.8
217.05040	41.4
220.00082	1.3
237.07756	1.0
269.86438	0.8
275.05756	1.3
284.23987	0.9
301.14911	0.9
359.13452	4.8
387.12625	0.9
397.06662	1.1
397.11441	21.3
399.12927	1.2
515.14063	5.5
533.15271	4.5
552.67810	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	533.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73064	1.0
58.21913	1.1
59.01384	2.4
67.74899	1.5
70.21683	1.2
72.99284	2.4
83.01379	1.3
85.02959	5.7
87.00873	8.8
99.00876	1.8
100.14439	1.2
101.02429	1.9
108.19200	1.2
111.00871	7.6
112.98820	2.2
114.05548	2.0
133.02960	1.7
135.04535	13.2
142.99910	1.3
149.06136	1.6
155.03513	2.1
156.06689	1.7
157.06805	1.4
161.02446	100.0
161.04556	2.5
163.04065	1.4
173.01003	2.1
173.04573	2.1
173.06073	2.8
174.01735	1.3
177.05577	1.8
179.03499	7.4
179.05589	6.7
181.05002	1.4
185.06081	5.0
191.01932	5.1
191.05626	64.1
191.07085	2.9
195.06689	1.7
203.07109	2.5
217.05138	2.8
247.06204	1.7
289.80267	1.3
290.87613	1.4
341.08789	74.6
353.08719	1.4
421.04974	1.4
436.80878	1.4
515.11188	1.4
533.15027	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	533.167
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
59.01387	8.2
62.49819	1.7
70.32700	1.7
71.01382	7.4
77.71233	2.0
82.31193	1.8
85.58309	1.8
89.02502	2.4
101.02434	3.2
113.02446	2.9
123.00928	4.7
124.01678	3.0
136.01682	4.0
148.40158	1.8
161.02409	3.0
163.03996	4.0
175.03996	4.5
176.04782	7.6
181.01257	1.8
189.01790	2.5
190.02751	3.2
191.07230	2.9
199.10657	2.0
203.07143	8.2
204.04245	2.7
205.05083	27.3
298.87881	2.1
312.10028	2.5
324.75702	2.5
327.08789	2.5
339.08643	2.0
341.06616	3.5
355.08267	3.0
356.09045	40.4
371.11371	100.0
405.40891	2.1
473.20474	7.9
533.16583	61.1
533.25079	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96590	0.2
62.92686	0.3
66.72469	0.2
71.01347	0.4
74.01727	0.3
85.02961	2.7
92.19994	0.3
93.03456	0.5
111.04487	0.4
116.25051	0.3
127.04050	0.5
131.22864	0.3
173.04550	0.5
180.01709	0.3
188.50015	0.3
191.05629	100.0
198.03203	0.3
208.24731	0.4
308.65570	0.3
460.82703	0.3
511.70477	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	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69720	0.3
73.14552	0.3
81.45620	0.3
85.02946	2.1
87.00838	0.3
93.03454	0.5
127.03984	1.5
173.04478	0.5
191.05618	100.0
217.10039	0.4
222.99365	0.4
241.72011	0.4
299.76932	0.4
351.08554	0.4
355.23633	0.3
428.30936	0.5
437.76331	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	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91217	1.1
55.96840	1.1
56.72803	1.1
59.01378	1.7
59.25362	1.3
74.73524	1.3
101.02434	1.7
103.24832	1.4
113.60445	1.4
121.02951	100.0
148.58684	1.4
202.32443	1.4
356.08954	10.3
371.11377	6.1
473.16513	13.0
533.16302	2.0
533.25177	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	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37996	1.4
59.01381	3.6
72.99310	12.8
73.02941	9.3
73.52785	1.7
83.05022	3.3
85.02919	1.9
85.06620	2.0
85.23583	1.6
93.03464	24.8
99.00865	3.7
99.04521	8.2
111.00922	3.8
111.04507	41.8
121.40915	2.0
129.05566	11.6
137.02460	10.0
151.03940	2.1
155.03499	66.6
167.85454	2.1
173.03122	3.9
173.04562	100.0
173.06055	3.8
191.05606	9.2
211.83684	2.1
232.84229	2.0
275.16736	1.9
290.40613	1.8
308.14398	1.7
420.86176	2.1
555.39563	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	533.1878
Annotation	Dryopteroside
Peak:m/z	Relative Intensity
56.13740	1.2
57.58929	1.0
68.99802	1.3
70.10883	1.2
81.03478	1.1
83.82034	1.2
95.56681	1.4
96.12104	1.2
97.02899	1.3
125.02426	18.5
137.02419	2.1
146.83902	1.7
155.03467	2.9
165.09206	2.6
167.03502	18.6
167.07147	1.6
176.27867	1.2
179.10756	5.2
197.04521	2.7
207.10304	4.6
209.08185	25.8
221.08176	6.7
222.08801	1.6
223.09811	2.9
251.09254	100.0
263.09283	2.8
265.10678	1.3
275.09229	4.9
281.10300	24.1
413.08939	1.8
413.14548	52.0
443.15704	17.3
515.17493	3.0
533.18317	20.5
533.25159	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	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78653	1.2
55.87611	1.3
55.90738	1.4
56.98405	1.3
57.44160	1.4
59.01382	7.6
61.27766	1.3
64.99443	1.7
71.01365	2.9
83.01383	2.5
89.02433	2.3
90.58035	1.5
92.27290	1.4
97.02937	1.8
101.02431	3.3
108.79002	1.4
113.02467	5.9
115.83346	1.5
121.02939	1.4
125.00240	1.7
125.02404	10.5
125.06067	2.2
139.03986	1.9
163.07690	3.5
165.01982	2.1
165.05548	2.1
165.09232	3.3
167.03517	19.0
179.10776	1.7
181.08679	3.1
183.10280	1.6
197.04521	7.3
203.78958	1.8
207.10114	1.5
209.04565	17.5
209.08180	15.9
235.09731	1.6
239.05598	7.2
245.18663	1.7
251.09258	42.5
263.09238	13.0
269.06769	1.6
277.10852	2.3
281.10287	11.4
293.10349	100.0
295.74429	1.5
305.10281	3.4
323.11453	63.6
335.11450	6.4
338.54062	1.8
353.12466	14.4
377.12363	1.9
384.24576	2.1
395.13797	3.2
413.14542	24.9
425.14774	6.4
443.15884	2.1
510.65195	1.6
515.17743	2.0
533.18634	31.5
533.25427	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	533.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92491	0.4
59.01389	1.0
71.01379	0.5
78.95901	2.4
79.95739	1.0
80.54581	0.4
89.02421	0.6
96.96008	100.0
96.96903	6.0
98.93921	0.6
101.02429	1.2
109.25642	0.4
114.93465	0.7
119.66260	0.6
304.69141	0.5
435.22266	3.1
533.29596	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	533.2389
Annotation	Lapidolinin
Peak:m/z	Relative Intensity
53.03258	0.5
59.01386	8.7
63.36359	0.5
68.79818	0.5
71.01369	0.7
76.85635	0.5
85.02948	2.4
97.02959	3.3
218.95631	0.6
219.53896	0.6
231.10274	8.6
313.14511	5.1
313.17792	0.9
328.16840	27.1
329.17609	100.0
335.22235	1.0
335.67838	0.6
355.19162	2.4
473.22025	5.7
510.99789	0.6
533.23969	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14029	0.3
59.01384	0.5
60.09093	0.4
64.64690	0.3
92.78864	0.4
105.91840	0.4
127.54353	0.4
231.10257	0.8
313.14609	0.6
328.16888	1.0
329.17618	100.0
524.60822	0.5
533.23987	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57441	0.3
59.01369	1.5
62.75338	0.4
68.19190	0.4
88.56110	0.4
90.88027	0.4
91.02541	0.4
106.57582	0.4
119.26320	0.4
120.36374	0.4
134.76225	0.4
154.66115	0.4
231.10255	2.5
313.14508	1.8
328.16785	9.0
329.17603	100.0
473.21933	5.1
533.23987	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	533.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92904	1.8
55.07820	1.9
55.89098	2.0
60.45533	1.8
64.28157	1.7
73.65895	2.0
74.02478	2.3
86.08688	2.1
89.13620	1.8
130.31265	2.1
132.17778	2.0
167.16646	2.7
445.74063	2.6
533.25232	100.0
542.63196	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	533.2527
Annotation	ANTIMYCIN A (A1 shown)
Peak:m/z	Relative Intensity
58.61486	2.3
59.01374	12.5
70.14844	2.5
71.01380	2.3
89.02430	3.5
92.20074	2.8
92.41302	2.9
99.74849	2.6
101.02438	2.6
107.05032	18.0
133.70630	2.7
149.06108	3.7
165.09203	67.3
254.94490	3.2
257.05072	3.2
299.54562	3.1
307.10413	5.6
533.17004	3.5
533.25208	100.0
534.80426	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	533.2526
Annotation	ANTIMYCIN A (A1 shown)
Peak:m/z	Relative Intensity
56.96399	1.6
58.70477	1.4
59.01371	10.1
71.01396	2.0
86.63000	1.7
89.02428	2.1
92.20066	3.1
101.02409	2.2
122.92370	1.3
149.02441	2.0
255.06477	9.6
533.24982	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	533.2527
Annotation	ANTIMYCIN A (A1 shown)
Peak:m/z	Relative Intensity
56.33070	1.4
81.82159	2.0
112.83698	1.9
118.48191	1.9
309.15210	1.9
453.39594	2.1
533.25250	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	533.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18369	2.4
62.50708	2.0
67.66964	2.2
71.01385	2.4
89.02427	4.2
97.90601	2.4
99.00860	5.0
156.62210	2.7
207.84209	3.0
357.76331	2.5
361.12033	2.5
385.40060	2.6
533.25122	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	534.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02761	1.3
54.00743	1.4
56.92148	1.3
57.03199	1.9
57.03451	27.5
59.01382	82.7
61.98835	11.9
71.01380	3.4
89.02424	2.0
101.02436	18.1
121.06570	6.1
135.11797	7.4
136.01563	1.5
137.09721	6.2
156.60321	2.0
159.11787	1.8
161.09720	9.8
163.07648	46.9
166.11221	1.5
181.08704	2.2
182.53755	1.6
197.11838	71.9
204.18999	1.5
205.08699	2.8
241.10818	17.5
265.10712	5.7
283.11859	6.9
313.12958	9.7
331.84970	1.7
343.13977	43.2
403.16150	100.0
534.29895	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	534.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51616	0.5
54.03783	0.5
55.11160	0.5
63.18061	0.5
67.46999	0.5
69.51918	0.5
78.27731	0.5
102.18116	0.5
110.00969	0.5
137.21535	0.6
144.43146	0.5
148.89786	0.5
170.65598	0.7
182.23299	0.7
191.16620	0.5
313.18124	100.0
330.18396	0.7
331.19183	50.2
335.18390	0.6
338.25119	0.6
534.27106	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0375
Annotation	UDP-xylose
Peak:m/z	Relative Intensity
51.77346	0.7
74.94682	0.7
76.34451	0.7
78.95908	100.0
81.45076	0.6
84.76403	1.0
85.10963	0.8
96.96961	55.6
97.46271	0.9
99.82357	1.0
111.02000	16.4
138.98036	6.5
150.98073	6.6
158.92554	20.7
174.98006	1.8
176.93524	1.4
192.99135	4.4
211.00145	17.6
272.95639	12.3
280.02258	4.7
290.96719	4.1
305.01648	1.7
323.02875	52.5
340.44763	0.8
384.98450	4.6
446.41937	0.8
535.03760	61.9
558.04425	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	535.1823
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
52.12603	0.4
53.57632	0.4
55.01904	0.5
59.01381	3.4
60.04595	0.4
71.01376	1.7
72.28836	0.4
73.02955	0.5
78.44610	0.5
82.97665	0.5
83.01385	33.8
85.02973	2.5
99.00896	4.2
101.02505	0.8
106.24562	0.4
109.02955	1.5
121.02953	0.7
122.03740	7.4
123.04514	8.7
136.01654	0.6
136.05336	1.0
137.02443	11.1
137.06076	11.5
138.03268	2.2
146.53618	0.5
147.04538	3.6
151.04016	15.3
152.04881	0.8
153.05600	1.9
155.10764	0.6
156.55295	0.5
160.05225	0.5
161.06154	0.9
162.06848	0.7
163.07651	0.9
164.04811	0.9
165.05569	0.6
179.07143	3.5
189.05576	1.0
191.07132	1.9
204.04300	1.8
205.05055	0.8
206.05843	5.6
207.06599	5.0
211.06184	0.6
221.08177	9.7
225.07701	2.5
297.11401	0.8
314.11667	3.0
341.10318	0.7
343.08224	1.1
358.10626	25.1
373.12958	100.0
535.18219	31.9
535.28662	3.0
553.36865	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	535.1824
Annotation	Phellavin
Peak:m/z	Relative Intensity
58.74099	0.7
63.58940	0.7
85.02944	1.5
108.02163	4.2
109.02950	7.6
123.04516	9.7
131.90558	0.7
137.02434	0.8
137.92201	0.7
145.02809	0.7
145.99670	0.8
151.03970	3.3
155.05046	0.7
159.04491	3.1
160.05281	14.2
162.03258	0.9
162.06844	0.9
163.07635	5.0
171.04524	0.8
172.05331	7.7
173.06070	17.2
175.07610	1.9
187.07626	3.9
204.04333	3.1
205.87164	0.8
207.06541	1.7
217.05052	34.7
219.06693	7.6
231.06607	19.1
237.07686	1.1
238.78850	0.8
281.08127	1.6
296.10596	7.9
311.12946	8.5
340.09647	9.9
347.88602	0.8
348.40332	0.8
355.11938	24.4
373.12943	100.0
443.85489	0.8
535.18506	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	535.1825
Annotation	Phellavin
Peak:m/z	Relative Intensity
51.54665	0.7
51.85056	0.8
59.01369	4.5
71.01352	1.2
85.02967	1.3
89.02431	1.0
91.02411	0.8
103.65347	1.0
108.02166	4.1
109.02953	10.5
123.04535	11.1
148.05309	2.2
151.04013	4.1
153.93788	0.9
155.13127	1.1
159.04520	2.1
160.02245	0.9
160.05299	18.0
163.07655	5.9
172.05295	6.7
173.06073	19.2
175.07648	4.1
204.04285	6.3
207.06650	2.3
210.05186	1.1
217.05051	37.1
218.05904	1.2
219.06618	7.8
231.06604	19.1
279.76492	1.0
281.08115	3.7
295.09799	1.2
296.10593	13.5
311.12900	9.2
340.09491	10.3
355.11911	28.8
358.10297	1.8
373.12949	100.0
535.18439	11.3
535.27142	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	535.1824
Annotation	Phellavin
Peak:m/z	Relative Intensity
55.01903	0.6
59.01365	0.9
62.95835	0.7
71.01403	0.9
74.81263	0.6
78.93234	0.7
82.26146	0.8
86.74234	0.9
93.96853	0.7
95.84194	0.7
99.00876	37.5
109.02984	5.5
118.51279	0.8
121.02923	1.4
122.03747	7.9
123.04527	8.3
136.05305	3.2
137.06117	3.6
139.33673	0.7
147.04491	3.6
148.05301	3.1
149.06038	1.3
163.04033	1.5
163.07596	1.1
164.04762	6.2
177.05577	1.0
178.06232	1.1
179.07137	44.3
191.07068	0.9
193.08653	4.5
207.06624	4.5
221.04503	1.1
223.06174	1.0
235.06122	1.3
237.07787	5.2
237.61806	0.7
294.99283	0.8
312.10065	3.3
327.12500	4.1
340.09235	0.9
355.11871	1.0
358.10553	1.0
373.12933	100.0
447.97906	0.8
475.55942	0.8
509.36240	0.8
535.18829	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	535.1825
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
59.01381	2.9
61.94749	0.6
65.82715	0.6
71.01372	0.8
71.27891	0.6
83.01388	38.3
101.02447	0.6
101.57150	0.6
122.03747	7.5
123.04527	7.0
124.01649	0.8
136.01685	0.7
136.05305	1.1
137.02434	12.1
137.06078	12.8
138.03204	2.7
147.04471	2.9
151.04015	15.2
153.05597	0.6
160.05252	0.7
161.06061	0.8
162.06786	0.7
166.05994	0.7
189.05528	1.1
206.05833	2.4
207.06664	5.8
221.08211	7.2
225.07562	2.4
296.11609	0.6
314.11691	0.7
343.08316	0.9
358.10596	26.6
373.12943	100.0
381.94827	0.8
409.48703	0.7
535.18329	22.9
535.25787	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	535.1823
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
53.20276	0.5
54.41722	0.6
56.53395	0.5
58.72661	0.5
72.56483	0.5
81.27259	0.5
83.01387	38.4
92.20031	0.8
93.73920	0.6
116.93784	0.6
122.03745	7.3
123.04527	5.4
136.01714	1.2
137.02415	8.8
137.06068	11.2
138.03270	1.2
146.03697	0.6
147.04506	1.3
149.62395	0.6
151.04018	16.1
162.06874	0.6
163.07640	0.8
181.35271	0.7
189.05634	0.7
191.07167	0.7
203.01593	0.6
205.05008	0.8
206.05858	2.6
207.06552	5.2
221.08179	6.7
225.07663	2.5
314.11560	1.3
341.10284	1.1
354.15283	0.7
358.10611	23.0
370.61700	0.6
373.12936	100.0
525.39063	0.8
535.18188	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	535.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93538	0.9
57.14722	0.9
59.01387	16.5
64.03631	1.0
71.01387	1.0
83.01376	10.8
91.87813	0.9
92.20084	2.0
99.94429	0.9
121.02958	2.1
122.03696	1.1
136.05304	1.1
137.06102	1.8
147.64088	1.0
150.60979	1.1
175.07581	1.4
231.56584	1.0
239.53123	0.9
255.06544	1.6
268.07455	4.3
269.08554	1.0
270.08987	1.4
272.33356	1.2
282.09061	11.1
283.09634	1.9
295.09628	1.5
296.10519	1.6
315.15945	1.6
330.18567	8.8
331.19168	100.0
332.19464	2.3
334.02271	1.1
366.10818	3.7
458.02512	1.0
475.13974	4.8
475.23264	4.4
475.30746	5.1
487.14081	3.7
490.16312	4.9
505.18716	27.9
517.18738	25.2
535.19489	1.9
535.25586	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.29253	0.3
71.01373	0.4
73.02949	0.4
85.02944	3.2
85.20830	0.3
87.00912	1.1
89.02420	0.4
93.03459	1.2
96.96014	0.3
97.06594	0.4
97.78844	0.3
109.02905	0.4
111.04454	0.4
113.02416	0.5
125.02424	0.4
127.03969	0.4
137.02490	0.4
145.41467	0.3
151.18066	0.3
165.05582	2.5
173.04518	0.7
181.08643	0.4
191.05621	100.0
195.06648	0.6
215.09227	0.3
275.05634	0.4
297.04590	0.3
369.11771	0.4
371.34750	0.3
373.12888	0.6
427.51544	0.3
535.16797	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	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.29253	0.3
71.01373	0.4
73.02949	0.4
85.02944	3.2
85.20830	0.3
87.00912	1.1
89.02420	0.4
93.03459	1.2
96.96014	0.3
97.06594	0.4
97.78844	0.3
109.02905	0.4
111.04454	0.4
113.02416	0.5
125.02424	0.4
127.03969	0.4
137.02490	0.4
145.41467	0.3
151.18066	0.3
165.05582	2.5
173.04518	0.7
181.08643	0.4
191.05621	100.0
195.06648	0.6
215.09227	0.3
275.05634	0.4
297.04590	0.3
369.11771	0.4
371.34750	0.3
373.12888	0.6
427.51544	0.3
535.16797	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	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.29253	0.3
71.01373	0.4
73.02949	0.4
85.02944	3.2
85.20830	0.3
87.00912	1.1
89.02420	0.4
93.03459	1.2
96.96014	0.3
97.06594	0.4
97.78844	0.3
109.02905	0.4
111.04454	0.4
113.02416	0.5
125.02424	0.4
127.03969	0.4
137.02490	0.4
145.41467	0.3
151.18066	0.3
165.05582	2.5
173.04518	0.7
181.08643	0.4
191.05621	100.0
195.06648	0.6
215.09227	0.3
275.05634	0.4
297.04590	0.3
369.11771	0.4
371.34750	0.3
373.12888	0.6
427.51544	0.3
535.16797	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	535.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35135	0.5
59.01364	0.5
71.01374	0.4
81.77366	0.5
85.02943	3.1
87.00870	0.8
103.81877	0.5
104.05009	0.5
173.04500	0.6
177.09149	0.4
191.05624	100.0
233.32451	0.5
252.78020	0.5
363.65250	0.5
417.83322	0.5
535.14075	0.7
553.86310	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	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01385	39.9
71.01381	35.2
73.02932	16.5
81.30399	1.5
83.01387	6.3
85.02950	17.9
87.00847	1.8
89.02455	19.2
95.01385	1.8
97.61570	1.8
99.00880	3.1
101.02447	42.1
113.02442	17.7
119.03474	3.2
119.46793	1.5
125.02433	2.0
135.04543	1.6
149.70073	1.6
153.03954	1.7
153.88220	1.5
161.04572	13.4
179.05550	4.0
196.11459	1.7
313.16595	3.6
329.13831	2.1
369.66266	1.5
373.25858	1.9
475.21878	100.0
535.31866	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	535.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49244	0.3
51.30851	0.3
53.34385	0.3
55.90012	0.2
59.01392	0.6
63.76807	0.3
74.26284	0.3
102.86031	0.3
121.02930	0.3
122.03720	2.7
137.06076	0.5
181.08714	100.0
233.77792	0.4
238.02356	0.3
358.16440	0.4
370.43283	0.4
460.24658	0.3
517.17981	0.5
535.26031	3.3
548.73578	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	535.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68052	1.5
54.08897	1.3
56.35268	1.3
59.01385	17.0
65.10802	1.5
70.69599	1.4
79.82872	1.7
96.20657	1.6
103.07415	1.8
177.90134	1.5
247.28708	1.5
313.18234	3.1
315.15973	6.8
329.17587	2.4
330.18356	25.9
331.19174	100.0
475.23459	6.5
475.29971	2.1
535.17719	3.3
535.25476	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	535.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26036	1.2
56.23417	1.2
59.01383	100.0
72.40203	1.2
73.02944	20.6
77.12012	1.3
81.29939	1.4
92.20104	2.0
107.84523	1.5
108.05798	1.4
114.10330	1.5
117.05579	31.8
139.36490	1.5
185.95164	1.5
202.54861	1.4
295.96548	1.5
313.18060	3.0
475.23508	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	535.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76253	2.8
59.01380	16.1
64.33482	2.5
71.01375	2.8
87.00866	3.3
89.02456	3.3
97.76155	2.7
139.67416	2.8
177.98235	2.5
208.41743	3.0
257.17560	3.6
314.18484	3.9
317.89978	2.6
321.15063	2.7
373.25650	3.7
468.23044	2.7
535.25842	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	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.3
61.98846	1.1
71.01384	15.1
73.02940	5.3
73.17715	0.7
83.01382	3.4
85.02952	9.5
89.02423	2.7
94.43314	0.8
95.01389	2.9
97.02956	1.1
99.00888	1.5
101.02435	12.6
101.06083	100.0
113.02465	8.4
113.79085	0.6
115.07611	1.3
125.02417	1.6
127.98537	0.7
136.27441	0.7
143.03499	1.2
161.04576	3.0
289.16592	3.0
399.87122	0.7
433.20865	20.9
433.26288	0.8
451.21814	13.1
525.82343	0.8
535.27191	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	535.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15315	0.5
59.01385	100.0
63.10492	0.6
63.42186	0.5
63.43303	0.5
64.54546	0.8
88.87256	0.6
98.27325	0.6
108.34332	0.7
129.79379	0.6
135.40399	0.6
276.10010	0.7
384.86856	0.7
475.30673	5.3
535.32874	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	535.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	92.2
59.01682	3.1
61.98826	8.6
63.02020	1.6
71.01375	7.7
77.64294	1.6
85.02952	2.9
88.22668	2.3
94.01793	2.1
94.03822	1.7
101.02439	9.5
101.06081	100.0
102.82658	1.8
113.02414	1.9
115.07662	1.9
128.00490	1.8
131.10013	1.8
167.72734	1.7
178.05605	1.8
202.56512	2.1
240.01416	1.8
289.16623	1.7
291.25320	2.0
298.31979	2.1
335.22150	2.3
354.90894	1.9
358.93393	2.0
416.95938	1.9
433.20679	18.2
451.21698	3.3
535.26965	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	535.328
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
55.51100	2.5
59.01097	5.0
59.01385	100.0
60.22271	2.4
64.08648	2.4
121.22413	2.8
141.26068	2.7
153.48061	2.5
184.08829	3.0
475.30789	27.0
523.52618	3.3
535.32837	30.1
535.39819	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	535.3284
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
52.02060	1.1
59.01388	25.9
60.99313	1.6
64.72621	1.4
72.06125	1.3
75.24339	1.3
85.02950	5.2
87.00885	2.0
88.97984	1.3
88.98814	15.6
89.02405	2.0
97.06592	43.8
118.73776	1.6
129.09236	7.2
140.30064	1.3
145.98996	1.3
167.10780	6.6
173.11827	85.0
182.52849	1.4
204.95114	1.5
283.17233	2.0
301.18057	21.1
309.18741	2.1
327.19672	1.9
345.20761	6.5
457.29477	2.4
471.78748	1.4
475.30707	100.0
535.25977	11.0
535.31903	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	535.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21893	6.4
75.53282	6.7
82.98975	6.3
96.96072	6.8
101.79728	6.0
107.71780	6.1
131.54845	5.9
231.10266	34.5
313.14221	13.9
317.68579	6.7
328.16861	100.0
428.69479	7.9
535.34528	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.2
66.36501	0.7
75.89433	0.9
100.73143	0.8
106.53614	0.7
130.03232	1.0
154.64066	0.9
178.67957	1.0
198.26411	1.0
216.90077	0.8
231.10268	40.5
247.84254	1.1
282.25247	1.3
285.15158	1.3
313.14468	21.4
328.16833	100.0
351.59573	0.8
433.21133	0.9
535.34393	48.2
545.06982	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	536.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
68.81444	0.8
81.11859	0.8
82.43816	0.8
88.36295	0.8
91.12950	0.7
114.27209	0.8
165.09175	4.4
224.66089	0.7
224.79892	0.9
236.84718	0.7
473.19946	1.3
536.19989	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	536.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
60.40908	0.6
61.98837	100.0
64.13026	0.6
67.29523	0.5
68.44392	0.9
69.05997	0.6
71.16843	0.6
85.67410	0.7
102.83852	0.6
122.73436	0.7
157.91441	0.6
162.71809	0.6
166.19600	0.8
177.01756	0.7
245.54132	0.7
450.18118	0.8
536.26453	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	536.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72096	7.5
58.77343	7.5
59.01385	100.0
60.01714	9.8
69.40299	7.9
71.27656	9.2
71.28049	9.2
117.48884	9.7
139.41467	9.6
445.50708	9.3
536.33331	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	537.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42329	0.6
52.20096	0.8
76.88609	0.8
93.03471	1.1
94.69972	0.7
101.55299	0.8
114.97274	0.8
117.03461	8.8
157.03177	0.8
159.04480	1.7
161.02487	0.7
191.85202	0.8
278.60831	0.8
284.75977	0.7
309.04065	55.8
331.06146	25.5
333.04080	5.9
335.01987	3.8
336.19165	0.8
373.07285	1.7
375.05124	30.6
388.07535	0.8
399.04971	4.4
401.03113	3.5
417.06195	7.2
493.05573	0.9
519.07214	8.2
520.36353	0.8
537.08313	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	537.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64723	0.7
77.24617	0.7
90.92199	0.8
93.03439	1.6
117.03458	6.9
159.04552	6.2
203.03497	1.9
230.55400	0.8
305.73206	0.9
305.89087	0.9
307.06104	4.7
310.66315	0.8
331.06128	21.4
333.04007	1.8
357.04373	0.8
375.05121	100.0
399.05127	18.7
401.03033	4.7
409.10370	0.7
417.06201	21.5
443.04068	4.3
517.08008	0.8
537.08264	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
68.83573	0.5
71.14957	0.5
72.12486	0.6
75.33246	0.5
107.01376	1.2
147.00833	1.0
149.02438	4.5
151.00385	2.6
192.00647	13.7
193.01425	100.0
331.06116	0.8
361.07190	17.2
375.05142	1.3
385.07184	1.3
408.95618	0.7
483.35400	0.7
537.08313	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31512	0.8
59.01388	11.9
60.99315	13.3
61.98820	1.3
62.54787	0.8
67.47876	1.0
68.99747	0.8
71.01366	1.7
77.90051	0.9
88.98804	100.0
90.17923	1.1
101.02438	1.2
128.21875	0.9
155.04512	1.0
217.01270	1.1
255.02899	1.7
255.75269	1.0
284.03433	9.1
285.03891	3.2
333.20798	1.0
402.44781	1.0
447.09293	14.7
454.13483	1.0
503.49194	0.9
537.27063	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	537.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14046	1.3
59.01371	1.7
71.70267	1.3
77.71472	1.5
95.01392	1.8
99.00877	1.7
105.01914	5.9
109.02937	1.6
125.02466	11.5
137.02373	2.0
145.02937	12.0
155.03528	2.6
167.03476	1.9
171.54904	1.4
185.06073	7.2
187.04047	1.9
197.09142	1.7
199.07802	5.1
201.05583	1.8
227.07156	3.2
229.05074	25.5
241.05048	8.2
243.06616	3.2
255.02968	7.1
257.04568	2.6
259.06186	2.1
268.03790	1.8
269.04599	6.1
271.06122	43.6
281.04507	2.0
283.06134	16.5
295.06198	2.8
297.04007	28.8
299.05539	10.6
301.07275	25.1
311.05594	20.6
313.07269	2.8
327.05063	18.4
329.06616	9.6
340.05563	1.7
341.06750	9.0
357.06195	1.7
417.08328	28.1
431.10150	1.7
447.09271	3.0
449.10342	1.6
519.11591	2.2
537.12524	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18901	0.8
69.03454	1.1
81.03468	1.8
86.33067	0.9
95.05010	5.0
97.02958	9.4
109.02961	0.9
117.03436	1.1
119.04997	5.8
123.04517	67.2
125.06084	4.0
126.50397	0.9
145.02960	55.5
163.04002	4.9
167.07138	100.0
179.05594	3.6
211.06137	52.2
213.85561	0.8
325.09332	38.9
551.31635	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	537.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.7
72.58054	1.2
95.46989	1.5
112.26747	1.5
117.19051	1.5
122.74965	1.4
194.20438	1.4
241.39886	1.2
279.10239	9.2
281.05145	1.4
307.09622	11.1
322.12115	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	537.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80566	0.3
54.83313	0.3
56.40493	0.3
59.01373	1.9
84.51538	0.3
85.02956	2.5
90.19318	0.3
93.03468	1.3
109.76041	0.3
111.00871	0.3
113.02448	0.4
115.00460	0.4
127.04047	0.6
136.58488	0.3
139.88559	0.3
151.03946	0.4
173.04526	0.6
191.05623	100.0
194.99054	0.4
320.49670	0.3
348.91098	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	537.198
Annotation	Bidenlignaside B
Peak:m/z	Relative Intensity
53.42749	1.3
53.94971	1.4
55.84800	1.4
57.03447	2.8
59.01105	2.1
59.01386	50.7
71.01381	26.9
72.99336	1.4
73.02937	6.5
83.01377	2.1
85.02943	7.3
89.02441	41.1
101.02455	22.2
103.61037	1.2
109.02918	1.7
113.02425	15.8
119.03465	15.1
121.02939	5.1
121.06582	3.0
122.03714	2.7
123.04549	2.3
131.03499	1.7
132.26524	1.3
137.06018	1.8
137.09715	1.7
143.03505	2.8
143.07050	1.3
149.02435	8.0
150.03229	59.1
151.03990	3.4
151.06114	6.7
161.04550	6.0
161.09717	6.0
163.07579	11.1
164.04791	7.1
165.05554	100.0
171.32863	1.8
177.05647	2.4
179.05701	10.0
179.07097	1.6
180.04353	10.2
181.08722	1.8
191.05623	20.7
191.07188	7.5
195.06638	34.0
202.06377	2.1
236.17798	1.6
246.91109	1.4
312.09860	2.7
323.09311	2.0
324.10071	9.1
327.12460	15.0
329.10373	8.2
339.12451	28.5
360.12152	6.9
375.14560	17.9
489.17441	3.5
493.23196	1.7
519.18860	6.7
537.20734	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Tanegoside
Peak:m/z	Relative Intensity
59.01395	3.1
61.21508	0.8
71.01395	2.0
71.17174	0.8
84.20807	0.9
89.02460	1.8
92.19501	1.2
101.02392	1.1
109.02943	1.0
109.09534	0.9
121.02959	11.1
136.01619	5.0
136.82567	0.8
151.04021	10.4
175.03972	1.1
176.04793	3.8
189.05537	1.3
190.06337	5.0
191.05569	1.1
191.07138	6.7
195.06659	6.8
217.43124	0.9
267.06653	9.2
279.06577	4.9
282.08984	51.6
294.09055	5.6
297.11331	100.0
309.11511	1.5
312.10074	17.8
315.12341	1.3
327.12418	41.6
345.13638	24.8
357.13287	3.8
375.14496	76.3
537.13831	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	537.1977
Annotation	Tanegoside
Peak:m/z	Relative Intensity
50.52040	1.0
50.94076	1.1
55.13763	1.2
59.01389	16.0
71.01373	6.2
75.56110	1.4
85.02951	1.8
89.02426	7.9
101.02430	2.7
109.02939	5.3
113.02456	5.6
123.04527	2.5
136.01656	9.3
137.02475	1.9
151.04002	24.9
160.05270	3.0
161.06091	3.1
163.38783	1.3
167.99142	1.6
173.06070	1.6
175.04054	2.3
176.04752	5.9
189.05530	5.9
190.06345	12.7
191.07187	16.2
204.45668	1.5
205.08763	2.9
264.50635	1.4
267.06540	2.8
279.06589	10.7
282.09094	13.1
293.08051	1.6
294.08929	15.8
297.11374	23.7
309.07965	1.8
309.11172	1.6
312.10062	35.6
315.12457	1.6
324.09964	2.5
327.12399	100.0
339.12415	19.0
345.13489	13.4
357.13446	28.4
375.10193	2.3
375.14526	50.2
491.22073	1.8
537.20044	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	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.0
63.98788	1.7
71.01369	15.2
81.47726	1.9
85.02951	5.0
87.60941	2.2
89.02437	21.7
93.70051	2.1
95.38864	2.3
101.02437	15.0
113.02446	10.1
119.03476	4.5
123.65499	2.3
125.40037	1.9
137.09743	27.7
150.18762	2.0
154.51137	1.9
155.10788	34.8
161.04530	4.5
166.33351	1.9
167.07120	2.4
179.10732	2.5
193.07161	4.1
199.09750	10.6
223.09731	3.4
296.10165	2.6
311.09293	2.8
312.10138	21.1
315.19824	2.2
327.12436	21.7
379.65283	2.2
477.23373	11.9
511.46429	2.6
537.21875	100.0
537.29681	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	537.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.8
57.21319	0.8
59.01383	24.0
60.57684	0.8
61.87237	0.8
71.01376	13.5
73.02953	1.1
85.02946	1.7
89.02438	25.3
95.73577	0.9
96.56393	0.8
101.02444	13.7
107.04798	0.8
113.02448	8.1
119.03503	10.4
121.06598	7.6
121.82638	0.9
133.27858	1.0
133.95984	1.0
135.11841	1.2
137.09726	7.2
145.06586	1.0
150.03210	1.2
151.06105	18.0
161.09746	8.8
163.07645	30.5
168.03021	1.7
179.05592	1.7
179.10704	1.7
181.08694	4.8
223.09689	3.8
313.11429	3.9
327.12503	1.1
339.07730	1.1
493.22693	1.3
537.21918	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	537.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.9
59.64447	0.7
62.92057	0.8
67.56208	0.9
68.96279	0.8
70.16846	0.8
71.01379	9.1
73.02924	1.8
83.01363	1.1
83.16905	0.9
85.02942	2.1
87.00865	1.1
89.02442	10.9
92.19368	0.9
97.02942	1.2
99.00902	1.2
101.02445	9.9
113.02431	5.8
119.03465	4.6
120.52992	0.9
125.02416	4.7
131.03551	1.0
132.96771	1.0
135.70805	1.0
137.09720	11.5
155.10783	68.4
161.04556	14.7
169.12289	10.2
175.06000	0.9
179.10751	3.9
181.08704	1.6
193.07173	12.9
199.09795	17.3
213.80782	0.9
223.09738	1.5
229.41190	0.9
233.72023	1.0
250.57156	0.9
285.03937	1.7
375.13461	1.5
447.09116	1.3
537.21857	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72269	2.1
54.02044	1.7
59.01101	4.2
59.01389	100.0
59.03501	1.8
61.18586	1.9
61.39730	2.1
71.01383	34.6
72.85869	2.0
73.02942	26.2
75.87785	2.0
84.98662	2.4
85.02952	14.5
87.00874	11.2
89.02457	26.3
101.02457	42.8
103.04029	11.9
113.02420	23.1
115.03993	5.1
119.03510	4.1
131.03461	4.9
135.04533	3.1
136.05324	4.3
143.03511	14.7
148.97054	2.2
161.04567	9.0
163.06126	29.3
195.06609	21.9
205.07185	9.8
207.01144	2.5
265.09381	7.7
315.19592	3.1
331.18253	2.7
340.42130	2.4
375.13602	2.8
477.23831	70.5
537.19904	26.4
537.27051	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	537.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	39.9
71.01379	30.7
72.99301	1.7
73.02955	10.1
75.00874	1.3
79.42672	1.2
83.01394	5.0
85.02945	13.4
88.98811	5.3
89.02428	7.8
95.01382	1.8
97.06593	8.2
99.00883	1.9
101.02441	31.2
103.13039	1.4
112.98530	2.2
113.02464	16.4
161.04579	7.2
169.76115	1.3
173.11859	9.8
217.01941	1.3
220.47969	1.4
303.19690	1.5
315.18292	5.6
353.10608	1.6
367.30878	1.5
477.23492	100.0
477.32025	27.2
537.26599	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	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.8
69.94957	1.8
71.01379	22.1
73.02946	13.1
75.03173	2.0
83.01379	4.3
85.02954	8.7
88.54048	1.9
89.02451	4.9
99.00846	2.4
101.02446	29.1
113.02437	16.2
143.03491	3.5
161.04573	15.6
163.06108	3.5
173.41515	2.0
177.54007	2.2
200.89641	1.9
331.17712	13.3
477.16986	4.2
477.23499	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	537.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67624	1.2
57.05608	1.2
59.01385	100.0
59.01685	3.2
72.77915	1.3
74.86209	1.3
81.83675	1.3
122.04398	1.7
162.03505	1.5
209.04521	10.6
242.53365	1.4
306.55038	1.5
329.17581	3.1
363.94040	1.7
393.37106	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	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89717	4.2
59.01104	5.0
59.01385	100.0
59.51580	3.5
68.40189	3.7
71.81610	3.6
71.83271	4.1
74.37978	3.9
85.67015	3.6
90.57620	3.5
272.36267	5.1
384.36249	4.1
391.10254	4.2
490.25064	4.7
495.22525	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	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.57201	0.9
93.21100	1.0
280.23685	1.3
308.46207	1.0
309.99054	1.4
315.19595	1.4
322.68671	1.2
351.65222	1.0
522.37274	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	537.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38057	2.1
50.61185	2.6
59.01385	100.0
63.47336	2.4
63.63277	2.7
71.86277	2.5
144.82430	2.8
213.57642	2.4
322.53448	2.5
537.17023	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	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27166	1.2
54.54315	1.4
56.52036	1.2
59.01386	100.0
69.44453	1.3
73.27194	1.4
80.72712	1.4
81.09070	1.3
87.83217	1.5
93.60160	1.3
100.53877	1.7
100.58385	1.4
102.07167	1.3
103.77862	1.4
106.18874	1.4
131.78209	1.4
168.27310	1.5
274.80496	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	537.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
65.54533	0.9
87.87593	0.8
103.38235	1.1
116.92846	7.0
134.03748	41.4
135.53397	0.8
137.02461	3.5
149.06073	28.1
158.93852	0.9
175.03934	0.9
178.01184	1.7
178.02727	48.9
193.05074	100.0
248.56360	1.0
300.46017	1.1
328.16824	1.0
375.05026	1.2
502.44644	0.9
515.15448	0.9
537.08478	2.6
537.30695	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.46717	0.7
71.08154	0.7
74.75003	0.7
89.72243	0.8
91.82632	0.8
94.62398	0.7
108.96480	0.8
117.03497	1.0
135.40704	0.8
141.30818	0.8
165.35423	0.9
166.89684	0.8
176.80629	1.0
309.04105	4.9
315.19455	1.9
329.17886	0.9
331.06262	6.1
375.05133	15.1
399.05054	4.0
417.06076	4.7
537.08356	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	537.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79044	6.1
54.99618	4.6
56.11004	4.9
59.01388	6.1
61.88041	6.4
65.50638	5.6
75.23377	5.8
93.91311	5.8
97.06590	11.5
112.65823	6.0
149.73160	5.7
150.35220	5.7
172.83640	6.4
173.11862	13.0
245.15425	10.7
269.68896	6.6
334.35709	6.8
419.27750	7.0
473.29068	12.9
491.30206	100.0
537.30865	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17645	0.7
59.01387	100.0
62.70052	0.7
63.72098	0.7
64.40014	0.6
73.54039	0.6
130.18448	0.7
191.74901	0.8
245.20522	0.7
302.56635	0.8
351.23331	0.8
355.87433	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	537.3283
Annotation	Virenamide A
Peak:m/z	Relative Intensity
59.01386	54.6
59.01686	1.8
61.68203	0.6
71.01378	8.3
73.02957	3.6
76.63136	0.7
83.01367	1.4
85.02951	3.5
89.02434	7.0
92.19538	1.0
95.01379	0.9
99.47120	0.7
101.02438	10.3
113.02466	2.9
119.03484	1.1
121.02914	0.7
123.04548	1.2
132.24664	0.7
147.66150	0.7
167.07095	0.7
243.10265	0.9
272.68991	0.7
287.16492	0.9
313.14478	1.2
329.23355	1.3
331.15585	6.2
357.26572	5.9
360.11942	0.8
373.69781	0.7
375.14221	4.8
375.23389	1.1
375.27518	27.4
441.94189	0.9
470.95599	0.8
477.24167	1.3
513.14252	0.8
519.31732	1.7
537.20831	11.3
537.32916	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	537.3281
Annotation	Virenamide A
Peak:m/z	Relative Intensity
59.01386	16.0
59.09418	0.6
59.15389	0.6
65.53679	0.6
71.01388	7.5
71.80466	0.6
73.02945	1.1
75.24194	0.5
83.01374	0.9
85.02946	2.7
87.00850	0.6
89.02443	6.9
92.86494	0.6
95.01382	0.9
101.02439	7.2
104.66519	0.7
113.02443	4.2
208.99071	0.6
318.69244	0.6
329.23413	1.4
357.26462	11.7
367.42093	0.6
373.26108	0.6
375.27551	27.0
519.31866	3.4
537.32843	100.0
553.42114	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	537.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62059	0.4
52.91359	0.4
59.01381	14.5
60.10870	0.4
62.78985	0.4
63.96955	0.4
64.44581	0.4
68.19456	0.4
68.62657	0.4
71.01378	6.4
73.02953	1.9
83.01369	0.7
85.02961	2.2
87.00867	0.6
89.02438	4.6
92.20057	0.9
101.02438	6.0
107.30131	0.4
110.23666	0.5
113.02439	3.7
119.03487	0.9
135.02582	0.4
161.95886	0.4
231.13640	0.5
241.03621	0.4
245.17999	0.4
298.23346	0.4
329.23328	1.0
331.15259	0.8
357.26535	7.5
373.26248	0.7
375.27493	24.2
402.74515	0.4
430.51541	0.5
519.31653	3.4
537.32813	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	537.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86296	0.7
57.03439	0.6
59.01382	35.4
71.01376	13.8
73.02925	3.6
73.10049	0.7
83.01382	1.0
84.78703	0.7
85.02958	6.0
89.02437	11.9
95.01382	0.9
101.02443	14.9
113.02431	6.7
116.57882	0.8
119.03460	4.3
131.03526	0.9
166.56978	0.8
167.10773	1.1
179.05579	1.2
285.20587	1.3
315.19653	9.8
323.09808	1.5
329.23276	3.8
357.26532	8.5
375.27496	18.4
477.23441	6.1
537.32831	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	537.3437
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
51.24791	0.6
54.28861	0.7
59.01385	100.0
68.81236	0.7
85.02935	0.9
85.93104	0.7
90.45943	0.8
105.25296	0.8
172.86530	0.8
191.88287	0.7
193.23898	0.8
199.69714	0.8
217.64246	0.7
233.31927	0.8
242.45206	0.8
284.74591	0.7
301.18475	1.0
428.45560	0.8
436.04041	0.7
470.31479	0.8
477.32227	12.9
537.34485	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20415	0.6
57.56625	0.6
59.01387	100.0
71.01376	1.2
85.02959	3.2
85.75937	0.7
88.98827	0.9
89.02447	1.0
101.02419	1.7
104.66368	0.6
123.82835	0.9
139.87167	0.6
157.12315	3.3
239.78494	0.8
268.46631	0.7
283.16891	1.0
301.18115	1.3
310.54883	0.7
315.19537	1.3
319.19208	1.4
333.20914	1.0
336.60251	0.7
367.46860	0.7
411.15024	0.8
477.25018	5.0
477.32156	13.8
537.26855	4.5
537.34259	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	537.3438
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
58.22704	4.9
59.01383	100.0
77.60983	5.3
92.20885	6.3
105.72948	5.5
123.04607	7.0
235.65768	6.8
491.33896	10.0
537.34619	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32241	0.5
72.31175	0.5
83.41354	0.5
84.39140	0.6
99.92577	2.6
114.51431	0.5
116.92853	100.0
143.96924	0.6
322.51157	0.6
376.05499	1.0
393.22757	3.5
420.24023	2.9
538.08563	2.8
538.31158	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	538.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18285	0.7
72.99304	22.2
73.68272	0.8
74.40913	0.8
78.83090	0.8
118.06622	1.8
119.05009	1.3
132.04576	1.3
134.06125	4.0
144.10677	0.7
146.06075	1.7
162.05594	28.0
179.25642	0.7
180.06590	1.0
190.05107	9.7
208.06158	100.0
285.50500	0.9
346.96609	0.9
421.84634	0.8
494.01682	0.8
534.42700	1.0
548.22333	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	538.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44860	0.6
55.90477	0.6
59.01393	3.0
61.98836	100.0
62.06791	0.6
63.60144	0.7
65.00453	0.6
65.09059	0.6
69.78564	0.6
70.90089	0.6
72.15611	0.6
94.00486	0.7
121.05635	0.8
123.79058	0.7
168.68776	1.0
239.53424	0.6
313.18124	20.3
388.58936	0.7
475.23361	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	539.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51920	1.4
59.01390	33.4
59.71004	1.5
66.93709	1.3
71.01384	7.3
87.00877	2.0
89.02452	3.5
99.00884	1.7
101.02446	8.1
104.16800	1.7
113.02452	3.3
121.02951	100.0
125.60426	1.5
135.04529	40.3
145.02980	14.9
146.03729	2.6
147.04533	5.9
150.03215	3.2
161.02426	6.6
161.04558	3.4
162.03201	26.1
163.03999	8.2
164.04831	1.6
165.05566	5.9
177.05582	11.0
192.73711	1.5
195.06622	2.2
259.18729	1.6
283.08093	2.2
339.10800	7.9
461.14764	5.9
479.15637	8.1
479.26385	7.5
505.82159	1.8
539.29443	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	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38678	0.8
52.11134	0.9
56.70620	0.9
58.00601	1.9
59.01384	23.3
66.11604	0.9
71.01372	5.4
73.02951	2.1
76.97126	1.1
85.02962	4.4
87.00895	4.7
88.95527	1.1
88.98769	1.1
89.02453	2.3
101.02449	2.1
109.02965	1.1
113.02398	1.9
121.02942	14.9
123.04472	2.3
135.04578	1.5
145.02898	2.0
146.89374	1.1
147.99442	1.1
149.02417	8.9
150.03221	42.1
152.01178	1.6
153.01947	2.4
153.05531	9.4
162.03192	6.3
162.24521	1.1
164.04771	14.9
165.05563	100.0
177.05612	2.2
180.04286	4.8
181.08871	1.1
194.62592	1.1
195.06645	32.0
226.74110	1.1
278.64148	1.1
299.16553	2.5
317.17712	6.0
431.13516	35.4
479.26572	5.6
539.22321	7.8
539.28802	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	539.1772
Annotation	8-Feruloylharpagide
Peak:m/z	Relative Intensity
53.86774	0.9
56.04033	0.8
56.08360	0.9
59.01383	2.3
63.68033	1.0
72.03786	1.1
86.23551	0.9
91.05508	2.2
100.27219	1.0
103.11514	1.0
103.39249	1.0
107.05054	7.4
111.35144	1.1
121.02982	1.6
134.03769	1.7
135.04529	100.0
136.05310	2.4
137.06055	6.4
145.02919	5.0
149.06105	6.5
150.03218	5.6
161.06137	1.5
165.05530	8.9
179.07170	5.4
181.05072	22.5
195.06604	11.4
227.70576	1.0
235.06085	7.1
253.07201	1.2
254.61655	1.3
310.36758	1.2
329.10272	1.8
341.10379	1.3
359.11407	12.9
377.12418	30.8
395.14435	1.1
539.17596	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	539.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00695	0.8
59.01395	7.3
69.61360	0.9
75.02197	1.0
78.04352	1.0
91.39778	1.2
121.02950	100.0
145.71782	0.9
164.00682	0.9
217.12350	2.2
243.10378	1.2
327.12366	5.3
329.14172	1.2
331.15442	4.8
357.13464	2.0
373.16428	1.0
417.15729	11.1
539.19012	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	539.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88354	0.6
59.01366	0.7
71.40000	0.8
72.05502	0.6
77.52943	0.6
91.02077	0.6
99.92577	2.6
108.39653	0.6
110.58126	0.8
116.92858	100.0
130.39648	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	539.2134
Annotation	Erizomycin
Peak:m/z	Relative Intensity
57.03448	3.6
59.01384	91.9
71.01370	13.4
73.02949	7.3
75.00866	1.2
75.21217	0.9
81.85818	1.0
83.01405	1.9
84.27929	0.8
85.02944	6.4
89.02435	10.7
95.01406	1.2
101.02438	11.5
113.02423	9.3
119.03500	4.0
121.06592	3.9
123.03652	1.7
123.04511	35.8
131.03490	0.9
137.09735	4.4
150.03223	1.3
153.05566	100.0
158.35555	0.9
161.04547	5.4
161.09711	3.7
163.07626	15.0
165.05606	1.0
165.21242	0.9
167.03320	1.0
179.05577	1.7
181.08621	1.1
205.08620	1.4
259.19165	1.1
303.21713	1.4
319.32526	0.9
336.61508	1.0
385.15088	1.6
392.55786	1.0
439.34802	1.0
447.26593	1.6
479.25851	16.3
512.15179	0.9
539.21295	68.8
539.28571	16.1
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	Tinosposinenside C
Peak:m/z	Relative Intensity
59.01384	100.0
71.01378	24.0
73.02948	4.0
85.02951	7.1
88.98827	1.8
89.02452	22.9
101.02456	18.2
112.53156	1.9
113.02433	10.3
121.02943	2.5
122.03712	1.7
123.04492	3.0
136.86148	2.0
146.59407	1.8
149.04544	8.3
149.06142	1.6
153.05597	2.4
161.04550	3.6
162.60599	1.6
165.05605	2.4
166.06340	30.8
167.07092	3.5
179.05701	3.1
179.07150	2.2
181.08696	27.3
191.49483	1.6
247.77750	1.9
278.72885	1.6
300.92584	1.8
333.17056	2.2
359.15030	3.0
361.16501	2.4
377.15952	12.7
381.42062	1.8
455.18805	3.1
479.26291	15.2
479.32364	29.4
493.20844	11.2
497.20273	14.6
521.21606	2.5
539.20935	20.1
539.28723	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31723	2.7
59.01103	4.3
59.01387	100.0
71.01386	50.2
85.02928	5.8
85.86697	3.1
89.02441	77.2
91.75483	3.2
96.79404	3.3
101.02442	34.7
113.02396	25.9
119.03487	25.4
120.33260	3.6
121.02884	3.1
140.41640	3.6
150.03224	16.8
162.03242	62.2
165.05453	23.5
166.06374	19.5
177.05562	47.5
179.05678	26.3
181.08737	13.9
182.17116	3.4
195.06667	4.8
263.33521	3.3
345.10999	3.2
491.19693	22.8
539.21552	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34241	1.4
55.01875	2.2
55.37204	1.5
59.01390	23.7
60.27671	1.9
62.64418	1.6
67.34492	1.7
71.01044	1.7
71.01392	18.1
73.02953	6.8
83.01389	4.4
85.02937	14.5
89.02435	3.9
89.37371	1.7
95.01372	2.2
101.02441	17.3
113.02441	7.8
133.02931	11.8
134.03639	2.3
147.04489	2.6
149.02435	15.6
150.03223	47.6
164.04749	13.1
165.05562	53.4
166.06380	2.5
180.04211	6.3
181.08733	15.1
195.06628	9.4
250.28242	1.8
314.11572	15.9
315.12280	2.9
329.13974	27.3
343.14075	11.7
428.87839	2.1
491.19308	100.0
539.21393	88.9
539.29626	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	539.2295
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
53.58855	1.8
54.66808	2.0
59.01100	4.7
59.01384	100.0
62.27306	2.2
70.60829	2.8
71.01382	18.3
73.02942	4.7
73.40147	2.4
77.81065	2.3
80.05650	2.6
83.73803	2.3
85.02969	4.0
89.02441	17.0
89.02929	2.1
91.79882	2.3
96.65840	2.3
101.02444	14.2
104.79762	2.3
109.24760	2.3
113.02445	9.4
119.03410	3.2
121.02971	5.6
122.03720	3.2
122.51144	2.4
123.04536	2.8
158.69278	2.9
161.04437	3.5
165.05528	22.2
167.07039	4.5
179.07162	4.3
214.68053	2.9
250.13492	2.5
255.06734	4.0
269.08249	9.3
282.09003	13.9
294.09244	3.6
295.09784	11.5
297.11209	3.1
309.11621	3.8
312.10138	2.5
313.10947	4.1
339.12201	2.4
353.13925	2.6
410.19586	2.6
445.16376	2.9
449.16043	20.9
457.16153	2.4
463.17606	6.1
475.17450	3.2
479.16888	12.5
479.26367	25.3
491.17194	17.3
494.19751	11.1
506.19525	3.2
509.21857	79.4
521.21826	91.9
539.21545	10.3
539.28882	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39304	0.9
59.01150	1.1
59.01387	19.4
61.98837	1.3
63.96815	0.9
66.57088	0.9
71.01381	6.2
72.99311	1.2
73.02951	2.2
75.00880	8.0
85.02924	1.6
89.02431	4.2
89.05623	0.9
101.02446	7.1
105.01939	17.1
107.35062	1.1
109.62309	0.9
113.02466	3.5
115.07659	3.5
137.02486	2.0
163.00421	1.3
179.05603	1.7
190.99799	1.3
317.21170	5.1
389.23163	1.5
405.22839	22.6
407.24356	2.3
421.22141	2.0
423.23892	9.9
430.19135	1.0
433.22321	100.0
434.23074	1.7
447.23550	3.6
451.22983	1.2
477.24539	1.3
479.26425	20.1
495.26019	4.4
539.08954	3.6
539.25507	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	539.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	6.3
59.01388	100.0
71.01392	20.0
80.06073	4.6
85.02941	5.6
89.02451	20.2
101.02439	22.7
113.02410	10.6
161.04622	6.1
182.54404	5.8
194.28986	6.2
317.21140	9.4
333.68634	5.2
479.26566	69.8
539.28363	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	539.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39936	1.8
61.70552	2.5
73.46981	2.3
78.69279	2.0
96.38690	2.7
98.68771	2.2
102.48672	2.3
107.73925	2.6
109.47571	2.3
118.26446	2.2
157.24257	2.4
199.46542	2.4
279.10297	14.2
291.14948	2.3
307.09726	14.2
310.45459	2.5
322.12134	100.0
362.37781	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	539.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50038	0.5
53.33187	0.5
56.06052	0.6
58.00575	0.6
59.01387	13.1
64.32000	0.7
75.98270	0.6
82.65801	0.6
82.74184	0.7
85.02943	0.8
89.02416	0.7
91.89903	0.6
97.37163	0.6
109.03433	0.6
113.02424	2.7
238.74651	0.7
317.21234	100.0
331.22769	2.8
359.22418	3.2
479.26303	3.2
539.27496	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	539.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34611	0.6
51.88765	0.7
52.35482	0.7
56.44913	0.6
58.20471	0.7
59.01388	15.9
69.26988	0.7
71.01384	3.4
77.06943	0.8
89.02431	1.6
101.02442	1.8
101.87431	0.8
113.02428	1.1
119.03464	2.0
124.35273	0.8
149.00868	0.9
184.11412	0.8
185.84175	0.8
193.01427	1.9
194.01781	1.2
255.41383	0.8
268.32910	0.9
271.20605	3.6
299.20154	13.7
317.21222	100.0
359.22336	6.6
359.78409	1.0
539.08905	5.3
539.27350	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	539.2866
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
51.89131	0.6
54.90269	0.8
59.01385	100.0
61.56293	0.7
63.45045	0.7
71.01373	9.8
72.99313	0.8
73.02958	1.5
78.04254	0.7
85.02952	1.4
86.57406	0.9
87.00899	0.8
89.02436	11.8
96.96001	0.7
101.02454	6.9
113.02424	4.6
116.22279	0.7
119.03493	4.1
143.03517	1.1
146.68645	0.7
147.28490	0.6
155.89961	0.7
161.04549	2.9
163.95580	0.7
179.05583	6.2
329.13516	0.9
454.87375	0.8
479.26376	5.9
497.27850	1.6
539.21155	1.5
539.28583	15.9
555.67096	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	539.2864
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
52.95798	1.2
59.01385	100.0
63.65118	1.1
71.01396	12.3
73.02948	4.4
74.22332	1.4
77.87915	1.0
83.01385	1.4
85.02947	6.0
89.02440	8.9
101.02446	11.3
106.74271	1.1
113.02445	8.3
119.03423	2.4
122.30950	1.1
161.04558	2.5
179.05655	1.7
262.66071	1.3
317.21146	4.8
345.00159	1.2
479.26547	42.9
509.22281	1.8
521.21625	5.1
539.28595	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03457	2.6
57.18408	1.0
57.96923	0.9
59.01386	100.0
71.01382	22.6
73.02951	10.1
75.36998	1.3
83.01390	2.1
83.05029	32.4
85.02946	21.1
88.98790	4.1
89.02433	5.5
90.50611	1.0
92.19369	1.4
95.01385	1.5
97.02962	1.2
97.87815	1.0
99.00854	1.8
101.02439	18.4
113.02434	11.6
115.07642	5.0
125.02435	1.5
125.78201	1.1
137.02493	1.3
141.09177	1.4
156.26633	1.2
159.02997	1.7
159.10272	48.7
161.04559	11.7
168.03069	1.2
170.48129	1.3
283.17041	2.0
301.18130	10.3
317.10165	1.9
317.21268	12.1
319.19098	17.3
343.11609	1.3
377.15991	1.3
461.24951	1.4
479.29965	72.3
516.40161	1.2
539.21295	8.8
539.29126	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	539.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.07261	3.3
70.37099	3.0
71.01383	22.8
73.02954	4.1
85.02932	12.1
88.98817	23.1
89.02460	23.7
97.06600	12.7
101.02443	12.7
113.02433	6.2
119.03540	4.3
121.02968	13.7
122.03738	3.7
126.15530	3.6
135.04503	3.2
150.03224	20.5
161.04529	3.8
164.04727	3.6
165.05553	50.8
173.11807	14.9
195.06665	16.1
313.14639	3.8
319.19125	6.3
361.16541	19.5
431.13443	13.2
479.26480	27.5
493.20795	30.1
493.31720	54.7
539.20349	6.0
539.31842	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	539.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13251	1.6
57.03449	2.1
58.84117	1.3
59.01385	51.0
71.01374	3.1
73.02959	2.3
83.05027	36.3
85.02513	1.7
85.02936	12.3
101.02457	2.3
101.33746	1.3
107.41846	1.5
113.02469	2.7
115.07637	6.9
125.06099	1.8
159.10258	57.3
169.92000	1.4
233.15405	1.9
241.70157	1.2
263.43958	1.4
283.16934	3.1
285.15039	1.6
301.18176	12.6
310.62567	1.7
319.19153	18.3
479.30420	100.0
539.21826	2.3
539.31006	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	539.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53630	1.1
59.01380	8.4
71.01404	1.8
85.48992	1.3
89.02435	3.1
101.02448	5.6
112.85499	1.4
161.77220	1.6
170.35847	1.4
222.46082	1.5
253.09254	13.9
264.33420	1.4
303.23291	100.0
334.62042	1.8
389.11246	1.4
442.98398	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	539.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
59.01385	100.0
59.92385	1.6
67.59373	1.3
68.65071	1.3
70.15799	1.1
70.98708	1.2
71.01382	34.9
73.02961	10.0
83.01392	2.5
85.02934	14.9
86.88100	1.4
89.02444	29.5
90.77092	1.3
90.86469	1.4
91.63335	1.4
95.01406	2.5
101.02444	34.3
105.59659	1.3
112.60294	1.4
113.02467	18.0
119.03501	7.1
125.02451	2.1
128.92551	1.3
132.46597	1.3
143.03424	1.9
154.39835	1.4
159.02969	1.7
161.04521	7.9
179.05629	12.7
311.99091	1.3
317.21231	2.8
317.26990	1.8
479.26285	30.7
479.32306	80.2
539.20526	1.9
539.28552	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	540.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90847	0.6
57.72895	0.5
59.01380	2.9
61.98835	100.0
66.03901	0.6
67.89763	0.5
75.27736	0.5
89.02402	0.9
92.19537	0.8
117.80132	0.6
178.11731	0.6
218.59155	0.6
277.87479	0.6
330.82166	0.6
496.14154	0.7
540.20697	0.9
566.29510	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	540.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22077	0.5
54.95965	0.6
57.81879	0.5
59.01389	7.7
61.98836	100.0
68.21769	0.7
89.02452	0.7
94.16901	0.6
101.02451	1.2
128.63667	0.8
154.15131	0.7
179.05650	1.1
287.35092	0.7
358.13931	0.8
408.75848	0.7
480.26941	3.9
540.22247	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	540.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58536	1.4
59.01383	9.7
59.29925	1.4
59.45395	1.4
61.98833	100.0
63.48709	1.4
70.50905	1.5
72.72369	1.4
76.87405	1.5
92.39893	1.5
97.94617	1.6
110.84975	1.6
119.03454	1.8
137.99142	2.0
147.25217	1.5
150.07330	1.7
190.58080	1.5
192.19637	1.5
300.20447	6.2
313.29663	1.5
315.19681	40.6
317.21204	20.6
318.21542	38.0
477.25079	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	541.1144
Annotation	Diphysin
Peak:m/z	Relative Intensity
67.84293	1.1
93.03442	1.1
98.03246	1.1
99.56348	1.1
116.02655	4.5
117.03463	61.2
118.43963	1.1
145.02853	1.3
158.03731	46.6
181.01367	2.0
182.61478	1.1
186.03227	36.9
189.01901	11.1
190.02736	6.4
306.05362	8.8
320.06729	2.1
347.05417	2.5
361.07187	1.9
394.08356	2.1
395.09052	1.2
406.14764	1.2
409.10889	9.8
423.09119	1.1
425.10583	1.2
437.10391	5.5
439.08203	13.3
465.09961	1.3
467.07761	1.3
469.12946	2.1
481.09589	1.9
497.12451	100.0
541.11511	42.1
541.23993	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	541.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88927	1.7
55.36540	1.7
59.01377	4.1
59.87967	1.5
69.02839	1.6
70.46832	1.7
79.92906	1.9
80.05070	3.1
85.34490	2.0
88.98801	4.9
89.02415	2.6
90.48343	2.3
90.92692	1.8
93.50474	1.9
115.03291	2.2
122.06101	10.9
124.04070	8.1
124.07664	8.7
132.04530	12.8
140.07233	2.4
143.07103	3.7
148.04050	41.4
150.05597	63.2
160.04053	2.1
161.04733	3.6
172.52823	2.5
176.03558	16.3
178.04979	2.3
184.06155	4.1
192.03049	17.9
194.04584	100.0
205.13658	2.1
206.04639	2.4
208.06200	15.8
211.06102	2.2
212.10777	7.0
229.13322	2.4
230.11853	12.5
231.11420	9.5
234.03883	2.1
236.05678	15.1
255.11461	24.7
256.09756	2.3
273.12488	14.9
299.10376	4.5
316.19363	2.4
343.09326	2.6
354.08438	6.9
356.09894	13.5
361.10388	9.5
379.11447	49.1
379.24283	2.7
523.15704	15.1
541.16772	98.4
548.57697	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	541.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.21275	1.7
61.98835	1.8
71.01382	14.2
73.02940	4.5
75.00820	1.7
83.01386	2.0
84.21345	1.9
85.02930	6.9
87.04507	12.2
89.02435	10.2
92.20069	2.5
97.06626	1.9
101.02444	10.8
113.02404	7.9
119.03441	2.4
121.02954	2.7
123.04511	4.6
123.27698	2.1
131.47046	2.1
137.02458	3.6
137.09688	8.0
139.07695	2.0
143.03470	1.8
155.10780	38.6
179.05634	3.7
179.10764	8.5
181.08766	8.3
182.05864	43.7
195.10274	2.2
197.08183	50.6
199.09756	12.8
205.04837	1.9
241.10750	2.3
283.11938	4.4
327.19476	2.4
343.11594	18.7
361.23700	7.3
463.30759	3.8
481.31647	22.4
495.26056	2.5
505.17072	11.7
541.22498	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56419	0.9
59.01385	19.9
61.98823	1.8
71.01377	2.3
76.32307	1.2
81.12678	1.0
85.27605	1.1
89.02441	1.4
101.02438	2.2
111.04495	1.3
113.02470	1.6
121.02953	100.0
182.30142	1.2
269.93335	1.3
319.22772	1.4
326.46323	1.4
341.27014	8.6
359.15033	1.6
389.16022	5.3
409.37662	1.2
422.84814	1.2
481.28012	10.3
541.31146	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48586	0.3
60.82586	0.4
61.18857	0.3
67.80537	0.4
81.97844	0.4
98.22761	0.5
121.02952	100.0
175.98592	0.4
188.33334	0.4
291.12296	4.1
333.13535	5.9
349.16330	0.5
432.12027	0.4
471.20352	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	541.2081
Annotation	10-Deacetyl-13-oxobaccatin III
Peak:m/z	Relative Intensity
50.73116	0.5
59.01390	1.2
80.99654	0.6
88.18379	0.5
120.19446	0.6
121.02952	100.0
132.39583	0.6
243.20863	0.5
288.41367	0.6
513.62189	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	541.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
57.19857	0.6
59.01390	26.2
60.54629	0.6
71.01389	7.4
73.02966	1.3
73.19292	0.6
85.02953	4.0
89.02456	3.7
101.02460	8.6
113.02425	3.3
119.03502	1.2
121.02959	100.0
139.04002	0.9
161.04541	1.7
203.10757	1.0
271.14096	0.7
319.22693	0.9
389.16058	5.5
419.16916	1.4
439.83725	1.0
463.27081	3.0
481.28033	27.8
541.29938	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	541.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47861	2.9
58.89382	2.6
59.01390	34.4
68.54321	3.0
71.01369	2.9
77.64867	3.0
89.02454	5.8
92.20031	3.5
92.24448	3.2
101.02438	2.9
112.97676	3.0
122.03789	4.0
149.02467	20.4
150.03226	76.0
164.04773	6.3
165.05583	100.0
180.04333	7.2
195.06610	20.4
208.07426	3.1
208.22530	3.2
221.15192	3.3
297.11325	14.0
300.10205	25.6
311.09229	5.5
312.09985	16.5
315.12408	62.6
327.12448	16.0
341.10178	4.2
345.13342	5.7
351.07639	3.3
417.13522	4.5
419.14841	3.3
452.61710	3.0
463.17618	41.9
493.18829	83.8
531.90894	3.3
541.21088	65.1
541.28949	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	541.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47861	2.9
58.89382	2.6
59.01390	34.4
68.54321	3.0
71.01369	2.9
77.64867	3.0
89.02454	5.8
92.20031	3.5
92.24448	3.2
101.02438	2.9
112.97676	3.0
122.03789	4.0
149.02467	20.4
150.03226	76.0
164.04773	6.3
165.05583	100.0
180.04333	7.2
195.06610	20.4
208.07426	3.1
208.22530	3.2
221.15192	3.3
297.11325	14.0
300.10205	25.6
311.09229	5.5
312.09985	16.5
315.12408	62.6
327.12448	16.0
341.10178	4.2
345.13342	5.7
351.07639	3.3
417.13522	4.5
419.14841	3.3
452.61710	3.0
463.17618	41.9
493.18829	83.8
531.90894	3.3
541.21088	65.1
541.28949	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	541.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66583	1.0
59.01141	1.4
59.01392	18.8
60.99316	13.4
68.45872	0.8
71.01392	1.3
71.14740	0.8
71.84863	0.8
87.00880	1.3
88.00393	1.1
88.98804	100.0
89.02444	20.4
92.19375	2.1
101.02470	1.2
106.91048	0.9
112.79234	0.8
112.87034	0.9
113.02464	1.0
122.03794	1.4
123.04436	1.1
150.03270	1.2
165.05598	1.9
167.07181	7.4
172.77455	1.0
269.40717	0.9
481.27930	5.7
511.19617	3.7
541.22034	1.0
541.29932	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	541.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78189	1.2
59.01103	3.1
59.01389	90.0
61.98838	1.5
62.72889	1.2
64.01850	1.3
67.96167	1.5
71.01384	22.4
71.62371	1.5
73.02926	1.3
85.02954	2.6
85.14041	1.3
88.98804	3.2
89.02443	26.1
95.01369	1.9
101.02457	15.7
113.02444	9.1
119.03492	7.9
137.09727	42.0
155.10793	38.6
160.54958	1.5
161.04549	5.6
164.04785	10.7
165.05559	3.0
173.19420	1.6
179.05757	2.7
179.07065	14.7
197.08205	1.9
199.09766	12.3
207.23077	1.5
223.09752	7.5
226.04955	1.5
276.14682	1.5
333.79092	1.5
359.13513	2.3
361.15057	1.6
387.06149	1.5
410.42276	1.6
481.28180	26.9
541.22986	100.0
541.30383	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	541.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49873	1.4
55.40104	1.3
59.01377	2.2
60.49295	1.3
69.86648	1.4
83.01385	2.9
93.03458	5.9
95.05024	9.3
97.02954	8.9
114.50516	1.4
119.05006	2.0
121.02924	2.9
133.02963	2.2
137.02470	18.8
139.04012	2.8
140.24419	1.6
141.09175	1.9
149.02441	16.3
160.11438	1.6
165.01904	3.1
166.02728	3.3
169.06544	7.5
171.04474	5.5
185.06015	3.0
187.07655	12.0
189.05547	5.6
205.08551	2.3
211.07660	15.4
213.05539	2.8
223.09160	1.5
227.07089	6.2
229.08617	6.6
240.04382	17.8
255.06641	56.0
273.07703	41.8
285.20703	15.0
303.23297	10.6
319.22787	23.5
321.24240	16.1
323.22290	9.7
365.23123	3.5
389.23151	2.6
407.24414	100.0
541.28235	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2812
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
56.76126	1.3
58.78086	1.6
59.01387	6.4
83.01419	2.5
93.03455	6.8
93.69954	1.3
95.05025	8.9
97.02953	9.7
97.06548	1.6
97.15392	1.4
119.05037	2.7
121.02921	2.6
133.02982	1.9
137.02448	22.6
139.04053	5.1
141.09181	1.5
145.06636	1.7
149.02469	12.7
162.03197	1.7
165.01964	2.4
169.06584	6.2
185.05972	2.8
187.07614	9.5
189.05605	7.4
195.69102	1.5
211.07707	20.1
213.05626	3.3
227.07127	7.2
229.08701	6.3
240.04257	11.7
255.06656	62.7
273.07684	39.0
285.20731	13.7
303.23239	8.8
319.22800	25.4
321.24402	17.7
323.22290	10.6
365.23230	5.7
407.19009	3.4
407.24420	100.0
432.68198	1.6
478.42770	1.7
541.28192	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01373	4.4
61.98841	1.0
77.37967	0.8
81.03458	1.4
83.01393	1.3
93.03434	5.9
95.05022	7.2
97.02952	7.9
97.06575	1.3
101.02451	0.8
109.02961	1.1
110.67908	0.7
113.09764	0.8
119.05013	1.4
121.02924	2.0
123.04508	1.7
125.02446	2.9
133.02957	1.8
135.04535	1.6
137.02440	14.3
139.04005	4.9
143.04919	0.9
145.06590	1.2
149.02432	8.2
161.02432	1.9
165.01955	1.6
166.02763	0.9
169.06561	6.9
171.04477	1.5
185.06052	4.8
187.07651	10.1
189.05557	2.0
205.08696	3.2
207.13820	1.4
211.07654	12.6
212.78848	0.9
213.05617	1.9
227.07146	8.3
229.08618	4.9
240.04280	14.3
255.06636	50.0
267.19571	1.2
273.07697	38.5
285.20715	12.7
303.23251	10.4
319.22562	1.2
321.24368	18.5
323.22281	12.8
359.99844	1.0
365.23279	5.4
389.22766	1.2
407.24408	100.0
481.27844	1.5
497.28845	1.4
541.28119	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2937
Annotation	N-Deacetyllappaconitine
Peak:m/z	Relative Intensity
53.54427	5.3
59.01384	79.1
61.98832	5.8
68.49623	5.6
71.01382	23.1
73.02947	12.9
74.88806	6.1
76.56001	5.4
81.66360	5.9
89.02457	7.1
101.02428	27.7
113.02422	12.5
121.02915	24.6
128.38306	6.8
154.48248	6.5
162.62971	6.1
170.53062	5.7
195.03059	6.8
217.31964	6.2
319.22702	9.4
438.97849	6.9
475.82495	6.6
479.17850	8.0
481.27905	70.3
541.29895	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	541.302
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
50.12429	0.8
53.82286	0.9
59.01384	100.0
59.62637	1.0
60.61214	0.8
71.01382	10.8
72.23486	0.8
85.02944	1.0
89.02444	15.6
101.02432	6.0
113.02420	4.8
119.03477	5.3
119.68285	1.0
138.83398	0.9
143.03519	1.3
161.04590	1.0
179.05609	10.9
205.37048	0.9
238.00990	0.9
243.12154	1.3
430.11484	1.0
481.27896	1.1
541.23541	6.6
541.30804	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	541.3185
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
52.93291	2.6
59.01382	62.4
61.98843	3.6
66.90046	2.6
71.01381	17.7
73.02916	3.2
75.00870	3.0
85.02912	4.3
89.02438	6.5
89.86868	2.8
101.02437	17.5
113.02428	6.1
121.02956	11.3
239.05301	3.9
257.20572	3.5
319.22510	3.5
461.83826	2.9
481.27924	61.0
541.22675	4.9
541.31641	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	541.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93291	2.6
59.01382	62.4
61.98843	3.6
66.90046	2.6
71.01381	17.7
73.02916	3.2
75.00870	3.0
85.02912	4.3
89.02438	6.5
89.86868	2.8
101.02437	17.5
113.02428	6.1
121.02956	11.3
239.05301	3.9
257.20572	3.5
319.22510	3.5
461.83826	2.9
481.27924	61.0
541.22675	4.9
541.31641	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	541.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.41673	0.7
71.01386	6.9
73.02943	3.9
76.40646	0.8
83.01392	1.1
85.02942	3.3
86.37783	0.8
88.75376	0.8
89.02438	9.2
95.01336	0.8
101.02426	5.9
107.62907	0.7
110.63049	0.7
113.02444	4.2
119.03506	3.6
123.04531	4.4
130.95259	0.8
137.09689	6.2
153.05568	7.5
155.10791	30.1
161.04533	1.6
164.04811	1.2
165.05528	1.2
167.07127	1.3
169.12404	0.9
179.05615	3.2
179.07024	0.8
181.08662	4.3
183.10260	1.2
199.09837	5.9
203.10707	0.7
235.88609	0.8
241.10716	1.5
313.11139	0.8
381.19128	1.8
481.27917	12.4
541.22760	41.6
541.33368	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82393	0.9
59.01385	100.0
63.72278	0.8
71.01389	8.5
73.02944	2.0
81.91075	1.2
85.02938	7.9
88.98775	1.8
89.02426	6.2
92.20076	1.8
94.82542	1.0
96.95978	3.9
99.08192	1.4
101.02434	5.9
113.02408	2.3
119.03555	1.4
121.02923	2.2
123.04510	1.1
135.04590	1.2
143.07117	2.1
143.10789	7.3
155.10730	2.0
165.05525	1.2
167.07121	8.4
167.10788	2.0
169.04779	1.0
179.05638	1.2
179.07121	2.0
181.08687	2.4
207.13737	1.1
211.15190	1.0
217.10728	1.9
221.08174	5.7
252.98602	1.1
301.18201	2.2
319.19083	4.9
379.16043	1.3
389.19595	1.9
445.96802	1.1
463.30701	15.2
481.27829	9.2
481.32578	4.0
541.24268	7.3
541.34692	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	541.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42548	0.6
50.75066	0.7
52.77218	0.7
54.13787	0.7
56.14426	0.7
57.03456	0.8
57.46156	0.7
58.21701	0.7
59.01109	1.7
59.01385	35.3
69.25679	0.7
70.59120	0.8
71.01381	0.8
71.05019	1.4
71.11395	0.9
73.02934	0.9
79.46215	0.9
83.05027	29.0
85.94394	0.8
97.06579	1.1
98.90459	1.0
105.71303	0.9
115.07620	12.0
129.25711	0.8
146.83466	0.9
150.03204	1.2
159.10260	33.2
165.05504	1.4
177.17981	0.8
269.15497	1.5
285.18640	3.8
295.16925	3.4
311.20090	6.7
315.12704	1.1
321.20737	2.1
329.21085	1.5
335.20264	3.5
347.22394	12.3
351.23401	7.1
367.22617	1.1
369.24426	4.3
387.25357	13.9
440.42166	0.9
454.73581	0.9
463.30460	1.7
465.28821	1.1
481.31738	100.0
541.20929	1.5
541.33856	10.9
552.56818	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	542.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16172	0.7
83.52255	0.7
91.05516	1.1
92.85579	0.8
93.15824	0.7
108.47444	0.7
120.04533	8.1
132.04491	0.8
146.06117	21.1
148.07684	100.0
150.05545	9.3
162.05643	3.7
179.20975	1.0
192.06682	19.6
236.05681	4.1
313.30652	1.0
529.82178	0.9
555.04358	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	542.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03873	0.5
59.01382	3.6
61.87640	0.5
61.98836	100.0
63.01091	0.5
63.09278	0.5
68.00540	0.5
68.32341	0.5
68.78048	0.5
83.60307	0.6
94.89252	0.5
119.70522	0.7
120.31061	0.6
145.43250	0.5
165.05466	0.9
166.05858	0.6
196.06808	0.6
256.24313	0.6
482.28851	0.8
542.30328	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	542.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71792	0.6
59.01384	23.3
60.01697	1.2
61.98837	100.0
63.83006	0.6
63.85647	0.6
65.43158	0.6
67.07042	0.6
71.01376	3.3
73.02940	0.7
74.90221	0.5
86.21014	0.6
89.02432	2.9
92.20033	1.1
98.66543	0.6
101.02435	2.9
113.02479	1.1
134.79958	0.6
179.05692	0.7
242.29018	0.6
266.90753	0.7
272.14133	0.6
297.26532	0.8
392.39755	0.7
482.28220	6.0
542.26190	3.1
542.30133	5.3
552.66931	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	542.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04435	0.5
59.01385	6.1
60.53002	0.4
61.98835	100.0
74.16426	0.5
74.62944	0.4
83.05025	3.9
84.05357	1.0
90.95396	0.5
92.19993	0.6
93.42140	0.6
96.92899	0.5
118.00326	0.4
129.39519	0.5
135.73997	0.5
159.10268	3.3
160.10637	2.7
161.10875	0.7
236.56050	0.5
301.18149	0.5
302.18253	0.6
321.19809	0.8
385.22217	0.5
480.30634	1.1
482.31061	11.1
542.23645	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	543.1301
Annotation	7,3',4'-Trihydroxyflavan-(3->O->4,4->O->3)-7,3',4'-trihydroxyflavan
Peak:m/z	Relative Intensity
51.35493	0.5
59.01374	0.9
62.06649	0.7
66.87482	0.6
142.02609	0.7
298.13147	0.7
399.05145	1.0
413.06909	5.5
423.04691	0.9
426.98868	1.2
427.04660	31.8
428.05191	1.2
435.05182	1.3
437.03281	0.8
441.06003	6.9
442.06924	19.0
443.07669	1.4
445.15710	0.8
452.05698	1.4
453.06137	7.7
455.04074	24.4
457.09225	1.1
467.07971	0.8
470.06494	28.6
485.09036	15.0
485.15610	1.0
499.97852	0.7
500.11124	0.9
528.10345	1.0
543.13000	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	543.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09991	1.1
63.87112	1.0
68.99811	11.3
71.05032	1.2
81.08510	1.0
84.02142	2.1
85.02945	24.5
86.39045	1.1
108.37582	1.1
135.04555	1.5
143.03494	100.0
161.02452	13.9
167.54245	1.1
173.45012	1.0
179.03474	2.4
187.02492	34.4
187.06097	2.0
222.81302	1.3
244.91119	1.1
306.42261	1.0
355.10391	18.1
413.75781	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	543.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
73.85936	4.6
77.87004	4.0
83.53189	3.9
89.02457	5.1
91.33045	3.9
99.04485	4.1
100.00506	3.7
100.35098	3.9
113.74928	3.9
125.02431	4.1
133.06638	5.8
151.07730	5.0
165.09251	21.1
174.39685	4.1
179.05673	4.5
193.08780	13.0
216.47441	4.7
223.73164	4.4
229.20885	4.4
270.93161	4.0
311.09265	6.1
312.09998	29.6
327.12399	33.6
363.18057	6.8
381.19257	47.2
423.20294	17.0
423.79196	4.3
477.17126	5.1
483.22427	23.2
543.16504	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79232	2.7
59.01384	36.0
61.98829	10.2
63.39314	2.3
71.01381	6.7
73.02948	3.0
89.02441	16.0
93.06268	2.6
97.00301	2.6
101.02435	14.4
108.02185	3.0
113.02407	5.2
117.39004	2.7
119.03495	11.0
121.02989	3.1
123.04477	3.1
125.02440	4.8
134.03737	14.3
135.04521	5.6
137.02466	3.8
145.02927	4.3
146.03729	16.6
147.04535	6.0
149.06087	23.1
150.03247	3.6
155.10843	20.0
161.06075	13.6
163.03998	17.9
164.01140	4.5
164.04756	12.5
165.01959	2.9
165.05562	14.9
165.09206	5.7
173.04622	3.2
179.05608	19.2
179.07143	70.5
199.09741	12.4
238.32291	2.6
241.10762	3.5
316.09515	6.6
329.12363	13.0
331.11868	13.6
341.67743	2.5
345.17194	12.7
347.14420	3.2
361.16522	3.5
377.16116	2.7
439.02487	2.7
477.17532	4.6
497.27673	3.5
507.18491	100.0
523.60840	3.1
525.19824	18.4
543.22290	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	543.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01077	0.3
51.95544	0.4
53.84964	0.4
56.05857	0.4
58.32756	0.4
63.15845	0.4
69.03448	2.4
70.60151	0.5
79.05529	0.5
81.03456	2.1
92.19467	0.9
93.33327	0.5
95.01373	0.5
95.05013	2.9
97.02939	12.1
109.02960	3.4
111.04517	3.4
121.02921	0.6
123.04519	59.4
135.04514	0.9
151.03938	0.6
153.05566	100.0
167.03392	0.8
170.19846	0.5
180.76387	0.4
197.04562	52.6
231.59225	0.5
235.05347	0.4
343.91684	0.5
429.14261	0.5
484.18027	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	543.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23135	0.9
50.75174	0.8
53.31944	0.9
59.01386	2.3
60.84175	0.9
90.30912	0.9
121.02953	100.0
140.86041	0.8
190.66342	0.9
220.94563	1.0
361.16614	1.4
391.17618	11.9
528.10059	1.0
543.22437	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	543.2238
Annotation	CHEBI:66196
Peak:m/z	Relative Intensity
59.01384	16.7
61.98832	1.1
71.01385	2.3
85.02985	0.9
87.75580	0.5
89.02454	1.8
97.02969	0.5
101.02444	1.1
113.02428	0.7
118.54079	0.5
121.02953	100.0
125.13604	0.5
159.38681	0.5
159.70566	0.5
161.04553	0.7
195.88837	0.5
213.35228	0.5
268.89969	0.5
361.16571	0.7
391.17899	2.1
483.20526	2.5
483.29404	6.0
543.22290	7.6
543.31427	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	543.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.2
82.81370	0.6
83.41426	0.6
92.19300	1.3
121.02953	100.0
143.78018	0.7
186.19958	0.7
189.09254	1.4
207.10231	2.5
231.10222	2.3
270.29828	0.8
273.11334	1.0
285.11212	0.7
303.12436	1.4
316.00507	0.6
317.13867	1.0
321.13443	2.9
363.14520	21.4
421.18616	1.1
543.22388	10.7
550.28748	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	543.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41608	0.4
58.06229	0.3
59.01107	0.5
59.01390	13.4
60.01717	0.4
61.98838	4.2
62.58392	0.4
70.17031	0.4
71.01378	0.7
85.02960	0.6
89.02444	2.2
92.20166	0.9
94.98068	0.9
101.02433	0.6
113.02458	0.8
119.03463	0.4
121.02956	100.0
139.04063	0.4
179.05653	0.5
343.16025	0.4
361.16516	1.8
391.17709	8.5
453.86145	0.4
483.29614	3.2
497.27100	0.5
543.22418	1.6
543.31036	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	543.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60874	0.5
59.01388	7.3
60.63988	0.4
61.69904	0.5
61.98825	1.0
73.02974	0.5
82.16008	0.5
89.02441	0.8
92.19415	0.6
122.03727	4.8
125.88522	0.5
129.20518	0.5
137.53380	0.6
150.03226	3.4
165.05566	5.3
167.07138	100.0
179.07091	0.9
189.26134	0.7
195.06615	2.2
218.88235	0.5
327.11972	0.6
408.69907	0.6
483.29871	0.8
490.17780	0.5
497.27884	1.2
543.21582	1.2
543.29877	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	543.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	2.9
59.01384	62.4
61.03763	1.9
61.98829	8.5
66.75417	1.6
71.01373	9.4
74.14414	2.1
85.02920	2.6
89.02441	4.0
101.02428	8.0
113.02463	4.5
119.03534	2.4
121.02953	100.0
136.46062	1.9
153.05534	2.7
161.04559	2.9
194.82719	2.0
210.53217	2.1
223.16969	2.2
227.10846	2.5
235.07472	1.9
241.12265	2.4
305.13986	14.1
354.18024	2.1
361.16641	4.2
365.16147	4.4
391.17630	9.8
425.17603	2.1
483.21872	22.6
483.29468	23.3
507.22781	2.2
520.06793	1.9
543.31860	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	543.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	2.1
54.89576	2.4
59.01385	100.0
61.55782	1.9
61.98847	3.2
71.01379	5.4
73.02917	2.6
82.14799	2.4
83.05023	12.5
85.02959	3.8
97.02959	4.8
107.05045	3.4
109.02930	2.7
111.04496	4.9
116.92869	31.1
119.04981	3.7
121.06596	8.9
123.04527	4.5
133.06598	5.6
135.04468	9.4
137.06096	22.9
149.06049	12.9
149.09723	3.0
153.05618	4.7
165.05548	5.5
165.09216	19.7
167.07117	5.5
177.09192	3.3
179.07158	4.0
195.10275	5.3
203.56027	2.7
230.13188	3.2
231.13857	4.2
271.13501	2.6
278.99420	2.5
285.89395	2.8
297.14917	4.9
305.13794	4.9
315.15964	5.8
333.17181	19.9
337.16504	9.8
363.18210	37.8
375.18161	4.3
381.19214	21.4
423.20425	23.1
441.21600	4.9
483.22427	20.2
483.28516	4.3
497.27292	3.7
498.23422	2.5
543.29547	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	543.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.4
60.56610	0.4
64.77759	0.4
64.93993	0.5
77.71389	0.5
88.82265	0.5
119.05016	69.7
125.06967	0.5
145.02957	2.2
163.04007	100.0
187.24260	0.5
292.39249	0.5
350.90961	0.6
415.25006	0.6
469.55133	0.5
507.29645	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27522	1.7
59.01387	100.0
61.98843	2.3
71.01384	48.7
73.02956	1.9
85.02940	3.8
87.00869	2.3
89.02444	87.4
95.01409	2.0
99.04525	3.6
101.02451	37.4
113.02468	20.2
119.03493	31.9
131.03479	2.0
137.09712	2.4
143.03505	4.1
149.06180	2.3
155.10727	2.7
161.04549	12.0
161.25777	2.2
165.05569	1.8
165.09203	27.1
167.07164	2.5
179.05614	62.7
179.07144	3.3
180.95790	1.8
181.08748	2.7
210.58147	1.9
210.60225	2.1
305.02939	1.8
337.16620	3.7
345.17279	2.3
381.19080	2.6
388.66245	1.8
441.21292	10.9
483.22079	2.7
497.27634	21.8
543.20746	4.1
543.23505	5.6
543.28253	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	543.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54943	1.5
57.03452	4.4
58.57320	1.6
74.48038	2.1
83.01399	6.5
90.79054	1.8
97.02909	2.6
97.99850	1.7
100.89493	1.6
109.02942	12.1
119.18369	1.7
121.95256	1.9
123.04467	2.6
125.02441	100.0
130.61534	1.7
137.02440	73.0
139.04056	1.6
145.02962	23.0
148.12366	1.7
149.02425	12.2
150.03191	4.3
151.04031	4.1
159.04491	8.7
161.06085	9.6
162.03098	1.8
165.01944	2.5
179.03513	9.2
185.06068	10.4
187.04030	10.0
188.04912	2.3
201.05525	2.5
203.07175	26.8
205.05035	8.5
209.06161	2.4
227.07053	6.8
245.08255	25.4
253.05064	8.9
271.06116	50.7
271.22879	12.6
289.07184	83.7
307.26532	4.4
321.43307	2.0
393.26416	12.4
405.26169	2.5
438.59763	2.1
499.30573	28.7
543.29553	22.7
543.37701	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	543.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10753	0.9
50.56776	0.9
59.01384	1.8
61.56421	1.0
61.98844	2.1
63.68481	1.1
93.03445	6.3
94.89948	1.0
95.05016	6.7
97.02940	6.5
104.62541	1.1
119.04988	1.4
121.02956	5.3
125.02434	1.3
130.05226	1.1
132.51355	1.2
133.02960	1.3
135.04474	2.3
137.02448	16.8
139.03984	6.2
143.10744	1.6
145.06612	1.5
149.02409	12.0
154.48096	1.3
161.02496	1.4
165.01981	1.8
169.06580	5.9
174.77701	1.1
185.06036	5.8
187.07684	8.8
189.05559	2.6
205.08659	2.7
207.35623	1.3
211.07658	17.6
227.07253	8.1
229.08693	4.7
240.04280	16.6
255.06624	57.8
273.07706	39.3
287.22308	16.2
288.36554	1.1
307.18954	1.7
323.25925	30.8
325.23886	9.1
367.24860	4.8
391.25067	1.8
409.25974	100.0
446.96078	1.3
504.58786	1.2
543.21960	2.2
543.29773	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2965
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
52.19785	0.4
52.27699	0.4
55.38836	0.4
59.01376	1.1
71.00473	0.4
74.80482	0.4
92.19498	0.6
94.25855	0.4
103.85371	0.4
108.56149	0.5
121.02950	7.4
123.04523	100.0
126.69315	0.5
171.82507	0.6
294.08218	0.6
309.38876	0.4
313.23920	0.5
363.14377	0.5
408.63116	0.5
483.27579	17.4
501.28714	2.1
543.29700	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3098
Annotation	Prorepensin
Peak:m/z	Relative Intensity
79.51248	2.0
105.54078	2.3
137.47568	2.0
457.74979	2.1
543.30994	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	543.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35010	0.9
58.99289	0.8
59.01386	100.0
61.89503	1.0
61.98834	6.6
63.34615	0.9
71.01371	13.4
73.02945	4.2
83.01372	1.1
85.02946	6.5
88.27612	1.1
89.02435	1.8
99.00891	1.5
101.02440	12.6
113.02438	5.1
115.05293	1.0
121.02970	1.9
159.03014	0.9
161.04543	2.1
161.61969	1.0
163.75829	0.9
173.31363	1.0
195.70380	1.0
407.24426	4.0
425.25516	9.8
483.29630	30.5
543.31891	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	543.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26300	0.7
54.79853	0.7
55.89181	0.6
59.01386	100.0
61.07801	0.7
61.98819	0.9
71.01385	9.8
73.02946	5.1
82.26965	0.7
83.01424	1.0
85.02940	4.4
89.02477	0.8
92.19456	1.5
99.00903	1.0
101.02442	8.7
113.02424	4.4
121.02955	3.7
161.04509	3.5
182.88116	0.7
246.11833	0.8
403.49805	1.0
407.24429	0.9
425.25238	6.0
483.29706	30.2
543.23486	0.9
543.31775	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.91784	0.9
61.98843	13.4
66.77533	0.9
71.01385	13.8
73.02947	4.1
85.02950	4.0
88.49709	0.9
89.02455	9.5
89.33726	1.0
94.54283	1.0
94.89260	0.9
97.02931	1.2
101.02460	14.1
113.02455	9.4
119.03519	1.8
121.02957	45.8
148.95334	1.1
161.04567	8.5
172.03088	1.0
217.87241	1.1
217.89171	1.2
280.31812	1.1
321.24048	1.4
361.16693	2.0
421.19012	1.3
425.25470	9.1
477.51230	1.2
483.20596	4.5
483.29517	31.8
543.23383	1.9
543.31787	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27115	0.8
59.01386	100.0
61.98836	16.2
67.54255	0.8
67.95238	1.0
71.01383	11.3
73.02930	1.2
79.75343	0.9
85.02960	3.5
85.30461	0.9
87.00838	0.9
89.02441	11.9
92.07085	0.8
95.01349	0.9
97.02897	0.9
101.02449	9.4
104.72707	0.9
113.02432	7.2
115.58752	1.0
119.03489	1.7
121.02956	54.6
149.99396	1.0
161.04535	10.7
179.05515	1.2
208.91277	0.9
321.24408	3.8
361.16708	1.6
421.18799	1.3
425.25778	7.8
480.64481	1.0
483.20544	4.7
483.29587	34.0
543.22888	3.2
543.31573	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	543.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17440	0.7
56.19415	0.6
58.41540	0.7
59.01386	53.6
59.89065	0.8
61.98847	6.3
64.06562	0.7
71.01389	7.3
73.02946	1.4
85.02955	1.5
86.42162	0.8
89.01873	0.7
89.02435	3.5
97.73317	0.7
101.02455	6.6
103.54733	0.7
113.02464	1.9
117.68629	0.8
121.02951	100.0
140.34975	0.7
161.04507	1.2
165.92422	0.9
199.86919	0.8
266.38882	0.9
343.15417	1.6
388.44693	0.8
416.46008	1.0
421.18890	5.7
483.29440	23.7
543.31769	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	543.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	56.5
63.55376	1.3
67.27084	1.2
70.92119	1.4
106.80499	1.4
107.19299	1.3
151.11282	6.2
166.36845	1.3
169.12334	36.7
171.10265	44.0
237.47133	1.4
255.23309	45.2
273.02054	1.4
305.15942	5.5
353.54932	1.4
543.39081	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	544.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76637	0.4
76.18717	0.4
78.95905	23.0
95.53475	0.5
96.96953	3.9
150.97987	0.8
152.99583	100.0
171.00604	4.5
232.85110	0.5
303.23450	0.6
315.43719	0.5
457.23663	20.9
544.26788	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	544.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73218	0.4
56.55112	0.4
65.82846	0.4
78.95907	22.2
92.20086	1.2
96.96969	3.7
120.88811	0.4
150.98032	0.8
152.99586	100.0
160.71368	0.4
171.00641	3.2
203.24475	0.5
256.88208	0.4
274.77219	0.4
303.23422	0.6
396.68256	0.6
457.23679	23.6
473.49445	0.5
544.26874	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	545.1461
Annotation	Afzelechin-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
50.50818	2.8
56.73668	3.0
59.01396	3.0
67.85833	2.7
75.05783	3.1
81.03484	4.4
92.19413	12.9
93.03447	4.7
97.02963	30.8
110.46329	3.2
123.04520	15.7
125.02443	66.4
133.02971	12.3
135.04532	5.3
137.02463	27.2
139.04007	7.5
149.02420	5.5
149.06310	3.3
151.03931	5.4
163.00368	19.5
164.01147	40.8
165.01915	18.0
166.02684	3.6
177.01898	24.9
178.02603	4.2
179.03528	4.7
187.07657	14.6
189.05582	20.9
205.01459	4.9
205.08693	16.0
229.08687	15.4
231.06641	3.7
255.06461	4.0
257.04419	3.3
271.06049	29.2
273.07706	100.0
284.43002	3.8
312.06418	11.4
315.57489	3.3
391.08362	4.2
409.09308	7.3
419.11435	26.7
460.92679	3.8
518.95538	3.3
545.14868	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80068	2.1
57.13757	2.7
59.01384	3.9
59.90645	2.4
61.98825	13.5
64.07318	2.6
75.83631	2.3
84.58245	3.0
89.02435	3.0
125.02440	93.0
135.76057	2.5
151.00339	10.8
151.04024	3.9
153.01918	13.2
175.03947	21.7
177.01906	23.7
178.99850	11.6
189.05405	2.8
199.04033	5.2
207.45741	2.6
217.05055	13.9
241.04977	6.3
259.06113	6.3
275.05569	3.1
285.04074	75.6
303.05109	100.0
495.80579	2.8
545.09222	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	545.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41797	0.4
58.62501	0.5
59.01389	0.8
61.98829	6.6
73.39623	0.5
74.57244	0.5
78.95907	6.5
79.95747	2.1
96.96011	100.0
96.96929	15.5
114.23637	0.5
121.02962	2.8
122.03275	1.0
125.53921	0.4
149.56850	0.4
166.36841	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	545.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75700	7.1
59.01382	37.2
61.98826	37.1
71.01364	9.1
83.22311	6.3
84.51093	7.1
92.19997	8.5
94.98103	6.8
96.96043	10.4
98.81149	7.0
101.02448	7.4
113.02376	9.8
115.58987	6.6
121.02956	100.0
136.05916	7.6
140.57869	6.9
147.09137	7.4
165.05605	9.0
176.02451	7.3
181.08699	11.5
214.98636	8.0
263.92310	6.9
329.17435	12.7
347.18585	83.8
445.89944	7.3
509.23871	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30468	9.6
59.01381	68.7
71.01376	11.7
73.02966	14.1
92.19405	35.7
93.03452	25.3
101.02436	13.5
137.02463	13.0
173.04521	100.0
271.16547	12.6
326.17587	12.2
340.67691	13.1
442.57611	13.4
460.68698	12.1
499.29080	65.5
509.24380	13.0
545.21027	15.3
545.29633	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98842	2.2
68.23427	0.8
71.01380	4.1
74.17191	0.9
74.96851	0.9
101.02429	1.0
125.02458	1.3
137.02415	1.3
151.07643	1.0
155.83719	1.0
164.01137	0.9
259.58929	1.0
273.08231	1.3
289.07123	1.5
299.16650	2.0
329.17606	28.9
347.18661	100.0
509.23944	68.1
545.25800	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	545.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
61.98830	24.7
65.27415	2.7
66.54460	2.3
79.84921	2.4
81.04628	2.6
106.57060	2.7
121.02953	100.0
122.52937	2.8
205.68466	2.9
238.62268	2.9
243.90631	2.6
303.78519	2.8
528.65759	3.7
545.21887	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	545.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.3
59.01384	21.9
62.29924	1.0
71.01392	19.1
82.47228	1.2
84.37672	0.8
85.02955	2.2
89.02448	30.8
92.19570	1.2
101.02421	1.7
113.02441	2.0
113.73419	0.9
121.10234	4.7
131.03514	1.0
137.06065	2.0
139.11273	2.4
144.09969	1.1
153.05617	1.8
159.08180	1.0
165.04102	0.9
165.05544	2.2
174.31734	0.9
183.06628	1.4
199.07635	11.4
201.09227	4.3
205.30130	0.9
207.08112	1.0
210.06987	1.0
217.42961	0.9
219.85640	0.8
220.37775	1.1
225.09200	29.1
231.10228	1.4
240.08051	1.8
243.10252	2.0
255.10236	7.5
273.11374	1.4
311.76187	1.0
386.79407	1.0
487.18164	1.6
517.22925	4.1
545.22406	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	545.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85730	0.2
59.01386	0.4
60.54068	0.3
61.98824	0.4
73.02971	0.3
90.19772	0.3
112.38197	0.3
121.02953	1.6
122.03751	3.5
134.23053	0.3
137.06105	0.5
167.07132	100.0
189.12883	2.9
233.11740	2.1
311.11377	0.4
329.12534	0.5
347.19247	0.5
377.15997	1.4
417.09543	0.3
545.23627	2.8
545.31134	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	545.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
59.35310	0.5
70.26786	0.5
76.75671	0.5
88.43480	0.5
121.02952	100.0
151.01877	0.5
167.07117	2.5
269.11905	0.7
275.88196	0.6
305.14020	5.0
545.24396	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	545.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51932	0.3
90.95432	0.4
111.31904	0.4
113.56965	0.4
116.55584	0.4
121.02953	100.0
181.29718	0.4
191.45398	0.4
246.90378	0.3
259.02490	0.9
259.05658	0.4
271.93735	0.4
289.24094	0.5
545.07178	3.1
545.24066	0.5
545.31055	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	545.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.15125	0.6
61.66284	0.6
61.98833	6.8
95.80637	0.6
95.96458	0.7
97.04806	0.6
103.83075	0.6
119.59666	0.7
121.02955	100.0
122.03252	4.7
133.02382	0.8
146.25793	0.6
150.85901	0.7
173.99973	0.6
209.09837	0.7
246.64227	0.7
295.20807	0.7
297.21750	0.7
305.14151	5.3
365.16208	1.3
448.09534	0.7
545.32275	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	545.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20850	0.7
55.67965	0.6
55.93215	0.7
59.01385	16.5
59.49749	0.7
61.98841	11.2
71.01368	1.5
121.02954	100.0
126.08581	0.8
214.05255	0.9
230.91087	1.0
244.61671	0.8
288.27283	0.8
305.13754	5.5
324.75592	0.9
389.93555	0.9
409.13220	1.0
485.30707	1.4
545.11542	0.9
545.24091	7.7
545.31268	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	545.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28923	1.6
59.01382	42.1
68.80724	1.8
71.01385	27.5
75.79876	1.9
76.38373	1.7
85.02959	2.6
85.90248	1.7
89.02443	47.7
101.02429	26.0
113.02455	16.0
119.03484	16.3
121.23649	1.8
123.05730	1.9
137.61795	2.2
201.48592	2.0
249.77203	2.1
262.82224	2.4
279.10876	100.0
381.49817	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	545.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32352	0.6
56.53643	0.6
58.88169	0.6
59.01382	26.1
71.01371	1.0
89.02445	0.8
101.02416	1.0
151.03957	0.8
181.08705	100.0
201.11336	35.4
201.12808	0.6
312.44455	0.7
312.59305	0.7
321.20703	1.5
339.21735	3.2
343.14001	34.7
501.26987	1.3
545.26190	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	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94004	0.8
59.01390	10.3
71.01379	1.3
80.71888	0.9
89.02441	1.7
89.89174	0.9
101.02432	3.9
102.76250	0.9
113.02467	1.0
119.05000	4.2
163.03983	6.2
168.12187	1.0
249.18604	100.0
253.09348	12.9
316.62030	1.1
485.27063	1.9
489.94644	1.2
507.29446	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.2
71.01382	2.3
76.23074	0.5
77.64555	0.4
89.02448	3.8
101.02436	3.7
113.02412	1.1
161.04547	1.1
205.19681	0.8
249.18594	100.0
253.09271	10.6
270.94028	0.5
363.66296	0.5
465.88425	0.5
485.27536	3.3
520.15649	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	545.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40646	1.5
51.00969	1.7
63.10169	1.9
71.06358	2.1
83.15182	1.9
84.10195	2.0
92.19528	2.8
99.68530	1.9
107.16546	1.9
111.22878	1.7
136.07239	2.2
141.83337	2.1
145.04066	2.1
177.99380	2.1
231.10275	40.7
313.14386	17.1
328.12903	3.2
328.16830	100.0
365.40829	2.4
440.55734	2.4
545.32678	10.9
571.60645	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	546.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.3
61.25921	1.1
71.01377	5.0
78.95900	4.8
88.17210	0.9
89.02459	6.9
96.96003	11.1
96.96953	9.4
101.02427	2.4
113.02443	1.9
119.03474	1.6
125.95472	1.3
132.27441	1.0
133.02940	1.5
135.04480	4.8
159.03259	1.6
160.04033	100.0
161.02438	55.9
171.58723	1.1
179.03500	5.2
179.05630	4.5
200.07326	1.0
204.03018	35.8
208.09758	1.5
213.67230	1.1
262.57001	1.3
279.10815	6.2
280.11166	6.5
341.08795	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46358	0.4
50.80312	0.4
51.87325	0.4
58.19802	0.4
61.98837	0.5
65.47725	0.4
78.95905	20.8
78.96344	1.0
95.10416	0.5
96.96956	4.2
100.55221	0.5
150.98047	1.1
152.99582	100.0
156.02005	0.6
171.00632	3.8
305.24841	1.1
459.25204	18.5
546.28442	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	546.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94431	2.3
75.88787	2.5
78.95909	29.6
93.29499	2.9
108.80856	2.6
146.18402	2.7
152.99585	100.0
214.89685	3.2
329.84854	2.8
338.28601	3.1
338.71927	2.6
459.25317	23.2
546.16199	3.5
546.28363	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	546.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.4
60.43668	0.5
61.19667	0.5
61.98835	100.0
68.99863	0.6
70.10928	0.6
71.30878	0.5
92.20158	1.4
121.02958	27.4
122.03283	8.3
147.62181	0.6
151.05363	0.6
222.19681	0.6
226.94850	0.6
319.12344	0.7
458.98349	0.6
486.30673	1.0
487.56802	0.8
546.24158	1.1
546.32336	1.0
568.20459	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	547.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.2
61.98825	3.3
62.19438	1.5
71.01392	2.6
76.15794	1.5
88.86823	1.4
121.02994	2.7
125.02477	1.8
136.90134	1.7
151.00374	10.7
163.06088	1.4
164.08438	1.7
178.99757	2.7
237.65363	1.7
243.02954	5.8
243.06767	5.4
245.31746	1.6
255.02954	14.1
270.99570	2.4
271.02481	44.7
272.03333	2.6
300.02777	100.0
301.03537	17.3
307.10345	2.7
547.14624	86.0
547.22260	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	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02965	3.8
87.00890	0.7
93.03471	0.7
101.90260	0.5
133.02942	1.2
135.04532	15.8
161.02443	66.1
179.03497	13.0
187.81296	0.6
191.05634	100.0
193.07127	0.7
200.85349	0.6
355.10364	63.6
547.16644	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	547.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
66.48831	0.6
70.27393	0.6
78.95891	0.8
85.02936	4.7
87.00848	0.8
90.42770	0.6
92.19436	1.3
93.03448	1.0
96.95992	3.9
96.96954	3.1
98.95582	3.3
99.00884	0.9
101.02419	1.1
133.02940	1.3
135.04521	13.0
148.34007	0.6
150.36252	0.6
153.05566	0.7
161.02431	66.8
161.04581	2.2
163.04047	1.2
179.03485	16.3
181.40593	0.6
182.77150	0.7
191.05620	100.0
191.07083	3.8
193.07123	1.0
209.08200	0.8
235.06064	1.0
314.79056	0.7
325.09296	1.5
355.10355	58.7
378.99301	0.6
547.16406	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	547.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78978	0.8
58.00607	4.8
58.99400	0.9
59.01382	4.0
60.75082	0.8
63.75613	0.9
68.99816	3.9
71.33310	0.9
73.02944	2.1
83.17426	0.9
83.64296	0.7
86.00103	30.3
86.00636	1.2
96.99304	4.0
99.00911	0.9
99.86546	0.9
101.02447	35.6
111.00879	4.5
112.98876	1.8
113.99581	12.3
116.94186	1.0
129.01949	18.0
154.99861	2.2
157.90126	0.9
173.00925	45.3
293.20972	1.0
328.16782	1.8
329.17599	100.0
395.78625	1.0
429.73849	1.1
503.19363	10.2
529.26367	1.0
547.18054	15.3
556.98065	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	547.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63359	0.5
59.01377	1.2
60.47486	0.5
64.68185	0.4
65.74337	0.5
66.15981	0.4
66.32130	0.5
66.67035	0.5
73.10003	0.5
82.98020	0.5
88.10925	0.5
92.82339	0.5
129.01949	0.8
136.65381	0.5
253.09341	1.1
263.00241	0.5
293.21292	5.7
311.22397	5.5
329.17609	100.0
477.55276	0.6
487.31168	0.6
547.23126	2.9
547.30908	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	547.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08614	0.2
58.53623	0.2
59.01366	0.4
63.94867	0.2
71.01364	0.2
80.54858	0.2
85.02932	2.8
86.31167	0.2
87.00864	1.1
89.02450	0.2
93.03443	0.4
111.00913	0.2
111.04516	0.8
117.30960	0.2
127.03992	1.2
167.27571	0.2
173.04587	0.8
191.05621	100.0
205.07259	0.3
209.06696	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	547.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
58.37607	1.1
72.99316	1.3
73.02943	2.0
85.02952	1.3
92.20101	2.5
97.02935	2.1
109.02975	10.4
117.07095	2.7
123.04473	5.5
125.02467	10.4
133.10233	15.8
137.02458	3.0
139.04028	1.9
149.02432	2.5
151.03998	6.2
151.11308	14.7
155.01685	2.5
161.06056	2.4
164.01019	1.5
165.01926	2.9
167.03464	2.0
167.10818	2.0
169.12372	1.7
179.03482	8.1
185.08148	2.4
191.03459	2.0
195.13919	8.6
203.07129	11.5
205.05003	6.6
227.07034	2.2
245.08202	14.2
257.13953	100.0
289.07193	61.8
547.15833	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	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03439	1.0
59.01384	27.8
67.09063	0.4
71.01380	23.8
73.02935	4.7
81.74375	0.4
83.01395	4.1
85.02953	14.1
87.00875	2.0
89.02442	20.6
95.01389	4.2
97.02956	1.0
99.00871	2.9
101.02441	22.1
113.02447	29.2
119.03475	7.1
125.02380	0.6
125.06067	0.7
139.07722	0.8
143.03465	1.9
150.13680	0.7
151.07623	2.8
152.08443	6.6
153.09222	18.9
155.58139	0.5
161.04544	3.3
161.08203	0.6
167.47316	0.5
179.05589	2.2
205.12335	14.0
221.06725	0.5
223.13297	0.8
269.78119	0.6
323.09802	2.9
370.03799	0.6
385.18704	5.3
487.25262	0.7
547.23999	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	547.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.16671	1.5
67.58047	1.5
69.03452	3.1
71.01385	38.1
73.02945	20.2
81.03451	2.6
83.01377	3.5
84.11048	1.6
85.02950	15.3
87.00860	1.6
88.98820	3.2
89.02435	20.0
97.02960	10.4
100.25750	1.7
101.02451	28.7
103.04004	20.3
119.03494	8.3
121.71787	1.6
125.02458	33.9
145.04980	2.3
163.06171	23.9
164.08411	25.2
172.14317	1.6
179.10728	3.2
183.72911	1.7
247.08228	3.4
275.39798	1.9
307.10373	80.0
349.20258	6.6
487.21570	12.0
547.23053	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	547.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26661	0.5
59.01382	6.7
65.16451	0.5
68.57063	0.6
80.67285	0.6
83.04996	0.6
92.57690	0.6
119.05037	0.6
121.02952	100.0
121.06598	0.9
123.08148	2.2
130.41891	0.6
137.06065	1.3
139.07616	0.7
147.16623	0.5
151.52550	0.6
157.64354	0.6
163.61169	0.6
166.73950	0.6
176.57639	0.6
209.81554	1.0
240.06030	0.6
261.14758	0.6
365.19720	0.9
425.21854	34.5
547.25018	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	547.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
71.01383	2.2
89.02440	2.9
101.02432	3.3
106.63814	0.5
113.02460	0.8
161.04527	0.6
179.05571	0.6
224.04689	1.1
227.44731	0.6
233.19060	1.1
235.08173	0.8
237.44998	0.6
239.07222	1.1
251.20172	100.0
253.09308	9.5
264.07980	1.0
279.10266	2.9
468.81149	0.7
473.21124	4.7
487.29330	3.9
490.47610	0.6
503.26343	1.0
543.22449	0.6
547.24835	4.4
549.64435	0.6
574.82239	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	547.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80138	1.6
59.01384	3.4
61.98825	2.6
65.06071	1.5
77.58315	1.5
83.32764	1.5
88.34515	1.5
98.55055	1.6
117.28269	1.6
121.02965	1.7
153.94685	1.5
167.10806	3.1
179.14404	3.4
195.13977	16.1
205.12297	13.5
223.13388	100.0
271.76401	1.7
298.14142	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	547.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11584	2.1
59.01384	100.0
62.97927	2.2
85.02973	5.4
95.45803	3.1
97.60957	2.7
121.02962	28.0
123.94545	3.0
211.88841	2.5
270.07816	3.1
287.16522	14.8
303.19604	4.4
425.21747	5.8
435.35107	2.7
487.30780	79.6
565.49146	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	547.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20465	1.5
52.08601	1.6
59.01387	100.0
64.62006	1.5
67.68507	1.5
83.14758	1.5
88.40630	1.4
92.19390	4.6
105.17434	1.5
158.17102	1.7
168.01451	1.4
172.30539	1.5
311.01486	1.8
311.22372	9.1
315.12311	1.6
434.23065	1.6
547.31989	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	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98835	100.0
64.79049	0.9
66.27283	0.9
71.54099	0.8
85.32011	0.9
93.89575	0.9
98.50372	0.8
162.13531	0.9
185.43819	0.9
194.38666	0.9
201.39459	0.8
249.18674	2.1
250.18929	5.9
251.19235	1.3
252.19502	1.9
320.09790	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	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.5
69.70393	1.6
83.93673	1.6
97.66010	1.9
112.27312	1.7
121.02959	100.0
123.99668	1.9
165.01942	26.6
181.06598	2.5
195.73227	2.0
225.05792	2.5
325.91098	2.2
390.54520	2.2
549.10345	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53416	1.0
57.03482	1.2
59.01373	13.1
62.07049	1.1
70.89198	1.3
71.01382	7.8
72.99310	16.3
73.02947	33.4
73.24957	1.2
83.01380	6.3
85.02944	17.7
89.02443	7.2
93.03462	5.4
95.01358	3.0
99.00875	5.3
101.02443	9.5
111.00832	1.8
111.04498	2.1
113.02442	42.5
113.03219	2.5
117.01930	74.6
121.26473	1.3
123.00625	1.2
129.01923	2.1
131.03500	20.2
133.01404	1.4
137.02415	1.6
153.97978	1.3
157.01443	5.9
164.92632	6.5
173.04594	10.1
175.02437	12.9
189.04012	2.9
191.05661	12.5
192.05884	1.5
193.06041	1.9
206.93776	2.6
207.05116	100.0
372.88321	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	549.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
60.04470	1.2
60.91389	1.2
63.07278	1.2
71.01385	2.9
72.99308	1.6
73.02953	16.5
77.08778	1.3
78.95918	2.0
81.03461	1.3
83.05033	5.9
85.02966	12.0
89.02428	5.9
93.02898	2.1
93.03452	41.4
99.00880	6.6
99.04511	5.6
101.02435	2.1
105.34063	1.4
109.02936	1.7
111.04517	35.3
113.02434	2.1
117.01930	3.1
129.01932	7.1
129.05559	15.3
137.02431	24.5
143.03503	6.1
155.03537	15.9
162.03096	2.3
170.75075	1.3
173.00868	2.3
173.04549	100.0
179.05583	1.9
207.05087	2.0
211.85603	1.2
249.95787	1.5
340.74908	1.4
357.11893	2.9
375.13101	9.1
550.42017	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	549.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86537	0.7
58.32198	0.7
58.42227	0.8
59.01376	10.0
63.27322	0.8
72.99309	23.7
73.02936	2.0
83.05017	4.1
83.45300	1.0
85.02963	1.3
85.06583	4.3
93.03466	6.0
96.09815	0.9
99.00876	1.4
99.04514	7.4
99.38284	0.8
111.04517	40.0
129.01933	1.7
129.04697	1.0
129.05574	26.4
137.02438	4.7
155.03502	100.0
165.05563	1.0
173.04547	97.1
231.08765	1.0
288.70587	0.9
345.82086	1.0
366.56708	0.9
369.91443	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	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
61.98838	0.5
71.01381	1.1
73.02947	1.1
83.01389	8.4
85.02931	0.8
86.02946	0.5
89.02453	2.0
99.04463	0.5
101.02424	2.1
105.37755	0.5
112.98552	0.7
121.02962	0.8
122.03719	8.4
123.04533	10.6
136.05287	3.6
137.02452	4.1
137.06104	2.3
137.51410	0.6
147.04512	8.6
148.19043	0.5
151.03996	7.3
152.04813	2.1
153.05565	0.5
161.06114	2.6
163.03941	0.7
166.06297	2.0
167.07100	2.9
168.77248	0.6
174.34801	0.5
175.07603	0.7
199.49417	0.5
205.05008	0.7
221.08141	2.9
239.09198	6.2
283.30643	0.5
313.10828	4.1
325.14349	0.5
325.23669	0.6
327.21698	4.0
328.13232	3.2
343.15512	1.2
357.09842	16.8
372.12180	15.9
387.14517	100.0
387.23169	2.5
394.68979	0.6
541.19434	0.7
549.20074	3.2
549.29163	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	549.1983
Annotation	Eucommin A
Peak:m/z	Relative Intensity
55.91363	0.7
59.01372	5.9
61.98834	0.9
68.99561	0.8
71.01392	3.8
73.02925	1.2
79.67084	0.8
82.67358	0.8
83.01389	15.4
85.02959	1.3
89.02433	1.2
96.96009	4.1
96.96948	1.4
97.13775	0.9
100.66313	1.0
101.02422	1.8
101.39362	1.0
112.98524	1.4
113.02472	1.6
115.58021	1.0
121.02966	1.9
122.03738	6.7
123.04494	10.5
136.05307	1.8
137.02422	2.2
137.06091	5.1
140.06496	1.0
140.39067	0.9
147.04549	9.1
151.04027	5.3
152.04836	1.5
161.06096	1.6
166.06354	3.3
167.07173	3.6
171.22546	0.8
199.86897	0.9
221.08244	1.2
239.09225	5.2
313.10840	4.9
327.21619	4.5
328.13162	3.7
343.15387	1.6
357.09821	14.4
369.22729	1.2
372.12268	13.6
387.14517	100.0
387.23947	4.3
549.19977	7.9
549.29016	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	549.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53320	2.8
59.01386	76.9
62.66096	2.8
69.03446	2.8
71.01377	55.2
73.02926	5.1
78.40245	2.9
85.02963	11.2
85.50507	2.6
87.00874	5.8
89.02441	68.3
97.02951	4.9
101.02451	60.8
109.02927	5.0
113.02447	28.5
117.95478	3.2
119.03503	29.5
122.24938	2.7
125.02454	25.2
131.03539	6.0
137.00819	3.0
143.03522	4.9
149.23260	2.7
153.01952	3.4
161.04582	12.8
165.09196	61.6
168.76001	2.9
179.05577	23.7
185.11798	4.1
209.76573	2.8
221.06631	6.5
225.02478	2.8
269.17426	4.7
283.87875	3.1
309.20834	5.4
323.09869	100.0
336.75339	3.1
343.24844	6.5
344.04755	3.1
387.14615	5.2
387.23663	13.9
489.19952	5.0
549.22229	24.3
549.29620	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	549.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53320	2.8
59.01386	76.9
62.66096	2.8
69.03446	2.8
71.01377	55.2
73.02926	5.1
78.40245	2.9
85.02963	11.2
85.50507	2.6
87.00874	5.8
89.02441	68.3
97.02951	4.9
101.02451	60.8
109.02927	5.0
113.02447	28.5
117.95478	3.2
119.03503	29.5
122.24938	2.7
125.02454	25.2
131.03539	6.0
137.00819	3.0
143.03522	4.9
149.23260	2.7
153.01952	3.4
161.04582	12.8
165.09196	61.6
168.76001	2.9
179.05577	23.7
185.11798	4.1
209.76573	2.8
221.06631	6.5
225.02478	2.8
269.17426	4.7
283.87875	3.1
309.20834	5.4
323.09869	100.0
336.75339	3.1
343.24844	6.5
344.04755	3.1
387.14615	5.2
387.23663	13.9
489.19952	5.0
549.22229	24.3
549.29620	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	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	77.1
62.56852	4.7
71.01373	33.8
71.21873	5.7
73.02936	5.1
85.02943	5.8
89.02447	58.7
101.02442	34.9
113.02446	21.7
116.75910	5.8
119.03485	12.6
125.02391	9.5
143.03477	7.2
153.33524	5.2
161.04614	5.2
165.09190	100.0
179.05635	8.9
258.81030	4.6
289.07346	5.3
311.74496	5.5
323.09821	72.3
347.53107	6.0
351.21658	21.1
360.09286	5.4
387.18295	7.4
415.03586	4.9
489.19873	6.8
549.23938	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27124	1.7
59.01381	23.8
61.27039	1.6
71.01391	15.4
73.02949	3.9
78.95912	35.2
83.01366	2.4
85.02960	3.2
89.02445	22.0
95.01376	2.0
96.96004	100.0
96.96960	96.5
96.97613	3.8
100.93180	2.1
101.02448	16.5
113.02448	11.1
117.32715	2.2
119.03477	8.3
125.02430	8.9
128.98274	1.9
165.09209	36.3
179.05605	15.0
188.04913	2.1
323.09866	37.1
387.14435	9.4
489.19989	3.0
549.23181	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	549.2709
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
59.01100	4.3
59.01385	100.0
60.69184	2.3
67.14277	2.5
72.57745	2.3
73.02940	10.7
115.53466	2.2
117.05602	2.6
127.52982	2.2
128.11917	2.2
139.60970	2.3
158.20035	2.2
165.01866	3.1
209.78864	2.4
254.13135	4.2
279.99066	2.6
329.17722	4.5
347.18787	3.1
362.69382	2.4
389.19751	57.4
445.22382	23.3
447.08618	4.4
471.23785	39.4
489.24890	28.6
549.15674	13.6
549.26825	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	549.2839
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
64.03347	16.7
67.61253	16.9
92.19401	18.3
105.92796	20.8
131.29431	19.7
132.90253	17.2
138.25459	19.9
145.38779	17.7
333.66324	18.9
336.21014	18.1
399.82910	20.5
422.32339	20.8
549.28400	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	549.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52382	2.2
58.25604	2.4
73.13967	3.4
92.20138	8.6
103.91160	3.0
128.10814	86.0
130.04230	5.7
140.78076	2.8
159.06262	3.0
202.02730	45.5
267.82788	2.9
328.16751	3.4
331.14288	100.0
401.61118	4.1
549.29956	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45916	1.7
59.01391	37.9
85.02968	2.8
98.37048	1.8
109.01546	1.9
111.08167	50.2
112.44475	2.1
118.98853	1.8
129.09181	2.9
141.06000	1.8
143.10788	10.3
164.13153	2.0
187.13403	64.3
211.76628	2.3
283.16800	2.2
301.18005	22.7
327.19800	2.5
345.20752	7.8
365.97571	1.9
489.32309	100.0
549.34619	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	549.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
74.25488	0.5
168.50902	0.5
204.62997	0.5
219.72137	0.5
234.63625	0.5
290.14792	0.5
361.96036	0.6
489.32352	2.5
549.26019	0.7
549.34241	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	549.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46618	2.1
51.26637	2.0
51.93449	2.1
53.94682	2.2
59.01382	24.8
66.52228	2.8
71.71519	2.4
92.19324	6.2
101.28474	2.9
111.08163	43.1
143.10786	3.4
169.16173	3.6
187.13420	67.9
285.73239	3.0
301.18076	63.5
322.99524	3.4
406.37329	3.1
435.23682	3.0
489.32388	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	549.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80848	0.9
53.21269	0.9
59.01384	100.0
92.20071	1.5
100.55328	1.1
106.37287	1.2
134.93497	1.2
167.03558	1.1
173.06058	4.7
181.08707	5.9
189.05524	3.0
190.06453	1.6
203.10686	1.3
233.04570	1.9
489.32422	11.3
549.26892	3.4
549.34436	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	549.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90928	1.2
53.01837	1.2
56.13908	1.3
57.33684	1.4
59.01387	100.0
59.01685	3.5
71.65136	1.3
85.02940	2.0
92.20027	1.9
117.41043	1.4
227.14020	1.6
373.67181	1.5
419.82458	1.6
489.32312	20.4
549.34454	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	549.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88372	0.3
74.22401	0.3
78.95901	1.2
88.20257	0.4
96.94550	0.3
100.93365	0.3
121.42274	0.3
164.90488	0.7
178.88487	0.5
179.89256	0.6
180.90002	0.5
193.90823	2.0
194.91495	0.4
196.89430	1.3
197.01187	0.3
216.54398	0.3
220.91064	0.3
231.10271	35.5
285.15051	0.6
311.04590	0.3
311.16669	0.3
313.10815	0.6
313.14462	18.6
328.16837	100.0
549.19312	7.1
549.35919	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	551.0987
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
50.18257	0.5
52.71199	0.6
59.01385	4.1
63.25317	0.5
69.65359	0.5
73.71468	0.5
107.01389	1.1
117.03455	4.4
151.00368	4.8
173.57243	0.7
184.20348	0.7
193.58284	0.6
208.75539	0.7
219.25128	0.6
357.04169	1.2
367.06226	3.8
374.04276	13.0
389.06619	8.9
398.04443	1.1
399.05069	1.0
401.02997	12.2
401.07843	0.9
411.05008	1.1
413.06699	1.1
416.05405	2.7
423.08865	3.0
431.07870	3.8
433.07059	1.3
442.03568	0.9
447.09085	1.2
451.08408	9.5
475.08389	3.7
477.06216	1.0
493.05899	2.4
518.76959	0.7
519.07245	46.2
551.09894	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	551.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84877	0.4
71.70728	0.4
76.47504	0.5
95.79999	0.5
112.60789	0.5
114.18420	0.5
125.42784	0.5
129.44678	0.4
146.17053	0.5
149.33115	0.5
156.25745	0.6
158.03743	0.6
173.06104	5.0
178.82455	0.6
207.12166	0.5
217.05057	1.9
237.07463	0.5
292.88156	0.5
307.06134	4.9
331.06116	19.6
333.04083	2.2
374.04572	0.9
375.05109	100.0
399.05093	1.9
423.68884	0.6
461.86209	0.5
493.26935	0.6
551.09863	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49934	0.4
62.09599	0.5
65.35187	0.5
77.63448	0.6
80.71854	0.7
82.32858	0.6
90.00825	0.6
93.03431	3.2
107.01309	0.5
117.03469	7.4
124.10419	0.5
136.39534	0.6
159.04532	4.1
203.03423	2.1
236.94330	0.6
286.85895	0.7
315.25082	0.6
321.07654	2.2
330.05307	1.3
345.07687	14.0
347.05643	2.6
374.04303	11.0
387.08572	0.7
389.06696	72.1
398.04312	2.3
413.06674	16.6
415.04425	5.2
416.05389	1.3
431.07706	18.1
457.05878	3.3
465.09842	0.7
551.09857	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	551.0983
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
59.01384	0.6
62.83281	0.4
65.76215	0.4
73.36075	0.4
117.03450	2.5
125.43784	0.4
135.00891	0.5
136.98740	0.6
140.38344	0.5
151.00337	0.5
158.03592	0.6
159.04594	0.6
163.00351	1.1
183.04491	1.0
185.02538	0.5
186.03238	0.8
195.04503	0.6
211.04031	1.8
213.01956	1.9
227.03529	3.4
239.03473	0.9
252.04109	0.7
254.02263	0.6
255.00491	0.9
255.02997	18.6
266.02386	0.6
267.02695	0.5
268.03677	1.0
269.04535	3.9
283.02490	43.6
284.09299	1.9
291.90729	0.6
298.04736	0.6
345.07642	1.0
358.49847	0.6
374.04443	2.0
375.05283	0.9
389.06842	5.4
413.06760	0.7
416.05200	0.9
419.09402	0.7
423.08698	0.9
424.09372	1.7
431.07712	2.2
448.09637	0.8
451.08417	0.6
463.08084	2.1
464.08969	2.0
467.07678	0.9
468.08453	2.8
483.10938	2.6
492.08493	2.5
519.07098	2.2
535.06940	3.6
535.99371	0.7
536.07562	20.9
551.09875	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	551.1773
Annotation	Lactucaside
Peak:m/z	Relative Intensity
51.33104	0.8
54.18766	0.7
59.01389	11.9
71.01377	5.0
71.01729	0.8
85.02937	4.5
89.02443	8.0
92.20033	1.4
95.83477	0.8
100.14336	0.9
101.02446	4.0
109.02943	1.2
113.02474	1.6
119.03511	1.7
123.04470	1.8
124.01627	5.8
125.02399	1.5
137.02414	2.2
138.03198	1.0
139.04002	12.3
145.02971	0.8
147.04520	1.2
148.05310	4.6
151.04016	12.0
159.04459	1.1
160.05301	13.1
161.04799	0.9
161.06091	4.5
162.03215	1.0
163.03923	0.9
163.07655	7.1
165.31383	0.9
167.33904	0.8
172.05246	3.4
173.06085	3.9
175.03990	1.8
175.07600	5.5
176.04755	2.1
177.05530	1.2
178.06300	0.9
181.08704	3.7
187.07640	1.9
191.07138	1.7
203.03471	1.4
204.04260	11.5
205.05032	1.8
207.06638	6.0
217.05103	3.6
218.05769	1.2
219.06592	19.3
220.03711	1.1
221.04611	1.9
231.06590	9.4
237.07700	5.1
242.09694	0.8
258.05081	0.8
297.07651	5.2
300.10123	1.3
311.09225	5.5
312.09955	12.4
315.12265	1.9
327.12430	13.6
356.09113	3.4
359.98157	1.2
366.66580	1.0
371.11319	10.7
389.12427	100.0
419.91400	0.9
551.17578	31.6
551.26654	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	551.1771
Annotation	Lactucaside
Peak:m/z	Relative Intensity
54.54002	1.0
57.03443	4.7
58.13534	1.1
59.01382	16.8
64.40105	0.9
71.01376	7.6
79.39653	1.0
84.25062	1.0
85.02931	2.4
89.02436	13.5
98.69115	1.3
101.02430	8.3
102.06863	1.1
109.02927	1.2
113.02438	4.3
119.03474	6.2
121.02966	1.2
121.06568	2.2
123.04505	1.9
124.01624	4.4
125.02443	1.3
137.02448	1.5
137.09720	5.0
138.03214	1.9
139.04007	10.4
148.05301	4.5
151.03993	8.8
153.05557	1.8
155.10727	3.9
160.05278	12.8
161.06055	6.0
161.09727	4.2
162.03185	1.1
163.07635	23.9
163.94148	1.2
165.07675	10.3
167.07072	1.7
172.05263	1.6
173.06076	5.0
175.03987	1.5
175.07617	2.2
176.04755	4.0
177.05562	1.1
178.06412	1.2
181.08597	1.5
199.09769	1.7
204.04230	7.7
205.05055	5.4
206.05753	1.2
207.06645	7.3
217.05161	2.3
218.05811	1.8
219.06648	16.8
221.04282	1.2
231.06636	7.8
237.07701	4.3
296.10449	2.5
297.07907	2.5
297.11096	1.3
300.10025	25.2
310.08511	1.7
311.09216	5.3
312.10092	29.7
315.12393	100.0
327.12439	26.2
345.13483	10.0
356.09045	2.3
371.11136	8.5
376.29330	1.1
389.12442	86.2
442.57278	1.2
479.17715	2.1
491.19226	1.5
551.17145	18.4
551.23578	48.0
556.19421	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	551.1774
Annotation	Mulberroside E
Peak:m/z	Relative Intensity
53.76419	1.0
64.32347	1.4
77.98394	1.1
82.48844	1.6
85.02920	1.6
89.02448	1.3
101.02479	1.4
106.96811	1.2
109.02998	2.4
113.63615	1.4
121.02898	1.9
123.04463	1.5
124.01654	8.5
137.02397	7.0
137.06053	1.5
138.03233	2.3
139.04034	14.8
148.05307	5.4
151.04021	10.4
153.05534	1.6
159.04494	1.6
160.05280	17.9
161.06093	5.4
163.07658	9.5
172.05237	2.0
173.06068	5.2
175.04121	1.5
175.07602	2.9
176.04773	6.8
178.06349	1.3
187.07655	1.5
188.04802	1.8
189.05655	2.3
191.07184	2.5
202.06396	1.8
204.04289	28.9
205.05011	5.0
207.06683	9.1
209.02219	1.1
209.04509	9.8
217.05035	2.8
218.05899	2.4
219.06618	42.7
221.04578	2.1
231.06528	10.8
237.07599	4.6
297.07639	6.9
311.09412	10.7
312.09982	18.7
315.12262	1.7
327.12347	17.3
356.09033	1.7
371.11493	18.5
389.12445	100.0
533.16431	10.3
551.17786	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88247	2.0
59.87314	1.9
64.18381	2.0
81.59380	1.8
93.07095	2.9
125.02401	3.6
171.10257	4.2
183.10278	100.0
201.11342	5.1
227.09364	4.1
228.11433	2.5
245.10312	99.0
305.06445	2.4
398.18564	2.4
539.79565	2.9
553.43634	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	551.1776
Annotation	Lactucaside
Peak:m/z	Relative Intensity
59.01367	1.2
60.54060	0.7
77.48118	0.9
103.57413	0.8
108.02189	3.9
119.89233	0.9
123.04509	5.2
132.46301	0.8
158.03729	1.0
163.37578	0.9
173.06078	6.2
174.03264	1.9
175.03976	1.4
188.04805	3.6
189.05559	11.6
201.05595	4.3
201.88599	0.9
203.03429	1.0
203.07066	1.4
206.05832	3.5
217.05119	6.2
257.08191	1.0
260.81067	1.0
279.06589	1.4
281.08252	1.9
282.08954	8.9
293.08383	1.2
294.08926	6.9
297.07764	1.3
297.11288	3.9
298.08572	6.4
309.11407	5.1
310.08688	0.9
312.10144	10.8
313.10913	10.0
325.10889	1.0
326.07977	5.0
327.12564	6.6
330.11090	2.1
341.10315	10.6
343.11676	1.0
346.64661	0.9
356.09009	6.0
371.11377	7.3
389.12506	9.8
436.88815	1.1
551.17780	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	551.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01390	6.4
71.01388	3.0
73.02935	0.8
74.96400	0.7
75.00877	1.5
82.42182	0.7
83.01385	3.0
85.02953	7.5
87.00875	27.8
89.02444	5.7
92.19456	0.8
99.00896	6.2
101.02438	1.4
107.49123	0.7
113.02414	1.0
115.04012	6.5
117.01920	1.4
129.01950	21.6
159.03003	4.1
163.46439	0.7
181.14178	0.8
191.93690	0.8
204.27011	0.7
207.05061	1.3
209.06689	100.0
551.19305	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	551.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42171	0.9
53.57001	0.8
57.03452	4.1
59.01384	5.9
71.01382	4.3
71.30021	1.1
71.91602	0.9
83.01392	4.5
85.02960	10.7
87.00873	32.2
89.02436	5.8
92.19432	1.9
99.00884	5.7
105.25626	1.1
108.63531	1.0
109.79440	1.0
111.00830	1.6
115.04019	6.4
119.08478	1.0
129.01950	24.8
135.03725	0.9
159.03004	6.1
182.34044	1.1
207.05098	1.4
209.06693	100.0
312.60291	1.1
353.07043	1.0
398.63245	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	551.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50083	0.4
52.46088	0.5
55.14973	0.5
56.80030	0.5
59.01384	22.2
61.98818	1.1
71.01379	2.7
73.02943	0.7
75.80901	0.6
82.15916	0.5
83.01392	6.2
85.02928	0.9
87.00880	1.0
89.02444	1.1
89.03123	0.5
95.76736	0.7
101.02435	2.5
101.06033	0.5
102.37076	0.6
108.02138	0.7
109.02951	2.4
113.02428	1.1
114.93493	0.6
121.02942	2.6
122.03733	3.4
123.04510	4.8
124.01646	0.7
134.03732	7.2
135.04535	0.8
136.05276	2.7
137.02431	6.8
137.06049	2.5
139.04042	1.0
146.03755	14.8
147.04501	3.4
149.02409	2.2
149.06055	7.4
150.03188	0.7
151.03999	7.9
152.01146	1.0
152.04805	1.2
153.01939	0.8
159.04549	0.7
161.02513	0.6
161.06094	10.1
161.07355	1.0
162.03178	0.6
163.04002	1.2
164.04808	10.6
165.05638	0.7
165.63477	0.6
167.03462	2.8
175.04028	8.2
176.04788	16.9
176.61244	0.6
179.07140	18.3
189.05551	2.2
190.06354	11.5
191.03497	2.4
191.07167	1.3
204.04256	4.2
205.05084	1.3
219.03041	1.1
220.03795	15.9
234.05338	1.1
235.06105	4.9
312.10001	1.3
329.17215	0.7
343.11929	1.9
357.09824	13.7
358.10623	3.6
371.11371	100.0
372.12140	5.7
373.12927	4.9
438.57413	0.6
491.30228	3.1
505.33835	11.3
509.24188	2.9
521.18304	8.1
533.18298	5.2
551.18494	4.7
551.30890	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	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18656	4.3
59.01382	38.4
63.81078	2.9
85.02943	5.3
89.02460	4.1
101.02425	5.4
101.61737	3.0
109.02969	5.2
115.57487	3.0
121.03004	4.4
123.04549	5.2
123.72793	4.3
132.94350	3.4
137.02446	3.5
148.05316	4.2
150.03189	32.0
151.04004	5.4
156.82680	3.4
159.04485	8.4
160.05280	23.0
161.06052	4.3
165.05519	31.9
172.05321	4.7
173.06056	17.2
177.63647	3.8
181.08774	6.1
195.06645	18.0
204.04279	28.6
219.06595	47.9
241.05014	4.9
256.07590	6.4
267.06619	5.0
268.07373	3.8
269.08081	7.0
271.09641	6.2
283.06186	4.6
283.09708	7.5
293.08157	3.5
295.06146	4.3
295.09348	3.6
305.08304	4.7
307.05930	6.8
322.08487	5.0
329.17639	4.0
337.10904	8.4
353.23380	16.8
365.14340	4.8
400.88348	3.9
429.13547	17.5
440.72006	4.1
441.13260	17.6
444.15756	8.1
459.18130	19.0
471.18188	35.0
485.12787	5.9
503.17157	28.7
515.16943	29.2
521.18329	100.0
533.18286	70.6
551.18585	30.2
551.24432	4.8
551.31604	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	551.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22581	0.7
59.01389	8.5
71.01379	4.5
89.02454	7.7
93.03448	30.2
101.02430	1.1
123.04491	1.3
127.19396	0.8
137.02446	100.0
152.01123	1.1
164.04836	0.9
167.03494	11.4
179.07100	7.0
209.04561	1.7
233.26907	0.8
233.29309	1.0
299.07745	14.4
329.08704	6.7
329.12439	10.7
542.28436	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39523	9.6
58.38926	9.5
59.01384	100.0
61.98824	15.7
62.24743	9.2
63.38856	11.2
71.01361	15.7
73.02953	12.6
73.59212	11.6
74.38789	10.1
75.47098	9.8
84.96526	12.5
89.02429	17.4
89.13462	9.5
89.71589	10.6
91.32137	10.6
98.10271	9.8
101.02444	18.4
108.48607	11.3
114.96419	11.6
121.02916	15.7
136.61827	10.9
159.03288	12.3
168.07756	12.1
217.12192	13.0
279.12436	16.2
300.76761	11.7
329.13785	18.8
551.24658	66.0
551.31543	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18958	2.2
53.84842	2.2
56.10703	2.5
59.01386	100.0
61.32459	2.3
71.01386	42.7
71.14216	2.2
73.02956	5.3
83.01394	2.8
85.02927	10.9
85.95132	2.4
88.48817	2.8
89.02437	63.8
96.41331	2.7
98.66247	2.3
101.02453	41.4
104.49785	2.6
113.02448	27.4
119.03493	24.5
125.02422	18.7
131.03491	3.4
140.06464	2.7
150.03210	17.7
151.04053	5.1
161.04520	6.1
165.05542	6.3
167.10779	39.7
179.05623	25.1
221.06653	13.0
237.03767	2.8
252.87793	2.7
323.09912	79.3
340.09460	12.4
355.11838	14.7
491.22223	3.5
491.30283	12.1
503.17056	14.3
551.19855	5.5
562.42975	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	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17833	0.4
56.77175	0.5
57.03450	8.3
59.01384	19.4
71.01381	11.6
71.01763	0.8
73.02943	0.9
75.33875	0.5
81.42630	0.6
81.54990	0.5
85.02934	3.3
87.00852	0.8
87.04524	0.5
89.02440	22.7
95.01443	0.6
97.72240	0.5
101.02441	17.7
113.02438	7.7
119.03485	12.7
119.08719	0.7
121.06580	8.9
124.01650	1.4
125.02396	0.8
131.03416	0.8
135.11798	3.1
137.02501	0.9
137.09708	8.3
138.03394	0.6
139.03973	2.4
139.07663	0.6
143.03484	0.9
145.06621	2.6
151.03983	0.9
160.05331	2.6
161.04601	0.8
161.06155	0.5
161.09706	7.5
163.07635	30.6
165.07683	19.5
175.07674	0.8
179.05626	2.9
179.10745	1.4
181.08716	3.2
191.07118	0.8
197.11884	0.7
204.04268	2.6
205.08607	0.6
207.06625	1.0
219.06595	3.9
221.04564	0.6
223.09770	1.4
231.06552	2.3
271.35446	0.6
280.06998	0.6
297.07761	0.9
312.10123	2.5
327.12851	6.6
371.11411	2.9
389.12463	18.0
551.23615	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	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02123	1.0
55.53918	1.2
59.01385	100.0
60.66198	1.1
62.68539	1.1
67.92567	1.1
73.02944	3.0
83.87278	1.2
86.00151	1.1
92.19431	1.9
95.09435	1.1
96.79636	1.2
101.06110	2.0
109.62733	1.2
117.05564	6.3
123.83502	1.5
179.92276	1.4
304.73126	1.3
341.17654	1.4
356.64206	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	551.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56090	0.5
55.17253	0.6
59.01384	100.0
61.98821	0.8
63.38132	0.5
63.86690	0.6
64.27335	0.5
69.35545	0.6
71.01379	1.5
73.02944	0.7
73.61274	0.6
82.03996	0.6
85.02959	0.8
88.98786	2.9
89.02439	1.2
101.02430	1.5
111.00917	0.6
116.92816	1.1
119.48230	0.7
123.04506	1.3
137.02463	1.0
146.19389	0.6
181.08679	2.4
219.27086	0.6
312.16034	0.7
329.17554	1.0
329.23282	0.9
353.23083	0.8
371.24255	3.0
385.11978	0.7
388.36688	0.6
389.25461	12.1
521.17963	1.0
551.24701	1.4
551.30994	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	551.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49683	0.9
54.63223	0.7
59.01383	100.0
61.98842	1.4
68.24639	0.7
71.01381	1.0
73.94577	0.7
77.97533	0.8
110.45635	0.7
116.92834	6.2
167.87054	1.0
181.08719	1.3
329.17715	1.9
443.23947	0.8
551.26489	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	551.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61236	0.8
59.01386	100.0
83.14394	0.9
92.19496	1.5
105.75520	1.1
121.02932	6.1
123.04539	1.1
135.04475	3.5
137.02446	3.9
151.04051	1.0
353.23230	1.9
521.18231	7.8
533.18036	6.1
536.16895	1.5
551.18652	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	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02123	1.0
55.53918	1.2
59.01385	100.0
60.66198	1.1
62.68539	1.1
67.92567	1.1
73.02944	3.0
83.87278	1.2
86.00151	1.1
92.19431	1.9
95.09435	1.1
96.79636	1.2
101.06110	2.0
109.62733	1.2
117.05564	6.3
123.83502	1.5
179.92276	1.4
304.73126	1.3
341.17654	1.4
356.64206	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	551.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.05488	0.4
60.48738	0.5
61.01890	0.4
61.98847	0.8
71.01392	0.3
71.59216	0.4
95.30132	0.5
99.90194	0.4
101.02427	0.6
119.03487	0.6
121.02971	0.5
137.02435	0.8
148.88045	0.4
148.94116	0.4
181.08786	1.5
196.43326	0.4
211.11330	0.8
253.12395	2.2
271.02054	0.4
285.04245	0.5
313.14276	2.9
351.21805	2.4
353.22626	0.4
357.09735	0.6
371.11621	1.9
373.16672	2.9
423.85822	0.4
424.20016	0.4
491.33514	0.8
519.07611	1.7
551.10431	3.1
551.25537	2.4
552.50793	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	551.2502
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
59.01384	100.0
70.63951	0.7
92.20144	0.8
104.33678	0.8
106.50905	0.7
123.68242	0.9
146.03702	0.7
179.07150	1.0
181.08643	0.9
218.74765	0.7
281.15451	0.9
309.40021	0.8
311.16428	1.4
325.96729	0.8
329.17856	0.7
357.09573	0.9
371.18585	4.7
431.20755	6.2
491.23303	1.0
576.90710	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	551.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67176	0.8
56.35473	0.7
57.03433	0.6
59.01385	100.0
69.03459	0.9
71.01376	1.7
83.01386	1.1
83.05032	2.6
85.02940	3.6
97.02948	2.7
99.04467	1.7
101.12881	0.8
111.04482	1.0
113.06011	0.8
119.05048	1.1
121.06577	1.7
122.03775	1.1
123.04495	1.5
123.08131	3.7
127.03989	0.8
134.03723	1.3
137.06100	13.4
146.03738	3.0
147.08189	1.1
149.06075	1.8
151.04034	1.4
151.07611	1.4
161.06082	1.7
164.04752	1.5
165.09239	8.9
175.04060	1.1
176.04776	3.8
179.07086	4.8
189.09247	0.8
190.06383	1.3
191.10773	0.9
217.12309	1.3
220.03749	3.7
221.11848	7.9
230.25836	0.8
233.15575	1.3
245.74312	0.7
259.13394	0.9
269.15375	0.9
275.16431	0.8
299.16501	1.1
301.14447	1.0
317.17511	3.6
329.17499	0.9
347.18579	1.7
357.09946	2.8
359.18668	3.0
371.11353	21.7
371.15475	1.5
372.12234	0.9
373.12958	1.1
389.19498	7.3
407.20868	3.6
449.21921	6.3
509.23959	48.4
533.18402	0.8
551.18872	1.0
551.31287	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	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38373	10.4
64.29430	12.1
66.64228	12.4
72.41863	14.2
76.71339	12.4
80.77023	12.1
82.63233	11.4
83.78246	12.1
84.60732	13.0
85.63419	11.3
101.40171	13.0
123.77252	14.9
176.15269	12.1
186.83336	14.5
551.30237	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	551.2995
Annotation	2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.75505	6.9
54.94744	7.2
76.84024	8.8
86.18515	9.1
93.23840	7.6
94.21295	8.9
94.55149	9.6
97.26777	8.3
98.64110	8.3
111.58759	8.0
113.93458	9.4
118.08813	8.5
228.97134	9.2
551.30054	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	551.339
Annotation	CHEBI:69729
Peak:m/z	Relative Intensity
53.80567	1.9
59.07844	1.8
73.90051	1.9
78.95908	4.8
87.04510	55.9
92.56277	2.0
109.06593	4.7
116.20048	2.0
151.11276	2.4
177.09236	2.4
191.10802	37.8
203.10733	2.8
207.13890	13.3
210.14436	2.3
212.35403	2.1
231.10126	3.0
231.17624	3.8
261.22205	13.9
273.88892	2.2
274.15875	3.2
286.18805	2.4
289.18076	35.0
328.16748	10.8
329.17432	3.6
339.23169	2.8
343.84204	2.8
361.98779	2.4
365.21375	2.3
391.26508	4.2
421.27185	3.7
437.30447	4.6
463.28513	2.9
464.29257	2.8
489.33627	8.1
507.34711	22.4
551.20538	16.0
551.33789	100.0
551.42163	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	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53376	0.5
59.01384	9.2
65.39758	0.4
71.01377	2.1
71.52370	0.4
84.56586	0.4
85.82230	0.4
89.02446	2.3
92.19479	0.5
99.37775	0.4
101.02441	2.7
113.02451	1.5
119.03508	0.8
161.04703	0.5
235.08226	2.9
250.94994	0.5
251.32573	0.4
253.09262	9.3
255.23309	100.0
288.46857	0.4
330.86893	0.5
389.06586	0.9
411.23672	0.4
491.32172	5.8
503.22556	0.4
551.10107	2.4
554.10034	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	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37748	0.7
56.10285	0.6
59.01386	8.5
71.01372	1.4
89.02447	2.7
93.42855	0.8
101.02416	3.1
113.02435	0.8
116.15885	0.8
235.08162	1.4
253.09314	9.7
255.23305	100.0
297.19287	0.8
457.28418	0.8
491.32413	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	551.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.83962	0.6
64.32416	0.6
85.02941	1.6
132.35013	0.8
137.25636	0.8
150.35921	0.6
171.13866	2.6
185.85678	0.8
262.96646	0.9
301.18027	1.2
319.19131	2.9
491.34451	16.0
551.24719	2.7
551.36017	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	551.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07687	1.0
56.56564	1.2
59.01385	100.0
59.31219	1.2
59.65270	1.2
71.05814	1.1
83.35175	1.3
92.03566	1.5
149.39172	1.3
187.11874	1.4
187.13336	11.4
254.82516	1.5
285.18631	2.4
329.17542	1.6
488.19705	1.9
491.33939	33.7
520.21332	1.6
521.18286	2.3
551.25897	3.0
551.35809	12.7
551.44373	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	552.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	8.7
59.01401	1.3
61.87500	0.7
68.67901	0.7
69.20990	0.6
72.99308	27.9
119.04994	0.9
134.06097	1.1
144.04536	1.3
148.07681	4.5
162.05577	1.7
176.07188	21.8
180.06693	9.7
204.06706	8.4
222.07724	100.0
297.81497	0.7
390.84500	0.7
456.93399	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	552.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	46.1
72.99302	14.9
88.99748	1.0
119.05042	1.3
119.13741	1.1
139.04024	1.3
168.03931	1.0
190.08743	34.2
208.09802	100.0
250.10854	67.0
274.76022	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	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
73.33506	0.8
73.76153	0.9
78.95905	3.8
108.19637	0.8
116.19560	1.0
143.65800	1.1
168.04288	1.3
242.08028	2.4
277.21741	100.0
409.40103	0.9
502.29462	67.6
552.28540	1.6
573.51971	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87592	2.2
50.90378	2.4
51.36634	2.0
78.95903	12.7
98.27074	2.4
98.31953	3.1
132.98683	2.8
137.06094	2.4
152.99626	3.6
224.06947	5.7
253.21661	9.8
277.21719	100.0
277.24655	4.2
374.45160	2.7
478.29358	3.4
502.29343	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54768	0.4
59.01385	10.7
72.25986	0.4
78.95910	6.9
95.69918	0.4
96.19978	0.4
147.86116	0.4
152.99577	1.9
168.04326	3.2
224.06911	8.7
242.07915	0.9
253.21725	100.0
310.06522	0.6
363.08740	0.4
478.29401	70.0
552.10272	0.5
552.33643	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	553.078
Annotation	3'''-Hydroxyamentoflavone
Peak:m/z	Relative Intensity
51.76780	0.5
59.01385	26.0
61.70881	0.6
74.67697	0.6
83.37054	0.7
87.94275	0.6
109.02941	8.9
133.02025	1.1
133.02965	15.9
151.00308	0.8
151.04039	0.8
307.06400	2.2
309.04108	1.6
331.06155	19.9
331.19037	0.8
333.04077	2.8
343.06293	0.8
373.07211	5.0
375.05130	79.3
399.00168	0.9
399.05157	19.8
401.03024	3.9
417.06210	32.9
443.03992	2.7
553.07837	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	553.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
60.99304	6.4
65.17406	1.0
68.99252	0.9
71.01380	4.1
73.02954	4.5
75.52560	0.8
88.98804	48.3
89.02475	1.1
101.02413	1.4
121.02957	1.8
149.85335	0.9
151.00366	6.3
158.92020	0.9
178.99843	5.5
191.85268	0.9
255.02899	4.7
271.02521	11.8
274.74283	1.0
282.05356	1.0
283.89246	1.1
300.02753	100.0
301.03519	28.7
403.80652	1.1
440.86319	1.3
463.08847	88.3
553.25287	1.4
553.32367	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	553.1137
Annotation	2'',3''-Dihydroochnaflavone 7''-O-methyl ether
Peak:m/z	Relative Intensity
55.50319	1.5
57.82804	1.6
59.01387	3.0
62.49403	1.5
68.13595	1.7
75.22756	1.8
76.44139	1.8
76.63704	1.8
90.24508	1.9
114.78679	1.7
117.03486	4.5
118.80785	1.7
125.02431	1.8
154.18800	2.0
155.38597	1.7
197.68430	1.9
207.38947	1.9
239.54950	1.8
261.01279	2.0
332.06799	3.4
347.09525	2.6
359.05634	3.7
369.07825	3.8
401.10263	4.0
435.08679	16.2
437.06891	2.9
467.11353	9.3
477.09869	22.9
509.12759	8.4
553.11493	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	553.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08153	0.9
57.71421	0.9
57.84488	1.2
59.01386	31.1
63.02411	11.5
65.00323	6.4
65.77515	1.0
71.01385	5.7
73.02926	2.3
83.01389	12.1
85.02917	2.1
88.48579	1.1
88.62258	1.0
89.02455	1.6
89.14091	1.0
92.26154	1.3
93.03465	1.2
97.02928	2.0
101.02426	2.3
107.01394	29.6
113.02464	2.3
121.02975	18.4
123.04494	1.3
124.01582	1.4
125.02445	16.6
135.04538	11.1
151.00377	63.5
152.01158	35.3
169.01494	1.7
175.07651	6.0
178.99890	32.5
179.01334	1.3
180.00652	12.3
193.08673	1.9
201.05455	1.4
217.12416	1.8
225.05495	1.9
241.05054	1.9
245.11903	1.4
259.06198	9.6
263.12808	8.6
269.04559	99.0
287.05484	2.3
331.19147	7.4
377.15833	4.2
395.17197	1.7
493.24448	12.4
517.20831	9.5
553.13507	100.0
568.41901	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	553.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23348	1.5
56.97820	1.5
59.01369	2.5
78.49449	1.5
83.01390	1.6
85.02946	1.5
88.98795	2.1
89.02432	2.9
97.02925	2.1
113.02457	3.2
119.05030	1.6
121.02951	6.7
123.04502	1.9
125.02423	9.1
126.55629	1.7
129.92442	1.5
133.27733	1.8
133.71391	1.5
139.04013	3.6
145.02930	9.7
155.03482	1.8
165.01941	1.6
167.03525	25.3
179.03426	3.0
179.05597	1.8
185.06088	11.0
194.56924	1.5
197.04512	10.4
197.06134	2.4
199.07692	3.1
201.05516	1.9
203.87788	1.6
209.04578	1.8
223.07629	2.0
225.05632	3.1
227.07132	3.2
229.05066	7.6
241.05057	1.6
241.08693	2.1
251.07254	2.9
255.06535	1.6
259.06174	2.5
269.08194	3.5
271.06134	25.7
283.06131	10.1
296.10464	2.6
297.07739	3.6
301.07220	5.7
311.09058	2.4
312.10010	17.5
313.07199	100.0
325.07266	7.1
327.12222	11.6
343.08228	59.3
343.12219	3.6
355.08279	3.4
373.09158	15.2
391.13925	2.1
415.10138	7.8
433.11447	37.1
445.11429	6.7
463.12524	7.1
519.45062	1.7
553.15491	36.7
553.23248	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09248	1.0
59.01400	1.2
67.60393	1.1
70.03718	0.9
71.01376	1.9
87.00861	5.7
89.02422	1.2
93.03452	1.3
93.15508	1.0
99.00878	7.2
101.02427	1.5
106.60517	1.1
108.02160	5.1
117.01900	8.3
121.02957	5.3
122.03762	1.8
123.04515	26.1
136.05237	1.9
137.06015	1.5
148.05348	1.8
150.03304	1.3
151.04008	1.6
151.07593	1.4
157.81662	1.1
165.05530	2.3
167.03487	6.5
175.03969	1.4
176.04756	4.2
177.05612	1.8
179.07121	10.0
191.07147	21.7
192.04359	6.0
195.06639	1.9
203.38177	1.0
207.06635	52.4
209.08173	1.1
219.06667	5.7
223.06187	4.2
250.46722	1.1
256.52216	1.4
269.64505	1.1
299.60480	1.2
315.12421	10.0
327.12512	1.6
343.11783	5.1
391.14005	5.1
417.82758	1.5
553.19299	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09248	1.0
59.01400	1.2
67.60393	1.1
70.03718	0.9
71.01376	1.9
87.00861	5.7
89.02422	1.2
93.03452	1.3
93.15508	1.0
99.00878	7.2
101.02427	1.5
106.60517	1.1
108.02160	5.1
117.01900	8.3
121.02957	5.3
122.03762	1.8
123.04515	26.1
136.05237	1.9
137.06015	1.5
148.05348	1.8
150.03304	1.3
151.04008	1.6
151.07593	1.4
157.81662	1.1
165.05530	2.3
167.03487	6.5
175.03969	1.4
176.04756	4.2
177.05612	1.8
179.07121	10.0
191.07147	21.7
192.04359	6.0
195.06639	1.9
203.38177	1.0
207.06635	52.4
209.08173	1.1
219.06667	5.7
223.06187	4.2
250.46722	1.1
256.52216	1.4
269.64505	1.1
299.60480	1.2
315.12421	10.0
327.12512	1.6
343.11783	5.1
391.14005	5.1
417.82758	1.5
553.19299	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	553.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71566	1.4
59.01382	20.9
71.01381	1.9
71.91323	1.1
72.27534	1.2
73.02958	1.9
99.69970	1.4
101.02435	1.9
105.01930	1.5
113.02453	1.3
121.02918	5.7
122.03725	15.3
133.02921	2.2
135.04543	16.1
136.01633	12.2
136.05278	3.1
137.02441	3.0
149.02434	26.7
150.03223	57.0
151.04015	29.8
153.97621	1.6
159.70383	1.4
163.03986	6.1
164.04797	8.2
165.05562	60.8
172.05286	2.1
175.04002	7.6
180.04311	2.9
181.08656	2.2
189.05550	2.7
190.06375	18.2
195.06635	20.5
284.06906	1.8
285.07745	2.0
299.09232	3.1
327.12473	3.3
331.19153	27.6
339.12152	1.4
342.11005	1.8
353.10025	2.3
357.13422	23.0
364.75272	1.5
460.15131	1.9
475.17526	2.9
493.24368	10.2
505.18726	100.0
505.26312	3.2
553.19910	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Cerberalignan D
Peak:m/z	Relative Intensity
55.01874	2.8
59.01383	41.0
61.03849	2.7
73.27319	2.2
83.01381	74.7
99.31817	2.3
121.02974	21.7
122.03724	28.0
123.04496	14.8
129.51512	2.4
133.02917	10.2
134.03738	4.7
136.05327	12.3
137.06058	19.0
145.02950	12.9
146.03725	4.4
147.04518	15.3
149.02385	16.9
149.06047	10.6
150.02101	4.0
150.03227	85.0
151.04062	3.0
160.05399	2.8
161.06100	10.0
164.04770	10.5
165.05563	77.0
195.06628	21.9
207.06519	2.8
209.08141	5.2
221.08168	9.3
222.70242	2.8
227.68985	2.7
227.71506	2.6
238.96400	2.5
270.09064	10.9
285.11359	2.8
327.11417	2.6
342.11029	15.1
343.11786	12.0
357.09369	4.2
357.13489	89.4
411.14529	16.8
426.20209	2.7
505.11752	5.5
505.18741	100.0
517.18561	26.7
535.19745	37.2
553.20703	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Physalin V
Peak:m/z	Relative Intensity
54.20490	1.6
59.01102	3.0
59.01383	72.9
67.82352	1.5
76.84355	1.7
82.57101	1.8
92.20138	3.6
97.02928	2.8
98.01397	1.8
121.02074	3.5
121.02950	100.0
136.05293	2.4
137.06093	15.5
189.32520	2.1
200.51134	2.2
253.12338	2.8
291.97232	1.8
311.12793	6.7
431.17047	10.9
435.30954	2.3
482.41525	2.0
493.18680	8.3
493.35617	3.1
553.11401	6.0
553.20709	76.3
553.29120	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	553.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71566	1.4
59.01382	20.9
71.01381	1.9
71.91323	1.1
72.27534	1.2
73.02958	1.9
99.69970	1.4
101.02435	1.9
105.01930	1.5
113.02453	1.3
121.02918	5.7
122.03725	15.3
133.02921	2.2
135.04543	16.1
136.01633	12.2
136.05278	3.1
137.02441	3.0
149.02434	26.7
150.03223	57.0
151.04015	29.8
153.97621	1.6
159.70383	1.4
163.03986	6.1
164.04797	8.2
165.05562	60.8
172.05286	2.1
175.04002	7.6
180.04311	2.9
181.08656	2.2
189.05550	2.7
190.06375	18.2
195.06635	20.5
284.06906	1.8
285.07745	2.0
299.09232	3.1
327.12473	3.3
331.19153	27.6
339.12152	1.4
342.11005	1.8
353.10025	2.3
357.13422	23.0
364.75272	1.5
460.15131	1.9
475.17526	2.9
493.24368	10.2
505.18726	100.0
505.26312	3.2
553.19910	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78788	0.9
59.01387	100.0
105.74850	1.1
433.22272	1.8
443.63889	1.1
493.24475	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	553.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
57.00630	0.7
59.01385	100.0
60.82067	0.7
62.73881	0.7
83.72400	0.8
89.37756	0.7
93.88306	0.9
102.94971	0.8
105.24245	0.7
107.61317	0.9
128.60049	0.8
144.79817	0.9
194.87849	0.8
220.77748	0.7
223.75970	0.8
289.44733	0.8
433.30655	0.8
434.88232	0.8
553.26733	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	553.2661
Annotation	Salviadienol B
Peak:m/z	Relative Intensity
52.48137	0.8
55.24606	0.8
59.01388	100.0
64.90530	0.8
70.80377	0.9
71.01391	14.0
73.02944	5.5
74.54260	0.9
83.01384	1.9
85.02958	7.4
89.02453	15.2
99.00873	1.8
101.02445	20.2
113.02459	9.0
119.03513	6.7
121.02908	1.1
125.02444	0.9
161.04553	1.5
179.05595	1.5
331.19232	9.3
347.22363	1.0
357.03616	1.1
382.65802	1.0
452.66483	1.1
493.24493	71.5
553.18390	16.2
553.26788	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	553.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05986	0.7
59.01387	100.0
73.02950	0.9
145.34991	0.8
310.96124	1.0
380.87518	0.7
438.65155	0.8
496.55069	0.9
553.20795	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	553.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26001	0.8
59.01386	100.0
65.47827	1.0
73.02944	4.5
78.39893	0.9
115.33048	1.2
204.63295	1.1
207.27335	1.0
451.23581	1.3
480.72876	1.1
482.66861	1.1
553.27228	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	553.3021
Annotation	PF1070B
Peak:m/z	Relative Intensity
53.40202	0.4
59.01374	0.5
64.30846	0.4
77.35178	0.4
82.03315	0.5
91.66640	0.5
93.97113	0.5
116.92840	3.8
137.02417	0.8
147.04503	0.9
150.03221	38.9
153.01875	3.7
165.05556	17.5
191.03502	1.0
194.02205	64.6
204.51204	0.5
209.04558	100.0
247.21825	0.5
368.89389	0.5
444.73825	0.6
489.66571	0.5
553.30212	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55989	0.4
52.24949	0.5
59.01104	0.9
59.01384	20.6
71.01382	8.1
73.02945	4.1
81.74712	0.5
83.01358	1.2
85.02924	2.3
87.00829	0.5
88.98811	1.1
89.02440	9.9
95.01368	0.5
101.02435	11.9
113.02455	5.7
119.03457	2.8
125.02437	0.8
133.77866	0.5
155.10771	1.0
163.04007	1.1
180.07956	0.8
194.05838	0.9
195.06630	1.3
199.09779	0.8
212.06847	0.6
267.19348	0.7
271.06085	0.9
286.08630	0.7
301.10791	2.1
315.21704	1.3
316.12997	0.7
328.13239	2.4
331.15588	5.6
343.15503	2.6
343.24899	9.0
355.24768	0.8
361.16574	14.6
361.25934	18.3
373.25974	2.3
390.12814	0.7
391.13492	1.3
391.17676	3.7
391.27182	0.8
463.09534	0.5
505.29922	3.9
517.30597	0.6
523.31268	26.3
535.31250	12.7
553.18726	2.6
553.32355	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	553.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.3
64.13281	0.5
70.95754	0.6
71.01382	8.9
73.02956	4.9
73.56621	0.6
74.99746	0.5
85.02943	3.5
89.02438	7.8
101.02454	10.3
113.02442	5.0
113.94143	0.7
119.03488	4.6
120.14533	0.7
123.04550	5.2
123.05315	0.7
137.09711	1.0
151.07635	0.7
155.10739	0.7
181.08775	0.9
191.05602	1.2
275.66272	0.7
331.19092	1.3
343.25043	5.8
361.25995	18.1
373.25867	4.9
409.25827	0.8
410.02231	0.7
505.30508	3.3
523.31299	28.7
535.31244	11.2
553.18701	4.3
553.32379	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	553.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29293	0.7
55.06147	0.8
57.03443	1.2
58.00620	0.8
59.01384	46.3
61.98824	2.1
71.01382	14.6
73.02927	8.6
83.01405	1.2
84.18325	1.0
85.02946	7.2
87.00920	1.1
89.02442	17.1
95.01392	1.1
99.00859	1.2
101.02429	17.4
113.02444	10.6
116.92849	18.7
117.12049	0.8
119.03504	7.6
121.02962	1.9
123.04533	4.0
125.02412	2.1
150.03244	1.3
163.07642	1.1
165.05566	1.6
167.03581	1.1
179.05562	1.0
195.06619	6.9
197.11949	1.6
203.07176	1.8
205.08725	1.3
241.04968	0.9
241.10857	1.4
249.38066	0.9
273.11081	0.9
315.08640	2.0
331.19321	2.0
343.24924	4.0
347.15088	2.0
355.24994	1.4
361.26016	15.5
373.12857	1.6
373.25845	10.2
391.27075	10.5
403.16272	5.2
435.13269	1.3
493.24017	6.8
505.17526	1.7
505.30551	1.5
523.31055	14.2
535.31073	6.1
553.20428	7.1
553.32556	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	553.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81945	0.4
59.01386	100.0
61.87004	0.5
69.94141	0.5
73.84095	0.5
77.62578	0.6
102.83647	0.5
117.00616	0.5
125.01185	0.7
132.21039	0.6
171.13882	0.9
216.42191	0.6
301.53348	0.7
337.17664	0.5
439.32568	0.7
475.34396	0.6
493.35373	2.7
553.37555	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	554.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29001	0.8
53.45734	0.7
58.55179	0.7
59.01377	5.2
61.98837	100.0
67.51427	0.7
75.41746	0.7
105.66457	0.8
134.02823	0.8
140.10219	0.8
163.14592	0.7
311.16516	29.8
313.66479	0.8
329.13904	1.5
329.17639	32.4
332.19171	1.0
357.40591	0.8
469.55350	0.9
491.22879	48.5
494.24561	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15210	0.4
55.21388	0.5
55.21700	0.4
59.01379	0.7
61.05603	0.5
78.95905	2.1
86.39796	0.5
103.29805	0.5
168.04344	0.7
224.07022	1.5
239.98470	0.5
242.07961	2.2
279.23309	100.0
416.61945	0.5
504.31024	47.0
554.30225	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	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10549	0.5
59.01391	0.5
78.95913	8.2
87.31537	0.5
92.19447	1.3
152.99567	3.3
168.04332	3.2
190.34093	0.7
196.83611	0.5
211.65176	0.7
224.06934	9.1
242.07971	0.9
251.51541	0.5
264.34598	0.6
279.23309	100.0
308.47299	0.6
363.76685	0.6
483.94058	0.6
504.31015	67.8
554.30450	2.2
556.47137	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	554.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.6
60.01712	2.3
61.01805	2.1
61.98835	100.0
126.92142	0.9
210.99161	1.2
242.81999	1.0
313.12247	1.1
494.34756	2.0
554.36902	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	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
66.95588	1.0
78.95935	1.1
91.73616	1.1
125.34830	1.1
136.51921	1.2
146.61372	1.2
155.44043	1.3
203.71820	1.3
255.23299	100.0
443.80600	1.2
480.30984	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.5
64.51637	0.3
71.31296	0.3
78.95904	8.2
97.71495	0.3
120.02435	0.3
144.13921	0.3
152.99580	3.2
168.04312	2.5
224.06970	7.3
242.08006	1.3
255.23303	100.0
259.90775	0.3
282.23227	0.4
326.86874	0.3
350.79733	0.3
355.64972	0.3
480.30994	60.2
554.34705	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	555.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84954	1.0
54.44757	1.0
55.28965	1.0
56.33875	1.0
58.83289	1.1
65.07580	1.1
69.26875	1.1
88.86384	1.2
99.04636	1.4
117.03463	62.9
158.03694	1.3
162.84447	1.2
199.61986	1.3
269.08142	1.9
323.05286	1.6
331.05890	1.6
359.05527	8.6
365.06680	2.9
381.07742	9.1
396.10327	1.6
409.07178	13.2
423.08755	3.1
424.09601	41.4
436.05807	7.0
440.08932	1.7
451.08276	8.7
467.07892	2.0
468.08420	5.8
479.07690	9.7
483.11029	14.6
511.10376	100.0
555.10944	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	555.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70192	0.4
68.89918	0.4
84.42658	0.5
87.00875	11.6
98.99374	0.7
101.00932	1.8
109.02959	0.6
111.00909	0.8
125.00930	7.4
125.56049	0.5
126.98875	20.0
127.00102	2.9
141.00439	2.4
142.98471	0.5
143.02010	0.4
144.99950	6.3
151.00154	0.7
153.00397	0.6
156.73582	0.5
168.33742	0.5
168.99933	100.0
180.99927	1.8
183.01582	0.6
187.01003	2.2
191.02013	0.6
194.97713	0.5
195.01546	2.4
199.00986	0.8
211.01048	2.0
212.98607	2.2
213.00510	6.6
213.03882	0.5
230.99954	21.3
243.03616	5.7
254.99971	0.7
268.30005	0.5
273.00986	11.2
285.01132	0.7
303.02084	7.4
333.03232	4.6
357.03250	0.8
372.90347	0.5
375.04312	2.7
393.05402	6.2
451.09427	4.1
555.10754	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	555.165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	2.6
59.01385	66.9
61.98835	2.7
71.01379	19.8
71.52613	1.3
73.02932	5.5
83.01396	30.0
85.02940	6.8
88.98819	3.1
89.02440	27.6
92.19417	1.6
92.78971	1.4
97.26133	1.4
101.02440	15.7
109.02943	2.2
113.02479	10.3
118.97860	1.6
119.03472	8.3
121.02943	6.7
122.03763	3.6
123.04488	6.3
125.02411	2.5
137.02467	1.6
137.06102	8.4
149.06053	2.3
150.03154	1.8
151.04028	2.3
161.04524	2.2
165.05516	2.6
169.05040	2.0
179.05620	7.5
221.08154	5.4
298.11877	1.9
311.09427	2.0
315.19666	9.3
333.20636	17.3
342.11072	7.6
345.13440	1.9
357.09821	6.7
357.13464	100.0
374.92664	1.6
477.24887	21.9
495.25995	51.4
519.19177	28.3
555.20886	12.1
555.28888	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2242
Annotation	Ehletianol C
Peak:m/z	Relative Intensity
50.21511	2.1
59.01373	13.9
60.66451	1.9
61.98849	5.4
62.52499	1.9
68.13023	2.2
70.76416	2.1
73.42299	2.4
82.56690	2.0
101.02425	3.0
101.09334	2.6
118.90351	2.3
121.02904	3.2
122.03747	3.0
123.04570	3.2
134.03717	2.0
137.02451	2.4
139.82936	2.1
154.27809	2.5
161.02441	5.4
162.03238	25.1
163.04051	15.6
166.06358	54.0
168.16714	2.0
174.03246	11.1
175.04076	3.4
176.04741	5.0
177.05585	4.5
179.03496	3.6
181.08720	37.7
187.04076	2.5
189.05661	4.3
190.06245	3.0
192.04317	4.5
193.05243	2.3
194.02228	3.1
202.72343	2.3
255.06488	3.6
265.05161	3.3
266.05896	3.4
268.07489	2.7
280.07428	13.8
281.08136	3.0
283.06305	15.8
295.06293	3.2
295.71851	2.4
297.07690	3.6
298.08493	45.6
299.09238	4.5
305.16153	2.6
309.07776	3.6
310.08423	5.3
313.07471	3.2
313.10785	17.9
325.10919	3.2
328.09393	8.9
343.11890	24.8
495.19833	15.6
495.26645	6.1
525.21381	100.0
537.21454	9.8
555.22266	41.8
555.28510	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	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.2
59.31041	2.8
66.73289	3.0
70.13112	2.9
76.79175	3.0
78.76308	3.2
86.01877	2.9
89.47356	2.8
92.19427	4.6
101.02432	4.3
127.19547	3.2
147.46103	3.3
149.02425	49.9
150.03227	61.8
153.45326	4.1
162.12653	3.5
164.04829	26.3
165.05569	100.0
174.85809	3.1
180.04358	3.9
195.06647	26.7
219.11931	2.9
269.11746	4.2
286.77496	3.3
297.11282	13.8
299.12881	3.4
310.08557	3.4
311.09335	3.6
311.12885	4.3
314.11670	3.9
329.13855	16.1
341.13684	4.1
394.68845	3.2
431.15018	12.2
433.16357	5.2
462.16760	6.4
477.19241	7.4
495.25961	5.1
507.20233	80.8
528.67963	4.2
555.22137	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2241
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
59.01108	2.5
59.01386	52.5
71.01379	14.1
71.01714	1.5
73.02953	6.8
80.02745	1.5
83.05023	2.6
85.02961	3.9
85.09214	1.5
85.49912	1.5
89.02459	12.9
89.33511	1.7
92.20036	2.3
101.02444	8.6
108.02191	1.9
109.02914	6.5
113.02441	6.8
119.03478	3.5
121.02956	2.4
122.03710	3.8
123.04534	8.6
133.02956	4.0
135.04555	2.6
149.02440	14.8
150.03218	95.3
151.04010	18.1
159.04442	3.4
164.04799	11.5
165.05569	100.0
169.05023	8.0
173.06056	2.9
179.05615	2.4
180.04269	10.6
181.05049	6.9
191.07101	1.6
195.06609	31.5
255.06700	1.9
297.07654	3.7
313.10867	16.2
329.10245	2.6
333.20615	4.1
344.12692	26.1
345.13556	2.5
359.14996	31.7
365.51831	1.8
431.15540	2.1
443.14706	2.2
447.14719	3.5
461.16104	15.2
477.15543	3.2
495.25421	23.7
507.20276	98.7
555.22034	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17779	0.8
59.01107	1.5
59.01387	31.1
59.03245	0.9
70.64310	1.0
71.01376	9.3
72.31313	0.9
73.02932	1.0
79.34715	0.9
80.42052	1.0
85.02967	3.6
86.13242	0.9
86.85987	0.9
89.02445	7.7
101.02435	9.5
113.02431	5.2
119.03511	2.1
122.03752	1.7
133.02972	1.2
149.02483	7.3
150.03220	74.5
161.04575	1.9
164.04794	6.6
165.05563	100.0
166.06313	1.7
179.05568	2.2
179.06995	1.1
180.04269	7.0
181.08733	2.2
195.06630	48.6
240.04216	1.2
269.08105	1.0
295.06122	7.3
297.11319	2.4
298.08463	3.9
299.09299	1.3
310.08502	2.5
311.09250	5.2
313.10858	1.8
314.11456	7.8
315.19812	1.7
325.10748	1.9
326.11542	6.0
329.13953	17.5
333.20773	6.7
341.14117	8.4
370.34875	1.2
373.13065	1.2
407.36566	1.1
477.19125	2.2
477.25162	2.2
495.26062	24.6
507.20209	19.3
513.26593	1.2
525.21252	7.1
537.21088	5.3
555.21179	17.3
555.28766	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	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05959	0.3
59.01376	0.5
67.81683	0.3
71.01382	1.9
78.29182	0.3
78.68531	0.4
85.02975	0.5
89.02431	0.3
92.19451	0.4
97.64114	0.4
99.96059	0.3
101.02434	0.7
113.02480	0.7
115.64068	0.3
121.02953	100.0
135.04520	0.6
212.41481	0.3
221.13780	0.4
289.16650	0.6
433.20468	1.1
555.24615	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	555.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98736	69.2
54.07618	64.7
58.12101	71.0
58.49243	63.5
67.57115	73.0
104.08299	74.4
105.86459	88.7
131.30048	93.7
132.20381	79.5
158.87291	82.1
287.64883	100.0
399.43146	80.4
458.56470	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2816
Annotation	Viteoside A
Peak:m/z	Relative Intensity
53.42221	1.9
56.85807	2.1
57.68948	2.0
59.01388	46.3
61.98833	8.8
71.01383	10.7
72.99288	3.4
73.02929	4.3
75.00874	34.7
81.08093	2.3
82.36599	1.9
87.00862	2.2
88.98795	2.4
89.02453	20.1
94.13879	2.5
101.02441	5.9
109.02978	3.3
113.02423	4.5
119.03477	4.0
179.05589	9.9
202.99773	3.1
225.05618	20.1
254.06000	2.5
254.90849	2.5
263.89252	2.7
333.20764	56.5
347.22266	2.8
349.19608	4.6
349.23874	100.0
375.21790	5.7
403.08029	3.0
429.06116	11.7
444.46646	2.8
474.63480	2.7
495.25784	22.9
555.09552	17.2
555.28168	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2814
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
51.27700	0.7
53.33658	0.8
55.01880	1.6
57.03458	1.1
59.01385	76.3
70.07455	0.8
71.01380	25.7
73.02937	13.5
76.40347	0.8
83.01380	4.2
83.05024	1.5
85.02950	13.3
87.00878	1.5
89.02451	12.1
95.01400	1.7
95.95768	1.0
96.46081	1.0
99.00896	2.2
101.02443	34.3
113.02436	14.4
119.03453	1.9
123.04413	0.9
143.03503	1.1
161.04532	6.3
257.15579	1.0
285.18628	1.2
315.19608	6.8
317.17712	2.3
333.20712	43.1
349.13174	1.1
495.25998	100.0
536.13470	0.9
555.20270	7.3
555.28217	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2817
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
53.51392	1.3
59.01385	92.6
71.01377	31.7
73.02948	7.4
75.00870	1.6
83.01376	3.7
85.02494	1.6
85.02933	12.4
87.77561	1.9
89.02435	16.6
101.02453	23.4
110.62481	2.0
113.02453	16.1
116.97501	1.6
119.03497	3.3
124.36794	1.8
156.83627	2.0
161.04546	8.9
179.05595	1.9
285.17966	1.5
315.19650	1.8
333.20718	26.4
495.26016	100.0
555.28107	16.2
555.35394	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	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.96301	0.5
56.66015	0.5
71.01380	2.9
73.02932	0.7
78.98593	3.5
79.95744	2.9
80.93534	0.4
80.96519	33.3
81.03442	1.2
85.02940	1.1
85.27533	0.4
87.00857	2.0
94.98079	10.5
95.81339	0.5
96.96035	0.5
97.02935	0.7
101.02426	2.7
106.98096	1.9
107.43938	0.5
122.97567	2.6
125.02419	2.8
127.03987	0.9
134.97592	4.2
136.99152	1.0
146.97539	0.5
148.99147	6.4
152.98613	6.5
164.98604	15.8
167.00154	0.6
171.91002	0.5
206.99666	2.3
225.00749	19.3
251.60068	0.5
255.23262	3.0
299.04431	4.1
555.28467	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	555.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.34391	1.0
60.14382	1.1
61.55287	1.1
71.01379	5.0
71.57559	1.1
73.02981	1.1
78.98576	4.8
79.95733	2.0
80.96517	46.3
81.03451	1.3
85.02947	1.3
87.00826	1.3
88.18307	1.1
88.97520	1.3
91.98860	1.1
94.98090	14.3
101.02451	1.6
106.98067	1.4
116.92807	1.5
119.65451	1.2
122.97575	2.0
125.02415	4.5
127.03949	1.4
134.97577	5.1
140.05011	1.2
148.99107	6.1
152.98615	10.5
164.98640	16.9
168.13206	1.1
206.99715	2.6
225.00740	23.9
246.81812	1.3
255.23299	2.1
258.74005	1.2
299.04449	2.5
330.13779	1.2
348.05234	1.2
454.19537	1.4
555.28467	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	555.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69516	1.4
55.60127	1.4
60.88553	1.3
61.91655	1.4
71.01357	3.8
73.02946	1.5
73.08519	1.5
78.98589	3.3
79.95746	1.4
80.96084	2.5
80.96523	43.8
87.00861	2.4
94.98104	11.9
96.95989	1.5
106.98104	2.5
122.97563	2.3
125.02404	1.8
134.97552	3.6
148.99084	7.0
152.98598	6.3
164.98622	15.3
167.35603	1.7
225.00676	21.1
299.04413	3.0
555.28448	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	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36998	0.6
54.54927	0.7
54.65092	0.7
57.03458	1.1
59.01383	16.5
71.01373	5.1
73.02946	5.0
83.05024	26.4
85.02951	11.0
87.00872	5.2
87.04501	3.8
88.98805	4.0
89.02441	4.7
95.04999	1.8
99.04498	3.4
101.02442	4.6
101.06087	4.2
113.02485	1.1
113.06087	6.8
113.46776	0.9
120.30812	0.9
127.60767	0.8
128.09679	1.0
131.07141	4.1
139.07637	5.2
149.06041	1.2
167.07169	1.8
175.09763	59.4
179.05682	1.1
231.13937	0.9
273.14972	1.1
301.18130	6.4
304.49536	1.0
319.19061	7.8
323.09741	1.3
361.20206	1.8
363.14435	1.4
367.22687	1.3
392.64618	0.9
472.81793	0.9
474.36072	0.9
477.28638	1.1
479.26279	1.3
495.29785	100.0
555.13641	4.9
555.20526	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	555.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08675	0.7
59.01386	100.0
65.79739	0.7
71.01353	1.4
73.02979	0.8
75.00862	1.6
75.77020	0.9
77.36344	0.7
86.97123	0.9
89.02423	0.9
90.71450	0.8
101.02478	1.0
107.28018	0.8
108.79184	1.0
233.93222	0.9
234.02080	0.9
301.83105	1.0
333.20673	12.3
403.04660	6.7
404.05661	0.9
430.32663	0.9
464.14911	0.9
495.25800	6.3
555.09503	11.1
555.28625	1.9
555.35419	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	555.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63033	0.9
61.04908	0.8
61.98822	1.3
65.95122	0.9
78.98617	0.7
78.99285	0.9
79.95753	1.1
80.96517	13.5
87.00868	1.2
94.98069	6.1
97.67856	0.8
97.74636	0.9
116.92847	0.9
125.02427	4.0
127.11269	1.1
134.97552	1.6
148.99153	1.0
152.98634	3.8
164.98596	5.6
182.99619	1.1
225.00725	11.6
241.21802	1.0
255.23318	2.2
256.23627	1.2
267.19641	15.8
269.21210	17.9
285.20703	95.1
287.22263	60.2
299.04041	1.4
492.30734	1.1
555.28925	37.7
555.42627	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	556.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03018	1.2
58.17857	0.9
65.34690	1.1
87.92138	1.2
92.57355	1.1
92.77234	1.2
118.36096	1.1
128.10806	5.6
130.08731	94.0
132.03043	6.5
149.45058	1.2
172.09799	100.0
216.08786	8.1
271.06039	2.3
310.94943	1.2
354.90533	1.3
423.10974	2.5
433.69418	1.3
535.67310	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	556.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60086	1.2
51.70387	1.0
58.24604	1.0
59.01386	9.3
59.78466	1.3
61.98837	100.0
71.01392	1.4
72.99303	3.3
183.90556	1.5
239.54646	1.4
239.95328	1.4
248.66911	1.3
298.79114	1.4
313.18137	58.7
317.88956	1.4
331.19147	78.2
333.20593	2.2
334.21118	7.9
493.24478	90.1
496.26407	7.6
556.09406	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	556.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77554	0.4
59.01385	7.1
60.01706	0.9
61.01817	0.5
61.80455	0.4
61.98836	100.0
86.60250	0.4
166.10208	0.5
253.79568	0.5
335.11972	0.5
505.32855	0.5
535.37170	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	556.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18539	1.0
59.01380	11.9
60.26156	1.0
61.98836	100.0
66.99150	1.1
71.01381	5.0
85.02936	1.3
89.02412	2.4
92.20011	2.0
101.02431	4.9
157.35875	1.1
211.40685	1.4
241.74055	1.0
313.18121	71.4
331.19165	66.5
334.20981	1.9
493.24478	89.5
496.26276	20.5
515.38867	1.2
556.28265	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	556.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98837	100.0
62.27032	0.7
83.78228	0.7
95.67675	0.6
109.35292	0.6
129.47586	0.7
153.23772	0.8
165.05540	0.9
301.18185	1.7
313.17941	1.1
331.19165	39.4
493.24423	31.3
556.09833	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	556.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58034	0.7
59.01376	1.7
61.98836	100.0
62.83768	0.8
75.00861	0.9
80.64548	0.8
96.09142	0.8
120.65516	0.8
125.02421	1.0
157.41083	0.8
172.91495	0.9
284.20786	1.0
331.19067	3.4
333.20721	1.1
334.20938	4.5
358.26810	4.5
375.21579	1.3
493.24231	4.1
512.29785	1.0
556.29938	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	556.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38269	0.7
61.98840	100.0
69.65853	0.9
76.60323	0.8
81.65102	0.9
102.54661	1.2
114.12270	0.9
147.04565	2.4
148.04918	1.1
164.67816	0.9
203.34914	0.9
231.80942	1.0
247.80737	1.0
291.76498	1.1
314.84937	1.1
331.19223	41.4
334.21100	1.5
471.19360	1.1
493.24512	31.2
556.25500	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	556.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90176	0.6
59.01386	4.8
60.01715	0.9
61.98839	100.0
64.37965	0.7
65.11171	0.6
66.31055	0.6
67.41018	0.6
84.49004	0.7
85.02944	2.9
97.06593	9.6
98.06920	4.1
120.66924	0.7
172.03937	0.8
173.11810	6.3
174.12148	5.3
175.12357	3.2
190.05133	0.7
302.18295	0.8
321.19861	0.8
322.19946	1.3
364.61563	0.8
494.32260	3.5
495.32437	3.3
496.32773	20.4
556.34778	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	556.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28569	0.3
65.92684	0.4
69.48479	0.3
78.95888	2.8
79.37960	0.4
94.42465	0.5
152.99605	0.8
168.04263	1.6
183.89627	0.4
224.06906	0.9
242.08006	2.4
281.24872	100.0
303.93576	0.4
405.51907	0.4
506.32559	41.9
545.80103	0.5
556.32312	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	556.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80072	0.8
54.77639	0.9
78.95912	7.4
152.99565	2.2
224.06938	9.6
281.24866	100.0
287.22287	3.9
288.22638	2.4
506.32547	61.7
556.29169	2.0
556.42822	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	556.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
60.89582	0.9
61.98837	100.0
66.88836	0.9
68.10777	0.9
92.19421	1.8
100.97264	0.8
334.20892	1.2
374.17850	1.0
419.69366	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	557.1103
Annotation	GB-2a
Peak:m/z	Relative Intensity
50.60889	0.8
53.11001	0.9
55.31701	0.8
55.90712	1.0
58.84522	0.9
59.01374	1.7
71.53762	0.8
72.04592	0.9
75.97948	0.8
92.19465	1.5
93.03419	1.1
121.02916	1.3
122.03667	0.9
123.04507	1.1
125.02432	1.7
137.02437	3.8
149.06015	1.1
150.03203	1.3
164.01169	5.1
165.01903	2.1
165.05595	2.3
199.03799	1.2
199.39610	0.9
201.09407	0.9
243.02983	5.7
253.05067	5.0
255.03067	3.9
267.03043	1.2
271.06128	3.8
285.04065	100.0
295.02368	1.9
321.93600	1.0
361.07126	3.7
361.16568	1.1
377.06616	1.4
482.47867	1.0
497.20114	1.0
497.27512	1.1
509.21759	3.8
518.49719	1.0
527.21759	1.8
539.10181	13.0
557.10925	46.3
557.23590	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	557.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13161	1.4
51.17984	1.6
56.42459	1.5
57.01343	1.6
59.01387	100.0
61.98831	13.3
71.01382	36.0
73.02933	10.4
74.20943	2.0
80.36906	1.9
83.01401	1.9
85.02953	9.3
89.02437	34.7
95.01446	1.7
96.12138	2.2
99.00876	2.2
101.02447	31.9
113.02433	17.3
118.19486	1.9
119.03498	17.2
121.03000	4.0
135.04538	13.4
145.02921	2.2
149.00462	1.8
153.09230	7.5
161.04585	7.2
165.05627	3.4
174.33376	1.9
179.05580	14.6
190.40298	2.0
204.86224	1.9
335.22366	4.3
341.13641	3.2
359.11343	7.6
405.06018	2.1
446.50726	1.9
479.26590	2.6
491.56033	2.1
497.27655	69.1
521.20374	12.3
557.16998	21.5
557.30133	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28597	4.0
59.01377	28.7
61.98818	21.2
63.24218	4.1
69.03214	4.5
85.64113	4.3
88.36005	5.1
121.02953	100.0
262.99997	5.4
278.85672	4.8
286.89474	4.9
331.15073	5.2
557.20355	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	557.2241
Annotation	Lobetyolinin
Peak:m/z	Relative Intensity
59.01107	1.9
59.01386	46.4
61.98816	2.8
63.67466	1.1
71.01391	14.5
73.02940	7.1
73.40199	0.9
83.01385	4.4
85.02942	7.7
87.00871	4.5
89.02435	17.3
97.02956	1.3
101.02431	18.4
105.01947	1.3
113.02424	11.6
116.35037	1.1
119.03473	5.3
123.04566	1.3
123.15396	1.0
137.02370	1.2
137.09721	20.0
145.02948	19.5
146.03732	1.4
147.04489	4.4
152.23553	1.2
155.10777	100.0
161.02441	9.7
161.04515	2.5
162.03220	25.6
163.04039	5.9
164.01123	1.6
165.05513	2.0
169.12332	14.5
177.02103	1.7
177.05556	4.8
179.05623	5.5
179.07066	1.8
179.10764	7.5
180.04353	1.8
181.08736	11.8
188.22377	1.4
195.06635	11.2
197.11809	4.4
199.09775	45.1
223.09752	9.8
241.10811	11.4
269.04593	5.3
283.37836	1.3
301.12888	5.0
324.02722	1.8
330.10779	1.8
335.22195	5.2
356.51657	1.3
357.13724	8.5
361.15509	1.4
364.85013	1.2
394.31683	1.4
431.07782	2.8
479.26392	4.4
497.27542	35.1
509.21426	2.0
524.91388	1.2
539.21350	44.5
557.10376	2.8
557.12653	3.0
557.22516	94.2
557.30145	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	557.2242
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
57.03439	1.1
59.01107	1.8
59.01387	43.3
61.98825	1.5
69.15763	1.4
70.15950	1.2
70.19638	1.3
71.01382	14.9
73.02945	5.5
83.01366	2.7
85.02937	3.1
89.02444	18.7
92.20102	2.3
94.20020	1.4
101.02431	14.3
113.02467	9.0
119.03508	9.6
121.02976	1.5
125.86028	1.6
125.96677	1.3
135.04503	1.7
137.09724	17.4
145.02959	21.9
146.03691	1.6
146.61888	1.3
147.04507	6.8
155.10789	92.6
161.02510	9.2
161.04539	1.8
162.03214	27.5
163.04044	7.1
165.05531	1.4
169.12344	10.9
177.05560	5.6
179.05544	2.3
179.10721	6.6
180.04231	2.4
181.08719	11.2
190.97777	1.5
195.06584	10.6
197.11919	2.0
199.09769	36.7
223.09837	9.3
241.10793	8.4
255.02968	2.0
269.04520	2.3
271.05875	1.3
296.03409	1.4
301.12842	2.8
330.11176	5.6
335.22281	6.7
345.13315	2.6
357.12918	6.3
361.14984	1.8
406.07709	1.3
431.07315	2.9
497.27802	24.2
509.21671	6.9
519.19067	1.9
539.21478	38.3
557.22571	100.0
557.29980	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	557.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73237	1.0
59.01385	20.3
71.01379	5.9
73.02927	1.8
73.93002	0.9
89.02436	7.1
91.23098	1.1
93.20518	1.1
101.02439	6.5
113.02455	2.7
121.02946	4.5
122.03736	1.9
133.03009	1.4
137.02454	5.8
139.04117	1.4
149.01248	2.4
149.02435	63.4
150.03226	37.1
153.05695	1.4
161.04584	1.5
164.01137	15.8
164.04794	19.8
165.01920	4.9
165.05568	52.9
166.06354	38.6
167.07173	10.5
177.01869	1.2
179.05525	1.6
180.04277	4.8
181.08728	38.6
189.01848	1.4
195.06601	16.6
263.30200	1.3
269.04510	5.4
271.06116	7.2
281.04453	1.6
283.09692	1.4
285.03964	6.5
294.59561	1.3
309.04080	1.4
311.12930	1.6
312.10126	2.1
313.10968	9.7
327.12369	4.5
335.22281	6.7
421.09097	1.5
431.07669	1.5
494.19397	2.4
497.27557	22.1
509.21799	100.0
513.12000	1.3
557.11212	8.8
557.23816	10.6
557.31189	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	557.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62150	0.9
52.70785	1.0
53.57921	0.9
54.88947	1.1
55.53935	1.0
59.01104	2.2
59.01384	49.6
59.99723	1.1
71.01388	16.4
73.02946	2.5
73.93787	1.1
84.84208	1.5
85.02957	4.7
89.02458	15.7
101.02432	10.7
113.02428	6.6
119.03513	5.8
121.02946	2.0
122.03737	8.9
123.04487	2.4
133.02928	6.2
134.03752	2.2
145.02969	1.5
147.04468	1.3
149.02402	8.6
149.06105	5.2
150.03226	65.3
161.04550	5.0
162.03122	1.4
164.04778	5.6
165.05563	100.0
179.05617	4.9
179.07143	5.7
180.04265	7.2
192.07970	1.4
195.06615	28.3
266.06213	1.2
269.08557	1.3
325.60602	1.5
329.13931	1.6
330.81525	1.1
335.22263	2.6
346.14105	5.3
347.14777	4.8
361.16602	25.2
380.35172	1.6
415.17593	2.6
479.19888	2.0
497.27582	37.7
509.21756	28.1
521.21851	2.4
539.22675	13.4
557.22809	19.2
557.30328	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	557.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.4
58.07586	0.7
59.01376	0.9
61.74851	0.7
61.98830	3.9
68.69499	0.7
69.82417	0.7
70.34048	0.7
71.01389	0.7
79.21427	0.6
83.01396	3.6
85.66280	0.7
93.03412	3.2
97.02891	0.9
97.06448	0.7
109.02953	8.7
111.00852	1.0
116.92860	0.9
120.02159	1.0
121.02911	1.0
123.04460	4.3
124.01629	1.1
125.02426	30.5
133.02950	4.9
134.03729	0.9
135.04491	6.8
137.02438	33.5
137.03491	1.1
139.03905	0.9
145.02974	6.5
146.03717	1.1
149.02405	4.3
151.00314	5.7
153.01930	100.0
157.06555	1.1
159.04501	1.9
161.06047	4.3
164.01146	18.5
165.01866	10.7
179.03552	1.8
180.31668	0.8
183.04477	1.1
185.06068	4.8
187.03996	1.9
188.04797	1.3
199.07704	1.1
201.05655	0.9
203.07169	14.3
205.05005	3.1
209.06061	1.2
223.13490	1.2
227.07094	3.1
228.04236	1.9
243.06552	4.0
245.08139	5.4
253.05074	16.8
262.53131	0.8
271.06113	27.5
285.20688	14.7
289.07150	20.2
332.86108	0.7
403.24829	1.0
405.20502	1.2
407.24359	4.5
419.45758	0.8
495.27829	1.3
513.28577	5.0
527.26440	1.7
539.26599	10.7
557.27417	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	557.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70481	0.9
59.01391	2.1
61.98818	1.8
69.17796	1.3
72.16193	1.3
75.00873	1.2
83.01367	4.5
87.15086	1.0
93.03434	1.8
109.02933	5.6
121.02969	4.6
123.04526	2.2
125.02428	6.2
133.02943	4.7
135.04520	8.7
137.02440	22.5
149.84496	1.2
151.00380	7.0
153.01936	100.0
164.01158	25.9
165.01927	8.0
167.03641	1.4
185.06102	4.6
199.07620	1.4
201.05589	1.4
203.07204	8.2
224.93568	1.1
228.04424	3.6
243.06560	1.7
253.05096	13.6
271.06149	16.6
285.20731	8.5
289.07059	2.9
335.22061	3.2
394.26129	1.4
395.07642	2.9
403.25113	1.3
497.26828	2.2
539.26477	9.5
557.10480	1.6
557.27301	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	557.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92293	1.1
61.25527	1.1
61.56515	1.0
67.16559	1.2
97.39069	1.4
101.09472	1.5
135.98558	1.1
145.59300	1.4
158.44223	1.2
189.28754	1.3
216.46608	1.5
235.85718	1.6
279.10196	17.4
307.09839	13.3
309.11163	1.5
321.11008	1.5
322.12094	100.0
324.13705	21.9
325.14426	1.7
338.85602	1.3
361.13306	6.6
374.45166	1.4
491.35803	1.6
503.21658	17.6
504.12387	1.4
557.20795	1.7
557.28827	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	557.2974
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
50.06043	1.1
54.74025	1.1
57.94708	1.1
59.01385	100.0
64.76411	1.3
65.76897	1.3
71.01385	28.3
73.02946	9.0
75.00886	2.1
82.95108	1.4
83.01388	2.3
85.00282	1.2
85.02950	10.4
89.02444	39.9
92.84966	1.2
95.01385	1.7
99.00916	1.5
99.58691	1.6
101.02438	24.0
113.02438	17.9
119.03500	13.5
132.66618	1.4
137.09724	1.4
143.03514	2.1
155.10831	4.9
161.04526	8.6
179.05659	13.4
180.56818	1.3
194.77936	1.4
335.22220	6.4
357.13498	2.9
407.18591	2.0
479.26193	3.0
497.20172	2.7
497.27524	65.1
557.22253	4.4
557.29865	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	557.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	4.5
59.01385	100.0
68.95169	1.7
71.01385	31.0
72.98785	1.8
73.02937	8.3
83.01398	2.7
85.02953	11.5
87.00895	3.0
89.02438	27.2
92.20020	3.8
97.02959	2.3
97.06639	1.8
101.02451	28.9
113.02457	19.6
119.03493	8.1
121.02962	2.5
122.03762	4.4
125.02464	1.8
133.03001	3.1
135.04591	2.3
137.06079	2.3
137.09727	20.9
149.02432	3.7
149.06012	2.3
150.03227	59.0
151.03940	2.8
155.10785	37.0
161.04538	4.2
163.07658	7.8
164.04871	2.2
165.05579	84.6
165.09222	2.0
177.57622	2.3
179.05621	4.1
179.10786	7.0
180.04272	9.6
181.08723	2.9
195.06612	36.7
195.10233	10.1
199.09818	7.9
223.09677	3.1
241.10843	2.5
317.21021	2.4
335.22235	9.2
361.16663	15.5
497.27570	78.1
509.21289	28.7
539.21643	26.5
557.22522	69.2
557.30426	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33710	4.0
57.08208	4.6
59.01379	78.9
61.80356	3.8
71.01378	21.8
73.02921	6.2
85.02948	6.3
89.02456	33.2
89.49383	4.2
95.74581	4.4
101.02420	21.6
113.02434	10.3
131.23865	4.4
137.02428	8.6
150.03221	22.2
163.00343	4.9
164.01152	33.4
165.05579	35.4
195.06665	7.1
285.04044	22.0
310.35532	5.1
462.17868	5.2
497.27475	100.0
509.21234	26.9
557.14783	7.3
557.22070	10.2
557.29736	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	557.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01376	54.5
73.32199	4.1
74.14396	3.8
85.02972	8.0
89.02444	96.7
93.67416	4.8
101.02432	27.7
113.02442	24.6
119.03493	27.2
123.04468	5.5
145.47308	4.3
161.04541	4.5
164.01135	5.0
179.05630	67.2
267.07144	4.8
312.57657	4.3
327.12222	5.7
414.27716	4.3
495.20261	8.3
497.27634	10.1
526.11176	4.7
557.23834	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99777	0.8
53.63058	0.8
59.00906	0.9
59.01373	1.4
61.91835	0.9
61.98835	100.0
65.57437	0.9
67.41217	0.8
75.59946	1.0
81.32961	0.9
92.19418	1.3
95.95379	1.0
97.59628	1.1
120.16280	0.9
206.15640	1.1
255.23297	6.3
256.23642	8.7
257.23901	3.6
258.24216	2.2
352.84583	1.0
405.73355	1.1
480.29962	1.4
481.31393	1.3
482.31674	2.0
483.31699	7.6
557.32202	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	558.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92772	0.7
59.01379	16.5
60.01706	1.1
61.98835	100.0
66.19706	0.7
71.01367	3.3
87.00904	0.8
89.02441	6.8
92.10837	0.7
96.96010	1.9
101.02430	3.7
102.02793	0.8
113.02427	1.4
114.02701	0.8
117.60494	0.8
119.03471	1.1
142.00700	0.7
179.05655	3.3
196.29440	1.1
240.06276	0.9
387.06119	0.9
393.64331	0.9
498.27850	8.3
526.16760	1.1
558.30225	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	559.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90051	1.8
59.01382	3.3
71.01374	7.0
71.99023	1.5
77.18375	1.6
92.20130	3.7
115.00370	19.1
119.05018	22.1
133.01434	100.0
161.16330	1.9
161.72507	1.7
163.04012	33.4
185.71889	1.6
279.05060	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	559.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
71.01373	2.2
82.88234	1.3
83.01379	1.8
88.98808	1.4
89.02453	2.9
92.20057	2.8
93.03454	11.0
95.05051	6.3
97.02941	23.6
101.02441	1.5
102.29679	1.5
113.02452	1.9
119.05020	1.9
121.93599	1.3
122.03738	2.3
123.04501	8.0
124.01612	1.8
125.02436	8.8
133.02028	1.4
133.02930	13.6
134.03827	1.6
135.04509	8.1
137.02443	19.9
139.04012	13.5
141.20372	1.5
147.04507	2.9
149.02406	1.6
149.06052	2.3
150.03220	14.1
151.03874	2.4
163.00346	19.4
164.01155	14.7
165.01869	2.8
165.05545	14.4
166.02686	2.9
166.05992	11.0
176.01137	2.7
177.01936	8.4
178.02704	7.7
179.03523	8.6
179.05605	2.0
187.07651	12.6
189.05595	18.2
191.03497	8.2
196.07014	2.3
203.48120	1.7
205.01450	9.9
205.07069	1.8
205.08722	15.6
214.06351	1.4
229.08673	17.3
231.06584	3.6
255.06619	6.2
269.04642	1.8
273.07697	100.0
285.04724	1.7
285.07532	11.6
287.05099	2.8
309.07626	2.0
312.06403	10.3
313.07126	2.8
361.16382	1.9
362.16742	1.9
363.16916	2.4
419.11246	21.7
423.10956	13.1
438.93442	1.7
499.28973	10.1
511.22589	10.6
523.22339	1.9
532.82428	1.5
541.14862	6.4
541.23242	3.3
559.16809	41.1
559.24536	8.9
559.31604	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	559.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.7
63.00359	1.4
71.01394	3.4
73.02958	2.8
81.45067	1.5
84.40794	1.6
89.02447	5.6
101.02418	3.7
104.56599	1.4
113.02480	2.8
122.03748	7.0
125.06086	3.3
132.89684	1.4
143.07126	2.1
146.03777	2.3
149.06082	9.4
150.03214	20.4
155.10713	1.5
161.06078	3.5
164.04807	7.5
165.05576	43.1
166.06355	3.0
167.07133	100.0
179.07092	15.7
180.04315	2.0
181.35562	1.7
195.06569	10.0
218.66515	1.6
221.08083	2.1
255.85890	1.7
293.17471	7.2
306.07587	1.9
351.21768	6.4
361.16476	6.2
479.37756	1.8
499.29053	2.5
511.19513	7.0
523.21887	42.7
559.20703	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	559.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94554	1.4
54.54574	1.3
59.01107	2.4
59.01378	27.5
61.98816	2.6
71.01374	9.6
73.02950	3.3
85.02951	6.8
89.02437	11.3
90.86127	1.5
96.96014	2.0
101.02435	19.6
113.02441	6.9
119.03482	2.0
125.02497	2.2
158.03857	1.8
166.06288	1.9
173.03918	1.6
181.08688	17.8
185.23268	1.7
189.12886	6.7
225.75317	1.6
233.11786	10.6
343.13620	10.2
353.28323	1.7
371.11700	1.8
430.26813	1.8
470.97543	2.2
492.22534	2.1
499.29169	14.0
521.17078	3.2
523.21899	100.0
559.23682	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	559.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18955	0.6
59.01375	2.8
59.41571	0.7
63.06856	0.6
70.13077	0.6
71.08998	0.6
94.64169	0.7
97.02928	1.3
121.02953	100.0
139.08229	0.6
175.07603	2.8
227.10994	0.8
229.08614	1.4
240.07935	1.0
243.10335	1.4
255.10287	6.2
273.11288	7.1
291.12347	1.2
377.14087	1.0
380.12842	2.7
395.15015	50.5
499.19818	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.6
61.98838	1.9
63.10276	1.1
63.43248	1.1
71.01377	2.4
73.02949	5.6
75.12990	1.2
77.28715	1.1
85.02946	1.2
89.02445	7.1
94.36706	1.1
101.02424	2.5
113.02454	2.1
119.03451	1.7
121.02813	1.3
122.03728	4.9
125.02445	4.8
125.06084	7.5
128.63379	1.2
133.25723	1.3
143.07188	8.8
146.03746	1.7
149.02391	1.9
149.06035	7.0
150.03236	23.4
155.10719	4.3
161.06084	5.1
164.01178	1.8
164.04756	5.1
165.05562	40.4
166.06281	1.8
167.07138	100.0
179.07156	14.3
180.04340	2.8
195.06635	9.9
200.99699	1.2
216.44164	1.3
220.00999	1.4
221.08313	2.5
257.04568	1.4
264.59561	1.2
287.05304	1.6
315.12372	1.8
337.20264	1.6
363.14517	1.8
407.07785	6.0
499.29172	7.5
511.19580	2.6
523.21722	8.7
559.12201	2.8
559.23029	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2191
Annotation	Prenantheside B
Peak:m/z	Relative Intensity
59.01402	6.6
65.77817	3.6
66.92970	3.9
68.45129	3.8
71.01378	5.4
75.50184	3.7
85.21052	3.7
106.09604	4.3
121.02944	70.7
123.04499	5.2
127.23557	3.9
137.09744	6.2
165.09230	6.8
175.07663	53.0
193.08742	18.6
199.65536	4.2
217.12247	8.9
219.10487	4.0
245.11810	7.0
263.12863	100.0
285.83862	4.1
471.72070	4.5
499.27246	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	559.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.4
61.38869	1.1
61.98835	10.9
69.09427	1.2
71.01375	6.1
75.00869	5.9
83.24252	1.2
85.02937	2.2
89.02428	3.0
97.02931	2.6
101.02439	2.9
113.02427	7.7
115.57784	1.5
121.02950	100.0
121.06489	1.4
123.04492	2.3
123.08143	1.4
125.02443	3.2
127.28735	1.5
132.53033	1.7
137.06161	2.0
137.09720	6.3
149.06090	2.1
153.05470	1.5
165.09171	3.1
175.07625	15.4
192.08189	1.6
193.05161	1.8
193.08740	5.4
213.09097	1.7
217.12358	6.2
245.11925	1.5
263.12906	29.3
267.98007	1.5
315.15668	1.5
318.29486	1.4
327.12442	2.4
337.23779	1.7
341.13919	1.7
359.15048	12.3
377.15833	5.6
437.18356	2.7
499.29138	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	559.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.6
61.98837	13.8
64.28415	1.6
66.29259	1.7
71.01388	9.1
73.19706	1.6
75.00887	7.0
83.03944	1.9
85.02960	2.8
94.97490	1.9
97.02946	7.3
99.04500	2.4
99.23660	1.7
101.02428	2.4
109.02985	2.2
110.53212	1.7
113.02452	7.7
119.08648	2.3
121.02958	100.0
121.39474	1.9
123.04546	2.6
125.02458	2.9
125.06136	2.1
135.04514	9.6
137.09750	7.7
149.06073	2.3
151.04025	3.4
163.04010	11.0
165.09186	3.6
168.55840	2.2
175.07652	47.8
181.05092	12.7
191.07124	2.7
193.08676	11.6
201.09131	2.1
209.08231	2.5
217.12364	11.2
245.11731	3.7
263.12878	67.9
315.12262	7.4
342.69168	1.9
351.96588	2.4
359.15042	3.6
367.15396	2.9
425.16028	2.8
455.17709	2.0
499.20535	2.5
499.28348	17.9
559.29163	6.3
584.04523	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	559.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94599	0.9
55.22043	1.0
56.09818	1.1
59.01381	50.9
66.14506	1.1
71.01377	25.8
74.80705	1.0
85.02956	1.8
87.00851	1.3
89.02441	66.0
99.04483	1.3
101.02441	29.4
113.02430	16.7
117.67194	1.2
119.02699	1.8
119.03491	26.5
131.03500	1.1
179.05673	1.2
210.15814	1.2
226.16945	1.3
279.10864	100.0
293.08258	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	559.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98829	0.7
71.01375	0.3
73.02923	0.2
73.23139	0.2
76.80500	0.2
89.02428	0.2
92.85371	0.1
93.37870	0.2
101.02451	0.3
113.02451	0.2
121.02971	0.3
122.03725	3.0
123.04464	0.2
137.02486	0.3
137.06076	1.2
163.07693	0.1
173.09717	0.2
174.10492	0.7
179.07268	0.2
181.08710	100.0
189.12866	3.4
200.74332	0.1
203.75549	0.2
233.11850	2.7
342.15753	0.2
343.14246	0.3
377.16187	0.3
499.29135	0.6
547.21490	0.2
559.25201	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	559.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13058	0.2
59.01377	0.4
73.02949	0.3
103.54557	0.2
111.04559	0.3
111.42906	0.2
113.02457	0.3
121.79808	0.2
122.03724	3.3
133.21252	0.2
135.04497	0.4
137.06094	0.5
163.36771	0.2
174.10451	0.3
181.08710	100.0
189.12868	2.9
214.67987	0.2
218.69511	0.3
233.11812	2.5
235.52287	0.3
249.33981	0.3
305.87491	0.2
343.14157	1.2
377.16351	1.7
515.10223	0.3
559.25299	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	559.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56498	1.2
53.13059	1.1
53.13312	1.2
57.03447	6.6
59.50566	1.2
60.76423	1.3
62.94886	1.4
70.96973	1.4
73.29218	1.2
76.21621	1.2
81.03463	1.7
83.01387	7.9
107.04244	1.4
109.02951	13.6
123.04482	6.1
125.02437	100.0
137.02451	54.9
145.02954	24.1
149.02425	14.1
150.03139	1.8
151.04016	7.7
153.01956	3.1
158.87624	1.3
159.04489	7.7
161.02550	1.7
161.06024	7.6
162.03247	1.9
164.01137	1.8
165.01955	3.2
179.03499	6.1
185.06053	7.5
187.03981	12.1
188.04802	1.8
202.06384	6.2
203.07141	24.9
205.05013	7.8
227.07095	5.5
237.92952	1.4
245.08221	29.8
253.05025	7.3
271.06107	41.5
271.08722	2.4
287.22293	38.8
289.07169	76.3
323.25769	3.2
363.15024	1.6
409.26089	11.7
473.77634	1.4
515.30255	21.2
559.29059	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	559.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93634	1.5
57.19847	1.5
58.19792	1.6
59.01386	99.3
62.68980	1.4
71.01372	16.5
73.02933	1.5
83.01431	2.3
85.02921	2.9
87.23060	1.9
89.02440	45.6
101.02436	12.0
113.02434	10.6
119.03494	17.8
139.92929	1.7
149.04619	2.0
151.07658	12.6
161.04593	2.6
168.07938	3.2
179.05600	8.1
187.09805	2.2
196.16724	1.6
205.12315	3.7
217.12312	3.6
279.12320	20.1
499.29144	100.0
543.61078	2.0
559.31213	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03662	1.6
59.01387	62.4
61.98833	3.4
70.43407	1.6
71.01385	27.5
73.02946	7.9
83.01377	3.9
85.02943	10.0
86.05141	1.6
89.02434	11.3
95.01406	2.0
101.02430	27.5
109.02956	20.0
113.02451	13.1
119.03510	2.0
123.04519	9.1
125.02435	25.1
131.03381	2.1
135.04515	1.8
137.02449	6.7
149.02408	7.5
151.04001	8.8
161.02425	8.8
161.04559	9.4
161.05943	2.4
163.03998	9.5
175.04051	9.5
179.03412	2.0
187.03951	2.5
189.01857	1.8
197.06059	1.9
199.03958	3.8
201.05492	2.5
203.07054	1.9
205.05057	8.2
213.05673	1.7
225.05629	3.0
229.05188	2.8
231.02922	4.1
241.05063	2.0
243.06644	2.7
245.08221	7.9
255.03015	9.0
256.03735	7.4
257.04553	17.6
261.18835	1.6
269.04568	67.8
271.06250	2.9
281.04459	3.7
283.06082	2.9
285.04056	8.9
289.07181	25.5
297.04132	3.8
407.07727	43.3
437.09116	2.9
441.24902	7.7
449.08627	10.0
499.29169	83.3
511.22757	5.2
514.82172	1.6
559.12531	100.0
559.31134	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	559.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06787	1.1
59.01386	100.0
61.98840	4.9
69.23366	1.2
71.01381	36.0
73.02944	5.0
74.44630	1.1
75.00873	1.3
78.06259	1.2
79.76119	1.3
83.01373	2.4
83.60465	1.2
85.02954	7.3
86.30537	1.2
87.00891	2.8
88.98814	1.4
89.01906	1.9
89.02438	48.0
95.01384	1.8
99.94926	1.2
101.02446	29.2
103.17863	1.2
107.23335	1.5
113.02453	22.3
119.03514	16.3
121.02938	2.0
125.02470	1.6
131.03468	1.4
138.34894	1.3
151.00455	1.3
151.03958	1.7
161.04544	5.7
177.40022	1.3
179.05608	10.0
269.25958	1.3
330.76059	1.3
337.23682	1.6
367.33939	1.4
441.24905	7.8
499.29114	80.4
559.26923	20.3
578.64209	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	560.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.7
59.01376	1.9
61.98820	1.6
62.99430	1.2
71.01377	13.2
73.02921	1.0
89.02413	1.4
96.32137	0.9
115.00350	6.7
117.03430	1.8
119.33894	1.0
134.03746	30.3
136.76782	1.0
142.05731	1.1
147.04546	1.5
149.06122	10.2
164.07144	14.3
178.02704	2.6
186.65785	1.0
187.15289	1.1
193.05069	100.0
206.08263	14.2
309.06259	13.3
338.03503	1.0
375.49585	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	560.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34826	0.5
59.01389	8.7
60.01712	0.7
61.98839	100.0
63.87350	0.5
69.45126	0.5
70.16247	0.5
71.01385	3.6
72.96840	0.5
75.00781	0.6
89.02444	6.0
90.02785	0.7
91.02869	0.6
101.02439	2.9
119.03514	1.3
120.03796	0.9
145.28651	0.5
179.05618	1.3
180.05849	0.6
332.03351	0.7
334.46515	0.7
492.19315	1.1
500.29568	3.9
504.19247	1.2
522.20361	1.0
560.17834	1.0
560.26276	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	561.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92125	5.0
59.01381	13.6
59.96058	5.0
67.04473	4.6
68.45766	4.9
109.02940	24.2
123.04490	12.1
125.02417	52.3
137.02452	25.8
139.03975	7.0
150.48627	5.7
151.04037	11.1
161.06059	7.5
164.01163	8.9
165.01996	8.0
175.03989	7.9
203.03537	6.0
203.07193	22.5
205.01370	6.0
205.05086	23.4
245.08113	20.1
261.04489	5.7
269.12189	5.3
271.06052	6.8
289.07193	100.0
406.71524	6.0
407.07849	6.3
435.10852	8.1
441.21188	29.6
501.23376	9.8
525.21143	5.3
561.13824	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30895	0.8
57.03436	2.1
70.79373	0.8
73.90668	1.1
83.01397	2.0
89.99534	0.9
95.05035	1.9
97.02952	5.3
109.02949	20.9
121.02960	4.0
123.04531	16.6
125.02430	39.9
125.03347	1.5
133.02974	3.9
135.04514	1.5
137.02441	23.5
139.04010	4.7
149.02391	5.7
151.04031	12.7
159.04498	1.3
161.02412	3.8
161.06030	7.9
162.03247	1.4
163.04008	2.3
164.01154	14.4
165.01901	11.7
166.02702	1.4
167.03510	3.9
175.03911	7.1
175.68132	0.8
177.01909	4.4
179.03535	12.1
187.04004	9.7
188.04779	7.0
188.83075	1.4
189.05585	1.1
202.06332	2.1
203.07158	26.8
205.01483	8.2
205.05051	16.7
217.05086	1.4
217.08704	1.5
221.08174	5.1
227.07080	5.4
229.05090	1.5
229.08774	1.3
245.08199	31.9
247.06174	2.2
252.16797	1.0
255.02826	1.0
255.31387	1.1
256.03598	1.9
271.06033	11.6
273.07681	6.6
289.07187	100.0
355.83322	1.1
385.62097	1.1
402.68274	0.9
407.07712	11.8
409.09232	1.1
425.08780	2.1
435.10764	13.2
530.55096	1.2
543.13202	2.2
561.14130	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	561.1407
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
54.95435	1.1
57.03449	2.2
57.05109	0.9
59.01384	2.0
60.30826	1.0
61.98841	2.3
71.01369	1.9
78.85628	1.2
81.03461	1.3
83.01373	1.7
89.02419	2.0
97.02965	4.6
109.02950	18.3
121.02950	1.7
123.04501	11.9
125.02447	37.3
127.00438	1.2
133.02957	2.0
135.04539	2.0
137.02452	27.8
139.04028	2.8
145.01868	1.2
146.83688	1.2
149.02408	6.4
151.03984	10.7
153.01952	16.2
158.28595	1.4
159.04523	1.2
160.05334	1.3
161.02489	2.5
161.06075	5.4
164.01157	17.4
165.01907	8.0
167.03549	4.2
175.03966	6.6
175.07605	1.5
177.01939	5.9
179.03543	10.1
185.06029	1.4
187.03961	5.4
188.04793	2.2
189.05754	1.7
189.67906	1.1
201.05635	1.3
203.07170	21.0
205.01366	1.4
205.05017	15.8
211.69652	1.3
221.08168	2.3
227.07097	5.8
229.04929	1.4
245.08197	26.2
271.06070	10.6
289.07199	100.0
339.08688	1.3
407.07794	8.6
409.09512	1.2
425.08878	12.3
435.11053	10.7
518.79974	1.2
543.11761	1.2
561.14008	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82929	2.8
58.55696	3.4
62.12602	3.3
72.41369	3.1
74.04092	3.3
97.02931	6.7
100.71858	3.9
109.02952	25.6
121.03014	3.8
123.04559	16.3
125.02451	64.3
133.02864	5.2
135.04547	4.6
137.02432	22.5
149.02405	5.4
151.03990	21.8
161.06091	8.0
164.01134	18.6
165.01784	11.1
167.07111	17.9
175.04037	5.6
177.01926	6.0
179.03496	9.1
179.07115	5.8
187.04056	7.3
188.04774	5.8
201.19048	3.8
203.07201	25.8
205.01425	20.6
205.05070	5.5
221.08139	7.9
227.07159	3.9
245.08160	34.5
271.06137	6.2
272.96008	3.9
273.07571	7.8
281.04468	5.5
289.07230	100.0
363.14285	6.0
407.07709	26.7
435.10834	32.5
441.21210	3.8
470.34119	4.7
479.15308	4.0
489.20526	4.3
525.19641	6.2
543.13263	3.9
561.14276	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	561.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38380	0.6
51.89333	0.5
53.39650	0.6
55.80917	0.5
59.01383	13.5
61.98825	4.5
71.01373	9.4
73.02937	1.0
83.01414	0.9
85.02979	3.3
89.02435	4.6
90.55731	0.6
94.82600	0.6
101.02445	4.4
103.21625	0.7
108.27451	0.8
111.00893	0.9
113.02457	3.6
113.66312	0.6
117.45751	0.7
119.03511	0.8
146.07172	0.7
146.08269	3.2
151.96698	0.7
153.70654	0.6
161.04448	0.8
165.02011	0.8
196.05301	3.1
197.06161	3.5
198.03304	0.8
211.04010	0.9
212.04773	9.6
224.04773	10.0
239.03508	1.6
239.07152	12.3
240.04266	43.4
241.05066	3.2
242.05803	0.7
252.04266	6.7
253.05170	0.9
255.06621	5.0
257.08215	5.7
267.02985	8.3
268.03763	27.9
277.12244	1.3
283.06110	100.0
300.08734	0.9
301.07251	9.1
307.48248	0.8
360.09305	1.5
399.23895	1.0
431.12747	2.7
471.27164	0.8
475.23914	0.8
501.30121	1.3
561.19232	19.3
561.29248	28.4
572.60858	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	561.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	55.0
61.12776	5.8
61.98824	9.6
71.01381	29.2
85.02924	11.1
89.02431	27.8
92.20038	9.7
92.23258	5.5
101.02419	27.4
113.02428	11.4
121.03012	7.5
123.04509	25.5
134.63640	5.9
135.04547	8.5
149.06180	6.0
153.05571	25.9
240.04182	12.3
249.05487	9.9
268.03662	6.2
283.06073	27.1
561.20575	26.5
561.28992	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	561.2115
Annotation	ES-242-5
Peak:m/z	Relative Intensity
50.63158	9.6
59.01379	79.5
61.98834	100.0
63.22450	9.8
65.46260	12.8
77.84375	9.6
87.00871	46.5
90.63003	10.2
92.20057	37.9
96.95999	11.7
125.02483	19.3
217.24638	12.2
263.32220	12.1
269.04672	16.8
271.05319	11.8
299.46906	10.2
316.41034	11.3
409.07950	14.2
438.71774	11.5
494.34781	14.5
501.30185	17.3
522.82416	11.6
525.23358	12.3
561.12836	55.9
561.21179	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2114
Annotation	ES-242-5
Peak:m/z	Relative Intensity
50.89933	6.9
54.38112	5.8
54.86675	7.3
59.01387	47.7
61.98835	15.8
62.99162	5.9
78.15491	7.0
83.99805	6.6
92.19519	9.5
109.02936	13.8
125.02451	100.0
137.02458	32.1
149.02400	11.3
198.28339	7.9
218.09537	8.0
221.07948	6.8
229.08562	8.3
271.06073	12.3
289.07175	12.3
407.07742	12.5
523.21570	10.8
525.23236	13.6
561.14709	68.4
561.21252	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98835	2.2
99.22990	0.5
101.02406	0.7
109.05807	0.6
113.02479	0.6
121.02952	100.0
121.61626	0.5
122.04935	0.5
137.02487	0.6
169.03690	0.5
222.87012	0.5
261.47766	0.5
379.17734	2.7
392.64746	0.6
397.18826	3.3
439.19907	3.3
501.30481	1.1
588.50348	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	561.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31926	2.0
56.64908	1.8
59.01385	31.8
61.98552	2.1
61.98813	18.5
62.00445	2.1
72.66598	2.5
85.02946	32.2
96.96004	4.3
101.02461	3.3
113.02437	36.0
113.65630	2.5
121.02952	100.0
201.12683	3.2
203.10751	2.9
221.11880	4.5
247.13416	5.0
265.14514	3.3
278.70148	2.6
307.15625	20.1
332.23346	2.5
339.16034	5.9
351.19693	2.7
486.13068	2.8
501.29797	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	561.2924
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
52.68435	1.0
55.08411	1.1
58.45742	1.2
59.01385	77.8
59.01688	2.5
61.98817	1.3
65.01048	1.0
71.01382	39.7
72.99297	1.2
73.02951	4.5
81.55672	1.2
83.01392	1.9
85.02946	10.8
87.00867	2.0
89.02446	36.3
94.24196	1.2
95.01369	1.9
99.00887	1.5
101.02459	23.6
105.48160	1.3
113.02456	19.6
115.26421	1.1
119.03471	10.8
121.02958	4.8
161.04463	1.2
200.70511	1.1
249.05527	1.2
257.36420	1.2
399.23792	2.4
452.77539	1.4
501.30460	1.4
561.29358	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	561.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01110	2.1
59.01387	56.2
60.51934	1.2
61.98840	2.9
71.01384	17.9
73.02934	2.1
78.91856	1.2
85.02952	8.1
87.00873	1.5
87.04510	1.5
89.02465	15.4
92.19505	1.5
99.00861	2.2
101.02435	20.9
113.02468	10.1
119.03529	4.3
121.02954	5.2
135.07742	1.2
140.54323	1.5
150.54977	1.4
561.29315	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	561.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.2
61.98832	6.0
71.01379	14.5
73.02943	4.1
83.01385	2.1
83.64004	0.5
85.02957	5.8
87.00856	0.5
89.02434	8.6
90.47961	0.4
95.01414	0.7
99.00869	1.0
101.02440	11.7
111.00858	1.1
113.02448	6.7
119.03506	3.6
121.02936	0.6
125.02408	2.0
143.03444	0.6
146.08250	3.7
149.02399	0.4
151.04013	0.5
153.05499	0.8
159.02884	0.6
161.04544	0.9
162.53293	0.5
165.01930	0.4
165.03380	0.4
167.03548	0.6
175.54190	0.5
179.05583	0.8
195.39099	0.5
196.05344	4.1
197.06145	3.4
198.03279	0.5
211.04051	0.7
212.02939	0.6
212.04826	11.2
223.03986	0.6
224.04831	10.2
237.05554	0.5
239.03499	2.4
239.07132	12.1
240.04289	45.0
241.05096	2.9
252.04259	6.0
253.05072	0.6
255.06595	5.2
257.08139	5.1
267.03033	7.4
268.03793	27.5
277.12250	1.9
283.06122	100.0
300.02945	0.7
300.08951	0.8
301.07202	8.7
360.09213	2.0
399.23761	2.2
431.12781	3.1
483.71848	0.5
498.20969	0.5
501.23581	1.0
501.30240	4.2
502.17566	0.5
525.22986	0.7
531.82727	0.5
561.19342	18.9
561.29199	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	563.1201
Annotation	Theaflavin
Peak:m/z	Relative Intensity
50.07254	0.8
53.20887	0.8
55.36941	0.8
57.03443	1.9
59.01379	4.0
61.98818	0.9
71.01369	2.0
73.02941	1.4
77.28872	0.8
80.98898	0.8
81.03441	1.4
83.01385	2.2
83.02190	1.0
85.02950	1.0
89.02428	3.6
95.05012	1.8
97.02939	1.8
99.04514	1.6
101.02433	1.4
109.02972	1.5
121.02962	1.1
123.04497	2.1
124.01711	1.2
125.02434	31.7
137.02449	28.9
139.03964	1.7
151.03986	4.8
163.04030	1.2
164.01137	5.6
165.01924	12.5
167.03506	22.3
173.06030	1.1
179.03531	4.1
181.05060	4.3
181.12253	1.1
185.06061	1.2
189.05562	3.6
191.03441	0.9
191.05632	1.1
201.05609	6.2
203.07036	1.2
213.05522	7.5
214.02753	1.1
215.03534	5.8
216.04376	1.2
217.05075	2.1
225.05577	1.3
227.03554	1.1
229.05057	10.9
231.06573	3.2
241.05080	59.7
242.02335	1.3
243.02974	2.1
243.06717	1.1
245.04482	2.2
251.07176	1.5
253.05116	5.2
254.05620	1.2
255.06580	1.3
257.04587	22.2
259.06128	3.5
262.06189	1.0
265.05066	3.6
267.03003	1.2
267.06668	1.4
269.04535	26.1
275.07303	1.1
277.05170	1.4
279.06451	1.2
281.04523	8.4
287.05463	1.5
291.06628	3.4
293.08185	1.3
305.04871	1.0
307.09711	1.1
309.07953	3.1
317.08118	1.1
321.07837	3.2
323.05609	1.3
323.09235	1.3
335.09329	1.8
337.07141	1.4
339.08713	1.6
345.07800	1.1
353.10092	1.0
361.07117	1.3
363.08826	1.6
377.06870	1.1
379.08188	2.2
389.06430	1.4
395.07669	5.2
397.09262	4.1
407.07831	6.1
419.07635	4.4
424.08319	1.1
425.09042	8.0
437.09116	1.1
503.24628	1.2
519.13068	1.5
520.02771	1.0
545.10846	7.9
563.11957	100.0
563.21216	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	563.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
59.01380	2.6
61.98816	2.7
77.64986	2.0
81.03440	2.5
83.01395	2.9
95.04993	2.7
104.04975	1.5
109.02914	2.4
118.25473	1.6
118.59202	1.5
121.02946	1.9
125.02437	38.2
134.02348	2.1
137.02422	26.9
151.04013	4.3
164.01173	2.7
165.01950	13.2
167.03484	16.2
179.03568	1.8
181.05002	3.3
185.06114	2.2
185.51759	1.7
201.05626	3.2
213.05626	10.3
215.03491	4.4
216.04262	1.9
216.11790	2.0
217.05070	3.7
225.05591	3.0
229.05067	15.2
231.06598	3.4
241.05092	53.7
242.02034	2.4
243.78081	1.8
253.05067	4.7
257.04575	20.8
269.04593	24.2
278.06073	2.5
281.04526	11.7
281.07980	2.1
321.07562	2.8
345.07870	2.1
389.06638	2.6
395.07532	3.1
407.07846	3.7
425.08826	10.1
495.96228	2.0
545.10413	2.1
563.12030	100.0
563.20917	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	563.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70250	1.8
59.01389	7.3
59.17768	1.7
60.44238	1.8
61.98827	4.4
63.66684	2.2
71.01369	3.7
83.01389	4.5
89.02441	5.2
92.20035	3.2
101.02431	7.8
113.02383	2.7
121.02953	12.3
123.04496	2.7
125.02435	32.9
137.02457	26.9
137.60294	2.0
151.04028	7.9
164.08305	2.6
165.01926	11.8
167.03459	19.2
171.86940	2.0
181.05096	2.5
189.05524	2.8
201.05576	3.2
211.33580	2.2
213.05606	3.3
215.03513	3.4
229.05060	10.5
231.06540	3.6
241.05098	60.7
243.02953	2.6
253.05057	3.8
257.04498	21.9
269.04672	20.4
269.07523	2.6
269.44836	2.2
281.04483	10.0
282.80466	2.7
321.07794	2.8
323.09958	3.2
333.07758	3.1
389.06375	4.7
395.07596	3.1
407.07706	2.9
425.09134	2.6
503.21567	16.1
545.10870	7.7
563.12030	100.0
563.20923	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	563.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10692	1.7
54.68539	1.5
59.66491	1.6
61.98824	2.2
63.48140	1.7
80.75998	1.8
83.01388	2.7
98.26784	1.9
105.11163	1.9
113.06037	2.0
113.30516	1.9
121.02950	20.7
125.02429	31.2
137.02443	22.9
139.03978	2.1
139.26950	1.7
149.02466	2.9
151.04008	9.1
164.01097	3.4
165.01888	12.0
167.03467	15.6
173.06116	2.2
179.03523	2.2
181.05038	4.4
201.05554	2.6
203.07289	2.4
204.34764	1.7
213.05515	2.9
215.03375	2.2
217.05078	2.8
229.05063	9.9
231.06686	2.9
240.04222	2.7
241.05046	55.6
244.67920	2.0
253.04999	4.1
257.04584	22.3
269.04526	23.1
271.02356	2.1
281.04535	4.5
285.07532	2.3
316.02203	4.3
333.07971	3.8
345.07632	2.4
379.08237	2.5
389.06747	2.2
397.09125	4.1
407.07782	4.7
425.08762	3.4
545.10883	8.1
563.12042	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	563.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69632	1.4
59.01386	24.3
60.99307	9.7
71.01385	10.0
72.99306	47.9
75.00877	9.9
78.82600	1.5
87.00858	2.4
89.02439	100.0
105.01938	3.0
112.08132	1.7
115.00375	12.5
117.01931	32.9
133.01433	84.1
133.02425	3.6
135.02951	2.3
145.01439	18.6
191.05635	46.1
221.03032	65.4
221.06598	8.1
445.84537	1.9
503.16388	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	563.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98286	0.9
57.43504	1.0
59.01386	29.9
60.99320	10.3
71.01390	9.8
72.99307	52.1
74.00079	1.6
75.00882	8.8
85.02950	1.0
87.00914	1.4
89.02443	100.0
99.00873	2.5
100.91209	1.2
101.02516	1.4
103.00384	1.7
105.01933	2.5
115.00379	16.9
117.01938	31.7
127.00294	1.4
133.01430	74.4
145.01419	18.8
149.04532	1.6
153.33647	1.1
161.00946	1.5
179.43057	1.2
190.69624	1.5
191.05632	35.7
207.05025	1.3
221.03049	49.2
221.06651	2.4
237.33160	1.1
277.82162	1.1
337.23297	1.3
341.11017	1.3
386.79428	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	563.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32945	1.5
58.02982	2.5
59.01381	2.8
70.02978	4.1
74.02476	33.0
96.95996	15.1
98.02464	6.3
98.95585	12.8
99.72995	1.8
109.84917	1.7
113.02428	2.9
116.03533	16.4
116.05040	4.0
125.17384	1.8
150.03186	2.7
165.05571	12.3
172.26566	1.9
179.24553	1.6
195.06586	4.1
201.10291	3.5
203.08293	54.0
211.34567	1.6
245.09317	100.0
247.65285	1.9
289.08463	3.0
299.01913	2.2
299.60712	1.6
300.02792	2.1
353.95038	2.6
563.00977	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	563.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02378	0.3
52.98071	0.3
54.38635	0.2
59.01380	0.4
62.74814	0.3
64.63598	0.3
65.66898	0.3
67.01888	0.3
69.75702	0.3
78.95888	0.3
83.71201	0.3
93.03452	25.7
93.36096	0.3
99.04507	0.4
111.00870	10.2
123.04462	0.4
132.51396	0.3
137.02443	100.0
143.03510	4.0
153.05539	0.4
299.07739	15.4
339.72580	0.3
340.10919	0.4
425.84973	0.4
471.71143	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	563.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14558	16.3
56.24654	17.0
59.01385	92.1
60.21137	17.7
74.33986	16.1
89.15993	24.7
107.88236	18.7
199.10776	18.9
220.62257	19.4
226.67154	21.1
256.65030	21.7
503.29941	100.0
559.90765	21.1
563.20618	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.6
59.01389	59.7
71.01390	16.2
72.45226	1.2
73.02949	7.5
74.10699	1.1
82.70003	1.1
85.02958	12.4
89.02461	2.9
91.45957	1.2
97.02937	2.3
99.00864	2.2
101.02463	20.4
113.02450	8.0
121.02077	3.3
121.02956	100.0
138.87851	1.5
140.90283	1.4
161.04564	5.9
203.90588	1.4
269.11859	3.3
341.15939	2.2
409.31027	1.5
441.21280	26.2
487.19730	5.0
503.21356	44.3
528.44092	1.7
563.25012	24.8
563.32599	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	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
59.01386	36.9
61.98832	4.5
66.19489	2.5
70.21023	2.4
71.01384	37.0
73.02954	5.0
74.45166	2.2
74.60485	2.1
76.22512	2.4
80.58567	2.4
80.69823	2.9
83.01379	3.7
85.02944	14.7
89.02467	22.9
99.00916	3.2
101.02435	28.7
113.02454	18.4
119.03492	10.5
121.02955	34.3
125.02431	14.4
137.02446	4.1
161.04546	6.0
167.03426	3.6
227.47577	3.0
241.05121	9.7
257.04764	2.8
503.21390	100.0
563.11902	14.3
563.25952	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	563.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.09919	1.8
61.98822	2.3
62.73982	2.0
71.01395	4.7
73.02940	2.7
85.02951	35.2
87.04498	3.4
89.02458	2.8
105.64592	2.1
109.56126	1.9
109.97832	2.2
110.38363	2.2
112.38085	3.0
113.02454	26.3
115.04031	2.8
121.02950	40.9
127.75667	2.5
132.02881	2.5
139.64256	2.7
167.07184	2.8
173.09731	12.3
239.10916	8.8
242.29080	2.4
257.11844	8.8
299.12823	4.3
317.13806	2.9
347.14893	4.9
399.20193	3.0
441.21323	91.3
515.16669	2.3
563.30908	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	563.2505
Annotation	Taxuyunnanine K
Peak:m/z	Relative Intensity
59.01386	15.6
83.05023	0.6
92.20058	1.0
99.04521	2.2
99.76009	0.5
107.05070	0.6
109.70378	0.5
116.84078	0.5
118.29359	0.5
121.02951	100.0
125.06040	0.7
149.06073	2.2
163.85909	0.6
167.07144	2.9
171.55910	0.6
202.99199	0.5
232.80981	0.5
241.05090	0.6
263.00052	0.6
269.11734	0.6
287.12878	1.1
305.13916	1.1
312.23187	0.6
323.15067	6.3
441.21625	0.8
503.22830	7.8
503.30240	2.2
518.14142	0.6
563.11182	0.8
563.31958	0.8
567.73016	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	563.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	56.7
60.28107	1.2
64.52311	0.9
69.98834	1.0
71.01379	14.7
73.02953	6.2
75.85416	1.1
75.88698	1.2
83.01361	1.2
85.02940	11.8
88.57776	1.1
89.02439	4.5
91.61402	1.2
91.70723	1.0
96.96049	2.1
101.02431	20.1
113.02467	10.1
114.40014	1.2
121.02955	100.0
121.99483	1.0
127.54992	1.1
140.79361	1.2
161.04558	4.6
269.11798	1.6
301.08615	1.2
341.16055	4.1
441.21356	24.2
503.21286	36.5
563.25092	23.4
563.32391	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	563.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22577	0.5
51.15135	0.4
59.01388	11.3
61.98830	0.8
63.55002	0.5
64.73671	0.5
69.73467	0.5
92.19464	0.6
107.04980	0.6
112.80032	0.5
121.02956	100.0
137.06012	1.2
149.06102	1.3
167.07140	1.4
225.09244	0.7
241.12192	0.6
251.10725	1.2
257.11703	0.8
267.39395	0.6
269.11841	1.1
287.12897	1.0
305.14023	3.4
323.14917	2.8
365.15948	2.3
383.16931	5.0
441.21329	21.4
476.71603	0.6
535.71637	0.6
563.24255	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	563.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.0
61.95131	0.9
61.98848	3.5
65.48825	0.9
71.01370	3.8
71.52061	0.9
73.02953	2.0
83.86810	0.9
85.02930	1.3
88.68833	1.0
89.02441	1.1
89.48409	0.9
101.02421	1.5
113.02438	1.0
121.02950	100.0
122.03742	1.2
159.56241	1.0
167.07132	42.1
283.06082	4.4
285.06467	1.0
327.22089	1.0
355.82867	0.9
383.17010	2.1
383.74875	0.9
422.14261	0.9
441.21252	20.4
503.24557	4.1
563.25177	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	563.2636
Annotation	Morinol A
Peak:m/z	Relative Intensity
52.67031	4.4
55.87240	3.7
59.01384	39.6
61.98811	5.4
71.01394	4.3
80.59966	4.9
87.72684	4.0
92.19485	10.6
116.21574	4.4
125.26311	4.3
151.31461	4.5
167.07092	9.2
171.13889	7.8
213.18669	7.2
275.30795	4.8
341.26996	47.6
385.88672	5.0
385.93878	4.9
406.77365	4.4
447.04251	4.9
503.32196	6.1
563.26410	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	563.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.18440	0.9
68.97958	1.1
91.84595	0.9
167.10770	1.1
179.14465	1.2
195.13919	2.3
205.12299	3.7
223.13382	26.3
244.26111	1.0
481.25803	1.7
485.29059	2.3
498.76169	1.0
503.30161	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	563.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88919	0.6
59.01386	100.0
61.98833	6.6
71.01378	0.9
71.19128	0.7
76.40504	0.7
85.02921	1.1
87.04485	0.8
96.26791	0.8
101.02370	0.8
107.78448	0.9
108.14200	0.7
112.36662	0.6
121.02956	25.5
125.02390	1.8
137.02432	1.4
165.01967	0.8
204.39796	0.7
205.04869	0.7
241.05042	2.6
246.52550	0.7
257.04520	1.0
266.50345	0.7
269.04468	1.2
361.20285	0.8
407.08032	0.9
503.30167	17.4
563.12219	6.2
563.32349	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	563.3233
Annotation	3alpha-Angeloyloxy-2-hydroxy-13-oxo-14,15-nor-ent-labda-7-en-2-O-beta-[fucopyranoside-4'-O-acetate]
Peak:m/z	Relative Intensity
50.07416	1.1
56.62368	1.1
59.01387	100.0
61.98811	1.7
88.89157	1.2
92.64967	1.2
121.02937	1.6
192.07451	1.3
194.98639	1.5
241.90446	1.3
246.39389	1.4
284.48523	1.5
387.67343	1.7
391.97595	1.4
503.30231	15.9
563.32275	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	563.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44754	0.5
57.29238	0.6
59.01386	100.0
61.42147	0.5
61.98836	2.3
64.90280	0.5
71.69858	0.5
74.11565	0.6
85.02950	2.4
86.66526	0.6
112.92961	0.6
121.02937	6.7
139.41006	0.6
145.32619	0.6
190.40367	0.7
232.00716	0.7
307.86313	0.8
357.99704	0.8
441.21283	2.7
441.81000	0.6
443.40918	0.7
503.30121	11.2
527.23755	0.6
563.24182	0.9
563.32330	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	563.3386
Annotation	Manzamine E
Peak:m/z	Relative Intensity
58.85353	1.5
59.46481	1.6
78.51031	1.7
144.16893	2.2
165.21098	2.0
173.83208	2.2
178.32713	1.8
179.99631	1.8
215.29210	1.8
231.10289	47.6
268.07416	1.9
281.24866	3.4
289.58231	2.2
301.18167	4.4
313.14566	19.2
328.16843	90.4
329.17599	100.0
331.19083	8.8
403.26462	2.6
505.25983	4.0
519.27649	21.5
563.33960	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	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51245	2.2
59.01107	4.5
59.01385	100.0
71.01383	4.4
72.38154	2.2
73.02929	2.4
96.71423	2.4
101.02448	5.7
104.04131	2.6
113.02434	4.8
125.02411	2.9
167.07182	4.2
210.63965	2.6
213.18581	16.7
297.18387	11.3
341.26996	38.4
350.00610	2.5
359.28201	17.5
375.70837	2.6
439.42078	3.0
503.32355	78.8
519.25989	30.3
563.26306	25.3
563.34381	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	563.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22107	0.7
57.03453	1.1
59.01103	1.9
59.01387	40.7
61.98850	1.2
62.76431	0.8
64.00934	0.8
87.00121	0.9
89.02412	1.5
92.19395	1.9
101.02444	1.0
107.83247	1.0
113.02492	1.3
115.81887	0.8
127.11310	0.9
131.49289	0.8
141.12866	4.6
144.22910	1.0
153.35468	1.0
153.36769	1.0
169.12283	5.0
185.15483	53.0
213.18594	3.7
281.24881	2.2
295.26376	4.3
297.27933	3.6
341.26999	100.0
365.27020	3.9
425.17542	0.9
563.25873	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	563.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.0
59.01101	2.1
59.01385	48.4
61.90100	1.0
61.98828	1.1
89.02427	1.9
92.20038	1.9
101.02447	1.9
113.02447	1.5
126.37815	1.1
155.14455	1.8
157.12378	1.7
171.98250	1.2
191.48817	1.3
197.15474	14.3
198.59152	1.1
213.18619	51.0
281.24860	2.4
341.26987	100.0
365.26941	2.7
419.53418	1.5
519.25641	2.3
555.38757	1.3
563.32544	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	564.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.4
59.01383	53.8
62.77025	1.0
64.28659	1.5
71.01382	30.1
79.54104	1.3
83.67138	1.1
85.02961	2.0
89.02444	50.2
95.01369	1.2
101.02451	27.5
113.02433	16.0
119.03487	18.6
122.02499	2.4
135.04617	1.2
179.03476	2.4
179.05606	1.5
180.03870	2.6
202.77040	1.3
224.83910	1.4
259.54333	1.3
273.56793	1.3
279.10880	100.0
301.73267	1.4
342.08963	1.6
461.49213	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	564.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07619	1.2
56.87999	1.0
62.62344	0.9
63.16127	1.0
80.05060	1.7
111.62055	1.4
129.10341	19.6
132.32465	1.1
139.08739	5.5
140.07152	6.9
141.28323	1.3
147.15569	1.2
155.08246	1.6
179.34029	1.4
197.16562	5.3
202.26003	1.2
207.15012	18.7
224.17683	10.7
225.16074	7.7
242.18810	9.8
294.25452	2.3
310.24881	5.0
337.26083	38.7
355.27328	9.5
386.24176	1.4
386.29602	1.2
423.33450	1.9
564.41370	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	565.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
67.90935	0.5
75.99623	0.5
78.95905	100.0
79.31936	0.5
79.82828	0.4
85.02935	0.6
85.51310	0.5
87.00871	1.0
89.02430	0.6
95.57446	0.5
96.55136	0.5
96.96957	55.2
101.02432	0.5
111.02003	11.4
118.61745	0.6
120.96996	1.9
129.01942	0.9
133.33377	0.5
138.98039	7.7
150.98022	5.9
158.92535	21.8
162.98074	0.9
174.97905	1.8
176.93582	2.6
191.05597	4.3
192.99065	3.3
209.06668	0.9
211.00116	11.0
219.34482	0.5
223.00099	0.7
223.04506	0.6
232.48062	0.5
241.01204	12.2
272.95697	11.7
280.02368	3.6
305.01700	1.2
320.97888	2.9
323.02872	46.3
384.98474	3.0
565.04797	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0481
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
51.16351	0.4
58.83598	0.4
78.59039	0.5
78.95904	100.0
85.02937	0.5
87.00874	0.7
94.70081	0.5
96.96954	56.1
98.34232	0.7
111.01994	11.0
113.02360	1.0
120.96973	0.7
127.26275	0.6
138.97995	5.2
143.94113	0.6
150.98033	5.3
158.92520	20.8
168.99141	0.6
174.98067	1.8
176.93582	3.6
191.05518	1.0
192.99049	2.4
211.00136	9.7
216.82010	0.6
241.01180	14.2
272.95697	11.8
280.02197	4.4
301.14453	0.7
305.01797	2.2
320.97815	3.9
323.02835	50.8
384.98346	3.9
565.04688	76.7
567.58624	0.6
573.70483	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	565.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10884	0.7
51.63640	0.6
53.97601	0.6
58.87271	0.7
63.19257	0.6
63.65467	0.7
65.00325	1.5
74.29288	0.7
76.80503	0.9
103.07123	0.8
107.01379	4.6
117.03431	3.0
120.66323	0.9
151.00378	14.5
165.01906	1.1
192.13000	0.7
374.04321	29.0
388.06012	4.2
389.06622	19.0
398.04391	1.7
401.03049	6.0
413.06509	2.4
415.04437	6.4
445.08932	0.8
501.06479	2.9
517.05707	7.4
518.06348	9.0
519.07373	2.9
533.08771	41.5
565.11469	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	565.1143
Annotation	Isoginkgetin
Peak:m/z	Relative Intensity
53.01596	0.5
53.53325	0.4
53.71300	0.4
54.26565	0.4
55.50556	0.5
102.38223	0.6
111.49183	0.5
173.06078	5.6
198.07504	0.5
217.05118	1.1
232.77057	0.5
321.07809	4.2
330.05347	3.0
345.07727	15.4
347.05634	2.1
374.04330	15.2
389.06693	100.0
413.06769	0.8
565.11487	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1143
Annotation	Ginkgetin
Peak:m/z	Relative Intensity
52.78299	0.6
64.03357	0.7
65.00303	1.2
87.01774	0.6
97.62085	0.7
107.01398	1.3
117.03448	5.7
119.11623	0.8
121.94494	0.7
151.00415	4.8
165.01942	1.2
206.41624	0.7
221.40927	0.8
367.06036	1.2
374.04401	9.7
388.05853	13.6
389.06686	9.7
398.04276	0.8
400.02271	0.9
401.03140	3.3
403.08310	3.3
412.05884	1.1
413.06726	4.4
415.04660	15.6
430.07022	1.5
445.08981	2.8
456.05286	0.7
489.09933	1.1
501.06018	3.2
517.05487	7.5
518.06317	9.2
519.07111	4.6
533.00586	1.5
533.08740	46.5
565.11462	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	565.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11491	0.4
54.19178	0.4
58.64994	0.5
59.01384	8.6
63.86783	0.4
71.01373	0.7
72.99295	1.2
73.02956	2.0
96.96037	0.6
99.00906	0.9
99.92578	3.0
101.02464	1.1
116.03551	0.5
116.92853	100.0
117.01945	2.6
150.61806	0.5
155.95656	0.5
175.21976	0.6
184.07327	0.6
190.08751	0.9
208.09813	2.6
210.88243	0.5
278.95016	0.6
313.03613	0.6
313.37027	0.5
328.05869	2.2
343.08273	2.8
402.52927	0.6
521.27734	1.1
535.25464	0.6
565.28790	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	565.1955
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.99445	0.9
59.01379	7.5
63.70986	0.9
64.77897	0.9
71.01401	1.5
83.01418	1.0
89.02422	2.1
99.00881	4.8
101.02468	1.9
109.38863	1.0
116.92848	2.1
122.03741	1.8
123.04527	46.6
125.02401	4.0
136.05301	1.2
137.02399	4.8
137.06030	1.4
150.03261	1.1
151.04044	7.8
152.04764	4.0
163.04021	1.3
165.01978	1.1
165.05556	7.8
165.83243	0.9
167.03430	1.8
177.05554	4.5
178.06262	1.3
179.07188	1.1
190.24199	0.9
191.03502	1.1
191.05615	2.1
205.05170	1.5
206.05780	2.2
207.06647	1.9
220.07385	1.5
221.08247	1.2
241.05040	3.9
242.05347	1.6
259.05267	1.2
271.05222	1.2
279.08859	1.5
315.08505	1.2
325.07104	1.3
327.08563	1.0
330.11032	17.1
340.09402	1.6
342.11090	1.5
343.21448	1.0
345.13440	37.6
355.12091	1.8
357.13550	5.6
358.10403	2.0
362.09213	1.0
373.12994	9.2
388.11215	1.0
403.14005	100.0
565.12451	11.3
565.19922	6.1
565.28259	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	565.1934
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01379	3.7
60.59647	0.9
67.03071	0.7
67.45428	0.7
68.26211	0.8
69.99902	1.0
71.01399	1.0
73.21959	0.9
74.59441	0.9
84.59861	1.0
85.02937	1.0
87.00871	12.4
101.02461	1.2
108.02177	4.5
109.02964	4.2
123.04500	3.9
125.02396	1.4
137.02437	3.6
139.04025	1.5
151.04019	4.5
152.04797	4.9
159.04527	12.1
160.05276	7.0
162.06865	1.9
172.05263	1.4
173.06079	3.7
174.06865	5.7
175.07616	1.2
187.03957	2.1
188.04607	1.0
189.05595	0.9
191.07164	2.1
192.07977	2.0
197.73903	1.0
202.06337	4.6
203.03529	3.7
203.07173	1.5
217.05005	4.8
218.05852	5.5
231.06676	9.7
234.26123	1.0
235.09784	0.9
245.04498	1.1
296.06918	1.5
311.09296	28.5
314.11591	5.4
325.10870	8.1
326.11621	23.8
329.13974	5.4
341.13876	15.2
341.20221	1.2
359.15121	1.6
370.10602	6.7
385.12982	11.8
403.14014	100.0
453.20499	1.0
453.26563	0.9
565.19330	3.8
565.28174	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	565.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61075	0.7
52.55689	0.9
55.55239	0.7
57.22363	0.7
57.43929	0.7
59.01387	100.0
59.93545	0.7
60.04774	0.8
61.75166	0.9
84.18069	0.8
97.13326	0.8
188.34244	0.9
299.09396	1.3
314.11743	6.2
326.11484	4.0
329.13971	11.0
341.14035	8.5
565.22211	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	565.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98832	0.9
64.90140	0.7
68.41908	0.7
78.62775	0.7
78.95901	1.0
85.02938	1.0
89.07916	0.9
96.48335	0.9
111.73660	0.8
226.18881	0.8
255.13892	3.4
281.15436	5.5
299.16422	1.1
313.18134	1.1
325.14505	3.8
343.15527	8.1
403.17587	4.6
427.17728	1.2
445.18823	22.8
505.21024	9.7
505.31882	2.9
565.22931	10.6
565.33228	3.5
565.86993	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	565.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98832	0.9
64.90140	0.7
68.41908	0.7
78.62775	0.7
78.95901	1.0
85.02938	1.0
89.07916	0.9
96.48335	0.9
111.73660	0.8
226.18881	0.8
255.13892	3.4
281.15436	5.5
299.16422	1.1
313.18134	1.1
325.14505	3.8
343.15527	8.1
403.17587	4.6
427.17728	1.2
445.18823	22.8
505.21024	9.7
505.31882	2.9
565.22931	10.6
565.33228	3.5
565.86993	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	565.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77522	1.2
59.01387	100.0
61.98843	1.3
63.66288	1.3
68.27423	1.4
71.01376	13.2
73.02949	20.3
74.28619	1.4
83.01363	2.1
84.12826	1.3
85.02958	5.9
87.00831	1.9
89.02424	5.8
101.02444	13.2
101.90836	1.4
113.02449	6.4
116.92802	2.4
121.03001	2.0
125.02439	1.6
143.03453	1.3
145.02960	1.3
161.04567	2.2
161.06068	1.8
167.10808	2.1
181.08655	2.4
195.06551	1.4
244.91559	1.4
245.95905	1.8
312.33676	1.5
329.23358	2.2
521.19812	2.9
521.27545	83.6
565.19720	1.8
565.28436	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	565.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33713	1.1
59.01386	100.0
64.73983	1.3
71.35879	1.3
77.55945	1.2
81.86928	1.2
85.02944	1.1
95.48322	1.3
99.04502	7.5
117.95276	1.3
174.06926	1.3
230.14604	1.2
281.67191	1.4
312.64270	1.5
484.54556	1.5
565.27551	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	565.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	1.1
57.06300	1.2
57.74173	1.1
59.01386	100.0
68.24715	1.3
68.37935	1.3
75.00850	1.3
93.90532	1.6
102.29602	1.4
102.74762	1.4
118.67518	1.4
139.12163	1.4
153.02884	1.4
221.57889	1.5
251.58398	1.6
305.97696	1.4
433.28110	1.7
565.31348	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	565.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81497	1.3
57.80616	1.7
78.95899	3.3
81.66380	1.5
87.04515	54.8
91.40141	1.5
95.35503	1.4
108.06114	1.5
130.65451	1.5
152.99588	9.7
191.10806	12.5
245.04503	1.5
255.23323	100.0
272.97217	1.6
274.15802	2.5
289.18106	9.2
296.54495	1.7
330.17929	3.0
331.19153	82.5
407.26059	2.3
433.27493	6.5
434.25314	1.9
449.26660	3.0
451.28476	1.7
477.26590	27.1
477.33334	3.5
483.27255	50.3
503.31522	6.1
521.32605	3.5
565.31757	46.2
581.38287	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	565.3384
Annotation	FD 895
Peak:m/z	Relative Intensity
51.15801	1.6
53.14021	1.8
59.01385	100.0
62.16273	1.8
85.02932	3.4
87.20322	2.3
115.07632	2.3
121.02957	2.9
126.63747	2.0
129.86678	1.8
263.18008	2.4
283.37473	2.1
345.20795	3.3
371.22275	9.5
429.26764	2.9
487.30606	12.7
505.31735	96.1
510.68057	2.2
565.33777	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	565.3387
Annotation	FD 895
Peak:m/z	Relative Intensity
50.10908	0.5
50.51176	0.6
50.51427	0.6
51.01730	0.6
52.94084	0.5
54.52994	0.6
59.01385	100.0
63.29326	0.5
92.64724	0.7
103.94502	0.7
132.59938	0.7
152.79224	0.6
334.10562	0.8
445.29352	1.4
505.32047	3.7
565.33875	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	565.3388
Annotation	FD 895
Peak:m/z	Relative Intensity
52.84636	0.6
53.82385	0.7
53.82887	0.6
54.41681	0.7
58.27083	0.6
59.01386	100.0
59.58556	0.6
60.12355	0.7
66.46046	0.7
75.21242	0.8
85.02956	0.8
88.98795	3.3
111.08125	1.4
118.02921	0.8
120.49288	0.9
121.02937	1.6
136.30226	0.9
193.48509	0.8
205.64539	0.8
223.21703	0.9
243.81055	0.7
253.34090	0.7
282.10181	0.8
283.02908	0.9
324.43329	0.8
378.51080	0.9
419.60431	0.8
487.30386	1.1
505.31836	16.0
565.33923	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	565.3387
Annotation	FD 895
Peak:m/z	Relative Intensity
59.01387	100.0
69.51718	1.5
86.26890	1.5
99.29517	1.9
111.08171	2.7
121.03034	1.7
129.62842	1.6
139.30190	1.8
187.13382	2.1
370.60522	1.9
487.30731	2.2
505.31641	25.4
565.34076	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	565.339
Annotation	FD 895
Peak:m/z	Relative Intensity
54.80493	2.1
56.91730	2.1
59.01389	100.0
59.01683	4.2
61.98839	3.8
87.00896	5.0
138.74251	2.7
145.67380	2.7
146.59618	2.9
165.90338	2.4
178.11977	2.4
178.13550	2.5
201.36003	2.5
269.49884	2.9
390.20108	2.6
404.42862	3.2
505.31842	41.2
526.63086	2.6
565.33984	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72218	1.4
57.03467	1.7
59.01106	2.2
59.01386	57.1
67.91171	1.9
71.01378	25.9
71.10416	1.6
73.02943	8.1
83.01387	1.9
85.02949	12.4
89.02428	20.8
101.02450	22.3
104.41282	1.8
113.02442	6.6
115.00385	13.0
119.03479	7.2
121.02971	2.5
124.74264	1.9
134.03784	2.6
135.04529	3.6
137.72395	1.6
144.89359	1.7
163.04025	2.6
176.04773	1.7
179.05679	1.9
189.05554	1.8
210.03421	1.6
287.22241	2.9
449.28516	3.1
504.02905	1.8
505.33835	100.0
521.27551	3.4
535.19269	3.2
547.19202	3.1
565.18054	2.4
565.26599	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	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16458	1.2
59.01385	88.3
61.98845	2.1
67.09904	1.3
67.59000	1.2
70.79115	1.4
71.01385	28.6
71.55789	1.3
73.02946	7.1
73.82814	1.8
75.38892	1.2
81.09116	1.5
83.01383	3.3
85.02951	12.5
86.33725	1.4
86.50729	1.2
87.00893	1.6
89.02438	24.8
95.01389	1.8
99.04490	2.1
101.02441	26.7
113.02443	15.7
115.00368	3.2
116.92869	1.9
119.03471	3.2
119.38836	1.5
129.43562	1.6
190.46104	1.5
343.28708	1.8
505.33868	100.0
521.27649	6.6
565.32751	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	565.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
56.64466	0.6
57.03455	1.0
59.01386	69.2
61.98827	1.0
71.01384	28.1
72.99306	0.8
73.02947	5.7
80.82409	0.7
83.01393	4.1
85.02950	9.8
87.00877	1.5
88.98808	1.5
89.02444	22.9
95.01379	1.2
95.80457	0.5
99.00886	2.5
101.02447	21.1
102.62341	0.6
113.02440	15.5
116.92858	4.8
119.03487	5.3
159.02995	0.9
161.04553	3.1
179.05650	0.9
216.37511	0.6
247.24390	1.0
277.25543	0.9
343.28436	1.3
365.32867	0.8
452.59039	0.8
505.33868	100.0
565.32239	1.0
567.35944	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	565.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66148	2.0
69.24256	1.8
70.51666	1.8
137.08408	1.9
151.96500	2.1
267.19659	26.0
285.20654	15.8
294.76697	1.8
295.22903	3.5
297.24353	100.0
565.36572	3.6
565.44861	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70698	0.3
67.82526	0.3
69.90887	0.4
78.95930	0.6
93.03453	26.4
96.96968	0.7
99.77853	0.3
103.11997	0.3
134.04741	0.7
137.02448	100.0
138.52934	0.3
193.95233	0.4
256.80923	0.4
278.03604	0.4
299.07751	14.3
566.05353	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	567.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73550	1.6
59.01384	21.6
61.98834	2.2
62.00415	1.7
72.10085	2.0
87.81187	1.7
88.98795	10.5
92.19368	4.3
101.63690	1.6
111.91640	1.9
117.03435	7.3
159.04442	2.9
165.49321	2.2
230.19513	1.9
313.18115	2.6
337.06860	2.5
361.07227	11.9
389.06595	6.9
390.03915	12.2
401.06644	2.6
405.06186	89.2
429.06277	20.9
431.03674	4.3
432.04520	2.2
447.07343	23.0
473.05249	2.7
527.16772	2.0
567.09344	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	567.0939
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
50.14949	0.7
50.72318	0.7
51.69396	0.7
53.06895	0.7
55.43116	0.8
58.61015	0.9
65.45304	0.8
79.70814	0.8
92.20056	1.1
95.01501	1.0
98.27180	0.8
103.57217	0.8
109.02946	6.7
115.23391	1.0
120.24191	0.9
133.02939	20.0
175.03999	1.2
177.01921	1.1
205.55217	0.8
231.32777	0.9
231.75023	0.7
232.80449	0.8
321.07721	1.7
330.05276	1.8
345.07703	21.4
347.05563	1.4
374.04367	9.4
375.05209	1.5
387.08792	3.9
389.06668	76.4
398.04242	4.6
413.06686	19.0
415.04666	3.9
416.05414	1.5
431.07721	31.1
457.05505	3.3
567.09332	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	567.0939
Annotation	Ridiculuflavone D
Peak:m/z	Relative Intensity
52.16217	0.6
54.33950	0.6
59.01110	0.9
59.01387	19.6
72.70983	0.6
79.87885	0.7
103.42829	0.7
109.02952	2.4
109.72451	0.6
126.53082	0.6
133.02881	4.5
144.23926	0.6
150.39781	0.7
151.00366	2.5
174.03210	0.8
307.05905	1.3
331.06177	7.3
333.04041	1.1
357.04181	2.4
358.04718	0.8
374.04306	4.0
375.05118	48.7
383.05786	0.9
389.06525	1.0
390.03735	1.1
398.04245	0.6
399.05191	1.3
401.02936	11.9
405.06396	1.1
413.06363	0.9
416.05215	2.9
427.04303	1.3
431.07712	4.0
457.05890	0.9
463.08420	0.9
467.07523	4.3
485.21576	0.7
491.07208	1.2
493.05515	3.0
499.10098	0.9
507.06793	0.8
509.05344	0.8
519.37036	0.7
520.05981	0.7
535.06757	27.8
557.14191	0.7
567.09406	100.0
574.69525	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	567.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26163	0.9
57.14433	0.9
62.34666	0.8
68.00939	1.2
118.98659	1.1
135.81773	1.3
151.00369	9.8
161.06021	1.1
178.99840	5.0
226.02660	4.1
227.03470	1.2
243.02936	8.9
254.02258	10.6
255.02943	13.3
271.02499	83.1
272.03290	4.7
283.02328	1.4
300.02771	100.0
301.03607	20.0
567.11511	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1302
Annotation	2,3-Dihydro-7,7''-dimethoxyamentoflavone
Peak:m/z	Relative Intensity
54.32739	0.7
65.00321	3.3
65.03741	0.8
102.87701	1.0
107.79533	1.0
117.03445	4.8
151.00340	2.0
164.51596	0.8
165.01913	1.9
167.88670	0.8
224.04893	1.2
239.07141	1.7
251.03464	1.9
257.07874	0.8
281.08228	1.7
292.03632	1.0
305.08209	1.3
307.06143	1.2
332.06882	1.0
347.09500	1.0
367.06058	5.5
368.07013	1.7
369.07678	20.1
375.05066	1.3
383.09131	1.2
389.06720	1.1
401.10211	7.2
425.10474	5.8
437.06686	4.6
447.10910	1.0
449.10297	3.5
467.10922	1.3
477.09927	1.5
481.12729	1.1
491.11011	1.9
535.09827	7.2
538.95795	1.0
567.12958	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	567.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93253	1.3
58.45747	1.3
59.01384	49.2
61.98822	2.0
63.19747	1.4
71.01393	1.9
73.02958	2.2
79.91985	1.5
81.47812	1.6
87.00853	2.3
89.02429	2.1
89.65290	1.6
92.20078	3.4
101.02440	6.9
103.38153	1.6
108.02153	8.7
109.02934	2.3
113.02419	2.3
118.88649	1.5
123.04535	14.0
134.03748	12.8
135.04515	6.4
136.01631	8.3
137.02461	6.0
139.03987	2.9
146.03737	19.0
149.06039	9.7
151.04019	33.9
152.04771	3.2
153.05617	3.7
155.10788	3.7
159.04543	3.9
160.05299	3.3
161.06046	13.5
163.04028	12.8
164.04796	9.3
165.05573	1.8
175.03993	2.6
176.04846	2.7
179.07155	12.4
181.08665	8.9
181.12296	3.6
187.04016	10.4
202.02769	3.2
203.03532	2.4
204.04297	11.1
207.02951	2.5
217.04987	3.4
218.05888	2.6
219.06587	8.6
220.03783	8.5
231.02972	3.2
235.06223	12.5
245.04543	18.4
246.05162	3.7
253.09213	7.0
257.04681	2.0
272.06845	2.7
277.05148	2.7
278.05814	7.1
279.06573	2.4
290.83414	1.7
293.07861	3.2
295.06180	13.5
295.09128	1.8
310.08560	11.5
325.10849	3.8
327.12585	2.0
331.24924	42.3
369.09775	27.8
387.10858	100.0
436.19626	1.6
487.17401	2.7
523.29407	6.9
537.17639	6.7
542.46497	1.7
549.17621	7.7
567.17419	14.5
567.26074	3.3
567.33997	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	567.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
60.20496	0.4
75.00891	0.6
78.02134	0.4
78.83390	0.4
85.02956	3.2
87.00886	0.6
93.03437	0.6
107.68275	0.4
127.04006	0.6
131.90414	0.4
173.04501	0.5
191.05638	100.0
246.18889	0.5
252.42545	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	567.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51627	1.7
59.01385	16.1
66.35200	1.8
71.01372	10.2
72.23450	1.7
73.30181	1.7
85.43385	1.6
89.02441	18.9
92.19312	2.9
96.44601	1.7
101.02425	4.1
113.02473	3.3
118.07368	2.0
119.03450	8.5
162.49664	1.8
167.03462	3.3
167.07132	3.6
179.05577	9.7
256.10965	2.8
284.10611	10.8
295.09637	3.6
296.10590	20.9
297.11301	4.1
310.08603	3.7
311.09253	17.0
312.10059	100.0
327.12393	62.6
510.18774	2.0
585.07758	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	567.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22420	0.8
57.03450	6.6
59.01385	23.4
59.86692	0.8
70.22449	0.9
71.01388	12.5
73.02969	1.3
85.02942	1.4
89.02437	29.9
96.58729	0.9
101.02451	20.1
113.02425	8.5
116.75721	1.0
119.03516	13.6
121.06566	6.7
131.03540	1.0
135.11751	1.2
136.77426	0.9
137.09743	7.8
143.03435	1.9
144.39537	1.1
146.03700	1.0
153.05574	1.5
161.04665	1.1
161.06061	1.2
161.09683	8.2
163.06133	6.6
163.07648	25.0
166.06245	1.0
172.43712	0.9
179.05624	2.2
179.10739	1.4
181.07208	17.1
181.08670	2.5
187.18956	0.9
223.09805	1.6
243.17244	0.9
327.12451	1.0
343.12402	5.3
427.58020	0.9
494.70792	0.9
567.23059	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	567.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24474	1.0
52.86971	1.1
55.41773	1.0
59.01386	100.0
59.71487	1.2
68.74972	1.0
71.01366	1.3
85.02943	1.3
87.00863	6.3
88.98808	1.5
136.23206	1.4
139.06744	1.2
157.12302	5.1
447.20239	1.5
465.21307	35.6
507.33295	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	567.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20375	0.8
57.03451	1.0
59.01384	100.0
64.89487	0.8
69.03447	1.8
78.68875	0.9
80.10480	0.7
81.03470	1.4
87.71997	0.8
99.04512	4.0
101.02479	0.9
109.02980	1.6
111.04505	1.7
121.06576	3.7
129.25296	0.9
133.06598	1.8
135.04469	1.2
137.06078	0.9
139.03998	1.1
149.06102	6.9
151.07622	3.5
161.06059	3.7
163.07625	0.9
164.04849	1.1
165.09206	2.0
166.02687	1.3
167.07127	3.8
169.65399	0.8
179.07146	16.4
181.08644	1.2
197.08188	14.7
207.10327	1.3
209.08276	5.5
210.81364	0.9
225.29721	1.0
239.09222	4.6
297.14996	2.1
375.17969	1.3
387.18146	1.3
405.19138	1.6
465.21198	1.2
567.24316	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	567.2467
Annotation	Milolide H
Peak:m/z	Relative Intensity
51.12907	0.7
59.01386	100.0
63.59603	0.7
72.33372	0.6
75.00878	0.9
79.58875	0.7
81.84471	0.7
85.02936	0.8
87.00864	1.6
88.98818	0.9
122.20921	0.8
125.04600	0.8
149.06052	1.7
150.97295	0.7
165.09105	1.0
240.19620	0.7
293.56281	0.8
327.15820	1.1
341.23288	0.8
351.24075	0.9
375.17468	0.7
415.30899	0.8
441.83795	0.8
465.21280	4.9
507.32837	4.7
525.23438	39.2
567.25049	1.1
567.34424	4.9
579.25513	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	567.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17356	1.0
59.01386	100.0
60.93380	1.0
61.01610	1.0
73.48484	1.1
75.93819	1.1
87.00865	1.3
88.98804	1.6
101.28315	1.0
108.02194	2.3
123.04503	5.9
125.02437	1.6
125.73395	1.2
134.03745	2.3
135.04530	2.3
136.01646	1.7
146.03751	2.5
146.50125	1.1
151.04001	7.2
153.01891	1.2
155.19847	1.0
159.04424	1.5
161.06076	2.4
163.03978	1.9
164.04851	1.9
165.05551	2.4
179.07144	4.6
181.08707	40.2
187.03999	1.7
191.03563	1.3
204.04396	1.2
205.05040	1.0
207.03040	1.3
217.05054	1.5
219.06725	1.2
220.03859	1.6
235.06102	2.7
245.04614	2.4
246.05403	1.5
295.05890	1.7
310.08521	1.9
325.11105	1.7
325.14548	6.2
369.09772	5.3
387.10901	24.1
390.52081	1.2
519.16028	1.7
537.17963	1.6
549.17273	1.1
567.17859	5.6
567.25842	9.6
572.57404	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	567.3179
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
57.03843	2.9
59.01389	54.6
59.25453	3.1
60.35129	3.1
61.98850	3.9
65.63955	3.3
71.97408	3.6
76.36619	3.5
88.98776	5.4
89.02474	5.1
92.19387	8.1
92.85794	3.6
121.02917	4.3
181.08713	6.8
186.25815	3.9
222.72511	3.8
292.71579	3.7
521.31250	14.7
562.30334	3.8
567.18341	15.6
567.31989	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	567.333
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
54.42316	1.4
54.56865	1.3
59.01368	1.6
87.04510	46.2
109.06548	2.1
121.06628	2.1
135.75133	1.8
136.97758	1.4
151.11272	3.3
173.09763	1.8
177.48692	1.6
191.10783	50.8
203.10774	7.9
205.15990	7.0
207.13989	4.9
207.17519	7.2
274.15787	15.7
289.18088	43.3
315.19711	2.2
316.20297	2.2
414.36160	2.0
435.28833	6.2
437.26917	1.8
453.30188	1.9
479.28317	6.5
505.33328	2.7
523.34326	16.6
567.33325	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	567.3337
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
52.53270	0.9
59.01374	1.4
61.97915	1.2
87.04514	46.7
109.06632	1.6
121.06577	1.6
134.39391	1.2
151.11226	4.2
173.47557	1.2
190.09935	2.5
191.10788	57.1
203.10785	6.2
205.16028	6.4
205.92789	1.2
207.13872	5.4
207.17615	5.8
245.15358	1.7
251.16528	1.6
270.07104	1.3
274.15698	13.1
289.18103	47.6
315.19733	1.7
355.22870	1.6
381.21027	1.7
389.24524	1.4
417.28494	1.5
435.29175	5.5
453.30008	1.7
479.28430	6.3
505.33377	2.8
523.34064	16.3
536.23792	1.4
546.50983	1.3
567.33447	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	567.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27131	0.5
57.03453	3.2
59.01385	19.8
71.01373	0.9
73.02928	0.8
85.02958	8.2
85.06581	1.0
85.61406	0.7
89.17281	0.9
92.19518	1.5
101.02403	0.9
109.45042	0.7
111.08153	43.3
116.27064	0.7
129.09238	0.9
135.04515	1.2
137.06177	0.9
143.10774	3.4
151.03972	1.0
165.05597	0.9
176.29454	0.7
181.08708	100.0
183.48819	0.8
187.13406	39.0
193.05037	0.8
233.15607	1.1
273.14890	1.2
273.62949	0.8
283.17108	1.4
285.15121	1.0
301.17969	7.7
319.19119	10.4
325.12909	1.0
385.15030	6.6
395.26492	1.0
431.28085	1.0
451.37845	0.8
471.31244	1.1
491.29932	1.0
507.33276	77.3
567.24536	20.1
567.33569	1.4
567.36237	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	567.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22848	0.8
57.03451	1.3
59.01385	100.0
60.54487	0.9
61.21421	0.9
61.98839	1.8
71.01385	16.9
73.02949	9.2
83.01393	2.0
85.02940	9.5
87.00865	1.6
88.98776	3.7
89.02456	7.2
95.01376	1.2
95.77202	1.0
99.00864	2.0
101.02434	17.4
113.02428	8.3
119.03500	1.7
119.04992	1.0
123.04536	1.1
125.02470	1.4
150.82524	0.9
161.04594	3.4
169.64877	1.1
299.25745	1.1
389.21686	1.0
405.25391	3.0
507.35342	76.4
523.29352	1.7
567.10413	1.0
567.27515	4.5
567.35309	7.1
578.39215	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	568.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74710	0.3
59.01382	2.7
61.98835	100.0
71.22162	0.3
76.69083	0.4
81.42272	0.4
87.23804	0.4
108.27632	0.4
135.17590	0.4
138.03787	0.4
138.64049	0.4
152.50598	0.4
172.11143	0.4
184.00284	0.4
221.68024	0.4
375.72229	0.4
508.35107	1.5
568.30499	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	568.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13718	0.5
59.01384	3.9
60.01744	0.5
61.98833	100.0
107.29693	0.6
172.75879	0.6
190.08301	0.6
229.97755	0.6
243.89934	0.7
315.26117	0.5
335.91293	0.7
370.26898	1.3
397.74805	0.5
432.20483	0.7
439.26959	0.5
489.95404	0.6
568.26288	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	569.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48481	0.8
66.25838	0.8
66.90449	0.8
71.45462	0.8
96.74138	0.8
111.00918	1.0
120.75478	0.9
169.63509	0.9
199.46262	1.0
202.34558	0.9
287.37103	1.1
322.04727	1.4
347.05426	1.4
349.07349	1.1
374.04449	9.2
378.07300	3.2
389.06717	26.5
402.03918	7.6
406.06842	1.8
415.04553	12.0
417.06195	94.1
433.05710	4.6
434.06693	1.3
447.07272	1.1
449.08835	100.0
569.10614	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	569.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48910	0.5
53.57406	0.5
59.01374	0.8
61.86861	0.7
71.01384	10.2
115.00349	6.8
119.05019	26.1
119.06281	0.8
122.87929	0.8
163.04012	100.0
265.38147	0.8
279.05106	13.6
299.12921	1.0
447.10919	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	569.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
60.98490	0.6
65.00333	10.6
71.82012	0.7
83.01396	3.9
87.00903	0.9
88.98795	1.4
96.35583	0.8
107.01401	21.1
121.02950	3.4
123.04521	4.4
124.73801	0.8
125.02426	8.6
135.04530	4.5
149.02449	1.8
150.03221	7.9
151.00372	100.0
151.03996	18.2
152.01138	4.1
169.01337	1.4
175.04048	0.9
176.01147	1.0
177.01939	1.2
178.99872	4.7
193.05144	0.9
199.04019	1.5
213.05801	0.9
215.03351	1.2
217.05104	1.0
228.95753	0.8
241.05052	1.3
241.10692	0.9
243.02962	1.0
271.02454	1.3
272.02914	1.0
285.04059	57.2
296.24728	0.8
300.02829	1.3
301.03180	1.1
302.03342	3.0
303.04907	3.2
431.20670	1.5
443.09732	1.7
450.86588	0.9
569.13049	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1317
Annotation	cudranian 2
Peak:m/z	Relative Intensity
51.05751	0.8
57.03451	3.9
57.64122	0.8
59.01384	76.3
59.39101	0.9
61.01792	1.1
66.44574	1.0
70.54159	1.0
74.17117	1.0
75.00849	0.8
76.31417	0.8
79.99159	0.9
83.01372	1.4
88.98813	8.6
89.02422	1.3
95.01395	1.6
109.02960	1.4
117.66103	0.9
121.02940	2.3
123.00928	1.2
124.01614	1.6
125.02445	100.0
131.63574	1.1
137.02438	2.2
139.04025	1.1
144.64757	0.9
149.02449	4.3
150.03200	2.2
151.00391	9.0
151.04007	6.1
152.01149	18.2
153.01930	5.9
175.03969	4.8
176.01123	1.5
177.01973	4.2
178.99876	7.3
179.36009	1.2
180.00708	1.4
183.51532	1.1
189.05583	3.7
191.03522	1.3
193.05119	4.2
203.07190	1.3
215.07162	1.3
216.04323	1.2
217.05069	13.3
231.06674	1.9
231.86656	0.9
241.05118	1.1
257.04614	1.4
259.06116	8.9
275.05603	5.9
284.03076	1.7
285.04077	25.3
303.05167	4.0
323.19318	1.1
347.18674	5.3
356.05685	1.0
541.13605	6.2
551.11914	5.0
569.13110	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1519
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
58.99799	1.2
59.01390	1.4
70.75813	1.4
71.01385	2.2
75.00858	2.4
84.58086	1.2
85.02950	5.2
90.01948	1.2
101.02432	5.1
103.64007	1.2
109.02975	1.5
109.12341	1.3
111.00907	1.8
116.92813	2.2
119.05048	1.5
121.02944	7.8
129.01971	1.7
139.04039	4.5
145.02950	10.9
147.16383	1.3
153.01930	6.4
157.06493	1.4
165.01849	1.6
183.02994	2.0
197.06042	1.4
201.05556	5.6
207.05104	8.4
211.07480	1.4
213.44681	1.3
215.03493	10.3
215.10638	1.2
227.03494	1.6
229.05093	5.7
239.07156	1.8
241.05093	24.0
243.06528	2.3
245.04550	8.8
245.98143	1.4
253.05136	12.3
255.06677	5.3
257.04669	3.2
258.05167	2.3
265.05307	1.6
269.04514	1.6
271.06039	2.9
281.04498	8.7
283.06125	34.9
286.04721	2.8
293.04520	1.8
311.05676	3.2
343.08206	2.5
361.09375	8.1
431.10065	3.1
449.11096	18.3
569.15192	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	569.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07780	1.1
58.74872	1.0
59.01380	8.5
71.01373	1.5
73.94820	1.2
77.02887	1.3
81.22337	1.1
83.01396	14.1
84.51223	1.1
87.04476	1.1
88.98797	5.4
92.19341	1.2
97.79486	1.1
108.02174	1.3
109.02937	2.6
121.02945	2.7
122.03701	6.1
123.04507	6.2
134.03741	11.1
134.04623	1.2
136.05316	2.6
137.02420	9.8
137.06058	2.6
137.09702	2.3
139.04077	1.8
146.03751	16.1
147.04494	4.4
149.06099	12.0
150.03226	4.7
151.03987	12.4
152.04807	1.4
153.01901	1.4
153.05566	1.3
155.10774	8.0
159.04491	1.7
161.06090	13.1
164.04779	15.1
165.05527	2.8
175.03996	6.1
176.04785	19.3
179.05910	1.4
179.07158	21.4
189.05525	2.7
190.06367	13.7
191.03555	2.5
191.07172	1.9
204.04272	2.8
205.05043	2.0
205.08939	1.2
206.05713	1.4
207.95824	1.3
220.03755	14.4
233.82523	1.3
235.06128	5.5
274.44568	1.3
357.09784	18.6
358.10663	7.2
371.11362	100.0
372.12073	4.6
373.12979	13.3
427.13910	13.4
471.57367	1.3
521.17981	5.1
527.25006	2.0
533.17908	3.0
551.19293	12.9
569.10785	8.1
569.20258	14.5
569.29480	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	569.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42164	1.0
59.01382	2.5
61.98824	5.8
66.34558	1.0
75.00838	1.0
82.34838	0.9
83.01402	9.2
85.20213	1.1
88.98787	2.1
108.02168	1.1
109.02938	2.0
121.02936	1.7
122.03731	5.4
123.04524	7.4
123.10239	1.1
128.45967	1.0
134.03729	9.0
136.05284	4.3
137.02438	7.1
137.06056	1.9
146.03738	18.0
147.04512	6.0
149.06087	5.9
150.03192	2.1
151.04008	11.6
159.04492	1.4
159.25861	1.1
161.06088	11.4
164.04787	13.0
165.05540	2.4
175.04019	7.9
176.04778	16.8
177.05653	1.2
179.07155	17.4
189.05669	1.2
190.06380	15.0
191.03545	1.9
191.07127	5.2
203.03377	1.1
203.34431	1.1
204.04262	4.3
205.04947	1.3
220.03757	18.8
234.05269	2.1
235.06000	5.0
312.09976	1.2
343.11777	1.5
357.09790	15.0
358.10547	5.5
371.11368	100.0
372.12042	5.4
373.13153	9.8
427.13998	12.5
521.18262	8.1
533.17975	6.3
551.19147	18.1
569.11090	1.2
569.20428	5.3
569.29724	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	569.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.7
64.18431	1.9
65.48243	1.9
86.19009	2.3
89.02450	2.3
92.19508	3.6
108.02155	3.6
109.02951	5.7
113.40522	2.8
114.53551	2.2
122.03768	2.5
123.04516	14.4
125.02444	11.4
137.02446	2.8
142.30696	2.5
145.02934	3.8
148.05315	3.1
149.02475	15.9
150.03217	75.7
151.03958	4.6
159.04430	9.6
160.05266	11.2
161.06010	3.7
162.97589	2.4
164.04773	5.0
165.05563	100.0
172.05313	3.1
173.06085	20.3
180.04338	5.6
181.05019	2.3
195.06654	30.5
204.04358	2.7
217.05054	18.2
219.06616	4.1
231.06616	13.0
281.08206	3.7
285.04022	5.0
295.09705	5.0
296.10379	5.0
303.05139	5.0
311.12921	4.5
316.75912	2.9
355.11966	34.6
373.12808	21.3
459.18225	4.0
503.17258	24.3
515.17114	4.8
521.17737	4.8
533.17871	18.9
551.19458	19.8
569.20697	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	569.2037
Annotation	(-)-7'-Hydroxylappaol E
Peak:m/z	Relative Intensity
53.47310	3.8
56.16802	5.0
59.01397	35.9
62.30141	4.2
66.36853	3.9
75.00880	19.0
85.02956	7.6
88.98787	7.0
96.49729	4.4
108.02183	19.5
109.02953	27.2
121.02988	7.8
123.04510	31.7
145.02971	6.8
149.02440	28.4
149.06133	7.6
150.03221	74.8
151.03973	9.4
159.04494	11.5
160.05357	36.3
162.06885	9.3
163.07623	6.0
164.04781	19.9
165.05554	100.0
172.05290	17.7
173.06097	41.8
180.04326	8.4
186.62732	4.9
186.90233	4.7
195.06612	26.1
207.06633	6.2
209.26555	5.2
217.05099	57.0
219.06567	7.4
231.06622	29.8
295.09851	8.4
296.10541	32.5
311.12982	8.3
340.09579	8.5
353.13986	8.7
355.11945	53.5
373.13019	90.7
422.08557	5.0
427.13968	5.9
503.17062	37.0
521.18103	47.4
533.18365	38.0
551.19464	39.8
569.20154	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96396	50.6
66.41225	59.8
72.41788	61.4
76.97246	67.7
95.83983	64.8
125.09721	100.0
310.64359	69.4
408.56241	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	569.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54846	0.9
52.09807	1.1
55.61617	1.1
59.01385	100.0
65.74987	1.1
71.01360	1.5
73.02923	1.9
86.53870	1.2
87.00878	1.4
88.98812	2.3
95.16407	1.1
105.01962	1.3
121.03033	1.4
123.04516	1.3
137.09737	5.1
151.00391	1.9
151.03958	2.3
155.10785	16.7
169.12242	2.3
193.05060	1.5
199.09784	4.6
210.19029	1.2
259.90845	1.2
329.17386	1.3
347.18506	1.8
371.24341	2.6
385.05487	1.2
507.20493	2.1
509.23886	2.5
527.24591	1.6
569.29767	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67015	1.3
57.69969	1.3
59.01388	100.0
61.98845	1.9
72.99290	2.2
85.02950	2.2
86.93189	1.4
88.98797	3.1
89.02474	2.2
94.91808	1.4
105.93498	1.3
108.02146	1.6
109.02957	2.3
121.02960	2.3
123.04522	2.4
125.02432	7.1
136.01582	2.6
136.90190	1.4
137.02490	2.6
138.08554	1.7
148.05318	2.8
149.02460	5.6
150.03235	22.0
151.00427	2.0
151.04001	6.4
165.05576	28.7
173.06041	8.0
195.06624	8.7
197.51076	1.4
217.05052	6.6
219.06775	1.9
231.06644	2.1
285.04044	6.5
289.07141	3.0
296.10519	2.4
303.05106	7.8
318.11545	1.4
355.11893	6.6
371.24600	2.4
373.12930	19.1
383.47427	1.7
447.18231	1.7
509.23990	6.5
509.33810	9.0
521.18256	6.0
524.31390	1.5
533.18481	3.2
549.82074	1.7
551.19421	2.9
569.20007	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	569.2612
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
54.79498	1.0
59.01388	100.0
73.02953	1.8
85.02946	32.2
87.04520	1.3
88.24600	1.0
101.61812	1.1
110.47378	1.0
121.02930	1.4
127.03999	1.2
135.77968	1.0
167.06926	1.0
182.26843	1.1
207.10204	1.3
228.11378	1.2
228.75946	1.2
243.13861	1.6
312.02643	1.9
329.17505	6.8
397.39355	1.2
467.22806	6.1
509.24075	10.3
527.25085	24.5
569.11469	12.7
569.26013	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	569.2611
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
59.01385	100.0
71.01373	1.3
74.17256	1.6
76.61323	1.3
88.98801	2.5
89.76284	1.7
91.11806	1.3
137.06076	3.0
180.07559	1.7
181.08601	2.3
329.01883	1.4
354.38766	1.5
365.19791	2.4
407.20798	3.3
449.21985	1.7
458.74060	1.7
467.22858	61.2
509.23840	3.2
569.25012	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	569.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44827	2.9
57.03451	4.6
57.51653	2.5
66.32856	2.8
74.21613	2.9
90.34027	3.1
109.02937	12.4
109.15206	3.3
122.82818	2.7
123.04554	7.2
125.02433	100.0
125.09724	3.0
137.02434	69.8
145.02965	28.1
149.02448	7.2
151.04015	6.4
161.06094	5.1
179.03368	3.0
185.06044	4.7
187.04016	6.7
202.06471	3.4
203.07152	27.7
205.05057	11.0
221.18910	3.6
227.07179	4.4
245.08220	29.6
253.05113	11.8
271.06165	45.7
289.07187	80.3
297.24286	19.1
419.27991	7.5
431.28000	4.2
525.32330	18.3
569.31018	15.0
569.38373	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	569.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20104	1.2
50.25364	1.3
51.03380	1.4
51.35353	1.1
51.48568	1.1
57.03416	1.5
59.01384	2.2
65.55519	1.5
65.67649	1.4
68.11568	1.4
71.01386	1.3
71.05013	1.5
72.99303	2.9
73.02943	7.3
76.07823	1.3
85.02946	10.3
89.02453	1.7
97.06601	21.2
101.06070	3.3
109.06580	2.7
125.02436	7.9
127.07655	12.0
131.07137	2.1
141.09225	2.0
145.08824	1.9
153.09238	6.7
189.11359	43.6
233.15366	1.8
249.15089	2.2
262.54370	1.6
301.17963	6.0
319.19104	10.8
391.21185	2.2
398.76331	1.9
399.25632	3.0
427.56247	2.2
509.31241	100.0
595.84930	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	569.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38737	0.6
57.03980	0.8
57.49049	0.6
59.01387	13.0
62.30974	0.7
73.02963	1.3
82.31132	0.7
83.05046	1.8
85.02958	4.0
87.04513	1.0
89.63190	0.7
91.54748	0.7
97.06583	9.6
107.33206	0.8
109.06638	1.2
113.06109	1.6
125.02420	1.0
125.06057	1.0
127.07619	1.8
147.08141	1.1
151.07646	1.4
153.09137	1.7
157.12256	1.0
165.09210	4.7
173.11838	13.5
187.11281	1.1
189.11357	14.1
205.12349	1.9
231.13936	0.9
245.19272	1.0
251.12843	1.1
287.16589	1.1
299.16608	1.7
301.18051	1.9
317.17661	1.5
319.19086	4.7
335.18762	3.0
335.63837	0.8
339.21771	20.0
379.24911	20.1
408.21411	3.3
434.80838	0.8
491.30099	4.5
509.31229	100.0
569.33746	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	569.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42422	1.1
57.46765	1.0
59.01388	100.0
60.01715	1.7
61.98829	7.7
63.86905	1.2
73.17921	1.3
85.02952	5.6
87.00878	3.3
88.98797	11.6
89.02442	2.5
127.11320	1.8
167.10771	1.7
171.13930	14.3
207.13937	5.3
270.14255	1.3
270.39862	1.4
283.17010	1.7
301.18164	5.1
319.19119	7.3
359.18829	1.4
377.06708	2.8
379.28918	1.5
389.06891	1.5
433.05765	17.2
491.33789	24.7
509.34811	22.0
525.30231	1.6
551.09918	5.4
569.37170	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97381	0.7
53.89268	0.6
54.22192	0.6
55.30256	0.6
61.96711	0.8
69.41175	0.7
72.99309	22.0
74.00047	0.7
75.00875	6.2
85.89165	0.7
91.51905	0.8
132.08159	5.4
133.05315	1.2
134.40755	0.8
148.07674	8.7
176.07167	10.6
194.08237	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	570.235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.12788	1.3
79.90057	1.5
83.03073	1.4
84.00884	2.1
85.97069	1.7
102.73788	1.4
144.65216	1.5
364.11282	1.9
547.65021	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	570.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61114	1.2
52.98663	1.4
53.48838	1.4
56.01443	1.2
56.27106	1.5
58.30012	1.2
58.82372	1.3
61.98836	100.0
108.90564	1.5
109.04155	1.5
109.05936	1.4
126.67010	1.4
149.03235	1.3
158.19685	1.4
161.57281	1.4
162.46970	1.5
283.06097	2.8
284.06485	1.7
511.09058	1.5
570.27881	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	570.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08875	0.6
60.54662	0.5
61.94865	0.7
61.98836	100.0
64.12257	0.5
65.51139	0.5
65.65311	0.5
66.77558	0.5
83.58686	0.6
84.00931	0.9
94.95842	0.6
97.09531	0.5
176.79916	0.5
210.19720	0.6
292.33682	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	570.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17491	0.6
59.01396	0.6
61.98836	100.0
63.35310	0.5
66.83970	0.6
92.20065	2.3
111.08119	2.8
118.37674	0.6
187.13464	0.8
188.13791	2.3
203.36490	0.6
510.33987	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	570.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87445	0.7
59.01384	6.3
61.98838	100.0
67.68787	0.7
197.56659	0.8
354.80252	0.8
510.34335	7.4
525.96405	0.8
590.91205	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	571.1251
Annotation	Fisetinidol-(3'-O-4')-ent-epimopanone
Peak:m/z	Relative Intensity
53.51881	0.4
63.71130	0.5
63.87642	0.4
64.69467	0.4
65.89552	0.5
87.77704	0.6
93.03445	3.4
104.45770	0.5
106.62997	0.5
111.69919	0.5
123.04544	0.6
135.04601	0.6
151.00522	0.7
161.02493	0.5
194.49698	0.5
222.09625	0.5
234.20747	0.6
236.59981	0.5
242.02234	0.6
245.04507	0.6
247.82347	0.5
252.03958	0.7
257.04547	4.6
267.06625	2.4
269.04581	3.1
281.04565	1.1
281.08084	0.5
283.02487	0.8
283.05927	0.5
284.03162	0.7
285.04056	100.0
297.04074	0.9
309.04349	0.6
312.02701	1.2
315.05106	0.6
325.03580	0.9
327.05124	0.7
375.08688	2.6
401.06671	0.8
403.04230	0.6
419.08102	0.6
433.09894	0.6
435.07370	1.0
445.05643	2.5
553.11377	13.0
571.12439	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	571.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69202	0.6
59.01382	11.1
66.90398	0.7
71.01369	2.6
73.02947	0.9
73.42620	0.7
77.82866	0.7
83.01384	31.7
89.02444	1.6
91.51290	0.6
101.02386	1.3
119.80875	0.7
122.03729	4.6
123.04497	6.0
136.01578	0.7
136.05342	0.9
137.02397	6.0
137.06067	10.5
138.03246	3.7
147.04547	1.1
151.04002	16.4
161.05954	0.9
165.05617	1.0
189.12875	1.0
205.05074	2.4
206.05779	1.6
207.06656	5.2
221.08167	11.4
225.07590	2.8
314.11520	2.9
328.79245	0.7
341.10233	1.2
341.78778	0.7
343.08176	0.7
349.20303	1.0
358.10614	31.7
373.12918	100.0
436.54153	0.7
449.26630	0.7
511.25171	3.3
525.23486	1.0
535.18188	61.3
571.22729	3.9
573.77850	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	571.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.3
71.01381	4.4
71.19063	1.1
71.26185	1.1
72.63860	1.1
83.01390	25.4
88.98801	2.0
89.02417	5.0
108.02145	1.4
119.03555	1.4
121.02981	1.3
122.03750	2.1
123.04509	6.3
136.05377	1.4
137.02455	7.7
137.06075	7.2
147.04529	1.8
150.03235	2.3
151.04007	13.7
161.11443	1.1
165.05530	6.6
169.17563	1.4
178.02702	2.4
189.12852	2.9
207.06601	2.8
221.08160	10.5
225.07672	2.1
233.11852	2.2
297.11295	1.5
349.20154	2.2
355.12537	2.2
358.10635	34.5
373.12936	100.0
396.29285	1.5
494.67413	1.4
511.26105	1.7
535.18298	66.5
553.19305	1.6
571.22095	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	571.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10868	1.8
59.01362	2.0
68.57492	1.7
81.13333	2.1
82.18070	2.0
87.00870	15.7
87.48682	1.8
102.88111	2.0
107.35239	2.2
123.04510	50.4
146.77023	2.0
149.06065	11.5
165.05582	16.7
167.03500	14.4
169.55095	1.9
193.05046	17.1
195.03041	23.6
198.75710	2.1
249.36893	2.1
255.05116	100.0
416.06613	2.2
523.17950	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	571.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
73.26239	0.7
103.66328	0.7
121.02977	5.7
140.77885	0.7
171.69171	0.7
181.08708	41.4
418.06931	0.7
490.47601	0.8
535.25378	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	571.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73530	71.2
149.30728	99.7
165.28125	91.3
550.42920	94.4
550.53516	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	571.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23251	13.5
52.28476	13.1
59.01390	100.0
65.26139	15.1
70.23115	15.4
95.93257	16.6
108.91852	17.9
125.09822	17.1
127.80863	15.6
155.56068	18.0
222.38275	16.9
313.35953	17.2
463.56613	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	571.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.5
65.61569	0.4
114.00457	0.4
121.02952	100.0
134.26070	0.4
174.45280	0.5
178.26662	0.4
198.89995	0.4
362.14056	0.6
428.80524	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	571.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52735	8.3
59.01394	10.4
73.02953	42.4
79.36369	9.3
82.32275	9.6
117.05577	100.0
121.02955	46.8
205.32410	11.5
222.46063	10.1
383.09262	11.2
571.26483	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	571.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41906	60.9
76.63869	59.8
80.28410	74.5
81.91694	57.1
92.35954	53.5
112.01436	67.1
121.02903	75.4
121.12690	68.7
124.39048	55.0
155.48914	59.8
188.58319	70.7
267.06482	83.8
315.17688	67.7
374.36029	100.0
396.00772	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16230	1.6
56.87981	1.7
62.76655	1.4
108.62652	1.6
155.85916	1.6
205.16043	2.5
249.14865	3.5
279.10251	15.1
307.09723	11.7
311.78149	1.7
322.12119	100.0
323.12909	3.5
489.64722	1.9
527.27985	9.2
571.27228	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	571.2764
Annotation	Forskoditerpenoside A
Peak:m/z	Relative Intensity
50.79619	0.8
51.42353	0.9
57.03448	1.5
59.01385	7.7
61.20182	0.9
61.98837	6.3
70.27625	0.9
71.01390	1.9
72.99314	1.5
81.03461	1.5
83.01402	1.5
83.55305	0.9
88.98808	14.0
89.02425	1.3
101.02421	2.1
121.02959	11.5
125.02437	100.0
128.16182	0.9
128.44945	1.0
131.30997	1.0
138.40411	1.0
140.12924	0.9
149.02440	6.3
221.19116	1.8
226.12460	4.0
227.08255	1.3
238.45503	1.0
239.20197	6.1
241.09813	4.3
242.10594	4.8
255.11313	1.9
257.12985	10.7
265.18066	1.5
269.12982	10.7
281.21274	24.6
283.19263	2.2
299.22119	1.1
305.21176	1.9
313.11993	5.1
314.12653	1.6
321.24155	2.1
323.22482	6.7
329.21191	2.4
347.22171	1.9
365.23196	5.0
409.22372	37.0
511.29477	1.8
517.18866	1.1
538.62665	1.0
571.27472	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02128	1.4
51.60564	1.2
51.60807	1.2
53.90573	1.2
54.71181	1.2
56.44759	1.3
57.03461	1.4
59.01385	100.0
59.69371	1.2
61.49987	1.2
62.13290	1.3
67.00291	1.5
69.03436	3.3
81.03456	7.2
83.05009	2.1
95.05025	1.4
99.04514	2.6
119.05009	6.9
121.06595	3.4
123.08162	13.0
133.06580	5.7
148.05264	1.9
149.54893	1.6
151.07663	12.9
176.80194	1.6
179.10786	12.0
217.12338	2.1
227.91167	1.5
231.13963	2.5
243.13907	2.9
249.14915	6.9
255.14177	2.1
261.14856	1.5
273.15109	11.7
301.18100	8.6
313.18091	2.7
319.19104	6.5
331.19040	6.2
349.20093	9.0
361.19925	1.8
391.21457	2.6
469.24442	51.2
511.25711	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	571.2768
Annotation	Forskoditerpenoside A
Peak:m/z	Relative Intensity
50.97277	1.5
59.01388	100.0
59.56754	1.5
60.02538	1.4
61.50943	1.6
64.60799	1.5
71.01375	19.8
85.02951	8.8
88.98799	1.9
89.02441	40.1
97.02882	1.8
101.02441	20.5
113.02456	16.2
119.03505	11.9
125.02389	2.5
126.03204	7.5
128.75957	2.0
146.94681	1.9
155.09859	2.0
161.04546	2.1
167.07103	11.4
172.67033	1.9
179.05589	7.7
191.05603	8.6
193.01395	1.7
199.32875	1.9
313.18149	8.1
349.20261	2.9
511.25522	59.6
569.74438	1.8
571.27704	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.92038	0.5
56.35849	0.5
72.89304	0.5
78.95905	22.3
79.72619	0.5
96.96960	6.5
99.09816	0.5
110.92557	0.6
122.87951	0.7
147.50157	0.6
152.99580	52.1
166.25597	0.6
223.00186	1.4
241.01198	33.5
255.23294	100.0
315.04919	5.2
320.43082	0.6
391.22473	0.9
571.28937	94.5
576.06946	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	571.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02237	0.7
75.73690	0.7
78.33236	0.7
78.95901	30.2
83.32019	0.8
96.96947	7.2
152.99588	54.9
167.98975	0.8
223.00140	3.0
240.98743	1.6
241.01190	40.4
255.23302	99.8
277.56631	0.8
315.04901	6.0
391.22443	1.0
571.28931	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	571.3049
Annotation	Schizanthine X
Peak:m/z	Relative Intensity
59.01375	10.9
61.98833	79.5
66.36442	4.7
92.19463	6.1
95.90668	5.1
232.87651	6.1
511.34323	6.5
512.28644	5.5
571.22217	9.2
571.30536	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	571.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93409	0.9
73.32751	1.1
90.72900	1.1
101.37880	1.0
109.02934	4.3
113.68607	1.3
133.02899	1.1
145.02959	1.8
153.01939	15.4
160.40514	1.2
165.01904	11.5
177.01942	8.4
181.01430	6.1
187.03957	1.5
192.00537	1.9
204.19461	1.2
221.19118	39.2
229.05090	1.2
239.20183	5.6
241.21477	1.3
265.15277	1.5
265.18094	39.2
269.21204	6.8
269.64972	1.3
283.19107	36.6
287.22305	62.2
299.05475	11.4
301.20215	22.9
317.06711	16.6
421.26089	5.7
486.33450	1.3
553.41589	1.4
571.29401	11.9
571.42224	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	572.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
60.55724	1.1
61.98838	93.2
142.27509	1.4
185.89725	1.4
299.16516	6.4
329.17606	33.1
347.18671	100.0
450.43469	1.5
509.23920	96.2
512.25928	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	573.1049
Annotation	Fisetinidol-(4alpha->2')-robinetin
Peak:m/z	Relative Intensity
59.01387	9.1
71.01385	4.2
78.41473	0.7
83.01389	0.7
85.02917	1.1
89.02435	5.9
89.53390	0.6
99.15326	0.7
101.02423	3.5
101.13380	0.9
105.91951	0.8
110.12885	0.8
113.02434	1.2
121.02939	3.6
125.02464	1.0
137.02405	1.3
149.02390	1.2
151.00377	8.4
151.10712	0.8
160.68509	0.9
161.66791	0.8
163.00389	1.6
164.01164	9.1
165.01932	3.4
178.99863	4.6
190.99919	1.6
243.03001	27.7
253.05019	1.3
255.03029	1.4
257.04602	1.1
263.38718	0.8
269.00772	1.2
271.02374	1.1
271.06064	6.2
283.02521	3.5
300.02771	3.0
301.03555	100.0
321.04132	0.9
341.02841	1.3
351.21930	6.8
390.82327	1.0
393.06128	1.1
411.31744	0.8
437.05228	21.6
447.07288	4.3
513.27252	11.8
555.09253	1.6
573.10657	15.1
573.29962	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	573.1044
Annotation	dimeric 9-hydroxyrubrofusarin
Peak:m/z	Relative Intensity
56.80793	1.4
59.01371	10.9
61.98824	4.2
63.78543	1.5
65.35381	1.7
68.26242	1.7
71.01374	4.0
76.00404	1.8
79.73457	1.7
80.83716	1.6
85.02922	2.0
89.02422	4.3
99.00881	2.0
101.02454	6.0
102.81992	1.8
109.02930	2.3
121.02920	2.1
125.02459	12.7
137.02399	3.6
151.00380	2.4
161.02391	7.9
163.00357	8.4
164.01147	6.8
165.01877	6.6
165.05518	2.0
176.01151	2.5
177.01900	13.0
181.80276	1.6
211.03973	3.3
215.03348	4.2
217.05080	2.9
227.03491	6.9
229.27911	2.2
239.03415	4.2
241.05119	2.6
243.02922	11.5
245.04669	2.9
253.05151	2.0
255.02997	35.8
255.06578	3.0
256.03659	3.3
257.04514	4.3
269.04495	8.4
281.04489	3.7
283.02481	56.8
284.03275	18.2
285.04019	38.0
297.03888	9.8
301.03528	22.0
305.04938	1.9
316.92374	1.8
321.03873	2.3
323.05441	2.3
325.03503	3.4
351.21991	5.8
361.07031	2.5
367.24881	22.1
375.27829	2.6
419.26334	1.8
421.05441	2.6
437.05188	4.0
447.07162	21.6
513.27625	14.1
529.11420	3.7
573.10327	100.0
573.29950	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	573.105
Annotation	Hypnumbiflavonoid A
Peak:m/z	Relative Intensity
59.01404	3.4
69.23380	2.4
71.47073	2.9
78.33594	2.4
83.01420	2.8
90.78501	2.9
92.19321	5.4
109.02920	13.0
118.54224	2.9
125.02415	4.8
164.01111	4.1
165.01927	18.6
175.04042	3.0
177.01927	48.4
185.06168	5.4
187.03992	15.0
191.03517	5.6
201.05476	4.4
202.99831	6.3
203.03499	3.7
211.04034	3.9
213.05635	3.7
214.02690	5.2
215.03563	22.0
227.03535	4.0
229.05023	13.6
242.02187	5.2
243.02936	3.6
251.38867	2.9
255.02930	5.1
257.04523	4.2
283.02530	5.0
301.03503	33.3
323.05566	3.9
327.05203	23.7
393.05841	3.2
437.05185	88.6
573.10358	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	573.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57964	0.7
67.01894	0.8
68.41206	0.7
69.03448	1.5
78.67563	0.7
81.03453	1.8
95.01392	1.5
95.05014	1.8
97.02940	10.9
109.02959	1.3
111.04518	4.7
111.50060	0.7
121.74984	0.7
123.04523	63.8
123.07359	0.8
151.04016	1.2
153.05574	100.0
186.40404	0.8
197.04573	52.8
567.34540	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	573.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50417	1.0
51.28211	0.9
53.21569	1.0
56.31833	1.0
59.01380	4.6
61.84637	1.2
61.98833	4.6
71.01382	4.6
71.77365	1.1
72.17773	1.0
89.02464	1.6
101.02437	1.2
121.02938	1.9
122.03727	2.2
134.03700	1.2
135.04550	1.3
148.25247	1.3
149.02451	29.6
149.06097	1.5
150.03218	60.3
158.81018	1.1
164.04773	21.2
165.05560	100.0
166.06334	29.7
167.07118	2.6
175.03967	4.9
180.04234	6.1
181.08714	27.5
195.06631	41.9
221.13579	1.1
267.06497	1.7
270.09039	2.2
285.07568	2.6
298.08344	1.9
313.10730	5.6
314.11621	11.5
329.10229	5.4
329.13937	13.8
343.11832	18.4
347.16141	1.2
351.21878	2.0
377.15976	9.8
391.14063	6.1
513.26849	6.9
525.21338	41.7
573.23328	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	573.2486
Annotation	Barbatin A
Peak:m/z	Relative Intensity
52.29111	11.0
92.20102	17.7
110.28679	12.1
115.87434	11.6
118.29012	11.5
121.02986	50.0
125.02496	15.1
137.02451	19.4
151.03989	13.0
160.30882	13.4
165.01907	78.1
190.21788	11.9
283.49731	14.0
289.07425	18.2
390.81329	12.8
514.07733	13.2
573.24323	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	573.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05940	0.7
52.70210	0.7
57.47854	0.7
58.36690	0.8
59.01385	62.2
61.98849	1.1
68.10516	0.8
87.00777	0.8
88.98837	1.0
113.47091	0.9
121.02950	100.0
125.02435	3.9
153.01932	14.4
207.25656	0.8
217.29118	1.0
224.72072	1.0
356.57974	0.9
419.24518	1.7
560.60419	1.1
573.26794	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	573.271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58966	1.0
59.01385	100.0
61.98820	1.2
73.02892	1.0
97.45316	1.2
121.02941	21.6
159.01707	1.0
161.90793	1.1
165.91769	1.0
177.97720	1.1
234.99977	1.1
276.41791	1.0
300.40961	1.0
349.23828	6.4
555.28125	2.5
573.28107	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	573.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64038	0.8
59.01377	4.3
59.21794	0.7
61.98823	1.5
68.76261	0.8
71.01379	1.3
73.12762	0.8
87.47426	0.8
88.98772	1.6
89.38403	0.9
95.05027	0.9
122.06094	10.1
123.06862	1.1
124.07654	1.1
136.07637	1.9
140.09749	0.9
146.06142	9.4
212.10829	0.9
226.12416	7.3
227.08272	18.7
227.11925	2.0
230.10553	1.9
240.09039	1.4
241.09819	49.1
242.10606	17.0
244.12093	1.9
253.09694	1.1
255.11400	31.7
258.13776	3.6
259.14520	28.7
269.12949	32.4
270.13742	5.8
271.14337	0.9
313.11981	12.0
314.12750	11.0
351.21698	2.0
404.20547	1.0
411.23969	5.1
573.27307	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	573.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92521	1.0
53.75389	1.0
54.14457	0.9
59.01390	2.3
59.33894	0.9
61.98838	1.9
71.01373	1.0
74.35861	0.9
79.05476	0.9
101.02457	1.2
122.06122	15.9
123.68839	1.1
125.02477	2.4
136.07654	2.4
141.64388	1.3
145.65289	1.1
146.06123	9.8
147.06938	1.1
162.70070	1.1
226.12422	10.3
227.08272	23.3
227.11855	1.4
230.10631	1.8
239.50966	1.2
240.09117	1.2
241.09827	44.5
242.10596	17.4
244.12012	1.5
255.11409	31.9
258.13861	4.4
259.14523	26.9
269.12946	32.1
270.13797	4.0
313.11972	12.4
314.12805	12.2
362.18866	4.7
437.91827	1.3
573.27301	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	573.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54549	0.9
56.60531	0.9
59.01390	3.1
61.98824	2.0
63.53567	0.8
64.56587	0.9
83.87931	0.9
92.19517	1.8
94.24208	0.9
109.02952	0.9
118.74415	0.9
121.02973	1.4
122.06090	4.9
123.04508	1.2
125.02436	2.0
132.61119	0.9
137.02415	1.1
146.06111	4.0
151.03938	1.0
164.01068	1.3
179.03499	3.5
190.25531	0.8
198.18604	0.9
226.12396	8.8
227.06030	1.0
227.08237	22.0
229.48247	0.8
241.09814	48.0
242.10583	19.9
254.10641	1.5
255.11389	31.7
258.13705	1.9
259.14600	11.9
265.23001	1.1
269.12955	32.6
270.13742	7.1
271.06104	1.3
285.07535	1.0
313.11942	8.3
314.12830	9.0
314.33328	1.0
364.16486	1.0
392.19543	0.9
394.21597	1.3
463.97144	1.2
545.15295	1.0
554.03766	1.0
558.73932	1.0
573.27264	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	573.2922
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
51.82639	1.4
54.88110	1.5
56.14122	1.8
58.43694	1.6
59.01386	100.0
59.98084	1.6
69.61090	1.9
71.01379	56.2
72.99310	2.7
73.02954	2.4
75.00897	2.8
75.98003	1.8
85.02952	4.3
87.00857	7.5
89.02442	86.3
95.01424	2.4
101.02444	35.1
102.13735	1.9
113.02433	31.3
119.03502	32.0
125.02466	2.5
137.02481	10.6
139.04085	2.6
143.03430	2.7
150.80598	1.8
161.04584	8.4
164.01161	12.5
165.01955	2.6
179.05621	54.6
185.08165	4.1
187.09715	6.8
203.07144	2.3
271.06296	14.2
311.93900	2.0
411.10342	2.1
452.18549	2.5
455.14908	2.0
513.27081	32.2
556.77032	2.1
573.21289	3.5
573.29291	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	573.2924
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
59.01384	100.0
61.59639	1.2
65.10851	1.1
71.01383	56.3
73.02945	2.2
75.02805	1.4
77.52630	1.3
77.56761	1.4
78.12789	1.1
79.82990	1.3
85.02945	7.1
87.00870	2.8
89.02440	90.5
94.38754	1.5
95.01388	2.5
96.19543	1.3
101.02449	30.0
108.09196	1.3
108.91100	1.5
113.02444	27.2
119.03491	38.2
128.68224	1.6
131.03485	2.8
142.30263	1.2
143.03516	6.3
149.04610	1.6
152.37233	1.3
161.04565	11.1
179.05603	61.4
179.46848	1.3
255.12196	1.9
282.05518	1.4
353.37311	1.4
457.13412	1.4
513.26947	9.9
573.29059	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	573.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54286	0.9
53.68729	0.9
55.01865	1.2
56.16746	1.0
59.01386	100.0
66.29123	1.0
67.36864	1.0
71.01379	24.1
73.02958	2.3
75.00907	1.2
83.01397	1.3
85.02943	5.7
89.02441	40.2
96.96012	1.6
101.02429	18.4
109.06609	1.8
111.00871	2.2
113.02436	13.7
119.03495	17.7
143.03508	1.8
161.04559	2.9
165.05519	1.6
179.05595	16.9
257.15540	1.9
313.23257	1.3
351.21860	2.7
374.73660	1.3
393.19296	2.0
437.21817	2.4
513.20087	1.9
513.27148	44.4
573.21338	3.8
573.29315	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	575.12
Annotation	Proanthocyanidin A2
Peak:m/z	Relative Intensity
51.48156	0.6
57.03433	0.7
59.01379	9.1
60.43058	0.7
61.98821	0.9
66.35030	0.7
71.01385	4.1
73.02938	0.7
74.15549	0.7
77.54601	0.9
83.01398	1.8
85.02917	1.1
89.02431	3.9
91.27962	0.7
97.13762	0.7
98.03659	0.7
101.02428	1.9
109.02934	1.8
113.02445	3.0
119.03448	1.3
121.02915	1.0
122.03752	8.5
123.04504	1.8
125.02441	13.4
137.02446	13.4
139.04037	0.9
147.04491	1.3
149.02486	1.0
151.03928	3.5
159.04454	1.0
161.02483	9.2
162.03152	0.8
163.04042	1.4
164.01155	1.5
165.01912	4.3
167.03526	3.2
175.03984	5.1
179.03490	1.3
187.04086	0.9
189.01932	1.3
189.05576	1.3
191.03499	1.1
199.04018	3.1
200.04591	0.8
201.05554	1.6
203.03410	3.0
203.07100	1.1
205.05057	1.5
213.05656	1.1
215.03606	1.3
217.04962	1.1
219.06477	0.8
227.03482	4.0
228.04419	2.4
229.01382	1.6
229.05013	7.4
230.02264	1.0
231.02924	1.7
241.04994	3.7
242.02222	2.7
243.03024	16.0
244.03641	4.1
245.04625	3.7
247.06013	1.0
255.02934	3.3
256.03723	1.0
257.04581	4.5
261.30319	0.9
269.04605	4.4
270.01904	1.6
270.05264	1.3
271.02493	53.8
272.03333	1.0
275.05557	1.1
283.02402	1.9
285.04022	4.8
286.04861	1.0
287.05643	5.4
326.04340	1.5
391.08597	1.1
394.06934	12.6
407.07614	3.4
437.08572	1.3
449.08887	4.0
515.28693	7.0
525.52258	0.9
539.21344	4.9
575.12006	100.0
575.27765	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	575.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36079	2.3
53.40081	1.9
57.03449	2.8
64.03160	2.2
67.72990	2.3
78.12383	2.2
87.51842	2.1
93.03463	2.3
97.02977	3.3
108.97871	2.3
109.02957	21.6
121.02850	2.6
121.55746	2.4
122.03706	12.3
123.04513	46.8
125.02443	80.0
133.02940	5.1
137.02438	36.5
139.04019	9.8
149.02412	2.4
151.03999	20.1
154.05751	2.5
161.02448	8.5
161.06078	2.8
163.00348	5.1
164.01160	100.0
165.01886	26.0
165.83086	2.2
178.02753	2.9
179.03522	36.5
179.59602	2.2
185.06071	3.8
203.07182	13.1
221.21445	2.8
228.04117	2.6
250.12512	3.1
255.02979	5.1
256.03748	10.8
271.06128	54.6
283.02667	2.6
289.07230	10.7
294.19751	2.4
297.03879	3.4
303.08801	29.8
328.29459	2.8
343.08087	5.3
407.07886	3.7
421.09351	46.8
435.10959	2.8
439.10098	3.5
449.12332	11.0
504.60889	2.8
575.15710	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1566
Annotation	Fisetinidol-(4alpha->8)-6-C-methylcatechin
Peak:m/z	Relative Intensity
50.26893	1.3
57.03453	8.7
59.01376	2.8
63.31941	1.5
64.07257	1.5
69.60574	1.5
85.28717	1.7
93.03472	2.1
104.69061	1.6
109.02956	18.6
122.03723	8.4
123.04520	51.6
125.02438	100.0
127.71048	1.7
133.02940	9.1
137.02444	24.4
139.03964	9.1
145.02991	2.0
146.89258	1.7
150.03156	1.5
151.04008	16.5
161.02435	9.5
163.04019	6.8
164.01144	85.6
165.01939	28.7
177.01956	2.4
178.02670	3.0
179.03488	27.7
185.06097	3.2
193.05023	2.3
203.07159	2.3
204.00656	2.7
217.04968	2.5
219.03122	1.8
229.05115	2.8
243.02934	1.9
243.06541	2.1
253.05095	2.9
255.03023	6.3
256.03769	9.6
257.04395	2.0
270.05441	2.2
271.06100	39.7
281.04553	2.0
283.02478	2.8
285.04056	2.8
287.05664	3.0
287.09094	2.1
297.03967	2.3
303.08707	20.7
323.69778	1.8
343.08157	7.2
355.21777	1.7
406.57367	1.9
407.07697	3.4
421.09387	42.7
449.12262	3.8
515.28839	2.0
572.06451	1.8
575.15845	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.4
60.17432	3.9
107.30215	4.9
109.02955	28.8
123.04513	64.1
125.02449	87.7
133.02930	23.1
137.02486	60.1
139.04002	31.2
151.03972	20.6
161.02408	7.8
164.01154	100.0
164.26591	5.0
165.01897	21.3
178.02748	5.1
179.03506	67.7
203.07184	12.1
228.04382	5.6
244.97981	5.3
245.08142	5.5
271.06195	67.0
289.07162	28.7
303.08798	34.6
421.09537	45.7
439.09955	7.5
575.14960	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.0
59.01380	5.3
60.07519	1.2
71.01366	2.1
76.14182	1.2
82.30497	1.1
83.01413	1.5
88.09990	1.5
89.02434	1.7
89.43920	1.5
95.05015	2.0
97.02919	2.2
97.62172	1.3
109.02945	18.3
120.27487	1.6
121.02949	2.2
122.03722	9.7
123.04519	54.6
124.01594	2.6
125.02436	96.9
133.02945	9.4
135.04585	2.7
137.02437	27.7
139.04002	10.0
143.07158	3.1
145.02899	1.9
151.04050	13.1
155.10750	2.3
161.02443	8.8
163.00356	1.8
163.04010	6.0
164.01154	100.0
165.01915	29.2
172.94231	1.3
175.04021	2.1
177.01848	1.5
178.02707	2.9
179.03506	33.6
180.77060	1.3
181.05087	1.9
185.06036	2.9
187.04041	1.5
193.05078	2.3
195.06613	1.8
203.07127	7.7
204.00520	2.3
205.01411	1.6
219.03052	3.1
228.04268	2.1
229.05130	2.6
243.02966	2.5
253.04964	3.2
255.02954	5.8
255.06674	3.2
256.03864	10.4
269.04532	2.4
271.06140	52.9
281.04605	1.5
282.01697	2.5
283.02377	2.1
285.04169	2.1
287.05801	2.5
297.03918	2.5
303.08725	25.0
343.08279	8.8
353.10165	2.4
407.07648	6.7
421.09293	39.7
439.10287	1.5
449.12943	9.4
515.28571	5.3
575.15948	44.0
575.23975	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	575.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.25863	1.6
81.67329	2.0
84.26877	1.6
88.89144	1.6
101.02392	1.9
121.02971	3.6
125.02435	3.6
146.61053	1.8
161.02382	2.2
182.18655	1.8
190.06250	2.0
204.04289	51.0
219.06621	59.3
249.07689	89.0
430.01559	1.9
497.67371	2.2
508.17834	2.0
575.26440	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	575.2143
Annotation	[3aS-[3aR*,4R*(Z),5R*,6E,11R*,11aR*]]-11-(Acetyloxy)-4-[[2-[(acetyloxy)methyl]-1-oxo-2-butenyl]oxy]-2,3,3a,4,5,8,9,10,11,11a-decahydro-3,10-bis(methylene)-5-(2-methyl-1-oxopropoxy)-2-oxo-, methyl ester cyclodeca[b]furan-6-carboxylic acid
Peak:m/z	Relative Intensity
50.73957	2.0
50.75709	2.1
51.35031	1.7
51.82360	1.8
59.01386	100.0
71.01383	9.7
72.41104	2.4
121.02955	65.2
150.08687	2.0
151.04036	2.4
159.07603	1.9
163.03746	1.9
199.11076	2.8
200.42209	2.0
217.12321	11.8
241.99750	1.9
275.12842	4.3
393.15543	18.8
486.88989	2.5
513.57123	2.2
515.19312	65.1
557.20496	9.1
575.21271	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	575.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50359	0.9
59.01368	6.9
61.98814	4.6
62.90543	1.0
66.78481	0.9
71.01372	2.2
83.01368	2.1
85.02935	2.4
89.02440	1.8
92.19447	2.4
96.35558	1.0
97.02988	7.7
98.75250	1.3
101.02432	2.2
109.02319	1.2
109.02952	21.9
109.20524	1.1
113.02402	2.0
121.02917	4.6
122.03675	1.4
123.04527	10.7
125.02431	20.4
127.04041	1.2
135.04501	2.4
137.02432	14.9
139.03993	1.8
143.07188	1.4
146.39679	1.1
149.02429	5.1
151.04034	10.6
159.04448	2.1
161.06029	9.4
162.03218	1.7
164.01112	1.9
165.01926	7.8
167.03400	4.2
174.11714	1.0
175.04007	4.6
179.03461	13.9
187.04010	7.6
188.04778	4.8
201.05542	1.1
202.06355	2.4
203.07153	30.1
205.05048	22.5
215.32484	1.1
221.08151	4.7
227.06989	4.4
245.05765	1.6
245.08186	35.6
247.06003	1.9
271.05945	1.5
289.07211	62.7
353.23245	1.2
362.18689	1.9
382.32391	1.2
387.20087	1.9
395.18411	1.7
453.17889	1.5
483.38696	1.1
515.28595	2.4
531.22351	1.8
547.81854	1.2
575.24902	100.0
579.95502	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	575.2639
Annotation	Scortechinone H
Peak:m/z	Relative Intensity
50.84001	1.8
58.65232	1.9
62.63512	1.8
63.29436	1.9
65.58730	2.0
71.01403	1.8
72.33369	1.8
90.24265	1.8
125.02457	4.3
172.06639	2.1
172.81795	2.2
264.31277	2.3
333.08441	2.2
575.17938	3.7
575.26501	100.0
595.35962	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	575.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43848	2.6
54.37971	3.2
65.57091	3.0
67.38084	3.2
68.30972	3.0
70.73029	2.9
71.58813	2.7
80.17503	3.6
81.91959	3.1
84.92934	2.9
86.66734	3.3
89.64493	3.5
101.14495	3.0
113.48870	3.2
118.52120	3.1
122.03772	3.6
125.02458	5.1
129.48988	3.0
139.47133	3.4
167.16095	3.3
175.07716	3.3
176.94394	2.9
328.01633	3.4
353.23666	4.5
399.68869	3.4
575.12335	4.8
575.26270	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	575.2994
Annotation	Sanggenol E
Peak:m/z	Relative Intensity
104.27781	56.9
153.71356	62.5
575.30054	100.0
586.94623	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.302
Annotation	Sanggenol E
Peak:m/z	Relative Intensity
67.90630	1.0
68.25932	1.1
68.26296	0.9
75.15051	0.9
88.83194	1.0
113.04023	1.0
205.15953	4.8
218.69603	1.1
233.15379	1.5
252.08008	1.3
269.08136	1.6
280.07526	1.4
281.08194	5.3
281.11902	4.4
281.72635	1.1
295.13422	2.5
296.14243	8.0
309.11349	4.6
313.14600	1.2
323.12894	11.8
324.13675	21.3
325.14468	37.1
378.55414	1.1
488.09628	1.1
529.29388	2.2
547.26080	1.0
557.29138	5.9
575.30225	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	575.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37250	0.5
59.01386	100.0
61.24173	0.6
68.26584	0.6
71.01378	10.8
76.24091	0.6
83.01382	0.7
85.02986	1.0
89.02444	17.3
89.94514	0.7
101.02457	6.6
107.57321	0.7
113.02448	5.6
119.03512	5.5
125.02472	6.0
147.98863	0.8
161.04526	2.9
173.04604	1.3
179.05620	13.9
205.22882	0.7
287.05603	1.3
352.51837	0.8
483.59937	0.7
575.30780	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	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89765	0.8
59.01380	8.0
71.01389	1.5
72.08995	0.8
73.02938	0.9
79.01472	1.0
80.26812	0.9
89.02446	1.3
101.02438	2.3
198.80853	1.1
236.66200	1.0
253.09370	9.2
279.23306	100.0
299.48441	1.0
352.48560	0.9
436.23639	0.9
515.32483	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	575.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
71.01388	1.0
89.02443	2.1
92.20026	0.7
97.85880	0.5
97.92799	0.4
101.02437	2.7
112.71071	0.4
113.02422	0.5
133.05084	0.5
148.65176	0.4
161.04572	0.9
183.93188	0.4
188.60556	0.4
222.83607	0.4
235.08203	1.8
253.09305	9.0
279.23303	100.0
515.32080	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	575.3808
Annotation	Exophilin A
Peak:m/z	Relative Intensity
51.36069	0.7
59.01385	100.0
74.17544	0.7
78.47858	0.7
85.02943	18.1
99.08159	8.1
115.17870	0.9
140.19356	0.9
147.72641	0.8
148.38791	0.8
150.28896	0.8
152.99484	0.8
153.48221	0.8
167.10683	1.5
185.11862	20.5
203.12918	88.0
205.74895	0.9
245.13989	3.5
262.17685	0.9
269.20651	0.9
371.24402	10.2
389.25537	15.9
421.56659	0.8
539.37213	1.1
557.36816	3.5
575.30188	3.5
575.38098	32.6
598.48004	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	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50285	0.5
61.98836	100.0
65.26171	0.5
72.14674	0.5
78.92895	0.5
84.18388	0.5
89.78629	0.7
100.32435	0.6
113.18237	0.7
183.75464	0.6
277.21631	1.3
278.22128	4.7
279.22281	2.5
280.22559	1.1
518.37665	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	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35921	0.4
59.59880	0.5
61.98836	100.0
63.08139	0.5
71.64035	0.5
92.19434	0.8
93.88120	0.5
98.81769	0.6
114.26025	0.6
135.06526	0.6
151.30975	0.5
181.67484	0.6
186.91347	0.6
277.21622	2.4
278.22089	2.6
279.22638	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	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25787	1.3
53.09261	1.6
59.01382	10.4
60.81500	1.3
61.96640	1.7
66.70980	1.5
69.80890	1.7
75.69462	1.5
78.95908	2.1
88.56740	1.7
152.99568	2.2
180.87575	1.8
277.21747	100.0
502.29462	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96433	0.6
55.03879	0.5
58.53456	0.6
59.01387	16.5
78.95910	12.8
90.19629	0.7
112.07559	0.7
132.59306	0.7
152.99568	4.2
168.04277	7.2
194.30963	0.7
198.98759	0.6
209.59314	0.7
224.06909	12.8
233.22647	0.9
242.08017	1.5
271.27374	0.8
277.21741	100.0
502.29440	98.2
550.88068	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	577.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54860	0.5
59.01373	4.3
63.02396	1.1
65.00304	0.8
71.01395	1.0
83.01380	2.9
89.02411	1.1
91.95864	0.7
101.02435	1.5
107.01414	5.8
113.02441	0.9
116.78725	0.7
125.02442	13.3
137.02425	5.2
151.00369	50.8
163.00330	1.1
165.02002	1.0
167.03458	1.6
169.01405	3.8
173.06071	1.0
177.01881	0.8
178.99864	100.0
181.01404	1.0
189.05611	0.8
201.05560	4.2
213.05563	3.1
215.03468	3.5
217.05107	1.1
229.05031	10.7
231.06650	3.4
241.05054	16.3
253.05219	0.9
257.04590	4.4
259.06021	3.6
265.04941	0.8
267.02957	1.2
285.03925	1.0
295.02734	5.0
313.03513	1.1
393.06067	0.7
397.09286	2.8
439.06714	0.9
451.06992	3.2
559.08838	4.3
577.09955	36.2
577.28687	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	577.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01383	5.1
60.45820	0.5
63.02403	2.4
71.01387	1.3
82.95401	2.5
83.01377	3.0
84.62231	0.6
89.02422	3.0
96.96022	4.7
101.02441	2.7
107.01359	4.7
113.02409	1.4
116.92856	1.3
125.02447	12.9
137.02428	2.6
137.71992	0.7
151.00371	45.7
151.04021	0.8
153.01968	1.1
163.00356	0.9
165.01889	1.3
167.03447	2.7
169.01421	4.2
177.01773	0.7
178.99860	100.0
201.05556	5.0
213.05559	2.5
215.03474	2.9
229.05037	13.7
231.06645	3.1
239.03419	0.7
241.05074	13.7
245.08414	0.8
255.03177	0.9
256.39938	0.8
257.04529	3.5
259.06046	3.7
267.02850	2.4
285.04218	2.0
289.07498	0.7
290.07309	0.6
295.02499	5.7
295.05878	0.5
313.03592	1.1
320.37555	0.8
325.03940	0.8
375.04907	0.9
389.21643	3.4
397.09348	3.2
415.23117	0.8
451.06702	3.8
517.30139	2.6
531.16730	0.6
559.08990	2.4
577.09888	29.2
577.26770	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
62.05346	1.4
74.40985	1.3
74.70609	1.4
83.01382	2.3
109.02956	14.4
123.04494	7.3
123.12660	1.5
125.02441	100.0
126.15494	1.5
129.43237	1.7
131.16068	1.6
135.04494	1.7
137.02434	23.8
138.01555	1.5
138.87857	2.0
139.04044	1.7
146.11862	1.5
149.02435	2.8
151.03984	10.9
159.04587	1.7
159.54143	1.4
161.02441	23.6
164.01167	2.2
165.01953	7.3
167.03473	2.5
175.03996	9.4
177.01895	2.5
179.03505	7.9
187.04030	6.5
203.07111	12.2
205.05032	10.0
215.03531	1.7
217.04970	2.0
221.08214	1.8
227.25700	1.6
229.05132	1.8
245.04573	2.4
245.08237	20.0
255.03017	2.8
256.03748	3.0
273.04068	2.0
281.04437	3.1
287.05579	6.8
289.07153	37.3
299.05588	2.2
310.88205	1.8
339.08722	2.6
407.07690	34.8
413.95056	1.7
425.08820	32.4
451.10312	12.9
490.06219	2.1
577.13446	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	577.1357
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
57.03440	6.5
61.33390	1.3
63.33197	1.2
65.06813	1.1
83.01379	1.5
92.19458	1.5
97.02902	1.3
109.02953	7.9
119.19400	1.5
123.04527	5.0
125.02438	100.0
128.76312	1.5
137.02444	18.5
149.02419	3.1
151.03999	10.9
161.02432	26.4
161.06070	2.5
162.03154	1.6
164.01157	1.7
164.66174	1.5
165.01872	5.7
175.04015	6.4
177.02003	2.1
179.03479	5.7
187.03995	3.4
203.07117	9.8
205.01480	1.6
205.05060	3.0
245.04433	3.0
245.08185	16.6
255.02885	1.9
256.03650	3.0
273.03998	2.5
281.04593	3.0
287.05551	6.4
289.07217	37.0
362.41183	1.6
407.07782	29.0
425.08859	29.4
451.10495	12.7
478.52524	1.4
481.78369	1.7
577.13428	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	577.1357
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
52.50090	1.9
57.03448	3.7
77.61501	2.4
79.88505	2.0
86.05855	2.4
96.48582	2.2
97.02934	4.0
102.11730	2.1
109.02957	14.8
123.04514	9.6
125.02441	100.0
137.02440	21.3
139.04033	2.4
149.02422	2.4
151.03990	13.5
161.02429	33.7
164.01125	3.9
165.01984	3.6
175.03964	5.2
177.02058	3.2
179.03513	5.0
186.87787	2.5
187.03993	8.6
188.04767	3.3
203.07190	21.0
205.05066	13.8
215.03534	4.1
217.04898	2.5
221.08218	2.5
229.05043	2.9
243.02782	2.4
245.04665	5.2
245.08157	25.1
255.03041	4.4
256.03714	5.5
285.03696	3.0
287.05704	10.6
289.07208	51.0
299.05673	2.9
339.08826	5.0
407.07669	43.7
425.03677	3.4
425.08856	52.6
451.10452	20.5
577.13629	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.3
67.48577	0.8
81.03486	1.4
83.01382	1.0
97.02937	3.4
106.73578	0.9
109.02938	12.6
118.80955	0.8
119.45754	0.8
121.02879	1.5
123.04491	7.9
125.02441	100.0
135.04507	1.0
137.02448	22.8
138.82750	0.8
139.04007	1.3
149.02449	5.5
149.69508	0.7
150.03319	1.1
151.04015	15.1
161.02437	24.9
161.03772	1.0
161.06090	3.6
162.03207	2.0
163.00319	1.5
163.04117	2.8
164.01146	3.4
165.01959	8.0
167.03470	1.8
175.04004	12.7
175.07678	0.9
177.01979	5.8
178.02722	1.0
179.02104	0.9
179.03490	7.5
187.04012	9.7
188.04771	3.6
201.05464	0.9
202.06366	1.1
203.03484	1.0
203.07146	14.5
205.01515	1.7
205.05055	12.5
215.03482	4.0
217.05107	3.5
221.08192	3.9
227.03520	0.9
227.07123	1.9
229.05011	4.4
230.05852	1.1
231.02962	1.5
243.02943	4.5
244.03462	1.1
245.04497	5.1
245.08189	21.0
247.06052	2.0
253.05060	1.5
255.02878	7.0
256.03763	7.9
257.04645	1.6
269.04483	1.6
273.03995	3.4
281.04706	5.7
283.02490	3.8
285.04077	3.6
287.05649	11.3
289.07214	46.9
289.10498	1.9
297.04095	1.2
297.07571	1.2
299.05630	3.5
315.57895	0.9
318.66336	0.9
339.08701	5.5
381.09921	1.0
407.07739	51.9
425.08847	48.1
451.10367	17.9
559.12195	1.1
577.13654	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
52.50124	1.1
54.32594	1.0
55.36590	1.1
56.04868	1.0
57.03451	6.1
57.93277	1.1
83.01380	2.5
83.70402	1.1
86.52631	1.2
97.02947	2.1
109.02962	17.7
121.02955	1.1
123.04488	9.9
125.02443	100.0
133.02966	1.8
135.04488	1.4
136.03088	1.1
137.02440	21.3
149.02441	5.7
151.04056	12.2
159.04500	1.5
161.02451	31.1
161.06088	3.0
162.03259	1.7
163.03915	2.1
164.01141	1.7
165.01918	9.1
167.03532	2.4
175.04033	8.6
177.01897	5.7
179.03531	9.8
187.04068	6.7
188.04811	2.1
196.13069	1.3
203.07172	17.6
205.01387	1.3
205.05060	12.3
213.47034	1.3
215.03448	2.5
217.05057	2.1
221.08247	1.8
227.07130	2.6
229.05086	3.1
231.03082	1.6
243.02924	2.5
245.04468	5.7
245.08205	21.0
247.06255	1.7
255.02895	7.2
256.03726	7.2
269.04205	1.5
273.04041	3.1
281.04547	6.0
283.02557	1.9
285.04144	2.5
287.05679	10.7
289.07172	50.2
297.04221	1.9
299.05676	5.1
315.08774	1.4
339.08923	2.9
407.02643	2.3
407.07800	53.1
425.08853	40.9
451.04352	2.2
451.10214	18.9
577.13641	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72123	0.5
52.51142	0.5
56.78533	0.5
57.03445	5.9
83.01373	0.8
91.05541	0.8
95.10520	0.6
97.02929	1.5
109.02953	12.0
121.02969	0.8
123.04498	6.9
125.02437	100.0
137.02452	23.0
139.03986	1.2
149.02441	3.7
150.03175	0.9
151.03999	12.5
159.04509	1.2
161.01175	1.2
161.02443	23.4
161.06088	4.0
162.03235	1.1
163.00348	1.5
163.03984	2.7
164.01152	3.2
165.01987	5.0
167.03456	1.3
175.03946	7.3
177.01938	3.3
179.03485	6.6
187.04056	5.4
188.04776	3.9
191.05621	8.4
193.60622	0.6
194.65985	0.6
201.05736	0.7
202.06390	2.7
203.03513	0.8
203.07143	11.7
205.01361	3.4
205.05066	9.8
215.03404	1.2
217.05135	0.8
221.08194	3.2
227.07156	2.3
229.05077	4.4
243.03006	1.2
243.06598	1.0
245.04500	4.3
245.08176	17.7
247.06100	0.9
255.03021	4.4
255.06277	0.7
256.03751	3.7
257.04501	1.0
262.79294	0.6
269.04483	1.1
271.06128	0.7
273.04013	4.1
281.04526	3.8
283.02612	1.2
285.04004	1.3
287.05664	9.7
289.07172	45.7
299.05591	3.5
315.08655	0.6
339.08694	3.8
363.08618	0.7
381.09579	0.9
407.07678	32.1
425.08832	34.1
451.10388	13.0
577.13489	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	577.1356
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
57.03452	5.7
59.01361	1.0
77.98281	0.9
83.01401	1.5
109.02954	12.5
110.04595	1.0
114.23593	1.1
121.02988	1.2
123.04507	7.0
125.02440	100.0
125.28350	0.9
137.02449	21.7
139.03993	1.8
143.83170	1.0
147.76569	1.0
149.02458	5.4
151.04054	11.0
159.04556	1.7
161.02435	22.6
161.06094	2.4
162.03203	1.8
163.00302	1.2
163.04008	1.5
164.01158	4.3
165.01909	6.8
175.03979	7.8
177.02007	3.8
179.03461	5.7
187.03975	6.4
188.04820	2.3
199.07715	1.2
201.05600	1.2
203.07114	11.9
205.01588	1.3
205.05045	12.0
217.04976	1.1
221.08174	1.9
227.07080	1.2
229.05042	4.5
245.04527	2.0
245.08153	17.8
255.03055	4.8
256.03815	5.4
269.04297	2.0
273.03964	2.2
281.04608	2.2
287.05811	7.7
289.07202	40.8
299.05518	2.2
339.08472	2.2
381.50592	1.2
407.07724	27.5
425.08856	34.4
451.10443	16.0
577.13409	24.1
577.21771	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	577.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.1
58.81549	2.5
60.80557	2.4
61.51770	2.3
67.83386	2.4
72.67843	2.2
74.74008	2.4
76.40382	2.6
81.62755	2.9
92.20071	4.7
96.95985	4.4
121.02960	100.0
123.04533	2.8
125.02441	35.3
130.44519	2.6
137.02411	3.9
149.81825	2.7
161.02373	12.1
171.93501	2.4
177.01997	2.6
203.07117	3.9
214.60503	2.5
245.08258	3.6
281.78659	3.1
289.07184	18.6
297.95245	2.9
317.54996	2.6
325.14395	3.1
407.07785	14.6
425.08685	9.9
487.19586	3.5
541.20483	4.1
577.18665	12.1
577.26666	6.0
593.97827	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	577.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81338	14.4
56.26873	16.4
56.50547	13.9
58.76208	15.2
59.01393	34.1
59.73183	13.8
80.19202	16.7
114.23023	17.1
121.02946	64.7
125.02454	100.0
137.02454	25.4
186.44557	18.2
250.23761	18.6
289.07162	23.6
381.46262	18.0
500.27762	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	577.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54550	0.9
59.01384	13.2
60.21401	1.2
65.67513	1.1
68.00131	0.9
71.01379	11.0
72.74208	1.1
73.02954	1.6
74.16113	1.2
76.46042	0.9
82.20153	1.0
83.01372	1.9
85.02934	2.5
88.98737	1.2
89.02443	15.7
91.01892	6.6
97.61004	1.1
101.02445	12.2
106.04182	1.7
107.01355	1.9
108.02186	6.0
113.02428	4.7
119.03503	4.5
121.06627	2.5
123.04507	1.2
125.02450	14.0
137.02403	1.5
143.03482	1.0
151.00336	10.1
151.03989	1.5
161.02345	1.5
161.04477	1.6
167.03716	1.1
175.03963	1.2
177.08763	1.1
178.99886	14.2
179.05597	7.4
193.08701	100.0
216.68199	1.1
221.06583	2.6
229.04994	2.0
241.05023	2.2
251.95732	1.4
258.76883	1.1
265.63171	1.0
289.07159	2.4
323.09848	26.8
351.88196	1.2
389.21814	1.6
407.07849	1.9
425.08905	1.8
447.72855	1.0
517.19434	10.1
552.13550	1.2
577.10541	5.1
577.27734	7.8
598.07861	1.4
598.85291	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	577.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13636	0.4
54.51787	0.4
57.00585	0.4
58.45856	0.4
63.51772	0.4
84.95502	0.6
121.02952	100.0
195.16504	0.4
240.08043	0.5
243.10208	0.5
255.10120	1.5
264.45718	0.4
291.12399	4.9
371.38065	0.5
395.17108	5.0
482.26086	0.5
515.75793	0.4
517.20770	7.6
597.82678	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
59.46795	0.6
62.22635	0.6
71.01383	4.6
73.02944	1.3
77.39923	0.7
78.98594	4.3
79.95742	4.8
80.96519	50.4
85.02944	3.4
87.00876	1.1
94.98083	14.0
97.02944	3.0
99.16357	0.7
101.02428	4.4
105.40424	0.7
106.98056	1.2
112.03974	0.8
122.97561	3.7
125.02425	5.6
125.67548	0.9
127.04085	0.7
130.68689	0.8
134.97577	5.5
136.99176	1.4
144.98851	0.7
148.99101	7.5
152.98627	12.1
161.15457	0.7
164.98622	18.6
178.75195	0.8
182.99692	4.5
206.99721	5.0
225.00751	26.4
243.01715	1.7
277.21735	4.5
280.55930	0.8
299.04440	3.0
371.97015	0.9
577.26941	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90878	0.6
70.71184	0.5
71.01387	6.0
73.02955	0.9
78.98579	5.2
79.95734	5.0
80.96520	58.4
84.50626	0.6
85.02947	3.1
87.00872	2.5
91.61076	0.6
94.98084	14.0
97.02938	1.4
101.02433	4.1
106.98110	3.5
122.97562	3.7
125.02432	3.9
127.04020	0.8
134.97606	6.4
136.99086	2.4
139.22495	0.7
148.99156	7.7
150.97159	0.6
152.98631	8.3
164.98622	18.9
182.93773	0.6
184.67735	0.6
206.99678	3.8
212.64519	0.7
225.00764	23.4
232.51793	0.6
277.21744	3.2
299.04401	3.3
330.83896	0.6
343.12268	0.7
512.89136	0.8
577.26947	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	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30132	0.7
55.34184	0.8
58.08184	0.8
59.01391	1.2
59.90246	0.8
63.44770	0.8
63.50342	0.8
63.96228	0.8
71.01371	4.0
73.02966	1.3
77.78026	1.0
78.98571	4.2
79.95741	5.7
80.96516	49.3
87.00878	2.1
89.08353	0.8
92.20121	2.0
94.98075	14.4
97.02925	1.5
101.02448	2.0
106.98076	1.2
122.97565	2.2
125.02418	10.5
127.04021	1.1
134.97563	5.6
136.99095	1.5
137.02467	0.8
148.99130	9.0
152.98615	7.2
164.98610	16.0
188.04671	0.9
206.99713	2.0
225.00757	20.0
261.96628	1.0
277.21579	4.3
289.07016	1.4
299.04541	4.2
407.08020	1.1
425.08862	1.2
514.05847	1.0
577.26904	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	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08297	1.2
56.67419	1.3
57.03439	1.6
58.89420	1.2
59.01383	97.5
61.98805	1.4
70.77940	1.3
71.01376	27.5
72.48473	1.5
72.99278	1.5
73.02943	33.6
83.01391	2.0
85.02938	12.2
85.25417	1.6
87.00859	6.1
87.04517	2.9
87.75553	1.4
89.02448	34.8
92.20119	1.7
96.95992	1.8
101.02442	58.7
103.04003	20.1
109.02977	1.7
113.02424	6.3
115.04015	19.6
119.03506	12.1
119.93733	1.4
123.04473	3.0
125.02461	13.4
125.06058	6.5
131.03508	18.9
137.02454	2.8
143.03496	22.2
145.05081	7.7
163.06116	55.0
164.01224	1.5
165.01610	2.2
196.74049	1.6
199.93817	1.4
205.05270	2.7
205.07169	26.5
265.09262	7.8
271.06097	1.9
282.95956	1.6
289.07181	5.6
325.11194	1.7
325.49997	1.5
391.21246	7.4
407.07904	2.8
425.08963	5.3
499.26257	2.4
517.26489	100.0
577.14331	6.3
577.28510	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	577.2872
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.72812	0.9
58.83296	0.9
59.01111	2.2
59.01387	46.4
62.21929	1.0
71.01382	29.9
73.02940	6.9
83.01370	2.6
85.02941	10.2
87.00851	1.2
89.02432	28.5
95.01376	1.3
99.00852	1.4
100.38538	1.0
101.02438	25.8
108.79340	0.9
111.00874	1.4
113.02431	14.0
119.03498	8.1
161.04594	1.1
161.82632	1.2
266.26437	1.0
397.22144	2.2
415.23456	5.0
577.28741	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	577.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
59.01393	12.8
63.52148	1.6
63.73720	1.4
71.01393	2.6
73.02952	2.4
77.79232	1.5
85.02946	14.1
87.04520	1.8
99.04523	1.9
100.92815	1.6
109.02949	6.4
123.04557	2.6
125.02432	28.1
125.06080	55.6
131.59883	1.4
133.33636	1.5
137.02443	2.6
151.04013	3.2
154.85051	1.6
160.67520	1.7
161.02470	9.0
175.03949	3.3
177.01857	2.0
180.07910	16.5
183.11763	2.2
187.03993	2.1
203.07216	2.9
205.05069	2.7
221.11794	1.9
224.26128	1.7
249.14999	9.7
251.12840	6.6
256.03799	2.0
273.15002	39.6
287.05554	2.1
289.07162	15.0
299.05618	1.7
301.17932	5.9
303.16074	2.1
319.19278	1.7
332.85422	2.0
337.24600	1.9
355.19171	3.7
365.24258	2.0
373.20160	19.4
389.44189	1.7
391.21274	100.0
407.07794	10.8
419.25998	2.6
425.08865	9.3
437.27130	8.1
451.10028	3.3
455.28058	13.1
499.27109	58.5
577.13098	11.3
577.30347	14.6
596.05426	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	577.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37785	3.1
59.01368	5.6
71.34866	3.2
80.63072	3.4
87.47355	3.0
108.24459	3.3
125.02454	11.9
162.93523	3.9
205.15948	14.8
214.58412	3.6
231.10246	60.0
245.08411	4.6
249.14943	25.0
281.24918	31.7
308.40759	3.6
310.18481	3.7
310.97583	3.9
311.78342	3.4
313.14584	33.2
325.90277	3.8
328.16812	100.0
329.17618	13.7
335.79968	3.6
380.37009	3.3
533.32861	36.4
577.31659	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	577.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73759	0.4
55.63639	0.4
57.03452	0.4
57.05755	0.4
59.01375	4.9
71.01397	0.7
73.02947	0.5
76.83111	0.5
82.05347	0.5
83.01337	0.5
86.35252	0.5
89.02445	2.7
92.85373	0.5
101.02451	2.0
108.96430	0.5
109.02915	0.6
113.02468	0.7
119.03531	0.4
125.02430	6.5
137.02454	1.0
151.03999	0.5
161.02522	0.7
191.81975	0.5
197.56314	0.5
203.07135	0.5
235.08144	0.7
245.08156	1.0
253.09273	7.5
281.24878	100.0
287.05637	0.6
289.07184	2.8
401.46201	0.5
407.07928	2.2
425.08829	2.3
470.15283	0.6
517.33667	4.5
577.13672	2.3
577.42554	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	578.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95316	7.7
68.67457	8.5
71.76942	7.9
72.39674	9.3
78.41164	8.8
87.50301	9.5
94.66777	9.9
96.58848	9.5
100.67516	10.3
109.02962	10.3
118.71229	9.9
123.04460	11.0
124.37336	8.4
125.02445	100.0
126.02782	20.4
137.02451	14.7
149.02394	16.4
151.03992	48.5
152.04414	9.8
161.02492	34.0
162.02902	12.3
165.01823	11.7
179.03398	11.8
180.03625	11.5
226.43289	10.7
245.04570	22.6
245.08298	10.0
246.04858	20.9
251.40878	9.6
289.07141	23.0
290.07486	15.2
426.09308	11.7
458.43341	10.4
578.14038	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23702	15.3
60.91446	18.2
64.35366	19.8
68.48175	16.2
78.87642	16.7
78.98946	17.0
103.41840	18.7
123.04530	19.0
125.02445	100.0
137.02441	30.0
137.69798	19.6
161.02415	21.3
194.40498	18.0
289.07437	22.3
290.07684	32.5
349.94931	22.1
408.08005	83.9
426.09048	28.0
578.13977	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80536	0.5
54.37756	0.4
58.89268	0.6
61.98837	100.0
69.82813	0.4
80.85503	0.4
125.02464	0.8
128.71088	0.6
138.15732	0.5
279.23343	3.0
280.23618	4.2
281.24185	2.3
282.24466	0.7
287.05557	0.5
408.07767	0.6
591.47754	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	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
74.40427	0.5
78.95907	8.7
97.18493	0.4
151.83357	0.5
152.99565	2.5
162.68164	0.6
168.04286	2.9
177.85768	0.5
224.06969	8.9
242.08038	1.8
279.23306	100.0
306.56961	0.5
504.31003	71.9
541.16809	0.5
578.34387	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55968	0.3
53.19984	0.4
53.20278	0.3
54.04830	0.3
59.01381	7.5
78.95904	2.1
79.07723	0.4
125.05629	0.4
152.99594	1.7
168.04324	0.7
172.67816	0.4
185.74596	0.4
189.76590	0.4
211.40346	0.4
212.39282	0.3
224.06859	0.4
242.08015	2.5
261.22217	0.4
279.23309	100.0
392.13803	0.4
450.79370	0.4
504.31003	51.9
549.58374	0.4
553.47992	0.4
578.34595	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	579.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32792	0.9
54.33091	0.8
61.98840	2.3
65.00321	2.6
71.74050	1.0
77.49194	1.0
80.91596	1.2
82.39365	1.1
90.20218	1.3
101.02761	1.1
101.39889	1.0
125.02401	1.6
148.56453	1.1
158.15585	1.1
165.01949	18.8
170.76961	1.0
207.09547	1.2
219.30162	1.1
277.68613	1.1
279.23260	7.6
280.23746	9.1
388.05945	41.6
392.10791	1.2
403.08389	21.6
415.04727	11.0
503.07779	9.3
504.30960	1.3
505.31262	7.8
517.06036	1.7
531.07336	10.5
532.08142	8.3
533.08850	5.1
547.10205	21.5
564.07532	3.6
579.13055	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	579.1362
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.68899	0.6
55.74162	0.6
63.84980	0.6
70.23290	0.7
74.02470	0.9
88.71207	0.8
92.20103	1.5
95.69682	0.6
148.59224	0.6
151.00391	1.4
185.80052	0.6
186.29231	0.8
203.08192	1.6
213.05507	1.0
221.78596	0.6
227.03525	6.1
229.05048	5.4
239.03520	1.2
245.09253	5.1
255.03001	22.4
256.03702	3.4
257.04581	7.1
284.03268	79.1
285.04050	99.2
403.92722	0.7
539.74152	0.7
579.13599	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	579.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30666	2.5
57.03440	4.3
59.61350	2.3
67.59263	2.5
78.94790	3.0
79.40514	2.9
104.32887	2.9
109.02943	15.9
111.00882	3.6
123.04526	14.6
125.02443	100.0
126.02760	31.9
127.02876	7.1
137.02444	16.9
138.02762	4.3
140.14941	2.8
142.85603	3.9
151.04007	16.0
152.04376	3.5
161.02437	32.5
162.02829	6.0
165.01927	10.4
166.01663	2.7
167.03487	3.8
175.04016	4.3
187.04012	4.0
188.04590	4.4
203.07158	11.0
204.07397	5.7
205.05095	11.4
205.07701	4.7
206.05507	4.5
222.59074	3.2
238.79865	3.5
245.04364	4.5
245.08232	16.6
246.08458	6.6
247.08621	6.2
253.05101	4.1
255.02957	4.1
256.03528	5.8
283.05450	3.2
288.05954	3.4
289.07101	22.6
290.07465	21.9
291.07831	15.6
367.19427	3.5
408.07950	17.1
409.08334	37.9
425.08871	4.0
426.09155	17.6
427.09360	31.2
453.10822	16.0
455.66681	3.5
579.14325	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	579.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30666	2.5
57.03440	4.3
59.61350	2.3
67.59263	2.5
78.94790	3.0
79.40514	2.9
104.32887	2.9
109.02943	15.9
111.00882	3.6
123.04526	14.6
125.02443	100.0
126.02760	31.9
127.02876	7.1
137.02444	16.9
138.02762	4.3
140.14941	2.8
142.85603	3.9
151.04007	16.0
152.04376	3.5
161.02437	32.5
162.02829	6.0
165.01927	10.4
166.01663	2.7
167.03487	3.8
175.04016	4.3
187.04012	4.0
188.04590	4.4
203.07158	11.0
204.07397	5.7
205.05095	11.4
205.07701	4.7
206.05507	4.5
222.59074	3.2
238.79865	3.5
245.04364	4.5
245.08232	16.6
246.08458	6.6
247.08621	6.2
253.05101	4.1
255.02957	4.1
256.03528	5.8
283.05450	3.2
288.05954	3.4
289.07101	22.6
290.07465	21.9
291.07831	15.6
367.19427	3.5
408.07950	17.1
409.08334	37.9
425.08871	4.0
426.09155	17.6
427.09360	31.2
453.10822	16.0
455.66681	3.5
579.14325	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	579.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42345	1.1
77.92064	1.6
81.03458	1.7
89.96011	1.3
93.26594	1.3
93.75887	1.3
97.02947	6.1
109.02951	24.3
121.02943	1.7
123.04497	12.8
125.02459	20.0
135.04564	2.4
137.02406	10.6
139.04037	3.2
149.02437	6.3
151.04070	13.3
161.06094	7.3
164.01103	1.9
165.01892	6.3
175.03946	1.8
179.03552	9.4
187.03970	6.7
188.04744	2.3
202.06409	2.1
203.07155	21.6
205.05060	11.6
215.38290	1.5
221.08266	5.9
227.07158	1.9
245.08229	18.2
289.07199	100.0
371.34128	1.7
439.06738	1.4
449.35696	1.3
469.40701	1.3
596.92261	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	579.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23928	3.2
65.51054	3.3
92.19440	4.4
102.24092	3.9
109.02940	19.6
115.52897	3.5
123.87488	3.9
125.02445	79.5
126.02850	4.0
137.02460	52.6
149.02464	8.1
149.06100	4.3
151.04042	24.6
155.02107	3.6
161.06020	4.7
165.01938	8.7
167.03491	17.6
175.04007	4.4
179.03494	14.9
187.04033	4.7
188.04805	5.4
202.91008	4.1
203.07176	25.2
205.05084	20.7
217.88268	4.2
245.08264	37.1
266.35901	4.3
284.31418	3.7
289.07205	100.0
289.55005	4.0
290.07541	6.5
409.51416	3.7
427.10025	8.0
469.11414	8.0
579.15118	88.6
579.25745	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	579.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.4
64.59208	2.1
73.50457	2.3
83.01381	4.4
106.97277	2.5
109.02933	28.0
110.03245	2.5
116.47256	3.0
121.02962	2.6
123.04515	14.2
125.02444	90.7
126.02779	25.3
127.02930	10.8
131.15201	2.3
135.04518	2.6
137.02458	56.8
139.04013	4.4
149.02469	11.0
149.20734	3.2
151.04050	21.7
161.02458	18.8
161.06076	5.6
162.02820	3.8
163.04002	2.8
164.01143	3.9
165.01909	14.1
167.03455	9.5
173.06152	3.3
175.03989	5.0
177.05652	3.2
179.03508	17.1
181.05194	2.3
187.03993	10.1
188.04654	2.8
201.05566	2.8
203.03430	3.3
203.07141	28.1
205.05113	26.0
212.32457	2.2
221.08125	3.6
227.07155	4.6
245.08174	40.5
247.06033	2.8
256.03403	3.6
276.90680	2.5
289.07196	100.0
290.07599	11.2
291.07724	9.6
331.08365	3.6
408.08191	5.2
409.08368	15.5
416.03406	2.3
426.08859	2.9
427.09402	17.0
434.85175	2.5
451.10727	2.7
453.10867	5.8
469.11288	12.8
579.14886	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41079	0.9
55.55569	0.9
55.62387	1.0
58.02954	3.7
59.24356	1.0
62.83491	0.9
70.02993	7.2
74.02470	37.3
80.96405	1.0
96.75227	0.9
98.02470	5.9
108.11543	1.0
110.72087	1.0
116.03545	17.9
116.05050	7.2
142.06619	1.0
159.09212	4.2
169.02869	1.1
188.61333	1.0
201.10347	5.4
203.08284	67.8
212.43588	1.0
245.09306	100.0
277.28232	1.0
289.08206	1.7
393.82922	1.0
579.16779	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	579.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37326	1.5
59.01377	7.3
66.20978	1.4
71.01391	4.1
73.72381	1.4
101.02459	1.7
116.02460	1.8
121.02954	100.0
123.04543	2.8
162.12482	1.6
165.01746	1.7
167.07150	16.2
189.09335	1.5
207.10138	3.4
321.13452	7.7
357.26578	12.4
363.14468	21.9
391.18112	1.7
543.22333	67.1
579.28326	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	579.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87265	1.6
55.66680	1.7
59.01381	4.7
69.03445	3.3
71.01389	4.3
73.02939	1.9
85.02940	2.2
86.74413	1.6
96.95991	4.0
101.02466	4.2
101.75062	1.8
102.86451	2.0
103.00073	2.2
106.26219	1.8
113.02451	100.0
121.02963	7.9
125.02444	7.7
145.05067	32.2
165.01921	3.2
203.64056	1.8
433.20795	3.7
484.93271	2.0
579.20172	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	579.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25426	1.9
57.22251	2.1
59.01382	39.7
61.98838	5.6
71.01379	17.0
73.02945	2.8
74.31434	2.0
85.02972	2.2
86.03918	2.1
89.02457	4.7
92.30904	2.2
93.03471	3.0
96.95997	8.8
96.96955	3.0
101.02438	11.5
107.18557	2.1
113.02458	2.7
116.92827	16.6
121.02962	4.1
167.07129	10.9
181.08727	5.0
191.05550	2.5
197.83290	2.6
237.62856	2.6
284.03281	3.6
285.03900	3.3
331.19012	2.8
331.24896	2.9
357.26459	19.5
375.27466	26.3
389.25107	2.7
519.31750	100.0
579.19958	7.8
579.27075	4.0
579.34467	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	579.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86642	0.8
56.27289	1.0
59.01381	17.8
59.61403	1.0
59.76689	0.9
71.01369	2.2
72.43188	1.0
72.99310	1.3
73.02949	1.5
81.59785	1.1
85.02926	2.1
101.02407	1.3
123.04560	1.4
125.02431	1.3
136.01651	22.5
145.67430	1.1
151.03999	100.0
151.96317	1.0
161.04573	5.2
255.02956	2.1
284.03241	8.5
285.04001	6.9
296.10449	1.7
297.11301	5.1
313.17911	1.3
315.77277	1.2
342.11035	16.3
351.36975	1.1
357.13449	89.9
579.13037	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	579.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64015	0.3
52.70960	0.4
59.01384	1.9
70.86037	0.4
71.01385	0.8
71.67997	0.4
83.62822	0.3
85.02956	0.7
91.71659	0.4
92.20181	0.6
101.02445	2.6
113.02484	0.6
121.02953	100.0
125.02486	0.6
135.04507	0.8
149.82875	0.4
161.04538	0.4
296.50690	0.4
313.18146	0.7
402.52322	0.4
457.21060	2.0
516.26178	0.5
543.07037	0.4
579.24634	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	579.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52734	1.3
59.01387	12.3
61.46287	1.4
68.44035	1.6
71.01382	2.5
73.02941	9.6
79.05527	1.3
81.03452	5.9
82.76489	1.3
83.05023	7.9
85.02962	19.3
92.20132	1.6
97.02914	6.4
99.04520	25.0
103.04066	1.6
107.05009	3.4
109.02952	1.8
111.04504	7.2
113.02448	20.3
121.02948	100.0
121.06567	2.1
122.03679	1.5
123.04513	2.5
125.06091	10.8
137.06073	14.5
149.06065	13.5
149.09677	7.2
153.05577	1.6
155.07143	2.0
164.08382	2.2
165.05510	2.1
165.09221	17.2
167.07187	10.5
168.35733	1.7
178.06332	1.5
185.08173	2.3
192.07909	1.5
193.08751	9.8
207.10345	13.2
211.09894	1.9
233.69473	1.5
247.13585	1.3
316.78470	1.4
414.70749	1.7
519.22339	52.1
579.24561	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35160	3.3
50.46011	2.9
50.49720	3.0
59.01102	5.6
59.01380	100.0
65.48384	2.9
80.27438	3.8
80.50481	3.3
81.41663	3.7
102.60084	3.7
103.22244	3.7
105.61005	4.2
160.40297	3.8
220.15024	4.1
345.91956	4.2
482.91382	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	579.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71134	1.0
59.01386	100.0
60.51321	1.2
79.17808	1.2
112.93299	1.3
162.35677	1.2
170.01878	1.1
183.68373	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	579.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
83.45597	3.0
83.54852	3.2
252.23871	3.8
332.61258	3.9
355.47104	3.9
577.47314	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	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69064	2.2
57.84611	2.3
59.01381	2.5
63.53922	2.1
69.33507	2.0
71.01363	3.7
78.95900	4.9
78.98613	3.6
79.95734	3.8
80.96524	55.0
80.96977	4.3
83.02538	3.4
84.02045	5.2
85.20361	2.4
90.45372	2.3
94.98075	10.4
106.98019	2.6
122.97539	2.5
125.02431	4.7
134.97537	4.1
136.99112	2.6
148.99138	4.9
152.98563	4.1
152.99689	2.5
160.40242	2.5
164.98636	17.5
201.62025	2.8
203.53630	2.7
225.00800	22.5
255.23335	5.6
279.23322	3.5
299.04367	3.5
300.71475	2.3
375.25610	2.7
398.89319	3.0
579.28595	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	579.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22141	1.2
71.01379	5.4
71.16632	1.2
73.02959	1.6
78.98594	7.3
79.95737	6.1
79.96174	1.2
80.96516	51.4
85.02967	1.4
87.00887	1.6
94.98091	13.1
99.00838	1.1
101.02431	2.3
104.36038	1.0
106.98071	1.8
109.72230	1.1
122.97585	1.8
125.02463	2.1
127.03976	1.5
128.59615	1.1
134.97598	5.7
148.99182	9.0
152.98625	7.5
163.56911	1.2
164.98631	23.1
199.63420	1.2
203.22527	1.2
206.99712	4.9
225.00734	22.0
279.23367	1.9
299.04529	5.7
345.17188	4.5
477.62314	1.2
579.28595	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	39.9
71.01375	4.4
78.98595	2.9
79.95719	2.4
80.96522	44.1
85.02957	2.5
91.82669	1.9
92.19388	2.1
94.98066	10.3
97.02933	2.7
125.02423	2.3
128.13698	2.2
145.02937	13.0
148.99100	4.3
152.98598	9.5
153.98906	2.0
163.73099	2.3
164.98650	16.0
165.01898	20.2
189.41911	2.0
206.99768	3.4
225.00787	22.9
279.23145	4.6
286.36008	2.4
299.04428	4.6
328.16891	3.1
388.05859	39.1
400.02405	2.4
403.08167	20.3
415.04675	10.1
427.42960	2.3
447.45541	2.3
503.07718	9.2
531.07068	10.8
532.08063	10.2
533.08710	2.7
547.10455	22.4
565.12042	2.5
579.13220	89.4
579.28265	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	579.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88010	33.1
60.22920	38.7
67.68458	42.5
75.39191	39.6
76.55095	43.2
82.69518	52.6
132.66763	44.4
159.78883	45.0
162.57643	46.3
165.68454	40.9
176.36375	47.0
224.55197	41.0
253.21678	79.4
303.23203	58.5
309.22400	47.2
360.77090	48.0
429.78067	48.3
579.13141	97.4
579.43262	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	579.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.85894	1.0
75.61732	1.2
84.27189	1.0
86.83620	1.0
89.02452	2.4
94.33659	1.0
117.05544	1.3
121.40636	0.8
152.05722	1.1
234.14659	0.9
281.13055	1.0
538.56628	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	579.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.63856	0.7
67.97243	0.8
68.87953	0.8
89.80203	0.8
117.03614	0.9
150.29488	0.8
304.08099	0.8
342.39584	0.9
461.87833	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	579.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.37899	1.4
70.28870	1.2
75.51947	1.3
80.30821	1.4
83.08788	1.2
86.50002	1.4
143.32047	1.3
167.03828	1.3
185.66103	1.4
243.88548	1.3
284.79199	1.5
313.10696	1.5
579.13013	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	579.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90831	2.3
50.95591	2.3
59.01385	72.3
72.02159	4.4
73.02946	5.9
80.11346	2.9
85.02956	13.3
87.04512	15.4
109.02913	4.3
113.25840	2.7
121.02943	13.1
123.04523	4.7
125.02437	13.7
137.02422	4.0
151.04070	5.3
199.09740	4.5
236.55357	2.8
245.08141	3.4
273.14810	4.1
285.14920	5.7
289.07211	16.0
301.17990	18.0
319.19180	12.3
361.20401	3.8
501.28519	3.0
519.22980	4.9
519.29694	100.0
543.23700	3.9
579.15967	4.5
579.31854	64.6
580.77209	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	579.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.81839	4.5
70.68563	4.6
82.80008	4.6
87.00887	7.1
104.36926	5.0
121.02949	36.8
122.03323	8.9
155.42639	4.8
328.48065	6.5
345.73154	5.2
357.17285	7.9
519.29779	50.6
523.48547	5.7
579.31708	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51566	0.8
58.02979	9.1
59.01372	1.3
61.98829	4.2
70.02983	8.2
70.09608	0.9
80.36247	0.8
91.05542	8.5
92.20023	1.4
95.06177	1.0
123.04510	1.3
125.02443	1.4
137.02493	1.0
147.04515	19.9
159.09157	1.0
164.07172	79.2
167.03513	12.9
191.03757	1.3
191.05568	4.4
192.06281	1.0
206.08232	100.0
209.04546	1.4
213.46262	1.1
250.07179	1.9
272.24356	1.0
289.07043	1.9
290.07599	1.2
329.08725	8.1
463.64661	1.2
580.15448	1.3
580.23669	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	580.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76572	1.0
56.76867	1.3
57.14568	1.3
59.01399	1.2
61.98835	100.0
67.03812	1.3
69.00200	1.3
71.02187	1.4
95.42143	1.4
106.24799	1.4
118.85091	1.2
121.02962	1.5
125.02435	2.3
156.56207	1.6
167.00072	1.3
171.95866	1.3
177.82123	1.3
193.08682	2.1
194.09015	1.9
221.31876	1.5
239.62700	1.3
257.14212	1.4
329.54022	1.4
349.49869	1.4
388.44238	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	580.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46450	1.0
59.01385	46.0
72.99309	11.7
79.59756	1.2
92.71838	1.2
97.82559	1.4
101.03973	1.6
119.05016	4.4
190.08742	43.0
208.09795	100.0
250.10855	70.3
250.13480	1.7
353.29474	1.2
568.98627	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	580.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92591	1.6
56.12393	1.9
57.50838	1.6
59.01369	2.8
60.57872	1.5
63.78255	1.7
68.64881	1.6
78.95885	1.8
80.96507	7.7
107.75092	2.0
117.10271	1.7
150.88141	1.7
165.01820	2.4
225.00764	3.2
285.20343	1.9
305.24884	100.0
350.80380	2.2
389.06424	3.7
440.91562	2.3
530.32465	55.0
580.13531	22.8
580.28381	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10411	0.7
56.93283	0.6
61.98838	100.0
105.06586	0.8
281.24823	1.3
282.25012	5.4
283.25491	1.2
284.25763	1.2
290.96359	0.8
328.07465	0.8
495.86566	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	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15565	0.3
54.28424	0.3
56.96944	0.3
58.25949	0.3
59.01113	0.3
59.01385	7.2
68.70000	0.3
78.95901	1.9
91.65504	0.3
112.38824	0.4
121.41938	0.3
137.56282	0.4
152.99608	0.6
168.04321	0.3
224.06895	0.7
242.08025	1.7
281.24857	100.0
429.78363	0.4
506.32507	46.0
515.99567	0.4
530.32361	0.7
580.36627	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	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84902	0.5
56.93764	0.4
59.01384	10.3
73.86263	0.5
78.95889	6.6
133.45302	0.5
145.18347	0.5
152.99573	2.9
168.04300	3.1
206.87277	0.5
224.06854	7.7
242.08025	0.8
266.04526	0.7
281.24875	100.0
371.15558	0.6
506.32541	64.4
580.36841	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	581.1093
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
61.21396	0.6
74.94089	0.6
84.60091	0.6
84.60638	0.6
86.37150	0.5
88.84870	0.6
89.24947	0.6
100.45703	0.6
100.53819	0.5
128.83836	0.5
146.92398	0.7
173.06056	3.8
229.22231	0.6
324.51065	0.6
337.07095	3.3
346.04742	1.4
361.07233	10.3
363.05194	3.5
375.04999	3.3
377.06534	1.4
387.04700	0.6
390.03769	12.5
403.04675	3.5
404.05292	4.7
405.06186	100.0
418.87213	0.7
429.06055	1.0
431.04028	6.1
439.66885	0.7
581.10944	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65179	0.8
59.22334	0.7
59.93498	0.8
93.71039	0.8
99.96335	0.9
102.50440	0.8
117.82912	0.8
133.02972	1.3
170.72725	0.9
174.03194	3.4
181.37964	1.0
185.19736	1.2
188.07182	0.9
189.05612	1.3
191.96420	0.9
244.87256	1.0
260.93729	0.9
321.07632	1.5
330.05298	1.6
345.07703	16.5
347.05533	2.1
371.05792	1.8
374.04248	11.6
388.05899	1.3
389.06702	94.5
400.02341	1.0
404.05511	10.7
415.04614	13.6
419.07834	3.5
430.06772	1.2
431.04047	1.2
446.06406	1.7
549.08240	2.2
581.10968	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	581.1094
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
50.47567	0.6
50.97281	0.5
52.81215	0.6
60.96412	0.6
74.16273	0.6
105.27824	0.7
133.02934	4.0
257.62717	0.6
374.04318	4.9
375.04846	1.3
388.05811	3.0
389.06647	16.0
401.02875	1.1
413.06686	1.4
415.04666	2.6
422.16910	0.9
430.06735	0.9
506.06717	1.6
534.05981	9.5
535.06592	10.9
549.08368	16.1
552.04248	0.7
581.10962	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	581.1091
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
59.01384	7.2
59.87544	0.9
60.50308	0.9
61.98839	1.2
64.66552	0.9
66.83934	1.0
83.01412	1.0
92.20036	1.3
95.90601	1.0
99.83830	0.9
103.02902	1.1
107.07780	0.9
109.02927	1.3
116.92870	1.4
117.03471	1.4
122.03728	1.7
125.02385	1.5
126.38131	1.2
136.12317	1.3
137.02460	4.8
149.02446	2.1
151.00385	1.7
151.03998	1.5
163.00346	1.4
165.01984	1.8
194.18199	1.1
203.07176	0.9
205.05032	2.2
215.07185	1.2
328.18408	1.0
346.04745	1.1
361.07272	1.8
361.16959	1.3
374.04446	7.9
375.05115	1.8
389.06766	13.1
389.15869	2.4
390.03925	10.9
401.02670	1.5
402.51395	1.1
403.77750	1.2
404.05402	8.1
405.06198	19.8
419.07669	2.2
431.04190	1.6
446.06595	1.3
506.06558	5.9
523.06165	1.2
533.06018	1.3
534.05890	18.6
535.06647	9.7
549.08136	19.3
581.10950	100.0
581.27222	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1094
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
56.98058	0.8
59.01381	13.4
64.46544	0.8
65.36852	0.8
71.01402	1.1
88.98795	1.7
89.02422	1.9
116.92879	1.3
117.03429	1.4
121.02899	1.0
137.75748	0.9
367.06104	2.2
381.07596	1.2
389.02982	1.5
390.03763	22.1
393.08099	1.0
394.08084	1.0
404.05649	7.2
405.06247	7.6
417.02402	4.5
431.03976	4.8
449.06238	2.0
450.07352	1.6
487.06894	1.1
533.04974	1.9
534.05823	15.8
535.06445	7.3
549.08325	20.2
551.06665	1.2
566.05469	1.2
581.10913	100.0
581.33777	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	581.1307
Annotation	Perfoliatumin B
Peak:m/z	Relative Intensity
51.77451	1.4
54.74841	2.2
59.01374	8.2
96.95979	2.0
116.92841	6.4
121.02931	3.4
123.04533	2.3
125.02465	3.9
138.03436	1.8
164.01091	2.9
193.49051	1.6
243.02998	45.9
257.04556	16.6
259.37271	1.7
271.02487	43.9
285.04062	47.6
286.04843	7.5
299.02112	12.6
300.02707	6.9
314.04333	56.5
315.05069	7.1
419.15045	2.6
422.32053	2.1
529.13910	2.0
581.13019	100.0
581.21179	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	581.1463
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
50.27952	0.5
55.14688	0.6
65.00316	2.9
73.35063	0.5
73.57661	0.7
80.75383	0.6
97.02962	1.0
101.22921	0.7
121.02988	0.8
122.00113	0.7
124.01678	1.1
136.01631	0.8
139.03996	3.3
149.99562	1.1
164.01140	0.7
165.01920	11.0
190.96402	0.6
191.03456	1.3
224.04797	4.6
225.05511	1.4
239.07124	13.7
251.03554	5.5
265.05173	0.8
304.75800	0.8
367.06042	2.9
368.06830	3.3
369.07605	9.5
372.06210	0.9
373.07477	0.9
375.05066	1.2
383.09259	8.7
387.08737	1.0
389.06570	2.5
390.07294	4.4
395.06757	0.8
401.10110	1.0
405.09512	4.6
407.09338	0.7
409.07309	0.9
415.12042	3.1
425.10281	1.0
451.08459	1.6
474.67932	0.7
505.09528	0.8
519.07129	1.3
533.08606	2.6
535.10284	1.6
549.11853	11.3
575.90063	0.8
581.14569	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	581.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64242	2.2
55.75740	1.9
59.01102	4.5
59.01389	100.0
68.00867	2.1
71.01384	14.5
71.66521	1.8
73.02934	10.9
83.01426	2.7
85.02936	3.5
89.02446	10.2
93.98640	2.5
96.95996	4.2
101.02454	14.2
113.02467	4.2
121.02983	16.0
123.04491	10.6
138.65411	2.1
149.14134	2.3
165.05614	3.3
167.07161	3.3
198.04527	2.5
211.93797	2.7
285.20593	2.9
389.08417	2.3
441.44107	2.5
461.25238	3.0
521.27820	19.0
537.26801	4.3
581.21460	22.1
581.31598	31.2
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
50.99082	0.6
54.31372	0.6
59.01387	5.1
60.99310	12.7
88.98804	100.0
92.19995	0.8
92.29876	0.7
121.02937	4.3
140.97217	0.8
150.03221	1.7
153.05682	1.3
163.04074	0.7
165.05534	3.0
195.06679	0.9
216.41042	0.8
217.63875	0.8
243.02957	0.8
287.32803	0.9
311.16281	2.3
329.17435	1.7
341.07007	1.1
491.22983	3.8
521.33588	1.0
524.95068	0.7
581.22009	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	581.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.16650	1.0
71.01375	1.4
71.55081	1.3
99.92606	1.2
101.02419	1.9
116.92860	31.6
121.09031	1.0
133.01421	1.9
150.03209	1.7
151.00354	1.2
165.05589	2.4
255.02980	4.6
256.03345	2.6
257.03757	1.9
269.08151	2.4
284.03311	9.8
285.03952	20.7
286.04160	17.8
287.04630	9.8
299.09189	5.3
311.09216	8.9
314.11639	32.2
325.10480	1.1
326.11603	23.6
329.13980	82.0
341.07339	1.2
341.13977	39.8
359.15051	7.1
370.59192	1.2
521.26276	1.5
537.27124	1.4
581.14215	32.0
581.22485	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66854	0.8
59.01387	46.2
59.01684	1.6
61.98831	3.5
62.55191	0.8
67.93597	0.7
72.99300	1.0
76.45194	0.8
80.33331	0.7
87.48206	0.7
87.56299	0.9
90.43248	0.8
93.35292	0.8
100.76299	0.9
110.49046	0.8
121.02957	100.0
133.05051	1.4
136.58136	0.8
166.06366	8.4
181.08725	6.1
185.51091	0.8
219.55061	0.8
271.30374	0.8
402.46030	0.9
521.20239	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	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37164	2.9
53.67793	3.3
59.01106	4.7
59.01385	100.0
60.54434	3.2
61.98837	4.5
65.02209	3.7
68.78132	3.5
71.01376	46.4
85.02932	4.6
87.00840	13.6
89.02442	70.0
101.02446	23.7
113.02427	22.1
119.03484	21.5
121.74068	3.3
161.04509	6.3
175.11037	3.5
179.05647	46.8
262.22232	4.4
298.12180	4.5
311.09268	80.9
326.11603	85.4
341.13907	63.9
359.15036	16.5
498.46378	3.5
521.20264	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	581.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55373	1.5
54.62010	1.3
58.28704	1.4
59.01386	100.0
59.01686	3.5
60.50639	1.4
94.82861	1.4
103.39747	1.4
118.29644	1.4
208.07072	1.4
397.90579	1.5
571.11902	1.5
583.25446	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	581.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72354	0.7
56.65451	1.0
59.01376	2.3
61.59060	0.9
71.01360	1.2
78.26192	1.1
84.03388	0.8
121.02953	100.0
129.92999	1.0
133.04518	1.0
225.48732	1.0
327.67215	1.0
459.22333	1.8
581.18073	1.7
581.26434	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	581.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86935	3.9
59.01386	46.9
71.01373	5.2
82.18770	4.0
102.89619	4.9
103.56032	4.0
110.41519	4.8
121.02952	100.0
127.54784	5.1
137.02498	6.6
141.76045	5.5
188.43942	4.8
217.82759	5.4
235.60464	5.0
289.07202	6.3
384.34698	5.2
581.27612	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	581.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31462	1.0
56.74388	0.9
58.50996	1.0
59.01387	100.0
67.28973	1.0
70.36903	1.0
73.02949	2.3
81.97939	1.0
87.85636	1.0
117.05611	11.3
119.33530	1.0
271.22437	1.1
320.24106	1.1
429.42233	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	581.2975
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
50.22035	0.5
50.97035	0.4
52.74495	0.5
53.71988	0.6
54.29184	0.6
59.01385	100.0
61.98827	0.8
62.27943	0.5
64.99384	0.6
71.01383	11.6
73.02947	4.0
79.37969	0.5
80.12602	0.5
83.01399	1.1
83.39185	0.5
84.49509	0.6
84.50035	0.6
85.02948	6.1
89.02460	1.2
95.01377	0.9
99.00887	1.3
101.02431	9.3
108.70565	0.7
112.67315	0.6
113.02422	7.2
157.65858	0.6
159.02965	1.2
161.04546	6.8
419.26486	1.1
521.27576	21.2
581.29877	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	581.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.04654	1.1
71.10238	1.0
88.25626	1.1
93.43095	1.1
117.05596	2.3
118.30495	1.1
158.88956	1.4
165.20497	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	581.2975
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
52.86967	0.5
53.74849	0.5
53.86832	0.4
59.01384	100.0
62.50954	0.4
66.82736	0.5
71.01382	6.6
73.02941	6.8
83.01388	1.3
85.02963	2.1
89.02445	3.2
95.01331	0.6
98.85616	0.5
101.02443	8.9
113.02477	3.9
116.92844	0.8
119.03508	1.3
125.02425	1.0
148.47189	0.6
149.04576	0.9
161.04570	3.3
179.05644	1.2
221.06656	1.1
237.60728	0.6
257.77625	0.5
301.03531	7.5
317.21393	0.7
465.51578	0.6
479.26709	1.0
521.27228	16.9
537.26917	3.4
581.29150	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	581.2974
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
59.01386	100.0
66.70911	0.7
71.01376	4.3
72.78497	0.6
73.02926	0.9
82.95390	1.3
83.02518	3.9
85.02949	2.6
88.42215	0.7
101.02441	2.7
113.02451	1.1
115.94921	0.5
139.93896	0.6
151.00284	0.5
221.06468	0.6
282.28043	0.6
317.21167	3.4
358.22147	0.6
461.25558	1.0
479.26297	2.7
503.19003	0.9
521.20624	0.8
521.27588	17.0
581.14923	0.8
581.29639	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	581.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.1
59.01381	28.2
60.85228	1.0
64.96551	1.0
70.83026	0.9
71.01382	24.1
73.02937	11.4
83.01366	4.8
85.02938	11.0
87.00880	14.0
88.43181	1.0
89.02444	9.8
99.00871	5.3
101.02440	28.5
113.02431	9.9
115.04028	1.4
121.02924	6.5
125.02402	2.6
143.03458	1.2
159.03024	1.7
161.04509	5.1
169.01601	1.0
197.12694	1.3
204.38890	1.1
227.20187	1.4
242.01430	1.1
419.14999	1.3
521.29663	1.6
538.57611	1.2
543.22278	1.6
563.30463	1.4
581.20630	4.7
581.31836	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	581.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28191	0.4
57.03313	0.6
59.01384	100.0
66.51791	0.6
86.42426	0.6
89.11948	0.6
98.71114	0.6
101.75893	0.7
108.31216	0.6
112.46349	0.5
132.13005	0.6
134.61690	0.6
140.86955	0.7
155.26639	0.6
164.35014	0.6
185.51274	0.6
244.56190	0.7
334.54883	0.7
375.80505	0.7
461.29102	6.9
521.31274	14.9
581.33307	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	581.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63053	0.8
51.79184	0.7
55.70803	0.7
57.17100	0.7
59.01386	100.0
63.16603	0.7
64.84246	0.8
70.53065	0.8
71.01398	0.9
75.00877	1.7
88.98805	2.2
96.95962	1.1
105.21004	0.9
107.47847	0.9
116.92802	1.3
134.67334	0.9
137.02440	0.9
161.38956	1.0
354.09055	1.1
402.28604	0.9
521.31201	4.9
581.33862	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	581.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94828	1.2
53.03356	1.3
56.60104	1.4
59.01377	16.9
59.02250	1.3
60.99313	13.4
88.00397	3.0
88.01235	1.6
88.98804	100.0
89.02438	24.3
107.61401	1.3
121.02915	2.1
125.02416	1.9
134.12537	1.3
151.03996	1.6
521.27344	1.6
581.23090	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	581.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.0
72.99311	11.3
78.50300	10.1
90.37128	8.5
91.06049	10.0
92.41927	9.9
113.57232	10.2
123.04495	12.6
125.02449	15.4
164.01192	18.4
502.36716	14.3
521.31287	46.8
555.18457	12.3
581.33337	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	581.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56065	1.0
59.01380	9.7
71.01386	2.4
73.02943	5.1
85.02960	9.3
87.04523	4.5
93.65986	1.0
99.04501	2.2
116.99413	1.0
121.02950	20.1
123.08168	2.6
125.06062	2.0
165.84265	1.1
231.13829	1.4
249.14815	1.6
250.12056	1.6
253.15874	1.7
273.14853	5.8
301.18256	7.8
319.19177	7.0
343.19058	5.4
353.21396	1.7
359.15024	7.4
361.20190	9.1
371.22192	1.5
389.23395	5.4
391.21194	1.5
521.24518	5.3
521.31213	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	581.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23948	1.0
51.22701	1.0
52.11250	0.9
55.44916	1.0
55.45185	1.1
55.65526	0.9
59.01102	2.1
59.01383	50.6
67.72658	0.9
71.01382	25.6
73.02950	7.6
83.01374	4.4
85.02937	9.0
87.00922	1.2
89.02444	25.3
89.02991	1.8
91.02718	1.1
95.01409	1.7
99.00916	1.8
101.02449	22.4
113.02428	13.0
116.92867	1.6
119.03473	6.8
121.02924	1.1
125.02431	2.7
161.04474	1.4
167.07205	1.6
214.53236	1.2
223.05923	1.3
233.22849	1.3
295.90387	1.1
359.27933	4.7
372.90530	1.1
496.20392	1.5
521.33319	100.0
581.30096	5.3
581.86426	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	581.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78664	1.4
56.96402	1.7
57.03436	1.8
59.01385	40.2
63.93943	1.4
71.01383	17.9
73.02934	13.3
83.01399	3.4
85.02965	15.7
89.02433	3.7
94.95065	1.5
98.98606	1.6
99.00874	2.7
101.02441	24.7
106.83524	1.7
106.88831	1.5
113.02419	14.2
161.04520	2.5
251.28828	1.7
301.03537	3.5
359.27762	1.7
365.78488	1.6
380.57434	1.7
521.33136	100.0
581.21387	2.8
581.35718	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	581.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11191	0.6
69.55006	0.7
78.93177	0.7
79.93527	0.6
89.47616	0.6
92.20142	0.8
96.52639	0.7
103.27056	0.8
141.12866	0.9
149.45959	0.7
155.10756	7.9
171.10315	8.8
186.51802	0.7
249.18533	0.7
267.19638	31.9
277.21619	1.0
285.20721	23.1
295.22794	14.5
300.55338	0.7
301.89636	0.7
311.22247	3.2
313.23865	100.0
362.45776	0.9
388.86273	0.8
581.44305	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31389	1.1
59.01387	7.2
59.39065	1.5
67.84872	1.3
70.35490	1.4
76.63663	1.6
78.39612	1.4
78.95916	7.6
106.27383	1.4
110.22038	1.5
115.20654	1.5
142.43526	1.8
224.06944	8.2
275.11963	1.8
283.26434	100.0
391.13608	1.7
399.58850	2.4
508.34116	46.1
526.72192	1.6
584.05371	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	583.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88332	1.3
59.01375	12.2
71.01376	9.5
73.02924	2.3
87.00851	1.4
100.39207	1.3
112.98568	1.5
115.00359	13.4
119.05016	34.9
125.02431	1.9
133.01436	43.8
163.04013	100.0
181.08676	1.3
279.05035	16.2
310.54019	1.8
361.16187	1.7
539.28149	3.0
583.17047	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	583.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45913	0.7
55.05041	0.6
56.02920	0.6
66.04115	0.7
87.34799	0.7
103.87432	0.9
118.45112	0.7
150.64296	0.8
151.04010	10.8
162.03281	1.1
165.01918	4.6
175.03967	5.1
177.05585	7.3
210.73160	0.8
230.83966	0.8
241.52963	0.7
320.06735	3.2
322.04919	7.5
329.04849	1.0
337.06900	0.9
345.03934	1.4
346.04721	1.6
361.07364	0.9
371.05728	1.6
374.04446	1.6
388.05902	30.7
389.06702	6.1
398.29092	0.8
400.02386	1.2
403.08420	3.3
415.04657	20.6
416.05530	7.9
417.06213	30.5
431.07898	7.0
448.04303	5.0
463.08524	0.9
491.07928	1.6
523.09998	1.2
551.09918	4.2
583.12531	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	583.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74765	1.7
59.01365	3.2
62.05794	1.9
63.39165	1.7
63.93798	1.5
91.90583	1.7
92.19363	3.7
108.05253	1.7
121.02931	2.9
124.01634	9.5
125.16846	2.0
139.03989	11.0
154.78642	2.0
164.44577	1.8
165.01944	2.2
266.02173	18.2
267.03125	2.7
281.04443	17.6
291.03088	6.4
293.00922	17.3
307.02615	2.8
323.05484	4.5
343.05914	2.3
367.05963	4.0
411.05106	100.0
443.07697	96.9
455.04196	2.5
583.12451	32.7
583.28882	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	583.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00777	0.8
59.01394	18.5
60.36281	1.0
67.76643	1.0
70.67897	0.9
71.01363	8.3
73.02934	1.5
87.00876	82.0
89.02431	6.7
89.65234	1.1
101.02425	8.2
101.77439	1.2
103.00369	1.5
113.02431	1.8
125.02385	1.9
155.15677	1.1
188.04764	9.3
201.05563	2.3
208.29276	1.2
243.10204	2.5
261.11264	1.1
269.12152	1.6
271.09723	1.4
280.79236	1.4
289.10556	2.1
409.14929	1.8
422.76871	1.1
422.93274	1.1
423.16608	30.0
449.18198	5.4
451.16220	17.3
468.76563	1.3
477.17615	1.2
539.29315	1.4
583.16669	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	583.1831
Annotation	Sachaliside 2
Peak:m/z	Relative Intensity
51.69157	2.5
57.55954	3.4
59.01405	4.7
67.10357	2.9
67.74504	2.6
73.02977	3.2
78.52483	2.7
83.01392	11.8
93.03463	6.1
97.02947	5.2
109.02966	23.0
119.05036	3.5
121.02971	4.6
122.03722	12.8
123.04510	17.7
125.02458	26.8
137.02437	27.2
145.08730	13.2
147.08205	6.1
149.02420	7.1
151.04044	27.6
161.02419	15.2
161.06056	13.1
162.03255	4.5
163.03996	4.5
165.01971	30.7
165.05595	6.2
171.08160	5.6
173.06024	4.6
175.03981	6.4
177.01898	4.5
177.05559	3.8
179.03503	4.2
187.04039	4.8
191.03510	4.8
203.07123	24.9
205.05084	31.6
215.07196	6.8
229.05101	5.4
231.02808	3.5
245.08145	5.3
247.06119	5.8
257.08325	4.1
259.13828	3.3
269.08316	3.2
271.09760	4.9
289.07300	23.6
353.13525	3.5
361.16449	4.2
377.13904	7.2
421.13092	52.3
431.13309	3.2
523.22028	13.5
523.32892	19.0
528.02875	3.5
583.18353	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	583.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85891	1.1
59.01386	14.8
63.58760	1.2
65.21508	1.0
70.69304	1.1
71.01382	6.6
79.34677	1.0
79.50471	1.1
85.06595	1.2
89.02450	15.1
101.02460	9.6
106.37759	1.1
108.43789	1.2
113.02441	5.1
113.06069	2.3
119.03506	5.5
127.07607	1.2
131.07140	45.1
132.68613	1.2
135.22096	1.3
173.08083	1.5
220.31082	1.4
230.21451	1.1
289.07251	2.9
293.12457	100.0
297.54254	1.2
429.75272	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	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	24.4
60.37188	2.3
66.50005	2.0
71.01384	3.2
76.41726	2.7
81.78140	2.2
85.96033	2.3
94.40515	2.2
97.02951	3.1
109.02939	13.1
111.04509	17.4
111.05184	2.2
119.14024	2.2
121.02954	100.0
121.06622	3.0
125.02402	3.6
138.03242	9.8
139.04012	34.0
147.04620	2.6
151.04008	3.3
151.07658	3.7
163.07652	11.6
164.01141	12.6
167.03546	2.8
173.09738	4.8
175.07697	3.2
177.01917	5.5
178.80225	2.4
179.03514	32.3
181.08705	2.2
189.09233	4.6
209.83611	2.5
223.09702	8.9
227.10657	3.3
241.08707	4.7
264.44962	2.4
268.52887	2.3
283.13538	2.9
311.12891	8.7
319.08359	25.7
341.14136	2.8
359.15024	2.6
371.14935	2.5
373.16614	4.4
385.07010	4.3
401.16003	16.2
428.12619	3.2
443.14685	4.3
461.18329	30.4
481.18802	19.2
523.19916	33.9
583.19971	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70492	0.9
59.01383	29.3
61.98829	15.1
63.66408	0.9
74.18317	1.0
75.00866	1.4
92.43193	1.0
96.67654	1.0
104.14646	0.9
121.02950	100.0
198.22855	1.1
202.89653	1.0
208.03717	1.5
239.41545	0.9
249.75865	1.2
262.28290	1.1
341.13998	4.2
431.17108	2.5
523.29083	1.6
583.12842	1.7
583.21930	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	583.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25750	1.8
53.89258	1.7
59.01384	36.1
60.33665	1.8
60.44298	1.8
60.99313	4.8
61.59367	2.2
64.53259	1.9
85.02953	2.2
87.00883	8.9
88.00396	9.8
88.98804	66.1
89.02445	100.0
99.04526	11.9
125.02460	3.5
151.03943	3.2
156.80621	2.5
203.07254	2.8
214.73039	2.4
245.08218	2.4
273.66266	2.3
307.91943	2.3
333.18924	2.5
394.05084	2.5
421.16397	12.4
495.42889	2.5
495.51010	2.4
523.29132	9.2
583.20782	11.1
583.32166	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	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.3
60.40850	2.4
66.60696	2.5
67.50415	2.2
71.01391	14.2
73.02965	3.0
79.57609	3.1
83.01389	3.6
85.02965	4.7
89.02448	5.9
99.87836	3.0
101.02431	12.4
102.10592	3.4
109.02938	10.9
113.02466	4.3
121.02908	5.2
122.03750	10.5
123.04528	5.7
125.02410	7.0
137.02435	6.3
151.04028	4.5
161.02318	4.0
161.06122	3.9
162.03313	2.7
165.01923	10.4
165.05518	23.1
179.07172	4.0
191.03351	3.6
197.08174	4.1
203.07191	6.4
205.05072	14.9
241.53831	2.9
245.08273	3.2
255.06673	4.2
289.07181	4.7
346.14246	11.9
361.16541	50.9
377.13849	4.0
421.12976	19.6
523.21857	100.0
530.37250	3.1
538.34772	3.4
583.17664	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17413	3.9
56.07497	3.4
59.01389	20.7
71.01388	10.2
73.02978	4.5
85.02939	6.3
89.02452	8.7
101.02441	6.7
109.02942	18.0
119.05005	5.1
121.02905	7.7
123.04514	15.0
125.02428	43.9
137.02449	15.4
139.04044	4.3
151.04004	21.2
161.02448	16.3
161.06151	7.4
164.01161	5.7
165.01859	8.5
165.05563	16.8
173.37419	4.5
179.03532	7.1
181.08649	4.9
188.18871	4.0
188.70741	4.7
191.03560	5.2
203.07097	18.1
205.05035	8.3
247.17729	4.7
254.39905	4.0
289.07117	6.9
346.14166	6.2
360.27509	4.6
361.16568	63.3
421.12927	6.1
523.21802	96.1
523.32587	30.1
583.18146	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	583.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42514	0.8
59.01386	100.0
71.01385	11.1
73.02943	7.5
83.01347	1.6
85.02933	2.2
88.98803	1.6
89.02444	4.9
95.01414	1.2
101.02428	13.9
103.57342	1.0
113.02441	8.2
119.03457	1.7
124.12013	1.1
139.74162	1.1
143.03519	1.5
161.04564	4.0
165.05568	1.4
219.79213	1.0
235.22845	1.2
291.19611	1.1
335.22229	2.5
431.26547	2.1
456.97821	1.3
479.26569	11.7
494.98730	1.1
497.27737	8.0
523.29004	7.0
539.28625	32.6
583.31158	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	583.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16108	0.9
59.01384	100.0
69.75364	0.9
71.01373	7.7
73.02942	2.5
85.02934	2.5
89.02431	1.1
101.02447	8.3
113.02437	6.8
148.42360	1.0
161.04530	2.2
179.05565	1.2
243.93007	1.1
305.91544	1.1
330.01059	1.1
463.27087	6.6
481.28079	8.3
523.29144	37.9
583.31659	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	583.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
66.77653	1.0
71.01372	9.7
75.00877	29.9
88.98820	1.6
89.02447	24.1
95.17174	1.2
101.02456	6.2
112.30459	1.2
113.02441	3.0
116.92857	6.0
119.03505	2.8
121.02973	1.3
122.03331	1.3
123.04491	1.5
125.02454	1.7
151.04132	1.5
161.04529	1.7
165.45045	1.1
179.05588	7.3
287.09402	1.4
317.10532	1.3
523.29779	6.4
583.31561	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	583.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
60.99312	10.5
61.98840	1.1
83.05022	4.2
85.02935	2.1
87.00864	3.6
88.00404	4.8
88.98805	100.0
89.02447	31.1
101.02477	0.9
109.02897	1.4
111.08150	5.2
122.03757	1.5
123.04491	1.6
125.02403	1.9
141.09204	2.1
158.86531	0.9
159.10258	1.0
161.02428	1.5
161.06128	0.9
165.01929	2.0
167.10739	1.3
203.07153	1.2
203.12872	10.9
205.05008	1.8
209.04112	1.0
267.31720	1.0
289.07272	1.7
319.19202	1.2
421.12970	6.8
451.14413	1.5
498.37076	1.2
505.31555	2.2
523.32721	26.5
583.18390	9.7
583.34521	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	583.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
60.62691	1.7
68.83902	1.5
75.36730	1.4
82.34592	1.4
117.03868	1.5
117.34435	1.6
126.27871	1.8
128.86188	1.7
133.15726	1.8
138.67160	1.6
155.10791	6.3
168.40926	1.7
171.10283	3.9
257.94562	1.7
269.21228	26.2
287.22299	18.3
295.22891	16.0
311.22357	2.4
313.23849	96.8
487.50186	1.8
583.45892	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	584.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25359	0.4
55.97841	0.4
59.01389	3.0
60.42068	0.3
61.98838	100.0
71.01385	0.5
73.02976	0.4
73.74284	0.4
73.99335	0.4
74.94471	0.3
89.02455	0.6
101.02472	0.5
102.37653	0.4
113.02486	0.5
127.83221	0.4
130.81396	0.4
146.56529	0.4
162.14835	0.5
194.51357	0.4
198.90218	0.4
280.19107	0.4
497.28659	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	584.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54915	0.4
72.99304	36.1
73.91984	0.5
79.89342	0.5
92.20237	0.5
116.63648	0.5
119.05019	2.1
162.09241	3.0
190.08743	19.3
208.09798	100.0
229.90425	0.5
235.02226	0.5
241.53687	0.5
279.47629	0.5
320.27472	0.6
413.54227	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	584.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98836	100.0
63.87895	0.3
71.01385	1.6
72.99322	0.3
73.26965	0.3
88.98811	0.8
91.85722	0.4
92.19440	0.6
101.02423	0.4
113.02470	0.4
116.92876	0.4
153.05626	0.8
208.09781	0.6
217.28297	0.3
392.56641	0.4
524.34338	0.7
540.29352	0.7
579.56873	0.4
584.26099	1.1
584.34399	0.6
614.55487	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	585.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33208	1.5
55.37228	1.7
66.46549	1.7
71.01392	2.9
73.63434	1.6
115.00357	23.0
116.18392	1.7
121.02938	19.6
125.02418	4.1
133.01422	100.0
135.04515	16.9
137.49025	1.9
179.03490	34.8
275.73624	2.1
295.04611	8.4
295.08163	3.2
296.75833	2.3
361.00330	1.9
365.91641	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	585.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80935	10.0
74.54451	12.6
93.03468	18.2
109.02940	18.9
115.57854	12.1
121.02946	59.4
134.03714	11.9
137.02440	15.7
151.04012	15.0
163.00365	27.4
164.01065	14.4
165.21432	14.0
169.60503	13.0
172.65953	13.4
179.03476	21.7
255.02893	18.4
256.03772	19.3
267.06656	12.9
271.06131	19.8
280.92606	11.4
283.02444	27.7
284.03308	84.3
285.04086	28.8
299.05630	97.8
301.07321	14.5
329.06433	13.1
336.47232	14.0
391.08118	23.2
419.07843	19.3
451.10263	51.6
553.11584	100.0
567.17700	13.2
585.14569	25.2
594.36621	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	585.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44849	1.5
59.01387	10.2
59.12526	1.7
66.10126	1.5
86.32294	1.7
98.00100	2.2
105.60497	1.9
109.02947	8.8
111.04501	13.7
117.30332	1.7
121.02959	3.4
123.04516	2.4
125.02452	12.9
126.43695	1.9
139.04018	36.5
151.03958	2.6
161.79933	1.8
162.06876	84.6
164.01180	3.7
166.64719	1.7
167.03494	3.9
175.07664	3.7
176.04778	2.2
177.09229	10.6
178.02679	1.8
179.03514	21.3
191.06998	2.6
221.08167	8.0
221.39839	1.8
235.06152	3.3
238.93597	1.8
265.07199	100.0
298.14651	1.7
299.09317	2.3
319.08252	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57162	2.1
59.01382	5.5
60.37430	2.0
61.28119	2.3
61.79621	2.0
67.70558	2.1
71.01387	3.9
73.73147	2.1
89.02459	13.5
89.71918	2.4
94.57803	2.4
101.02446	4.1
111.04501	2.9
114.57513	2.5
117.05586	41.8
119.03497	4.5
125.02448	85.5
128.90654	2.4
137.02455	21.9
139.04018	14.4
150.46100	2.7
162.52127	2.3
165.01912	21.3
167.03535	20.7
177.05533	2.6
179.03499	20.7
204.04260	3.1
219.06653	12.2
221.04564	3.9
279.10861	94.5
305.06705	100.0
349.64731	2.6
381.63910	2.8
573.79419	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	585.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09843	1.1
59.01382	1.6
60.99311	16.6
65.85773	1.1
74.78613	1.3
80.65571	1.2
88.98807	100.0
103.42371	1.3
122.84222	1.2
125.02419	2.6
130.68272	1.5
150.03235	1.5
153.07956	1.3
161.06078	3.0
327.12469	2.0
344.48224	1.5
403.45203	1.4
495.18661	2.5
519.79010	1.5
585.19403	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	585.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
86.93512	1.8
87.00864	2.5
87.67308	1.8
88.98802	3.0
94.75938	1.8
96.96017	20.2
96.96963	7.4
97.02946	3.4
109.02934	11.4
123.04519	8.4
125.02422	17.4
137.02428	7.4
148.21614	1.9
149.61502	2.0
151.04016	10.1
161.02403	2.4
161.06081	3.2
163.04007	2.2
165.01860	4.3
165.05612	3.3
167.03497	2.9
179.03436	15.0
188.04875	3.1
190.69966	2.6
203.07104	15.6
205.05077	21.8
245.08177	35.3
247.05788	2.1
271.09982	6.4
289.07211	100.0
289.10406	3.5
295.09814	2.0
295.32968	1.9
329.10324	8.2
423.14621	31.0
451.12567	24.2
525.34424	2.4
585.20038	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	585.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39230	1.0
59.01382	6.8
61.98836	7.0
64.84252	1.2
70.25661	1.1
71.01346	1.3
72.99298	6.0
88.98809	9.8
93.03456	1.5
96.91828	1.3
97.02949	2.2
107.68606	1.3
109.02976	14.1
111.08163	2.0
121.02963	1.3
123.04508	11.1
123.19062	1.4
125.02429	12.2
137.02487	10.0
139.04045	1.4
149.02444	5.5
151.04002	8.3
161.02452	2.8
161.06085	6.4
161.74841	1.6
162.03233	1.9
163.03912	1.4
163.27007	1.4
165.01901	6.4
165.05621	2.9
167.03526	1.7
175.04028	1.7
179.03494	12.1
187.03995	4.8
189.01874	2.3
203.07169	19.2
203.12962	2.3
204.13110	1.7
205.05070	19.3
219.06680	2.0
231.02893	1.9
245.08179	37.6
247.06126	2.7
270.08926	2.0
271.05875	1.4
271.09738	2.2
285.11349	2.8
289.07196	100.0
329.10211	9.2
368.10220	1.4
423.14600	28.2
451.12469	21.6
520.91345	1.4
525.33649	10.4
585.19757	10.6
614.13202	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	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21572	4.6
57.38724	4.5
57.52632	5.1
59.01371	23.2
60.57467	5.4
63.16219	4.6
80.67912	5.9
99.61062	5.1
102.42269	5.4
103.43746	4.8
121.02954	100.0
147.04454	7.5
151.26019	6.3
152.42209	5.1
186.11510	6.1
244.51602	6.4
319.15454	12.2
329.81989	6.9
366.64142	5.0
525.21375	10.4
571.61090	5.5
585.11029	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	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81321	0.3
58.76231	0.3
59.01383	4.9
59.72658	0.3
62.52148	0.3
63.15635	0.3
72.59667	0.3
90.95236	0.3
92.70773	0.4
109.02950	1.4
121.02950	100.0
123.04454	0.4
125.02533	0.4
135.04538	0.6
137.02487	0.7
137.64177	0.3
147.04552	0.4
151.03979	0.4
154.26775	0.4
165.01967	2.4
205.05098	0.4
207.49126	0.4
259.13297	0.9
263.26721	0.4
289.07001	0.5
295.13412	0.5
299.12704	0.6
313.14639	0.6
343.15689	2.1
361.16412	0.6
373.16864	0.4
423.18192	3.8
433.18683	0.8
543.22333	3.2
585.23810	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	585.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43761	0.5
52.72015	0.5
52.92187	0.5
55.57050	0.6
59.01382	6.2
68.10713	0.5
87.69442	0.5
91.43162	0.6
92.19440	1.3
121.02950	100.0
128.52679	0.7
179.91418	0.6
193.08598	0.8
207.10263	1.1
231.10324	1.1
249.11404	0.8
259.13394	0.7
273.11456	0.9
303.12387	1.0
313.54404	0.5
317.13904	1.1
321.13419	2.4
363.14508	10.9
405.14993	0.9
423.17789	0.8
543.22467	23.5
543.30841	0.8
585.23596	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	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03436	7.6
118.55624	4.3
121.02948	100.0
148.72392	4.3
156.89024	5.1
164.01152	5.6
179.03540	6.1
216.10255	4.5
256.03793	5.0
284.03262	15.3
285.04105	5.2
299.05545	28.3
326.62830	4.4
391.08081	4.9
395.08527	4.4
395.13531	4.3
413.53452	4.5
419.07980	5.5
451.10422	5.5
477.19180	5.0
553.11182	25.5
554.93970	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	585.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.77061	1.0
69.10569	1.0
71.01388	13.6
73.02936	18.7
75.00880	1.3
75.03899	1.1
77.14271	1.1
83.01375	1.7
85.02936	5.3
87.00882	2.0
88.98808	10.7
89.02440	8.5
101.02441	11.2
113.02435	9.8
119.03508	2.6
125.02467	1.5
125.89092	1.2
137.02419	2.5
161.04643	2.4
170.37889	1.3
179.05647	1.7
199.09578	1.7
221.06802	1.3
384.13986	1.3
387.10825	1.6
407.50616	1.4
425.18146	5.1
481.28192	25.8
532.51355	1.2
541.30231	22.4
547.66437	1.2
585.11597	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	585.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.29733	1.2
78.31017	1.0
91.46807	1.1
143.53740	1.1
144.40059	1.1
244.11511	1.3
323.86331	1.4
585.30212	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	585.3205
Annotation	Inuline
Peak:m/z	Relative Intensity
50.04219	4.2
59.01387	100.0
63.47028	4.8
73.02975	7.0
88.98808	23.7
137.06070	7.3
154.43369	4.8
167.07124	6.0
195.10298	5.4
263.12860	92.7
283.02438	6.1
289.07352	6.2
295.15515	23.4
301.23502	5.2
333.17126	8.5
339.61987	4.9
345.16876	5.7
363.18109	10.8
465.21524	7.2
543.24774	20.2
585.23785	7.2
585.32648	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.357
Annotation	Unknow
Peak:m/z	Relative Intensity
79.18561	79.0
82.21456	77.6
93.23614	91.2
93.26913	91.6
197.04866	80.8
206.21692	84.0
217.88069	84.9
378.26703	89.3
444.01456	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	585.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72202	1.2
53.92501	1.2
56.11719	1.4
56.62709	1.6
56.84131	1.1
63.91487	1.4
79.05003	1.6
85.90068	1.4
102.69023	1.3
106.29744	1.5
137.87862	1.4
157.53822	1.5
158.17795	1.3
171.04062	1.5
173.80377	1.4
221.17059	2.8
221.19106	51.2
223.13280	1.7
239.20186	10.6
265.18118	44.2
283.19171	57.7
301.20258	42.8
371.40793	1.5
533.66437	1.6
585.30829	3.8
585.40143	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	586.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28376	0.5
59.01383	3.9
60.43813	0.5
61.98835	100.0
62.95703	0.5
88.66846	0.6
93.81683	0.6
98.72390	0.5
100.64246	0.7
126.12257	0.5
130.37346	0.6
165.19580	0.6
191.11391	0.5
238.34250	0.7
365.56564	0.6
398.28275	0.6
424.20596	0.6
484.22742	4.1
586.20685	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	587.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25868	1.3
57.37089	1.1
59.01389	18.7
66.05655	1.4
71.01398	3.0
73.02939	1.8
75.62470	1.1
85.02942	1.8
89.02423	2.3
101.02442	7.7
113.02434	2.4
121.02959	31.1
122.30493	1.4
138.41214	1.6
151.00380	5.1
152.87093	1.3
161.18182	1.3
163.06088	1.3
181.01434	17.1
291.19522	1.7
299.05646	4.9
318.52481	1.5
362.18750	1.8
374.04367	8.4
389.06769	12.6
401.02890	8.6
411.05051	1.4
425.06296	1.5
431.07639	5.2
442.03470	1.5
451.08224	10.6
475.08282	1.9
485.21564	1.6
493.05820	1.9
519.07343	61.2
520.68750	1.3
527.28802	17.3
551.09888	100.0
587.11877	2.0
587.24939	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	587.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29728	0.6
56.86445	0.5
59.01361	0.9
65.86641	0.5
77.99913	0.6
83.88553	0.7
115.81413	0.6
133.02950	1.4
136.88223	0.7
151.00351	5.6
178.99866	1.2
199.04077	0.6
202.61174	0.6
229.73248	0.6
234.78357	0.6
243.33118	0.7
249.89529	0.7
285.04062	100.0
301.03525	6.5
327.35016	0.7
591.70929	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	587.1202
Annotation	Kolaflavanone
Peak:m/z	Relative Intensity
50.07985	1.6
58.75543	1.9
59.42848	1.7
66.54614	2.0
93.03461	2.3
108.76697	2.2
109.02920	4.2
121.02962	32.3
125.02450	12.0
135.04489	3.2
136.88905	2.3
137.02451	4.8
143.47997	2.2
149.02477	3.0
164.01173	37.6
165.01927	81.2
193.01450	11.4
196.01085	1.8
229.04988	2.8
242.02158	2.2
243.02803	3.5
253.05017	4.8
257.04559	9.5
259.06134	3.7
269.00974	4.8
269.04691	2.2
270.01663	2.4
271.02582	8.7
271.06158	13.4
283.02457	8.3
287.05621	4.9
296.17734	2.4
298.01184	3.0
299.05450	3.2
300.02747	9.5
309.07724	7.9
315.05145	68.5
321.03955	8.3
335.05405	2.5
361.07385	4.2
373.60751	2.3
393.09695	7.1
421.05951	2.6
451.06635	10.2
453.08368	3.5
461.08881	3.8
503.09390	2.9
526.86719	2.3
543.12982	31.6
555.09277	3.7
569.10754	4.9
587.11987	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	587.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80262	1.2
59.01398	1.4
64.08217	1.2
68.99556	2.0
69.52441	1.4
88.98804	2.2
93.03481	2.8
109.02956	2.0
121.02953	8.8
125.02448	8.4
133.42726	1.6
137.02408	2.9
139.04027	2.0
149.02423	9.0
151.00345	9.2
163.00345	6.1
164.01134	7.2
165.01877	10.4
178.99847	2.4
179.03517	2.0
180.63217	1.4
190.99832	6.6
193.01407	3.1
200.31741	1.5
218.99297	2.2
230.02469	1.8
253.05089	2.2
255.03020	2.3
257.04538	23.8
269.04620	2.5
271.02481	3.5
273.04163	9.5
281.04294	1.6
282.01892	2.2
283.02298	2.7
285.04337	1.6
294.39304	1.6
297.03949	5.8
300.02756	3.4
301.03546	100.0
301.07043	3.2
312.02722	2.3
313.03589	6.9
315.05081	24.2
321.04141	1.7
341.03125	8.5
353.06726	1.8
375.08771	2.4
407.07800	3.1
419.07642	5.9
447.07275	9.7
451.06567	16.8
540.34583	1.7
540.90869	1.6
543.13354	1.5
569.10767	18.5
587.12054	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1203
Annotation	Kolaflavanone
Peak:m/z	Relative Intensity
51.17210	1.2
52.66634	1.4
58.68251	1.3
59.01375	6.2
60.99309	1.5
79.20363	1.1
83.01397	1.2
88.98802	15.3
89.02422	2.2
105.60356	1.3
109.02953	17.4
111.00867	1.5
123.00871	2.5
125.02415	2.0
135.00870	1.8
135.04506	4.4
137.02422	1.7
139.04025	2.7
150.03230	2.6
151.03973	1.6
159.04466	9.5
161.02461	3.0
163.00397	3.1
163.03915	1.2
164.01093	2.7
165.01961	9.5
165.05574	7.9
175.03996	2.0
176.01151	11.1
177.01955	2.9
177.05518	2.9
185.06018	1.5
187.04008	27.4
190.99721	1.9
191.03519	51.5
191.05415	2.5
195.06575	2.5
197.02513	6.3
202.99820	1.4
203.03432	5.4
205.94226	1.3
207.06610	1.5
211.03943	1.6
213.01962	1.9
214.02678	1.9
215.03493	28.1
223.02600	1.4
227.03348	2.3
229.05144	8.9
231.03000	8.9
232.03763	1.9
233.04611	8.5
235.02440	6.5
239.03604	1.8
241.01411	5.1
241.05110	2.7
242.02298	5.4
255.03029	5.5
256.03784	5.4
257.04587	7.9
259.02579	13.4
269.04483	1.8
283.02496	2.4
285.03949	2.0
297.03922	5.9
299.02151	1.4
300.02722	1.7
301.03506	13.8
313.03616	2.5
315.05164	5.6
346.04953	1.6
374.04333	1.6
405.06284	1.5
418.03387	2.1
433.05624	1.6
451.06702	74.1
493.96811	1.3
569.10852	1.9
584.65973	1.3
587.12103	100.0
587.20789	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	587.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31270	85.0
69.88060	85.6
75.44665	81.4
84.65085	78.5
123.54758	84.7
150.67030	100.0
213.19243	87.4
233.27669	80.6
280.63519	85.6
288.56711	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.0
60.70355	2.7
63.93375	3.4
88.98736	3.6
109.02955	3.6
114.57221	3.5
121.02945	100.0
122.03730	5.0
123.04497	13.8
125.02486	5.3
137.02505	4.0
151.03951	3.7
165.01918	30.4
209.45326	3.3
261.14832	3.6
292.64716	3.7
315.05270	4.7
358.86584	3.4
425.19669	22.2
587.25433	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	587.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17045	0.8
53.73582	0.8
56.28147	0.9
59.01385	19.8
67.13381	0.9
71.01386	4.0
73.02942	2.1
82.13427	1.4
89.02423	2.2
101.02433	2.6
113.02432	1.3
121.02946	100.0
123.04473	1.3
163.06126	1.6
165.01892	2.6
315.05038	1.2
453.28909	1.5
487.91229	1.2
511.83444	1.1
527.28662	11.7
587.11603	2.4
587.24646	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	587.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74342	0.9
59.01386	100.0
66.23670	0.8
75.01056	0.8
84.54528	0.8
109.02991	1.1
121.02955	23.9
151.04073	1.1
172.87131	0.8
179.09332	0.8
297.98929	0.9
374.72519	1.0
425.19992	3.5
579.00488	1.0
587.25665	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	587.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64616	0.4
59.01386	1.7
60.76332	0.3
68.84175	0.4
73.00578	0.3
79.50123	0.4
85.06524	0.3
89.70911	0.4
121.02952	100.0
133.71223	0.5
231.03267	0.4
339.98303	0.4
347.15802	0.4
419.72006	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	587.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50989	0.2
59.01385	0.4
66.01296	0.2
68.27686	0.2
72.00426	0.2
121.02952	100.0
130.43217	0.2
149.68201	0.3
154.11748	0.2
165.34361	0.2
180.56396	0.2
233.82423	0.2
289.07205	0.3
342.88995	0.2
358.31439	0.3
545.24261	0.9
587.25397	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	587.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
61.98838	0.9
71.01369	0.7
71.65620	0.6
88.98826	1.3
112.62681	0.6
116.92842	0.9
121.02953	100.0
137.02425	1.3
182.78726	0.8
338.27292	0.8
410.34818	0.7
587.25238	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	587.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	43.8
61.98827	0.9
68.04872	0.6
83.20166	0.6
88.28670	0.7
89.76572	0.7
97.00262	0.6
111.04531	0.8
121.02951	100.0
175.71323	0.9
331.27158	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	587.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
95.08636	2.3
127.07658	14.8
139.07657	100.0
157.08720	9.4
183.06635	8.9
201.07709	75.6
302.03418	1.4
316.80554	1.2
319.37488	1.4
364.99454	1.3
492.62793	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	587.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02483	1.1
54.21263	0.8
57.45738	0.8
58.59748	0.9
59.01387	100.0
61.57206	0.9
63.07267	0.9
63.62105	0.8
71.01376	5.6
85.01418	1.2
85.02943	1.0
89.02455	1.2
90.56640	1.0
101.02419	1.7
113.02412	1.7
118.66108	0.9
121.02950	1.0
124.72987	1.2
129.15872	1.1
161.04579	2.2
431.33939	1.1
497.23917	5.5
527.24835	6.1
587.27173	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	587.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41564	0.6
55.93017	0.5
57.41866	0.5
59.01380	3.1
60.99306	11.7
62.25121	0.6
65.25227	0.6
65.37651	0.5
65.94348	0.6
71.01370	0.6
74.04237	0.6
75.00866	0.8
76.20493	0.6
85.02955	0.8
87.00875	1.6
88.00407	1.2
88.98805	100.0
89.02440	17.2
165.05586	1.2
191.05632	37.7
200.81258	0.7
207.65030	0.6
216.78528	0.7
229.27031	0.7
265.66125	0.7
317.52863	0.8
365.19360	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	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26672	0.7
52.65507	0.6
57.03937	0.7
59.01383	55.1
71.01379	1.2
73.02934	1.6
79.66299	0.8
80.72522	0.7
85.02950	2.9
87.00909	1.3
87.04474	5.3
89.02463	1.0
97.06573	6.1
101.02428	1.2
106.34061	0.8
113.02425	3.1
123.08133	1.5
123.19277	0.8
138.04950	0.7
139.11214	1.0
141.09201	13.0
176.43040	0.8
199.09656	0.8
201.11336	100.0
244.32755	0.8
286.76779	1.1
527.25226	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	587.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
59.01384	57.2
60.00954	0.8
61.75025	0.9
65.75422	1.0
71.01376	31.1
72.21959	0.9
72.99301	1.2
73.02940	16.3
83.01384	7.8
85.02953	9.8
86.65471	1.2
87.00864	4.4
89.02441	26.4
95.01369	1.1
101.02433	40.8
103.04009	4.0
106.10522	1.0
113.02434	11.8
115.03996	5.6
119.03518	9.2
121.02959	22.7
125.02424	2.3
131.03490	6.0
143.03508	8.4
145.05107	3.4
161.04564	4.7
163.06120	16.6
167.78119	1.0
172.41252	1.0
205.07246	7.6
265.09256	4.0
381.22943	4.5
527.28644	100.0
587.23816	1.4
587.31934	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	588.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.3
59.31256	0.6
61.98835	100.0
66.89107	0.7
71.40138	0.7
109.02976	1.1
113.69911	1.0
125.02423	1.5
137.02414	1.0
139.03983	1.1
145.04959	0.8
161.02512	0.9
164.01134	0.9
165.01888	1.3
179.03429	0.9
285.04059	1.5
286.04306	1.0
298.04532	1.1
302.03854	1.3
315.05173	1.4
316.05362	1.1
400.00598	0.8
401.66278	0.9
588.12317	8.3
588.25500	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	588.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
65.47834	1.6
71.14349	1.8
92.20094	3.7
121.02952	100.0
125.02474	2.3
151.03996	2.0
193.60031	1.6
289.07272	1.8
365.15964	2.1
545.24005	10.3
588.26959	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	589.0995
Annotation	Manniflavanone
Peak:m/z	Relative Intensity
59.01400	4.5
64.61333	4.5
93.85194	4.7
96.12881	6.2
103.57745	5.0
125.02451	89.8
137.02390	6.8
151.00360	7.3
161.02428	31.0
227.03314	6.3
243.03008	64.6
283.02512	9.4
285.03955	9.9
287.05713	5.2
301.03525	100.0
437.05246	99.0
463.06802	10.6
589.09827	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0999
Annotation	Manniflavanone
Peak:m/z	Relative Intensity
53.44425	4.1
59.43538	4.8
62.21238	4.3
64.52877	4.4
83.01381	5.4
109.02913	6.1
125.02444	39.2
137.02541	6.6
139.04008	4.8
175.03993	8.8
194.97530	4.6
211.03970	4.4
211.86522	4.4
213.01913	5.0
214.46225	4.6
223.03845	4.7
225.05698	4.4
227.03459	9.3
229.04927	6.2
237.05705	6.3
241.05077	9.1
253.05046	5.7
255.06564	8.0
261.94485	4.8
265.04916	7.5
269.04724	5.1
281.04428	6.4
287.24539	4.7
293.04633	5.0
295.05933	9.5
296.03336	5.4
307.06326	7.4
309.04047	17.9
321.04047	10.4
323.05554	8.5
325.03442	18.6
344.88696	5.6
361.24210	4.8
437.05212	26.3
527.09821	17.8
589.09381	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	589.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94108	3.2
59.01383	3.4
63.25182	3.4
64.48750	3.0
64.64091	2.8
71.01378	13.2
72.29461	3.0
74.69306	3.2
94.44263	3.2
115.00358	20.2
119.05032	21.3
133.01447	100.0
134.03749	13.7
163.03990	33.2
180.64456	3.5
193.05080	36.6
220.28445	3.9
246.03035	3.7
279.05145	14.5
297.85321	3.4
309.06442	4.1
524.34595	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	589.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27652	2.7
59.01382	5.8
61.53218	2.8
88.98808	4.4
89.02438	4.1
92.20101	5.3
95.31532	3.0
109.02947	20.7
122.06090	4.4
123.00874	3.7
123.04452	16.7
124.01663	3.7
125.02437	36.8
133.02945	5.6
137.02501	23.0
138.03188	3.7
139.00369	7.3
139.04015	29.3
140.01181	17.9
149.02394	20.0
150.12862	3.0
151.03983	7.8
153.01900	13.8
155.03473	21.4
161.02460	48.8
162.03207	4.2
163.00366	7.6
164.01135	25.5
165.01944	22.2
167.03481	27.6
175.04045	3.5
176.01169	4.1
177.01926	18.0
178.99846	6.1
190.79153	3.3
191.03621	3.0
191.05641	3.2
205.01529	4.5
217.05046	13.0
227.03537	4.5
227.08380	5.4
228.04424	4.6
231.02831	6.6
241.05046	5.0
241.09711	7.5
243.02913	25.3
256.03848	18.1
257.04688	4.3
258.01697	14.1
259.02515	43.6
269.04568	4.4
269.12921	7.7
271.02457	58.5
271.06006	21.5
272.03217	34.0
273.04050	5.2
275.14041	7.2
282.07230	4.7
283.02527	13.9
285.04004	19.0
289.07211	6.1
297.03937	5.8
297.09543	5.5
298.01181	5.3
299.02029	28.2
299.05328	6.7
300.02548	6.2
317.06665	43.9
373.11172	17.9
391.27011	3.8
405.06213	5.7
407.07669	5.5
411.30737	4.0
421.05637	7.3
422.06421	4.7
423.07254	27.8
437.08737	18.8
450.05969	100.0
451.06775	17.6
453.08383	6.3
463.06705	13.9
557.11151	18.0
589.11139	24.0
589.26550	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	589.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.9
59.01378	0.6
62.31079	0.4
83.70098	0.5
108.80183	0.5
111.93295	0.4
112.95611	0.5
125.02441	100.0
129.82135	0.5
133.02950	0.8
134.91777	0.6
137.02446	0.9
139.04041	2.6
161.02444	28.3
164.01180	2.6
165.01938	0.8
172.42255	0.5
243.02933	0.5
245.04465	0.7
257.04535	2.4
269.04529	1.8
287.05670	14.2
301.07095	1.8
332.10699	0.5
390.03860	0.5
427.10397	12.7
529.26434	0.8
589.15271	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	589.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	6.5
68.45702	1.5
74.09481	1.5
79.20764	1.5
80.60418	1.8
81.03452	1.7
88.98770	2.7
95.04993	2.0
95.67387	1.5
97.02952	4.0
100.53542	2.1
109.02962	40.9
113.11086	1.6
121.02967	3.2
121.40144	1.5
122.03725	9.7
123.04527	60.5
124.01628	3.1
125.02416	14.5
137.02423	11.8
139.04016	23.8
145.02939	1.6
149.02432	3.6
150.03305	2.6
151.04025	31.5
153.01965	2.0
159.04364	1.7
161.02531	3.9
163.00337	12.5
163.03981	11.6
164.01176	46.4
165.01982	17.1
167.03493	27.1
175.03984	4.1
175.07684	1.8
178.02748	20.7
179.03514	100.0
181.05031	3.1
187.03996	3.1
188.04752	2.4
191.67851	1.7
193.05038	3.9
203.07167	17.0
205.05045	16.7
221.08345	3.0
245.08202	28.4
252.04482	1.7
257.04486	3.2
267.06622	6.7
269.04547	2.4
270.05389	6.7
278.46890	1.8
285.07730	16.1
289.07199	89.5
289.10471	3.0
296.03320	1.8
298.74695	1.7
299.05719	2.0
303.08759	50.4
343.08261	6.8
365.49222	2.5
421.09305	11.3
435.10699	9.1
449.12421	6.5
453.11996	9.5
557.14343	8.0
571.15723	2.0
589.17175	37.5
589.27924	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70932	1.2
61.41345	1.3
93.03416	1.5
109.02955	28.7
110.20477	1.2
116.08008	1.7
122.03705	11.7
123.04503	54.0
124.01653	2.5
137.02484	2.2
139.04016	20.7
145.02878	2.0
151.04005	24.4
161.02417	8.1
163.00368	25.8
163.03989	9.5
164.01164	48.6
165.01941	2.3
178.02698	23.7
179.03493	100.0
181.05013	2.0
193.04977	5.1
204.00613	1.9
205.01450	2.1
208.24748	1.4
219.02971	3.4
255.06491	2.8
257.04639	2.5
267.06644	2.2
269.04541	3.0
270.05270	6.7
285.07687	20.4
296.80496	1.8
299.05554	5.1
303.05405	2.9
303.08755	50.0
342.07440	2.5
343.08167	8.4
421.09171	7.5
435.10834	13.5
449.12601	11.0
539.13593	1.8
557.14624	12.8
571.16309	6.2
589.17255	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23019	2.0
51.64005	2.1
58.57705	1.7
59.01370	3.3
62.88470	1.8
67.37284	1.9
74.88905	2.2
82.64855	2.2
93.03448	3.5
95.04996	3.1
98.24413	2.2
109.02953	27.1
121.02968	48.2
122.03726	10.6
122.06089	4.6
123.04510	62.9
124.01649	2.3
125.02429	3.0
126.02756	2.3
135.04492	3.1
137.02411	5.1
139.03999	24.3
151.04033	31.9
161.02452	5.0
163.00348	22.6
163.03996	11.9
164.01161	60.7
165.01949	22.6
166.02275	8.2
177.53918	2.3
178.02766	23.8
179.03496	100.0
193.05084	3.6
204.00635	4.4
216.44122	2.2
219.02879	3.9
219.04890	2.2
225.17897	2.2
226.12343	11.4
227.08360	16.0
241.09824	33.5
242.10664	21.4
242.14034	2.3
254.10762	2.6
255.11394	22.2
257.04489	2.9
269.12927	47.5
270.05292	4.4
271.05835	4.1
275.13953	9.6
285.07675	19.4
287.97958	2.9
299.05463	3.6
303.08716	51.4
313.11969	10.5
314.12845	8.9
315.05127	2.8
316.05283	4.4
317.05670	14.4
327.04590	3.4
343.08276	4.2
358.97345	2.5
403.21317	2.1
421.09296	13.2
435.10666	11.7
449.12543	12.5
453.07172	4.3
545.13556	13.8
557.14301	10.6
586.98834	2.6
589.12537	29.9
589.17139	47.0
589.26740	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03490	2.1
98.37413	2.1
105.68410	2.0
109.02944	24.5
122.03723	10.9
123.04519	52.2
124.01624	3.1
130.06764	2.0
131.14441	1.9
139.03979	19.6
151.03995	28.6
155.52440	2.2
161.02435	5.1
163.00386	23.2
163.04030	5.1
164.01160	47.9
178.02675	27.5
178.75233	1.8
179.03517	100.0
181.05037	2.3
181.26453	1.8
193.05077	5.0
195.06720	2.0
204.00676	3.5
205.01375	2.5
210.44873	2.2
255.06700	2.4
270.05328	3.5
285.07724	25.7
299.05576	2.4
303.08762	63.6
343.08203	7.3
421.09299	13.3
435.10754	15.2
449.12302	11.7
483.43405	2.4
557.14532	13.2
571.16870	3.5
589.17328	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	589.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38401	1.6
68.38725	2.1
71.90866	2.0
73.02984	1.9
88.98814	3.4
92.20078	5.6
109.02946	28.5
116.92854	10.2
121.02956	4.4
122.03727	12.2
123.04514	60.9
124.01583	2.8
125.02440	12.9
135.04549	3.0
137.02451	8.8
138.03227	2.2
139.04008	22.8
141.01907	4.6
145.02957	2.1
149.02505	2.1
151.03978	31.1
153.01938	7.8
161.02455	12.0
162.03152	2.4
163.00368	29.2
163.03990	9.2
164.01160	53.2
165.01898	9.2
177.01926	8.4
178.02702	25.4
179.03508	100.0
181.05118	2.9
193.05046	8.2
203.07106	2.5
204.05716	2.1
205.01369	3.1
205.04977	2.4
219.02922	3.8
241.05182	2.8
245.08144	3.3
255.02954	3.6
255.06587	3.9
257.04489	8.9
257.08270	2.1
269.04547	3.7
270.05426	4.4
283.02518	3.7
285.04138	8.8
285.07703	23.2
289.07187	2.9
299.05551	4.2
303.05045	9.1
303.08743	39.2
306.20004	2.1
311.05783	2.3
342.07294	3.2
343.08255	11.7
421.09360	16.3
427.45639	2.3
435.10895	9.3
449.12778	15.1
557.14514	12.6
589.16876	38.8
589.25525	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	589.2294
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
50.53530	0.8
51.85615	0.9
71.21181	1.1
86.73916	1.1
89.66408	1.1
113.95739	1.1
121.02956	100.0
136.75769	1.2
171.86113	1.2
227.39017	1.1
289.07236	1.6
300.62631	1.2
391.17651	15.6
543.22467	2.6
589.27368	1.9
611.61670	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	589.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50214	0.9
57.36802	0.9
62.25417	1.2
87.82307	1.2
92.19450	2.2
95.09542	1.1
99.69959	1.1
103.00306	1.1
109.83448	1.1
216.35292	1.1
280.11057	59.7
295.13345	1.5
308.10577	43.3
323.12894	58.7
417.84613	1.4
434.12735	1.2
531.18262	6.5
574.23376	2.5
589.26038	100.0
616.81598	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	589.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.3
62.43406	0.5
63.41379	0.5
64.54676	0.5
71.01386	0.6
88.98781	0.6
93.99778	0.5
109.02940	2.1
121.02953	100.0
122.16886	0.6
123.04498	2.5
125.02418	1.4
137.02437	0.7
139.04042	1.0
141.78134	0.7
151.04042	1.4
163.00446	0.8
164.01100	2.6
165.01872	0.8
165.05518	0.6
178.02704	1.3
179.03525	4.3
245.08255	0.9
259.06061	0.6
267.83459	0.8
281.97128	0.6
289.07401	4.5
289.14343	2.7
303.08728	1.0
303.61383	0.6
313.25458	0.7
347.06342	0.5
427.14838	0.7
527.35590	0.6
529.24615	3.4
553.21100	1.0
589.17273	0.6
589.26935	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	589.2654
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
54.29552	0.7
55.77304	0.8
60.12823	0.8
61.53418	0.8
79.69093	0.9
81.47950	1.0
82.12626	0.9
82.40624	1.0
89.02438	1.2
95.05006	1.0
99.56252	1.0
109.02938	3.4
121.02926	1.1
122.06119	13.4
123.04496	4.1
125.02463	2.3
137.02473	2.1
138.05574	0.9
139.04044	1.9
139.06364	1.9
146.06096	4.5
147.06879	1.2
149.02402	1.0
151.04031	4.0
152.07129	2.2
153.01994	1.8
161.02458	1.1
164.01149	2.1
165.01942	1.8
167.03487	10.1
179.03522	4.2
203.07141	1.7
205.05145	1.7
208.00769	1.0
211.62196	1.0
226.12436	7.9
227.08253	10.3
241.09836	37.2
242.10608	13.0
245.08167	3.9
245.12906	5.9
255.11383	17.8
257.12900	1.1
269.12967	38.6
270.13724	4.9
274.13184	2.3
275.14075	12.1
283.05017	1.1
289.07260	12.4
303.08832	2.1
313.12003	5.8
314.12668	4.1
342.66721	1.1
344.18002	1.1
362.18643	2.0
381.38837	1.2
383.16168	1.0
453.12012	4.7
589.26764	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	589.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82721	1.3
58.95458	1.6
59.01397	18.4
61.98852	2.2
84.91085	2.0
85.65897	1.7
121.02943	45.4
122.06118	11.6
123.04519	3.1
125.02491	3.5
137.02448	2.6
146.06107	4.2
161.02533	1.9
164.01125	2.3
165.01875	2.0
165.05505	1.8
167.03395	1.8
179.03496	2.7
226.12315	9.3
227.08255	10.4
240.58957	1.7
241.09853	32.4
242.10583	9.8
245.12953	10.1
255.11342	21.7
269.12976	38.4
274.13278	2.4
275.14038	20.9
289.07248	2.8
313.12061	6.5
314.12735	3.4
372.08148	2.1
547.25385	13.8
589.26855	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	589.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
80.60226	0.9
95.05016	1.1
121.02943	19.1
122.06116	14.9
125.02427	1.0
134.45894	1.0
136.07668	1.1
139.06349	2.2
146.06119	7.1
152.07262	2.8
155.10904	1.2
210.23047	1.4
226.12358	16.3
227.08325	19.1
227.11900	2.2
230.10722	1.8
240.09143	1.3
241.09828	46.0
242.10616	18.1
245.08047	1.6
245.12891	3.8
246.61839	1.0
254.10846	1.4
255.11385	33.3
268.12381	0.9
269.12936	55.7
270.13684	7.4
271.14584	1.4
274.13330	1.9
274.25153	1.3
275.14032	16.2
284.11789	1.0
285.12540	1.1
286.13196	1.3
299.10504	1.0
313.11926	9.0
314.12842	7.6
394.17670	1.5
453.19019	2.3
454.19934	1.7
589.26782	100.0
616.82574	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	589.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88958	0.9
64.24852	0.8
89.98244	0.9
109.02936	1.0
114.62508	1.0
114.78094	0.9
122.06106	29.5
125.02489	1.4
128.55162	1.0
136.07721	1.2
138.97266	0.9
140.07265	2.0
146.06151	4.3
150.95171	0.9
151.04027	1.0
152.07170	12.2
162.30011	0.9
203.07158	1.5
226.12314	11.1
226.43391	0.9
227.08231	12.2
227.11919	2.0
230.10645	2.2
241.09819	24.3
242.10669	10.3
245.08282	3.7
245.13025	7.7
254.10764	1.8
255.11360	14.8
259.11047	1.3
269.12930	48.6
270.13730	3.5
274.13373	1.6
275.14017	25.3
289.07315	4.2
294.91360	1.3
313.12006	14.9
314.12848	4.3
447.64798	1.1
454.19843	1.1
551.96729	1.1
554.74054	1.0
589.26880	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	589.267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35476	1.1
54.24443	1.0
76.64028	1.4
83.45992	1.6
83.72729	1.3
87.36761	1.4
88.98803	8.8
91.83801	1.5
94.06611	1.3
95.05002	3.0
108.75195	1.6
109.02933	3.0
122.06113	36.6
123.04499	2.0
125.02402	3.2
136.07675	2.6
137.02444	3.1
139.06378	1.8
140.07161	2.2
146.06099	7.0
151.04001	2.7
152.07167	14.9
161.06026	2.4
165.01971	2.2
179.03499	2.9
187.04031	1.6
203.07101	9.2
205.05072	6.0
215.76251	1.4
226.12419	20.1
227.08411	13.5
230.10559	2.6
240.09044	1.6
241.09821	34.6
242.10562	10.1
243.11526	1.9
245.08232	13.3
245.12863	8.1
249.83516	1.5
254.10635	2.0
255.11458	22.2
259.10840	1.7
269.10193	2.7
269.12961	61.8
270.13620	1.7
271.14584	2.0
274.13174	6.5
275.14014	35.3
289.07126	17.7
313.12015	19.6
314.12646	8.5
454.20212	1.7
589.27246	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	589.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	46.9
66.81155	2.0
70.18520	1.9
71.01381	29.2
72.87561	1.7
72.99297	2.1
81.03469	2.0
85.02948	3.7
88.98798	5.8
89.02444	44.8
101.02448	16.2
106.01052	1.7
113.02466	14.5
119.03493	17.1
125.02432	7.2
137.02428	3.4
143.03525	1.9
161.04570	2.2
165.01895	2.7
179.05617	44.1
207.88750	2.0
215.07141	7.4
243.06625	7.1
349.20258	7.1
367.21259	100.0
368.47769	1.9
383.24423	2.7
412.41855	2.2
529.26282	3.0
567.03778	1.8
589.15710	28.6
589.29114	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	589.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88135	1.0
59.01384	27.1
68.37622	1.2
71.01379	25.2
73.02946	15.2
75.75366	1.5
83.01378	8.3
85.02940	11.7
89.02440	6.1
98.76929	1.3
99.00861	6.5
101.02449	38.4
103.03970	2.0
108.13656	1.4
113.02452	16.6
121.02937	6.1
125.02418	3.1
131.60594	1.3
136.70108	1.2
143.03441	2.0
159.02971	5.1
161.04529	15.2
165.01851	3.1
172.58957	1.2
179.03598	1.2
243.68723	1.2
305.55585	1.3
383.24417	14.3
471.31064	1.4
529.30200	100.0
589.26892	5.9
589.32739	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	589.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38232	1.7
59.01384	100.0
65.30635	1.8
68.34771	2.0
91.88319	1.9
95.39162	2.2
140.24707	2.1
234.49803	2.1
277.21652	13.0
295.84134	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	590.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
59.82933	0.7
61.98836	100.0
83.52277	0.7
92.69564	0.7
109.02856	0.7
121.02941	0.7
226.05345	0.6
241.50168	0.7
530.29614	0.9
536.82867	0.9
590.28033	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	591.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52861	1.3
66.64182	1.5
92.19471	4.4
96.96009	8.3
100.97657	1.3
102.89240	1.5
107.01373	6.3
125.02448	15.4
151.00368	54.2
153.01903	6.7
165.01807	1.6
169.01419	7.0
175.58038	1.6
178.99867	100.0
181.01424	6.5
201.05569	1.4
229.05057	8.7
241.05078	9.1
257.04657	4.4
280.72937	1.5
285.04248	2.0
289.07343	1.6
295.02432	5.9
299.42456	1.4
347.05325	2.7
365.06509	3.0
384.02014	1.6
393.06210	3.3
403.04861	2.2
411.07260	2.3
573.06567	6.1
591.07965	57.8
591.29675	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	591.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44911	0.5
55.34789	0.6
58.02959	0.6
70.65055	0.6
71.01372	4.4
82.39269	0.6
82.65676	0.6
92.19457	1.4
101.68447	0.5
115.00379	17.0
121.02929	2.7
133.01430	100.0
135.04532	12.3
179.03499	31.2
295.04584	15.2
377.97571	0.7
436.51462	0.6
540.49976	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	591.1515
Annotation	Ourateaproanthocyanidin A
Peak:m/z	Relative Intensity
54.74644	1.2
57.03443	9.7
57.25304	1.4
57.75560	1.5
59.01378	2.3
62.14276	1.3
88.18829	1.7
88.19412	1.5
93.03459	1.8
97.61344	1.7
109.02944	23.9
111.04503	34.6
113.69534	1.7
118.45139	1.4
121.02966	1.8
123.04511	2.2
124.01695	2.1
125.02440	100.0
133.02948	6.7
137.02428	18.5
138.03223	18.4
139.04007	88.0
151.04024	2.2
161.02388	6.2
164.01146	76.0
165.01924	15.6
166.02684	2.1
167.03503	11.2
168.03860	1.8
169.20580	1.8
177.01941	21.1
178.02681	2.3
179.03493	34.5
203.07214	2.8
223.13359	2.0
229.05078	3.1
243.03172	1.7
255.02887	3.2
256.03735	3.5
257.04608	3.1
271.06082	23.2
281.04498	2.1
282.01651	13.1
283.02444	2.6
297.03995	9.4
311.05737	1.6
319.08218	45.2
359.07709	10.5
423.07184	3.9
437.08768	35.9
453.96182	1.8
465.11972	19.0
591.15210	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1518
Annotation	Ourateaproanthocyanidin A
Peak:m/z	Relative Intensity
57.03454	3.2
58.91743	1.3
62.46490	1.1
64.78745	1.1
68.93321	1.1
77.08089	1.3
97.02972	2.1
109.02940	21.6
111.04521	23.6
112.12137	1.6
117.68370	1.3
121.02915	1.9
123.00873	2.6
123.04560	5.5
125.02432	100.0
133.02998	5.4
137.02426	16.1
138.03249	14.1
139.04007	59.5
149.02510	1.5
151.04021	6.5
153.01970	1.6
161.02432	9.6
163.00458	1.6
164.01166	53.6
165.01913	42.1
165.04124	1.5
167.03517	11.7
168.33562	1.5
177.01949	16.4
178.02708	2.2
179.03497	22.5
203.07231	2.3
219.02992	1.8
245.04356	1.7
255.03009	7.0
255.06750	2.1
256.03659	3.1
269.00977	2.7
270.05408	1.9
271.03513	1.7
271.06091	16.6
282.01758	6.9
283.02493	2.3
285.04108	1.8
289.07181	1.9
297.04150	8.1
312.06403	2.2
319.08273	26.9
358.07217	1.6
359.07828	6.4
421.09396	1.6
423.07486	2.5
437.08838	31.8
439.06635	1.7
465.07159	1.9
465.11807	14.2
591.15375	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87993	2.6
71.67437	2.6
80.46464	2.5
85.16132	2.4
88.27911	2.7
89.49956	2.4
96.95991	11.9
96.96940	11.9
97.02930	3.7
109.02946	39.6
121.02954	2.7
123.04495	19.4
124.52340	2.3
125.02453	24.6
137.02441	58.5
139.04036	14.2
147.04506	3.6
149.02441	36.2
151.03981	34.8
161.02528	4.1
161.06094	3.3
161.40904	2.5
163.03957	2.6
163.96945	2.5
164.01132	2.9
165.01898	6.3
167.03467	5.2
179.03503	18.1
187.03926	4.3
188.04726	2.7
191.03531	13.8
202.06403	3.5
203.07176	33.6
205.05089	19.1
213.05632	4.8
215.07115	47.6
221.08182	4.0
227.07185	3.8
245.08171	52.0
257.08066	4.1
289.07172	100.0
301.07117	76.9
439.10495	41.2
488.71494	3.0
519.54077	2.8
591.15112	49.9
607.17230	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	591.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01374	3.7
60.98997	1.5
63.63854	1.4
68.25708	1.6
71.01376	2.6
83.01372	2.2
85.02930	1.9
89.02441	2.3
96.96066	2.4
97.02932	7.5
108.02178	1.9
109.02952	29.3
113.02445	1.8
121.02942	2.7
122.03748	3.8
123.04505	17.2
125.02447	32.7
135.04558	3.7
137.02452	24.1
139.04042	7.2
140.93939	1.7
148.77019	1.7
149.02443	11.9
151.04016	15.5
159.04539	3.5
161.02428	9.3
161.06061	14.7
162.03162	2.6
163.00372	2.6
164.01201	2.5
165.01962	15.5
166.02589	2.3
167.03410	1.9
175.00372	2.8
175.03969	6.8
177.01790	2.7
179.03494	16.7
187.03970	9.7
188.04776	8.8
201.05542	1.7
202.06419	4.2
203.07187	28.5
205.05035	30.6
221.08232	8.3
227.07167	3.4
231.02946	3.3
245.08147	30.9
247.06184	3.6
259.06192	15.1
270.05237	2.8
271.06042	3.9
273.07648	3.7
289.04178	3.6
289.07202	81.4
300.02368	1.8
301.03552	4.1
301.06958	2.7
336.49039	1.7
437.12335	14.3
465.08527	3.6
591.09637	3.5
591.18842	100.0
591.28058	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	591.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27456	8.4
76.12476	9.8
93.71724	12.6
106.01260	11.0
121.02928	100.0
127.37030	8.9
128.46506	11.3
150.94125	10.8
195.75410	11.4
200.73747	12.1
241.45885	10.4
529.34406	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	591.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91850	0.8
59.01387	100.0
69.38660	0.8
102.20840	0.8
109.02937	1.6
122.03756	5.3
123.04506	1.8
125.02440	1.8
137.02438	6.6
138.03311	1.1
139.74283	0.7
149.02419	1.4
154.54803	0.8
164.01208	1.4
165.01939	24.0
174.09563	0.9
177.01935	1.1
179.03535	4.5
202.33012	0.9
203.07121	3.4
205.05069	1.4
347.69171	1.0
547.30475	1.1
591.29840	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	591.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
72.76538	1.2
80.82983	1.3
83.29282	1.2
92.87601	1.2
135.01994	1.5
144.28107	1.4
165.01871	3.1
167.84459	1.5
279.76416	1.5
319.02570	1.4
337.53387	1.4
367.62903	1.5
436.46246	1.4
591.30029	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	591.2592
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.01373	8.2
69.76138	3.7
71.01369	7.8
75.59084	3.7
85.02975	5.1
88.98780	3.7
108.47668	4.0
113.74638	4.2
121.02987	7.7
125.02406	8.1
138.09264	8.4
148.39790	3.9
151.04015	4.5
164.01068	4.9
165.01895	6.5
179.03432	4.6
181.08650	4.9
215.08359	6.3
223.17003	8.3
239.11906	4.7
241.09808	18.6
269.20093	4.8
272.27063	4.7
306.09235	4.3
465.72806	4.8
531.24170	4.9
591.26373	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	591.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13231	1.0
64.05307	1.1
78.73966	1.4
91.12478	1.3
120.16774	1.2
178.32520	1.4
184.65683	1.6
186.08826	1.5
191.81711	1.3
216.04836	1.5
426.37943	1.5
443.22665	1.4
443.80707	1.3
459.21741	2.4
471.26404	1.8
472.22733	1.8
485.20065	1.7
487.25186	2.1
497.23547	2.8
499.21280	5.4
500.22064	15.2
515.24530	100.0
559.23413	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	591.2618
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.56465	1.9
52.17251	2.0
78.45235	2.4
84.56387	2.2
96.14337	2.3
124.46664	2.5
142.03905	2.3
209.58392	2.7
391.54816	2.4
479.27191	2.5
497.23477	4.4
499.21268	2.7
500.22153	17.3
515.24512	100.0
559.23761	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	591.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04552	1.8
76.05935	2.0
92.20026	3.0
96.96030	3.5
134.47963	2.0
138.18471	2.2
171.10300	28.1
217.15779	2.4
277.21732	60.0
295.22791	100.0
295.26108	3.3
406.99203	2.3
591.37097	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	593.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66500	0.7
59.67748	0.7
65.00336	1.4
71.64779	0.7
121.02906	0.7
136.26299	0.6
163.00298	0.9
165.01926	13.8
186.18970	0.8
222.43512	0.7
341.81424	0.7
371.05640	1.7
383.05328	1.2
388.05896	48.1
388.10989	1.6
400.02319	2.8
403.08212	24.0
415.04587	27.8
433.07037	0.8
501.06107	0.9
503.07819	0.9
515.03955	1.2
517.05554	6.2
518.06909	6.2
531.07220	4.4
533.09180	1.3
546.06329	3.0
549.08923	1.3
561.08270	15.8
593.10919	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	593.1306
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
59.01385	12.0
65.78075	0.4
87.64935	0.5
106.95532	0.5
116.08392	0.5
121.02950	100.0
121.29640	0.5
125.02437	0.7
165.01926	2.2
177.01955	0.7
181.06580	2.5
197.06131	1.8
207.04491	0.7
209.04553	23.3
225.05617	2.7
250.63121	0.5
313.07196	2.1
417.09656	0.7
505.11548	0.5
549.10181	4.3
593.13007	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	593.1308
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03449	6.6
59.96811	1.2
66.40810	1.2
67.09538	1.2
71.94160	1.2
72.50876	1.5
104.42193	1.3
109.02951	12.9
111.00830	1.7
112.95757	1.3
120.19186	1.3
121.02953	1.9
123.04517	7.0
125.02439	100.0
137.02429	20.6
139.04008	1.5
145.26845	1.3
149.02417	3.1
151.04030	11.7
161.02501	2.9
163.04036	1.7
164.01149	2.6
165.01915	7.7
165.36519	1.4
167.03519	5.8
175.03981	6.4
177.01935	89.3
179.03490	3.4
179.34937	1.5
187.03989	1.9
202.06361	1.8
203.07196	9.6
205.01445	1.5
205.05092	9.9
215.38725	1.4
217.05064	3.3
229.05028	6.5
243.02861	2.0
245.08151	17.1
255.02893	5.5
256.03687	5.5
261.03867	2.1
273.04117	2.1
281.04553	2.5
285.04080	5.8
289.04044	1.5
289.07162	38.9
297.03983	1.7
303.05038	8.7
315.05127	2.5
339.08688	5.8
407.07761	31.7
423.07135	2.3
425.08832	38.3
441.08273	3.0
467.09778	15.2
526.29755	1.6
532.31696	1.3
593.13068	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1312
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03452	5.7
57.76134	2.2
66.44810	2.5
68.48276	2.4
69.30264	2.2
86.25381	2.6
86.64926	2.6
109.02949	20.6
123.04526	4.0
125.02452	100.0
137.02440	20.9
149.02441	5.9
151.04001	13.5
153.01942	5.0
161.02402	3.4
161.66490	3.2
162.48674	2.8
165.01968	5.5
175.03981	13.2
177.01939	90.8
179.03448	3.6
182.26633	2.6
187.04051	5.9
203.07130	16.3
205.05087	5.3
243.02902	5.4
245.08160	19.5
255.03081	12.1
256.03729	6.1
269.23428	3.4
285.04083	4.1
289.07257	44.1
303.05447	3.4
339.08844	4.7
345.76236	2.6
407.07864	44.0
425.08902	52.9
441.08093	3.4
467.09775	5.7
593.13336	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1312
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
56.36987	2.3
57.03451	3.5
61.43239	2.7
64.87796	2.4
90.87991	2.8
97.02956	3.2
109.02959	13.3
121.26728	3.0
122.39954	2.7
123.04498	11.9
125.02441	100.0
137.02437	20.2
143.83810	2.7
145.71704	3.1
149.02460	4.1
151.03976	23.0
153.01953	26.6
159.04454	3.4
161.02435	11.9
164.01138	3.7
165.01888	4.8
167.03519	3.3
173.49594	2.7
175.03960	6.3
177.01932	90.0
179.03456	6.2
187.03961	5.8
199.55614	2.7
203.03668	2.9
203.07137	6.5
205.05051	6.5
217.05038	4.6
229.05089	6.5
243.02937	6.5
245.08211	13.9
255.02905	11.4
257.04437	3.7
281.04608	4.5
289.07260	40.6
303.04984	3.6
339.08606	3.2
407.07736	47.3
425.08829	49.4
441.08313	19.1
467.09753	13.7
593.13287	39.5
614.72760	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	593.1306
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
52.63577	1.2
53.37904	1.2
57.03449	2.3
57.40705	1.1
63.05841	1.3
65.10660	1.1
69.11122	1.3
83.01384	1.5
86.21938	1.6
89.44727	1.4
109.02943	13.7
123.04523	7.4
125.02437	100.0
127.13988	1.5
137.02443	24.2
139.04002	2.5
149.02464	5.7
151.04021	15.0
161.02414	3.0
161.06093	2.9
163.04051	1.9
165.01944	6.5
167.03479	6.2
175.03987	9.7
177.01926	86.8
179.03476	7.3
187.03976	7.6
189.90419	1.6
203.07150	10.7
205.01479	1.6
205.05051	10.5
217.05009	1.7
228.04439	1.5
229.05074	3.2
231.02979	1.9
245.08153	20.7
255.02977	9.1
256.03772	8.8
257.04669	2.8
273.04074	3.1
281.04575	3.0
281.45770	1.8
283.02417	2.7
285.03888	5.0
289.07187	40.3
297.04123	1.7
303.05035	6.7
305.06577	3.5
330.86810	1.7
339.09106	4.8
407.02612	2.7
407.07700	44.4
423.07455	3.1
425.08823	51.1
441.08298	5.7
467.09842	13.4
484.43829	1.6
575.12024	2.2
593.13080	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
54.73105	0.6
55.83564	0.6
57.03439	3.2
59.01371	1.4
69.79718	0.6
81.03460	0.8
83.01380	1.2
89.02464	0.9
97.02946	1.1
100.44109	0.7
103.27312	0.6
109.02927	4.9
111.04492	4.3
121.02966	1.5
123.04525	2.7
125.02439	100.0
133.01422	3.2
135.04520	1.1
137.02438	29.4
138.03154	1.0
139.04047	9.9
149.02444	1.7
151.03966	5.1
161.01184	0.9
161.02435	16.2
162.03271	1.0
163.00317	1.4
163.03929	1.0
164.01128	4.9
164.02353	0.7
165.01930	16.0
167.03491	14.2
174.34215	0.7
175.03973	5.6
177.01926	19.8
177.05531	2.8
178.02649	1.2
179.03513	14.0
187.04022	4.1
191.05666	7.5
191.07175	1.3
201.05569	1.6
203.03500	3.4
203.07118	1.7
204.04282	3.0
205.01393	3.4
205.05017	3.2
215.03516	1.3
217.05006	1.4
219.06612	11.1
221.04535	6.1
225.05588	1.0
227.07117	0.8
228.04402	0.8
229.05029	3.8
233.08067	0.8
243.02982	6.0
243.06635	1.2
245.04506	6.1
245.08153	3.5
255.03027	7.3
256.03906	2.7
257.04388	1.7
261.07706	2.8
263.05487	1.4
269.04489	2.8
273.04099	1.3
282.01517	1.2
283.02460	9.0
285.04022	4.2
287.05521	6.2
289.07233	7.0
297.04123	5.5
299.05612	1.2
303.04990	1.2
305.06671	35.0
405.05612	0.8
407.07739	4.9
423.01764	1.4
423.07285	31.2
423.12976	1.3
425.08850	12.7
441.08328	14.1
467.09848	13.2
575.12061	3.8
581.12103	0.8
593.13062	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
50.75090	1.6
54.05871	2.0
54.73147	1.8
55.42053	1.6
55.64497	1.7
55.97122	1.7
57.03438	2.6
62.96229	2.0
109.02966	3.2
111.04523	3.0
125.02438	100.0
137.02443	22.5
139.04018	11.4
142.82239	2.3
151.03934	9.0
161.02458	12.2
165.01932	14.5
167.03506	11.6
175.04041	11.5
177.01939	18.1
179.03499	9.2
203.03458	3.4
205.01460	4.1
215.03532	2.4
219.06569	11.0
221.04523	3.8
243.02890	4.6
245.04633	3.5
255.02898	11.0
256.03839	3.4
273.04135	2.0
283.02573	15.8
287.05621	7.5
289.07178	9.5
297.03940	4.7
305.06668	46.4
319.27042	2.2
407.07660	8.3
410.33011	2.1
423.07202	41.8
425.08878	11.0
426.55643	2.4
441.08148	20.0
467.09879	22.9
531.54669	2.0
575.12042	4.6
593.13135	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
54.05328	0.7
57.14485	0.7
60.51263	0.8
62.30523	0.9
66.09450	0.8
71.53604	0.9
86.22884	0.8
138.36032	0.9
151.00444	3.0
163.00392	0.9
188.37927	1.0
197.06165	1.2
199.03976	1.3
213.05571	1.7
227.03560	12.0
229.05057	8.1
241.04977	1.1
255.02982	31.4
256.03867	6.1
257.04590	9.3
267.02933	1.1
284.03281	100.0
285.04056	97.6
593.15167	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
71.01382	3.9
73.44317	0.4
75.00851	0.4
75.70882	0.4
85.02947	0.6
89.02448	44.7
91.91574	0.4
101.02448	5.1
113.02459	2.7
119.03479	4.9
131.03497	1.7
143.03470	0.6
164.07693	0.5
215.69394	0.4
251.07736	100.0
267.42459	0.5
423.69351	0.5
569.20361	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	593.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65949	0.2
53.07653	0.2
56.24692	0.2
59.01376	6.5
64.49121	0.2
68.67985	0.3
70.64251	0.3
71.01382	6.1
73.02950	0.4
85.02953	1.1
89.02439	40.5
92.32012	0.3
101.02435	5.3
113.02417	3.3
119.03484	4.7
131.03510	2.0
143.03398	0.3
161.04562	0.5
179.05615	0.4
188.01540	0.3
246.32730	0.2
251.07727	100.0
295.10370	1.1
510.49524	0.3
593.19464	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	593.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45685	2.9
53.50614	2.8
55.82380	2.5
55.92849	3.1
57.03448	3.5
57.80640	2.9
59.01386	100.0
60.01624	3.2
78.47836	3.5
80.96536	4.0
94.98077	3.4
106.60062	2.9
109.02940	6.1
116.08272	3.1
116.92779	4.7
123.04510	4.3
125.02448	82.4
137.02454	42.9
145.02940	17.0
149.02507	5.3
151.04041	4.9
159.04529	3.7
164.98506	3.3
165.01926	4.3
177.01912	7.2
179.03476	4.5
187.03975	4.3
192.77286	3.4
203.07147	6.1
205.05092	3.6
245.08209	21.7
248.28964	3.3
255.23477	4.7
271.06140	50.3
285.20706	29.1
289.07187	49.5
353.17581	4.3
413.19266	10.3
473.21957	5.8
513.28778	12.5
557.27441	43.3
593.26831	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	593.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16473	1.6
55.14255	1.6
59.01382	100.0
67.98083	2.4
80.96524	2.6
105.11391	2.2
109.02921	3.9
116.92825	10.6
119.77815	1.9
125.02439	41.4
137.02417	18.1
145.02989	7.9
149.02382	2.0
165.01859	3.1
177.01945	2.9
187.04024	2.3
203.07091	3.5
245.08180	13.0
271.06125	20.9
285.20679	11.0
289.07156	30.0
321.85574	2.0
353.17633	7.8
413.19791	11.6
419.24725	2.0
473.21790	13.0
513.29132	2.6
550.19769	2.0
557.27380	17.8
593.26355	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	593.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36674	0.6
57.95908	0.7
58.78632	0.6
58.82018	0.6
59.01383	100.0
59.12242	0.7
66.71484	0.6
71.01373	0.7
75.35061	0.7
96.95981	0.8
115.62514	0.7
165.01923	1.5
255.02934	1.1
259.26575	0.8
284.03250	9.6
285.04019	8.9
341.60669	0.7
356.15842	0.7
593.15192	7.4
593.30664	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.60091	1.1
60.60723	1.4
60.81056	1.2
76.23008	1.2
77.52428	1.1
80.02276	1.2
89.11001	1.5
103.65540	1.3
111.74685	1.3
121.02940	47.9
121.86978	1.5
123.25679	1.2
147.04506	6.8
157.03149	1.3
198.23587	1.5
209.04570	9.6
212.04660	1.3
217.49258	1.3
255.23242	2.1
284.03149	5.1
294.51617	1.6
354.80527	1.4
593.13562	12.9
593.25690	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55748	0.6
57.52966	1.0
58.64382	0.7
59.01375	1.5
74.16379	0.9
78.95907	26.8
91.37811	1.0
96.96939	5.6
152.99576	66.9
171.00632	4.2
223.00134	8.7
241.01207	25.4
277.21738	58.9
315.04816	5.2
378.77426	1.0
504.73776	1.1
559.96051	0.9
593.27374	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	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.63507	0.8
78.95904	31.2
87.72821	0.9
92.19354	1.5
92.23004	0.7
96.96949	6.7
152.99585	74.5
171.00606	1.6
178.44064	0.8
182.13057	0.8
223.00136	10.4
241.01225	23.6
259.02176	1.3
274.79324	1.0
277.21735	60.7
311.84668	1.1
315.04922	4.9
408.07706	0.9
593.27417	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	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35179	0.9
57.03438	1.3
59.01383	89.4
61.53997	1.1
67.82399	1.2
68.62481	1.4
69.80384	1.2
71.01380	47.3
73.02943	5.0
73.16357	1.2
74.02468	2.3
75.00879	3.3
78.95928	1.5
83.01383	2.1
83.35059	1.3
85.02961	6.7
87.00870	2.2
89.02439	74.7
95.01382	1.6
96.79858	1.3
96.95992	2.6
99.00883	1.5
101.01806	2.0
101.02439	43.6
112.98604	2.0
113.02444	28.9
119.03506	19.9
123.04552	2.0
125.02438	9.8
131.03516	2.5
137.02419	1.5
143.03525	2.7
146.12326	1.5
149.02440	2.1
149.04532	2.1
151.00357	2.8
151.03973	1.4
161.04576	5.8
165.01933	1.6
174.99022	1.3
177.01961	1.7
178.99847	1.8
179.05612	19.5
191.05588	1.8
203.08365	2.9
225.14944	1.5
225.96948	1.4
227.03503	6.6
229.04987	3.2
245.09192	6.2
255.02930	11.6
256.03787	2.2
257.04477	2.6
284.03259	51.8
285.04037	55.5
289.07281	2.3
303.05069	5.6
431.22952	12.8
452.24088	1.4
515.57465	1.3
533.26086	100.0
593.15155	55.5
593.25836	7.5
593.28491	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	593.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44914	1.0
54.56517	0.9
59.01385	100.0
63.89087	1.0
63.95060	0.9
72.63219	1.0
73.02947	2.8
76.86720	1.2
82.23642	1.1
85.83581	1.1
91.37859	1.2
92.19389	3.3
104.45055	1.1
136.63635	1.1
138.80460	1.0
158.35678	1.3
173.92140	1.1
331.19312	1.4
373.20065	8.3
424.86206	1.4
445.25830	1.5
453.64737	1.3
489.24933	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	595.1252
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
59.01374	1.2
78.11189	0.6
79.65416	0.6
92.19444	1.1
103.72789	0.7
104.41995	0.6
107.24735	0.6
147.04523	7.7
150.84659	0.6
300.02676	1.3
357.04681	0.7
358.04413	0.8
388.01117	1.2
388.05939	27.5
389.06876	6.3
403.08273	17.1
404.05606	0.9
415.04578	5.4
461.05865	0.9
491.07825	3.2
505.05869	1.4
519.07324	12.6
520.08081	5.9
533.04987	1.4
534.05945	6.4
535.23187	1.0
547.06769	8.5
548.07489	14.7
549.08337	11.7
563.09894	12.9
580.06500	1.1
595.12555	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	595.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12833	1.3
59.01369	1.8
65.07928	1.1
76.98901	1.5
92.20100	2.6
118.76337	1.3
119.39689	1.2
129.43805	1.4
170.36061	1.5
188.23758	1.3
191.03615	1.6
220.00316	1.7
262.84546	1.3
300.02740	2.1
321.07700	1.8
330.05197	1.4
345.07681	8.0
371.05518	2.2
374.04242	8.3
388.05881	14.6
389.02078	1.8
389.06778	38.4
403.08237	4.9
413.07065	1.5
415.04617	30.9
463.81689	1.5
509.05405	1.5
520.08148	6.0
547.06464	2.0
548.07513	5.3
549.08838	2.3
563.09631	12.1
595.12555	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	595.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.9
66.07623	0.7
78.95917	0.8
97.02937	1.2
110.52463	0.7
117.75273	0.8
121.02899	0.8
152.99625	1.0
165.01918	13.8
191.23358	0.7
217.08559	0.7
238.02902	1.2
250.43643	0.7
253.05112	2.9
256.03741	1.0
265.01413	1.4
389.03018	2.9
397.07306	2.9
403.04324	1.2
404.05389	53.3
405.26349	0.8
414.07333	0.9
431.03766	2.7
504.08405	1.1
519.07153	1.3
547.06757	7.3
548.07727	1.1
549.08282	13.2
563.09796	11.9
579.09131	1.3
580.09967	1.4
595.12524	100.0
595.27979	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	595.125
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
56.16680	1.0
59.01381	2.4
76.18710	1.2
78.95885	1.0
89.32944	1.0
100.12743	1.0
139.99995	1.1
141.89783	1.1
147.04465	1.7
165.01860	1.6
166.07515	1.1
300.02859	3.4
334.97281	1.1
404.05307	21.1
430.03159	1.4
518.06763	8.8
519.07581	8.1
547.06726	58.7
548.07465	21.5
563.09875	100.0
595.12543	65.2
595.28143	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	595.1253
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
65.00326	1.0
66.63750	0.5
82.39286	0.6
97.02950	1.0
121.02959	0.6
123.55659	0.7
165.01936	14.1
281.15854	0.6
307.05743	0.9
389.03000	4.3
403.04611	3.5
404.05380	47.5
404.66992	0.7
428.05594	1.1
431.04056	1.4
504.08496	1.2
519.07257	6.3
520.08014	1.4
547.07056	7.7
548.07477	14.6
549.08203	13.3
563.09845	15.2
580.06281	0.7
595.12549	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	595.1255
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
62.65410	1.1
64.97678	1.0
68.09203	1.2
74.36655	1.0
75.39902	1.1
112.63355	1.0
121.68740	1.1
127.88052	1.2
164.33983	1.1
165.01938	1.8
192.64774	1.2
360.06384	5.1
387.48111	1.3
389.03052	4.7
404.05377	100.0
419.07660	4.7
431.04059	7.7
445.06000	1.3
560.25946	1.3
563.10168	2.2
595.12592	71.7
595.28003	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	595.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95515	0.5
57.38643	0.5
59.01375	3.1
78.55575	0.6
89.70605	0.6
107.33718	0.5
110.00119	1.3
131.36125	0.6
141.51782	0.7
153.46104	0.6
165.99069	7.0
179.10835	0.7
181.01428	1.0
203.44653	0.7
218.36189	0.6
219.32947	0.6
225.10555	0.6
251.17052	0.7
300.02869	2.9
361.03418	3.1
367.06256	1.4
389.02924	2.5
404.05374	37.5
416.01999	2.6
419.07794	16.3
431.04294	5.0
477.06223	0.8
491.07617	0.8
505.05682	1.1
519.07202	3.2
533.05066	18.0
547.06720	2.5
548.07446	15.1
549.08289	3.1
549.32880	0.7
563.09961	16.0
580.06531	3.0
595.12549	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	595.1309
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.18794	0.5
61.78664	0.6
62.70142	0.6
63.91215	0.6
72.41888	0.5
72.91415	0.6
77.33377	0.6
111.96671	0.6
121.02940	0.8
129.84273	0.6
151.00366	8.4
153.40742	0.8
178.98438	0.6
178.99838	6.1
243.03035	0.8
252.95517	0.7
254.02283	1.2
255.03012	9.5
271.02469	20.2
272.03223	3.0
273.03949	0.7
283.02615	0.8
300.02762	100.0
301.00330	1.2
301.03561	26.0
310.24982	0.7
349.50354	0.6
396.81036	0.6
406.31018	0.6
428.48169	0.6
512.49353	0.6
559.45758	0.7
595.13123	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20502	0.5
55.71015	0.5
57.83184	0.5
58.41156	0.5
59.01373	2.8
62.16128	0.7
78.95904	3.5
96.96008	37.6
96.96932	11.3
101.02406	0.9
116.92851	2.4
135.04274	0.6
140.23122	0.6
151.00363	7.8
163.00371	0.8
178.99828	5.6
193.71469	0.6
203.03503	0.6
227.03557	0.9
236.33762	0.7
254.02168	0.8
255.02991	11.3
269.22327	0.6
271.02438	17.2
272.03256	1.2
273.03989	0.7
283.02441	0.9
299.02057	0.7
300.02756	100.0
301.03546	28.5
305.94244	0.7
388.18274	0.6
595.13098	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12695	2.4
57.03452	3.6
64.95500	2.1
66.09743	2.5
77.53882	2.5
99.04525	11.7
109.02934	5.0
123.04350	2.6
125.02445	100.0
126.02795	25.9
127.02914	12.8
128.03510	4.5
137.02444	22.1
138.02814	11.3
139.04031	11.6
143.04617	13.8
143.45296	2.5
151.04016	12.0
161.02452	17.9
161.06068	3.1
164.01079	3.4
165.01913	10.3
167.03557	5.8
168.03857	5.1
175.03987	9.6
177.01921	46.0
178.02274	20.3
179.02306	3.3
179.03592	4.4
187.04016	5.2
203.03616	3.1
203.07010	3.7
205.01405	2.7
205.04926	3.8
219.06537	5.3
227.07129	18.8
229.04955	3.2
230.05571	2.8
245.08226	4.7
246.08368	3.3
255.02962	5.0
256.03708	3.5
257.03775	5.8
269.04352	2.8
272.08865	11.8
273.09134	4.8
283.02496	5.0
285.03479	3.1
287.05258	3.5
289.07184	11.3
290.07480	10.8
291.07635	10.2
298.04504	3.2
304.05359	3.5
305.06653	11.3
307.07062	5.9
322.04788	3.4
323.68671	3.2
407.07501	4.0
408.07977	10.8
409.08411	18.4
423.07257	4.2
424.07617	5.3
425.07941	20.2
426.09180	13.8
427.09570	19.5
442.08365	4.6
443.08954	5.1
468.10452	3.3
469.10538	12.3
595.13831	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1465
Annotation	Bulbineloneside A
Peak:m/z	Relative Intensity
50.18734	0.6
51.87606	0.6
58.49534	0.7
59.01378	5.7
61.98829	0.8
65.03486	0.7
71.01375	0.8
84.01051	0.6
85.23523	0.8
87.70499	0.7
88.98795	5.4
96.96020	1.1
112.98513	0.8
116.92838	1.2
132.28970	0.8
136.52852	0.8
171.04543	1.8
181.08710	18.0
193.47865	0.8
198.03235	8.8
199.04031	1.3
212.04788	1.1
213.05644	6.0
214.02750	1.3
225.01923	3.5
242.02193	3.9
257.04553	54.9
269.01007	1.5
271.02548	1.0
299.05530	6.3
300.02750	7.7
341.04288	1.2
342.05368	23.5
343.06030	9.1
345.07739	1.1
356.06824	1.2
357.03613	1.1
357.07654	25.6
371.05585	1.6
374.04135	6.2
374.08063	13.4
375.08801	4.4
385.14890	0.8
389.10370	20.0
400.05905	1.4
401.06638	20.7
415.08218	6.4
433.09308	100.0
443.07596	0.9
475.10358	21.0
505.11523	0.8
535.12683	5.6
595.14569	35.7
595.30133	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	595.1676
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.80276	1.0
59.11419	0.9
66.46198	0.9
75.29266	0.9
75.74969	1.0
79.31276	1.0
100.52306	1.0
111.16893	1.0
119.05007	11.6
121.02966	1.0
125.02460	3.9
145.02951	4.7
147.04451	1.0
151.00378	4.5
163.03998	1.2
165.01965	1.6
167.03542	7.7
186.06253	1.0
187.03931	2.5
191.03497	1.3
191.05608	4.7
191.79698	1.1
192.00682	1.2
193.01433	7.0
197.04507	1.9
205.01430	5.9
207.02913	2.0
209.04568	4.2
219.03111	1.8
223.02527	1.4
227.07076	1.5
235.02565	12.8
249.04048	1.8
265.03503	5.7
271.06061	2.1
313.07217	17.4
325.07355	9.3
339.09091	1.7
343.08185	6.9
352.06085	1.2
355.08255	59.8
367.08261	5.1
385.09302	44.6
397.09460	3.8
415.10406	10.5
475.12317	11.0
505.13385	1.9
595.16797	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	595.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72797	0.5
58.83686	0.5
59.01386	1.4
81.03465	0.7
83.32209	0.6
91.07201	0.5
111.00861	1.0
118.55729	0.6
121.02951	1.1
123.04524	21.6
125.02439	6.8
137.02473	0.6
139.04037	0.6
149.02490	0.9
163.03969	0.8
164.01144	1.4
167.03502	100.0
173.04532	1.2
179.03575	0.8
181.05093	2.7
191.03511	12.9
209.04643	6.4
233.04512	0.8
457.28214	0.8
595.16803	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16438	2.3
59.59953	2.1
63.48196	2.3
90.58366	2.7
92.20068	9.4
105.75429	3.0
121.02937	13.5
125.02424	2.8
127.34969	2.5
129.88957	2.7
139.04030	3.2
153.03632	3.0
164.01117	2.7
179.03519	4.4
298.64987	2.8
595.19611	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	595.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
69.02554	1.8
84.12013	2.0
121.02946	38.4
121.06506	2.1
126.22326	2.0
129.71361	2.5
135.04527	3.3
137.02434	2.8
595.19531	100.0
595.26892	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	595.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03046	2.0
83.78014	2.3
100.23112	2.2
100.99158	2.2
110.84252	2.2
120.02550	2.4
121.02954	24.9
125.02464	2.3
126.69700	2.1
140.86491	2.3
197.80638	2.3
200.98007	2.2
211.46118	2.6
273.11063	2.6
426.57715	2.4
455.48572	2.7
464.92752	2.6
517.21039	3.1
595.05096	3.1
595.19604	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	595.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91747	1.2
55.24215	1.1
56.01325	1.0
57.02942	1.0
57.20043	1.1
59.01374	6.9
71.01377	5.4
71.71909	1.2
85.02979	2.0
86.80687	1.2
87.59489	1.3
87.60402	1.3
92.08502	1.1
95.05041	2.1
99.04520	1.6
113.02457	9.5
119.08647	1.4
121.02952	50.1
123.08173	2.0
125.02432	4.9
135.08195	1.3
137.02425	2.8
137.09726	5.3
139.04028	1.7
139.07684	1.9
143.03523	2.2
149.06081	2.0
151.03963	1.9
165.09184	7.7
167.07132	1.8
174.06805	2.7
175.07645	50.5
181.08745	5.1
191.07182	2.2
193.08696	16.0
201.09195	2.1
217.12361	16.9
235.13478	2.4
245.11850	7.6
257.04590	6.5
263.12891	100.0
271.02368	1.6
287.12552	1.2
300.02774	2.5
342.05243	1.8
357.07635	1.9
359.14929	4.9
394.80798	1.2
398.94763	1.2
401.06595	2.0
419.17139	5.7
433.09253	14.9
437.18198	8.2
503.55029	1.4
559.22009	1.7
595.19482	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	595.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09534	0.7
57.90687	0.7
59.01387	100.0
59.54066	0.8
61.49441	0.8
72.90640	0.7
75.00872	4.6
87.00837	1.0
90.36967	0.7
90.89709	1.0
95.84234	1.0
96.95994	7.9
96.96977	1.1
103.93910	0.9
119.03514	1.1
167.05757	1.1
253.09096	1.0
255.03096	0.9
271.02380	2.0
285.03833	1.9
286.04013	1.7
287.04526	1.3
300.02780	16.3
301.03601	5.6
311.12842	1.9
329.13849	1.5
355.19864	0.9
380.63565	0.9
389.16095	3.7
407.17032	1.9
449.18286	4.9
595.13312	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	595.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13673	0.5
56.23251	0.5
56.57443	0.5
56.64311	0.5
57.23873	0.6
59.01383	8.1
94.10690	0.7
104.04179	0.6
113.52584	0.7
121.02949	100.0
125.02422	2.5
137.02428	0.8
142.13692	0.6
149.06075	18.1
167.03387	0.7
171.37660	0.8
177.02008	0.9
209.04570	74.0
209.08145	27.6
269.59076	0.7
300.02554	0.8
450.55765	0.8
595.14063	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	595.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23299	0.7
56.85881	0.7
57.08911	0.7
59.01385	100.0
87.04472	0.7
88.98807	1.5
89.19582	0.8
92.19418	1.2
96.95989	4.5
119.03515	1.4
136.16286	0.9
168.64375	0.8
198.03238	1.0
221.82739	0.8
257.04642	5.7
267.13919	0.9
271.02484	1.1
280.11044	4.7
295.13376	28.3
300.02750	12.0
301.03506	1.5
315.71030	0.9
342.05475	1.1
355.15427	9.3
357.07721	2.0
373.05295	0.9
374.08447	1.1
389.10287	1.8
401.06531	1.4
423.81857	1.0
433.09296	9.8
523.72113	0.9
535.24664	1.0
595.13507	10.8
595.23993	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	595.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.46656	1.1
69.79213	1.1
95.72923	1.3
117.95493	1.3
143.81305	1.2
182.53178	1.4
182.94896	1.3
199.04752	1.4
263.85889	1.3
329.04254	1.4
383.76938	1.5
414.98563	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	595.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12609	0.7
59.01387	100.0
65.41858	0.7
75.72034	1.0
80.89265	1.0
92.19442	1.8
148.00273	0.8
165.01953	0.9
166.02222	1.1
241.06090	0.8
242.68390	0.9
326.17209	1.1
433.16751	1.0
481.75793	0.9
595.31958	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	595.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
75.50927	0.6
96.96008	0.6
114.35976	0.7
128.25128	0.6
248.63834	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	595.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75971	1.7
59.01383	100.0
73.02955	4.7
117.05565	15.6
122.66575	2.0
128.00702	2.2
150.05443	2.1
158.85045	2.1
164.16214	1.8
168.08231	2.0
181.04988	2.1
337.01157	2.0
595.19318	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	595.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72573	1.0
59.01385	100.0
73.95604	1.2
87.66681	1.3
92.19431	2.4
94.39668	1.4
106.88607	1.3
108.97453	1.4
130.86467	1.3
132.46179	1.2
139.26941	1.3
140.32892	1.2
173.72093	1.3
227.75851	1.4
300.78812	1.6
373.64828	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	595.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.30533	1.1
88.98815	4.2
89.40064	1.1
101.02406	1.3
116.92865	8.6
121.02905	1.2
142.11453	1.2
148.91026	1.2
151.33112	1.0
163.62563	1.1
165.01863	1.3
165.65599	1.1
183.22743	1.1
186.53128	1.3
437.63284	1.1
595.31848	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	595.2897
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.41050	1.3
56.04300	1.2
61.32090	1.2
66.21513	1.3
78.95899	29.2
85.23354	1.2
92.19376	2.6
93.34351	1.2
96.96941	6.1
116.64818	1.3
152.99582	61.3
240.98735	2.0
241.01187	38.2
261.42017	1.2
279.23297	98.0
300.02722	2.2
315.04941	2.7
358.94894	1.2
416.19562	1.4
595.13373	3.1
595.28973	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	595.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
64.78589	0.7
74.56393	0.7
75.96955	0.7
78.78625	0.9
78.95906	28.6
83.50236	0.8
96.96938	7.1
152.99582	73.9
171.00693	2.8
223.00153	12.1
241.01186	25.0
259.02307	1.5
279.23300	99.5
315.01767	0.8
315.04813	6.3
490.83060	0.9
526.41064	0.9
595.28937	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	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99399	0.8
62.98109	1.0
77.14986	1.0
78.95903	24.9
86.79388	1.0
92.20094	1.3
96.71444	1.1
96.96951	5.6
130.67339	1.0
137.18159	1.0
152.99580	71.7
169.24815	1.0
205.20354	1.1
223.00133	9.9
231.77611	1.1
241.01202	22.1
276.66562	1.1
279.23300	82.2
280.33191	1.1
315.04843	4.1
380.31915	1.1
497.73819	1.4
549.92957	1.3
586.91602	1.2
595.28961	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.00524	0.8
74.11388	1.0
74.55251	0.9
78.95907	27.1
96.96967	7.4
99.28345	0.9
101.41838	0.9
121.43141	1.1
136.12463	1.1
138.39452	0.9
152.99582	79.6
158.80603	1.0
171.00642	2.2
175.02556	0.9
201.12862	0.9
207.46002	1.0
223.00107	9.8
241.01205	24.5
279.23309	97.1
315.04895	6.0
316.74918	1.0
510.24399	1.1
595.28973	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	595.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84362	0.7
51.07411	0.7
59.01383	3.1
66.95474	0.7
67.31636	0.6
78.95908	27.3
92.46828	0.8
96.96950	5.1
104.47968	1.0
112.30981	0.7
113.08047	0.8
152.99588	69.2
171.00624	1.6
223.00125	8.8
241.01180	20.2
259.02213	1.1
279.23306	92.4
303.97247	1.0
315.04935	4.7
595.28992	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	595.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.1
63.04733	1.4
71.01390	23.8
73.02934	8.3
77.03618	1.3
83.01422	2.1
85.02946	11.6
89.02434	6.2
92.19476	2.6
96.96004	8.1
96.96968	2.3
101.02437	24.9
108.58099	1.5
113.02432	13.2
121.02937	2.4
125.02450	7.1
150.03259	1.3
161.04546	2.6
162.41531	1.2
165.01967	1.6
165.05539	2.4
245.08069	2.3
253.95036	1.5
257.04559	2.2
269.04752	2.9
418.11490	1.6
427.67493	1.5
551.25275	2.1
557.24103	2.0
559.12366	13.6
595.29816	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	595.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02409	0.7
54.47174	0.7
56.09850	0.6
59.01384	100.0
60.85780	0.8
61.09431	0.7
73.02948	3.1
77.90186	0.7
92.20063	1.0
96.96004	3.6
117.05585	3.1
120.94370	0.9
190.41971	0.9
243.98994	0.9
294.12442	1.0
322.65121	0.9
598.41107	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	595.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65632	1.0
59.01387	41.1
73.02944	54.2
92.19510	2.0
97.29310	1.2
109.13968	1.2
117.05575	100.0
152.43279	1.2
312.06454	1.1
403.24353	1.3
435.81351	1.3
464.99142	1.2
521.38458	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	595.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37609	0.8
51.40723	0.8
53.93432	0.7
59.01385	100.0
62.13182	0.9
70.20576	1.0
71.01373	1.3
87.04527	1.6
89.02443	23.2
98.52309	0.9
99.38356	1.0
113.87545	0.9
133.05069	21.9
149.52185	1.0
154.45456	0.9
161.90567	0.9
181.40144	0.8
259.96329	1.0
295.17252	1.2
419.24219	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	595.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59173	0.8
53.90434	0.8
58.27375	0.9
59.01385	100.0
121.22896	0.9
123.82309	0.9
133.05064	3.6
165.01817	1.1
230.13637	1.0
370.80978	0.9
385.94269	1.0
595.31604	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	595.3496
Annotation	L-Urobilinogen
Peak:m/z	Relative Intensity
59.01388	100.0
72.35354	1.0
77.60262	0.9
85.02953	1.2
143.29639	1.0
173.11897	1.2
475.30597	6.2
535.32813	15.3
535.40283	1.5
595.34955	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	597.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
61.18904	0.6
63.22829	0.7
70.05223	0.8
71.31055	0.7
81.06520	0.8
90.35809	0.8
131.99495	0.9
147.04515	1.4
148.01633	1.6
149.02444	5.7
154.71587	0.8
163.03937	0.8
176.59903	0.8
192.00629	1.5
311.90424	0.9
322.04752	0.8
337.07147	1.0
374.03976	1.1
375.05081	1.1
389.06689	21.0
413.06287	1.3
415.04324	3.5
430.06787	3.4
523.06421	1.0
550.05182	9.1
551.06189	12.6
565.07550	15.1
565.14124	0.8
569.11176	1.8
582.08539	8.0
597.10486	100.0
597.20435	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	597.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95807	1.1
58.81626	1.2
59.01388	1.2
59.09800	1.2
63.62024	1.1
65.00341	2.0
89.01897	1.2
100.82734	1.3
124.01647	30.7
139.04015	59.2
148.01561	2.0
165.01973	5.3
166.02628	1.8
181.05020	12.0
236.10977	1.3
266.02206	21.2
281.04593	38.8
293.00903	8.5
410.04303	34.6
411.05045	1.9
425.06705	100.0
433.09366	1.6
442.03470	1.8
457.09308	98.6
469.05389	1.9
517.55823	1.4
579.12842	2.4
597.14050	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86206	1.5
55.20924	1.5
56.74994	1.3
59.01382	1.8
65.02121	1.6
68.27616	1.6
72.99306	20.9
75.83327	1.5
77.79945	1.4
78.07550	1.9
80.51582	1.4
82.59756	1.5
93.03436	3.1
94.76098	1.5
99.00896	2.1
107.05001	6.3
125.02435	2.7
136.04005	1.6
147.04578	1.7
149.06097	7.1
151.04088	2.3
155.03627	1.7
160.04094	1.6
165.05571	67.7
179.03520	23.1
182.06578	1.6
193.05112	15.7
203.84944	1.7
255.02438	3.3
255.05121	100.0
279.10733	2.9
289.07175	2.1
343.20862	1.7
597.14221	3.2
622.70715	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44486	1.2
55.93897	1.4
59.01379	7.8
62.93390	1.2
66.49550	1.3
69.11111	1.2
71.01373	6.0
77.64035	1.3
83.01355	1.6
89.02437	1.8
89.51082	1.4
93.03446	2.9
101.02487	1.7
115.00359	9.5
115.35599	1.4
123.04494	7.8
125.02425	8.3
128.24707	1.4
133.01434	29.2
135.04539	1.5
137.06122	2.9
139.04012	2.5
165.05522	8.1
167.03499	34.0
177.05629	1.7
179.03479	6.2
181.05045	1.8
189.05565	2.3
193.05098	1.9
197.04552	9.9
209.04546	40.7
221.04604	3.0
223.05963	1.7
229.08678	1.9
233.04355	1.4
234.22794	1.5
239.05638	21.5
251.05583	6.1
263.05685	1.9
269.06689	2.2
273.07617	6.7
285.07855	1.8
300.02658	11.4
301.03317	2.1
315.08716	28.6
327.08664	13.6
339.08798	1.8
341.10196	1.9
345.09857	9.5
357.09814	100.0
369.09732	3.3
387.10898	57.4
399.10703	2.0
414.72549	1.5
417.11996	18.2
459.12997	7.9
463.08875	8.4
477.14041	38.0
489.14188	6.3
496.78033	1.4
507.15280	5.5
597.18262	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
60.99314	7.1
69.19453	0.8
76.13677	0.7
83.01364	1.4
88.00404	1.6
88.98808	57.0
89.02447	11.4
90.68250	0.8
97.02934	1.9
109.02946	12.5
121.02940	5.4
122.03713	4.1
123.04539	12.0
136.01645	1.0
137.02446	4.4
139.04004	1.8
149.02406	6.3
150.03259	1.0
151.04016	5.3
153.25403	0.9
159.04454	1.1
161.02412	1.4
161.06050	2.1
162.03163	2.1
163.03940	3.2
164.01097	1.2
164.04897	1.2
165.01912	10.9
165.05583	1.5
175.04068	1.1
179.03481	1.1
187.04057	3.7
188.04845	1.1
191.03523	2.1
201.05557	1.0
203.07135	12.1
205.05081	15.3
229.05054	0.9
231.02919	1.5
241.12352	1.2
247.06122	3.5
269.08194	1.4
271.09772	8.5
283.09763	12.4
285.11389	3.4
295.09702	1.2
307.09821	5.8
311.09229	4.8
313.10748	1.3
325.10892	4.0
367.15457	2.0
391.15549	5.8
435.14551	100.0
504.25455	1.1
553.89154	0.9
597.20013	22.2
597.28223	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	597.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25473	0.9
58.64845	0.8
59.01383	5.1
60.22331	0.8
61.19502	0.8
64.90787	0.8
67.23940	0.7
69.12699	0.8
83.01389	1.8
88.98823	1.5
97.02939	1.7
101.02444	0.9
109.02934	13.9
110.78087	0.9
121.02944	9.6
122.03741	4.2
123.04531	14.6
125.02402	1.7
135.04562	1.7
137.02440	5.2
138.03198	1.1
142.02921	1.0
145.48244	0.8
149.02490	8.7
150.03189	1.4
151.04012	9.7
161.02435	3.6
161.06088	4.1
162.03236	1.7
163.04007	3.7
164.01167	1.3
165.01970	10.4
165.05602	3.5
167.03532	1.1
175.04082	1.0
179.03505	3.8
179.84822	0.9
188.04739	1.7
191.03535	2.0
193.05081	4.1
203.07135	10.5
205.05072	13.3
229.08553	1.5
231.03049	1.5
243.10179	1.1
247.06114	5.2
269.08145	1.5
271.09802	9.3
283.09821	17.3
285.11307	1.8
307.09772	5.6
311.09314	6.6
325.10840	2.0
349.14435	1.2
367.15613	1.1
391.15530	7.8
395.15390	1.0
405.99069	0.9
435.14532	100.0
445.14914	1.2
562.35303	1.0
574.50897	1.1
597.19476	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	597.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25473	0.9
58.64845	0.8
59.01383	5.1
60.22331	0.8
61.19502	0.8
64.90787	0.8
67.23940	0.7
69.12699	0.8
83.01389	1.8
88.98823	1.5
97.02939	1.7
101.02444	0.9
109.02934	13.9
110.78087	0.9
121.02944	9.6
122.03741	4.2
123.04531	14.6
125.02402	1.7
135.04562	1.7
137.02440	5.2
138.03198	1.1
142.02921	1.0
145.48244	0.8
149.02490	8.7
150.03189	1.4
151.04012	9.7
161.02435	3.6
161.06088	4.1
162.03236	1.7
163.04007	3.7
164.01167	1.3
165.01970	10.4
165.05602	3.5
167.03532	1.1
175.04082	1.0
179.03505	3.8
179.84822	0.9
188.04739	1.7
191.03535	2.0
193.05081	4.1
203.07135	10.5
205.05072	13.3
229.08553	1.5
231.03049	1.5
243.10179	1.1
247.06114	5.2
269.08145	1.5
271.09802	9.3
283.09821	17.3
285.11307	1.8
307.09772	5.6
311.09314	6.6
325.10840	2.0
349.14435	1.2
367.15613	1.1
391.15530	7.8
395.15390	1.0
405.99069	0.9
435.14532	100.0
445.14914	1.2
562.35303	1.0
574.50897	1.1
597.19476	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	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
68.57861	1.6
71.01382	10.8
73.83124	1.5
74.61476	1.5
80.22592	1.5
84.93106	2.0
85.99045	1.8
89.02437	15.0
92.20029	2.7
94.26808	1.8
101.02433	9.8
109.02940	10.1
113.02448	4.2
119.03487	7.9
121.03048	1.8
123.04494	3.5
125.02412	12.0
127.07634	10.8
137.02438	4.1
145.08699	7.6
149.02499	2.0
151.03972	3.7
161.06090	3.0
179.03476	3.7
187.03998	3.8
188.04765	2.2
194.73965	1.6
203.07121	9.8
205.05080	4.0
245.08163	13.8
289.07187	56.0
307.13983	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	597.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.80599	2.4
69.29456	2.3
71.01375	14.5
73.02943	6.0
85.02931	3.4
89.02440	11.9
96.91096	2.6
101.02430	16.9
113.02438	12.2
116.92850	6.2
139.19960	3.4
149.01262	3.1
162.21548	2.6
231.13889	14.9
344.42816	3.0
364.52966	3.3
477.24954	10.8
495.25906	55.7
537.27136	13.0
597.27448	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	597.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31521	0.5
53.76340	0.5
59.01387	100.0
61.98838	0.9
116.92860	1.2
117.30705	0.5
127.29632	0.5
254.56023	0.6
265.68942	0.8
375.21741	2.2
597.20172	0.7
597.29279	2.5
598.26215	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	597.3052
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
51.56926	0.6
55.80046	0.5
67.02985	0.6
78.95908	25.7
79.15541	0.6
80.85658	0.6
86.88139	0.6
96.96960	5.0
98.88085	0.8
152.99586	76.8
153.90536	0.7
171.00610	3.9
186.50458	0.8
223.00107	7.9
241.01207	22.6
259.02353	1.4
281.24869	96.0
315.04852	5.8
333.05676	0.8
597.30518	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	597.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87625	1.0
51.62615	1.0
51.81237	1.2
58.97862	1.3
59.01380	7.3
60.99315	12.0
61.45599	1.2
63.60564	1.2
66.37634	1.3
71.14919	1.0
78.22822	1.3
87.81207	1.3
88.00394	1.9
88.98807	100.0
89.02451	19.9
109.02922	11.1
121.02924	6.9
122.03721	2.7
123.04568	9.2
125.02438	1.6
137.02455	5.4
149.02519	4.6
151.03999	2.9
163.03966	1.8
165.01938	6.7
165.05569	1.6
177.05487	1.5
187.04056	2.8
189.09222	1.9
191.03464	1.4
203.07173	7.7
205.05064	9.0
247.05946	1.3
249.41307	1.7
271.09732	6.6
283.09717	11.5
285.11237	1.7
307.09778	2.1
311.09271	2.6
387.81152	1.4
391.15540	2.4
411.77707	1.3
435.14545	61.3
585.83588	1.3
597.20154	9.5
597.28381	1.4
599.45587	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	598.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45097	0.4
59.01385	5.4
61.98836	100.0
64.86514	0.4
71.23573	0.4
72.46967	0.4
83.01389	5.2
116.92887	2.0
122.02569	0.5
137.02449	0.9
137.06111	0.9
147.04588	0.6
151.04002	2.4
177.14619	0.5
207.06767	0.5
221.08255	1.0
243.21378	0.6
311.36493	0.5
358.10550	6.0
373.12918	20.3
432.53882	0.5
438.30292	0.5
535.18231	17.8
535.25812	0.9
538.27209	0.6
598.22882	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	598.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30850	0.3
58.76455	0.4
59.01383	2.6
60.08503	0.4
61.98836	100.0
63.48330	0.4
66.76656	0.4
69.37799	0.5
71.01394	0.6
83.01395	3.3
88.56744	0.6
101.02444	0.8
123.04549	0.5
125.58571	0.5
129.13892	0.5
137.02510	0.5
137.06099	0.6
151.04065	1.9
213.06361	0.5
220.83180	0.5
270.61502	0.5
358.10770	3.3
373.12921	16.5
401.57291	0.8
535.18311	13.8
598.31842	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	598.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39922	1.5
56.69922	1.4
59.01386	18.4
59.35451	1.3
61.98839	100.0
76.99474	1.5
77.31837	1.6
85.74179	1.7
89.67307	1.5
102.00116	1.4
162.16046	1.7
527.29456	1.7
543.46527	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	598.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.3
60.01715	4.7
61.01811	4.7
61.98837	100.0
62.31540	1.1
73.58109	1.2
79.43141	1.1
92.19399	1.6
122.11245	1.4
129.10516	1.2
183.54112	1.2
213.21440	1.8
357.49426	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	598.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19754	0.6
59.01382	1.0
59.87934	0.7
61.98836	100.0
196.27676	0.7
260.66876	0.7
301.93146	0.8
433.28101	0.8
538.28900	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	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06253	2.1
58.02976	3.6
58.64632	1.7
59.01382	3.5
65.18291	2.1
66.56998	2.0
74.02466	19.9
77.82922	2.2
83.47806	2.1
86.02499	4.7
86.99069	2.1
92.19468	2.2
95.01929	2.3
95.60531	2.5
99.05636	17.6
101.07185	2.8
109.06847	2.2
127.05148	2.4
128.03539	64.4
135.05632	2.7
143.03506	3.9
143.04623	100.0
145.06192	3.9
146.04582	12.2
153.06686	8.3
158.68860	2.1
160.00732	25.3
166.09863	4.4
167.04639	4.6
167.08250	3.8
177.03430	2.9
179.04645	25.1
181.06186	2.4
185.05762	2.5
192.07758	2.4
209.44136	1.9
210.08884	22.1
219.05852	1.9
242.07913	2.0
254.07832	15.8
272.08905	18.8
288.06433	2.9
299.29446	2.7
302.54327	2.0
306.07675	96.4
598.28156	75.3
606.38135	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	598.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16278	0.7
59.01384	5.6
61.98836	100.0
77.35778	0.8
117.05530	1.0
118.05855	0.9
146.09850	0.8
147.04480	2.1
148.04871	0.9
155.03549	0.8
171.59985	0.9
179.19727	0.9
226.84715	1.2
288.11142	0.9
483.03391	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	599.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90832	0.5
53.27930	0.4
53.97670	0.5
59.01388	7.9
71.01380	6.9
73.02934	0.6
82.88512	0.5
84.04102	0.6
87.00871	0.7
89.02441	1.0
101.02477	0.7
109.02929	0.7
115.00368	5.8
118.02844	0.6
119.05015	25.4
121.02952	1.0
123.04456	0.7
125.02406	4.2
133.01398	0.8
135.72777	0.6
137.02516	0.9
139.04062	0.8
150.03188	3.4
151.03943	1.1
163.04015	100.0
165.05536	7.5
169.08702	0.6
193.01395	0.7
195.06644	2.2
205.04993	0.6
209.04576	1.0
213.07695	2.5
213.11200	0.9
245.08078	0.8
249.04001	0.7
279.05151	12.5
289.07306	0.8
314.11652	1.3
329.13898	3.9
377.16089	7.8
510.89197	0.7
515.78473	0.7
599.16559	3.2
599.26947	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	599.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48573	3.4
54.39617	3.2
59.01381	5.0
65.00341	6.6
90.73911	3.5
93.03455	17.8
93.18226	3.5
98.76456	3.7
98.88863	4.0
107.92858	4.2
121.02955	15.2
123.04536	4.8
137.02451	18.9
189.84018	3.6
219.02895	5.3
289.07071	6.0
296.06851	8.8
306.05109	4.5
320.06839	25.3
321.07678	41.9
322.04849	34.8
323.05658	3.9
328.05936	5.3
333.07727	6.3
335.09161	5.1
337.07224	47.3
344.06799	4.4
345.07211	4.7
347.05585	6.7
361.07199	5.7
362.04221	23.7
364.06042	5.4
373.07343	5.4
374.04297	5.8
378.07623	7.2
379.08029	5.8
388.05847	5.6
389.02219	4.0
389.06805	81.0
396.05042	7.7
401.06625	26.0
404.05011	6.5
406.07022	22.1
414.03879	5.1
415.04559	18.8
417.06125	82.9
421.09116	29.2
428.05569	4.9
429.06085	42.4
434.06335	7.3
445.05295	4.1
447.07269	88.6
449.08765	83.7
459.07101	4.7
461.08771	14.7
462.37851	4.1
465.08188	6.9
477.08301	100.0
479.09976	36.2
493.09653	4.8
505.07782	23.9
599.11908	95.9
599.22577	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.32991	0.7
60.36499	0.7
61.02866	0.7
61.98829	1.7
63.48756	0.6
65.00332	2.7
93.03450	1.1
97.02950	1.4
113.79285	0.7
117.03461	3.8
121.02951	1.0
124.01637	3.7
139.04005	5.1
145.98457	0.8
152.01146	3.1
164.01138	4.4
165.01932	14.9
166.02736	0.8
167.03490	29.3
178.99841	1.0
179.03525	0.8
183.02991	1.1
195.02971	1.6
226.02736	8.4
227.03496	1.6
241.05000	5.1
253.01405	7.9
265.04968	1.3
268.03485	0.9
283.06116	4.2
289.07263	0.9
309.03821	0.8
343.06137	8.3
364.05972	0.7
371.05591	27.5
375.08862	2.8
387.05023	1.7
388.05893	3.2
389.06500	6.7
399.05447	1.3
401.06778	7.4
403.08258	100.0
419.07748	3.5
431.07727	2.8
433.09171	7.3
571.12665	1.3
599.11810	4.2
599.22644	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	599.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34256	0.7
65.00335	18.7
68.06264	0.9
78.32947	0.7
84.26162	0.8
86.66162	0.7
89.00338	5.5
91.01889	2.8
92.19454	1.6
97.02956	15.5
118.42558	0.8
121.02940	9.7
125.79044	0.8
149.99609	7.2
162.79510	0.8
165.01923	100.0
179.84770	0.8
183.03026	1.5
198.03209	1.9
222.28795	0.8
225.01843	0.8
242.01898	0.8
257.04547	16.9
342.05338	4.8
343.06009	1.7
357.07620	6.7
374.04169	3.0
374.08051	3.6
389.10220	4.0
401.06772	5.9
433.09332	50.3
599.22052	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	599.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75635	2.0
58.16845	1.8
59.01371	2.0
65.00317	3.8
72.99287	2.3
81.66936	2.0
84.22196	1.8
92.20126	4.1
96.36204	2.1
153.37692	2.5
169.93091	2.0
178.50645	2.1
184.44392	1.9
207.42390	2.2
235.40260	2.1
249.87137	2.2
306.05075	2.3
320.07001	5.1
322.04822	29.8
337.07190	27.9
360.05914	2.2
361.07056	4.6
362.04431	28.1
364.05762	2.6
389.06851	2.4
396.04868	2.6
404.05276	4.2
415.04642	9.4
447.07257	100.0
526.71246	3.1
599.23071	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	599.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.7
59.28743	0.5
62.33270	0.5
71.01378	11.2
73.02927	0.7
74.02470	5.3
88.98820	0.9
91.74647	0.4
95.42427	0.5
95.57285	0.5
115.00372	5.1
116.03524	2.4
116.05047	0.8
117.03456	2.4
118.00311	0.5
121.02949	0.6
130.43582	0.5
133.01459	5.4
134.03745	30.7
149.06075	10.5
178.02684	4.5
193.05066	100.0
203.08282	8.4
222.96381	0.6
245.09322	11.3
309.06195	14.2
522.22137	0.6
539.28217	0.9
599.15613	1.1
599.24109	0.8
628.00543	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	599.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19922	0.2
51.66124	0.2
55.39937	0.2
56.27615	0.2
58.12850	0.2
58.88473	0.2
68.13763	0.2
71.01369	0.3
93.03452	31.9
134.50067	0.3
137.02441	100.0
216.78839	0.3
289.07449	0.3
299.07755	12.0
390.64594	0.3
453.86139	0.2
462.16272	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	599.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92322	0.2
64.33741	0.2
68.93195	0.2
82.58540	0.2
93.03453	30.3
97.75860	0.2
136.33672	0.2
137.02446	100.0
148.30830	0.2
299.07751	12.9
418.42764	0.3
526.10345	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	599.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75645	1.8
57.03449	2.0
59.01382	9.4
65.65389	1.8
74.02534	1.8
75.00887	16.0
97.02973	2.9
109.02956	41.4
123.04523	21.2
125.02441	15.8
130.55707	1.9
135.04532	100.0
137.02449	27.3
139.04034	12.3
149.02452	25.3
151.04016	22.4
159.04434	2.4
161.02475	9.1
161.06105	9.9
163.00395	11.8
163.04021	3.4
164.01143	3.5
165.01935	12.0
167.03487	2.3
169.29584	2.3
170.70654	1.8
175.04056	2.4
177.01939	4.1
177.14581	1.9
178.02687	2.2
179.03513	17.4
187.03981	3.0
188.04677	3.6
191.03529	11.5
193.01389	2.4
193.05194	3.0
197.06364	2.3
197.11798	4.2
203.07191	20.0
205.01425	10.3
205.05043	23.9
207.37036	2.1
213.05556	2.8
215.07199	23.6
233.00928	4.7
235.02530	2.6
245.08199	31.8
257.08197	4.3
285.07736	4.7
289.07202	55.8
301.07233	46.4
315.08685	3.6
326.13974	2.4
357.06204	56.8
437.12402	33.7
447.13101	2.7
599.17633	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2272
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
54.88461	2.6
57.64987	2.8
59.01391	12.1
59.51616	2.9
69.80338	3.4
71.42020	2.9
75.85015	2.9
104.27605	3.7
121.02938	21.8
132.83173	4.0
132.85574	3.7
141.97061	3.7
369.74991	3.4
397.33432	3.4
599.22662	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	599.2292
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
50.03122	0.5
79.29669	0.6
80.08996	0.5
82.37293	0.5
89.02354	0.6
92.19349	0.6
100.10301	0.6
109.02913	0.8
117.84513	0.6
123.04546	1.2
127.67632	0.6
135.55838	0.7
136.72879	0.6
143.21025	0.7
151.00284	0.9
151.04007	1.4
162.75952	0.6
165.01924	3.5
183.04366	0.7
199.03993	1.1
201.33437	0.7
227.03500	4.3
230.09526	0.7
239.03526	0.9
247.57628	1.0
257.04636	0.9
271.06137	1.4
321.07648	0.9
323.05569	3.1
337.10754	5.5
338.11499	4.5
349.10703	2.7
350.11490	1.2
365.06778	1.1
367.19107	4.2
369.16968	1.4
375.08725	2.7
403.08081	3.0
405.13470	3.2
419.18707	1.3
420.19427	0.8
433.16443	1.2
435.18161	9.2
447.18134	23.5
448.19046	4.6
449.19635	4.5
461.19635	3.8
474.16516	0.8
475.17545	9.0
477.19165	12.0
489.19165	4.2
581.11804	1.2
581.21466	2.7
599.22833	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	599.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46971	0.5
57.26258	0.6
74.06712	0.6
89.80169	0.7
92.19337	0.7
94.38768	0.7
109.02911	1.2
123.04538	1.4
132.92137	0.7
151.03960	1.4
165.01958	0.9
180.46698	0.7
190.31419	0.6
194.09845	0.8
226.19081	0.8
233.04819	0.8
275.05484	0.7
308.03140	1.1
321.07642	5.0
323.05554	9.3
323.09152	2.1
324.75931	0.8
337.10934	6.9
338.11536	4.1
347.05917	1.0
363.08466	1.3
365.06729	3.7
367.19031	4.3
389.06644	0.9
405.13364	3.4
433.16397	1.5
435.18332	8.9
447.18198	27.9
448.18762	5.2
449.19858	5.9
461.19531	4.5
463.06650	1.4
474.16846	0.9
475.17645	9.1
477.19263	14.2
489.19211	4.1
581.11371	1.4
599.12280	6.3
599.22876	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	599.2292
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
53.31511	0.9
55.16311	1.0
56.83192	0.9
58.49168	0.9
59.01366	1.7
61.98824	1.2
62.43855	1.1
64.02720	1.2
64.10738	1.0
73.74292	1.0
83.01378	1.5
91.16322	1.1
97.02962	1.4
109.02957	11.6
123.04482	6.8
125.02399	6.7
137.02411	4.9
139.03992	2.8
149.02409	1.6
151.03960	6.9
161.02397	2.3
165.01910	8.0
167.03487	1.7
179.03435	1.7
201.09128	1.3
203.07054	2.6
205.04947	6.7
217.07385	1.1
221.08133	1.5
245.08112	6.8
255.07625	2.1
265.09726	1.8
266.10544	11.5
267.02811	1.5
268.08414	2.1
269.09335	7.7
270.10095	2.1
271.05978	5.9
284.11844	8.3
289.07181	16.3
297.14825	1.3
298.08395	4.6
299.09399	2.1
307.05536	1.2
309.14935	1.6
311.09464	1.4
312.09869	2.5
314.08981	1.8
325.17856	8.2
327.15829	1.6
349.18048	5.2
351.15982	4.1
371.05511	2.5
372.13391	5.1
386.14999	1.7
387.15689	1.9
389.06781	1.7
403.08231	11.8
427.04395	5.9
433.08969	1.3
435.18069	14.8
447.18097	7.1
459.07126	4.2
463.14383	1.4
472.60135	1.4
475.17395	2.4
478.20001	11.0
549.08124	1.7
581.10974	14.9
599.23010	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	599.2299
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
50.03181	1.0
59.01385	16.5
63.34200	1.1
71.01371	2.3
78.81475	1.2
101.02431	1.9
109.02950	11.9
115.07644	20.1
121.02969	9.7
123.04493	7.7
123.08151	1.8
125.02446	14.5
133.06548	2.1
137.02432	8.0
139.03966	1.6
149.02420	2.5
151.03972	8.2
161.02415	3.1
165.01929	7.3
167.07074	1.4
167.87378	1.2
179.03470	5.5
180.84157	1.3
187.04001	1.8
188.04787	1.4
188.44836	1.3
201.09180	2.7
203.07129	3.0
205.04994	8.2
221.08090	2.1
231.02979	2.0
232.34038	1.3
245.08069	8.1
247.06126	3.0
269.11734	1.6
271.06110	6.8
289.07202	17.6
298.08377	2.8
305.13995	5.9
312.10010	2.2
325.18121	7.8
327.15942	2.1
349.18021	5.5
351.15988	5.4
365.16208	2.7
433.16885	1.5
435.18240	16.0
475.17331	2.8
539.28900	11.6
555.85120	1.7
599.22852	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	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00317	0.9
59.01387	9.0
60.99319	11.8
68.46833	0.9
71.01374	1.5
71.24541	1.0
87.00851	1.0
88.98808	100.0
89.02424	1.6
115.73870	1.0
124.35886	1.0
137.02519	1.4
150.03270	1.1
165.05577	4.8
221.00545	0.9
281.15222	1.2
299.16425	1.7
329.17700	7.8
341.06631	2.2
342.26617	1.1
347.18719	15.4
378.85648	1.0
509.23865	20.4
581.14667	1.5
599.24042	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	599.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51361	0.6
56.08311	0.7
57.03455	10.4
58.00592	3.8
59.01387	18.9
61.94569	0.6
71.01383	4.0
73.02940	3.8
80.34143	0.7
82.50787	0.7
83.01378	3.2
85.02940	1.0
87.00868	3.0
88.98813	1.1
89.02467	0.8
94.48543	0.6
101.02467	7.9
109.02935	1.4
111.73125	0.7
113.02439	2.8
121.03038	0.9
121.04086	0.7
121.06598	14.7
123.04501	3.3
135.04492	1.4
135.11823	1.6
137.02371	0.9
137.09700	10.7
145.02916	3.2
145.06592	1.0
147.04485	1.5
149.02467	3.3
150.03227	34.1
151.03984	4.1
161.09737	10.1
162.03214	4.9
163.04007	3.3
163.07652	37.2
164.04796	9.4
165.05571	91.1
177.05634	1.0
179.10799	1.4
180.04265	5.1
181.08742	7.1
193.05090	1.0
195.06627	36.2
197.11855	1.7
205.08852	0.8
223.09842	1.8
289.07251	3.3
298.61942	0.7
369.12045	4.7
437.12665	3.1
496.01825	0.9
539.28589	1.8
551.21344	3.1
558.76477	0.9
581.22510	9.6
599.23639	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	599.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33000	0.9
58.32910	0.9
59.01101	1.8
59.01385	42.5
71.01385	1.5
74.47489	0.8
75.64148	0.9
80.93800	0.8
119.05021	5.4
121.02902	1.3
125.02451	1.9
146.40558	0.9
149.02434	11.7
150.03227	5.8
163.04001	21.5
164.04788	19.3
165.05563	27.6
167.03369	0.9
167.07234	1.0
177.01949	2.1
180.04250	1.8
181.08646	1.1
183.63936	0.9
195.06665	8.5
208.29932	1.1
279.05148	3.9
283.09976	1.5
314.11624	43.4
329.13968	95.0
377.16083	100.0
522.93579	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	599.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86715	12.9
73.18529	13.1
75.61131	13.8
82.80860	13.1
101.03991	13.3
114.93828	14.1
118.49304	13.1
141.71150	17.2
184.07874	13.7
227.10753	100.0
288.69522	14.8
297.69778	14.5
314.58875	14.9
326.14035	22.1
400.17654	29.0
477.36584	14.5
492.27878	21.1
502.48792	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44508	1.9
59.01108	2.7
59.01387	66.2
61.50252	1.9
61.98827	2.4
62.03726	2.0
71.01370	8.5
81.03464	2.2
83.01389	3.6
87.79947	2.0
88.98801	7.9
89.02451	7.5
97.02914	6.9
97.39512	2.1
99.04512	4.1
101.02444	3.2
109.02930	4.9
111.04581	2.4
112.88350	2.1
113.02480	3.4
116.92865	16.6
121.02940	8.0
122.03747	3.9
123.04522	31.5
125.02423	7.5
137.02454	8.9
139.04041	3.8
149.02451	11.9
151.04031	4.7
153.09212	7.2
161.02423	3.7
161.06024	2.2
163.03976	3.2
164.01138	3.2
165.01920	13.1
171.10297	3.9
203.07048	4.8
204.04248	3.4
205.05035	13.7
211.64841	2.2
243.13670	2.3
247.06126	4.5
374.49533	2.1
391.21097	2.7
393.26440	3.0
447.24112	3.2
479.26340	8.4
511.25455	20.5
539.28516	15.8
581.26801	3.5
599.28900	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	599.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.5
59.01384	51.7
70.04671	2.0
71.01378	43.7
73.02956	21.4
83.01395	3.7
85.02943	14.7
87.00903	2.2
89.02444	51.0
92.19384	5.1
96.68739	2.2
99.00856	3.3
101.02437	50.3
103.01835	2.4
109.02915	3.4
113.02445	24.8
115.23831	1.9
116.92854	13.1
119.03479	13.8
123.04440	3.0
125.02397	5.2
127.93958	2.2
131.61766	2.1
137.02463	3.7
143.03496	4.9
161.02522	3.0
161.04559	13.2
165.01907	2.3
179.05624	30.5
181.08743	2.5
221.00835	2.2
221.06693	8.9
330.75369	3.0
539.25012	100.0
555.20465	3.6
581.18811	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	599.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16212	1.3
56.72562	1.2
57.03451	2.4
59.01398	19.7
61.98801	1.5
69.03447	1.8
69.41499	1.3
71.01373	9.0
73.02943	3.0
74.48634	1.4
82.55258	1.4
83.05048	2.6
85.02945	2.4
86.14245	1.5
89.02460	5.8
101.02440	7.3
107.01304	1.3
111.08238	1.5
113.02438	8.1
119.03487	2.1
121.02952	16.8
125.02437	2.9
137.02452	1.5
137.09729	41.8
155.10783	65.8
163.07571	1.7
166.06343	43.6
181.08714	46.2
199.09671	2.8
309.34268	1.5
503.22516	1.3
539.28735	5.0
563.25140	10.2
599.12811	2.6
599.27246	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	599.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64124	1.2
53.80120	1.1
59.01385	100.0
59.01688	3.3
61.98842	2.5
61.99453	1.4
71.01385	23.7
73.02981	1.8
74.23615	1.4
75.00877	1.9
83.01389	3.1
85.02945	6.7
87.00890	2.0
89.02441	25.2
92.20073	2.5
101.02453	19.5
106.06614	2.0
109.02916	2.0
113.02446	16.4
116.92876	11.5
119.03471	12.2
121.02953	3.6
121.47403	1.5
122.03757	3.5
123.04553	3.2
125.02419	17.1
128.95984	1.6
135.08188	2.8
137.02426	10.3
143.03476	1.4
149.02441	2.7
151.04074	1.9
161.04622	4.9
161.06024	2.1
164.01173	2.6
165.01912	21.4
167.03534	1.8
179.03477	2.0
179.05606	8.7
203.07153	1.9
205.05037	3.1
219.55449	1.5
255.11226	2.2
278.03278	1.5
299.10431	3.5
306.70328	1.6
403.59665	1.5
479.26480	75.8
539.28827	20.9
555.20459	1.7
581.24017	2.3
599.28839	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	599.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78368	3.7
57.30256	4.3
62.81513	3.9
62.91913	3.9
70.32978	4.5
75.47866	4.8
76.78983	4.4
112.94829	4.7
128.24684	4.7
133.78134	4.9
143.01170	5.0
152.99535	21.9
184.98734	4.8
231.10243	27.0
236.32433	5.6
241.01088	6.0
261.98386	5.2
268.54080	5.2
279.20966	5.6
283.26523	31.4
313.14417	5.8
328.16833	100.0
445.98157	5.2
599.32178	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	599.3162
Annotation	Mooniine A
Peak:m/z	Relative Intensity
51.45731	2.5
59.01382	4.4
62.88535	3.4
75.76945	2.7
92.60571	3.0
101.63788	2.9
146.81941	3.7
204.63480	3.8
599.22998	7.4
599.31531	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	599.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50793	0.4
59.01105	0.6
59.01384	12.7
71.01378	2.4
73.02933	0.4
89.02451	3.3
93.56995	0.4
100.60010	0.4
101.02432	3.8
113.02462	1.5
119.03474	0.7
143.50655	0.4
161.04565	0.9
228.61673	0.4
235.08211	0.6
253.09259	10.5
259.24271	1.8
303.23297	100.0
383.18549	0.4
539.32263	1.7
586.31317	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	600.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71427	1.6
54.58878	1.6
64.92521	1.8
102.14626	2.1
129.10312	19.2
137.05086	1.8
140.07225	12.0
207.15050	13.8
224.17749	7.6
225.16176	8.1
242.18782	9.3
294.25613	2.5
337.26144	65.3
355.27136	31.0
376.37625	1.8
380.05527	2.0
423.32962	1.9
519.15454	2.0
564.41431	89.9
565.72888	2.0
600.31787	7.8
600.39301	100.0
628.07544	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	601.1358
Annotation	8,8'-Paepalantine dimer
Peak:m/z	Relative Intensity
59.38540	1.9
74.81843	2.8
78.18074	2.3
93.03450	4.4
97.02956	3.1
97.41098	2.9
99.34056	2.4
109.02945	12.7
118.50260	2.4
121.02966	34.8
123.04514	3.6
123.39062	2.6
134.03738	4.4
135.04434	3.2
137.02415	6.0
139.04019	21.0
139.04956	2.8
149.02393	8.2
151.00357	4.0
151.04028	9.5
153.01877	4.2
163.00360	13.4
164.01086	3.4
165.01938	92.5
167.03386	2.9
178.02707	4.3
179.03519	10.5
193.01385	11.3
197.04292	2.5
237.49968	3.5
243.02950	4.4
245.04601	3.1
257.04456	4.2
267.06702	3.6
269.00922	2.7
269.04251	2.4
271.02359	3.4
271.06024	14.5
273.07748	4.6
281.04587	3.4
283.02457	12.7
285.04144	19.7
287.05743	3.7
296.03101	3.5
297.00378	3.1
297.03955	5.0
299.02316	3.1
299.05658	5.3
300.02756	15.2
301.03558	3.9
301.07077	3.8
312.02802	22.6
313.07089	8.4
315.01764	4.2
315.05118	54.9
317.06937	3.2
329.06680	26.6
331.08298	4.8
344.57486	2.6
360.06329	3.6
373.07031	3.3
375.08795	4.5
401.06592	4.9
419.03760	3.9
451.10297	3.3
465.11819	15.7
467.09793	55.7
479.11337	3.0
491.09589	2.7
569.10931	54.5
601.13654	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	601.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40705	0.5
74.81516	0.6
78.95907	45.6
91.72988	0.6
96.96070	6.0
96.96957	100.0
138.98068	5.9
168.95995	0.6
168.98984	1.0
199.00143	2.5
241.01193	1.4
259.02237	55.7
331.76282	0.7
337.39731	0.8
601.14166	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	601.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14704	1.4
59.01371	1.9
63.59989	1.3
95.01403	2.2
97.02930	3.6
98.12973	1.5
109.02963	29.0
121.02953	6.3
122.03732	16.4
123.04538	11.7
124.55984	2.0
125.02433	22.2
135.04553	3.7
137.02449	30.8
139.04016	3.9
149.02412	6.9
150.03140	1.6
151.03979	13.3
159.04526	2.7
161.06099	6.4
162.03340	1.6
163.99887	1.5
164.01053	11.0
165.01915	47.6
167.03479	3.6
175.03931	2.1
177.01907	8.3
179.03516	21.1
187.03958	8.3
188.04771	2.8
189.99106	2.0
202.06253	2.5
203.07172	26.2
205.05093	25.7
221.08118	3.1
223.02563	13.7
227.07082	2.1
231.03113	2.3
245.04338	2.0
245.08179	26.1
247.06075	2.8
271.06094	2.4
283.02625	1.8
288.06335	1.9
289.07193	100.0
315.05118	7.2
391.71750	1.5
431.30356	1.6
539.20453	2.4
557.21881	29.1
601.13153	19.7
601.22174	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26407	2.1
59.01378	4.0
79.76759	2.4
83.01379	3.7
92.19447	3.1
95.05013	3.3
97.02942	10.3
99.04528	4.1
109.02937	26.4
116.92889	2.6
121.02957	26.6
122.03758	20.1
123.04531	26.3
125.02443	26.1
128.32704	2.4
135.04454	2.8
137.02446	39.8
139.04018	14.0
149.02446	10.9
151.04007	19.1
161.02449	3.5
161.06088	5.2
163.04083	3.9
164.01099	11.3
165.01935	91.3
167.03455	4.0
175.04076	3.2
177.01974	2.7
179.03511	29.6
187.03967	4.8
188.04742	4.6
203.07173	26.8
205.05083	25.0
221.08188	3.8
223.02472	3.9
227.07249	3.8
245.08231	32.1
247.06102	4.8
257.04535	5.2
267.03323	2.9
269.04556	9.3
271.06161	9.5
273.07617	3.2
277.61581	2.6
282.01721	14.0
283.02469	16.9
285.03918	4.4
289.07199	100.0
297.03983	13.4
298.04813	4.6
299.05756	3.5
300.02847	4.7
312.02563	4.0
315.05145	16.7
329.06686	4.7
447.03439	3.7
467.09775	13.1
509.07474	2.8
557.21930	42.4
569.10870	11.1
601.13159	61.0
601.21338	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28810	1.2
59.01380	14.9
77.96169	1.1
92.19434	2.6
108.35692	1.4
109.02937	5.7
121.02949	100.0
123.04536	2.3
125.02416	6.8
137.02435	2.8
151.04013	1.6
161.68596	1.3
165.01883	2.7
168.37283	1.5
179.03429	2.6
203.07161	5.1
205.05072	2.6
231.02795	1.3
245.08197	6.1
289.07205	16.0
327.19653	10.3
351.19595	2.1
353.17599	5.9
359.15024	1.8
481.18607	1.6
541.20941	1.7
541.30176	1.9
601.24286	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10103	1.0
53.49227	1.1
58.37129	1.2
59.01383	5.2
60.01041	1.2
61.98839	1.5
65.58440	1.1
83.21083	1.1
90.98540	1.1
92.20107	1.7
109.02969	2.2
115.89183	1.4
121.02953	100.0
125.02431	2.9
137.02467	2.1
139.04016	1.9
165.01935	5.9
289.07321	4.5
291.12469	2.3
333.13461	4.9
471.20081	2.7
538.08990	1.7
541.20496	2.8
557.22223	2.7
601.13031	2.3
601.21643	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	601.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14893	1.1
54.04650	1.1
59.01383	25.1
61.98837	7.1
71.01368	2.6
73.02946	2.4
81.26662	1.4
96.96024	1.9
97.02954	2.2
100.90085	1.4
101.02430	2.3
109.02952	19.6
109.56810	1.3
113.02400	1.8
116.92793	1.7
121.02956	12.7
123.04514	10.3
125.02429	21.5
135.04457	2.1
137.02484	9.8
139.03970	1.5
149.02432	6.2
151.04015	14.3
161.02405	1.8
161.06096	7.3
163.03972	2.3
165.01915	5.4
166.02751	2.1
167.03554	2.1
179.03510	12.4
187.03996	7.7
188.04771	6.0
203.07141	24.3
205.05067	19.7
217.08685	1.9
221.08336	1.6
227.07213	2.0
231.02988	1.6
245.08212	28.6
247.06197	4.9
289.07187	100.0
315.08682	2.6
392.09598	1.3
395.28174	9.0
481.27509	2.1
541.30151	9.1
601.24261	46.2
601.32233	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	601.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32666	0.9
59.01384	10.4
65.54510	1.2
92.20094	2.1
97.02948	2.4
109.02943	11.4
121.02952	100.0
123.04536	5.3
125.02452	10.8
135.08092	1.5
137.02432	5.8
149.02359	2.1
151.04002	7.7
163.04082	1.3
165.01936	2.0
179.03558	4.6
181.69209	1.2
188.04680	1.3
203.07170	9.7
205.05034	7.9
245.08203	12.7
289.07172	46.5
315.08627	1.4
327.19574	2.6
331.31674	1.3
353.17563	2.4
359.14981	2.3
417.97787	1.4
541.29517	1.5
601.24261	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	601.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26687	0.5
59.01381	2.7
61.98816	0.7
67.54631	0.5
81.03463	1.0
83.01364	1.4
90.99352	0.6
94.45234	0.7
95.04992	1.0
97.02947	4.9
104.61279	0.6
109.02950	20.6
110.55776	0.6
121.02913	4.2
122.03790	1.0
123.04507	8.8
125.02438	17.8
135.04500	2.5
135.08154	1.7
136.87573	0.6
137.02443	8.9
139.04033	1.3
146.03728	0.7
149.02449	7.2
151.04008	11.3
151.07581	0.8
159.04443	1.1
160.05276	0.7
161.02399	1.1
161.06085	7.1
162.03249	1.6
163.03969	3.5
163.07561	0.8
164.01118	2.5
165.01918	6.8
165.05598	0.8
167.03464	3.2
170.21036	0.7
173.06001	0.9
175.03952	1.0
175.07597	0.9
179.03484	11.7
187.04015	6.1
188.04817	6.3
189.09061	1.1
191.03461	1.3
202.06360	3.7
203.07162	21.2
205.05058	19.7
217.08655	1.1
221.08188	4.9
227.07082	3.3
229.08635	1.2
230.05888	1.1
231.02995	1.0
245.08176	25.3
247.06189	3.2
271.06091	1.2
271.09824	1.4
285.14908	1.0
289.07187	100.0
297.08167	0.8
315.08704	3.7
601.24445	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63066	1.2
55.58353	1.4
56.79859	1.5
59.01378	3.2
88.98766	1.7
95.04994	1.7
97.02942	3.6
109.02935	23.7
121.02950	23.7
122.03732	3.6
123.04523	15.0
125.02441	24.0
135.04547	2.0
135.08185	2.2
137.02438	17.8
139.04013	9.7
149.02451	6.0
150.03120	1.9
151.04002	16.2
155.83711	1.6
161.02428	2.1
161.06085	6.3
162.03242	1.8
163.03990	3.7
164.01154	6.1
165.01894	28.5
165.05537	1.5
175.04071	2.6
179.03481	15.5
187.03986	6.1
188.04739	6.4
191.03432	1.7
202.06337	2.7
202.96219	1.4
203.07130	23.4
205.05032	23.0
221.08199	3.3
231.02930	2.6
245.08168	26.2
245.11868	1.6
247.06056	5.4
254.02228	1.8
256.03891	2.0
269.04532	5.7
271.05960	2.4
281.04614	2.0
282.01782	9.5
283.02496	9.8
289.07184	100.0
297.04022	9.8
298.04926	7.9
299.05530	2.7
300.02686	3.2
315.05209	7.1
315.08746	1.6
327.19864	2.1
337.07285	2.0
353.17242	1.9
401.06763	1.9
449.19629	2.5
467.09525	2.9
482.44711	1.7
525.12494	1.9
557.21649	9.4
569.11298	1.8
601.13470	47.6
601.23926	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.3
59.30053	0.7
61.98849	1.3
63.96858	0.7
66.69134	0.6
71.01372	3.3
75.00842	0.8
83.01395	1.7
85.02957	1.5
87.00909	0.8
89.02467	1.2
93.03465	1.0
95.05024	1.4
97.02950	5.3
100.40401	0.9
101.02428	2.9
106.54621	0.8
109.02947	17.8
111.00881	4.0
113.02456	1.5
116.92864	1.3
121.02955	8.5
122.03731	3.9
123.04521	12.4
125.02449	16.8
135.04561	1.7
135.08165	4.7
137.02441	17.7
139.03984	3.4
143.04808	0.7
149.02478	5.7
151.04004	10.2
159.04510	1.4
161.02481	2.7
161.06064	6.5
162.03192	1.3
163.03979	5.6
164.01164	1.5
165.01953	12.9
165.05580	1.1
167.03468	6.7
171.10197	0.8
175.04114	1.3
175.07626	1.1
179.03531	10.9
185.06015	0.9
187.04016	5.4
188.04768	4.9
189.09474	0.8
191.03539	3.1
202.06381	3.0
203.07127	16.2
205.05064	18.7
215.07249	1.0
221.08148	3.4
227.07169	2.6
230.05840	1.0
231.03044	0.9
231.10211	0.9
245.08200	22.8
247.06114	3.4
271.05972	0.8
271.09787	1.2
285.11520	0.9
289.07199	100.0
299.16589	1.4
315.08801	4.3
327.19598	0.9
351.15991	0.8
357.13260	1.4
449.19662	2.7
541.29858	4.1
557.21912	5.1
601.22778	23.3
601.31445	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	601.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38969	1.1
58.89460	1.1
59.01390	1.7
61.98828	1.7
75.42023	1.3
77.94978	1.4
83.01281	1.5
94.55524	1.2
95.04999	1.4
97.02953	5.5
109.02939	22.1
121.02948	23.4
122.03732	5.8
123.04518	16.4
124.60412	1.3
125.02441	22.9
135.08136	2.2
137.02477	17.0
139.04007	8.2
149.02449	8.3
151.03981	14.8
161.02394	2.8
161.06099	7.5
163.00359	1.6
163.03983	5.7
164.01161	6.3
165.01947	30.2
167.03468	1.7
175.03960	5.2
179.03514	17.1
186.06937	1.4
187.03987	6.4
188.04813	6.7
191.03519	2.7
202.06311	2.0
203.07097	18.5
205.05043	21.0
221.08124	2.8
223.02618	1.7
227.07195	3.2
245.08199	24.1
245.11870	1.5
247.06038	5.7
254.02324	1.5
255.02780	1.6
256.03662	1.7
267.02982	1.6
269.04538	6.7
271.06137	1.9
273.07651	1.5
282.01651	12.1
283.02530	5.2
289.07181	100.0
297.04095	10.9
298.04782	5.5
300.02859	4.5
311.12787	1.7
312.03052	1.7
315.05093	7.1
315.08475	3.1
322.04648	1.7
327.19778	2.3
353.17770	2.1
461.08685	2.1
557.22052	12.3
569.11182	2.2
590.09137	1.7
601.13470	44.2
601.23773	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	601.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25112	1.3
59.01392	6.2
62.34859	1.4
79.26583	1.4
92.20104	3.1
97.02965	3.8
103.68165	1.9
109.02959	19.8
121.02927	28.3
123.04545	11.9
125.02456	15.9
135.04538	2.2
137.02481	16.4
139.04042	2.4
149.02452	8.2
151.04013	14.0
161.06104	8.2
163.04024	7.6
165.01903	12.0
167.03513	2.0
175.07632	2.1
179.03531	13.5
187.03984	8.0
188.04770	1.8
191.03397	2.1
202.06607	1.6
203.07161	22.5
205.05098	20.0
221.08339	3.1
227.07132	3.3
231.02982	2.5
245.08211	33.7
247.06114	3.5
271.06256	2.0
284.74496	2.1
289.07187	100.0
315.09055	1.8
327.19638	3.1
327.65445	1.7
557.20685	2.6
601.24646	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52677	85.3
78.83919	73.4
84.02366	79.4
149.87569	85.6
174.26500	80.1
280.67038	85.5
415.57370	86.1
549.61322	93.4
575.07458	93.3
595.06085	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	601.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70231	10.5
59.01384	16.1
59.05694	11.8
64.65565	12.3
86.05669	13.1
121.02946	100.0
165.99486	14.8
177.00406	15.1
211.13370	14.8
305.07550	16.8
407.00125	13.3
441.15192	13.4
496.00424	13.6
625.26489	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	601.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	40.5
61.98825	11.6
69.13787	5.9
69.53587	5.0
97.08646	7.1
121.02931	13.7
122.03747	6.7
125.02398	8.4
129.43745	6.8
137.02429	12.0
161.06123	6.9
165.01915	11.3
211.13466	7.9
237.47105	6.0
289.07089	11.3
405.08862	10.3
435.18228	8.0
437.19901	11.4
449.20212	11.4
477.18881	10.0
479.20038	9.3
526.80090	7.2
564.54840	7.0
601.25275	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	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98169	1.0
57.43301	1.2
61.98821	2.0
66.41173	1.3
70.28529	1.5
75.14807	1.3
80.88443	1.5
83.36314	1.5
93.86295	1.6
97.06572	5.5
104.88660	1.7
125.09711	93.1
136.14601	1.5
139.23863	1.3
147.64395	1.7
157.49193	1.5
169.08679	2.3
175.95316	1.3
187.09758	100.0
193.54414	1.3
216.53836	1.5
261.13452	14.9
415.38309	2.0
431.22891	8.4
601.32367	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	601.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
64.50963	0.3
89.02439	0.4
100.21297	0.3
121.02951	100.0
252.71014	0.3
258.14825	0.4
320.90921	0.4
402.23196	0.4
601.17212	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	601.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82169	1.7
59.01384	11.8
66.62294	1.9
77.20062	1.6
77.75575	1.4
78.04276	1.7
87.55100	1.9
92.19417	3.5
114.69723	1.7
127.79346	1.9
253.09297	7.7
281.65945	1.9
305.24869	100.0
329.18005	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	602.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43394	0.7
51.53531	0.8
59.01382	2.1
61.98834	100.0
90.03472	0.9
97.02951	1.0
99.68495	1.0
109.02937	5.1
117.39763	0.8
121.02946	6.8
122.03300	1.3
123.04462	2.1
125.02421	4.5
137.02470	3.1
139.03957	1.9
149.02444	1.4
151.04019	1.5
165.01950	1.1
179.03500	2.0
180.03848	1.0
188.04645	1.1
191.03635	1.2
203.07108	2.1
204.07468	1.2
205.05124	1.4
223.84140	0.9
245.08295	2.1
246.08505	1.4
289.07245	10.8
290.07474	10.5
335.24008	0.8
345.07944	1.0
370.55933	0.9
393.38437	0.9
464.40128	0.9
530.60406	1.0
542.29150	1.3
602.25104	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	602.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26873	6.4
59.01382	100.0
61.98836	55.0
68.15787	7.4
72.13290	6.9
89.02434	6.8
109.02944	7.3
121.02931	29.8
191.76952	6.8
238.83965	7.4
392.01178	7.3
542.30499	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94939	0.7
52.91855	0.7
54.18190	0.6
57.21197	0.8
58.75037	0.9
59.01386	19.3
70.83656	0.8
74.62642	0.8
78.26730	0.8
78.95907	14.8
87.00893	1.0
88.00423	1.0
117.48724	0.9
123.73550	0.8
152.99608	5.4
164.31201	0.8
168.04327	6.6
224.06929	12.5
242.07985	3.6
259.24316	3.7
303.23297	70.3
435.41733	0.9
528.30969	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	602.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.1
59.01386	21.9
59.47308	0.7
69.59599	0.7
71.01386	1.5
78.95914	3.9
87.26334	0.6
89.02438	1.5
90.01516	0.6
93.06114	0.6
93.27382	0.7
129.83273	0.6
150.66254	0.6
152.99538	1.5
155.31299	0.7
168.04292	3.2
172.18311	0.7
192.20764	0.7
224.06947	1.6
242.07982	3.2
259.24301	2.9
260.80499	0.7
269.82620	0.7
277.21841	1.2
278.21896	1.2
303.23306	100.0
341.10745	1.0
388.04617	0.7
413.33044	0.7
528.30975	84.2
602.33673	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	603.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.4
58.22540	2.5
66.73930	2.2
68.25650	2.2
69.26823	2.1
69.77067	1.9
70.39017	2.6
80.36038	2.1
83.35649	2.2
98.34730	2.2
100.32798	2.3
109.02940	2.9
109.36385	2.3
120.09123	2.4
121.02959	11.6
122.70557	1.9
125.02448	100.0
137.02426	5.2
140.92722	2.3
151.03979	3.9
152.67729	2.4
157.52533	2.3
158.79260	2.2
161.02438	26.8
164.01161	9.1
165.01907	36.8
167.03493	3.7
184.09488	2.1
186.78201	2.6
193.01389	2.6
196.38931	2.6
227.03647	3.1
245.08232	2.4
255.03061	11.4
257.04593	4.7
269.00836	2.7
281.04807	2.4
283.02457	9.9
287.05542	13.0
298.01208	2.9
299.05511	3.2
300.02753	3.2
313.03580	3.3
315.05109	45.0
320.43076	2.3
322.07846	2.9
329.20593	2.5
331.04688	3.6
380.06866	2.6
409.08887	2.9
441.19073	3.4
451.06625	10.6
477.08130	4.6
481.96747	2.7
510.45355	2.4
513.66052	2.4
519.08862	2.6
559.12683	11.8
575.58484	2.3
603.01813	4.7
603.11517	94.2
627.58118	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	603.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21507	1.4
55.22941	1.3
57.23767	1.6
60.21854	1.3
77.01614	1.4
92.19419	2.2
109.02934	14.2
121.35557	1.5
125.02444	14.6
135.04520	3.2
137.02449	52.0
153.01912	2.4
163.00381	1.9
164.01149	24.1
165.01930	56.3
177.01848	1.7
183.02887	1.6
190.99800	6.6
193.01414	7.0
207.02979	3.5
210.99864	1.7
229.05110	2.5
242.02184	2.2
244.79926	1.9
253.05011	6.0
257.04544	12.9
259.05902	1.9
269.00952	7.0
271.02914	2.3
271.06171	13.9
282.01682	6.4
283.02545	6.4
287.05453	3.1
309.07764	3.4
315.05133	49.3
316.02255	9.5
321.04062	3.9
331.04630	43.6
353.06873	3.5
387.54803	1.7
393.09839	2.6
446.06119	1.7
455.47742	1.8
467.06189	12.0
477.08212	1.9
519.09167	3.0
548.91333	1.8
558.51556	1.6
559.12646	24.0
585.11084	4.8
603.11554	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	603.115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82747	1.5
61.98830	7.1
65.00305	2.2
65.02867	1.4
70.00835	1.4
82.66948	1.4
89.51629	1.3
93.58947	1.3
93.72794	1.4
97.02972	2.3
106.07475	1.5
109.02950	85.2
121.02949	3.1
123.73129	1.5
125.02444	3.2
134.03705	1.6
137.02441	8.0
149.99649	1.5
151.03973	2.5
153.01933	82.0
153.05556	1.8
163.00333	3.0
164.01163	21.6
165.01923	100.0
166.02643	1.8
167.03505	17.4
177.04413	1.7
178.99823	7.2
183.03049	3.5
190.99893	1.8
193.01414	8.9
195.02959	2.3
206.99429	2.1
221.00877	13.4
222.01668	2.6
242.02322	2.2
255.03023	2.7
257.04596	8.5
259.06100	5.7
269.00842	18.1
270.01633	2.4
271.02487	7.4
271.06119	12.7
282.01617	6.6
283.02362	7.0
285.03998	3.1
287.05655	1.8
303.05252	3.1
313.03647	3.4
331.04599	46.1
344.61450	2.0
437.08826	2.5
465.08066	6.6
493.08163	2.4
517.88867	1.9
571.08698	2.5
575.12585	2.2
603.11591	38.7
603.22296	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	603.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46895	2.4
54.71551	2.4
57.03449	2.5
70.79311	3.0
106.13245	2.9
109.02946	2.8
125.02428	51.6
149.02423	4.5
151.03964	16.0
161.02448	17.7
165.01915	6.1
173.56219	2.8
175.03981	15.3
177.01947	30.2
189.02005	6.1
200.96980	2.9
203.03571	10.3
213.98802	2.8
214.02713	3.3
215.03441	4.6
219.02969	3.9
224.18607	2.5
227.03462	10.8
227.07031	3.6
229.05026	38.6
231.02963	71.8
241.05043	2.5
245.04581	15.3
247.06171	6.5
255.02933	12.6
256.03763	4.4
269.04581	11.2
270.05869	3.4
271.06094	43.8
273.04150	11.5
296.03241	3.3
297.04068	73.7
303.06851	2.6
315.05072	23.8
323.05624	18.1
345.07352	2.7
347.05624	12.7
386.26953	3.7
389.06625	14.1
433.05634	13.9
435.07108	4.1
451.06790	75.0
477.08212	12.4
540.95380	2.9
603.11554	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	603.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50777	2.7
59.01381	17.8
64.01231	2.4
71.21406	2.4
86.30067	2.6
92.20058	4.6
96.96033	22.2
109.02933	14.1
111.04508	4.1
121.02948	100.0
123.04505	10.5
123.31401	2.9
125.02442	13.2
137.02432	6.6
139.04031	11.8
140.01160	14.1
151.04050	6.5
153.01988	10.0
155.03494	12.3
161.02438	32.8
163.00388	6.0
164.01221	10.6
165.01883	15.1
167.03488	4.6
177.01868	5.0
179.03586	9.7
227.03517	3.1
257.04523	12.5
258.01608	14.3
260.91788	2.7
269.01111	3.6
269.04468	4.7
270.01831	5.1
271.02472	5.0
272.03372	4.7
273.04089	20.4
273.06763	2.8
280.53757	3.1
285.04224	21.8
285.07095	3.5
286.04810	3.6
296.02826	2.9
298.00879	3.0
299.01941	4.6
313.03699	4.7
315.05069	13.3
317.06754	20.1
331.04807	3.4
391.17545	11.7
437.08734	14.4
449.04990	9.5
464.07523	47.7
465.08362	11.3
477.08328	6.6
571.12909	6.0
603.11615	23.6
603.21002	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	603.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50777	2.7
59.01381	17.8
64.01231	2.4
71.21406	2.4
86.30067	2.6
92.20058	4.6
96.96033	22.2
109.02933	14.1
111.04508	4.1
121.02948	100.0
123.04505	10.5
123.31401	2.9
125.02442	13.2
137.02432	6.6
139.04031	11.8
140.01160	14.1
151.04050	6.5
153.01988	10.0
155.03494	12.3
161.02438	32.8
163.00388	6.0
164.01221	10.6
165.01883	15.1
167.03488	4.6
177.01868	5.0
179.03586	9.7
227.03517	3.1
257.04523	12.5
258.01608	14.3
260.91788	2.7
269.01111	3.6
269.04468	4.7
270.01831	5.1
271.02472	5.0
272.03372	4.7
273.04089	20.4
273.06763	2.8
280.53757	3.1
285.04224	21.8
285.07095	3.5
286.04810	3.6
296.02826	2.9
298.00879	3.0
299.01941	4.6
313.03699	4.7
315.05069	13.3
317.06754	20.1
331.04807	3.4
391.17545	11.7
437.08734	14.4
449.04990	9.5
464.07523	47.7
465.08362	11.3
477.08328	6.6
571.12909	6.0
603.11615	23.6
603.21002	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	603.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04768	2.3
59.24145	2.3
66.37148	2.5
73.04691	2.8
77.01048	2.5
77.59737	2.4
93.74664	2.7
108.02135	4.3
109.02944	85.2
121.02938	9.8
122.03770	3.8
123.00883	2.7
123.04524	18.7
124.01652	4.3
125.02440	16.8
133.02913	4.5
135.04558	4.7
137.02432	23.8
138.03215	3.2
139.04002	18.8
149.02429	5.7
151.03978	15.7
153.01955	24.3
153.05545	3.2
161.02415	22.2
163.00391	13.4
164.01170	48.8
165.01891	25.2
175.00185	3.2
177.01938	10.4
177.99106	3.8
179.03525	57.5
181.05086	5.2
183.02997	5.4
191.03535	2.7
192.00729	9.7
205.01422	3.0
207.03076	23.2
240.04155	3.4
253.05313	3.6
255.02982	3.6
256.03833	5.3
257.04529	4.8
269.04495	3.2
270.01749	3.1
271.02393	12.5
271.05771	2.3
272.03168	22.0
273.03992	5.4
284.03333	15.8
285.04065	5.7
287.05597	13.0
292.15439	2.7
296.03360	3.7
297.00552	5.7
297.03940	3.0
299.02167	7.9
299.05551	23.5
303.08832	3.2
311.05771	2.7
312.02847	4.9
315.05063	14.1
317.06598	36.1
331.04581	4.3
416.05246	9.1
419.03464	2.8
431.07712	10.0
435.07202	3.7
441.19525	5.4
449.08890	100.0
451.10367	3.7
467.09732	12.5
603.15436	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	2.8
59.01383	55.6
59.63772	1.9
66.76814	1.3
70.44707	1.5
71.01385	30.9
85.02952	7.4
87.00892	1.3
89.02444	45.9
100.24709	1.6
101.02448	22.1
113.02460	17.3
119.03509	18.7
125.02445	1.7
140.13371	1.4
143.03412	1.7
161.31395	1.7
179.05617	2.2
180.37170	1.7
199.93982	1.6
241.41072	1.6
289.07199	9.5
313.09314	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	603.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03232	0.5
56.96544	0.4
59.01392	1.2
59.26277	0.4
66.44201	0.5
70.59031	0.6
71.01384	2.7
76.20446	0.5
85.02959	1.0
89.02435	0.9
98.17982	0.7
101.02429	1.2
113.02469	1.1
119.20941	0.5
124.01668	13.5
125.02427	0.7
133.01489	0.6
136.08337	0.5
138.11870	0.6
139.04018	100.0
142.53152	0.5
161.04596	4.6
161.05782	0.4
163.04015	1.2
175.03773	0.5
191.02153	0.6
301.09341	11.2
341.07446	0.5
342.78214	0.5
349.45050	0.5
493.29297	0.6
603.16766	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	603.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02722	4.0
58.06005	3.5
59.01371	7.3
62.45419	3.7
66.33783	3.6
74.63066	3.5
100.65472	4.7
109.02940	24.3
123.04519	7.6
125.02453	19.7
137.02414	21.8
139.04010	20.1
142.13365	3.9
149.02438	15.3
151.04042	8.5
164.01131	21.3
165.01920	63.5
167.03531	5.9
175.93973	4.0
179.03464	20.9
193.01277	5.1
197.59140	4.2
205.05025	4.9
245.08151	6.6
277.14490	19.8
289.07196	24.9
292.82904	4.0
315.05017	8.2
317.06674	5.2
329.21201	6.2
397.20163	4.6
441.19257	37.3
603.12390	17.2
603.24542	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	603.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96448	6.8
56.56789	8.0
67.12221	10.5
87.20576	8.8
96.95998	10.8
106.35356	8.9
109.02946	40.0
110.13895	8.9
121.02966	15.9
123.04520	10.9
124.01625	9.8
125.02415	22.2
135.04567	10.8
137.02449	20.7
139.04024	19.3
140.01193	13.4
151.04065	15.4
155.03539	11.4
161.02446	68.1
163.00372	19.5
163.04027	15.1
164.01134	39.0
165.01930	55.5
177.01917	13.0
221.00957	16.0
228.34544	8.5
243.03163	10.2
257.04495	37.3
258.01709	12.7
273.03995	34.7
275.05753	10.3
277.14410	51.5
285.03955	51.5
285.07172	9.4
315.05225	15.9
317.06583	48.3
437.08997	16.0
441.19339	61.6
453.18478	9.1
464.07480	100.0
467.06360	11.2
477.08142	11.1
571.12286	12.7
603.12305	50.6
603.24011	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86602	2.7
57.88067	2.6
58.88041	2.5
59.18501	2.5
78.11681	2.7
92.20013	6.7
109.02949	100.0
121.02966	4.7
123.00856	3.6
123.04498	15.3
125.02441	13.7
135.04530	4.1
137.02437	17.8
139.04030	4.4
151.04019	5.5
153.01917	5.6
153.05614	3.0
161.02431	3.4
163.00412	5.8
164.01169	42.7
165.01904	20.3
169.03790	3.1
175.00389	3.9
177.01965	5.6
179.03503	46.8
181.05049	16.7
192.00554	3.8
203.07065	5.8
207.02989	29.2
222.00500	3.0
229.04778	3.4
245.08218	3.7
256.03586	3.9
289.07068	31.2
296.03296	4.7
299.05673	15.8
311.05786	3.3
315.05170	5.9
317.06717	39.4
416.05704	5.1
449.09003	36.8
463.10535	4.3
603.14636	69.4
603.25043	24.3
620.33484	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	603.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02722	4.0
58.06005	3.5
59.01371	7.3
62.45419	3.7
66.33783	3.6
74.63066	3.5
100.65472	4.7
109.02940	24.3
123.04519	7.6
125.02453	19.7
137.02414	21.8
139.04010	20.1
142.13365	3.9
149.02438	15.3
151.04042	8.5
164.01131	21.3
165.01920	63.5
167.03531	5.9
175.93973	4.0
179.03464	20.9
193.01277	5.1
197.59140	4.2
205.05025	4.9
245.08151	6.6
277.14490	19.8
289.07196	24.9
292.82904	4.0
315.05017	8.2
317.06674	5.2
329.21201	6.2
397.20163	4.6
441.19257	37.3
603.12390	17.2
603.24542	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	603.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42318	1.4
92.19376	1.4
106.33807	1.7
156.99432	1.4
158.27412	1.6
195.51219	1.4
251.07126	3.2
266.09488	100.0
281.11853	97.0
322.12064	2.5
603.23944	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	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
61.98837	2.3
70.22102	1.1
71.01386	1.4
77.01067	1.1
82.30917	1.2
101.02485	1.6
116.92809	1.2
121.02948	100.0
123.04557	1.2
125.02427	2.3
136.07716	1.3
137.02397	2.1
139.03929	1.1
140.63408	1.1
160.03929	1.2
179.08224	7.0
179.09697	1.1
198.44789	1.2
227.08195	1.7
228.09094	4.8
241.09839	1.9
255.07719	1.7
255.11449	1.4
256.12186	2.9
263.70767	1.1
269.09003	1.4
281.02393	1.3
283.10947	2.8
289.07108	6.5
310.90765	1.3
361.16531	6.9
441.19336	1.9
483.20245	8.5
559.25873	4.5
564.65265	1.3
586.62396	1.3
603.24091	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	603.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84187	0.8
59.01386	12.3
60.50980	0.7
67.28822	0.8
73.69072	0.8
85.02940	2.0
97.02967	1.2
105.01633	1.0
109.02946	4.0
113.02422	4.3
121.02950	100.0
125.02458	1.2
137.02470	1.6
138.56494	1.0
139.04047	1.7
151.03960	1.2
153.01970	1.1
165.01935	2.1
233.83653	1.1
241.44832	1.0
247.13373	1.8
285.04074	1.2
307.15460	3.5
315.05200	1.3
391.17685	13.7
543.22516	4.1
603.11359	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	603.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60049	0.5
59.01388	29.4
73.52309	0.5
77.59248	0.6
93.03410	0.8
109.02875	1.0
121.02955	100.0
123.04539	0.6
125.02460	0.9
137.02457	2.3
139.03986	0.8
150.47267	0.6
163.00391	0.8
164.01108	1.4
165.01892	3.6
173.66260	0.5
174.98964	0.6
178.02740	0.7
179.03432	2.3
209.09843	0.9
210.87646	0.6
213.09213	0.6
225.09151	0.7
237.09157	0.9
255.10274	3.6
267.10358	0.9
273.11353	0.7
285.11230	2.6
303.12402	1.0
321.13278	1.0
363.14514	6.3
410.20364	0.7
523.49170	0.6
561.23730	0.8
571.11810	0.7
603.16089	0.8
603.25555	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	603.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54158	0.3
59.01378	0.8
100.40411	0.3
109.02972	0.3
114.09276	0.3
121.02953	100.0
137.02443	0.7
165.01942	0.5
351.46411	0.3
439.19931	0.7
603.26227	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	603.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80080	0.8
57.28386	0.8
57.60542	0.8
59.01387	19.3
77.11211	0.9
79.45235	0.9
99.88280	0.9
121.02950	100.0
160.53586	1.0
218.26770	0.9
247.13409	1.1
361.16656	1.4
391.17673	15.5
436.47040	1.0
543.22369	2.4
595.93158	1.0
616.33771	1.0
630.62476	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	603.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19194	0.2
59.01387	19.8
61.93649	0.2
61.98839	1.2
71.01373	0.3
79.72610	0.2
85.02959	0.4
88.98814	0.4
93.03490	0.2
97.02944	0.4
99.04543	0.3
101.02396	0.3
107.05041	0.2
109.02943	3.1
111.04506	0.9
113.06045	0.2
117.56519	0.2
121.02954	100.0
122.03736	0.5
123.04513	0.5
124.18586	0.2
125.02499	0.4
137.02470	1.9
137.06108	0.2
139.04025	1.1
147.04463	0.3
149.02344	0.3
149.06049	0.2
151.03986	0.4
151.07622	0.3
153.05634	0.4
163.00357	0.3
164.01236	0.5
165.01965	3.1
165.09250	0.3
167.03520	0.5
177.01927	0.3
179.03502	0.9
179.07150	0.5
181.01381	0.3
181.08925	0.2
189.09253	0.2
191.07262	0.3
193.08664	0.4
203.07104	0.2
204.08008	0.3
219.10193	0.3
247.13347	1.1
253.09898	0.2
283.02655	0.2
289.07108	0.4
315.05191	0.5
361.16580	1.8
391.17682	13.5
441.19321	0.3
483.20129	0.3
543.22467	2.5
603.11786	1.2
603.24695	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	603.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33176	1.0
59.01369	7.8
68.91746	1.2
71.61482	1.2
77.23713	1.3
81.03462	1.5
83.01421	1.6
97.02935	6.4
105.12966	1.9
109.02946	24.9
121.02927	8.8
122.19954	1.2
123.04522	12.6
125.02435	27.6
137.02454	22.4
139.03989	2.8
148.04025	1.3
149.02420	5.5
151.04060	14.0
153.05598	1.6
161.02435	2.5
161.04797	1.2
161.05989	10.4
162.03201	2.0
163.03976	1.7
164.01099	1.4
165.01909	8.6
167.03499	4.9
175.03993	5.5
176.42365	1.4
179.03496	19.1
187.03986	8.1
188.04759	7.4
189.57481	1.2
202.06255	2.4
202.99818	1.3
203.07127	31.6
205.05052	27.2
217.08559	2.6
221.08180	5.9
227.07132	6.3
245.08159	54.5
247.06195	1.7
250.01718	1.4
271.06003	1.6
289.07166	94.2
343.67392	1.3
351.45053	1.4
472.41217	1.4
567.24884	2.5
603.25934	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	14.9
66.61931	2.4
75.49948	1.8
82.51136	2.2
83.15031	2.3
88.98798	100.0
89.02436	16.4
96.71247	2.1
142.38965	2.3
171.23077	2.6
201.27483	2.4
443.06702	2.9
542.51984	2.3
570.69220	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	603.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97503	0.5
59.01385	100.0
63.01717	0.6
85.97045	0.6
97.59769	0.7
277.21710	7.9
287.47714	0.7
291.23294	1.5
319.22449	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	604.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05654	0.9
61.98838	100.0
62.69830	1.0
79.88785	1.1
92.20066	1.1
94.52103	1.1
100.60049	1.2
106.30516	1.2
121.02948	7.8
122.03279	5.0
203.63722	1.2
272.64731	1.1
315.67050	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	604.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80356	0.6
59.01418	0.9
61.98838	100.0
62.33118	0.6
67.43855	0.7
121.02943	4.4
121.13998	0.7
125.02499	0.9
137.02512	0.7
137.96457	0.7
139.04045	1.0
144.35501	0.8
152.59982	0.9
161.02391	0.9
222.55927	0.8
230.57944	0.7
285.48587	0.8
331.28491	0.8
413.65512	0.8
588.50525	0.8
603.43445	0.9
604.26050	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	604.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83175	1.4
59.01367	1.9
61.98835	3.7
62.14829	1.3
67.43099	1.6
69.56126	1.5
73.67578	1.4
73.68021	1.6
75.61162	1.4
97.02937	2.1
119.04938	1.7
122.33668	1.5
137.02455	3.8
139.04033	1.9
149.02444	3.8
151.68625	1.5
169.06563	1.8
187.07597	3.1
195.32068	1.6
211.07561	7.9
227.07088	3.1
229.08777	2.5
240.04295	2.6
255.06607	31.3
273.07709	29.0
285.20663	9.8
312.61911	1.6
321.24371	8.4
323.22385	1.8
343.82556	1.6
397.02307	1.9
407.24411	74.8
496.54565	1.9
541.28064	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	604.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	27.0
61.98833	100.0
78.28384	18.8
79.49712	16.9
93.69530	17.0
94.63373	19.7
106.35123	21.7
121.22009	18.8
363.54068	21.2
570.35645	20.8
604.30682	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91834	0.7
57.72179	0.7
59.01384	17.5
59.23684	0.7
65.18782	0.7
66.35575	0.6
69.81235	0.8
78.88063	0.8
78.95909	10.3
124.48035	0.8
124.59528	0.8
136.71806	0.8
152.99573	3.2
168.04303	3.8
224.06967	11.3
232.40936	0.9
242.08015	1.8
264.65637	1.0
305.24875	100.0
322.12054	1.9
323.12497	2.0
352.99472	0.8
530.32544	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44441	0.3
59.01103	0.5
59.01384	11.8
74.27551	0.3
78.95902	3.2
92.19433	0.8
122.62073	0.4
151.15916	0.4
152.99596	0.9
168.04312	2.3
172.26501	0.4
224.06996	1.5
230.05992	0.4
242.08029	2.3
261.25671	0.5
287.23862	0.5
289.62906	0.4
305.24875	100.0
381.68213	0.4
402.12167	0.5
445.10706	0.4
530.32532	62.9
604.36511	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	605.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82125	2.1
54.37037	2.4
58.78637	2.3
78.63329	2.8
109.02959	26.6
123.00924	3.7
123.04533	3.6
125.02426	25.9
133.02966	6.9
137.02448	35.0
138.03247	15.0
149.02484	3.0
152.68454	2.6
153.01942	50.2
153.05573	100.0
161.06038	3.9
164.01132	57.1
164.98573	2.9
165.01917	25.0
177.01895	5.6
179.03464	24.1
185.06148	4.4
197.04565	50.1
203.07164	18.0
212.39447	2.8
227.07072	5.3
228.04178	10.3
243.06697	3.7
245.08116	3.5
253.05017	14.5
256.03842	3.1
257.04529	11.3
271.06110	66.2
317.06604	5.3
363.12589	3.8
407.11441	3.8
451.10379	44.3
469.11319	78.9
605.12213	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	605.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93841	0.6
53.20588	0.6
57.03460	0.9
71.01376	1.1
71.10416	0.6
76.21067	0.6
85.02918	0.7
93.03448	18.8
93.03980	1.1
95.41616	0.6
98.71351	0.6
99.34092	0.8
125.02444	28.7
137.02446	100.0
139.03935	2.3
149.02493	0.8
167.03534	1.6
169.22882	0.6
177.00493	1.1
177.01939	24.2
179.03476	1.0
257.04529	0.9
299.07758	26.6
303.05185	1.0
305.06689	8.5
443.10226	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	605.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66135	2.1
75.66007	1.9
90.06091	1.9
108.96254	1.9
109.02941	25.0
111.04514	43.6
123.00863	3.0
124.01716	2.5
125.02434	20.5
127.01643	2.0
135.04510	3.2
137.02463	8.2
138.03223	23.5
139.04015	100.0
151.03926	3.8
155.96939	2.2
161.02415	4.4
163.00368	22.5
164.01147	36.4
167.03477	15.7
177.01950	26.0
178.02695	23.5
179.03506	95.4
195.06688	2.1
229.79111	2.1
257.04523	2.9
268.06641	2.1
269.04285	2.2
283.02429	3.5
285.07611	11.3
287.09415	2.3
296.03171	3.0
297.00787	2.3
297.04022	3.8
299.05658	4.3
311.05728	3.1
319.08258	48.3
359.07675	3.6
379.91901	2.1
437.08768	14.1
451.10367	11.5
465.11801	8.7
573.14111	12.0
605.16797	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47150	1.2
72.78972	1.4
81.07483	1.3
84.43166	1.5
93.03449	1.8
95.04974	1.5
95.33542	1.3
109.02950	21.2
111.04514	36.6
121.02927	1.9
123.00892	2.3
123.04380	1.5
124.01579	2.1
125.02428	17.7
135.04558	1.9
137.02412	5.9
138.03238	22.9
139.04013	100.0
139.11510	1.4
151.04018	7.4
161.02454	9.2
163.00356	16.9
164.01137	33.9
167.03499	13.6
177.01930	25.2
178.02702	16.4
179.03488	78.3
193.05035	2.7
204.00635	1.8
212.58279	1.6
233.25586	1.4
257.04504	3.4
269.04547	6.2
285.07635	9.1
296.03278	1.7
297.03958	3.2
299.05530	2.6
301.07156	1.6
319.04883	2.3
319.08249	36.1
358.06958	1.9
359.07797	3.3
433.09555	1.7
437.08841	8.6
451.10394	11.4
465.11774	9.3
494.31326	1.7
573.13885	8.3
587.15369	3.4
605.16748	53.6
605.26013	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	605.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25668	3.3
73.21384	3.2
75.32664	3.4
85.94467	3.1
93.84146	3.2
94.39548	3.4
94.86214	4.1
109.02936	27.8
111.04533	35.8
124.13153	4.7
125.02428	38.2
137.02486	4.1
138.03242	22.7
139.04012	100.0
151.04018	8.9
161.02426	4.6
163.00375	18.0
164.01160	43.4
165.01894	7.1
167.03482	20.1
172.20923	4.1
177.01941	29.5
178.02716	17.1
179.03508	78.6
198.68146	3.7
247.24133	4.4
269.04529	5.7
271.06131	6.8
285.07632	5.0
287.09314	3.8
297.03989	7.2
299.05563	8.2
311.05307	3.9
319.08182	29.9
359.07712	6.7
437.08688	18.3
451.10303	6.7
465.11938	9.3
573.14264	13.6
605.16779	72.5
630.08551	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	605.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65086	2.5
58.67674	2.1
59.01398	24.0
60.82127	2.4
61.98829	2.7
70.75809	2.5
88.98817	4.9
109.02997	21.8
111.04552	2.7
113.39270	3.2
121.02955	99.5
122.03275	12.3
123.04459	3.6
124.01646	10.6
125.02437	15.5
135.04474	2.9
136.65193	2.9
137.02408	4.9
139.04018	53.4
149.02448	4.2
151.03961	11.0
153.05563	3.4
155.90057	3.4
161.02451	100.0
163.00351	12.9
164.01172	20.3
165.01973	6.9
167.03578	3.2
177.01848	5.5
178.02690	17.8
179.03529	32.2
180.24408	2.7
181.01659	3.1
181.05089	14.9
202.53517	2.8
209.04593	22.6
257.04474	15.4
257.12943	6.3
268.03741	4.8
271.06110	3.6
283.06055	18.5
285.07654	4.4
299.05499	3.5
301.07089	19.4
319.08279	16.1
359.08133	3.2
381.18057	11.0
451.10153	12.7
465.11911	11.6
476.92224	2.9
545.23657	4.7
573.14563	4.7
587.15582	4.8
605.16504	83.0
605.26343	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59301	0.7
55.74295	0.7
59.01371	1.3
71.01385	1.6
85.17699	0.7
88.98779	1.3
89.02428	1.4
90.70396	0.8
94.02413	0.8
94.02981	22.5
96.04555	9.7
109.02960	7.1
110.36431	0.9
111.00845	1.6
113.02430	0.8
121.02898	1.9
122.06066	4.3
123.04488	3.2
124.07688	18.7
125.02398	1.5
137.02432	1.1
149.02379	0.8
151.04036	9.5
161.02446	6.4
161.57642	0.8
163.04008	1.1
175.03955	1.5
176.01016	1.1
177.01930	16.1
178.08664	0.8
179.03491	17.6
187.03935	3.1
188.04735	0.9
189.01949	15.7
190.02713	6.9
191.03519	44.8
191.05275	1.7
191.08231	1.0
192.10199	1.1
204.04262	1.7
217.01469	6.1
218.02126	1.5
219.02963	7.6
219.11412	11.6
221.96794	0.8
231.02873	3.2
232.03764	9.7
263.10297	14.8
271.10889	1.2
289.06955	3.3
297.07538	1.1
316.84598	0.9
321.57224	0.9
323.05338	4.0
334.89273	0.9
341.06683	100.0
408.82709	1.0
446.58810	0.8
545.26086	1.8
605.17499	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32712	0.6
50.44037	0.8
51.98515	0.7
57.03446	3.4
59.01386	10.6
71.01387	34.4
73.02933	3.4
78.95907	0.9
83.01404	3.2
85.02951	24.9
87.00867	12.2
89.02433	12.3
95.01392	1.5
97.02949	1.6
101.02448	6.4
111.00864	4.5
113.02457	38.3
119.03522	0.9
129.01961	1.2
131.03493	3.7
151.06131	38.9
160.71927	0.7
173.04550	11.6
174.99829	0.7
176.71904	0.8
185.19592	1.1
194.12488	0.7
201.04121	3.0
203.05586	0.9
205.07112	1.0
207.42188	0.8
213.25491	0.8
245.06754	1.3
265.09280	1.8
317.08817	1.9
541.13416	0.8
579.16766	1.0
605.19434	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	605.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87848	1.3
59.01384	5.7
65.29736	1.2
71.01367	2.4
77.47280	1.4
89.02444	6.1
96.96957	1.6
106.76363	1.4
119.03542	2.2
119.05006	9.6
125.02393	2.5
137.02422	3.6
145.02953	100.0
161.04506	5.6
163.04036	13.8
173.04617	1.9
179.05606	6.9
191.05585	2.1
204.02908	1.9
279.10806	8.8
280.30109	1.8
291.55963	1.6
325.05603	2.8
325.09329	67.3
365.90314	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	605.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59997	8.9
65.83438	8.0
71.01372	10.6
72.36985	7.8
77.58633	7.9
78.18685	7.7
79.79151	9.1
91.75882	6.9
101.44926	8.5
123.04478	13.0
165.01904	19.0
204.37582	8.8
216.54559	9.3
451.21924	17.3
541.30762	11.0
605.27045	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	605.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82859	0.8
59.38105	0.8
62.05648	0.8
64.40298	0.9
73.93982	0.9
91.00993	0.9
106.23946	0.9
380.23862	1.1
457.20038	2.0
459.18503	2.3
471.18124	1.4
473.19733	5.5
485.23746	1.1
486.20670	8.1
496.18927	1.6
499.17804	1.9
501.22687	4.6
511.21106	4.9
513.18805	2.0
514.20020	11.2
518.19452	1.2
529.22473	100.0
561.25433	1.1
573.21283	4.4
605.23999	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	605.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62400	0.5
53.88370	0.5
54.67345	0.6
71.66796	0.6
89.49045	0.7
92.20093	3.7
109.02938	2.6
121.02952	100.0
122.03750	1.3
123.04502	1.3
137.02489	1.1
165.02003	4.7
203.07207	0.7
262.46588	0.7
333.17227	0.7
392.60052	0.7
437.33240	0.9
483.23010	0.8
490.26056	0.8
605.27655	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	605.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93480	0.6
59.01102	0.9
59.01387	19.3
59.37379	0.5
61.29626	0.5
85.02944	0.6
113.02430	0.7
117.90961	0.5
121.02956	100.0
122.03270	0.9
135.25217	0.5
138.92845	0.6
139.04036	1.0
144.78183	0.6
173.09712	0.6
183.63370	0.6
223.07491	0.6
239.10851	1.2
299.12872	3.2
365.16125	3.8
469.18427	0.7
483.22717	2.3
605.26453	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	605.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.4
88.29700	1.1
98.16914	1.1
102.40038	1.4
109.02926	5.5
112.10612	1.2
121.02954	100.0
124.01682	2.0
139.03998	11.7
151.03938	1.4
161.02438	18.8
164.01135	1.7
178.02747	2.4
179.03508	11.4
180.92938	1.1
181.05182	1.5
183.02989	1.6
209.04532	2.0
257.04483	1.7
283.06158	3.0
285.07565	1.5
301.07236	5.6
319.08221	2.2
425.12955	1.4
437.08771	1.8
441.86526	1.3
447.10785	1.3
448.73489	1.3
451.10315	1.7
495.12714	1.6
545.23993	4.6
605.16846	17.3
605.25830	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	605.2615
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
52.65150	2.6
58.02916	2.1
58.97412	2.2
59.01385	20.6
60.27552	3.0
60.60611	2.3
69.85680	2.3
76.24647	2.4
101.02454	4.5
101.74406	2.5
120.44459	2.7
121.02950	88.8
122.06146	3.4
124.07665	2.8
129.05630	3.1
136.07689	4.6
138.09224	5.1
148.04057	15.8
150.05579	13.0
161.04857	5.7
162.05635	4.5
164.07051	3.1
173.06058	4.5
174.04257	6.1
174.05620	4.8
175.05191	4.6
177.06735	3.5
181.08687	33.8
191.08325	2.9
192.98409	2.7
197.45876	2.7
199.07776	3.9
201.09232	14.6
202.08701	11.7
242.08188	12.3
243.08884	2.8
244.09871	30.4
278.62265	2.6
287.13983	14.9
312.13687	5.2
339.17081	4.4
370.17706	6.0
381.18228	100.0
382.17648	3.5
436.18811	6.3
442.19775	14.5
561.27075	11.7
587.24939	10.4
605.26227	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90296	2.0
55.98470	2.4
59.01386	60.6
66.43226	2.4
71.01369	23.7
72.92884	2.1
73.02944	14.8
73.15022	2.0
83.01399	5.7
85.02964	3.9
89.02440	16.5
92.20022	5.0
101.02443	29.8
103.04021	5.5
113.02438	10.5
115.04006	3.7
119.03522	2.6
125.02405	5.4
131.03503	5.6
143.03502	4.0
156.14519	2.4
161.04518	3.5
163.06120	13.7
163.28787	2.4
165.01883	2.9
205.07048	2.8
315.19769	3.2
374.11575	2.4
399.23621	3.5
475.59998	2.8
545.29663	100.0
605.27081	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	606.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17710	2.4
57.49243	2.5
69.09852	2.9
70.08205	3.1
71.01335	2.8
78.95905	99.8
96.96953	23.8
111.02011	24.7
123.50063	2.9
146.84462	3.1
158.92534	59.3
174.97980	4.0
176.93587	17.4
187.69293	3.2
228.96445	3.1
260.95822	3.6
272.95651	29.0
282.03745	24.6
305.01706	3.7
321.29245	3.4
347.76273	2.9
379.20966	2.9
384.98257	12.5
438.28168	3.1
457.28220	2.9
565.90576	3.9
606.07452	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	606.0751
Annotation	Uridine diphosphate-N-acetylglucosamine
Peak:m/z	Relative Intensity
54.27477	0.8
54.30996	0.8
55.02907	0.7
55.11074	0.8
61.55820	0.8
61.81131	1.0
62.89127	0.8
77.57474	1.2
78.95908	100.0
89.66561	1.1
96.96965	21.7
111.02015	15.9
130.56963	0.9
148.69142	0.9
158.92537	56.2
162.97986	1.2
170.06557	1.0
174.97989	6.4
176.93584	16.5
192.99080	1.6
211.00076	1.1
240.02713	1.5
242.81238	0.9
260.95673	2.0
264.02710	1.5
272.95718	28.3
282.03842	24.4
300.04834	1.5
305.01834	1.7
323.02881	3.8
362.00491	4.5
384.98315	11.7
396.14282	0.9
402.99579	4.1
460.08691	1.1
606.07544	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39518	0.6
51.22979	0.6
61.98837	100.0
71.04620	0.7
94.83163	0.8
101.83037	0.8
103.92440	0.9
121.02092	1.2
121.02958	19.7
122.03325	5.9
162.80379	0.9
212.09456	0.9
219.73024	0.9
364.84155	0.9
402.35480	0.9
606.28088	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	606.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88577	0.7
59.01385	5.9
61.98836	100.0
90.59942	0.8
94.72466	0.7
100.83411	0.9
110.45208	0.7
121.02953	17.2
122.03274	5.1
126.14185	0.8
137.06090	0.8
195.12111	0.7
224.19815	0.8
274.44122	0.8
313.98175	0.7
395.18127	0.7
546.22931	0.8
606.26727	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	607.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13942	1.5
56.60791	1.3
57.03434	1.6
68.99062	1.9
83.01388	2.0
125.01549	3.4
125.02438	90.3
137.02376	2.0
149.02405	3.1
151.00395	13.9
151.04010	3.7
152.01138	3.1
153.01955	14.0
162.08070	1.8
168.80966	1.9
175.03987	19.6
177.01895	15.5
178.99825	11.5
181.01384	3.7
189.05573	3.7
198.70566	1.9
199.03992	10.4
217.05038	14.1
241.05107	11.9
243.02901	2.2
243.53244	1.8
259.06119	4.3
269.30859	2.2
275.05588	7.5
285.04056	64.8
295.70593	1.8
299.77347	1.7
300.02649	2.4
301.02673	1.7
303.05109	100.0
430.18417	2.1
482.37979	2.1
607.12695	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	607.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33490	1.2
57.03447	5.7
62.46016	1.2
70.17935	1.3
91.39159	1.6
92.20132	1.4
98.29333	1.5
109.02945	8.3
111.04516	13.8
119.14182	1.3
125.02444	100.0
137.02477	7.0
138.03210	1.5
139.04012	32.9
145.32549	1.5
161.02446	37.4
164.01106	6.0
167.03458	2.5
177.01860	12.6
179.03482	15.1
245.04538	8.4
255.02928	5.0
256.03888	2.1
257.04587	1.8
269.04648	2.1
282.01697	6.3
287.05569	9.2
288.49506	1.4
297.04077	7.9
319.08191	7.9
437.08801	30.3
455.09790	6.5
481.11801	10.7
546.24109	1.6
563.15381	1.6
607.14771	21.7
613.79095	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	607.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32577	1.5
57.03452	6.7
62.81035	1.5
69.52303	1.5
75.93028	1.6
79.71812	1.5
92.19458	1.7
93.15408	1.4
100.84200	1.7
109.02949	10.4
111.04517	14.8
125.02448	100.0
133.02890	1.5
137.02487	3.6
138.03296	1.8
139.04033	39.1
151.03902	2.0
161.02452	39.4
164.01126	6.6
167.03499	2.7
169.42485	1.5
177.01866	6.4
179.03528	16.2
245.04570	7.8
255.03012	3.4
256.03827	1.8
257.04739	1.8
269.04514	2.0
282.01697	3.4
287.05582	8.6
297.04025	6.4
306.48273	1.7
319.08231	8.9
397.69415	1.6
437.08838	39.5
455.10104	1.8
481.11441	11.4
589.13855	2.2
607.14801	23.8
628.70325	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	607.1465
Annotation	CHEBI:68144
Peak:m/z	Relative Intensity
51.59612	1.3
53.86424	1.5
53.86702	1.5
56.65189	1.6
57.01508	1.4
57.03446	6.7
79.78329	1.9
84.05767	2.0
96.32946	1.5
103.45653	1.6
109.02969	8.0
111.04497	12.0
123.00750	1.8
125.02448	100.0
137.02501	2.4
139.04008	32.6
161.02438	31.0
164.01154	7.6
167.03453	3.7
177.01956	9.1
179.03459	11.0
245.04604	2.6
255.02957	2.6
282.01758	3.9
287.05688	8.6
297.04364	2.7
319.08398	7.7
369.09564	2.2
399.98550	1.7
424.40451	1.7
437.08798	32.8
455.10278	2.7
481.11243	8.8
529.56134	1.8
563.15552	2.5
607.14777	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52652	0.5
59.57904	0.5
60.41740	0.5
68.51287	0.6
68.94941	0.6
79.15677	0.6
83.81011	0.5
92.20074	1.0
93.03460	24.6
109.02979	0.8
121.02956	100.0
123.04500	1.2
125.02427	3.2
137.02449	69.4
139.04050	0.6
151.03969	0.8
152.01237	1.2
155.03490	10.9
155.58299	0.6
167.03479	9.7
168.18648	0.7
173.04549	2.7
191.03554	0.7
193.40388	0.6
282.12231	0.7
289.07150	1.0
315.05344	0.9
323.07840	5.1
323.11490	0.8
338.31482	0.8
445.11597	1.2
485.12839	1.1
607.16693	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53590	1.7
63.49659	2.0
65.40163	2.0
68.82962	2.2
78.19701	2.2
88.98790	3.0
94.79543	2.1
95.68155	2.2
98.13136	2.2
101.38570	2.0
103.42374	2.0
106.03845	2.3
109.02942	22.7
123.04518	44.9
124.01750	2.5
124.28505	2.0
125.02470	4.8
126.12830	2.2
137.02431	4.1
139.03986	14.5
150.03198	2.5
151.04016	17.6
152.27014	2.3
161.02460	2.3
163.04010	4.2
164.01140	27.1
165.01920	4.9
172.09781	2.1
177.01920	2.4
178.02734	4.3
179.02068	2.9
179.03520	53.5
193.05138	2.8
195.06627	2.6
220.44473	2.0
282.46848	2.1
303.05408	4.0
303.08771	100.0
607.28748	9.6
627.49414	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	607.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41665	5.1
52.61844	4.9
59.99122	6.5
64.93118	5.4
65.95567	5.7
68.76704	6.5
121.02953	100.0
226.54715	7.1
256.96603	6.1
347.91425	7.5
352.56192	6.6
607.28986	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	607.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73106	5.5
59.01374	9.4
61.98830	19.0
74.93220	4.7
89.02431	6.2
92.19308	6.5
121.02953	100.0
125.02470	5.4
150.03133	6.0
161.02197	6.4
165.01894	8.4
179.03569	8.0
181.67784	5.9
217.05060	10.0
231.02956	8.5
245.04265	6.1
257.04529	27.5
285.04230	7.6
297.51440	6.0
308.34647	5.6
386.55759	5.4
455.09686	28.8
463.80667	5.3
485.19437	10.4
607.14172	28.5
607.28625	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	607.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23548	0.8
59.01386	100.0
61.98835	1.0
71.01376	0.9
72.98322	0.7
83.01349	1.0
89.02450	5.2
95.23793	0.8
96.97466	0.9
111.04514	1.0
125.02417	1.8
137.09714	2.0
138.03244	0.9
139.07729	1.1
151.07640	1.4
155.10777	9.4
165.01904	1.0
199.09840	7.0
201.12857	1.0
205.08669	0.9
219.13879	4.1
223.09750	1.8
227.20415	0.9
263.12891	1.8
265.10831	4.1
299.16049	0.9
313.23962	1.8
343.13910	5.5
422.81009	0.8
475.29236	4.0
547.21777	5.1
607.23395	5.8
607.33441	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	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98841	2.8
71.01392	2.6
73.02962	3.8
82.63667	1.9
83.01392	3.8
84.71822	2.0
85.02936	3.6
89.02434	4.1
96.59062	2.5
97.02933	3.1
101.02464	3.5
122.03667	2.5
125.02422	4.6
125.06072	3.9
135.08241	2.3
137.09746	17.1
139.07675	4.3
151.07631	16.7
152.08421	4.4
153.09088	3.3
155.10770	67.4
165.01953	4.2
165.05394	2.3
169.12303	4.0
175.11292	3.1
179.10786	11.3
199.09776	45.9
201.12854	8.9
203.10628	2.8
204.11508	13.2
205.08693	10.3
219.13940	19.8
223.09766	14.7
237.11412	2.8
241.10866	8.1
247.09778	4.8
263.12875	24.0
265.10822	13.3
267.66708	2.1
301.12766	3.3
313.23816	3.8
343.14050	42.5
361.14984	13.7
486.02838	2.2
607.26862	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88070	1.0
59.01387	60.2
59.20427	1.1
69.43101	1.3
69.98512	1.2
73.02947	57.9
94.75957	1.2
117.05579	100.0
118.67731	1.4
165.01941	1.3
170.97763	1.3
227.99382	1.3
385.20248	6.5
429.19235	13.1
489.21310	4.7
607.27924	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	68.4
63.08131	1.3
65.10524	1.2
73.02946	59.8
96.99670	1.6
117.04738	3.3
117.05573	100.0
133.52779	1.3
144.94173	1.4
150.64067	1.5
152.04491	1.5
208.60432	1.6
288.26349	1.5
317.81360	1.6
385.20178	5.6
429.19113	10.6
489.21198	6.3
607.27661	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82953	1.3
59.01384	6.2
60.73279	1.1
61.98833	2.2
71.01391	5.8
74.02456	1.5
75.00876	1.3
83.56171	1.2
87.04544	1.9
88.98779	1.2
89.02460	2.3
90.95017	1.3
101.02448	1.9
109.02944	2.2
111.00877	2.3
112.04050	6.2
113.02432	2.5
114.26774	1.2
121.02898	2.2
122.06112	38.1
123.04505	1.9
124.04046	7.6
125.02449	5.5
136.07692	2.6
137.02449	2.5
138.05611	18.3
140.07159	11.7
146.06119	8.8
146.41055	1.3
147.06882	3.1
148.07664	2.7
151.00365	2.7
152.07188	13.7
153.01862	1.6
153.30115	1.4
162.05614	19.6
165.01926	2.3
169.51833	1.4
172.24162	1.2
174.05591	2.3
178.99962	1.5
183.05420	2.6
184.06155	24.2
203.08398	2.5
208.71046	1.2
216.10367	2.1
226.12415	10.7
227.08310	5.1
227.11909	1.7
241.09859	18.0
242.10590	9.8
244.13411	5.1
245.09236	6.8
245.13014	8.1
255.11366	6.5
259.10947	5.9
260.11713	5.5
269.12961	78.0
270.13699	2.1
271.10947	1.4
275.13971	23.4
280.31497	1.4
287.13885	1.4
300.02817	2.0
301.03659	6.7
313.12048	7.8
316.02359	2.2
331.13034	23.1
445.20953	2.2
589.26819	35.9
607.27936	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	607.2921
Annotation	Scortechinone T
Peak:m/z	Relative Intensity
67.07964	0.7
85.24983	0.8
97.02921	1.8
98.03775	1.0
104.21603	0.8
109.02927	4.2
121.02903	1.5
122.03735	20.7
123.04491	3.2
124.01617	1.2
125.02460	1.1
126.57812	1.0
137.02444	28.4
138.03210	3.9
139.03973	1.8
149.02435	1.5
151.04031	0.9
161.06064	1.1
164.01178	6.5
165.01932	94.0
179.03526	12.9
191.07114	1.1
203.07164	8.1
205.05139	6.0
244.07396	1.6
247.05992	1.4
288.06387	5.0
355.11526	1.4
443.24475	1.1
607.29230	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	607.2925
Annotation	Scortechinone T
Peak:m/z	Relative Intensity
59.01377	4.2
59.27365	0.9
61.98840	4.0
67.64634	1.1
68.30692	0.9
72.66923	1.0
95.05053	1.0
97.02927	1.4
109.02947	4.6
121.02946	7.8
122.03759	15.3
123.04537	1.9
125.02438	3.9
137.02460	22.2
138.03267	1.6
139.04042	1.6
149.02399	4.2
151.03938	1.5
161.02458	1.5
161.06042	4.1
164.01115	6.0
165.01924	52.6
177.05428	1.2
179.03488	8.9
187.03999	2.4
201.05684	1.4
202.06305	1.2
203.07126	9.5
205.05130	7.3
219.06682	1.1
244.07364	1.7
245.08189	1.8
245.51244	1.1
247.06271	1.6
392.46658	1.1
443.24387	1.7
455.24475	5.5
483.23309	1.2
563.30231	2.2
571.23834	1.8
607.29181	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	607.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
112.60550	19.3
117.56706	19.1
123.98900	16.6
126.99869	16.8
303.23221	100.0
386.60880	19.5
395.73788	20.5
409.28665	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	608.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59345	1.3
61.98838	100.0
121.02958	5.7
122.03288	2.9
499.67981	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	609.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10562	2.7
56.02620	3.2
59.08104	2.7
63.36160	2.8
72.38451	3.1
74.37878	2.8
109.02920	3.2
113.83682	3.5
118.75227	3.3
121.06495	3.1
125.02455	51.2
131.97749	3.5
137.02473	6.8
139.04036	4.7
149.02521	3.4
151.00288	4.2
153.01978	17.9
165.01891	14.1
175.00336	26.9
177.01976	6.7
178.99921	10.2
180.57027	3.2
184.87660	3.3
185.61017	3.6
191.03520	7.9
192.09584	3.5
193.01421	100.0
203.07100	3.3
215.03546	5.0
257.04581	5.6
289.07196	17.7
301.03513	8.1
319.04700	38.7
319.08163	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	609.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00601	1.4
59.01369	2.2
63.44339	1.7
64.26455	2.3
65.90140	1.8
79.67558	1.7
83.27856	2.2
95.32166	1.9
98.42529	1.9
130.30299	1.6
137.91179	1.9
157.82825	1.8
165.01958	9.3
255.02742	1.8
271.02448	2.7
271.82614	2.0
300.02716	28.6
301.03488	4.1
388.05807	30.4
403.08395	17.0
415.04630	14.4
519.07495	7.4
533.08710	2.7
547.06921	7.2
561.08447	2.6
577.11096	7.7
609.14240	100.0
617.99084	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	609.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87951	1.3
53.03495	1.4
57.15834	1.4
59.01379	2.1
61.98827	8.0
62.45785	1.4
65.00332	7.1
73.85178	1.8
84.82619	1.4
87.27839	1.4
97.02954	3.0
98.89268	1.5
102.31329	1.6
103.48744	1.6
121.02901	2.4
126.33344	1.6
149.99625	2.2
150.42168	1.5
153.01950	1.9
165.01906	32.3
185.93163	1.9
266.09488	2.8
281.11917	3.0
300.02792	6.6
375.05029	2.4
403.04626	3.3
418.06955	62.5
430.03220	2.8
433.09268	22.0
445.05786	6.2
519.07404	1.9
533.08899	9.8
547.06818	14.7
561.08282	8.0
562.09247	14.6
577.11505	29.1
609.14130	100.0
609.29236	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	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75970	0.8
59.26352	0.9
65.23129	0.8
68.76851	0.9
75.95461	1.1
89.27816	0.9
114.28111	0.9
121.58075	1.0
151.00369	4.7
163.00340	2.0
166.31906	1.1
178.99803	1.0
185.84117	1.0
205.73973	1.1
206.51961	1.0
216.22868	1.2
243.02927	10.5
244.03735	1.0
255.03027	8.6
257.04556	2.1
271.02484	20.7
272.03223	5.7
285.03983	9.7
286.05054	2.1
287.05563	2.1
299.01987	47.1
300.02759	68.8
301.03561	5.1
303.51807	1.0
313.85544	1.2
314.04343	55.1
315.05133	100.0
342.68723	1.1
357.06699	1.3
423.00293	1.2
561.71295	1.2
602.35559	1.2
609.14697	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49195	0.5
53.53057	0.5
58.42001	0.5
92.19499	0.8
109.02978	0.7
121.02964	1.1
125.02437	0.8
137.02423	1.0
151.00392	8.3
151.04057	0.8
163.00420	1.0
165.01950	1.1
172.30193	0.7
178.99870	6.3
227.03485	1.2
243.03032	0.9
254.02295	0.7
255.03017	9.9
271.02484	19.7
272.03336	1.1
273.04263	1.3
300.02771	100.0
301.03552	25.6
522.45032	0.7
609.14758	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63456	0.5
59.01389	0.9
60.32680	0.4
64.44327	0.4
71.01381	6.7
74.41459	0.4
75.27043	0.4
75.67020	0.4
77.36289	0.5
89.02428	0.7
101.02413	0.6
115.00376	17.6
119.05020	21.9
121.02942	1.0
123.03488	0.5
130.81090	0.5
133.01428	100.0
163.04005	50.0
167.03545	0.8
239.18114	0.5
279.05106	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	609.1469
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
60.99337	0.8
68.62125	0.6
86.13606	0.7
86.70281	0.6
88.98797	5.8
109.02982	0.8
118.10487	0.7
125.02460	0.9
137.02437	0.8
140.41905	0.6
147.91887	0.8
151.00331	8.2
163.00420	0.7
165.01910	3.5
178.99838	5.3
254.02240	0.8
255.02954	10.4
270.31140	0.7
271.02454	16.0
272.03186	2.7
273.04092	0.8
299.02011	1.2
300.02762	100.0
301.03528	25.2
314.04361	0.8
331.73026	0.6
412.34259	0.7
467.08383	0.7
486.51422	0.7
609.14752	76.0
609.29437	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	609.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81256	1.3
55.26579	1.6
57.03453	2.4
59.01101	2.2
59.01384	41.8
62.26186	1.7
71.01383	26.8
85.02962	1.7
89.02451	38.8
101.02453	20.5
111.04473	2.2
113.02451	10.9
115.41211	1.8
119.03495	10.6
125.02443	58.3
137.02449	15.1
137.65547	1.7
139.04021	6.4
141.28493	1.7
149.02441	2.7
151.04028	2.2
151.44788	2.0
152.01175	3.4
165.01904	8.3
167.03479	34.4
175.03998	1.9
177.01944	50.9
177.03430	1.9
179.03514	8.8
191.03574	1.7
219.06622	7.2
221.04585	3.1
229.04955	2.5
232.97226	1.6
243.03018	4.2
255.03105	13.3
256.03726	4.1
261.07712	1.9
273.03882	2.3
279.10873	100.0
283.02484	13.3
297.04071	6.7
303.05109	2.4
305.06750	22.5
423.07336	38.0
441.08286	27.9
483.09476	4.1
609.12341	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94757	0.5
59.01384	100.0
65.21167	0.6
67.26064	0.6
71.44268	0.5
76.84618	0.6
91.60525	0.7
116.92856	8.8
119.85527	0.7
141.68909	0.7
223.11429	0.6
251.10794	0.6
356.51120	0.6
389.19946	0.7
514.30151	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	609.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06488	0.9
59.01385	100.0
61.98821	1.3
62.29547	0.9
65.02495	0.9
71.01369	1.6
73.47153	1.0
75.00845	1.2
84.50259	1.0
85.02947	16.7
88.98766	1.5
90.55983	0.8
101.02435	1.7
116.92802	2.2
119.05012	1.0
127.03993	1.5
165.01920	4.3
178.99821	1.1
181.08673	2.3
255.02855	1.8
271.02444	4.0
283.16385	1.1
298.57590	1.0
300.02795	25.7
301.03558	4.7
327.16187	1.4
447.20142	1.6
507.22293	3.9
525.23700	4.2
567.24567	39.3
609.14905	15.3
609.24512	2.7
609.29547	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	609.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98822	3.5
71.01343	2.2
73.50278	0.6
88.98800	2.7
89.02441	1.2
90.33556	0.6
92.19456	0.9
98.64512	0.6
99.92590	0.9
101.02454	1.3
108.46056	0.6
109.02946	0.7
109.06578	1.0
113.02480	1.0
116.92857	18.0
117.01887	0.8
119.05049	0.7
125.02428	0.7
134.68663	0.7
137.02495	1.0
148.01620	0.7
151.00346	3.0
151.60136	0.7
163.03983	1.1
164.82828	0.7
165.01950	1.4
178.99905	2.7
181.08733	1.3
215.71860	0.7
235.62933	0.7
255.02917	3.9
271.02512	7.5
272.03104	0.9
300.02765	43.2
301.03528	10.4
385.23663	2.6
395.94031	0.8
447.23837	1.0
477.30615	1.1
567.24536	1.5
571.64954	0.7
609.14807	28.3
609.28827	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	609.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
59.01384	37.9
59.07898	0.7
65.42480	0.7
71.01382	28.4
72.99320	1.3
73.02950	5.1
83.01398	1.3
85.02949	7.8
87.00828	0.7
89.02444	25.1
89.26480	0.7
95.01376	1.7
96.96024	1.1
99.00877	1.4
101.02443	23.0
109.02923	0.8
113.02457	13.5
119.03488	8.9
121.02909	0.9
122.03696	1.4
125.02454	1.2
137.02406	3.6
143.03534	1.1
147.32182	0.8
150.99298	0.8
151.00343	7.8
161.04544	5.0
163.00409	0.9
164.68922	0.9
165.01945	13.3
178.99875	6.8
179.03485	1.4
179.05588	1.9
203.07104	1.0
205.05081	1.5
221.07878	1.1
225.14948	3.0
243.02887	1.1
255.02998	10.6
271.02438	17.9
272.03271	1.0
300.02762	100.0
301.00305	1.3
301.03568	22.0
301.06927	0.7
323.46338	0.9
378.49350	0.8
419.49619	0.9
447.22409	4.5
609.04578	1.6
609.14655	62.3
609.28101	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20683	0.9
59.01388	17.4
70.39033	1.1
71.67381	1.1
78.45584	1.3
81.96004	1.3
97.02970	1.2
99.04496	3.1
100.04872	1.5
109.02941	2.9
121.02957	1.4
122.03745	15.6
123.04517	4.5
125.02410	2.2
137.02463	13.6
138.03235	1.5
148.39804	1.3
149.02440	1.7
161.06088	1.8
164.01123	5.5
165.01939	54.6
179.03520	7.0
200.66995	1.3
203.07103	6.9
205.05023	8.1
208.40996	1.5
221.08138	1.7
226.50449	1.3
245.08186	2.9
271.66925	1.4
288.06363	2.5
507.27350	2.0
609.30731	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	609.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36453	0.9
59.01387	100.0
71.15266	1.1
84.26452	1.0
95.39915	1.2
99.58461	1.1
100.81770	1.1
106.52586	1.2
145.71326	1.2
164.44017	1.2
201.81044	1.1
489.32336	8.6
493.36371	1.1
549.34540	15.1
597.10687	1.1
609.36707	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	609.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58168	1.4
67.68659	1.6
76.74461	1.4
94.98364	1.7
95.05021	37.5
127.13217	1.4
151.00285	1.6
168.41580	1.4
188.23785	1.5
195.13911	19.8
196.14772	2.7
205.12392	1.6
223.13364	14.2
236.63046	1.5
246.12379	23.2
271.02466	5.7
275.20181	7.5
278.11343	51.2
293.21246	100.0
298.26675	1.7
300.02765	24.2
301.03613	3.7
315.19345	28.2
609.14606	17.8
609.41437	85.4
611.69025	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	609.4147
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
64.90384	2.3
78.85587	2.5
121.10221	19.5
171.10268	54.5
231.21185	3.7
271.02527	6.0
275.20145	50.1
293.21439	23.3
300.02771	34.2
301.03320	6.6
315.19394	16.9
493.55307	3.5
609.14551	27.6
609.27795	4.6
609.30798	4.1
609.41754	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	609.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80546	4.2
69.44532	3.9
72.85229	4.2
87.68247	3.8
146.01654	4.3
179.89552	4.3
199.94136	4.4
253.21744	100.0
483.44302	4.8
609.14465	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	610.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.98831	2.0
69.51791	0.5
71.01396	0.9
73.02927	2.6
87.04509	3.1
88.98806	0.7
89.02453	0.9
92.19405	0.6
92.40849	0.5
99.83347	0.6
101.02431	4.0
103.55835	0.5
109.91555	0.7
116.92856	1.0
125.39526	0.6
137.09717	11.4
155.10773	100.0
165.01921	0.9
169.12360	6.2
181.08693	9.4
199.09767	59.8
213.11375	4.8
217.29213	0.6
241.10814	26.4
300.02640	2.4
301.03140	4.9
301.12997	0.7
302.03656	0.9
317.12405	0.9
327.79166	0.6
361.14932	3.5
389.14645	1.2
419.15491	5.1
479.17712	75.5
608.37433	0.6
609.68604	0.6
610.22510	7.6
610.30396	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	610.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.67813	3.5
62.94094	3.2
63.26955	3.5
63.41330	3.1
65.50703	3.6
76.31670	3.7
77.05095	4.1
117.21035	3.6
149.06082	5.0
153.22856	3.8
154.38095	3.8
157.40941	4.3
179.07159	20.0
194.13281	5.0
197.08246	9.0
209.08171	5.7
213.38245	4.5
243.08939	3.8
247.05913	4.3
255.02972	4.3
300.02957	5.5
301.03290	8.2
381.28482	4.2
405.19574	6.1
610.15222	6.8
610.30780	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	611.1204
Annotation	Pentagrametin
Peak:m/z	Relative Intensity
52.56731	2.5
59.01410	2.7
71.83831	3.1
78.01026	2.3
80.25739	2.3
90.53017	2.3
163.67909	2.8
165.01965	3.3
204.17299	2.8
211.79994	2.6
254.30687	2.6
257.04672	3.6
387.22363	2.7
388.06012	11.3
389.06659	13.4
433.09467	20.6
495.63644	3.0
535.06573	3.3
550.05505	29.0
564.06958	4.4
565.07526	17.5
581.07373	3.6
596.09497	14.3
611.02142	3.6
611.12024	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	611.1202
Annotation	Pentagrametin
Peak:m/z	Relative Intensity
53.19107	2.4
58.97062	1.9
59.11016	1.9
73.42447	1.9
92.20057	2.7
94.42434	2.1
97.73069	2.1
124.01638	4.8
139.03995	9.7
151.03972	11.6
152.01180	3.8
165.01917	3.3
167.03488	100.0
173.45844	2.1
187.81255	2.0
195.02945	11.0
209.43826	2.1
224.63942	2.3
257.04578	8.5
320.06808	4.6
342.05252	4.9
346.04742	10.4
357.07794	4.3
361.07260	8.9
374.04315	2.9
388.05630	14.3
401.06946	4.0
417.06149	3.8
433.09293	55.5
539.53528	2.5
583.12012	15.7
611.12054	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1262
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
63.08952	0.6
85.18603	0.6
95.65440	0.6
104.08965	0.6
125.55560	0.7
137.02443	0.8
141.29433	0.6
144.89027	0.6
151.00360	3.4
178.99860	5.1
242.02052	1.0
270.01724	5.1
271.02515	13.5
287.02014	7.5
288.02890	1.0
316.02264	100.0
317.02975	6.9
465.53552	0.6
591.12164	0.6
611.12640	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18984	0.9
59.22863	1.0
63.94129	1.1
69.57207	0.9
83.01360	1.2
109.02958	2.2
111.04512	5.4
121.11063	1.2
125.02441	65.5
137.02444	17.6
139.04013	14.4
164.01204	1.6
165.01950	17.3
167.03502	20.2
177.05518	1.9
179.03505	17.7
191.07140	1.3
201.05606	1.1
203.03513	1.8
204.04192	2.1
219.06622	14.1
221.04570	6.3
243.06496	1.6
261.07660	4.9
305.06686	100.0
543.24066	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	611.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
79.99566	0.6
83.01401	1.1
92.19454	1.8
95.05024	1.1
97.02934	1.4
109.02925	3.7
111.04504	6.4
123.00864	3.0
123.04517	0.9
125.02433	74.3
125.51186	0.7
135.04561	1.1
137.02441	17.3
139.04013	16.1
141.52307	0.7
151.04050	1.5
159.04543	1.0
159.72118	0.6
161.02383	2.4
164.01166	5.0
165.01936	20.7
167.03494	25.5
175.04013	0.8
177.01927	1.1
177.05550	4.1
179.02071	1.1
179.03499	18.9
191.07179	2.3
197.15742	0.7
199.04070	0.7
203.03529	2.9
204.04279	3.1
215.06953	0.8
219.06621	17.0
221.04536	8.7
226.76942	0.6
233.08081	0.7
237.07735	0.9
243.06616	1.2
261.07672	3.4
287.05548	0.7
305.06677	100.0
611.16241	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	611.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93213	0.6
59.61181	0.7
63.72042	0.6
72.99301	4.5
87.00869	13.5
122.02560	0.7
123.04518	44.5
123.05417	1.7
131.05003	0.9
149.06090	12.0
151.04028	0.9
161.02423	3.0
165.05579	26.9
175.03940	1.2
179.03456	4.4
188.90807	0.8
193.05038	17.3
195.02983	20.1
237.03999	1.4
255.05101	100.0
263.50528	0.8
346.57492	0.8
355.09982	0.9
403.17575	0.8
611.12726	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	611.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	96.0
72.22285	2.1
88.90821	1.9
89.02455	2.8
115.66424	2.3
116.03539	2.8
116.92856	100.0
117.05608	3.9
119.04999	10.5
121.02869	2.7
132.18137	2.6
141.69595	2.5
163.03952	18.2
183.29945	2.3
220.79919	2.2
465.26874	2.5
509.23288	2.3
551.25269	8.9
603.17169	2.6
611.31207	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	611.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81758	1.6
59.01384	4.4
62.76398	1.8
83.27502	1.8
87.87517	1.9
91.31308	2.0
93.03487	2.2
95.12537	1.8
109.02948	35.8
111.04523	31.9
125.02450	13.8
137.02452	13.6
138.03285	17.6
139.04015	54.6
149.02419	2.6
151.03995	2.8
154.98582	1.9
161.02325	2.2
164.01154	15.0
167.03525	4.5
177.01935	37.8
178.02682	2.1
179.03522	37.6
212.04803	4.3
242.05869	2.3
293.11847	4.0
301.03229	1.9
319.08185	20.8
385.07034	11.5
386.11594	4.3
397.10748	4.3
401.14166	3.1
412.13226	4.0
428.12387	3.2
431.14966	2.2
433.16583	4.5
439.11633	2.8
443.15024	9.3
471.14236	4.5
579.17047	3.7
583.20044	22.0
593.17944	3.3
611.19312	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	611.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33279	0.8
56.86287	0.9
65.49135	1.0
74.40856	1.0
123.04533	7.9
125.02413	2.0
151.06125	1.1
163.04088	1.2
167.03502	100.0
169.17426	1.1
181.05006	2.3
191.03500	21.4
209.04568	12.5
213.91772	1.0
221.04579	1.9
237.14899	5.9
281.13962	4.4
322.94983	1.2
329.04892	1.9
329.08826	51.6
480.27219	1.2
520.22351	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	611.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
85.80262	3.4
96.96022	4.2
109.02928	5.1
111.04507	6.1
115.77376	3.9
125.02441	5.4
139.04016	6.7
164.01137	3.6
177.01959	6.9
179.03523	6.6
319.08206	6.3
342.06726	3.9
406.11887	4.3
509.23962	36.4
583.20166	4.5
611.18475	25.5
614.08319	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	611.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11020	0.8
57.65865	0.9
59.01385	100.0
92.20119	1.3
108.32047	0.8
113.02436	0.8
116.92872	1.1
119.59055	0.9
137.02444	1.1
139.03981	1.3
164.01219	1.3
165.05580	0.8
179.03479	1.0
314.45126	1.1
384.78357	1.0
449.15775	3.3
564.76221	1.1
611.13965	1.3
611.32367	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	611.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19118	0.9
59.01384	100.0
59.47984	1.0
64.57156	1.0
72.67606	1.2
77.32745	1.1
92.83179	1.1
104.67538	1.0
110.77752	1.0
116.92831	1.2
155.10771	9.2
181.08688	1.4
199.09811	2.0
242.11163	1.1
269.64285	1.1
421.44498	1.1
479.18182	1.8
480.17957	6.1
496.69406	1.2
549.87158	1.2
606.66156	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	611.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
71.04220	0.5
75.46966	0.5
89.65453	0.5
93.03443	2.6
97.79508	0.6
119.05011	2.8
121.02952	1.2
133.02953	4.4
145.02951	19.3
149.02414	4.4
151.03966	2.5
163.04045	4.6
177.01929	100.0
186.72438	0.6
195.02977	0.9
269.21198	5.2
287.22382	4.7
432.22177	0.6
447.24115	2.1
465.25015	2.3
611.16034	6.6
611.28668	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78333	0.9
56.41828	1.0
59.01381	1.4
66.39572	0.9
72.77808	1.0
93.03466	1.8
100.99745	1.0
107.95470	1.0
119.05022	4.1
121.02979	1.4
133.03018	3.7
145.02968	17.7
146.48804	1.0
149.02412	2.4
163.03970	5.3
177.01930	100.0
182.62607	1.0
220.35207	1.1
269.21225	2.4
287.22198	2.6
447.23965	2.4
504.02820	1.3
611.28674	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3446
Annotation	Simplexin C
Peak:m/z	Relative Intensity
52.10213	3.0
59.01101	4.6
59.01384	100.0
78.67879	3.4
78.83192	3.0
85.81399	3.3
88.98813	3.6
95.27250	3.9
108.51839	3.2
125.02458	4.6
141.95601	3.8
154.53215	3.6
163.00336	4.5
164.01155	4.3
179.03593	3.4
230.46661	3.7
271.06076	4.1
491.29984	5.0
551.32245	16.2
575.15576	5.7
611.34656	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	611.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01141	8.3
138.55516	10.1
173.79706	9.1
199.14189	8.7
305.24786	100.0
535.40710	11.7
586.45343	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	612.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84979	0.6
61.98026	0.6
68.88062	0.6
98.61227	0.6
99.92570	3.0
116.92859	100.0
116.97234	4.2
117.01939	0.7
166.38939	0.6
255.12402	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	613.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58400	1.8
77.30753	2.1
84.58728	2.1
92.70889	2.2
96.04253	2.0
109.02940	14.3
111.59354	2.1
111.84450	2.5
118.68389	2.2
123.04515	5.4
125.02446	100.0
136.17104	2.0
137.02467	22.4
149.02451	4.1
151.03986	13.9
161.02448	30.3
161.06026	2.9
165.01933	5.3
167.03442	4.1
175.03954	11.1
177.01918	3.6
179.03493	16.8
187.04007	5.4
203.07167	17.3
205.05070	13.5
217.05048	2.6
229.05074	7.7
243.03017	3.2
245.08163	36.2
255.02989	3.5
256.03738	4.3
281.04449	8.6
287.05557	9.1
289.04187	2.8
289.07239	54.7
297.03955	3.1
305.06479	2.5
339.08673	9.1
407.07724	46.1
425.08893	57.5
451.10284	12.1
577.13556	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	4.5
59.38296	3.0
61.49186	3.2
63.52695	3.9
65.23184	3.0
73.10938	3.2
77.91530	3.6
94.52827	3.3
109.02934	7.6
123.04512	4.9
125.02438	100.0
126.14552	3.1
137.02441	23.3
151.03964	7.4
161.02435	26.2
161.06018	3.7
165.01871	7.2
167.03445	4.1
175.04002	5.5
177.01863	7.1
179.03564	10.7
187.03954	4.9
203.07124	13.1
205.05020	18.1
218.48152	3.6
229.05023	8.1
245.08160	35.0
255.02959	5.3
281.04462	5.4
289.07220	49.0
297.04025	4.1
339.08575	4.3
407.07709	45.2
407.96152	3.9
425.08829	60.8
451.10483	7.9
470.48984	4.2
577.13586	89.8
613.27106	5.6
628.16638	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	613.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84440	0.5
52.41161	0.5
53.93064	0.5
71.01381	11.0
73.70264	0.7
83.38869	0.7
88.98775	1.2
106.55404	0.7
107.48409	0.6
109.33437	0.6
115.00383	5.5
117.03442	2.5
121.02959	2.5
125.02369	1.3
130.46043	0.7
133.01349	0.9
134.03740	28.6
149.06033	8.6
172.96088	0.8
178.02676	4.0
193.05064	100.0
218.20630	0.6
218.56892	0.7
304.15738	0.7
309.06219	9.8
318.38953	0.6
384.09753	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	613.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74207	1.8
61.10466	1.9
64.85042	1.8
65.00327	4.2
67.74152	1.9
70.61658	2.0
92.48080	2.0
97.11696	1.9
101.88393	2.4
124.01644	9.7
139.04027	7.8
151.03983	4.5
159.23064	2.4
165.01971	21.1
167.03505	46.8
171.10347	3.2
181.58395	2.2
191.81688	2.1
195.03018	4.0
218.02164	3.0
226.02722	5.0
241.05098	24.0
253.01332	3.8
296.06921	13.6
306.05322	2.3
306.59641	2.4
320.06854	17.7
321.07675	30.9
322.04861	19.4
328.05750	4.8
335.09052	2.6
337.07211	22.3
345.07758	4.4
349.07068	3.1
361.07233	5.1
362.04288	11.9
364.05768	9.0
370.04810	5.2
371.05695	3.4
373.07108	3.5
374.04373	9.2
378.07440	3.9
385.07190	12.7
389.06689	49.9
396.04767	4.3
401.06702	11.0
403.08383	5.2
404.05450	5.0
406.06763	13.6
413.72601	2.2
414.03998	2.7
415.04697	9.2
417.06000	39.4
417.09946	35.8
421.09253	23.6
429.06442	15.1
434.06400	3.2
447.07141	49.2
449.08853	26.9
461.08896	9.6
477.08264	100.0
595.11896	4.3
613.13544	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1786
Annotation	Catechin 3',4'-di-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.94559	0.6
60.08312	0.6
66.93725	0.7
67.33888	0.8
70.76674	0.8
75.84144	0.7
77.51804	0.8
83.01347	0.8
97.02948	0.9
109.02956	13.0
111.04436	0.8
121.02968	1.0
123.04509	5.5
125.02431	16.2
137.02451	22.8
139.03941	1.2
144.76233	0.9
149.02431	4.0
151.04016	17.1
161.06064	3.7
164.01129	1.5
165.01944	6.8
167.03499	3.4
175.03983	1.3
179.03520	10.9
187.04037	3.3
188.04765	1.9
203.07167	18.0
205.05098	16.2
221.08252	1.4
227.07111	1.6
245.05705	1.8
245.08206	46.5
247.06151	1.4
271.06311	1.2
289.07202	73.8
356.71417	0.8
451.12512	100.0
459.72223	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	613.1932
Annotation	Arborside A
Peak:m/z	Relative Intensity
59.01381	7.6
70.90565	1.3
88.98800	2.0
89.02426	2.3
96.42918	1.4
97.02914	1.6
102.84436	1.4
109.02946	18.1
116.92876	1.7
121.02953	1.5
122.03705	1.9
123.04492	11.7
123.41772	1.4
125.02435	15.6
134.03751	3.5
135.04539	2.1
137.02466	13.0
139.04050	6.8
149.02412	11.2
149.06065	14.4
151.03987	16.1
161.02423	6.5
161.06108	3.0
162.03212	1.9
163.04010	7.5
164.01103	2.4
165.01913	7.3
165.05493	1.8
175.04062	6.1
177.02003	3.7
179.03442	7.8
187.03963	3.0
191.03502	9.3
202.06380	1.8
203.07059	12.7
205.05058	23.6
213.05672	3.2
215.07135	19.3
245.08208	25.7
257.08252	5.4
271.09729	3.5
289.07178	33.5
299.09262	16.8
300.02808	2.1
301.03467	3.1
301.07187	13.4
302.03622	7.2
303.03763	3.6
315.08716	8.5
323.09039	2.8
399.29587	1.6
451.14069	100.0
451.20331	3.2
461.14438	3.1
613.19336	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1939
Annotation	Arborside A
Peak:m/z	Relative Intensity
56.81604	0.7
59.01377	6.9
59.74256	0.8
61.28776	0.8
71.01360	4.1
73.02931	1.4
83.01382	3.4
85.02891	0.9
89.02434	1.3
97.02933	4.2
98.50478	0.8
101.02431	1.4
108.02170	0.9
109.02944	18.3
113.16607	1.0
121.02921	2.1
122.03684	5.7
123.04513	13.2
125.02446	9.1
134.03766	6.8
135.04520	4.2
137.02443	16.6
139.03990	6.0
145.02986	1.1
146.03735	1.8
147.04413	1.3
149.02455	14.3
149.06058	8.8
150.03142	1.0
151.04004	19.0
159.04469	1.5
161.02399	7.7
161.06032	5.9
162.03236	1.8
162.06911	1.0
163.03983	8.1
163.07639	2.1
164.01178	1.7
165.00604	1.0
165.01924	17.3
165.05518	2.1
167.03477	1.1
175.03960	3.5
175.07675	1.5
177.01929	1.8
177.05600	3.2
177.09155	1.9
177.15424	0.9
178.02711	1.2
179.03508	10.9
185.06003	1.7
186.06705	1.3
187.03990	1.4
187.07613	2.0
188.04794	2.0
191.03563	6.2
197.06108	1.1
201.05548	1.6
201.09181	1.1
202.06337	1.8
203.07164	18.7
205.05080	25.8
206.87773	0.9
213.05449	4.7
215.07156	17.6
221.08272	1.4
225.11302	1.0
226.92937	0.9
227.07140	3.3
229.05048	1.5
231.02870	1.6
241.08640	1.0
245.08186	20.8
247.06075	5.9
255.10355	1.1
257.08057	3.7
271.06012	1.0
271.09760	2.2
283.05960	1.0
285.07608	1.5
287.09314	1.8
289.07184	30.4
299.09192	4.1
301.07169	17.9
315.08615	6.0
327.08707	3.2
334.87616	0.9
407.14737	1.9
451.14001	100.0
493.24139	1.2
613.19183	53.0
613.26398	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	613.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97459	1.1
56.24218	1.4
61.98466	1.2
74.22992	1.1
83.01376	2.9
88.98808	1.8
90.21427	1.1
97.02938	6.1
102.46106	1.2
106.57533	1.3
109.02970	12.5
115.67603	1.2
121.02910	2.0
122.03738	14.8
123.04504	13.6
125.02425	7.2
137.02461	15.8
139.04028	2.0
143.68735	1.3
149.02428	11.4
151.04012	7.0
159.07738	1.6
161.02405	3.1
161.06044	10.5
162.03206	2.7
162.06898	2.2
163.04016	8.1
163.07642	9.3
164.01147	2.5
165.01913	22.6
165.05591	2.1
175.03918	5.0
177.05542	2.2
177.09209	8.7
179.03508	3.2
183.64572	1.2
186.06857	2.3
187.03958	2.2
187.07649	8.5
188.04820	1.8
190.02876	1.4
201.09219	5.6
203.03506	2.0
203.07156	13.4
205.05081	23.6
229.04945	5.2
231.02960	2.0
241.08641	1.8
242.09421	2.0
243.10266	2.6
245.08194	7.6
247.06096	9.0
284.06854	2.0
285.07751	2.6
287.09357	2.3
289.07208	7.5
299.09290	5.3
301.10764	1.5
327.08817	8.2
341.10425	2.2
407.15070	5.6
451.14011	100.0
501.65619	1.4
585.63959	1.3
613.19385	69.8
613.29535	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	613.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99425	1.2
52.61225	1.1
55.73544	1.3
88.98794	5.8
93.83346	1.4
97.02953	3.1
108.02206	1.6
108.44556	1.2
109.02968	13.7
121.02920	5.3
122.03723	7.4
123.04511	13.5
125.02438	2.3
135.04514	2.8
137.02467	13.5
146.03629	1.8
147.04488	1.6
149.02432	7.5
149.06001	4.7
150.03227	1.8
151.03973	8.9
161.02435	5.3
161.06064	7.6
163.04012	3.2
163.07738	2.3
164.01184	2.7
165.01933	16.2
165.05566	1.8
175.02509	1.4
175.04053	1.3
177.01903	5.6
179.03441	6.2
187.04001	1.8
188.04781	2.7
191.03502	8.2
201.05551	2.6
203.07166	14.0
205.05055	20.0
215.07149	2.5
227.07069	2.5
229.05060	2.7
242.09528	1.6
243.10242	1.9
245.08238	5.5
247.06134	6.0
269.49399	1.5
271.09738	2.5
283.09744	2.1
285.08044	1.7
289.07379	2.0
299.09164	5.0
327.08789	4.9
329.75534	1.4
407.15149	3.2
451.14020	33.5
461.14532	1.6
613.19360	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	613.2105
Annotation	Isocalycopterone
Peak:m/z	Relative Intensity
53.05457	5.9
55.72862	5.6
59.01382	55.8
64.53999	5.5
121.02944	70.2
129.51045	6.7
139.04024	13.0
262.77530	6.9
301.34528	7.3
326.56973	7.6
351.02170	6.8
427.12454	12.1
613.20770	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	613.2301
Annotation	C11829
Peak:m/z	Relative Intensity
59.01388	37.2
78.38322	1.1
88.98762	1.3
93.92007	1.0
96.68987	1.2
98.34917	1.1
116.92923	8.2
121.02916	7.3
122.03714	1.5
135.04543	1.9
139.04070	1.6
143.91808	1.1
147.49345	1.1
151.04042	1.4
152.33104	1.1
163.03844	1.3
180.07915	10.2
181.08707	2.9
183.21649	1.2
191.07230	1.4
192.07893	2.7
193.08710	2.9
194.05811	2.2
195.06587	2.2
209.08160	5.0
212.06883	4.6
226.81969	1.4
285.11484	1.3
314.11679	7.7
317.13998	52.4
329.13983	31.1
347.15024	100.0
391.21439	1.9
466.04898	1.4
538.15729	1.5
553.26617	7.0
598.34393	1.4
613.22980	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44476	5.6
57.99267	5.6
60.11598	5.4
60.13217	5.9
68.90061	6.7
72.91016	6.9
87.12276	8.7
90.96718	6.3
96.36512	6.8
101.54436	6.2
108.09496	6.6
116.21218	6.5
129.04059	7.3
165.12865	9.0
170.57970	7.6
273.22214	9.9
317.21289	100.0
390.70435	7.1
406.22470	6.9
410.46198	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	613.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41648	2.4
59.01108	2.6
59.01387	71.1
59.01680	2.8
68.03039	2.2
69.67356	2.3
71.01379	4.5
89.02429	4.6
97.47723	2.3
102.09686	2.5
102.59868	2.4
109.80065	2.7
121.02892	4.4
121.06617	2.9
123.04540	2.3
137.06047	11.4
149.06047	5.0
165.09222	9.5
167.07176	3.4
191.05664	3.4
209.08098	3.0
274.22137	2.7
291.24228	2.4
413.21490	4.5
525.23395	100.0
567.25037	2.9
613.28290	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	613.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89294	3.7
59.01389	100.0
62.48990	3.5
63.99469	3.4
75.02276	3.8
92.20146	7.9
128.83275	4.2
151.63647	4.7
179.07120	10.4
197.08199	6.0
209.08200	4.5
235.58742	5.0
297.42514	4.2
331.50052	4.1
407.54895	4.4
508.52118	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	613.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99145	2.2
55.84685	2.3
59.01387	48.5
65.06046	2.4
68.47319	2.1
69.07906	2.1
71.01385	22.9
73.02953	3.2
77.07395	2.3
78.15479	2.6
85.02921	4.2
87.00876	2.8
89.02457	25.5
96.95997	2.7
97.69291	2.2
99.00884	2.8
101.02414	25.5
102.25091	2.6
110.81817	2.3
113.02450	12.0
116.92827	5.7
119.03442	3.2
121.02942	11.8
125.02430	3.0
136.99071	5.1
175.00238	2.5
231.29202	2.5
241.73291	2.3
251.05513	2.5
313.18011	3.6
351.84735	2.6
475.23404	2.7
542.23138	2.8
553.26910	5.0
577.28723	100.0
613.17365	3.2
613.26642	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57681	2.9
58.56084	2.5
59.01375	15.4
66.96358	2.9
80.74908	2.9
84.83273	3.2
121.02951	100.0
171.17931	3.1
241.41530	3.5
329.97214	2.9
363.17810	3.9
370.05017	3.4
372.08194	3.8
613.12939	5.9
635.91425	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	613.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44328	0.5
53.77317	0.6
59.01384	1.0
64.46033	0.6
77.03973	0.7
121.02954	100.0
124.57491	0.6
268.05258	0.7
410.26752	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	613.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
72.71812	82.2
83.81721	82.9
87.21412	72.3
103.15473	72.2
340.43906	80.6
430.21255	100.0
471.49683	79.1
485.39835	90.3
554.15021	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45591	68.7
55.96483	79.4
58.49729	77.7
61.40431	71.0
78.15200	86.0
83.62457	84.5
99.63230	93.5
133.90501	83.5
195.04100	81.3
275.84784	80.5
575.39948	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	613.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80893	76.6
60.96851	61.4
63.85597	69.5
65.97688	69.6
82.32617	79.3
106.05543	100.0
150.92941	82.0
197.02777	80.9
472.61484	80.9
492.83463	83.3
551.28156	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
73.89450	17.7
99.22540	17.3
109.80978	18.4
124.24451	17.3
297.24484	24.9
389.68335	22.8
454.95328	24.7
613.30396	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	84.8
66.33922	15.6
69.05232	14.9
108.06506	18.9
121.02956	100.0
130.42648	19.1
131.75058	18.7
162.96333	21.3
170.70570	18.1
185.75041	16.4
219.75563	19.8
464.23831	20.5
570.07104	17.2
571.25488	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87739	1.3
58.90327	1.5
59.01387	100.0
61.51852	1.4
63.43684	1.5
71.22369	1.7
81.81938	1.5
91.46874	1.4
92.62173	1.8
101.02468	1.7
108.17852	1.5
116.92857	10.0
121.02942	15.0
123.04562	1.8
135.04526	7.6
150.34404	1.8
165.01970	2.0
180.07913	6.6
181.08682	2.3
193.08719	2.4
212.06667	1.8
295.15207	1.7
314.11438	2.6
317.13928	23.4
329.13956	12.0
347.14972	56.7
378.67371	1.9
523.25537	6.3
553.26398	3.6
613.23431	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	613.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73214	0.6
59.01384	100.0
89.62508	0.7
109.06696	0.8
113.97482	0.7
116.00251	0.7
129.07872	0.7
135.39249	0.7
281.66791	0.7
523.25604	2.6
553.26636	6.9
628.95044	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	613.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72645	1.6
52.99460	1.6
53.04481	1.8
55.20721	1.7
58.97269	1.6
59.01385	100.0
59.01682	3.6
61.84515	1.7
68.00978	1.6
68.17274	1.7
77.96297	1.9
81.03456	9.3
82.34824	1.9
99.04510	2.5
111.04539	2.3
123.08218	2.3
221.11803	3.3
243.14008	4.0
255.13782	2.8
283.17020	3.3
301.18283	3.0
313.18222	4.6
315.48444	2.1
373.20038	2.8
391.21228	12.6
511.25455	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
75.40646	0.5
75.96593	0.5
76.70615	0.4
88.98819	0.7
89.02449	0.6
116.92897	1.1
123.08163	0.6
144.96214	0.7
180.77109	0.4
188.95227	1.1
214.30637	0.5
346.03339	0.6
482.16745	0.5
523.25665	1.0
553.26703	4.4
585.58191	0.6
613.32141	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	613.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40182	0.7
57.04869	0.7
58.78427	0.7
59.01385	100.0
61.32689	0.7
71.89869	0.8
92.20020	1.4
120.54890	0.8
134.40698	0.8
140.15192	0.9
159.35439	0.9
191.93990	0.8
243.83849	0.8
523.25500	1.8
553.26276	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	614.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94027	0.7
61.98839	18.7
78.99476	0.9
83.71140	0.9
90.97388	0.9
91.56750	0.9
94.24448	0.8
117.03433	1.9
122.46381	1.0
129.53369	1.0
151.00356	5.6
165.40720	1.0
374.04343	8.6
389.06769	9.5
401.03040	6.3
411.05011	1.1
413.06625	1.4
416.05240	1.5
423.09076	1.1
431.07831	5.9
433.07266	1.3
451.08237	8.6
475.08276	4.1
493.05688	1.7
519.07227	57.7
551.09882	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	614.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11002	0.8
59.01387	16.3
60.01717	1.4
61.01799	1.0
61.98835	100.0
72.22250	0.8
92.20039	1.4
96.81360	1.0
127.71475	0.9
135.69424	0.8
143.53046	0.9
190.46078	1.0
246.75421	1.0
353.33536	0.9
407.84207	1.1
432.90201	1.0
486.15900	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	615.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69847	0.4
59.01381	1.8
61.25715	0.4
71.01382	9.9
89.02425	0.5
100.11423	0.4
115.00372	6.2
119.05012	30.1
119.05866	1.0
122.16944	0.5
123.89378	0.4
135.04515	1.1
163.04002	100.0
179.03500	3.0
261.20468	0.4
278.70758	0.5
279.05106	14.4
335.07663	1.8
391.06375	0.5
489.53275	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	615.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68940	2.2
57.03436	3.3
59.16424	2.4
81.03470	3.6
83.01400	13.3
95.05025	4.8
109.02949	31.3
121.06582	36.5
123.04478	11.2
125.02435	54.6
137.02429	15.6
139.03966	6.8
145.06581	11.9
147.04532	12.1
147.08139	11.6
149.06085	14.6
151.04027	4.5
161.02403	6.0
161.06131	3.0
163.07655	49.4
164.01163	29.2
165.01952	20.2
165.05611	6.3
165.09193	6.4
167.03494	69.7
173.06079	15.4
175.04007	6.1
177.01874	14.9
178.33792	2.9
181.08725	4.9
187.07619	19.7
189.05597	14.1
189.09166	4.3
191.07147	22.9
207.06680	3.5
215.07190	54.4
215.09128	7.9
231.06621	85.4
233.08185	45.0
233.50345	3.1
243.02960	4.7
245.08112	4.4
249.07674	81.4
255.02954	4.1
256.03677	3.6
257.04590	6.1
259.06119	19.5
273.07629	14.7
275.05603	4.4
277.07278	24.4
285.03879	10.0
291.08804	3.6
293.06723	6.1
315.92407	3.8
321.06186	44.5
351.08801	4.0
365.10245	3.8
383.11371	3.3
399.20328	5.2
401.12698	4.1
427.10187	3.5
445.11407	5.5
457.07654	13.4
468.96906	3.3
571.14636	26.0
597.12518	16.5
615.13696	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	615.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
81.03470	1.1
83.01382	1.0
95.05014	1.1
97.02950	3.3
109.02950	22.3
112.79944	0.8
119.05016	15.9
120.88415	0.7
121.02898	0.9
123.04518	11.5
125.02428	19.5
125.03338	1.0
135.04556	1.2
137.02435	9.9
139.03976	1.5
149.02443	5.7
151.04013	12.4
159.04495	1.2
161.06100	5.3
162.03253	1.0
163.04015	29.5
164.01151	3.3
165.01900	4.7
167.03500	3.2
175.04019	4.1
175.07672	1.0
179.03557	7.8
185.06273	0.8
187.04057	5.5
188.04834	4.1
202.06395	3.1
203.07150	18.1
205.05092	12.2
221.08301	5.6
227.07169	3.3
233.04521	3.3
245.08177	25.8
245.10672	1.3
271.06177	1.1
289.07184	100.0
325.09476	7.5
385.93875	0.8
452.08710	0.8
537.50128	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	615.1731
Annotation	Heme
Peak:m/z	Relative Intensity
51.71056	1.7
52.10273	1.5
59.01374	8.1
67.41441	1.8
71.28017	1.7
75.68538	1.8
86.57603	1.6
91.05535	2.2
92.19496	2.2
93.03445	7.7
97.02943	2.2
97.81291	1.7
115.37033	2.4
115.86426	1.8
116.92828	3.3
122.03719	4.5
123.04554	3.5
124.01653	3.4
133.18900	1.8
135.04532	7.6
137.02420	9.3
138.03204	1.9
139.04016	12.8
142.32233	2.1
151.04076	3.5
152.01198	2.5
152.47208	1.9
161.06070	2.3
165.01929	23.2
167.03493	57.0
179.03485	3.9
187.03984	2.4
192.00603	2.1
197.97708	1.8
203.07092	3.8
205.05075	8.4
220.07359	2.1
235.09857	2.4
245.08221	7.8
247.06055	2.5
252.04248	3.3
267.06619	18.8
281.04419	3.0
283.02600	4.6
285.04019	28.4
285.07162	3.1
289.07208	3.1
295.02579	2.7
299.05652	17.3
309.04224	2.6
327.05136	7.8
327.53125	2.1
387.05194	2.4
389.10556	2.1
403.08325	17.1
417.09744	7.0
435.10944	18.2
571.76825	2.5
597.16211	3.6
615.17609	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	615.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44919	0.9
58.02620	0.7
74.23264	0.9
85.73799	0.8
86.35240	0.8
93.03466	4.4
98.51416	0.9
100.68216	1.0
109.02939	8.8
123.04530	9.1
125.02402	1.8
137.02393	1.0
145.02975	7.5
151.04004	6.2
177.01932	24.9
177.03346	1.7
187.04008	2.0
187.92744	1.0
188.04765	1.1
189.01944	26.5
190.02702	6.1
191.03522	6.8
203.03505	3.8
203.07091	1.5
205.05167	1.2
216.00595	5.0
217.01428	42.0
218.02246	4.7
219.02972	18.9
227.07155	1.4
229.05182	1.0
231.02998	17.7
232.03876	1.1
234.77267	1.1
245.08165	1.6
271.06036	4.4
281.04605	6.4
283.06165	3.8
286.90958	0.9
289.07190	5.5
297.07672	4.7
306.97171	1.0
311.05551	5.2
323.05563	4.3
341.06674	78.8
435.10898	100.0
615.11133	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	615.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96011	1.8
54.26876	1.8
56.08679	1.7
59.01366	2.9
61.98843	2.6
64.07098	1.7
84.73801	1.9
85.34924	1.9
88.98788	9.7
89.02410	9.9
97.02925	7.6
108.02180	2.4
109.02938	23.5
110.40771	1.8
111.23685	1.9
120.14659	1.9
121.02964	69.7
122.03693	9.8
123.04526	16.6
125.02464	18.7
135.04521	2.2
137.02457	27.0
138.03175	2.5
139.03972	3.6
139.81783	2.0
145.02980	2.5
149.02417	4.5
149.06081	3.0
150.16039	2.0
151.03961	11.2
161.02438	2.7
161.06056	8.0
163.07658	3.0
165.01888	34.7
165.05585	7.7
177.05466	3.2
179.03488	12.7
187.03993	3.9
188.04785	4.2
202.06406	3.1
203.07159	23.6
205.05069	29.4
212.49220	1.8
217.08528	1.9
220.07375	3.9
245.08218	35.3
247.06010	2.9
266.61893	2.4
285.11130	2.5
288.99738	2.2
289.04175	3.7
289.07214	73.5
301.10834	3.5
329.10254	9.4
358.23123	2.3
361.16504	7.5
409.16650	3.2
451.12482	9.4
453.15579	43.7
493.20499	12.6
615.20807	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	615.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
59.94275	2.2
66.16849	2.0
66.26938	2.4
73.63979	2.0
89.02431	2.3
93.03436	2.6
97.02966	5.2
108.88374	2.1
109.02943	11.5
116.92874	2.7
121.02971	3.8
122.03706	9.3
123.04507	8.9
124.01628	2.2
125.02454	4.5
135.04599	3.7
135.84901	2.1
137.02446	12.7
139.04022	12.5
149.02335	4.1
151.03937	4.7
161.02307	2.5
161.06024	3.7
164.01140	2.8
165.01929	35.8
167.03473	32.1
179.03487	5.0
198.41292	2.3
203.07159	9.9
205.05119	21.2
235.09584	3.4
244.07397	3.7
245.08156	13.6
247.05995	2.8
267.06592	13.2
271.06448	2.6
284.96002	2.6
285.04059	14.1
289.07220	10.1
299.05524	12.1
387.04788	2.6
403.08377	4.1
405.14243	2.5
409.16867	2.8
417.10037	3.3
453.15796	3.5
588.33789	2.3
615.20984	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	615.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56744	4.0
54.31348	4.3
56.78193	4.1
61.98832	74.3
78.04016	4.4
81.63779	4.5
106.25286	4.4
121.02927	34.2
143.50281	4.3
262.42160	5.3
276.51904	5.6
323.18320	4.8
325.00912	4.3
491.89282	5.5
526.49286	5.3
607.17883	5.6
615.22180	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	615.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	5.1
59.01384	100.0
101.02423	2.9
121.02959	13.0
121.40599	2.5
122.32513	2.4
125.33392	2.5
141.17308	2.6
195.10307	2.8
197.02483	2.8
417.22815	52.9
451.21921	5.3
615.25354	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07193	0.6
59.01386	100.0
84.61292	0.8
92.19489	1.6
121.02943	12.0
133.78879	0.7
135.03041	0.8
141.13210	0.9
141.90564	0.7
149.47783	0.8
159.02434	0.8
162.37466	0.9
174.19585	0.9
201.96143	0.9
281.66931	0.9
281.69983	0.9
413.26337	0.9
484.98318	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	615.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.4
59.01386	100.0
68.14960	3.0
68.81570	2.6
70.42216	2.6
92.54047	3.1
170.44087	2.7
322.12180	31.8
323.12799	3.4
555.27826	22.6
615.29462	4.4
633.15356	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	615.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21456	1.2
56.38930	1.5
59.01384	100.0
70.15408	1.2
71.01376	32.5
73.02938	6.1
77.12910	1.3
78.08479	1.3
83.01391	1.5
85.02950	7.6
87.00872	2.9
89.02439	38.0
95.01373	1.9
98.38921	1.2
101.02445	27.7
113.02438	19.4
119.03490	12.2
135.04474	1.4
151.06810	1.2
155.10817	1.7
161.04544	6.9
167.07146	6.3
179.05632	7.5
204.40318	1.3
231.13913	8.0
333.20657	1.8
351.21915	1.7
416.60114	1.8
444.65100	1.5
495.26019	69.7
513.27057	19.2
555.28143	58.7
555.36102	1.4
597.82623	1.5
615.31091	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	615.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39927	1.5
58.18604	1.7
59.01384	100.0
63.03244	1.5
63.79361	1.8
67.23786	1.5
71.01389	6.8
71.42313	1.6
89.02435	7.8
101.02431	7.9
113.02467	3.5
125.02431	3.1
161.04541	11.7
179.05582	3.5
315.19379	2.1
333.20825	8.5
383.45526	1.8
410.38324	2.0
495.26193	9.7
555.28217	11.9
579.15460	2.7
615.30341	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	615.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32048	0.8
59.01377	7.1
71.01391	1.4
95.93195	0.8
100.88329	0.8
101.02426	1.3
127.08942	0.9
135.21057	0.9
137.09723	5.7
152.52632	0.8
155.10783	100.0
165.31662	0.9
173.88869	0.8
191.05637	1.7
199.09769	53.6
206.16866	0.9
260.68964	0.9
335.40402	0.9
338.94360	0.9
362.58115	0.9
441.46805	0.8
615.31061	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	615.3678
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
53.59407	5.0
56.84610	5.9
56.84877	6.6
59.05469	5.6
62.37123	5.8
71.76389	6.1
78.95911	48.6
85.85551	7.3
96.67819	5.9
99.81699	6.5
150.61476	5.6
152.99609	63.1
168.79620	6.0
195.13918	6.5
200.55203	5.8
223.13387	38.7
235.03917	6.3
240.46109	7.1
255.23328	100.0
281.24673	6.5
349.17749	6.1
391.22348	24.4
404.31396	6.0
520.05267	7.9
570.50861	6.5
578.07715	6.6
582.99713	7.4
615.36603	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1306
Annotation	CHEBI:65389
Peak:m/z	Relative Intensity
52.26548	0.9
64.03776	1.1
65.00327	1.2
67.33790	1.0
81.62228	1.1
109.02959	9.9
123.17208	1.2
125.02431	9.9
134.03740	2.2
135.04535	1.6
137.02437	44.2
139.04018	13.0
151.00394	1.6
151.04028	2.1
153.01952	2.5
163.00337	4.9
164.01172	5.8
165.00566	2.6
165.01927	69.4
169.01488	2.0
178.02769	4.7
179.03479	8.4
183.02986	2.2
185.45988	1.1
190.99821	5.0
193.01385	2.6
207.03017	1.3
257.04547	1.5
267.06647	1.4
269.01074	1.3
269.04480	2.5
270.01663	1.6
271.06006	4.9
273.07712	2.2
283.02420	6.3
285.03973	5.9
285.07401	1.8
295.86691	1.2
298.04718	1.3
299.05658	2.3
312.02740	9.2
315.05179	2.2
316.02151	5.7
329.06638	12.7
331.04626	18.4
331.08337	1.8
375.08786	1.6
419.07947	1.5
451.10706	2.3
465.11755	1.6
483.09317	12.7
585.10352	12.1
617.13062	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	617.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04414	1.4
60.02710	1.5
67.91586	1.6
70.78896	1.7
79.43397	1.4
83.51026	1.3
88.32342	1.8
109.02940	13.5
121.02951	23.4
123.04499	6.0
124.01600	2.3
137.02438	6.4
139.04022	26.1
149.02408	9.7
150.03220	7.3
151.04010	10.3
153.01840	1.7
161.02437	28.5
165.01924	64.9
167.03537	2.9
175.00194	2.0
179.03616	1.9
193.01364	8.0
229.99324	1.5
245.04532	2.4
256.03796	3.1
257.04483	2.6
269.04440	6.5
270.27838	1.9
271.02524	2.7
271.06097	12.0
273.07657	2.3
281.04504	2.3
283.02444	8.5
283.06021	3.7
285.04007	13.5
295.02457	3.2
296.03296	2.0
297.04010	2.3
299.02313	2.0
299.05688	7.6
300.02792	15.1
301.07272	2.5
311.01981	3.3
312.02585	13.7
313.03549	6.8
313.07065	2.8
315.05133	38.8
325.03455	8.3
327.04977	2.5
329.06686	16.7
331.08240	7.9
364.07175	1.8
419.03888	3.0
433.05984	2.6
435.07489	6.1
465.08231	6.0
467.09647	20.8
585.10425	15.3
617.13141	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	617.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
65.00330	3.6
65.33232	1.4
71.01384	1.8
72.43097	1.6
91.25086	1.4
97.02951	6.7
109.02955	71.5
116.13365	1.6
121.02944	1.6
123.00867	1.6
139.03995	2.2
151.04051	2.1
153.00772	3.4
153.01944	60.8
163.00371	1.7
165.01935	100.0
166.02760	1.7
167.03499	16.7
178.02777	2.4
179.03477	4.0
190.99933	2.2
193.01439	1.8
198.05370	1.7
221.00832	2.5
257.19608	1.7
269.04547	2.7
271.06158	3.7
283.02530	9.8
285.04010	6.7
287.05444	3.3
296.03342	6.0
297.04092	3.2
298.00958	1.7
331.04697	7.4
380.19446	1.8
451.10373	8.9
463.54703	1.8
479.10156	6.0
507.09396	2.9
617.13373	35.9
617.22784	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	617.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46238	3.9
59.29560	3.7
65.27367	4.4
75.38073	3.9
81.15782	5.2
83.01400	10.8
97.03004	4.2
109.02986	41.3
121.47788	5.2
123.04533	36.3
125.02458	17.0
133.06572	9.6
139.05930	4.9
147.04491	4.7
149.02429	31.0
151.03998	31.6
155.13589	4.4
157.06593	20.2
159.04614	6.7
161.02455	37.8
162.03204	5.0
163.04028	26.6
179.03448	4.9
187.04059	8.1
201.05673	7.2
203.03548	7.9
203.07153	21.1
205.05096	37.8
210.41953	4.7
213.09215	4.7
229.05139	9.1
231.02876	5.0
245.08162	24.3
247.06114	10.8
255.06700	40.2
257.08200	36.0
267.06671	6.2
269.07977	4.3
289.07166	61.5
295.06250	6.8
296.06787	18.0
297.07666	10.1
407.11453	43.7
419.11456	98.1
437.12479	97.8
617.18970	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	617.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.3
71.01356	2.6
76.75207	1.7
83.01373	3.7
95.05003	3.3
97.02943	3.9
109.02934	19.6
113.92538	1.7
116.20161	1.6
122.31065	1.7
123.04497	9.4
125.02423	14.4
133.31802	1.8
136.39893	1.8
137.02429	6.5
139.03993	3.8
139.07619	1.8
149.02399	8.0
151.03995	9.4
161.02463	14.3
161.06067	7.3
162.03165	2.0
163.04028	7.3
164.01178	2.3
165.01950	7.5
175.04036	2.0
177.01857	3.3
177.03406	1.7
179.03496	12.0
181.05049	24.2
187.04022	4.2
188.04745	2.3
201.07722	1.9
203.07207	15.4
205.05066	16.8
220.03777	8.9
221.08171	2.6
227.06993	3.1
231.02934	2.1
245.08162	33.4
255.06630	3.8
257.08173	6.7
264.43369	2.1
267.06650	2.1
289.07217	53.8
295.06085	2.3
296.07095	1.8
297.07614	2.1
343.08136	1.9
419.11322	9.3
523.14288	6.9
617.18793	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	617.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65515	4.1
71.01373	4.7
76.47312	4.0
83.01389	20.3
109.02925	41.5
121.02890	6.6
123.04541	34.1
125.02430	23.3
133.06587	20.3
137.02426	7.4
138.28218	4.9
139.04044	5.0
147.04474	5.6
149.02385	20.2
151.03992	19.7
157.06590	8.2
159.04474	6.1
161.02495	36.4
161.06087	8.2
163.04022	23.4
165.01907	9.4
173.05968	5.0
175.03897	5.6
187.04039	4.9
201.05582	6.2
201.31282	4.5
203.03436	5.6
203.07124	16.0
205.05078	50.3
227.07080	5.8
229.05119	9.0
231.03015	5.0
245.08174	24.6
247.06093	18.4
255.06613	38.2
257.08154	30.3
267.06509	9.7
269.08020	6.3
289.07184	60.5
295.06091	9.7
296.06934	8.2
313.07401	5.9
363.12299	5.5
407.11307	38.0
419.11374	100.0
437.12405	77.5
580.16571	4.7
617.19153	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78674	0.8
55.13032	0.8
57.03419	1.4
59.01108	0.9
59.01384	19.0
61.42657	0.9
61.98844	1.2
69.21810	0.8
71.01388	7.9
73.02950	1.7
83.01375	1.3
89.02431	11.3
101.02434	7.5
113.02424	4.2
119.03503	2.0
121.02905	5.5
122.03329	1.1
125.02435	19.8
133.01424	0.9
133.28731	1.1
137.02441	21.3
151.00302	1.1
165.01912	20.2
167.03499	6.8
188.04802	14.6
201.05559	3.6
204.78664	1.0
211.04053	1.2
216.04285	2.2
225.05580	1.1
226.06335	2.1
241.08678	1.7
243.10237	4.5
253.08621	1.6
261.11136	1.8
265.08560	1.3
269.08115	4.7
271.09555	1.5
289.10806	3.6
301.10681	1.0
333.11386	1.1
411.27423	1.7
423.11530	1.7
423.16629	21.3
449.14459	1.5
451.16144	19.4
473.14355	1.0
479.15674	8.4
503.19196	1.2
513.17468	1.2
530.70081	1.0
531.18567	4.1
555.18787	2.2
599.17792	8.9
617.18768	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	617.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46070	1.1
51.82362	1.2
54.23418	1.1
59.01379	21.7
71.01376	8.0
73.02909	1.5
83.01374	1.7
89.02460	11.7
91.33714	1.3
96.00952	1.1
96.95982	5.3
96.96967	1.9
101.02472	9.1
113.02426	4.9
116.92834	7.9
119.03554	1.7
121.02950	8.3
123.04513	2.9
125.02413	18.6
137.02437	12.9
165.01953	20.0
167.03445	6.9
188.04811	15.1
201.05566	6.2
216.04214	2.6
243.10339	6.1
244.08504	1.5
265.08383	1.6
269.08105	3.2
271.09662	2.3
289.10693	1.7
292.07431	1.4
333.11496	1.3
385.59644	1.7
423.16644	20.1
446.24268	1.4
451.15979	15.5
473.14413	1.5
479.15723	5.9
497.27484	1.8
503.19312	1.4
599.17670	7.6
617.18823	100.0
617.28662	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	617.2421
Annotation	Tiegusanin H
Peak:m/z	Relative Intensity
50.94939	0.8
51.21788	0.9
59.01367	5.8
63.41564	0.8
65.66670	0.9
69.20378	0.9
71.01380	1.4
75.00841	1.0
76.01093	1.1
81.03432	1.5
89.02447	2.5
92.19438	1.9
95.04935	1.3
96.95983	1.4
97.02942	4.6
109.02947	16.6
121.02913	5.2
122.75237	1.0
123.04500	10.0
125.02438	20.7
127.57381	1.0
135.04486	2.0
137.02429	16.1
139.04019	2.4
149.02405	6.5
150.05533	1.1
151.03989	9.4
151.07619	4.4
155.10741	10.7
156.11107	4.6
159.04486	2.2
161.02379	1.7
161.06094	9.1
162.03215	2.0
163.04033	1.7
164.01001	1.3
165.01923	9.5
167.03506	4.8
175.03964	4.3
175.07616	1.3
179.03508	14.3
187.03960	6.2
188.04706	4.4
191.03520	1.3
199.09746	6.2
200.10075	1.3
202.06293	2.4
203.07144	26.2
205.05054	19.9
221.08099	4.4
227.07039	4.4
231.02994	1.8
243.07765	1.5
244.08665	10.9
245.08083	37.7
247.06090	2.4
289.07187	93.7
301.10721	2.5
315.08908	4.7
327.15872	4.9
351.10785	1.1
353.12631	1.2
376.90991	1.2
454.19769	7.1
497.27185	1.5
599.25690	1.4
617.24097	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	617.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29527	0.3
89.87509	0.3
123.92659	0.3
137.97290	0.3
147.37489	0.3
280.11038	13.1
308.10538	8.1
323.12891	100.0
417.14603	0.3
600.38318	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	617.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
71.83526	1.7
84.94336	1.7
94.97339	1.8
103.92008	2.1
106.92174	2.1
108.00555	1.8
116.92879	3.1
121.02953	100.0
137.02440	3.1
150.05551	4.2
154.05142	2.0
161.04848	2.0
164.03522	2.4
165.01839	2.5
174.04312	9.1
181.08659	2.5
190.07570	3.7
212.75021	2.0
231.07742	3.4
232.08540	19.4
233.09212	2.5
239.11940	14.8
244.08543	3.3
257.83969	2.0
299.14102	2.6
308.17661	11.9
345.14972	3.1
360.17163	3.6
362.18686	19.8
380.19757	4.9
419.26233	3.4
424.18604	2.9
436.18823	2.5
454.19949	16.6
493.21777	2.1
587.25433	15.1
617.26184	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79416	1.7
59.01383	2.2
62.93202	1.8
78.95878	2.5
87.07629	1.8
89.61443	1.6
96.96002	4.3
112.04016	2.4
125.02441	2.5
135.49397	1.8
136.07664	2.9
139.11275	2.3
148.04027	18.0
149.04819	8.3
150.05598	36.8
150.09241	8.8
161.04787	8.9
162.05585	2.8
164.03514	8.4
164.47310	2.6
173.03513	4.0
174.04321	30.0
175.05106	10.4
175.06389	4.4
189.06682	12.6
190.07430	26.2
191.08188	3.1
200.07140	2.7
201.07884	8.1
201.11218	3.8
202.07344	7.2
214.11151	4.5
217.07529	3.1
217.09741	3.2
228.06772	2.2
231.07669	30.5
232.08533	83.0
233.09216	10.2
242.08224	3.4
242.10590	3.7
244.08189	19.8
245.09186	7.5
259.10815	2.3
262.09464	3.7
285.08829	2.8
286.09634	12.7
287.10062	2.6
299.13968	11.9
324.13452	3.7
325.11780	2.3
337.10703	2.2
382.17581	8.7
394.17734	7.0
436.18542	7.4
437.17065	3.0
454.13919	3.6
454.19873	83.8
467.16895	3.2
509.78738	2.0
545.23730	3.5
599.25031	7.2
617.26184	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	617.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30708	0.6
55.14765	0.6
59.01357	1.1
71.01382	0.9
75.41824	0.7
75.87812	0.7
77.40143	0.7
77.48430	0.7
88.98827	0.8
97.25873	0.6
105.22316	0.6
109.02943	1.6
113.02390	0.8
121.02925	1.3
121.05329	1.0
123.04494	1.4
125.02444	11.3
134.06116	1.4
136.07684	22.7
137.02435	4.2
138.09218	1.4
139.03975	1.5
141.86443	0.6
143.29839	0.7
149.02473	1.3
151.03963	1.2
156.11571	0.6
161.06023	1.5
162.05569	8.3
164.01073	0.9
165.01907	3.5
167.03505	2.8
173.10852	3.7
179.03503	5.6
182.92152	0.7
197.10838	1.2
199.08801	10.7
203.07156	4.6
205.05077	4.3
212.13203	0.8
213.13988	15.7
221.04308	0.8
225.10321	3.0
227.06969	0.9
237.10432	1.3
238.11038	2.6
239.11906	94.4
243.27721	0.7
245.08093	5.9
252.11337	1.1
257.13004	3.1
289.07166	17.4
293.20325	1.1
305.06723	10.4
307.17014	0.8
308.17712	36.3
319.17889	2.9
320.17722	7.4
333.14883	7.1
336.20807	12.6
344.17645	1.0
345.15182	0.8
347.16611	1.5
360.17276	6.2
362.18759	100.0
363.16708	1.2
378.18414	1.3
380.19836	40.4
392.19836	4.0
406.17645	14.4
410.20868	3.8
424.18805	25.6
431.50714	0.8
436.18750	5.1
454.19955	8.9
543.26270	8.7
573.27710	5.3
587.25104	44.1
617.25879	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54258	1.2
55.14075	1.2
59.01382	3.4
60.14876	1.3
61.90553	1.2
64.06479	1.3
71.01392	1.3
75.15598	1.3
79.87007	1.3
89.02438	2.3
96.68535	1.5
101.90582	1.4
109.02962	2.2
113.02369	1.5
115.76821	1.3
125.02390	6.6
136.07681	24.9
137.02448	8.6
149.57228	1.3
153.05457	1.4
158.36269	1.5
161.20509	1.5
162.05624	8.9
163.00525	1.4
165.01907	2.7
173.10800	2.7
179.03502	6.1
199.08778	9.4
203.07129	2.0
205.04977	2.7
213.13976	14.2
220.25816	1.5
225.10313	1.5
239.11913	87.0
252.11528	1.9
289.07172	9.6
308.17691	34.2
319.17865	1.5
320.17618	8.1
333.14841	6.2
336.20895	14.7
344.43646	1.5
360.17126	6.7
362.18759	100.0
380.19800	33.6
392.20023	2.3
398.00540	1.5
406.17636	13.5
424.18750	22.5
436.18414	6.2
454.19806	9.9
543.26172	8.8
573.27948	2.6
587.25183	40.0
617.26160	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87217	1.0
122.46367	1.0
134.06122	1.9
136.07671	26.1
138.09232	1.0
160.02017	1.1
162.05675	7.3
173.10822	2.1
197.10883	1.7
199.08809	13.7
213.14009	17.3
225.10353	1.4
239.11896	87.9
293.20163	1.3
307.17020	1.2
308.17719	41.8
318.12698	1.1
319.17813	4.7
320.17688	6.9
333.14844	6.8
336.20807	13.0
345.14728	1.7
347.16415	1.6
360.17023	5.9
362.18756	100.0
378.17712	1.2
380.19812	37.0
392.20053	1.4
404.19821	1.1
406.17709	14.4
410.20917	2.2
424.18787	23.7
436.18768	7.0
454.19955	7.3
535.23950	1.1
543.26263	8.9
573.27142	4.2
587.25134	37.7
617.26190	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40745	0.6
59.01370	0.8
62.82100	0.7
64.76447	0.8
71.01383	1.3
71.57950	0.7
73.02991	0.7
78.26546	0.6
92.19415	1.0
116.92825	0.9
134.06116	1.2
136.07693	19.7
137.02434	1.3
162.05605	4.6
165.01985	1.3
187.70544	0.8
199.08763	13.6
203.07251	1.1
212.51219	0.9
213.13937	8.9
217.58392	0.7
225.10416	1.5
238.11110	3.4
239.11899	98.3
239.72755	0.8
240.43111	0.8
241.13539	0.9
245.14493	0.8
252.11229	1.5
257.12857	1.0
308.17685	30.5
319.17880	3.6
320.17709	3.4
333.14944	11.7
334.19321	3.0
336.20947	9.4
344.17474	1.0
347.16403	1.3
360.17123	6.0
362.18765	100.0
363.16473	5.1
378.18381	0.8
380.19818	26.2
392.19812	2.8
406.17743	24.9
410.20834	3.0
424.18729	12.4
432.15543	0.9
436.18866	15.9
454.19785	3.1
541.32672	0.9
543.26172	8.2
573.27454	3.4
587.17944	0.8
587.25183	41.2
617.26239	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07641	4.0
54.04481	4.2
58.21273	5.2
59.01371	25.3
61.98854	5.5
62.24459	4.3
66.56064	5.6
78.89841	4.1
95.13320	4.5
98.57328	4.4
103.46413	4.7
121.02961	10.3
137.02475	7.7
165.01898	19.8
179.03516	5.7
187.09636	5.0
203.24178	5.2
223.02594	5.4
267.36276	6.0
318.16211	9.9
334.19574	5.1
348.17145	11.3
349.17917	7.0
378.18326	20.7
441.23184	16.6
469.92752	4.7
483.23856	30.3
501.25201	8.2
543.26306	34.8
587.25226	27.1
617.13037	16.1
617.27673	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	617.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
61.98822	1.3
71.01383	3.5
73.02935	1.0
83.01340	0.9
85.02953	0.9
94.98086	1.7
101.02435	2.2
111.37259	1.0
113.02452	0.9
116.92802	1.6
121.02955	4.8
122.03686	1.4
123.04554	1.3
125.02417	6.3
137.02443	5.8
139.04002	4.0
150.05553	1.8
151.03966	1.9
164.01114	0.9
165.01981	6.5
167.07164	4.8
174.04356	1.6
179.03458	1.7
181.46611	1.1
190.07607	1.1
197.09549	1.2
201.96262	0.9
203.07100	1.7
205.05058	1.8
219.06715	1.0
231.07857	1.4
232.08466	6.7
241.09822	1.1
241.13541	1.1
245.08171	3.8
257.12863	3.6
257.21271	10.5
268.08566	1.5
289.07214	10.6
301.11731	0.9
305.06543	2.3
327.15979	1.2
362.18924	1.7
401.25363	5.0
419.26529	100.0
454.19968	4.2
511.40402	1.4
515.17041	1.6
549.81946	0.9
555.20026	1.7
599.25391	1.3
617.29230	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3188
Annotation	Guangomide A
Peak:m/z	Relative Intensity
51.71339	1.1
54.52589	1.1
59.01377	5.4
63.07571	1.1
71.01395	1.7
73.02952	2.5
78.25198	1.3
81.03452	2.0
91.80792	1.2
99.04491	1.8
101.02461	5.7
101.52409	1.3
121.02907	2.2
124.06995	1.3
137.09720	17.2
151.11295	1.7
155.10785	71.5
169.12379	13.7
179.10770	14.1
181.08717	8.9
193.16060	2.2
199.09795	44.9
223.09822	9.9
241.10803	8.5
254.54613	1.5
288.58350	1.4
301.13028	2.6
617.31873	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	617.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.69025	0.2
70.29190	0.2
72.58533	0.2
74.55354	0.2
96.96004	0.3
99.36974	0.2
113.02500	0.2
115.00370	0.4
121.02954	100.0
125.02477	0.4
125.06203	0.2
133.01436	1.4
160.38405	0.2
191.05759	0.3
193.05089	0.4
200.29626	0.2
217.99017	0.2
229.10912	0.2
269.23135	0.2
284.29190	0.2
378.28839	0.2
385.09689	0.2
495.29398	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	618.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48384	0.6
58.33840	0.5
59.44704	0.6
61.98838	100.0
64.12406	0.6
68.06569	0.6
76.97437	0.7
77.28156	0.6
82.05562	0.6
84.81221	0.6
87.86865	0.8
88.78220	0.7
94.86098	0.6
121.02955	5.0
122.03281	0.8
265.65598	0.6
273.91278	0.7
302.64249	0.7
315.07721	0.8
401.78189	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	619.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64314	1.6
59.01402	1.9
59.46411	1.6
65.00354	2.4
66.83002	2.2
79.95749	1.8
97.02967	1.9
100.28358	1.8
111.61325	2.1
121.76248	1.7
124.01704	2.3
125.02443	100.0
126.02826	2.3
133.01418	1.8
133.02953	3.4
137.02455	11.0
151.00400	3.7
151.03955	3.9
153.01964	2.0
163.00349	2.6
164.01224	15.4
165.01921	76.3
167.03497	34.5
169.01434	70.9
178.99844	11.9
193.01476	2.8
195.03008	3.7
195.78256	1.9
206.99321	19.6
221.00893	31.2
222.01659	10.4
223.02504	3.1
228.04152	2.0
229.05020	2.0
231.06560	3.3
242.02164	4.2
244.03702	2.4
255.02930	3.2
257.04608	3.6
259.06088	3.5
269.00909	15.4
270.01672	3.9
271.02585	16.5
271.05637	13.5
273.04178	2.5
283.02435	4.7
285.03851	2.2
301.03662	2.6
303.05038	8.5
314.00613	8.2
327.01605	3.9
329.03036	8.3
347.04105	57.6
389.05579	2.6
394.69049	2.1
483.05927	2.4
493.07733	21.8
494.08508	10.4
601.10059	9.0
619.11133	76.4
619.20953	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	619.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68990	1.1
55.62577	1.2
57.03443	2.7
59.15425	1.2
63.41426	1.1
70.91016	1.2
84.76848	1.2
88.97345	1.3
90.23763	1.4
92.20071	1.4
96.34553	1.3
103.83959	1.3
108.17537	1.3
109.02944	2.6
111.04493	5.7
118.79710	1.3
125.02442	100.0
137.02422	7.1
139.04004	14.2
141.33324	1.4
163.00372	81.0
164.01154	2.1
167.03470	2.7
177.01936	20.2
179.03485	7.1
219.02980	2.2
259.24579	1.4
295.05664	1.4
357.06143	11.0
439.10162	2.2
483.09390	68.0
619.11090	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	619.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.5
58.25183	1.6
66.66239	2.0
68.56350	1.8
79.48992	2.1
109.02934	9.3
123.04538	2.0
124.81928	2.0
125.02439	97.9
137.02458	38.0
146.98288	2.1
151.03999	3.4
151.84384	2.0
161.02454	25.6
163.00360	3.3
165.01927	59.3
190.99818	3.1
193.01408	11.5
243.06561	2.6
245.04817	2.6
247.02199	2.1
257.04559	10.3
259.06082	2.8
267.96704	2.6
269.00909	3.8
269.04547	4.5
283.02408	3.9
287.05634	15.9
299.05710	3.0
315.05115	47.5
316.02036	8.9
331.04611	41.0
369.06555	3.1
467.06128	11.8
493.07620	2.6
575.11981	10.7
601.10168	4.0
619.10980	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	619.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73985	1.3
63.02829	1.1
71.01384	8.4
115.00340	8.7
117.03432	2.2
121.02995	1.3
134.03741	38.1
149.06088	10.5
168.41812	1.1
170.52484	1.1
178.02670	6.2
178.78416	1.4
193.05074	100.0
198.38757	1.2
199.34465	1.2
234.04437	1.4
247.97476	1.2
309.06259	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	619.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85889	1.8
66.57135	2.3
77.95744	2.1
93.03477	2.9
109.02959	27.1
125.02393	4.0
133.02925	2.6
137.02463	2.7
138.03220	18.0
139.04025	8.0
151.03966	14.6
151.09973	1.9
151.94647	2.1
153.01949	48.3
153.05571	100.0
161.02440	2.6
163.00365	8.6
164.01155	32.5
165.01938	20.4
167.03456	4.2
175.00432	3.4
177.01884	4.4
178.02722	13.5
179.03506	79.4
197.04579	32.7
214.21106	2.2
257.08188	4.1
267.06610	22.7
270.05396	8.8
271.06168	15.8
285.07681	32.6
287.05316	2.5
465.12109	28.9
483.13126	58.5
601.12933	2.8
611.57251	2.3
619.14923	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02582	2.7
67.86729	2.9
75.39693	2.8
79.20211	3.2
85.21278	3.0
87.01727	3.3
87.16256	3.2
89.19511	3.1
100.15516	2.9
109.02925	5.7
111.87038	3.1
123.04491	3.8
124.01674	3.9
125.02439	100.0
137.02449	7.0
139.04028	23.9
151.03967	7.2
161.02415	15.8
163.00368	27.5
164.01180	24.2
165.01926	28.0
167.03497	18.5
175.00363	14.4
175.04002	3.2
177.01935	17.7
178.02687	4.0
179.03506	36.1
193.01440	14.7
207.03015	18.6
223.98149	3.0
244.84636	3.3
257.04526	6.9
267.06494	3.6
271.06104	5.0
283.02399	4.3
289.07184	4.1
296.03403	5.1
299.05591	7.4
315.05115	14.6
333.06116	18.9
465.27301	3.4
483.09253	16.8
566.12897	3.5
575.15564	6.1
619.14825	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83092	1.2
56.15553	1.0
57.54890	1.2
71.01377	8.3
76.11519	1.3
106.67302	1.3
115.00339	5.8
119.05025	31.2
139.97353	1.2
145.06102	1.2
163.04008	100.0
236.36871	1.3
279.05179	10.0
297.90045	1.5
347.35281	1.3
402.05667	1.4
464.03427	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	619.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06121	0.8
68.63420	0.8
83.01635	0.7
83.08535	0.9
84.89925	1.1
109.02945	7.1
120.15202	0.8
123.04501	1.9
125.02428	5.6
137.02434	3.5
139.04010	1.2
149.02351	1.0
151.04005	3.7
151.27103	1.0
167.07130	100.0
179.03392	1.6
187.51312	0.8
188.04700	0.9
203.07158	7.4
205.05081	3.3
238.39995	0.9
245.08148	5.9
289.07153	24.2
329.12408	31.9
561.38379	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	619.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98852	3.4
63.62487	0.4
80.52737	0.4
91.74738	0.6
92.20072	0.5
94.04131	0.5
106.28327	0.5
109.02988	0.6
114.86729	0.5
121.02957	100.0
123.69569	0.5
137.02411	0.7
139.03976	1.0
151.04007	0.6
158.70580	0.5
165.01988	1.0
175.07732	0.6
177.01909	0.6
179.03531	2.0
187.86853	0.5
243.10402	0.6
255.10257	1.3
258.08960	0.5
273.11258	3.6
291.12494	2.8
351.14520	2.9
373.13016	0.5
380.12799	0.7
395.15015	20.2
419.70493	0.6
427.63913	0.6
499.19781	25.5
543.04089	0.5
559.21820	3.8
575.14813	0.6
619.14319	0.8
619.25769	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	619.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
60.65151	1.0
69.67213	1.0
69.84078	0.9
71.18083	1.0
79.76363	1.1
80.63632	1.1
100.30132	1.0
101.05173	1.3
108.58401	0.9
109.02954	0.9
109.06536	1.3
121.02952	100.0
125.02431	1.5
137.02470	1.5
139.03996	3.7
142.37180	0.9
151.03964	1.5
153.01920	2.0
161.02402	1.2
164.01067	1.2
165.01933	2.3
174.55362	1.1
177.02069	1.1
179.03477	2.4
182.88385	1.0
186.60315	1.0
285.07672	1.5
291.12537	1.4
309.13760	1.3
315.04907	1.0
333.13382	5.7
409.18457	1.3
431.58920	1.2
437.18118	5.1
465.08231	1.9
517.20898	4.9
559.21826	8.8
615.47717	1.1
619.11761	3.3
625.39783	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	619.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90022	1.7
59.01382	10.9
61.98835	1.8
71.01379	4.7
84.68176	2.1
101.02431	2.6
109.02939	3.4
113.02479	2.5
121.02949	100.0
123.01060	2.1
125.02427	10.3
135.48471	1.9
137.02429	8.8
137.06154	2.6
139.04004	8.9
151.04050	3.0
151.47028	2.2
153.01936	10.7
161.02283	1.8
164.01164	2.8
165.01880	4.4
165.05586	2.9
165.09296	3.1
167.03508	2.3
177.02013	2.2
177.05664	2.6
179.03508	9.7
193.01178	2.1
205.05037	2.0
245.11868	2.9
289.07053	3.5
359.51788	2.3
362.18491	2.8
377.16339	2.7
437.17618	3.0
517.21069	19.1
559.21509	20.6
589.26752	3.9
619.13348	2.4
619.27380	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	619.2568
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.91098	1.0
91.69489	1.1
92.19776	9.1
95.74033	1.2
114.59490	1.2
150.26091	1.2
152.99577	1.8
333.20227	1.2
459.18283	100.0
473.19803	16.5
474.20679	5.2
503.17307	4.6
518.19745	30.4
532.21021	1.2
533.21979	26.4
543.20618	1.4
619.25781	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74274	1.5
59.01373	4.5
61.98838	10.1
67.06998	1.9
71.01376	4.4
73.02955	2.1
89.36978	2.0
96.95921	2.6
101.02443	3.7
116.92834	3.8
121.02935	10.1
123.04522	2.8
124.07616	2.7
125.02490	3.4
129.94948	2.0
136.07648	14.7
137.02435	12.0
137.79030	2.2
138.09238	43.9
149.60526	1.8
151.03975	2.6
159.04590	2.1
164.07098	3.0
169.17493	1.9
173.06050	3.5
197.53731	1.9
199.08763	28.0
213.13925	3.3
217.05023	4.4
225.10265	33.7
227.11865	17.2
231.06615	3.8
239.11888	100.0
240.12596	8.2
241.13423	4.5
257.12952	4.4
271.10925	14.8
308.17526	11.1
319.17975	4.3
333.14743	3.6
347.16776	2.1
355.11954	8.0
360.17050	2.6
362.18750	64.6
364.20334	25.1
373.12860	20.0
373.25995	3.0
380.19812	11.4
392.19757	2.6
406.17874	17.3
408.19232	52.3
419.26407	8.7
424.18768	2.6
426.20413	3.1
436.18784	3.6
438.20480	15.0
456.21500	2.7
508.05606	2.0
545.27753	4.7
589.26709	63.7
619.27655	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26012	3.5
54.51618	3.7
60.11230	3.8
66.75948	4.6
92.19421	6.0
93.82283	4.6
109.02936	9.2
124.01601	5.1
125.02439	8.2
136.07657	6.0
137.02422	6.6
138.03239	10.5
138.09206	33.7
139.03992	22.9
148.48373	4.6
151.04019	5.9
153.01965	7.9
163.00371	18.1
164.01114	24.0
165.01868	10.9
166.02679	5.9
177.02039	7.0
178.02577	7.6
179.03459	37.6
199.08844	15.5
213.13927	20.3
239.11884	95.8
248.85129	5.4
273.04114	6.2
285.04590	5.3
285.07666	37.5
308.17548	21.6
313.03345	5.6
333.09869	9.5
336.20786	9.8
362.18753	100.0
380.19717	37.0
424.18839	5.6
465.07819	5.3
480.06973	6.5
545.27673	23.3
575.29279	5.3
589.26770	59.6
619.18726	11.0
619.27698	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
62.20913	1.2
64.31773	1.1
68.20615	1.6
71.01394	1.6
82.67223	1.1
93.47729	1.2
99.94050	1.2
100.65374	1.3
109.02938	2.2
124.07681	6.3
125.02411	2.4
136.07686	11.1
137.02481	2.8
138.09247	42.5
139.04018	1.7
153.01961	6.3
164.07304	1.3
165.01953	5.4
167.03506	6.2
173.10759	2.7
177.01947	9.5
179.03543	6.7
197.04628	1.5
199.08809	20.2
201.14046	5.1
210.65509	1.5
213.13922	13.8
225.10332	22.4
227.11943	11.6
237.10260	1.8
239.11913	86.8
240.12701	5.2
241.13490	5.6
245.12962	5.2
257.13034	5.2
271.02304	2.1
271.10800	12.3
273.04156	10.3
296.78391	1.3
297.04169	1.6
308.17700	16.4
318.12463	1.6
319.18076	2.1
320.17813	2.0
333.14838	2.4
336.20789	13.6
362.18759	75.4
364.20288	18.7
380.19788	23.8
382.21729	5.5
406.17691	2.1
407.07764	6.1
408.19409	26.0
424.19031	3.2
426.20291	12.2
438.20285	2.3
456.21545	6.8
480.07059	9.2
481.07645	2.3
545.27637	10.2
575.29120	5.5
587.12183	3.0
589.26715	59.8
619.27972	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	619.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12420	1.9
64.07681	1.6
71.82880	1.6
92.86088	1.8
109.02934	3.1
125.02469	6.7
136.07626	2.4
137.02403	3.1
138.09235	23.9
139.04015	2.4
153.01979	1.9
163.00386	2.6
164.07150	8.6
165.01903	6.9
167.03513	2.9
177.01907	3.5
179.03517	3.5
181.74455	1.8
187.13547	2.1
199.08809	12.5
203.19525	1.8
213.14035	13.2
219.26802	1.9
223.02458	2.1
225.10301	3.0
238.11079	3.5
239.11897	84.8
242.22180	1.9
308.17719	24.3
321.18567	2.2
333.14838	3.3
336.20901	19.9
362.18781	100.0
362.23291	3.6
380.19846	31.2
392.19791	2.1
406.17789	3.8
424.18918	4.4
506.02457	2.3
545.27728	14.2
575.29071	3.5
589.26831	55.4
619.12213	8.3
619.27753	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47282	1.5
67.74569	1.2
74.27179	1.1
79.21147	1.1
86.67386	1.2
91.67816	1.2
92.20112	2.8
109.02944	2.0
124.01640	1.8
125.02453	3.0
136.07686	5.1
137.02444	2.7
138.09279	18.8
139.03989	1.9
153.01926	2.4
157.67522	1.3
163.00415	2.8
164.01151	2.9
164.07103	4.9
165.01912	8.9
167.03485	7.6
173.10835	1.8
175.00337	1.5
177.01929	12.7
178.02827	1.5
179.03484	7.0
199.08743	8.6
213.14015	17.9
237.14189	1.5
238.10864	1.6
239.11906	84.8
257.04346	2.2
258.01697	1.7
273.04086	5.0
285.04169	2.6
287.05600	2.4
288.35687	1.3
299.05453	1.7
308.17725	20.3
315.05188	1.6
319.18185	1.4
320.18094	1.6
333.06073	2.6
333.09796	1.6
333.14706	1.9
336.20731	11.9
344.17477	1.4
349.86890	1.4
360.17340	1.9
362.18765	100.0
380.19809	28.5
392.19641	1.4
406.17966	2.9
424.18759	2.9
446.28644	1.3
480.07123	11.6
526.10358	1.5
542.37341	1.4
545.27863	12.6
571.63135	1.7
575.28857	7.3
587.12421	2.1
589.26813	44.2
619.12762	2.8
619.17004	2.5
619.27808	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.29
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
50.72284	3.2
50.81925	3.3
53.34753	3.0
54.38157	3.9
57.33815	3.5
64.23030	3.8
64.54763	3.9
72.60105	3.9
78.95908	28.8
98.10603	4.1
108.59883	3.7
140.47731	3.9
152.99600	68.2
223.00081	7.9
241.01146	26.7
267.80441	3.9
285.12881	4.0
303.23282	42.1
619.28973	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	620.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32650	5.2
61.98846	7.7
62.49023	4.9
66.58541	5.1
80.43516	7.1
121.02947	8.5
137.02429	7.8
139.04089	5.8
165.01848	22.6
166.02263	7.3
200.27248	6.4
239.11949	7.3
240.12123	7.8
289.07288	6.7
315.23114	6.3
405.19669	6.6
620.13495	41.4
620.29810	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	620.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.0
60.08590	2.2
61.98827	3.8
66.68254	2.7
88.98799	3.4
121.02943	50.0
122.03275	14.6
125.02401	3.5
125.87206	2.8
136.07706	3.5
138.09239	16.1
147.69803	3.0
153.64688	2.9
206.03403	2.8
213.13899	5.3
214.14342	4.8
237.76204	3.2
239.11897	42.7
240.12254	37.8
276.26050	2.6
308.17743	5.1
336.20731	4.8
337.21112	5.0
362.18655	25.2
363.19131	45.6
364.19418	6.6
366.20859	3.1
381.19910	14.6
518.20886	25.7
546.27515	6.0
560.22040	11.7
576.28125	5.2
590.27039	33.7
620.28784	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	620.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85524	84.3
51.57439	68.8
59.78970	76.7
59.79723	78.9
94.03342	98.7
102.93449	86.9
106.62804	100.0
129.18968	91.4
144.93642	89.2
151.86543	89.5
196.06030	85.3
198.52626	91.2
249.54407	85.9
395.94092	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	1.5
68.33027	1.4
69.85615	1.4
71.75724	1.3
85.69756	1.4
92.20098	2.1
97.02946	1.9
109.02943	8.5
121.02937	2.6
123.04541	5.4
125.02426	22.3
131.09332	1.3
137.02426	6.7
149.02437	3.0
151.00362	16.0
151.03987	10.7
159.40834	1.7
161.02448	9.4
163.00363	23.1
165.01913	27.6
169.01468	17.1
175.03954	2.8
177.01952	15.8
179.03470	2.4
181.01442	15.4
189.02008	2.2
193.01495	1.8
203.07129	2.6
205.01436	3.2
205.05070	8.1
213.14574	1.7
215.03394	2.0
218.92279	1.4
219.02988	1.6
227.07112	2.4
229.05067	28.4
231.02951	6.2
243.02965	2.6
245.08186	5.7
247.06088	6.4
255.02974	7.0
271.02338	1.8
271.06052	8.3
273.04120	5.8
289.04025	2.2
289.07239	10.8
297.04001	2.7
299.01947	9.7
299.05139	1.7
301.03879	1.9
315.05145	90.8
331.04617	5.7
333.06186	100.0
365.06848	1.9
433.05490	8.5
469.08231	14.8
499.74359	1.4
574.54883	1.5
621.12573	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22016	2.7
78.41602	2.8
81.16136	3.3
109.02946	5.9
112.06685	3.2
116.06138	2.9
125.02444	69.4
133.02904	3.0
137.02438	25.2
137.07312	3.0
138.03235	20.9
150.73424	2.8
153.01968	3.4
153.05576	100.0
163.03996	16.8
164.01155	39.1
165.01894	20.9
166.02242	3.5
169.01431	67.4
177.01923	14.7
187.03966	3.8
197.04567	42.3
203.07106	12.7
245.08263	5.3
253.05063	13.6
257.04593	5.8
271.06088	14.4
289.07272	23.3
300.54422	3.7
311.13004	5.1
313.06970	3.6
353.13647	4.1
387.12805	13.7
433.35065	3.9
459.11072	4.8
469.05188	4.3
469.11475	81.7
621.10632	11.7
621.16840	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	621.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.5
71.12353	1.8
74.06245	1.5
75.17670	1.7
82.11549	1.5
101.02428	2.3
104.30220	1.7
109.02961	19.0
111.04510	29.0
111.95611	1.6
123.04466	2.9
124.01637	8.8
125.02429	8.2
131.80635	1.7
133.02954	6.9
137.02457	3.0
138.03249	3.5
139.04013	97.8
151.03946	4.1
161.02444	100.0
161.03806	3.6
163.00423	2.1
164.01151	13.1
167.03491	12.7
177.01929	10.3
178.02782	3.2
179.03511	52.7
257.04538	2.3
268.03760	3.6
269.04562	3.1
283.02618	1.7
283.06125	7.9
285.07510	1.8
296.03140	3.5
297.04208	2.3
297.07465	2.0
299.05795	2.4
301.07205	18.3
311.05405	2.3
319.08228	28.3
437.08719	2.0
451.10263	15.7
481.11420	7.0
589.13550	10.0
603.14539	1.9
621.16327	56.6
621.26251	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	621.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61568	1.1
53.61797	1.0
54.47461	0.9
59.01379	2.8
61.98819	2.4
71.01388	1.2
78.86978	1.2
96.95995	4.8
101.02427	1.7
107.24059	1.5
109.02930	22.7
111.04508	23.7
121.02936	4.6
123.00854	2.2
123.04527	6.2
124.01665	6.1
125.02449	20.9
133.02950	2.1
137.02438	7.6
137.88480	1.3
138.03230	2.5
139.04013	97.1
139.82117	1.2
149.02437	3.0
150.03123	1.4
151.04001	7.1
153.05629	2.3
161.02440	100.0
164.01122	18.7
165.01877	2.0
166.02740	1.5
167.03470	13.7
177.01965	13.7
178.02708	3.0
179.03497	45.1
181.05078	1.4
182.19400	1.1
195.06631	1.6
203.07263	1.7
245.07887	1.8
256.03833	1.4
257.04633	5.5
259.06125	2.2
268.03827	1.7
269.04688	2.2
283.02368	1.2
283.06079	9.1
289.07245	6.7
296.03415	5.7
297.04001	2.6
299.05594	2.4
301.07141	18.1
311.05545	2.7
313.07175	1.4
319.08237	23.0
329.32095	1.4
407.31476	1.4
429.22797	1.4
437.08749	1.6
451.10452	17.7
453.11957	1.2
469.11484	1.4
481.11554	10.4
533.98682	1.4
561.28491	1.5
589.13947	5.3
603.14990	1.8
621.16284	74.7
621.26227	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	621.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61568	1.1
53.61797	1.0
54.47461	0.9
59.01379	2.8
61.98819	2.4
71.01388	1.2
78.86978	1.2
96.95995	4.8
101.02427	1.7
107.24059	1.5
109.02930	22.7
111.04508	23.7
121.02936	4.6
123.00854	2.2
123.04527	6.2
124.01665	6.1
125.02449	20.9
133.02950	2.1
137.02438	7.6
137.88480	1.3
138.03230	2.5
139.04013	97.1
139.82117	1.2
149.02437	3.0
150.03123	1.4
151.04001	7.1
153.05629	2.3
161.02440	100.0
164.01122	18.7
165.01877	2.0
166.02740	1.5
167.03470	13.7
177.01965	13.7
178.02708	3.0
179.03497	45.1
181.05078	1.4
182.19400	1.1
195.06631	1.6
203.07263	1.7
245.07887	1.8
256.03833	1.4
257.04633	5.5
259.06125	2.2
268.03827	1.7
269.04688	2.2
283.02368	1.2
283.06079	9.1
289.07245	6.7
296.03415	5.7
297.04001	2.6
299.05594	2.4
301.07141	18.1
311.05545	2.7
313.07175	1.4
319.08237	23.0
329.32095	1.4
407.31476	1.4
429.22797	1.4
437.08749	1.6
451.10452	17.7
453.11957	1.2
469.11484	1.4
481.11554	10.4
533.98682	1.4
561.28491	1.5
589.13947	5.3
603.14990	1.8
621.16284	74.7
621.26227	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	621.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04126	1.0
50.37112	1.0
82.00092	1.3
94.18791	1.3
99.84765	1.3
109.02905	1.6
111.04502	6.5
123.04516	6.6
125.02443	84.8
135.04506	1.4
137.02454	19.1
139.04033	12.6
153.05571	25.2
159.39630	1.2
161.02422	2.6
164.01118	2.7
165.01938	21.6
167.03514	27.3
175.04016	2.5
177.05658	1.5
179.03523	17.0
201.05600	1.6
203.03349	1.5
204.04295	1.5
205.00948	1.4
219.06619	14.5
221.04553	8.6
261.07730	1.6
268.90881	1.2
305.06714	100.0
307.98093	1.3
315.07651	1.5
315.10919	6.8
510.91934	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	621.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06499	2.1
59.01196	1.4
59.01385	22.5
64.83489	2.0
77.79007	2.5
85.02944	3.2
92.20102	3.7
97.02931	3.9
113.02423	5.1
121.02953	100.0
140.09886	2.2
149.06067	9.8
165.09167	9.3
167.07155	3.5
193.08705	2.5
207.10281	10.8
253.60776	2.0
310.42413	2.5
313.18201	3.0
561.23138	18.5
621.25726	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	621.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10862	1.1
57.03467	1.1
59.01387	18.1
68.87790	1.0
69.25079	1.0
71.01373	2.1
85.02932	2.5
97.02959	1.3
99.04537	1.8
104.01437	1.0
113.02432	5.5
121.02955	100.0
123.04523	1.7
130.83340	1.0
149.06041	9.6
165.09227	6.9
167.07112	4.5
171.21272	1.0
191.79440	1.1
192.07924	1.4
193.08725	1.7
207.10252	6.1
395.17215	1.4
501.21295	6.7
519.22290	5.7
561.23260	12.7
619.40771	1.2
621.25745	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	621.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52685	0.8
72.99315	1.5
75.00873	100.0
83.01390	0.9
88.64011	0.9
121.02953	2.5
137.02449	4.7
163.38168	1.1
165.01904	4.5
173.11790	1.1
204.40347	1.1
224.36360	1.1
331.91806	1.1
398.41315	1.2
460.92737	1.0
479.09616	1.2
621.27136	12.8
621.36591	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	621.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52685	0.8
72.99315	1.5
75.00873	100.0
83.01390	0.9
88.64011	0.9
121.02953	2.5
137.02449	4.7
163.38168	1.1
165.01904	4.5
173.11790	1.1
204.40347	1.1
224.36360	1.1
331.91806	1.1
398.41315	1.2
460.92737	1.0
479.09616	1.2
621.27136	12.8
621.36591	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	621.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02993	4.6
59.01396	3.0
65.91006	3.1
70.02972	3.7
71.01348	3.4
74.02475	43.5
83.67386	3.6
85.51895	4.0
92.20105	3.6
98.02503	4.9
106.84756	3.7
115.70194	3.7
116.03513	6.5
116.05035	7.8
125.02460	7.3
128.88843	3.2
133.11635	3.1
150.05635	5.2
153.01869	5.0
165.01898	6.7
177.01836	5.6
179.03563	3.8
201.10396	4.1
203.08263	69.0
206.26929	4.0
219.53392	3.6
222.99918	3.9
232.08583	5.0
245.09299	100.0
376.97473	3.6
397.17572	7.2
458.19360	3.9
621.14398	3.7
621.25586	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48139	3.9
50.70333	2.6
51.81446	2.7
55.99014	2.9
57.91018	2.7
65.03341	3.0
68.75566	3.4
69.84141	3.2
99.00884	65.2
105.03704	3.4
109.02949	15.0
120.90840	3.2
121.03010	4.0
122.03734	5.8
123.04513	26.9
136.05330	15.8
136.54527	3.0
137.06119	4.0
148.05309	6.4
152.07307	3.5
178.06346	4.9
179.07156	55.2
193.08701	4.5
206.05865	5.9
235.06000	7.7
247.13420	29.0
265.88113	3.1
294.53336	3.4
314.11758	3.9
327.12418	4.8
372.11459	3.7
373.12973	51.2
577.28113	44.2
621.27106	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	621.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
59.71578	0.9
61.99104	0.9
78.95900	5.3
152.99593	10.8
175.45805	1.1
175.87659	1.1
223.00160	1.4
241.01170	2.4
293.11731	1.8
294.12729	1.7
295.13486	1.7
305.24805	9.3
310.24234	1.0
327.15884	1.6
329.17758	3.7
390.85287	1.2
393.20728	5.1
427.10461	1.1
453.13989	1.0
481.20132	1.3
519.21466	1.5
535.21082	4.2
556.40491	1.1
563.21429	5.6
578.26868	20.3
580.12732	1.2
593.29224	35.1
606.25787	1.3
621.28821	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	621.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45813	0.5
52.67381	0.5
60.83692	0.5
66.19086	0.6
82.89719	0.5
82.97383	0.5
92.19490	0.6
99.00097	0.6
121.02918	1.2
193.08752	4.1
201.02895	0.6
313.18124	100.0
524.18823	0.7
575.26581	0.7
621.29321	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	621.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.3
62.39668	1.7
80.32229	2.2
109.72034	2.1
121.02958	13.8
124.07676	8.8
125.02434	15.3
135.21573	2.2
136.07677	8.3
137.02434	11.1
137.97569	2.1
138.09251	59.6
139.04010	12.6
151.03983	4.0
153.02013	2.1
163.00357	3.8
164.01222	4.0
165.01834	3.8
173.10802	5.1
177.01930	78.0
178.02684	2.5
179.03476	10.7
181.05014	3.6
183.02933	2.7
187.20154	2.0
199.08807	26.6
201.13953	9.9
209.04530	3.7
213.29907	2.0
225.10396	31.9
227.11887	19.7
239.11920	30.5
240.12680	12.4
241.13498	9.2
245.13029	5.1
257.04559	10.0
257.12885	9.8
271.06110	3.2
271.10880	23.1
285.07516	2.3
335.07755	5.1
364.20218	38.5
381.24960	2.0
382.21497	5.0
408.19312	46.6
426.20410	13.1
591.28259	52.5
621.16241	41.7
621.29303	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	621.3062
Annotation	Delavayin B
Peak:m/z	Relative Intensity
56.25085	2.2
59.92055	2.6
72.73715	2.2
78.95906	23.8
96.96938	4.8
108.82459	2.4
134.37061	2.8
152.99597	58.9
207.43294	2.7
223.00243	5.7
241.01143	24.0
305.24902	61.4
315.04962	3.4
621.30341	100.0
626.85260	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	621.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.2
65.77979	2.5
71.12400	2.7
76.35858	3.6
78.95909	23.5
92.20037	5.9
96.96955	3.6
152.99580	73.8
154.65170	2.7
199.15553	2.9
201.45117	2.7
214.08380	3.2
223.00127	11.8
241.01173	22.0
305.24863	69.0
310.35229	3.1
377.40015	3.4
427.24066	3.1
518.59198	3.7
621.30469	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	621.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	2.6
63.51343	1.8
78.95908	27.7
79.16996	2.2
96.96962	5.0
150.79691	2.1
152.99586	50.3
158.66377	2.0
191.18159	2.1
207.07834	2.3
223.00188	4.0
241.01180	23.3
281.12112	2.7
305.24902	60.7
315.05002	3.7
322.12122	8.9
593.28888	3.1
621.30560	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	621.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
66.27575	0.7
73.02945	0.7
101.02457	1.0
121.02958	1.1
122.65331	0.8
137.09706	6.1
155.10780	100.0
181.08698	0.7
191.05585	0.7
199.09779	61.2
218.32541	0.8
227.52673	0.7
410.66971	0.7
421.21091	2.9
621.26624	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	621.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16556	1.8
59.01387	100.0
62.46509	1.8
64.24310	1.6
65.80462	1.7
80.04382	1.8
84.00622	1.9
86.83537	1.9
87.93302	1.9
116.70596	2.0
157.68935	2.2
234.76299	2.2
314.75641	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	621.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
92.19384	1.3
103.13725	1.4
252.82549	1.4
286.57706	1.3
561.31891	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	622.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72483	0.6
60.72116	0.5
60.88932	0.5
61.94951	0.6
63.30902	0.5
71.01381	5.8
72.36806	0.6
78.72599	0.6
89.60569	0.6
115.00376	20.6
121.02956	22.9
133.01433	100.0
135.04529	15.2
179.03508	32.8
179.04701	0.5
295.04553	10.7
295.08185	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	622.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98838	100.0
63.56847	0.5
121.02930	0.6
134.43359	0.5
135.59445	0.5
147.72244	0.5
167.53027	0.5
180.78827	0.6
187.21472	0.6
213.07263	0.6
214.52826	0.5
601.80011	0.6
622.21472	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	623.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
64.33445	1.6
73.71346	1.6
83.46302	1.8
97.02917	2.0
109.02928	8.1
111.67261	1.8
116.15051	1.6
121.02956	27.2
122.03729	2.6
123.04488	2.3
125.02452	12.6
137.02464	18.0
138.03221	28.4
139.04025	6.7
149.02422	2.0
164.01173	26.6
165.01921	97.5
179.03461	10.7
193.01350	2.1
203.03381	2.1
203.07095	3.2
207.02899	3.3
209.86903	2.1
219.06624	2.9
227.07317	2.1
257.04663	5.3
269.00830	9.4
271.02533	3.1
271.05981	2.6
287.05771	2.0
298.01245	2.9
299.02191	3.5
299.05603	1.9
300.02655	3.6
314.04382	13.2
315.05096	58.6
321.04196	8.1
353.06839	6.4
361.07309	2.1
370.49094	2.0
393.09793	8.4
430.51648	2.2
451.06857	10.1
466.71661	1.8
543.12769	9.4
555.09888	2.4
587.12006	100.0
623.17078	7.6
623.28784	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13347	7.9
68.87477	9.4
70.80659	9.0
93.58856	8.0
101.60619	12.6
108.06561	9.6
125.02462	67.5
137.02434	55.4
144.13623	11.6
151.00340	17.0
178.99879	20.0
183.77817	10.8
218.05968	10.6
245.04532	56.6
247.02469	37.9
289.03632	100.0
333.02469	42.8
465.78299	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	623.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58694	0.7
59.01385	7.2
60.99300	0.8
61.98824	5.3
68.57610	0.8
71.01356	1.0
76.66553	0.7
77.43407	0.8
85.32927	0.8
88.63013	0.8
88.98792	1.2
89.02455	1.5
100.09351	0.8
101.02429	1.0
113.02441	1.0
116.92818	3.3
118.22775	0.8
119.05053	0.9
122.71100	0.9
147.04549	1.0
151.02238	0.8
155.10809	1.5
171.04523	3.3
198.03241	13.4
199.04030	3.8
199.09789	1.4
213.05595	12.7
214.02679	4.7
225.01920	5.4
226.02661	1.4
241.05086	4.2
242.02278	1.7
257.04547	36.4
303.06827	0.8
325.23282	0.8
342.05478	7.6
343.06131	15.7
357.07724	14.4
361.15134	1.1
370.04785	1.3
374.03659	1.3
374.07974	22.5
385.07156	0.9
389.10306	45.0
391.34195	0.9
401.06647	1.8
403.08145	1.4
433.09186	1.7
461.08807	100.0
503.09952	1.7
623.14270	7.1
623.27795	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	623.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45342	0.7
59.14792	0.7
61.28123	0.9
63.68070	0.9
70.40607	1.0
80.68359	1.0
92.20129	3.8
93.45168	0.9
151.00327	1.5
243.03015	8.1
249.71672	1.0
255.02931	4.2
257.04526	2.0
270.94693	0.9
271.02475	15.8
272.03125	3.4
285.03925	7.2
286.04764	1.3
287.05511	1.4
299.01968	49.0
300.02744	48.8
314.04333	45.1
315.05139	79.2
623.16248	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	623.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21824	1.0
59.01384	2.7
61.57426	1.1
68.99541	1.4
70.42401	1.1
85.02974	1.3
89.02468	2.2
96.84828	1.3
109.02917	1.6
111.04459	1.2
111.79549	1.4
121.02948	18.7
123.04484	2.0
125.02415	2.8
127.78267	1.3
137.02446	9.2
137.41624	1.2
138.03218	28.7
149.22115	1.4
164.01158	2.8
165.01933	51.0
177.01973	1.6
179.03439	6.3
193.01393	4.9
219.06610	2.2
227.03494	1.2
230.38818	1.2
237.07896	1.2
271.02502	9.5
285.04056	2.6
299.01984	69.9
300.02667	6.5
314.04333	100.0
315.05103	34.0
381.18130	1.6
441.21484	1.3
483.23868	1.5
505.10556	1.3
566.11810	1.4
623.16266	93.4
623.28345	61.3
623.38416	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	623.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38451	0.5
52.10579	0.6
58.47388	0.6
61.90288	0.6
65.54125	0.6
71.01391	1.4
79.72681	0.7
92.20039	1.0
93.03446	10.6
111.00917	0.7
111.04510	1.3
116.14883	0.9
125.02436	7.7
137.02452	22.9
139.04066	0.7
144.04576	2.6
145.04898	0.9
151.03975	0.9
155.03484	3.2
161.02458	1.5
163.00343	1.0
165.01894	1.5
173.04552	100.0
177.01956	3.3
191.05667	0.9
243.02916	0.9
311.07751	38.3
311.11310	1.9
327.05124	1.4
329.12369	2.9
379.48584	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	623.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04176	0.8
50.97005	0.6
56.57077	0.8
56.63743	0.9
62.56689	1.0
71.01387	11.0
92.19541	1.2
93.76668	0.9
97.71613	0.8
97.94530	0.9
108.55450	1.1
115.00345	4.6
115.58761	0.8
119.05024	26.0
155.51775	1.0
162.83295	0.9
163.04012	100.0
247.78543	0.9
279.05099	12.6
307.46838	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	623.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
58.37773	0.9
59.01377	6.7
59.88026	1.1
61.98835	1.1
71.01383	1.1
73.39011	1.0
76.42042	0.9
82.84444	1.0
83.01386	58.4
85.35306	1.1
89.03379	1.1
95.59688	0.9
100.53524	0.9
105.52152	1.0
109.02956	1.4
116.92876	16.9
121.02953	9.3
122.03733	7.3
123.04523	6.6
125.02410	1.3
136.05296	4.0
137.06088	15.6
147.04530	2.5
161.06111	1.2
162.06839	1.1
178.45624	1.0
209.08179	2.5
221.08194	7.2
313.14420	1.5
342.11014	12.9
357.13470	100.0
623.21259	1.8
623.31671	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	623.2275
Annotation	Taxuchin B
Peak:m/z	Relative Intensity
51.50534	6.3
52.72927	5.5
57.33122	6.5
76.12886	7.5
81.18509	6.1
85.99072	6.2
89.31654	7.1
92.19443	14.8
94.99530	7.0
97.01505	7.2
115.77663	7.4
121.02978	68.2
160.55525	7.3
160.67871	7.0
184.71722	6.9
282.27866	7.4
481.11453	8.7
623.22803	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	623.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53876	5.4
73.95345	5.4
74.71265	5.4
88.44703	6.9
113.28847	6.4
121.02935	100.0
127.90073	6.4
132.49532	5.8
149.02567	5.2
149.95714	6.1
153.44217	6.1
387.69858	5.8
403.38797	7.4
406.19458	6.5
623.22522	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97286	6.8
53.48370	8.6
55.87505	7.8
59.01376	85.8
61.98827	36.2
62.26339	8.6
71.01394	15.5
73.02943	7.6
85.02968	9.2
86.11361	8.4
89.02437	18.1
101.02444	17.8
103.00385	8.5
113.02474	8.7
116.92843	45.7
121.02963	69.3
136.17996	7.4
137.09734	15.3
141.16170	9.7
151.07646	53.3
155.10788	100.0
165.01985	11.3
179.10796	16.2
181.08687	9.8
190.81404	8.3
197.25044	7.5
199.09764	55.3
205.12387	14.6
217.12323	36.8
223.09790	7.9
236.29935	9.4
279.12231	29.5
309.39941	8.8
343.13873	41.7
359.27960	16.6
361.14838	33.8
460.73157	10.2
587.25580	9.5
623.27985	86.7
623.36804	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73966	68.3
58.69449	74.0
87.57685	68.8
91.70069	75.9
113.08733	86.0
115.36869	68.4
128.79301	88.4
233.68185	100.0
468.83789	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	623.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.7
60.69891	7.8
61.98827	12.8
63.63679	8.0
104.41615	8.4
116.92852	71.6
121.02934	100.0
140.35573	10.8
299.01779	8.7
322.14590	7.8
330.55176	8.0
400.63818	7.3
587.24396	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	623.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37430	10.6
51.76959	8.9
53.73555	11.1
53.81058	8.7
59.01385	11.9
62.03255	11.1
62.83968	10.8
64.00790	11.7
71.38070	8.6
71.82212	10.1
72.91471	8.8
97.22384	11.6
97.86971	10.2
121.02926	100.0
165.75372	10.1
178.56517	10.8
187.35713	10.6
272.05115	10.2
450.08127	11.4
623.21588	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2284
Annotation	Taxuchin B
Peak:m/z	Relative Intensity
56.51358	3.6
57.45329	3.6
59.01371	17.9
61.98824	5.7
65.99731	3.6
116.92846	20.3
117.03513	4.0
121.03005	6.2
166.32108	4.6
292.11276	4.2
315.20013	5.7
324.14142	5.1
336.17386	4.4
501.19528	7.5
623.22406	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	623.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98507	0.5
59.01381	11.9
60.43784	0.7
65.49602	0.6
66.50925	0.7
70.37054	0.8
71.01378	7.0
85.02953	0.7
85.06614	1.4
89.02438	12.3
90.44825	0.7
101.02437	10.7
107.52930	0.6
113.02420	4.8
113.06062	1.3
115.07628	1.1
119.03542	6.5
125.02433	3.5
131.07135	49.6
137.02461	1.4
142.53046	0.7
161.02405	0.8
165.01932	0.7
167.07162	9.0
173.08156	1.0
177.01846	1.0
179.05589	1.0
293.12439	100.0
326.89359	0.7
331.12781	0.8
388.61325	0.7
623.13495	1.6
638.49469	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	623.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
70.37920	0.8
71.26759	0.8
74.37592	1.0
85.02933	1.0
121.02954	100.0
130.25208	1.0
142.91672	1.0
149.06056	3.7
167.07167	4.2
269.11658	1.4
287.12958	1.3
305.13846	2.2
323.15094	7.7
344.19217	1.2
363.18326	1.5
365.15979	1.2
394.49585	1.1
423.20010	1.2
441.21194	4.0
503.22897	16.8
563.24695	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	623.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10137	0.7
53.46325	0.9
56.03884	0.9
57.18734	0.7
59.01387	12.0
59.54140	0.9
59.77821	0.9
74.15478	0.8
98.35729	0.9
101.37112	0.8
111.04498	1.0
111.23672	0.8
121.02953	100.0
122.89313	0.9
142.09821	0.8
151.26572	0.9
159.08023	1.2
165.01776	0.9
177.01888	1.3
178.02388	1.0
184.08775	0.8
241.12338	1.5
257.11887	1.2
269.11942	1.8
287.12881	1.6
341.16034	1.2
383.17206	1.5
399.06241	0.9
441.21341	39.0
537.11224	0.8
563.24957	16.5
623.17041	2.0
623.27863	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	623.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54310	2.0
59.01383	16.1
59.03316	2.1
65.06489	2.0
65.50634	2.1
68.55064	2.3
68.65961	2.6
70.43674	1.9
83.32897	2.7
93.44422	2.4
105.44726	2.4
108.15210	3.3
109.02954	3.9
114.79847	2.5
122.03735	13.6
123.04629	2.8
125.02414	3.1
137.02475	22.2
137.03465	2.1
138.03229	14.9
139.04002	5.2
150.01883	2.5
164.01102	3.4
164.68768	2.5
165.01933	62.7
179.03506	5.5
203.07111	3.3
205.04999	3.7
214.30457	2.5
221.04636	3.0
288.06497	2.7
289.07251	2.7
514.45959	2.5
525.22974	3.6
623.28839	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	623.2879
Annotation	Scortechinone I
Peak:m/z	Relative Intensity
50.11515	0.6
55.53510	0.6
59.01378	2.7
83.01387	0.7
92.71825	0.6
98.03716	1.0
109.02959	1.1
109.03719	0.7
109.04438	0.7
111.04488	2.9
121.02943	1.5
124.01621	3.2
125.02431	7.4
127.43541	0.7
137.02438	17.4
138.03226	61.4
139.03992	5.4
150.05504	0.8
161.02470	1.0
164.01184	5.7
164.11084	0.6
165.01920	77.1
166.02757	1.2
167.03442	2.9
170.02185	1.4
175.03951	0.7
177.01920	3.9
177.05551	0.9
179.03474	9.2
182.26688	0.7
203.03560	0.9
217.05067	1.6
218.05760	0.9
219.06592	4.8
221.04514	3.5
231.06635	1.1
260.06778	1.1
299.01913	6.5
300.02844	0.7
314.04401	6.5
315.05109	0.9
367.22641	0.7
443.24384	1.2
483.23825	4.2
623.16925	4.8
623.28705	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	623.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11515	0.6
55.53510	0.6
59.01378	2.7
83.01387	0.7
92.71825	0.6
98.03716	1.0
109.02959	1.1
109.03719	0.7
109.04438	0.7
111.04488	2.9
121.02943	1.5
124.01621	3.2
125.02431	7.4
127.43541	0.7
137.02438	17.4
138.03226	61.4
139.03992	5.4
150.05504	0.8
161.02470	1.0
164.01184	5.7
164.11084	0.6
165.01920	77.1
166.02757	1.2
167.03442	2.9
170.02185	1.4
175.03951	0.7
177.01920	3.9
177.05551	0.9
179.03474	9.2
182.26688	0.7
203.03560	0.9
217.05067	1.6
218.05760	0.9
219.06592	4.8
221.04514	3.5
231.06635	1.1
260.06778	1.1
299.01913	6.5
300.02844	0.7
314.04401	6.5
315.05109	0.9
367.22641	0.7
443.24384	1.2
483.23825	4.2
623.16925	4.8
623.28705	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	623.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72495	0.7
54.32240	0.8
54.58409	0.8
59.01387	100.0
60.10925	0.7
64.84235	0.7
68.96770	0.8
72.99311	1.1
75.00876	1.2
76.47100	0.8
84.54439	0.8
96.84622	0.9
119.03501	22.7
159.32007	0.9
170.78511	0.9
260.04724	0.9
594.96686	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	623.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45034	1.2
59.01387	100.0
60.81002	1.4
65.10211	1.6
88.09842	1.5
88.52107	1.6
92.20152	3.0
117.05566	2.8
117.74911	1.6
119.03507	23.2
131.73653	1.5
145.74385	1.5
227.10805	9.2
292.07724	1.7
323.12921	3.6
326.01447	1.8
326.13889	1.8
430.17651	2.6
445.20184	6.2
534.07855	1.6
576.27966	1.9
623.27112	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	623.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22978	0.2
59.01398	3.1
69.03444	1.4
71.01381	0.5
71.05009	1.2
77.82546	0.3
92.20079	0.4
95.02092	0.3
96.65147	0.3
109.06569	0.5
135.11769	0.4
149.09708	0.5
155.45212	0.3
161.13342	0.5
167.10756	6.4
167.48933	0.3
177.12816	0.4
179.10742	1.6
179.14424	5.0
193.12393	0.3
195.13910	15.8
205.12354	9.7
205.14200	0.6
214.89410	0.3
223.13391	100.0
256.16336	0.3
287.30209	0.3
337.47537	0.3
401.27124	0.4
546.22888	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	623.4173
Annotation	Cyclocanthoside A
Peak:m/z	Relative Intensity
59.01109	0.8
59.01384	20.0
60.99308	0.7
71.01376	10.6
71.04411	0.5
85.02952	1.3
89.02437	15.1
95.01381	0.7
101.02448	12.1
109.84098	0.6
113.02449	6.5
113.98321	0.6
119.03506	5.4
135.69246	0.6
136.46095	0.6
343.30002	0.5
345.31622	1.1
399.36246	2.7
425.34314	2.9
443.35309	16.5
461.36154	3.8
623.41711	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	623.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46061	2.5
59.01382	28.8
71.01379	11.8
75.06884	2.6
85.02940	2.8
89.02435	30.4
95.64387	2.9
101.02446	4.6
109.06551	3.8
113.02401	4.7
119.03502	4.4
140.35577	3.1
152.99475	4.3
177.02715	2.8
179.05630	17.0
344.20529	3.6
345.31476	4.8
385.34427	3.4
399.36249	6.0
425.34244	4.7
443.35324	100.0
495.10480	3.3
514.87170	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	624.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30137	0.6
53.66263	0.6
59.01391	15.6
77.92559	0.6
94.28512	0.6
95.04999	0.8
112.07705	8.3
113.06062	2.9
117.41841	0.7
129.10356	6.5
130.08746	14.8
207.15111	5.7
208.13425	1.0
224.17683	3.8
225.16081	23.8
320.23477	5.0
337.25974	5.3
338.24539	3.8
433.31793	1.1
450.34158	4.7
546.40277	7.3
564.41400	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	624.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
63.26858	0.7
63.99497	0.9
88.81371	0.8
94.55106	1.1
122.75533	0.8
129.10349	13.6
130.08702	0.9
138.58250	1.1
139.08708	1.2
140.07173	8.3
195.15152	1.4
197.16553	3.4
207.15073	12.1
208.13417	2.0
224.17615	6.3
225.16066	9.5
231.10176	5.0
232.10690	3.6
242.18773	8.7
288.97934	0.9
294.25531	3.2
310.25253	1.1
313.14523	1.7
314.14774	1.4
315.95148	0.9
327.16043	3.2
328.16724	14.5
329.17255	16.0
330.18021	5.4
337.26138	46.5
349.01492	0.9
355.27191	20.9
377.14078	1.0
423.33493	1.6
444.57892	0.9
564.41425	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	625.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68046	1.5
56.14120	1.5
56.14818	1.4
56.32094	1.5
60.93653	1.4
67.02867	1.5
73.88536	2.1
83.01397	3.6
93.03423	1.8
109.02945	9.4
111.04520	1.9
121.02948	2.2
121.06594	7.9
123.00818	1.9
123.04534	1.9
123.18703	1.9
125.02443	94.0
128.16446	1.7
137.02443	74.2
138.03186	20.9
139.04066	13.3
141.01958	2.1
147.04541	4.1
149.02422	4.2
151.03989	3.7
153.01915	2.2
159.04515	3.2
161.06090	3.1
163.03987	2.6
164.01070	2.0
165.01913	34.5
166.02708	27.6
167.03503	18.4
168.35968	1.7
175.07619	2.3
177.01990	11.7
177.05524	2.5
179.03488	17.0
185.06143	2.4
187.04036	2.9
188.04738	1.8
189.05675	3.0
191.03546	2.7
191.07167	1.9
203.03502	12.2
203.07269	2.8
204.04292	3.8
205.05029	2.6
207.06744	2.1
219.06606	14.0
221.04503	7.3
226.74139	1.7
231.02966	18.3
231.06596	3.5
233.04570	4.0
237.07596	2.1
237.90213	1.8
247.06120	2.7
257.04608	4.9
275.05621	49.0
282.00027	1.7
305.06671	100.0
319.04599	54.8
345.11777	2.1
609.42627	1.9
625.12317	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	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53765	0.9
59.68671	1.0
61.62713	1.0
75.02836	0.9
110.10976	1.0
117.04015	1.0
125.02406	1.1
151.00348	5.4
165.01913	1.4
176.55180	1.1
178.99834	4.9
193.50334	1.0
243.03084	1.6
271.02460	9.6
285.04120	1.2
287.01920	13.4
288.03217	1.1
298.01093	1.1
301.03699	1.6
302.04321	1.3
313.03439	1.2
315.01471	74.6
316.02222	23.1
322.07410	1.1
330.03833	82.6
331.04608	35.3
431.14093	1.1
625.14197	100.0
639.71991	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	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04938	0.4
79.58546	0.4
89.78189	0.5
136.28391	0.5
141.93613	0.5
147.94446	0.4
151.00359	3.6
178.99854	6.0
242.02177	0.7
259.02368	0.5
264.78677	0.5
270.01752	6.1
271.02493	16.0
275.15311	0.5
287.01981	8.3
288.02786	2.4
316.02267	100.0
317.03076	8.2
365.82574	0.5
625.14233	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
62.29504	0.9
74.01772	1.2
92.20046	1.7
96.43457	1.1
110.00117	2.6
121.02897	1.2
125.02454	5.9
136.45740	1.1
136.98859	1.5
137.99525	2.2
139.00366	8.2
143.13924	1.3
151.00279	1.4
165.60207	1.2
165.99080	20.8
166.99857	7.1
193.98497	1.7
231.02940	1.6
255.03004	1.9
259.02472	1.1
270.01727	2.1
271.02493	29.2
287.02026	8.0
288.02847	1.3
299.01965	23.6
299.50723	1.1
316.02261	100.0
317.03046	50.6
356.44717	1.3
399.44827	1.2
625.14240	95.4
625.24713	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	625.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31732	0.5
58.93580	0.6
59.01378	1.4
59.67125	0.6
67.95975	0.7
69.18023	0.6
71.01392	0.9
89.02450	0.6
90.23821	0.7
92.20078	1.3
95.51726	0.7
125.02436	1.2
137.02438	3.4
153.00313	0.7
165.01961	5.3
191.05569	0.7
193.01424	2.4
249.63313	0.8
259.02475	0.9
284.03162	1.4
285.04071	4.4
287.01944	11.6
301.03500	0.8
315.01486	65.2
316.02283	1.1
330.03833	100.0
331.04608	11.1
625.14209	73.5
625.30896	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	625.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06583	0.8
59.01385	80.7
59.87268	1.0
62.51891	1.2
63.45638	0.9
65.76811	1.0
71.83802	0.8
84.05594	0.9
93.61443	0.9
102.78636	0.9
109.02925	0.9
114.13289	1.2
121.02954	100.0
124.52904	1.1
145.03607	1.0
204.92557	0.9
211.36456	1.0
214.51903	1.1
246.20911	1.2
333.78485	1.0
363.71552	1.0
383.14114	1.0
463.17758	6.5
481.18909	2.2
523.19983	11.2
625.39667	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	625.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
71.01390	0.7
85.02929	0.3
87.00896	0.3
92.19389	0.7
103.70944	0.3
109.02979	1.6
113.02456	0.6
121.02954	100.0
122.03728	0.7
123.04530	2.5
135.04536	1.5
137.02455	0.6
139.03922	0.4
146.55559	0.3
151.03954	0.6
164.01161	1.5
165.02083	1.0
165.44269	0.3
178.02757	1.3
179.03488	4.3
187.07649	0.5
203.07214	0.4
289.07339	0.4
295.09875	0.7
296.10272	0.5
303.08707	1.7
311.09161	0.5
313.10770	0.7
326.11688	0.6
344.12741	2.0
359.14880	2.3
421.09128	0.4
435.10880	0.6
476.07022	0.4
483.63715	0.4
503.19263	20.6
589.17224	4.2
589.26105	0.5
625.22076	4.2
625.31702	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	625.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77153	1.6
59.01383	100.0
61.98836	1.5
70.85134	1.7
77.70996	1.5
92.19418	2.1
92.92339	1.4
99.04517	25.2
105.87099	1.5
117.02515	1.6
118.92735	2.0
156.86964	1.4
223.17007	1.9
224.88167	1.5
251.10771	2.4
305.13882	1.7
505.24329	2.1
523.25769	10.4
565.26361	7.6
625.30115	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	625.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40063	0.9
57.54868	1.2
59.01387	100.0
64.61322	1.1
69.30273	1.1
74.89034	1.1
78.24371	1.3
82.49886	1.4
82.99467	1.3
85.51907	1.6
147.04532	15.1
157.81079	1.2
257.15472	1.7
328.59213	1.6
474.10947	1.4
501.77084	1.6
510.31241	1.4
523.27203	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	625.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44850	1.2
53.61036	1.2
56.04866	1.3
57.33134	1.2
59.01385	100.0
59.06018	1.2
71.01380	8.5
76.04494	1.3
89.02438	16.6
92.19306	1.3
101.02435	5.3
109.08996	1.2
112.20329	1.3
112.85590	1.1
113.02467	5.9
119.03499	6.8
121.02969	2.3
179.05612	10.8
256.54700	1.7
565.30341	3.0
625.32202	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	625.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03449	0.8
59.01104	1.8
59.01384	38.7
59.01684	1.2
61.98842	1.6
71.01378	23.2
72.99309	1.0
73.02951	8.4
76.99027	0.9
78.53394	0.9
83.01382	2.3
85.02950	13.4
87.16017	0.8
89.02440	10.5
92.19424	1.8
95.01327	1.0
95.35178	1.0
99.00848	3.1
100.99061	1.0
101.02439	29.1
101.32870	1.0
111.00899	3.9
113.02435	12.4
116.92817	2.0
119.03481	2.3
121.02969	3.9
130.74091	1.0
137.02429	1.5
139.71901	1.2
161.04555	1.8
165.01915	1.2
183.19574	1.0
184.46080	0.9
301.27472	1.2
316.20264	1.0
318.50464	1.1
463.32712	3.9
463.94669	1.0
625.30249	5.5
625.38330	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	626.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26289	0.6
59.01381	0.7
60.04520	0.6
61.98837	100.0
92.20064	1.1
118.20942	0.8
121.02944	8.0
122.03276	3.9
165.01968	0.9
245.51881	0.7
273.23199	0.9
334.43887	0.7
344.94537	0.9
510.38797	0.8
614.80353	0.8
626.30542	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	626.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41397	0.8
51.31065	0.9
53.39046	0.9
55.54216	1.0
58.85692	0.8
59.01384	71.5
61.17776	0.9
61.98838	1.8
72.99307	33.9
103.26794	1.1
116.88771	1.0
121.02951	4.8
162.09215	5.1
166.39189	1.3
182.80890	1.0
190.08763	24.0
208.09798	100.0
216.69173	1.2
235.11391	2.1
253.12405	2.2
335.14499	1.2
343.05981	1.1
372.39334	1.1
444.21533	1.2
504.24005	16.5
542.55457	1.1
626.36151	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	626.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	38.3
106.67992	1.6
120.64945	1.9
137.06068	2.2
162.09283	3.0
190.08737	25.4
191.10918	1.9
197.22160	1.5
208.09799	100.0
223.11394	1.7
239.10794	2.2
241.12215	2.4
251.10873	2.5
257.11841	7.6
263.72797	1.8
269.11896	10.0
275.12927	6.6
287.12958	3.2
305.13910	10.3
323.15176	2.4
359.17181	7.6
417.15625	2.9
417.21310	92.7
499.67935	1.7
533.80688	1.8
560.78656	1.7
568.78534	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	626.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17067	0.6
59.01384	100.0
61.98839	1.9
66.39406	0.7
78.72530	0.8
86.87751	0.7
120.49850	0.7
121.02947	6.1
136.15366	1.0
146.35391	0.9
313.86710	0.9
626.22028	1.1
626.32245	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	626.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37001	0.7
61.98836	100.0
86.35179	0.9
89.83982	0.9
93.00733	1.0
93.36908	0.9
97.51368	0.8
213.25986	0.9
235.13879	0.9
328.16864	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	626.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.49884	0.6
59.89211	0.7
82.25484	0.8
83.26855	0.6
84.94921	0.7
92.20183	1.3
98.35298	0.6
103.55123	0.6
117.86200	0.6
154.12141	0.7
226.48648	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	627.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45235	4.1
63.23935	3.2
73.93842	3.6
76.48901	3.6
95.05034	5.2
109.02942	19.9
125.02450	35.9
125.03242	3.5
137.02438	8.5
139.04005	8.0
147.08138	17.5
149.06035	6.5
161.02440	4.4
165.09206	8.7
167.03441	34.3
173.06078	15.3
191.07164	24.7
215.07132	63.5
233.08183	74.0
249.85431	3.6
259.06119	15.4
270.41641	3.7
277.07266	37.5
291.40482	3.5
305.06628	19.1
321.06195	100.0
444.58264	3.9
452.40570	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	627.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
83.58804	0.9
84.70634	1.1
87.78018	0.9
94.67355	0.9
101.02455	1.4
119.04985	2.3
125.02428	2.0
145.02966	18.2
163.03979	2.0
173.03587	2.0
183.05664	5.7
215.04633	35.5
243.07722	4.8
278.77539	0.9
287.06757	100.0
287.15070	3.9
339.10855	13.6
531.48090	1.1
627.14575	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	627.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47759	2.0
60.13480	1.8
76.90375	2.1
92.19401	4.0
109.02939	9.8
112.16429	2.2
125.02428	26.0
137.02473	17.4
165.01990	2.8
177.01942	50.2
228.23116	2.3
309.07721	3.0
325.07114	3.0
337.07224	31.7
338.07956	27.7
344.38840	2.8
365.06613	9.4
367.08395	3.4
431.14908	3.0
471.12711	2.0
489.11899	5.2
501.15265	5.2
609.17883	18.9
627.18799	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	627.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04685	0.5
55.50020	0.4
58.70961	0.4
59.01374	0.8
71.01387	0.8
71.52763	0.5
119.05019	56.8
124.01665	5.6
125.02418	6.7
139.04015	46.2
139.05127	1.0
153.01958	0.8
161.04575	1.1
161.10849	0.5
163.04012	100.0
175.03996	0.7
177.01962	2.2
178.99950	1.8
191.05592	0.8
205.05161	0.7
241.05208	0.7
259.05899	0.6
275.05661	0.9
285.04053	7.1
301.09280	7.5
303.05008	2.3
325.09259	5.5
465.10226	7.9
506.82059	0.5
627.15472	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	627.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64256	0.5
58.63052	0.5
59.01395	4.8
67.31008	0.6
71.01389	0.8
75.00863	1.0
85.02908	0.8
91.44541	0.5
98.57794	0.6
121.02954	100.0
122.03723	1.0
135.04530	3.4
165.01886	1.3
165.05580	1.4
168.04556	0.6
196.96095	0.8
313.14420	0.8
331.15482	2.4
343.15378	0.8
361.16669	5.7
406.97662	0.7
505.20847	21.4
505.28326	0.8
591.29395	0.8
627.24359	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	627.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34104	0.4
59.01384	0.8
61.33862	0.3
71.26711	0.3
73.93286	0.4
78.66670	0.5
89.02439	0.4
101.02472	0.4
121.02948	100.0
125.20913	0.5
193.04918	0.5
262.02753	0.4
286.01715	0.4
317.03275	0.5
458.73563	0.5
627.32452	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	627.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19671	0.8
59.01382	13.4
66.42642	1.0
67.68279	1.0
71.01381	3.7
73.94576	0.8
75.39279	1.1
83.01382	1.2
85.86079	0.9
88.80894	0.9
88.89011	0.9
96.59998	1.1
98.13190	1.1
103.97823	1.0
109.43097	1.0
116.92963	1.0
121.02956	100.0
128.25261	1.0
165.01906	2.3
202.44183	1.0
205.05159	1.2
238.54762	1.0
391.17606	4.8
415.17584	1.5
475.19669	1.2
539.75067	1.1
543.22455	13.8
543.45746	1.3
591.29974	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	627.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98803	1.5
64.36240	1.5
64.56855	1.4
67.45838	1.5
68.63935	1.7
69.53910	1.4
70.81796	1.8
71.01401	1.5
71.95880	1.6
85.02940	3.0
91.51018	1.5
92.20029	2.6
99.04518	2.1
101.02434	1.7
109.02965	2.0
109.82098	1.7
111.04536	2.1
116.92868	12.2
121.02954	1.9
123.04465	2.5
131.01532	1.5
135.04550	3.9
149.06108	7.6
151.07657	3.0
161.06041	3.3
163.03929	1.9
163.63289	2.0
165.05530	2.2
167.07048	2.4
174.44527	1.9
179.07153	9.0
197.08200	10.1
207.10202	2.0
209.08263	2.4
239.09242	2.9
301.02686	1.8
316.05090	2.1
345.17136	1.7
377.41574	2.1
466.02106	1.8
525.23450	3.7
627.16681	7.6
627.25427	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	627.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78571	1.7
59.01100	3.8
59.01384	100.0
61.98832	4.2
68.98534	1.8
106.29655	2.4
134.26230	2.2
137.23927	2.1
145.38785	2.0
251.47939	2.1
252.37949	2.3
305.77121	2.4
313.53430	1.9
525.23279	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	627.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18097	0.3
59.01373	0.6
59.26307	0.4
73.32389	0.3
75.03885	0.3
80.30004	0.4
93.03452	0.8
93.54560	0.4
121.02949	1.8
121.96313	0.4
123.04490	0.4
133.02951	3.8
149.02429	2.3
151.04016	1.4
166.70337	0.5
177.01930	100.0
177.40128	0.4
195.02945	1.7
232.56894	0.5
287.22296	12.1
320.28796	0.4
352.19537	0.4
379.25000	0.6
447.23926	5.9
465.24957	34.1
573.94910	0.4
627.30286	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	627.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98816	0.7
64.86324	0.5
70.12888	0.6
70.37521	0.5
87.81744	0.5
88.05735	0.6
88.65299	0.6
91.93485	0.6
93.03461	2.4
101.02434	1.0
121.02941	2.8
133.02928	3.3
145.10867	0.6
149.02382	2.2
151.03964	0.7
164.04843	0.7
168.07039	0.5
176.65262	0.6
177.01932	100.0
195.03004	2.5
287.22269	13.8
321.13321	0.9
339.07315	0.7
447.24026	4.7
449.74606	0.6
464.24655	1.0
465.24915	13.1
465.35892	2.8
554.79480	0.7
627.30255	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	3.4
102.66869	2.8
118.58501	2.7
203.10815	13.4
210.72049	3.0
217.08704	5.0
231.10280	63.4
241.08670	20.4
269.11703	3.3
283.13470	3.0
284.14188	21.8
299.16562	52.7
313.14597	33.6
327.16013	18.3
328.16858	80.6
329.14017	5.7
329.17633	100.0
353.17627	3.3
568.29126	3.3
627.33380	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72972	0.2
68.29278	0.3
97.46755	0.3
128.15085	0.3
135.76965	0.2
154.31602	0.3
188.29512	0.3
243.13890	0.5
311.75824	0.3
313.18106	100.0
318.68082	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	628.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96011	1.1
51.71374	1.1
60.39622	1.2
61.98836	100.0
66.24252	1.1
69.66395	1.2
70.42474	1.3
73.11434	1.4
74.37040	1.3
74.67956	1.1
80.67339	1.2
82.93328	1.5
83.84332	1.2
99.82474	1.4
105.24674	1.3
116.30161	1.4
117.03456	2.2
151.00371	2.3
165.87117	1.3
179.66205	1.4
306.09271	1.5
309.43399	1.4
374.04373	3.1
388.05917	8.2
389.06662	7.6
403.08389	6.4
415.04660	9.9
430.06873	1.5
445.09198	3.1
456.04819	1.9
517.05457	2.3
518.06415	5.3
519.06744	1.7
533.08850	45.8
565.11438	85.2
580.49591	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	628.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21812	13.1
71.64619	12.9
72.39852	12.3
92.19348	26.3
121.02944	100.0
122.03300	15.6
151.99167	16.3
182.89877	16.8
487.11899	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	629.108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03211	3.0
66.51324	2.6
71.21420	3.3
72.59280	2.9
78.02219	3.4
78.36777	3.2
80.42245	3.3
92.20147	4.2
102.24892	3.3
118.09649	3.0
125.02441	100.0
137.02443	22.2
139.04002	7.1
161.02493	24.1
165.01941	6.2
167.03474	20.2
175.04025	4.3
177.01978	15.3
179.03526	20.0
187.04059	3.8
210.16840	3.8
219.06674	13.2
221.04648	3.5
243.03140	3.6
255.02992	4.9
274.67459	3.1
283.02457	21.5
297.03967	6.9
305.06683	39.1
333.44711	4.0
423.07111	40.5
425.08661	3.8
441.08200	18.9
467.10678	16.3
593.13037	79.4
612.58276	4.2
630.36664	3.5
647.18713	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	629.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26865	1.2
60.11898	1.1
61.98835	1.3
121.36599	1.4
190.66431	1.5
213.05681	2.0
229.04994	5.3
255.02974	15.0
257.04422	1.9
284.03268	93.7
285.04062	100.0
312.12204	1.3
362.79666	1.4
544.71808	1.6
583.97162	1.6
593.15186	82.6
593.24738	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	629.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74958	0.8
68.04387	0.8
71.01402	9.7
87.97762	0.9
88.98808	5.2
92.19420	2.3
92.97035	1.1
114.69032	1.0
115.00358	2.5
117.03416	2.0
121.02934	5.0
122.30043	1.0
134.03745	35.4
149.06102	8.3
165.00508	1.0
178.02684	5.9
193.05070	100.0
223.05986	1.1
241.75446	1.0
268.39209	1.1
309.06146	12.5
322.28116	1.1
622.32587	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	629.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68484	0.7
59.01376	1.1
71.01377	11.4
95.55694	0.7
107.97711	0.8
115.00352	6.0
117.03429	1.2
133.01456	3.3
134.03735	35.8
134.04723	1.7
135.73969	1.0
149.06056	9.9
149.39136	0.8
178.02681	5.9
179.03471	0.9
193.05066	100.0
254.22935	0.8
309.06189	11.1
319.08258	1.0
376.82648	0.8
429.24820	0.8
461.05133	0.8
560.43878	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	629.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
59.86340	0.5
92.16535	0.5
93.03441	3.6
109.02944	10.4
110.76176	0.6
119.05004	3.2
121.02958	0.7
123.04500	9.3
125.02436	2.5
137.02444	1.0
145.02953	12.3
149.02409	0.8
150.44637	0.6
151.03998	7.6
161.06000	0.9
163.03999	2.4
163.79898	0.6
165.01889	0.8
176.01122	0.6
177.01941	23.7
179.03487	2.1
187.03996	3.7
188.04745	2.8
189.01939	24.1
189.05606	0.7
190.02704	5.8
191.03520	6.7
203.03610	4.0
203.07130	2.7
205.05016	2.2
216.00645	4.9
217.01414	40.5
218.02188	3.6
219.02951	17.1
227.07091	1.2
227.11847	0.8
229.05038	0.8
229.08702	2.7
231.02982	15.7
232.03687	1.1
233.04550	0.8
241.09821	0.9
245.08269	3.0
245.12914	2.8
253.05077	0.6
254.05699	0.8
255.06462	0.7
271.06149	6.1
271.10776	0.9
281.04507	6.6
282.05347	1.1
283.06143	3.6
289.07245	7.7
289.11926	3.1
297.07654	5.7
311.05688	4.9
323.05530	2.5
339.11243	3.1
341.06677	78.5
435.10867	100.0
454.46295	0.7
651.25824	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	629.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68420	0.8
57.27029	0.9
59.01390	1.0
60.13664	0.8
61.86226	0.9
91.34538	1.0
93.03445	1.9
109.02946	10.7
119.04996	1.9
123.04505	10.5
125.02441	4.0
137.02406	1.4
145.02951	16.6
151.04005	9.1
159.04471	2.1
161.02419	1.2
163.04044	2.4
165.01942	1.6
167.03564	1.2
175.14064	1.2
177.01942	27.8
179.03578	1.3
187.03961	4.5
188.04820	2.0
189.01955	22.1
190.02713	7.7
191.03529	4.9
203.03548	1.9
203.07112	4.3
216.00572	4.3
217.01422	42.5
218.02243	2.5
219.02986	20.2
222.05885	1.0
227.07106	2.5
229.08737	2.4
231.03009	14.6
241.05171	1.3
245.08148	6.3
271.06122	5.5
272.82736	1.0
281.04553	7.6
283.06143	4.5
289.07150	11.8
297.07770	7.3
311.05576	6.5
323.05621	2.3
339.10837	5.1
341.06671	78.7
435.10889	100.0
540.60840	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	629.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75287	1.1
59.01385	64.0
63.93915	1.1
71.01381	29.3
85.02960	5.0
89.02444	46.8
99.00857	1.2
101.01818	1.8
101.02450	38.4
113.02441	19.9
119.03497	27.3
123.04506	4.7
125.02386	2.7
131.03488	1.7
135.04530	36.8
143.35175	1.2
151.03989	2.4
153.05577	8.9
200.01512	19.1
215.03938	1.6
303.05499	8.5
305.06714	1.8
315.10892	100.0
323.13519	89.9
323.16733	1.4
325.09393	2.0
388.92352	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	629.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00608	0.3
57.10025	0.3
59.01391	0.4
65.17130	0.4
71.01382	0.5
80.48734	0.4
85.02943	0.3
89.02440	0.5
92.20058	0.4
93.03453	32.9
101.02388	0.5
137.02449	100.0
299.07721	14.2
299.10883	0.7
350.19788	0.4
371.42633	0.4
402.61954	0.4
584.18921	0.3
620.48914	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	629.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07608	1.2
59.01390	2.3
61.50917	1.5
63.80198	1.1
79.34027	1.2
81.00905	1.1
81.85081	1.1
88.98805	1.7
92.20056	1.6
107.52612	1.1
121.02948	40.2
122.03722	1.4
129.01932	1.3
134.03726	25.2
135.03513	1.4
135.04527	44.5
146.03725	43.2
147.04503	7.5
149.06076	62.9
150.03175	1.5
161.06079	37.8
162.03192	6.0
163.04016	6.5
164.04794	26.3
165.04193	1.7
165.05582	45.4
166.06339	18.8
167.07132	50.8
172.70700	1.4
177.05617	5.6
179.07149	100.0
255.69684	1.3
315.12415	15.9
326.66730	1.5
327.12634	10.0
345.13388	12.7
574.00385	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	629.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92231	23.6
51.39746	24.0
75.17828	20.1
76.20739	22.5
85.09130	21.8
121.02956	100.0
192.30736	23.6
194.95055	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	629.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43426	6.5
59.01384	38.1
65.69641	6.5
82.59382	7.8
91.66751	7.7
92.20142	15.6
121.02972	100.0
136.36255	7.8
155.99875	7.3
222.82011	6.7
232.28282	7.2
476.20752	8.9
591.29712	14.0
593.30725	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	629.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71010	4.2
59.01381	31.0
64.47404	4.6
71.01369	7.3
78.67300	4.6
86.66696	4.3
88.98796	7.9
89.02504	5.7
91.05545	10.6
92.20028	7.7
101.02412	6.3
113.02431	6.5
113.46766	4.8
121.02959	100.0
122.03770	7.3
137.02419	5.9
142.39828	5.0
154.23314	4.3
165.01907	46.4
181.06100	4.6
205.05028	5.8
273.80731	5.3
357.03622	4.7
441.26120	6.2
451.22040	25.5
488.35080	4.7
549.32654	8.1
591.29242	9.5
593.31274	91.0
629.21527	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	629.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93366	6.1
53.47776	4.9
55.69270	5.8
59.01386	11.3
61.27148	7.4
63.18076	5.8
64.87992	6.5
67.88049	7.4
71.00673	6.5
88.98812	16.0
101.43407	7.3
101.60661	6.6
116.05320	6.5
121.02934	46.1
122.03759	8.2
123.04480	7.1
137.02472	12.1
165.01971	73.5
237.08871	7.0
269.11673	7.1
385.65646	7.1
591.29791	43.6
593.31207	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	629.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
70.58682	0.4
71.01376	0.4
77.79644	0.5
100.36833	0.4
103.04016	8.8
116.92852	0.5
121.02950	100.0
136.95309	0.5
147.04581	0.7
181.08786	0.8
216.26907	0.5
236.78801	0.5
252.64545	0.5
294.10028	0.6
295.13470	0.7
361.16714	2.1
373.16418	0.6
477.21240	4.8
558.56824	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	629.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30146	2.7
57.44291	2.7
59.01383	100.0
62.27108	3.1
99.61085	3.7
121.02946	89.1
125.02427	6.1
132.38831	3.4
146.92554	4.0
147.11191	3.4
148.76634	4.0
177.01996	5.4
323.02307	4.1
611.18579	3.8
629.19653	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	629.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77330	0.4
59.01385	4.7
65.05232	0.5
85.94454	0.5
90.18076	0.5
91.05497	0.6
121.02949	100.0
127.67066	0.5
128.10301	0.5
155.90179	0.5
156.07713	0.5
451.21826	1.2
509.52765	0.5
539.32416	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	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.5
74.69835	1.7
75.45531	1.6
87.13148	1.7
88.98820	20.9
91.32749	1.9
97.99126	1.8
103.04024	12.8
121.02954	100.0
135.04478	1.9
137.02412	2.1
137.06006	2.6
138.74908	1.7
149.09818	1.8
165.01921	2.1
176.04771	11.6
237.14931	3.7
277.12317	3.5
281.13791	2.6
283.79355	2.1
295.13327	7.8
303.19702	2.2
325.14417	7.3
347.18594	7.3
359.96942	1.9
412.07983	1.9
421.18610	2.4
543.21948	1.9
580.22845	2.0
593.31458	3.5
597.30188	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	629.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54251	1.3
54.49625	1.5
59.01385	100.0
60.55709	1.4
62.07084	1.4
63.57481	1.3
82.11891	1.5
84.69961	1.6
121.02950	43.8
157.12849	1.6
207.84151	1.7
218.41219	2.1
236.99989	1.6
411.20923	2.2
467.20691	2.4
527.22833	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	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03822	1.8
60.39397	1.8
71.37831	1.8
73.96072	1.7
92.19473	2.3
100.32364	1.8
100.92099	2.0
121.02956	100.0
127.07922	1.7
161.54443	2.0
171.01540	1.7
218.95932	1.8
251.06042	1.8
263.72806	1.8
385.04144	1.8
473.07169	1.8
480.50940	2.3
509.39539	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	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71236	1.0
59.01389	9.3
88.98814	1.7
92.20021	1.5
103.04013	9.0
109.02938	1.6
120.22029	1.2
121.02945	100.0
165.01889	2.5
181.08789	2.6
241.50467	1.2
285.11243	2.4
287.42627	1.2
321.13611	1.3
363.14410	6.3
463.03244	1.5
493.07941	7.1
525.93561	1.3
543.22443	26.4
629.26324	6.2
632.54968	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	629.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97422	0.9
59.01384	100.0
64.15628	0.9
67.93917	1.0
70.71379	1.1
71.01368	11.3
85.02941	2.2
87.31764	1.1
89.02431	16.5
101.02454	8.4
113.02442	7.4
119.03493	7.4
123.04459	1.9
125.02395	1.7
133.01422	1.4
161.04588	1.5
177.01953	1.8
179.05675	2.7
180.60706	1.1
189.01974	2.0
212.04637	1.3
227.77722	1.1
232.03836	1.4
233.04475	12.6
285.14871	4.3
303.16101	16.3
305.17435	1.4
323.18649	1.4
329.17627	8.6
341.06750	8.2
347.18558	1.3
363.17926	2.1
409.18839	1.2
435.10748	5.6
465.21075	1.6
509.23846	15.6
525.23297	4.9
527.24768	1.8
541.15521	4.4
569.26068	9.2
585.14832	5.2
629.18707	1.7
629.28430	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	629.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77655	1.5
54.34504	1.4
59.01383	100.0
59.90860	2.1
60.80958	1.5
66.44082	1.5
71.01373	15.1
73.02936	3.1
85.02961	4.5
89.02435	20.3
97.06602	2.6
101.02431	10.4
113.02454	9.2
116.92860	2.2
119.03464	8.0
123.04490	2.4
125.02384	2.6
160.32088	2.3
172.70937	1.9
179.05618	9.7
209.04466	2.2
217.12311	2.9
235.13354	7.1
243.13904	2.2
281.15448	4.6
299.16571	27.5
317.17523	23.9
329.17688	2.6
431.22876	7.7
479.22717	4.1
539.24884	21.6
569.25641	8.0
629.27118	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	629.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.1
58.99769	0.9
59.01382	100.0
61.98849	1.1
64.49144	1.1
71.01376	4.8
77.87112	1.0
89.02459	5.0
92.12590	1.1
92.19503	2.2
92.49238	1.3
101.02438	5.2
113.02427	1.6
118.19160	1.0
125.02431	2.2
137.09714	2.2
153.36012	1.1
157.12383	1.6
161.45947	1.3
173.25937	1.2
179.05629	1.5
181.08664	2.5
197.11836	70.4
203.12881	18.4
238.33670	1.2
241.05183	1.5
241.10823	69.6
255.02953	2.5
284.03345	13.0
285.04031	20.1
569.26276	5.5
593.14990	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33585	0.9
91.15105	1.0
93.04023	1.0
104.56569	1.1
137.79317	1.1
140.92670	1.0
147.09251	1.2
180.97127	1.1
251.20161	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	630.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09057	0.6
59.01390	5.9
61.98836	100.0
66.30394	0.7
82.09222	0.8
96.17357	0.8
99.81178	0.8
114.27197	0.8
234.89827	1.1
275.89307	1.0
299.61194	0.9
624.53168	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	631.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
78.21307	4.2
90.40647	4.9
109.02965	100.0
133.02985	9.2
145.98466	4.3
150.28735	4.1
153.01938	79.8
155.23581	4.4
165.01970	52.7
167.03479	10.8
172.15402	4.6
178.99942	5.6
190.99887	25.8
193.01529	8.3
221.00987	8.4
257.00998	8.4
272.03290	23.3
281.04730	5.0
283.99698	8.8
285.00528	10.7
286.01260	5.0
298.01160	7.9
299.01941	71.6
300.02676	19.8
301.03516	19.2
310.98245	19.1
311.99194	10.0
312.02475	6.6
312.99908	24.5
313.03311	4.7
327.01483	18.6
328.02267	10.1
331.04602	19.6
341.02878	8.5
390.03601	8.7
405.06320	9.7
419.04169	4.9
433.05582	9.8
465.04636	51.6
471.96304	4.7
493.03738	7.6
537.79663	4.4
571.08813	5.5
591.40045	5.5
599.08447	55.9
631.10938	60.5
644.66217	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	631.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15828	0.9
53.44348	1.2
56.24505	1.5
57.70483	1.1
59.01388	5.6
70.91801	1.1
71.01395	2.2
78.96077	1.4
88.18785	1.4
89.02456	3.0
101.02467	2.4
109.02979	2.2
111.04498	5.5
113.02437	2.7
119.03502	1.5
123.00950	1.9
123.04467	1.7
125.02441	58.0
135.04539	3.3
137.02467	14.4
139.03995	12.2
145.02948	16.4
153.05592	14.6
163.04060	2.2
164.01178	5.2
165.01993	17.6
167.03522	18.8
177.05573	2.9
179.03523	15.1
191.07100	1.4
201.05725	2.4
203.03499	1.6
204.04338	2.0
211.96448	1.3
219.06596	15.2
221.04556	7.8
267.62073	1.4
305.06686	100.0
315.10944	21.1
323.13358	2.9
324.13943	2.3
325.09198	7.7
325.14145	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	631.1679
Annotation	Galloylpaeoniflorin
Peak:m/z	Relative Intensity
56.24483	0.7
57.00096	0.5
59.01386	4.8
63.02404	2.5
71.01369	1.2
75.00867	0.9
83.01391	3.2
89.02441	1.6
92.62355	0.6
101.02422	1.4
107.01381	5.8
125.02444	7.3
151.00363	58.1
169.01395	3.3
178.99861	100.0
188.04805	6.1
201.05540	1.1
243.10292	1.3
248.30098	0.7
261.11328	1.2
277.67703	0.7
357.91837	0.7
423.16614	10.3
451.16116	2.8
477.14182	4.0
589.92310	0.7
603.17139	0.9
613.15027	1.4
631.16833	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	631.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79642	1.9
55.80780	2.0
55.90108	2.1
62.62754	2.5
64.74557	2.1
72.99308	21.5
75.00890	2.4
82.31567	2.2
87.32928	2.2
107.05004	2.9
111.04501	4.5
129.99751	2.2
137.02443	9.4
149.06084	4.6
155.03476	13.6
163.00359	4.5
165.05576	66.5
173.04521	11.6
177.01967	3.0
179.03461	18.3
193.05067	15.7
255.05101	100.0
257.04666	3.4
269.04715	4.0
270.05411	3.9
302.14633	2.5
463.06659	4.3
465.08203	4.3
575.24347	2.4
631.11041	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	631.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76562	0.7
58.59751	0.7
59.01376	7.3
61.30455	0.8
66.39257	0.8
71.01393	4.0
75.51198	0.8
83.01369	1.1
89.02448	5.2
97.02950	3.4
101.02443	4.0
108.47038	0.8
109.02956	4.2
113.02431	1.7
119.03521	1.0
121.02917	1.2
122.03721	9.2
123.04499	3.4
125.02424	16.9
135.04483	1.2
137.02441	21.3
138.03297	1.2
139.04005	1.8
149.02417	6.8
151.00414	1.1
151.03931	2.0
161.02425	5.4
161.06067	1.5
162.03233	1.9
163.03929	1.0
164.01129	1.6
165.01932	36.9
175.07635	1.2
177.05605	1.2
179.03516	5.5
181.08662	1.0
187.03966	1.7
190.02701	11.2
195.10182	1.5
201.05562	3.4
203.07132	12.4
205.05046	6.0
221.08113	4.3
229.05035	1.2
231.02901	1.3
241.08784	1.5
245.08188	5.6
247.06021	7.8
273.04117	0.8
277.83823	0.9
289.07205	5.0
305.10126	1.0
334.79236	1.1
413.70239	1.1
425.14594	4.2
479.15894	8.5
631.20422	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	631.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88774	0.8
54.01244	1.2
59.01392	10.3
61.72393	1.1
71.01385	4.6
81.03437	1.7
83.01389	1.4
85.02954	1.8
89.02421	4.7
95.04999	1.6
97.02935	4.6
99.86304	1.2
101.02396	2.4
103.48679	1.2
108.02176	4.6
109.02949	22.1
113.02398	1.8
114.26875	1.1
115.16473	1.3
121.02920	2.6
123.04513	15.2
125.02429	19.9
135.04486	1.2
137.02454	15.9
149.02403	5.5
151.04015	13.3
160.05309	1.2
161.02516	8.2
161.06108	9.8
162.03203	2.5
163.03995	7.1
164.01143	5.3
165.01942	11.7
165.05568	22.8
167.03630	1.9
175.03969	5.6
177.05626	2.1
179.03505	12.8
187.03963	5.7
188.04778	6.9
199.04341	2.0
202.06335	2.7
203.03485	1.3
203.07137	23.1
204.04254	8.4
205.05069	29.3
217.05043	5.3
221.08170	2.6
227.07069	6.1
230.05725	2.0
231.02974	1.3
245.08182	45.1
247.06076	6.0
271.06049	1.8
289.07193	93.5
327.08716	20.3
340.45728	1.3
479.15042	1.6
505.26282	1.5
571.27838	1.8
631.20428	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	631.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48125	1.0
59.44993	1.1
66.09109	1.0
68.01710	1.1
79.40771	1.1
81.03441	2.1
95.05026	1.4
97.02953	4.6
100.86628	1.3
109.02946	19.0
121.02985	1.9
121.11911	1.0
123.04489	10.1
125.02438	17.5
137.02463	8.5
139.04028	1.8
145.02913	1.5
146.03348	1.5
149.02422	6.1
151.03996	12.0
159.04489	2.0
161.06042	4.7
162.03185	1.8
164.01260	1.3
165.01892	2.6
167.03473	1.7
175.07631	1.6
177.84114	1.1
179.03511	8.8
187.04007	5.5
188.04851	2.5
202.06422	2.9
203.07167	22.7
205.05095	13.2
221.08209	6.3
227.07062	2.4
245.08209	18.3
289.07208	100.0
401.46646	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	631.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
78.60942	0.5
89.42406	0.5
113.00177	0.5
116.32802	0.6
145.02950	0.8
173.03571	2.6
183.05626	4.2
188.55606	0.7
195.61032	0.6
215.04617	36.1
243.07695	4.6
270.23914	0.6
284.53403	0.7
287.06747	100.0
291.18118	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	631.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08291	0.5
53.47304	0.4
74.62250	0.5
105.29665	0.5
123.04508	21.9
145.90819	0.5
153.05565	100.0
306.18887	0.5
315.10870	33.7
409.70258	0.6
509.52637	0.6
515.01929	0.5
569.14899	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	631.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53331	0.3
53.11961	0.3
66.80448	0.4
87.68251	0.4
99.96616	0.4
112.75871	0.4
123.04512	19.9
125.02454	3.0
137.02361	0.8
145.02896	0.7
153.05574	100.0
165.01917	0.6
167.03531	0.7
246.94864	0.4
269.72629	0.4
305.06683	3.9
315.10895	35.9
378.63757	0.5
485.91101	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	631.244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29598	1.6
97.27847	1.5
99.92603	3.0
116.92017	3.5
116.92855	100.0
116.97268	2.9
117.01922	1.8
117.05511	1.6
151.85617	1.6
206.86972	1.7
328.40482	1.8
404.76160	1.8
564.60822	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	631.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84605	1.9
59.01099	4.5
59.01385	100.0
61.98822	2.5
65.54565	2.4
71.01388	4.2
82.27477	2.7
89.02428	4.9
113.02402	3.2
121.02990	3.0
125.92143	2.2
129.36328	2.5
145.35815	2.5
161.05981	2.3
179.05563	4.0
283.17032	15.7
343.19150	57.0
373.20279	9.4
388.24738	2.4
406.46555	2.3
433.22375	63.2
562.70709	2.5
631.25153	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	631.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
74.59621	9.8
98.24679	9.0
109.02937	82.1
111.04553	13.8
121.02920	21.4
125.02416	13.6
131.81340	10.6
135.08177	19.2
139.03992	100.0
165.01846	12.2
167.03500	21.1
168.16315	10.6
179.03531	57.6
181.01430	10.8
263.88773	10.2
319.08240	84.5
372.39435	10.3
536.86389	10.6
631.24524	49.4
633.48615	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	631.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90414	0.4
54.60798	0.4
66.89983	0.4
68.28072	0.4
70.78125	0.5
70.90832	0.4
72.53902	0.4
117.68761	0.5
125.09739	0.9
147.62236	0.5
231.10249	5.5
279.10187	8.3
294.12692	1.7
295.22726	0.5
307.09848	6.3
313.14462	2.6
321.11319	0.8
322.12125	100.0
328.16867	11.4
329.17734	2.3
337.14496	56.5
357.34818	0.5
365.13828	0.6
386.42853	0.5
570.65466	0.5
582.09460	0.5
631.27026	18.8
631.39404	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	631.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00059	0.9
91.00600	0.8
93.69685	1.1
136.74800	0.9
185.54245	1.1
192.04344	1.0
279.10110	6.0
307.09799	3.8
322.12137	100.0
327.16104	1.5
329.17532	2.0
337.14484	76.7
483.30530	0.9
501.67410	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	631.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79903	3.5
55.43826	4.2
55.82691	4.4
59.01385	100.0
59.37947	5.5
61.98848	33.4
66.21748	3.8
71.01372	4.4
72.51833	4.0
75.37492	4.4
75.43729	3.8
88.98784	6.4
89.02412	5.7
94.82445	5.2
101.02441	4.7
116.92831	5.9
121.02945	59.8
122.06113	9.6
122.78339	4.8
137.02428	5.5
141.09251	5.4
153.05573	6.2
160.87404	4.3
165.01891	5.3
169.12347	7.5
204.06606	5.9
213.11337	4.7
245.08138	6.8
252.12668	7.7
253.06104	23.1
253.09999	5.1
255.11438	7.6
259.14566	17.8
266.06955	5.7
267.07666	29.0
267.11258	6.4
268.08472	22.2
268.12094	19.0
280.08551	23.1
281.09274	48.7
283.16934	7.2
289.07123	18.0
295.10818	85.4
296.11649	60.6
327.13525	18.3
339.09769	7.3
343.19025	23.4
371.12399	19.2
433.21774	43.5
555.26483	10.3
587.25146	8.0
599.25079	99.1
611.76215	4.8
631.27216	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42348	3.1
59.01109	4.9
59.01386	100.0
66.07375	3.3
73.12890	3.6
114.91413	3.7
121.02969	32.6
122.06113	4.7
161.83467	3.9
179.05617	4.6
204.06505	5.1
259.14346	4.1
267.07785	7.8
267.11240	4.6
268.08524	16.7
268.12161	8.9
280.08511	7.0
281.09329	29.8
283.16931	17.4
295.10938	40.6
296.11655	22.5
327.13400	4.5
335.16159	3.9
339.09888	4.8
340.10739	3.9
343.19016	48.7
371.12360	7.5
373.20425	5.4
431.20947	4.6
433.22507	42.7
555.25623	4.7
599.25195	66.7
610.61542	4.0
615.65906	4.7
631.26990	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91898	0.6
58.45116	0.7
59.01384	100.0
60.19881	0.6
61.98841	4.9
75.76718	0.7
121.02948	30.6
130.11255	0.6
131.82071	0.7
151.07564	0.9
181.08681	0.7
255.11581	0.8
296.11465	0.9
315.84839	0.7
415.64365	0.7
479.71085	0.9
631.27405	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	631.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09699	0.8
54.17548	0.9
55.61283	1.0
56.69859	1.0
57.23378	1.0
59.01384	64.8
60.69810	1.1
95.94351	1.0
121.02951	100.0
176.61371	1.2
186.87366	1.4
195.55190	1.3
213.48279	1.1
333.90527	1.3
454.35022	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	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08532	3.4
56.52314	3.0
59.01394	53.3
63.58270	3.7
68.02917	3.6
69.73087	3.3
79.59189	3.7
82.52673	3.9
92.19433	6.1
99.92914	3.2
107.62754	3.6
109.22993	3.6
121.02956	100.0
126.59933	3.4
146.28165	4.2
289.40036	3.8
469.22626	4.6
529.24609	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	631.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93219	1.7
59.01106	4.0
59.01387	87.3
62.80239	1.8
68.07716	1.9
71.01382	64.2
73.02942	10.3
83.01405	3.0
85.02969	11.1
87.00877	3.4
89.01909	2.9
89.02442	60.0
90.16051	1.9
92.19442	4.9
101.02439	39.6
102.42298	2.1
113.02440	33.3
115.00371	8.5
119.03493	18.2
121.02968	3.8
123.04552	2.2
123.08138	10.9
125.02483	2.7
129.07884	1.8
133.01425	3.7
134.03758	31.3
147.08212	3.2
149.06073	11.0
161.02512	2.0
161.04607	8.7
178.02679	2.1
179.05544	4.2
179.10805	3.0
193.05078	100.0
207.10236	8.6
260.48239	1.9
271.02582	2.8
300.02753	40.0
301.03473	16.2
303.14310	2.1
309.06100	10.5
331.13992	4.7
331.19171	13.2
349.20309	4.2
373.15262	3.4
425.25903	2.2
428.46332	1.9
464.65384	2.7
511.25500	61.9
529.26691	12.2
571.19629	3.6
571.27679	50.1
595.12994	30.6
599.37842	2.3
600.56592	2.1
631.19794	2.4
631.29816	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	631.401
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46809	0.5
92.20063	0.8
102.47475	0.6
121.02932	0.7
146.19905	0.6
146.63237	0.6
158.76073	0.6
277.63440	0.6
315.19678	100.0
329.17398	0.7
463.17462	0.8
598.18402	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	631.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39123	1.5
60.17145	1.7
65.56382	1.7
71.79652	1.7
159.57487	2.0
277.21716	100.0
303.58279	2.0
460.56152	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	633.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12839	0.6
54.30764	0.6
67.79863	0.6
82.76225	0.7
109.02946	4.2
122.03709	1.0
123.04478	2.5
125.02435	3.8
137.02440	3.0
151.04065	1.6
179.03555	0.8
181.08704	100.0
187.03955	1.0
203.07083	4.5
205.05070	2.7
221.08073	1.1
245.08176	2.6
289.07190	13.7
314.82809	0.7
343.13986	29.0
402.95178	0.8
471.22519	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	633.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	6.6
67.01303	4.9
67.84557	6.4
78.95884	7.5
81.47305	4.9
95.36754	6.2
133.00577	5.4
141.81300	5.6
152.99605	6.8
264.39511	6.7
268.92520	5.7
288.95807	6.9
336.28531	6.1
340.53833	6.5
633.24713	100.0
633.34674	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	633.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66592	80.2
53.71165	84.5
55.30761	75.7
77.83392	76.1
82.15429	81.9
85.91813	93.3
90.58281	87.6
147.04462	88.5
189.16286	91.1
232.51544	95.3
238.26872	95.2
461.15540	100.0
488.94650	91.0
617.78625	95.6
653.97028	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79028	5.5
58.83334	5.2
67.73627	6.1
69.34380	5.8
108.81482	5.8
144.91463	6.6
280.11002	47.2
281.08154	30.5
295.09808	15.0
296.10516	94.3
308.10843	7.4
311.12955	70.6
313.84421	6.3
323.12976	82.9
339.12299	14.6
633.25043	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	633.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29477	1.1
59.01387	8.9
61.98840	1.4
69.15970	1.2
88.98807	1.4
109.02892	1.6
121.02949	100.0
125.02450	23.8
133.20244	1.2
137.02432	1.8
139.04021	2.8
153.01805	1.4
165.01900	1.5
167.03398	1.7
189.12863	2.2
194.62617	1.2
197.00963	5.7
239.10641	1.9
269.11774	2.1
271.06210	1.3
287.12802	1.9
329.13681	1.5
427.62982	1.3
466.81308	1.3
585.38464	1.5
633.12939	4.7
633.26617	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	633.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38087	1.8
99.09044	1.7
109.02921	2.9
121.02953	100.0
122.01003	1.8
129.04137	1.9
137.02451	2.0
167.03462	4.2
189.70476	1.8
196.83325	1.8
196.85434	1.6
244.35721	1.9
337.83496	2.0
473.96176	1.9
587.25067	3.1
633.11847	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	633.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92413	2.7
59.01386	100.0
61.98846	3.7
64.01088	3.2
65.23578	2.9
66.03200	2.9
118.24069	3.5
121.02955	83.2
151.04031	3.8
153.37764	3.7
215.57448	2.9
247.17287	3.5
248.17397	3.7
332.68204	3.7
402.71423	3.1
490.38422	3.7
539.21942	3.4
542.92657	3.6
545.24011	13.0
587.25244	6.9
611.18469	3.9
633.28625	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	633.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91924	1.5
57.94609	1.5
59.01386	50.1
63.00099	1.5
79.63123	1.9
80.86021	2.1
86.00954	1.7
88.21803	1.9
98.51534	1.9
107.65935	1.9
121.02956	100.0
125.02417	1.8
127.90093	1.9
151.04013	1.9
155.10797	3.7
165.09157	2.4
167.54393	2.2
216.73944	2.1
217.60188	2.1
244.58818	1.9
325.14182	2.5
545.23828	2.9
587.24994	21.3
633.12860	3.3
633.31531	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	633.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63668	2.3
59.01390	43.7
71.01377	5.1
85.02950	3.2
85.26337	2.2
89.02455	4.2
92.20084	5.2
92.77423	2.5
101.02422	10.0
101.97894	2.4
116.15767	2.2
121.02950	100.0
137.09732	6.0
154.29956	3.0
155.10776	49.3
199.09750	3.4
277.65900	2.4
426.34433	2.7
487.19797	4.1
633.31622	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2574
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
63.62877	1.1
67.42391	1.1
73.75391	1.3
82.02975	2.8
83.26129	1.2
95.20861	1.5
96.95971	1.7
110.19606	1.5
124.04028	1.5
136.07623	4.6
148.04041	15.6
149.04816	7.0
150.05595	21.8
154.05052	1.6
161.04810	5.7
162.05595	1.8
164.03522	6.5
164.69797	1.3
166.08702	2.8
173.03557	7.9
174.04332	18.2
175.05093	8.8
175.06438	2.7
187.06303	1.4
189.06760	7.7
190.07457	14.4
191.08260	2.5
200.07083	2.3
201.07915	5.3
202.07349	2.9
202.09013	1.8
214.11118	2.6
215.08195	2.8
217.07526	2.7
217.09727	2.9
231.07732	27.6
232.08511	53.9
233.09290	12.8
242.08305	2.6
243.07747	7.3
244.08272	17.0
245.06972	2.2
245.09320	8.1
259.10773	1.8
260.08731	1.3
261.08807	1.4
262.09610	2.2
268.08612	1.7
285.08701	2.9
286.09561	7.6
315.13602	14.1
340.13025	5.1
356.15472	1.4
398.17239	9.2
410.17157	3.0
424.58011	1.3
452.18365	6.4
453.16125	1.9
470.19345	56.3
561.23407	2.6
615.24646	7.3
624.47986	1.4
633.25757	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	633.2575
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
51.49549	1.3
58.31771	1.4
70.15348	1.5
82.02969	2.4
83.93626	1.6
89.13374	1.7
90.29086	1.5
90.68911	1.6
92.39986	1.8
95.74160	1.8
119.72787	1.7
136.07677	6.7
148.04091	14.9
149.04797	10.1
150.05623	19.3
153.34534	1.6
154.05072	3.0
161.04837	3.5
164.03523	2.8
173.03563	10.7
174.04309	17.4
175.05038	7.3
175.06381	2.0
176.05756	1.8
187.06390	3.1
189.06662	12.9
190.07483	21.1
201.08009	1.9
202.07368	2.5
214.11095	3.9
215.08188	3.4
217.07431	2.2
217.09737	6.3
231.07773	29.6
232.06204	3.2
232.08527	61.4
233.09114	6.0
242.10603	3.4
243.07547	5.6
244.08218	16.9
245.09190	6.5
259.10788	2.9
261.08710	2.3
262.09711	2.3
267.07712	1.9
285.08844	2.2
286.09628	9.8
315.13419	10.7
340.13052	1.9
398.17075	14.1
452.18262	7.9
453.16562	2.6
467.16467	2.6
470.19348	59.6
561.23645	3.7
573.23920	2.6
615.24542	2.3
633.25751	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	633.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78896	1.4
59.01381	2.1
92.19421	1.9
97.02950	8.2
108.18284	1.9
109.02950	10.6
122.03725	11.2
123.04514	8.8
137.02425	11.9
138.03139	2.1
149.02461	4.1
151.04004	2.3
155.10791	11.1
161.02489	2.6
161.06062	4.1
162.03268	2.1
165.01944	38.3
177.05603	2.5
187.03992	2.2
203.07161	15.5
205.05057	20.0
231.02802	3.4
245.08240	1.9
247.05963	2.0
250.79741	1.5
272.72018	1.6
326.01395	1.8
344.22913	1.7
367.05807	1.8
412.23672	1.7
529.29767	6.6
633.30908	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	633.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83741	1.0
57.65819	1.3
59.01386	14.9
62.66361	1.5
71.01373	13.4
73.02941	6.5
85.02951	6.9
86.08246	1.4
88.98811	1.7
89.02439	4.7
90.18874	1.3
99.00900	1.8
101.02473	12.4
113.02441	9.1
121.02962	11.6
137.02400	1.5
137.09734	17.4
155.10780	82.8
164.74222	1.3
169.12314	2.1
185.10934	1.5
199.09808	7.7
254.52861	1.5
633.31451	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	633.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85950	0.8
53.26143	0.8
53.80388	0.7
57.69728	0.7
57.78013	0.7
59.01369	0.9
62.46347	0.8
63.99414	0.8
76.58237	0.8
78.54852	0.7
78.95882	1.6
82.26177	0.8
93.71678	0.8
97.46796	0.8
102.93940	1.0
115.86013	0.9
152.99509	0.9
253.21725	100.0
366.63434	0.9
375.12726	0.8
509.50208	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	634.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23185	0.6
52.76533	0.6
58.18792	0.6
72.07900	0.6
105.42607	0.7
116.48316	0.8
121.02919	1.3
151.00360	6.6
176.48596	0.8
177.67656	0.7
178.99934	5.2
255.02972	3.5
271.02625	8.0
289.99484	0.7
300.02777	100.0
301.03549	41.9
315.04956	0.7
463.08841	45.1
472.29547	0.8
526.53748	0.9
607.13147	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	634.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73473	0.8
56.11241	0.9
56.44390	0.8
56.56916	0.7
59.01385	1.7
61.98834	100.0
82.37619	1.0
83.79624	0.8
124.01966	1.1
145.14211	1.0
152.03564	2.2
155.10760	5.3
156.11119	4.4
199.09732	4.0
208.92506	0.9
223.09749	1.7
463.24780	0.9
634.32648	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	634.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86646	1.3
59.01388	29.6
60.01706	1.7
60.42601	1.2
61.01793	3.3
61.98838	100.0
68.57380	1.1
74.88538	1.2
77.13313	1.2
79.68111	1.2
92.20072	2.7
115.14919	1.3
121.02956	27.2
122.03314	11.9
123.03484	1.8
124.84792	1.4
202.84711	1.4
550.92462	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	635.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00524	4.4
63.03246	3.5
72.41888	4.3
73.19566	4.7
86.24246	4.2
96.72417	4.0
109.02948	5.4
123.04498	4.7
125.02455	33.3
137.02397	7.0
138.03218	33.3
139.03993	25.1
151.04005	10.0
153.05569	100.0
161.02403	34.7
163.00365	4.7
164.01108	10.7
165.01913	22.3
167.03514	7.0
169.01431	33.0
175.00432	7.2
177.01892	6.0
178.02661	6.4
179.03491	23.0
193.01399	7.9
197.04549	27.0
201.60736	5.1
257.04636	5.2
267.06631	9.2
271.06042	10.6
285.07880	4.5
301.07144	4.9
315.05148	9.0
483.13095	56.7
499.12378	8.2
535.00232	4.7
635.14337	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	635.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76120	1.6
70.65830	1.8
80.53294	2.2
80.84547	2.1
92.20065	3.0
109.02968	16.6
111.04521	20.6
124.01689	2.6
125.02431	22.8
137.02454	21.2
138.03268	4.1
139.04013	58.8
147.00859	2.4
147.82072	2.2
151.03996	3.1
161.02434	2.4
163.00380	3.0
164.01152	13.7
165.01918	4.6
167.03531	3.9
175.00346	16.6
177.00510	2.2
177.01958	39.8
179.03517	49.2
183.58427	2.2
192.00064	2.3
242.11403	2.3
256.03940	3.0
257.04462	8.6
269.04517	2.6
284.03326	2.7
297.04153	10.1
299.05502	2.2
300.02734	56.6
302.61316	2.1
315.05115	100.0
317.06448	3.1
319.08328	16.0
340.02167	3.3
353.29803	2.2
357.06311	5.1
451.10400	2.8
477.08340	16.3
495.09268	12.0
497.10904	31.1
509.11197	3.2
635.13922	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78389	0.6
66.07777	0.5
67.09318	0.6
71.01385	4.5
77.38638	0.6
79.92576	0.5
81.02702	0.8
92.19520	1.2
100.37695	0.6
111.00893	0.6
115.00374	21.0
121.03001	0.9
133.01431	100.0
135.04544	12.5
169.88008	0.6
179.03506	31.1
196.58615	0.7
292.59869	0.8
295.04602	12.1
309.39487	0.6
337.92935	0.7
529.29523	0.9
552.60559	0.6
618.17584	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	635.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87802	1.1
63.36514	1.1
65.52804	1.1
66.42513	1.1
68.46723	1.1
71.01382	3.1
75.02769	1.0
78.79471	1.1
91.39339	1.1
94.70025	1.5
96.96038	1.4
96.96957	2.3
97.88281	1.1
115.00365	21.4
118.16006	1.2
121.02947	2.9
133.01433	100.0
135.04533	13.2
150.10625	1.2
151.04019	1.3
167.03462	1.6
167.51654	1.3
178.37694	1.2
179.03525	31.8
180.68813	1.4
202.62860	1.3
293.06598	1.9
295.04556	12.5
371.62534	1.5
513.94586	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	635.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31697	1.5
56.02877	1.4
57.72881	1.5
65.04443	1.4
65.21833	2.1
67.07180	1.3
71.01393	1.6
93.05248	1.5
123.03645	3.4
123.04514	85.4
125.02431	19.3
137.02458	6.3
139.03989	3.2
149.02441	25.9
164.30623	1.6
165.01924	2.5
167.03470	26.9
179.03505	7.6
219.06538	3.0
305.06625	34.9
329.08807	100.0
391.66113	1.9
398.91403	1.8
615.22772	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	635.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24796	1.2
51.57658	1.4
57.03450	1.3
75.08199	1.7
83.01413	1.4
86.88609	1.4
87.74879	1.4
109.02972	2.2
111.04499	3.3
123.00868	1.7
125.02435	62.4
137.02451	21.0
139.03996	15.9
146.92964	1.7
164.01163	1.7
165.01924	17.8
167.03474	21.2
167.07117	25.6
177.01765	1.5
177.05533	2.0
178.02716	1.5
179.03540	17.9
185.13441	1.4
203.03487	6.7
204.04247	3.3
218.12370	1.4
219.06647	14.2
221.04524	6.4
261.07532	2.6
305.06680	100.0
329.12433	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	635.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38677	1.8
55.60550	2.4
56.25689	2.2
58.26251	2.0
59.01381	5.1
63.01188	2.2
63.95469	2.5
71.01383	2.1
74.09304	2.3
97.02942	3.2
97.16322	2.2
109.02923	4.1
111.04507	4.8
125.02441	93.1
137.02458	21.7
139.04002	15.8
143.14513	2.3
151.03967	2.4
164.01198	4.5
165.01888	23.5
167.03516	26.8
167.07185	5.5
176.52563	2.5
177.02037	3.7
179.03516	28.2
191.05653	3.4
219.06601	21.2
221.04630	6.0
242.42961	2.5
261.07571	3.8
289.79160	2.4
291.54022	2.2
305.06689	100.0
305.12366	12.0
329.12396	26.1
341.35925	2.5
419.94717	2.5
621.81653	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	635.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48481	0.5
66.07937	0.6
82.10580	0.6
116.03411	0.8
121.02953	0.8
122.06115	2.3
124.07663	10.2
132.03549	0.8
132.04550	28.0
133.05331	28.4
134.06137	4.2
137.02469	2.2
148.04086	0.7
150.05428	0.7
152.59003	0.6
156.97006	0.7
165.04272	10.3
171.22549	0.6
177.04333	8.1
178.05051	2.9
191.63405	0.7
209.03278	2.7
214.12343	3.5
215.11858	7.1
229.09808	1.3
241.09868	3.5
242.00725	0.7
245.09402	0.8
255.11395	1.1
257.10315	1.2
257.12958	28.8
283.10880	8.5
300.02780	3.5
301.03177	3.0
301.11984	10.7
302.03802	0.9
345.10922	100.0
459.94656	0.6
463.08517	1.1
464.09421	1.1
469.54193	0.7
608.13507	1.1
635.26593	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	635.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56880	1.4
52.06147	1.6
58.62836	1.7
60.63419	1.6
60.99305	13.1
62.27775	1.8
63.16225	1.5
63.82760	1.6
63.84649	1.5
76.79054	1.7
80.32077	1.7
85.16788	1.8
87.00867	2.4
88.00401	4.3
88.98801	100.0
89.02447	53.3
92.20025	2.9
121.02959	2.2
131.39145	1.8
146.87254	2.3
180.57265	2.0
243.03831	2.1
270.02350	2.0
316.27933	2.2
330.27408	1.9
333.49146	2.1
471.25241	2.2
540.63171	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05272	1.9
57.27203	1.8
58.51829	2.0
59.01385	33.0
60.22489	2.1
71.01382	15.6
74.26514	1.8
74.44259	2.0
76.82885	2.2
77.22672	2.0
81.07103	17.5
83.41991	2.1
85.02924	2.8
89.02436	29.1
101.02462	20.9
113.02443	13.6
114.46100	2.6
119.03506	11.4
125.02433	15.4
153.01907	8.9
167.07137	82.9
179.03447	3.5
232.40662	2.2
305.06659	10.7
305.12415	100.0
329.12427	18.3
364.01248	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	635.2731
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
59.79307	1.7
69.27267	1.9
74.70027	2.2
76.28170	1.8
82.02980	3.6
82.46832	1.9
92.20100	3.5
114.98174	2.0
129.05565	8.1
136.07652	2.5
147.90498	2.5
148.04042	26.0
149.04869	2.7
150.05618	25.8
154.05115	3.6
159.00357	1.8
160.04053	4.4
161.04831	63.6
162.05547	7.6
171.06827	2.1
173.03560	4.3
174.04300	10.1
174.05602	2.0
175.05128	79.2
175.06610	3.1
176.05920	7.0
189.06706	4.1
190.07495	4.7
191.08263	8.3
196.20131	1.9
201.07890	2.9
202.08752	12.7
203.04669	23.3
216.06656	10.5
216.08746	1.9
217.09737	2.2
229.07448	4.6
231.07811	3.9
232.08482	37.6
233.09296	54.3
241.09628	2.4
244.09833	95.8
245.09309	16.5
263.10367	2.1
277.84344	1.9
286.09659	3.1
287.10315	9.1
287.13434	2.7
288.08792	10.0
295.10828	2.7
295.48038	2.1
305.11465	11.1
312.13507	3.0
338.11420	3.9
442.19955	3.2
467.16818	3.0
468.17749	100.0
472.20944	17.6
605.26202	30.5
635.27301	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59032	0.9
54.11658	0.8
57.03447	1.2
59.01385	28.7
63.31281	0.8
64.00399	1.0
71.01381	13.7
72.54704	0.9
73.02947	7.9
83.01388	1.7
85.02943	7.5
89.02471	1.5
99.00873	1.4
101.02463	15.3
113.02454	9.8
125.02428	1.8
139.07666	6.0
153.17094	1.1
161.04585	5.3
161.59166	1.1
230.49106	1.0
251.16556	2.2
351.76419	1.0
413.21838	100.0
455.23035	2.4
460.05396	1.3
575.27008	17.0
635.29462	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	635.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73772	1.2
59.01384	100.0
64.15575	1.2
64.91574	1.1
69.84642	1.4
71.01388	2.6
89.02402	1.6
99.08492	1.3
101.02415	1.9
148.88390	1.2
170.96245	1.4
390.93848	1.3
603.59131	1.3
635.45496	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	635.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27527	3.8
77.53734	4.3
80.78698	3.7
108.49374	4.7
109.35943	4.6
112.75582	4.2
173.87318	4.3
218.30354	4.0
279.23315	100.0
285.79282	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	636.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12333	0.7
73.02943	0.6
75.93195	0.7
84.49736	0.6
99.92603	3.2
107.21372	0.6
107.80668	0.6
116.92855	100.0
116.97250	3.5
117.01927	1.3
167.05525	0.8
192.29420	0.6
383.26947	0.7
411.36899	0.8
494.34235	0.8
530.48096	0.8
636.25690	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	636.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45829	0.7
56.43783	0.7
58.02979	53.8
59.01382	1.7
62.21632	0.8
62.50564	0.8
66.11803	0.7
67.05210	0.7
77.69025	0.9
79.68311	0.8
96.49567	0.8
108.07835	0.9
142.45905	1.0
164.07167	48.1
206.08223	100.0
211.47942	0.8
217.14322	0.9
250.07256	12.8
256.03793	0.9
344.17758	0.9
465.30310	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	636.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49246	75.3
63.47229	70.1
72.10958	69.7
73.85591	81.4
78.69527	74.6
81.75280	77.6
85.32021	66.9
85.56411	83.2
183.59212	73.1
234.68192	75.8
291.77112	81.6
415.70462	93.7
500.12701	87.2
636.27551	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	636.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27214	1.0
58.02982	9.2
65.92406	0.9
70.02974	4.9
80.02139	0.9
84.31752	0.9
91.05530	8.2
121.02974	1.2
147.04521	16.4
163.83731	0.9
164.07181	72.7
206.08235	100.0
250.07249	4.0
443.37399	1.0
500.26346	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	637.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54951	1.5
52.93435	1.2
53.18505	1.4
53.66746	1.3
55.89577	1.4
59.37941	1.5
66.84113	1.5
89.93060	1.7
109.02962	7.1
116.92823	2.0
121.02940	17.7
137.02443	6.4
139.04007	10.2
151.00452	1.7
151.04120	2.6
153.01968	3.3
154.51930	1.7
163.00330	2.0
165.01906	46.6
175.00356	2.4
178.02827	2.1
179.03395	5.9
186.48148	1.7
193.01344	3.3
235.59377	1.7
267.06509	2.9
269.01141	2.2
269.04523	2.3
271.06256	7.1
273.07724	2.6
283.02451	3.7
285.03952	9.6
297.03979	2.3
299.05722	6.7
300.02679	4.1
312.02826	11.7
313.03442	2.1
315.05093	18.8
317.06763	2.1
329.06613	11.6
331.08160	3.9
368.19775	1.7
419.08002	3.3
467.09744	10.8
569.11145	15.5
601.13605	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	637.1574
Annotation	Rugulotrosin A
Peak:m/z	Relative Intensity
50.26751	2.2
71.67499	2.4
75.38572	2.2
92.54602	2.8
109.02965	5.7
125.02452	4.9
131.89279	2.5
137.02467	31.5
138.03275	4.9
139.04018	27.7
147.04579	3.4
161.02458	2.9
164.01134	4.3
165.01918	10.5
167.03497	6.1
175.04031	3.8
177.01945	31.4
178.02692	4.7
179.03542	11.2
191.03398	2.3
198.83646	2.3
213.05608	3.9
215.03529	2.8
217.05063	3.5
229.05067	5.0
231.06502	10.6
241.04956	5.9
243.02965	18.7
244.03688	10.5
245.04456	5.8
246.52522	2.7
255.02972	5.1
257.04572	15.4
259.02496	5.4
259.06085	12.2
260.03268	12.5
261.04089	20.3
269.04504	3.2
272.03467	4.0
273.04083	16.1
275.05634	6.3
281.04529	6.1
285.04062	5.3
287.05518	5.0
297.04086	5.1
299.05594	13.1
305.06628	4.4
308.66745	3.2
309.04211	3.6
315.05011	5.5
327.05118	9.8
455.09784	4.1
457.11768	5.5
485.11072	23.3
497.10703	4.2
637.15826	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	637.1785
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
89.07643	2.4
92.20148	8.0
201.86108	2.2
271.02448	4.5
285.03986	10.8
286.04993	3.7
299.01984	20.6
313.03635	74.2
314.04349	82.0
318.74289	2.7
328.05994	37.8
329.06677	96.0
629.10522	2.7
637.17932	100.0
637.27753	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	637.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30500	2.0
59.01372	5.0
61.05504	2.5
62.97874	2.4
92.20154	2.5
121.02954	50.0
183.28317	2.6
215.94089	2.6
400.16867	2.7
403.27457	2.6
559.22058	3.1
577.18890	20.6
581.42438	3.0
637.20715	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	637.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05730	1.0
54.47812	0.9
55.08994	0.9
59.01082	1.1
59.01377	6.5
65.42302	1.1
82.02997	2.2
87.00846	1.6
88.98802	2.0
95.18420	1.1
101.02445	2.9
112.04047	1.7
113.02420	1.7
116.92805	1.3
119.08820	1.2
123.04565	1.7
129.05557	6.5
138.01964	2.5
138.09230	7.1
148.04033	28.3
149.04834	1.5
150.05600	20.0
154.05069	1.7
160.04022	6.8
161.04817	77.8
161.06148	2.5
162.05342	7.6
164.03564	1.7
164.07152	4.5
164.67409	1.1
173.03485	1.5
174.04295	4.8
174.70238	1.3
175.05113	80.5
176.05772	10.4
176.07214	1.4
176.93275	1.1
181.09865	1.2
187.06395	1.4
188.07135	1.3
189.06657	1.7
190.07416	2.4
191.08247	6.8
200.07167	1.6
200.10840	2.0
201.09235	5.3
202.03825	1.2
202.08823	16.9
203.04662	14.9
204.04965	1.3
205.04991	1.4
215.05925	1.6
215.08334	1.7
216.06625	11.4
217.09727	2.2
228.06726	1.5
229.07460	2.2
232.08559	26.1
233.09283	39.3
233.12759	1.3
234.09500	5.5
235.09930	1.6
244.09818	93.1
245.09634	16.7
246.10237	4.6
255.11238	1.2
261.12155	1.4
263.10446	2.2
269.12796	1.4
271.64383	1.1
286.09546	7.0
287.10355	5.6
287.13876	1.7
288.08759	7.4
297.12393	1.3
305.11316	2.4
312.13617	1.9
339.11945	1.7
340.12991	7.6
341.13895	1.6
370.17435	2.0
428.18967	1.4
442.19424	2.2
454.20120	1.2
468.17685	1.6
469.18161	11.8
470.19180	100.0
472.20782	8.8
474.21735	1.3
497.89636	1.2
565.26715	1.7
577.28809	2.2
589.25903	1.3
607.27625	34.4
610.66016	1.3
619.28009	1.8
637.28516	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.48061	2.4
65.89063	2.6
91.72170	2.7
93.55096	2.7
217.54213	3.3
276.73224	3.0
348.89005	3.0
388.24057	3.1
637.24078	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	637.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96154	1.5
59.01382	100.0
60.96413	1.4
66.82705	1.7
73.02145	1.8
73.74906	1.7
96.94818	2.2
101.02441	2.7
102.41989	2.1
113.88525	2.0
231.13902	9.6
255.35094	2.0
374.63705	1.9
383.22275	7.4
401.23288	3.0
408.62854	1.8
619.31171	15.7
637.32538	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	637.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45054	1.5
59.01373	9.9
63.25225	1.7
65.28683	1.6
65.29050	1.6
66.50056	1.5
71.01361	3.5
80.69539	1.8
87.00859	2.2
89.02445	2.3
92.19484	2.4
94.81090	1.8
96.95959	2.2
101.02456	8.4
112.04036	43.4
113.02399	3.2
118.51156	1.9
125.02388	2.8
136.07677	11.2
138.09244	7.8
148.04060	16.1
149.04814	9.9
150.05608	79.9
161.04820	20.1
162.05612	4.4
163.02802	2.3
164.03520	3.8
164.07217	3.9
174.04346	2.3
175.06348	10.3
176.05898	3.1
179.08269	2.9
189.06454	2.2
191.08224	4.5
202.08757	65.3
216.32419	2.0
217.09755	8.8
219.11403	35.4
228.10234	3.3
232.08336	4.3
233.08920	3.7
239.11636	3.3
241.09827	8.1
242.10291	2.8
244.08395	8.3
245.09296	57.3
245.12933	9.0
246.11256	3.2
262.09494	10.1
263.10330	44.7
269.13141	2.0
285.12335	3.1
287.13959	10.2
289.11951	8.9
307.12921	8.2
381.18115	3.3
426.16760	44.4
470.19354	100.0
472.20007	3.6
523.37024	1.9
549.00684	2.1
563.25128	14.3
577.28674	14.2
593.26404	12.4
607.27814	18.5
619.26379	6.3
631.16406	2.0
637.28046	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75595	1.8
59.01377	13.7
61.98826	2.5
64.25759	1.9
65.28442	1.8
70.67348	1.7
71.01376	9.8
76.17580	2.0
89.02435	4.6
92.46063	2.2
97.27976	1.9
98.83810	2.2
101.02436	11.3
113.02492	3.0
119.84892	2.0
125.09691	10.7
185.11906	3.9
187.14912	3.8
209.11890	4.3
213.12837	5.1
231.13904	21.0
233.11832	4.8
235.13446	2.6
237.29294	2.8
245.15533	3.0
302.07761	2.5
311.12933	2.9
325.14462	11.5
330.37622	2.4
339.23148	3.0
343.15735	2.8
383.22479	21.0
401.23352	13.7
401.50665	2.2
415.65637	2.2
461.43478	2.2
590.35797	2.3
619.31366	100.0
637.24475	2.6
637.32593	36.5
639.23535	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	637.3393
Annotation	Pimelea factor P2
Peak:m/z	Relative Intensity
53.43826	3.0
54.16686	2.8
59.01401	5.4
59.99709	3.2
62.28063	3.5
64.88522	4.2
92.10814	3.5
97.02899	3.3
101.08623	3.3
103.38848	3.9
109.02901	6.4
116.92857	17.4
122.03717	14.6
123.04515	4.7
137.02486	25.0
149.02432	4.5
161.06100	4.4
165.01910	56.1
168.56958	3.3
169.08488	3.8
179.03549	6.7
186.13634	3.4
205.05043	13.3
244.07465	6.0
245.15877	3.4
313.17993	4.7
346.08990	4.4
387.28513	4.5
599.01996	4.1
637.33875	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	637.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30904	1.8
59.01368	2.3
72.64409	2.1
72.73782	1.9
75.71165	2.0
80.89113	2.0
82.27307	2.0
83.01366	2.6
95.53110	2.2
109.02984	4.6
122.03758	18.5
123.04544	3.2
131.42964	2.4
136.13956	2.8
137.02443	23.5
149.02455	3.4
161.06091	5.0
164.01141	3.4
165.01920	43.3
179.03418	3.0
203.06946	3.8
205.05087	5.0
231.02885	2.6
272.13849	3.1
277.21674	4.9
295.22665	12.4
304.12921	4.5
308.83899	2.4
319.22891	5.4
331.31885	2.3
338.95486	2.5
341.21027	4.3
485.29367	2.6
516.04431	2.3
637.34137	100.0
637.44519	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	638.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09387	0.8
58.02974	12.5
70.02982	7.4
72.00894	0.9
76.19234	0.9
84.66184	0.8
88.55505	1.0
89.85232	0.8
91.05515	9.7
92.19524	1.3
97.48812	0.8
101.24995	1.0
110.09199	0.9
114.77197	0.8
147.04504	19.9
164.07175	79.6
206.08231	100.0
250.07300	3.5
424.26413	1.0
440.20383	0.9
508.80341	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	639.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74965	4.9
61.58990	5.3
69.19783	5.2
69.38103	5.1
73.30217	5.5
87.40380	5.3
92.24846	5.2
93.69151	5.7
96.96001	9.4
100.88111	5.6
121.42082	6.4
137.02452	35.0
164.01154	12.7
165.01929	28.3
205.37161	5.8
258.41678	5.4
288.93082	6.7
315.05142	29.6
331.04535	33.0
356.69031	5.3
603.11493	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	639.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18069	1.8
65.52713	2.3
68.15651	2.2
118.14155	2.2
151.00313	4.1
187.08243	2.2
189.79474	2.2
259.02307	3.7
271.02490	5.0
287.01996	13.0
315.01520	80.0
316.02267	20.4
330.03796	92.4
331.04623	29.1
424.59088	2.5
533.56561	2.4
598.98285	2.6
639.15808	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	639.1576
Annotation	PHA-665752
Peak:m/z	Relative Intensity
51.47150	2.0
64.61459	1.9
67.96506	2.0
79.90318	2.2
116.92869	3.8
126.76710	2.0
134.47803	2.0
137.02434	2.9
165.01932	2.8
285.03979	5.2
287.01993	11.4
315.01483	56.4
330.03830	100.0
331.04700	5.5
400.72321	2.9
543.17908	2.5
639.06256	2.9
639.16022	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17329	0.5
53.42928	0.4
56.59302	0.5
71.01379	12.7
71.41505	0.5
75.73035	0.6
79.16669	0.6
82.58173	0.6
86.52033	0.7
103.53446	0.6
105.10052	0.6
115.00357	7.1
117.03461	2.6
134.02713	1.1
134.03745	32.0
149.06073	8.7
167.03502	1.0
178.02736	5.0
193.05069	100.0
285.64056	0.7
309.06201	14.0
417.96335	0.7
526.95862	0.7
542.49640	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	639.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41049	0.7
57.02211	0.8
57.34924	0.8
61.83353	0.8
90.06332	0.8
93.69933	0.8
108.81339	1.1
128.42769	1.0
151.00282	1.5
185.85327	1.1
226.02306	0.8
241.01482	1.1
242.02104	2.0
258.01465	1.5
270.01773	2.1
271.02594	4.3
273.04111	12.4
274.04807	1.0
285.04150	1.8
286.01254	4.0
287.01941	4.4
287.05460	1.5
301.03552	11.1
302.04593	1.0
315.01508	28.0
315.04797	1.7
316.05829	3.7
329.03036	64.7
330.03839	51.1
344.01312	1.8
344.05374	37.4
345.06183	78.2
510.63062	1.0
513.81342	1.0
524.80072	1.0
639.15820	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	639.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41831	0.8
78.21800	1.0
85.02934	3.6
88.98460	0.9
90.82166	0.9
116.92833	5.4
140.81810	1.0
173.04578	1.0
191.05626	100.0
208.27032	1.0
227.03482	5.9
255.03017	12.6
256.03876	1.1
284.03290	45.5
285.03989	8.3
300.02713	1.4
301.03674	1.1
447.09323	43.9
639.16071	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	639.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28544	0.8
56.96410	0.8
61.03763	0.9
74.86126	0.8
76.17872	0.9
81.03471	1.0
95.04934	1.2
96.71266	0.9
106.53819	0.9
109.02941	12.7
111.04523	29.1
123.00890	1.5
125.02447	15.1
128.05698	1.1
137.02483	1.0
138.03276	1.0
139.04013	68.5
151.04095	1.4
161.02458	1.2
164.01178	14.2
166.02637	1.5
167.03537	11.3
178.02756	1.8
179.03500	42.6
181.05072	1.6
195.06592	3.4
290.00876	0.9
303.68564	1.0
319.08246	100.0
333.66684	1.1
348.87170	1.0
515.02924	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	639.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61527	0.5
57.48105	0.7
71.01379	4.0
72.99289	0.7
89.02412	0.9
92.19503	0.9
96.96024	0.6
115.00352	17.9
116.92796	0.9
121.02902	0.9
125.02397	1.0
125.06060	1.6
133.01427	100.0
135.04514	12.8
151.07645	1.2
178.60811	0.7
179.03502	36.5
184.07361	1.0
191.10765	1.2
199.35011	0.7
201.25845	0.8
203.10794	2.7
207.06628	1.0
286.01248	0.7
287.02014	1.4
293.06638	0.7
295.04630	15.0
295.07962	1.3
295.11713	7.9
328.47720	0.6
343.14023	0.9
439.42599	0.8
554.20941	0.7
554.31036	0.7
595.13110	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	639.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	6.3
71.27378	0.7
71.84576	0.8
89.80027	0.8
97.88686	0.9
105.37071	0.8
115.00357	18.5
119.04996	0.9
121.02910	0.9
125.02475	1.0
133.01428	100.0
133.05028	2.0
135.04517	13.9
163.04041	9.8
167.03450	1.0
179.03510	33.2
181.08710	15.6
279.04874	1.0
295.04568	11.6
295.07819	1.9
295.11377	1.0
343.14081	3.9
397.17538	1.1
446.16196	1.0
639.22961	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	639.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21081	0.7
57.13955	0.8
59.01386	17.6
67.20553	0.7
71.01370	8.1
79.54454	0.9
85.02953	1.1
87.00880	1.4
87.82218	0.7
89.02436	18.8
92.19462	2.4
101.02443	10.1
113.02434	5.5
117.03461	4.3
119.03500	6.5
119.05029	9.3
145.02954	100.0
153.05455	0.8
161.04552	3.3
161.25232	1.0
163.04042	13.9
179.05672	6.6
323.13522	45.0
325.09302	58.0
366.33429	0.9
396.52133	1.0
439.35416	0.9
560.68744	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	639.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
71.01357	5.5
82.13580	0.7
84.08075	0.7
89.02428	1.8
110.71350	0.7
115.00359	20.6
117.25002	0.7
121.02922	1.4
125.02412	1.1
133.01425	100.0
135.04526	14.2
141.84331	0.7
179.03493	32.5
181.08725	0.8
197.66615	0.7
200.05984	0.7
295.04663	13.8
481.61700	0.8
608.64362	0.8
639.23492	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	639.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
60.38861	1.1
62.40407	1.1
66.58022	1.2
76.31264	1.3
76.85223	1.3
85.02937	1.4
93.77253	1.2
105.70531	1.5
108.02156	6.3
109.02941	10.1
111.63224	1.3
121.02956	2.4
123.04535	8.4
137.02417	1.6
148.05287	3.1
151.03966	4.9
155.05022	1.5
159.04541	5.5
160.05275	13.1
163.07602	5.6
172.05287	7.6
173.06042	16.3
175.07747	1.3
187.07675	2.1
204.04256	1.8
207.06656	2.4
217.05066	35.4
219.06635	8.0
231.06580	15.3
281.08313	2.4
296.10583	10.5
311.12885	8.0
340.09454	8.1
347.40912	1.7
355.11899	28.8
373.12927	100.0
500.54758	1.6
553.42395	1.8
621.72150	1.5
639.28845	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	639.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52033	2.4
53.88725	2.8
59.01385	65.1
71.01375	24.4
73.02928	2.9
78.28381	2.5
85.02960	4.6
88.31451	2.4
89.02436	28.9
92.19463	5.3
96.95987	26.9
101.02424	24.0
113.02454	11.1
116.92865	18.3
117.05543	3.0
119.03477	15.8
121.02951	37.7
139.09039	2.3
160.27812	2.8
165.09204	3.2
179.07004	2.8
297.18585	89.5
315.19662	16.1
336.66229	2.9
373.25601	4.0
431.46838	3.2
436.64453	2.6
446.65997	2.7
477.24954	100.0
490.10602	3.1
503.19214	4.0
504.56409	2.9
521.19946	10.7
543.22577	19.1
579.20062	13.5
639.21875	58.6
639.30560	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.5
71.01401	10.8
104.33311	6.8
115.84476	7.0
121.02954	100.0
139.97215	7.2
145.08705	47.8
176.97594	8.0
315.36356	7.9
451.21869	37.0
509.93979	8.6
512.83160	8.0
603.24420	11.7
639.21967	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82890	0.6
59.01379	2.8
65.23367	0.6
70.11174	0.5
70.49681	0.6
71.07120	0.6
80.84076	0.7
83.43230	0.6
99.22059	0.7
119.47980	0.7
121.02951	100.0
201.21582	0.6
218.37137	0.7
421.19446	1.1
439.19540	1.0
481.20959	1.1
603.24915	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	639.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88756	0.6
52.10569	0.6
57.03454	0.9
59.01387	94.3
60.48028	0.6
70.13993	0.7
71.01371	6.1
72.19917	0.7
73.02947	1.1
74.44877	0.8
77.16763	0.7
85.02951	10.9
89.02456	1.7
89.09474	0.8
95.01384	0.9
97.02946	1.7
101.02441	3.4
110.39478	0.7
113.02455	21.6
115.04102	1.0
118.10272	0.8
121.02955	100.0
137.09674	1.1
146.76924	0.7
161.04541	4.9
166.79259	0.7
173.04607	0.8
177.09259	0.9
181.08754	1.3
185.09698	3.6
191.10712	1.0
201.12866	4.7
203.10785	5.9
211.11310	1.8
219.13937	1.3
221.11835	3.5
229.12253	5.1
247.13319	10.1
265.14273	0.7
279.16095	0.8
307.15546	27.5
343.15591	1.4
361.16818	1.6
367.17542	1.7
403.17514	1.0
421.18768	3.3
579.28107	5.9
603.24695	3.2
639.31281	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	639.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93349	8.2
56.46388	8.7
56.73083	7.6
59.01381	18.8
59.08802	7.8
71.01391	9.4
73.02999	8.9
77.86731	11.2
89.02467	10.3
92.19476	9.7
109.72090	11.3
113.02412	11.1
121.02973	100.0
137.02501	10.0
193.08714	12.0
329.17490	52.3
373.16434	11.2
379.81979	10.0
579.18109	13.2
639.21393	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35746	0.8
59.01379	30.9
71.01383	16.2
85.02953	0.9
89.02437	34.2
101.02433	21.2
113.02454	11.8
117.05563	19.8
119.03490	11.7
123.04504	1.0
131.03485	1.6
144.31187	0.9
159.06612	0.9
167.03497	4.3
167.19833	1.0
177.87112	1.2
179.05614	1.1
279.10852	100.0
281.04745	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	639.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00993	1.0
53.77415	1.0
59.01380	36.0
62.54490	1.1
64.84149	1.0
70.86019	1.1
71.01382	15.4
85.02933	1.9
89.02439	37.1
89.63224	1.1
101.02439	21.0
113.02429	13.2
119.03487	19.0
153.05569	1.8
168.62007	1.2
275.65076	1.2
315.89905	1.2
323.13486	100.0
382.04849	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	639.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88426	5.7
55.06852	5.4
55.85091	6.1
59.01377	35.9
59.28358	6.0
61.22753	5.6
61.55720	6.1
62.95415	5.2
64.92580	8.4
85.02925	7.8
96.42202	7.0
113.02431	16.0
121.02954	100.0
124.52012	8.1
170.45065	6.7
227.82970	6.5
294.40320	7.5
307.15585	10.4
513.14215	7.3
565.95978	7.6
590.56470	7.5
604.39545	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	639.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
60.08207	0.4
71.01376	1.8
73.02953	0.5
85.02942	0.4
87.00882	2.1
101.02427	1.3
104.20815	0.3
106.39551	0.3
113.02457	0.6
121.02953	100.0
126.02035	0.4
129.57553	0.3
135.04561	1.4
141.28102	0.4
161.04485	0.4
166.01436	0.3
252.85928	0.4
286.81674	0.4
306.84845	0.4
457.20929	2.1
579.24469	18.7
639.30847	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31439	1.1
53.40926	1.2
56.33149	1.2
59.01385	100.0
66.49277	1.1
68.16123	1.4
93.69176	1.4
97.48747	1.4
102.15276	1.3
134.83824	1.4
147.04523	2.7
191.06833	1.4
224.99358	1.5
227.87216	1.5
450.37805	1.5
519.23633	3.0
639.31097	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	639.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87843	1.5
61.98830	1.9
75.00880	17.0
99.00858	2.0
104.25441	1.7
119.00919	1.8
121.02940	6.9
129.54041	1.8
138.03220	2.5
144.29718	2.0
151.03943	2.3
165.01907	9.0
179.07167	3.4
180.11014	1.8
191.14445	19.1
221.15485	76.9
237.14961	8.9
239.16515	3.6
265.14468	100.0
270.29370	1.8
373.12860	11.3
603.24713	3.1
639.28552	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	639.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.6
59.01387	44.5
71.01382	20.6
80.86124	1.4
85.02959	2.1
86.93175	1.6
89.02438	26.2
95.01384	1.4
96.96000	5.5
99.32742	1.3
101.02451	25.4
113.02451	12.4
116.92865	10.3
119.03480	12.2
121.02960	8.3
123.22298	1.2
137.02477	2.1
153.56705	1.2
155.80762	1.3
297.18600	88.9
315.19766	16.0
332.71774	1.3
355.24661	1.8
376.83096	1.6
379.85574	1.3
475.85504	1.3
477.24969	100.0
521.20349	1.9
543.22028	2.0
639.21643	13.2
639.30493	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63732	1.1
59.01385	100.0
60.24604	0.8
66.66698	0.9
71.01383	21.3
73.02937	6.0
83.01389	1.4
85.02951	6.9
89.02445	18.0
95.01390	2.2
101.02447	18.1
113.02451	19.0
116.92824	4.3
119.03478	6.0
123.04544	1.3
131.03557	1.2
149.04597	1.9
152.90111	1.2
161.04547	8.0
162.06808	1.3
179.05608	4.2
273.61133	1.1
297.18625	13.5
315.19690	6.5
357.20871	2.4
358.10361	1.4
373.12714	2.1
417.26456	3.9
477.25027	25.4
519.26147	2.2
521.33826	1.5
537.27124	4.4
579.27515	4.1
639.29260	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	639.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17432	1.3
57.03477	1.1
59.01383	100.0
59.94371	1.4
61.98829	2.2
67.06256	1.3
71.01378	5.7
73.22199	1.3
74.90501	1.4
74.96935	1.3
83.87785	1.2
89.02445	6.1
94.71468	1.3
101.02451	4.9
113.02429	2.9
120.29194	1.5
132.35194	1.6
136.05301	24.3
149.06056	2.1
165.09209	41.7
176.90239	1.4
213.34071	1.6
311.22241	24.0
320.94232	1.3
417.22751	39.4
459.31244	11.8
476.31305	1.8
477.32141	20.9
639.37848	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.59850	0.6
68.51366	0.6
69.31375	0.7
71.01373	6.6
73.02948	4.1
83.01379	1.4
85.02930	2.9
89.02428	1.5
89.94281	0.6
92.19450	1.3
96.96004	1.7
101.02455	6.0
105.25584	0.7
110.33533	0.6
113.02425	4.3
119.03496	0.7
125.02408	1.0
161.04579	1.1
165.18643	0.7
191.05598	2.6
217.05177	2.4
281.42691	0.7
373.12833	4.1
434.75357	0.7
459.23990	1.1
519.26031	5.2
537.26898	4.2
579.28143	12.2
639.35535	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	639.3034
Annotation	Scupontin D
Peak:m/z	Relative Intensity
59.01385	100.0
59.01689	3.6
59.89198	1.3
68.78064	1.5
71.01364	3.4
73.02888	1.4
83.01379	1.6
85.02972	2.2
101.02439	2.7
113.02425	3.3
121.02935	10.8
148.78969	1.5
161.04492	2.4
163.10674	1.4
192.19075	1.6
198.92661	1.4
329.40024	1.7
579.28387	6.3
633.35254	1.7
639.30554	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	639.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74611	1.8
56.34391	1.6
57.62587	1.7
59.01385	36.5
60.17027	1.5
60.56017	1.8
61.98833	1.8
71.01361	12.7
73.02920	3.3
83.05019	2.5
85.02940	4.8
85.06578	2.9
85.51500	2.0
87.00870	4.9
89.02435	4.6
94.22615	1.9
95.01453	2.4
101.02420	13.2
109.06593	2.3
111.08138	8.9
113.02399	9.4
125.02409	2.5
125.09690	9.3
135.08205	3.1
137.09669	2.2
145.05125	2.6
161.04546	3.0
165.09184	1.9
171.10260	56.6
205.15956	3.9
209.11731	3.8
211.13356	7.9
215.14363	3.7
231.13881	6.7
233.15451	30.3
235.08208	3.4
249.14941	19.5
253.09326	2.7
313.25116	2.5
315.86301	1.9
331.26285	2.3
341.24750	4.6
359.25946	2.8
385.23767	12.7
403.24902	24.4
421.25977	2.7
621.32831	43.8
639.33881	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	639.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12217	0.8
59.01385	27.0
61.98840	3.9
69.03459	1.1
71.01380	14.0
73.02942	4.6
73.96984	0.9
77.70548	1.1
83.33974	1.0
85.02954	6.1
89.02420	9.5
89.84426	0.9
92.20017	2.2
98.53174	1.2
101.02432	12.6
109.02924	1.4
113.02438	6.1
116.92878	2.4
119.03501	5.0
121.02972	1.2
122.03724	1.3
123.04505	4.7
125.02396	2.5
130.28690	1.1
137.02440	1.9
143.03426	1.2
151.04045	2.4
160.05238	1.4
172.05330	1.3
173.06114	2.3
217.05054	6.4
231.06570	2.4
241.04994	5.5
243.08232	1.2
289.07190	2.4
296.10635	1.2
297.12070	2.0
313.24002	2.4
340.09698	1.4
341.26950	10.3
355.11835	1.9
359.28046	61.1
373.12927	18.9
385.07138	5.0
403.18875	1.1
417.09927	6.2
417.26312	1.7
427.54309	1.1
477.12088	7.9
477.23801	1.7
503.32349	6.0
521.33331	77.5
603.25940	1.5
639.36224	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	639.3759
Annotation	Cilistol j
Peak:m/z	Relative Intensity
50.26109	2.0
51.70393	1.7
59.01385	9.3
60.52893	2.3
72.11552	2.2
92.20110	3.6
103.49152	2.0
114.55853	2.4
121.02945	24.7
136.05305	48.7
137.80844	2.1
149.06064	2.9
150.06876	3.1
155.57324	2.2
165.09207	84.9
180.33800	2.1
187.52979	2.3
196.56892	2.2
232.76054	2.3
311.22211	39.8
459.31149	16.4
476.31290	4.7
477.32141	40.0
639.27911	6.8
639.37543	100.0
639.48163	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	640.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
61.98840	10.9
62.68224	2.0
64.10471	2.3
73.50077	2.3
73.96498	2.4
100.53422	2.3
109.02962	9.5
123.04536	4.7
125.02449	100.0
137.02472	18.4
146.97328	2.2
149.02415	4.2
151.04021	12.5
159.04356	2.5
161.02408	21.0
164.01196	3.4
165.01880	3.4
172.99190	2.3
175.03973	9.7
177.01888	5.3
179.03561	10.2
187.04109	3.5
203.07127	16.2
205.05074	11.3
245.04538	10.8
245.08147	19.6
255.03008	3.0
256.03888	4.8
257.04544	4.0
257.64966	2.6
281.04559	4.4
285.03989	3.4
287.05576	5.4
289.07162	46.4
299.05536	2.8
339.08835	3.6
407.07718	54.6
425.08813	49.0
451.10376	5.6
577.13544	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04021	2.6
52.06544	2.4
53.28118	2.6
54.54105	2.3
61.98827	3.1
65.31546	2.8
82.89602	3.0
92.20053	12.0
109.02939	12.8
121.02959	3.3
123.04540	3.8
125.02438	100.0
129.29198	3.1
137.02428	17.4
149.02449	4.2
151.03987	12.6
161.02399	26.0
165.01936	5.5
175.04008	11.9
177.01915	3.9
178.33371	2.7
179.03406	10.4
187.03993	7.2
203.07133	12.5
205.05037	16.8
229.05119	5.0
245.08163	21.7
255.02855	6.6
256.03500	3.0
271.06250	3.7
281.04486	12.6
289.07224	38.4
334.80066	3.0
339.08755	6.8
407.07693	58.6
425.08923	69.4
451.10431	5.7
481.08493	3.4
577.13605	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34668	3.6
57.03436	3.7
57.45646	3.2
59.41351	2.8
61.98838	5.1
92.53163	3.4
109.02917	7.2
116.86369	3.1
125.02438	100.0
135.33661	3.5
137.02478	18.2
151.03979	13.1
161.02466	23.9
165.01923	4.2
175.03972	13.3
179.03479	5.9
187.03940	3.7
189.12735	3.6
203.07152	15.0
205.05070	15.2
227.07141	3.5
245.08276	28.1
255.02971	5.0
256.03729	4.8
281.04681	5.4
285.04214	3.8
287.05573	6.5
289.07309	49.1
339.08984	6.8
407.07822	42.1
425.08939	48.5
451.10367	8.2
577.13666	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	640.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88245	0.6
53.17953	0.6
54.56514	0.6
74.23422	0.8
88.52966	0.7
89.33453	0.7
101.02406	0.9
117.03424	4.3
119.05020	21.7
125.02396	1.4
130.08742	3.1
133.01410	4.5
145.02951	100.0
161.04535	1.6
163.04001	18.6
175.06041	1.0
193.07164	3.3
241.04623	0.8
300.19290	3.3
339.10849	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	16.1
85.02943	1.0
108.02164	4.4
109.02934	8.4
116.92849	2.4
117.92807	0.8
121.02921	0.7
122.02480	3.0
123.04520	9.2
133.19066	0.7
134.03705	0.7
136.01691	0.7
137.02449	1.4
148.05298	1.5
151.03973	3.8
155.05035	1.0
159.04527	3.5
160.05304	13.2
162.06905	0.9
163.07648	4.3
170.39766	0.7
171.04477	0.7
172.05286	5.9
173.06075	18.0
174.06674	0.8
175.07607	3.2
187.07629	1.6
204.04225	2.7
207.06564	2.9
217.05060	32.8
218.05774	1.0
219.06587	6.9
229.21558	0.9
231.06599	15.9
231.59029	0.7
237.07739	1.3
281.08298	1.6
295.09698	0.9
296.10489	8.9
311.12817	6.1
340.09586	10.6
355.11877	23.4
373.12930	100.0
429.27829	0.8
640.27594	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	640.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18431	0.5
59.01363	0.8
61.98834	20.6
85.02953	1.1
108.02167	4.2
109.02937	10.8
115.06874	0.7
116.92857	1.0
122.02438	4.2
122.03711	0.7
123.04505	7.6
137.02380	1.1
148.05341	0.9
151.03966	4.0
155.05020	0.8
159.04527	3.0
160.05299	13.8
162.06873	0.8
163.07614	4.4
171.04492	0.8
172.05312	6.7
173.06061	17.3
174.03165	0.8
175.07571	3.4
178.06284	0.8
187.07613	2.9
203.03340	0.7
204.04265	3.6
207.06567	3.1
217.05049	41.0
218.05815	1.0
219.06557	6.7
231.06606	21.6
236.73737	0.8
237.07619	1.2
244.69293	0.7
281.08224	1.4
289.07236	0.9
295.09720	1.1
296.10593	9.2
311.12891	6.7
340.09515	10.5
355.11896	23.1
373.12918	100.0
492.28659	0.8
506.94888	0.7
548.87085	0.7
640.27747	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	641.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68479	2.4
67.12028	2.8
81.03470	4.5
83.01355	3.5
97.02917	3.6
109.02944	65.8
123.04518	3.1
123.08202	3.5
124.01719	2.9
125.02453	50.6
135.00868	3.4
137.02435	23.2
145.06644	3.3
147.04504	4.1
147.08107	6.5
149.06070	13.2
149.67232	2.6
151.03961	3.7
153.85951	2.7
161.02530	6.7
161.06067	3.8
163.00391	11.3
163.07623	4.2
163.71469	2.6
164.01172	22.7
165.01938	73.3
165.09200	5.7
166.73120	2.4
167.03496	80.4
173.06053	13.6
175.04008	3.0
177.01912	6.3
187.07610	5.5
189.05586	22.9
191.03505	12.3
191.07144	16.1
201.30386	3.0
203.07141	11.8
207.06668	3.2
213.05533	16.2
215.03703	3.5
215.07161	43.6
229.05270	3.4
231.06627	81.9
233.08202	36.3
245.04234	2.5
257.04514	23.4
259.06067	36.6
275.05630	31.4
277.07141	33.4
285.04114	15.7
319.04507	34.7
321.06210	35.3
351.08606	5.3
377.06686	5.8
395.07611	10.8
427.10458	3.0
439.06537	3.1
487.08719	6.5
553.13470	6.6
579.11267	5.9
597.12585	59.6
620.29425	3.3
623.10254	10.2
641.11481	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	641.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75099	1.4
56.33944	1.4
59.01383	4.6
60.73909	1.6
64.53574	1.8
79.91485	1.8
90.68638	1.8
109.02962	17.4
111.04509	21.7
119.54821	2.0
123.00835	3.3
124.01633	3.4
125.02436	17.9
135.04639	1.8
137.02454	12.1
138.03247	19.3
139.04015	100.0
151.04004	4.4
161.02478	2.3
163.00336	10.7
163.32195	1.9
164.01157	27.2
165.01942	2.6
167.03477	10.4
176.56523	2.0
177.01886	20.3
178.02757	13.8
179.03503	83.2
195.06569	2.7
204.00723	2.1
269.04578	3.9
270.05203	2.3
273.22528	2.0
285.07755	3.4
296.03149	2.6
299.05652	3.3
302.13763	2.8
319.08292	23.4
359.07513	2.7
437.08835	11.8
451.10260	8.3
465.12204	4.7
573.13971	10.0
587.16150	2.4
605.16650	97.2
641.22803	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	641.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41762	0.5
59.01380	13.8
70.02124	0.5
71.01379	11.0
73.02927	0.5
75.29092	0.4
85.02928	0.9
89.01899	0.5
89.02435	20.2
93.03450	31.6
101.02435	9.2
113.02450	8.0
117.39027	0.5
119.03486	9.3
131.03455	0.6
137.02441	100.0
143.03464	0.7
161.04564	1.1
179.05608	4.3
200.23706	0.5
204.24020	0.5
299.07733	9.8
333.39944	0.6
341.10892	69.2
574.18793	0.5
641.19525	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	641.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73158	0.7
56.57715	0.7
59.01140	0.9
59.01385	14.7
71.01372	10.7
85.02948	0.7
87.00909	0.7
89.02445	20.1
92.19453	1.7
93.03450	27.6
101.02448	7.4
113.02470	6.6
119.03473	9.1
134.43829	0.7
137.02446	100.0
142.40103	0.7
143.03476	1.4
154.61880	0.7
157.24120	0.8
161.04480	1.0
167.03590	0.9
179.05618	4.5
179.41998	0.7
225.61758	0.8
289.14703	0.7
299.07764	8.3
335.72528	0.7
341.10913	65.4
424.87292	0.8
461.13757	0.8
600.45703	0.9
641.19910	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	641.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38105	0.2
51.41359	0.2
55.88208	0.3
59.01384	0.4
59.89957	0.3
71.01361	0.4
81.43108	0.3
85.02968	0.3
87.00887	0.6
88.91067	0.3
89.02450	0.6
102.10400	0.3
107.88865	0.3
117.03451	2.3
119.05016	8.9
123.04511	21.1
125.02425	0.7
135.04477	0.5
145.02951	90.3
146.03276	2.9
147.03621	0.5
153.05566	100.0
161.04553	3.2
161.05710	0.4
163.04018	11.3
167.03484	0.4
179.05580	4.8
194.06445	0.5
249.23277	0.4
285.14816	0.3
305.06610	0.4
315.10880	40.8
325.09293	44.0
326.09430	2.1
327.09747	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	641.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.6
64.20098	1.6
84.10014	1.8
89.02431	2.9
101.02437	1.8
117.03425	2.2
119.05015	7.5
121.10539	1.6
123.04522	20.3
145.02951	98.1
153.05576	100.0
161.04501	2.8
163.04042	9.4
179.05579	7.3
191.05574	1.9
195.82263	2.0
220.65355	1.6
255.79657	1.7
315.10849	47.6
323.13562	3.4
325.09296	70.2
325.13150	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	641.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42883	0.6
59.01384	7.9
66.40853	0.7
69.03472	1.2
71.01378	5.2
72.99290	1.3
75.00865	0.7
79.14394	0.8
81.03461	2.0
85.02931	3.3
87.00865	1.2
89.02447	9.2
93.03429	1.1
95.01360	1.0
95.05032	3.2
97.02944	11.3
101.02425	5.9
103.03999	1.0
108.02145	1.5
109.02923	3.3
111.04508	3.2
113.02428	4.4
119.03438	2.8
119.05028	0.7
122.03745	1.1
123.04519	61.3
124.04769	1.0
125.02448	4.1
135.02959	6.8
137.02432	3.4
139.04048	1.8
147.06656	0.8
152.01155	3.1
153.05569	100.0
154.69453	0.8
163.03976	3.3
165.02019	1.0
165.05507	1.0
169.05045	16.4
177.01904	3.9
177.05536	1.8
189.01945	8.8
193.05031	1.5
197.04562	55.7
203.03485	1.6
203.07239	0.8
233.04619	0.9
265.09302	1.5
303.27808	0.9
309.11890	23.4
309.80682	0.8
315.07144	3.4
316.07516	1.4
325.05591	10.6
331.10468	7.6
341.10480	1.3
342.72083	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	641.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26010	0.6
59.01388	10.5
63.61179	0.7
64.83338	0.6
64.94627	0.7
71.01364	1.6
71.55198	0.7
97.51340	0.8
121.02950	100.0
134.55229	0.7
137.05952	0.9
167.07135	1.1
186.80127	0.8
275.10321	0.8
354.57904	0.7
411.66461	0.7
423.20432	0.8
505.01532	0.9
543.22437	1.6
545.23889	14.9
581.19763	1.1
605.26233	5.5
641.22607	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	641.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48962	2.3
51.92131	2.9
54.03358	2.8
59.01389	47.2
66.76476	3.5
71.01407	4.6
79.59007	3.6
81.03457	15.9
82.73361	3.5
85.02940	4.9
88.13409	3.3
89.02444	3.5
91.58494	3.0
92.19396	3.3
94.98075	6.3
99.04520	37.6
121.02947	100.0
121.06574	3.2
123.04479	4.1
145.24973	3.3
149.06088	33.4
149.09738	3.6
167.07133	33.6
177.09180	34.2
185.08144	4.1
195.10274	21.5
209.11850	6.1
237.11343	32.5
318.83624	3.4
345.16998	15.2
405.19141	18.8
423.20251	12.7
459.17737	7.5
483.21924	4.5
500.17419	3.7
519.20197	5.7
583.13397	3.4
605.17047	3.7
605.25299	24.4
613.41833	4.1
641.24072	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	641.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29700	1.1
51.34587	1.1
51.78194	1.2
56.80604	1.4
57.42016	1.3
59.01388	19.3
63.16881	1.2
65.45615	1.5
66.75018	1.3
71.01368	1.5
72.79724	1.5
78.57321	1.4
85.02910	1.8
89.02419	1.9
89.56515	1.5
89.59020	1.5
92.19469	1.6
101.02460	2.2
107.71629	1.4
113.02452	1.8
121.02953	100.0
123.04514	2.0
197.80853	1.4
238.28659	1.7
288.81763	1.5
337.45706	1.4
484.39444	1.7
545.23779	16.2
581.21503	3.5
605.26721	1.7
641.23712	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	641.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	5.3
59.01386	100.0
64.26398	2.8
69.98820	2.6
71.01405	5.0
73.12812	3.2
81.74920	2.8
85.02934	3.3
92.19489	5.9
93.03423	4.9
101.02435	7.1
108.25087	2.5
113.02454	13.9
116.70794	2.8
116.92814	3.9
121.02954	84.6
123.04453	3.7
136.43353	2.9
137.02481	21.1
163.15590	2.7
173.09662	22.1
225.09094	3.6
241.12315	4.6
251.10626	4.0
269.11768	16.8
287.12900	20.8
297.18921	3.6
329.13876	6.8
347.15170	12.8
407.17249	5.3
423.20248	43.7
479.25360	4.9
483.22464	44.0
519.19824	25.3
539.28619	6.4
641.33649	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	641.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	3.6
59.01385	80.3
70.29400	2.0
71.01387	7.8
72.07565	2.0
75.20540	1.8
77.51901	1.8
85.02956	1.8
89.02423	7.8
113.02438	3.1
121.02955	100.0
160.05237	1.8
168.61485	1.9
173.05949	1.9
217.05061	2.4
374.13046	2.2
375.13300	7.5
441.21570	3.0
443.83270	2.2
445.00824	2.1
483.22531	8.4
536.30933	1.9
545.24158	19.1
605.26221	22.9
641.23218	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	641.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90698	0.9
58.69807	1.0
59.01386	100.0
61.26322	0.9
61.98844	1.6
84.50038	1.1
88.62834	1.1
89.92805	1.0
96.76603	1.2
101.02421	1.2
121.83153	1.1
125.02508	2.5
165.01924	1.7
315.05008	1.3
359.15109	4.6
375.27429	2.4
419.17068	1.7
448.39099	1.4
455.19241	7.8
461.18427	2.0
479.19464	1.5
486.56430	1.2
487.59903	1.3
497.20386	22.9
521.20300	2.7
539.21387	14.5
603.11548	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	641.3189
Annotation	Cussoracoside C
Peak:m/z	Relative Intensity
58.09800	0.8
59.01384	100.0
71.01396	1.5
71.83091	1.0
101.02401	1.6
113.02438	1.9
117.01987	1.0
136.50598	1.1
141.06668	0.9
161.07536	1.0
211.13364	5.0
273.30710	1.0
461.25528	4.0
464.67630	1.3
479.26141	4.7
521.27490	16.2
581.29431	7.5
641.32043	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	641.3188
Annotation	RUBUSOSIDE
Peak:m/z	Relative Intensity
59.01369	4.9
70.08008	0.8
96.96002	7.3
96.96933	2.5
101.02435	1.7
106.05673	1.0
121.02950	27.1
123.65018	1.0
134.03722	4.4
193.05072	1.9
299.19894	2.9
317.21255	18.3
327.39484	0.8
479.26505	100.0
605.26746	2.0
641.23682	3.0
641.31995	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98005	1.1
59.01385	100.0
61.67488	1.1
61.72760	1.1
61.85706	1.1
66.62418	1.2
81.56027	1.2
93.22264	1.5
152.99577	1.7
211.13438	11.5
248.41945	1.3
255.23322	1.6
335.21829	1.4
521.27673	6.4
539.28717	6.5
581.29852	42.4
641.37939	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	641.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81881	3.2
59.01099	4.5
59.01385	100.0
71.01382	7.0
73.02944	4.5
75.24228	3.4
85.02940	6.6
88.98780	5.8
89.02453	3.6
101.02413	5.6
101.04554	2.8
101.06076	4.0
110.83033	2.9
112.54435	3.4
112.65865	3.2
113.02417	12.3
115.41463	3.1
121.02966	3.8
158.58801	3.3
161.04521	4.9
202.35695	3.5
203.38992	3.3
205.04553	3.4
238.31238	3.3
391.49789	3.4
521.27570	33.7
581.29803	37.4
605.27411	5.9
628.49811	3.5
660.18451	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	641.3496
Annotation	(+)-Tenuicausine
Peak:m/z	Relative Intensity
53.81162	0.6
58.85308	0.7
59.11125	0.7
64.03934	0.8
64.56548	0.8
79.37859	0.8
82.33458	0.9
91.16620	0.9
94.44755	0.9
98.25990	1.0
160.73653	0.8
223.96991	0.8
225.89961	0.9
231.10303	0.9
237.08804	1.0
279.23282	1.4
313.14636	1.7
313.18057	7.2
315.16025	1.0
328.16833	3.1
329.17606	84.8
338.77658	0.8
382.95001	0.9
449.85193	0.8
546.31866	0.9
641.34949	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	641.3917
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
59.01387	30.1
60.82029	0.9
61.98821	1.3
68.33766	0.9
71.01375	4.4
77.00848	0.9
96.95965	1.3
101.02438	1.5
136.04308	1.9
136.05304	36.6
149.05949	1.2
150.06850	2.0
150.20483	1.0
165.09213	76.5
186.12244	0.9
255.11494	1.6
256.11661	1.3
313.23874	46.0
461.32901	15.9
478.33228	6.9
479.33731	37.5
493.35046	1.5
521.27545	8.8
576.14685	1.0
581.29907	8.8
641.39240	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	642.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41194	0.9
58.02372	1.0
59.29736	1.1
60.50193	1.1
61.98837	100.0
64.07668	1.3
77.30787	1.2
80.23124	1.2
84.28641	1.1
92.19436	5.1
108.67093	1.1
139.38612	1.2
165.01906	5.9
202.92595	1.4
274.66049	1.3
388.05939	12.6
403.08188	8.3
415.04706	2.1
547.10065	11.1
579.13019	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72497	0.9
55.65123	0.9
56.25338	0.9
59.01382	3.8
61.98837	100.0
62.83154	1.2
65.48631	1.0
65.57913	1.0
78.54772	1.0
92.20165	2.3
99.04721	1.0
102.76754	1.0
121.02947	2.3
137.33388	1.3
219.36334	0.9
220.97282	1.1
281.39063	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	643.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37811	1.1
59.01385	9.1
60.80412	1.1
61.62701	1.1
63.02421	1.4
71.01387	5.0
73.02933	1.3
73.38229	1.1
85.02950	1.0
89.02444	2.2
99.56652	1.1
101.02449	2.1
107.01370	8.0
109.42126	1.1
119.03497	1.5
123.02329	1.2
125.02431	1.7
137.02393	1.8
151.00374	43.3
160.86427	1.1
169.01414	4.7
178.99866	100.0
184.59811	1.1
197.06058	8.5
213.05612	2.5
215.07083	7.0
225.05589	25.2
228.04190	5.4
241.05048	21.3
243.06708	1.5
248.96831	1.4
259.06143	2.8
269.04425	1.5
287.05606	8.0
295.02490	2.2
316.02194	6.0
317.02878	1.6
463.12524	5.3
479.08524	1.8
485.71524	1.4
643.13141	31.7
643.33313	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	643.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96360	0.8
53.10494	0.9
57.03440	2.2
59.01380	5.7
60.12244	1.0
66.81488	1.1
69.03459	5.0
71.01376	9.1
73.02948	18.0
76.00108	1.2
78.95901	2.3
81.03417	1.2
83.01402	2.7
85.02955	55.4
87.00877	93.1
95.01380	9.1
96.96991	1.1
97.02952	28.3
103.04015	10.4
109.02988	1.5
111.00850	1.9
113.02447	48.2
115.00378	13.1
115.04001	2.7
125.34074	1.0
127.04056	1.5
129.01938	2.1
131.39001	1.1
139.00331	2.4
157.01384	8.3
173.04507	6.7
175.02489	29.3
207.14012	1.1
217.03551	21.8
303.07291	13.4
321.08273	6.1
479.10602	5.0
539.12482	5.5
625.16315	13.3
643.17413	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	643.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92433	2.5
56.99560	2.3
59.01377	4.4
63.75307	2.5
65.10825	2.8
71.01378	10.7
72.14751	2.5
73.02963	20.2
78.95889	2.8
85.02953	50.5
87.00875	100.0
95.01379	4.9
96.11769	3.2
97.02940	34.2
103.04005	10.4
113.02442	45.9
115.00378	11.2
115.03992	4.5
157.01399	6.3
173.04578	3.4
175.02452	30.6
217.03566	20.3
303.07242	13.0
321.08173	6.5
479.10696	3.8
625.16138	6.0
643.17352	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54644	5.1
59.01405	7.3
79.29842	5.7
100.39306	5.2
105.38378	5.9
111.85647	5.8
261.66141	5.4
454.11591	7.1
469.14505	100.0
497.13901	9.3
512.16223	69.2
540.15735	75.6
583.21405	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	643.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61370	0.8
59.01099	1.7
59.01384	28.0
60.24203	1.0
66.51198	0.8
68.78799	0.9
70.40506	0.9
85.02985	0.9
90.74497	1.0
93.29211	1.0
96.37775	0.9
103.12466	1.3
121.02951	100.0
145.02985	1.0
161.93726	1.0
169.44884	1.0
176.01086	1.0
191.03481	4.1
192.03943	1.6
193.04150	0.9
310.44031	1.1
333.13516	1.3
359.14972	1.4
419.17264	2.4
481.27316	1.8
483.06564	1.1
559.21906	48.3
601.23151	7.1
634.34955	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	643.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90199	57.7
51.25014	66.2
52.71880	56.8
58.85817	52.2
79.07346	73.6
89.86498	68.6
102.09431	71.1
117.30450	61.9
168.65686	75.2
179.11440	100.0
189.34991	66.4
207.52290	68.6
609.69879	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29602	1.2
52.75229	1.3
59.01388	18.8
59.50068	1.3
61.44555	1.2
61.98830	15.2
62.19818	1.4
67.35233	1.4
71.01372	9.3
83.01372	1.9
84.65829	1.2
85.02933	1.5
85.54565	1.3
88.98782	2.8
89.02412	6.2
95.01396	1.6
97.02918	3.2
101.02434	10.6
109.02917	7.6
113.02401	5.8
119.03494	1.7
121.02916	6.5
122.03752	21.9
123.04485	6.5
137.02454	23.0
138.03244	1.7
139.03999	1.9
149.02400	6.4
151.03946	1.7
151.07629	2.5
161.06050	3.1
164.01167	3.0
165.00597	2.2
165.01930	62.9
167.07005	1.8
173.05998	1.7
177.01891	2.5
179.03435	8.1
187.03954	2.1
192.81612	1.4
203.07103	9.1
205.05118	11.7
217.04994	2.3
244.07408	3.3
245.08324	2.2
247.06003	2.3
267.02924	1.4
268.03540	1.9
269.04465	6.4
288.06351	2.7
289.07037	2.4
311.16107	2.8
339.15994	2.6
355.11484	1.8
373.12738	6.4
419.07437	7.8
419.22440	2.1
463.30310	2.7
481.27002	2.5
481.32501	4.0
491.22876	8.3
599.34583	2.3
602.86365	1.6
643.27417	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	643.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.4
60.15822	0.8
63.14662	0.9
71.01370	7.2
71.13777	0.8
72.99281	1.0
74.12260	0.9
75.00874	29.5
83.01356	1.3
85.02956	1.2
88.40652	0.8
88.98791	1.8
89.02410	6.2
97.02913	3.7
100.33465	0.9
101.02443	6.3
109.02912	5.5
113.02435	1.7
119.03448	0.9
121.02888	4.2
121.03738	0.9
122.03745	17.8
123.04465	5.5
125.02444	1.5
137.02437	19.2
138.03171	1.1
145.02989	1.6
147.04485	5.1
149.02390	5.9
150.03186	4.8
151.03949	1.3
161.02446	1.4
161.05960	3.5
162.03189	3.6
164.01144	4.3
165.01929	69.2
165.05586	8.6
177.01883	1.0
179.03487	9.5
195.06624	1.6
202.06403	1.4
203.07109	6.2
205.05074	8.8
225.11467	1.0
225.14917	5.7
226.06161	1.3
244.07332	4.2
247.06021	1.3
288.06442	1.6
289.07132	1.5
311.16519	1.5
341.79050	0.9
375.27148	1.3
419.22031	1.2
465.43790	1.0
491.22626	4.7
608.40668	1.1
643.27594	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	643.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	95.6
64.10556	3.2
67.87862	2.6
71.01385	29.5
72.99304	12.9
73.02956	5.6
85.02961	5.9
87.00875	6.2
88.98782	5.0
89.02442	28.8
92.20080	5.8
101.02433	22.8
109.02925	4.0
113.02464	13.1
119.03542	4.8
121.02938	100.0
125.02463	4.1
129.02771	3.2
137.02399	7.1
146.03796	3.7
147.04465	3.9
149.06036	3.3
150.03201	5.8
155.10774	4.7
165.01958	26.8
165.05598	6.7
179.07106	6.9
185.69092	3.3
228.92348	3.4
231.13882	23.8
284.34271	3.5
329.12698	3.5
405.73557	3.2
477.25067	4.9
495.25974	59.9
537.27203	24.9
545.23810	11.7
555.28229	23.8
597.29102	24.4
643.28088	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36166	2.8
62.72561	3.2
119.26968	3.3
264.42883	4.0
316.44824	3.8
371.46790	3.5
639.73236	3.9
643.39954	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	644.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21127	0.8
61.98827	2.2
76.06815	1.2
85.37631	1.0
92.19455	2.0
119.85606	0.8
121.02924	4.8
122.03256	1.4
133.02933	1.6
170.30859	1.0
178.96765	0.9
193.31799	1.1
240.17261	0.9
374.04282	3.7
375.05225	2.0
388.05768	1.7
389.06638	23.4
413.06573	1.9
415.28027	1.2
430.06964	2.0
431.07297	1.4
506.06372	1.5
534.05786	10.3
535.06738	14.3
549.08264	20.3
566.08453	2.2
581.10968	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	644.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52036	0.7
59.01385	1.7
60.94960	0.8
61.98837	100.0
73.50867	0.9
104.80666	0.9
119.27279	1.0
165.01932	4.0
194.27948	1.1
351.59503	1.1
404.66110	1.0
540.38226	1.1
546.54694	1.0
632.93811	1.1
644.27991	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	645.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
61.07846	1.9
61.09784	2.0
64.72268	2.4
67.04912	2.0
67.23999	1.9
69.07796	2.0
72.53719	2.2
74.50246	1.9
88.57928	2.2
110.88580	2.6
127.87778	2.3
132.68034	2.2
137.65103	2.5
151.00327	4.7
178.99843	5.0
255.02983	3.2
271.02441	11.7
300.02756	100.0
301.03604	31.6
588.72809	2.4
609.14716	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02557	1.6
59.56182	1.7
60.60088	1.5
62.47397	1.5
80.45345	1.5
80.87514	1.5
86.88079	1.5
87.50140	1.7
91.78123	1.8
104.55188	1.7
109.02961	13.9
116.28854	1.8
119.11323	1.8
121.02938	2.3
123.04503	4.1
125.02447	14.7
131.47646	2.0
137.02435	25.9
149.02423	3.6
151.03958	3.6
161.02457	26.0
161.06107	3.2
163.00334	4.2
165.01939	18.0
175.04034	2.1
176.01218	2.0
177.02083	1.8
179.03467	4.3
187.04085	2.8
188.04819	2.1
190.61583	1.7
192.00662	1.9
193.01433	100.0
203.07205	11.9
205.01431	12.2
205.05043	10.8
220.94626	1.9
221.07976	2.0
232.00079	2.9
233.00830	3.7
241.05173	2.1
243.02927	9.5
245.00917	3.9
245.08232	16.0
253.05077	1.8
255.06537	1.8
289.07233	33.8
297.04095	1.6
299.05508	3.0
309.04111	2.7
337.03595	14.7
341.03143	13.4
355.04553	21.2
447.07486	2.0
451.10345	9.1
455.97290	2.0
475.06647	4.0
493.07971	39.2
615.20190	2.1
645.01740	2.5
645.12524	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24471	0.8
57.14888	0.6
59.01375	1.6
75.09486	0.7
88.98804	1.0
107.01380	1.3
121.02937	1.6
125.02432	0.8
138.62962	0.7
151.00359	14.1
163.00354	1.4
178.99864	13.3
190.99902	0.8
191.05659	0.9
210.21065	0.7
243.02934	1.2
245.04558	0.9
255.02977	13.9
271.02478	24.9
272.03293	1.5
273.03970	3.2
283.02579	2.8
300.02771	100.0
301.03543	47.4
392.16916	0.8
551.49896	0.7
626.67896	0.9
645.18390	65.1
645.35327	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	645.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56139	0.4
52.00732	0.5
55.26982	0.5
59.68631	0.4
63.81403	0.4
80.00784	0.5
85.02960	0.5
97.20688	0.5
100.26162	0.5
108.02174	13.5
116.60649	0.5
123.04521	20.9
142.92184	0.6
152.01163	20.1
167.03499	100.0
260.11450	0.5
269.41049	0.5
271.13391	0.5
329.04895	1.1
329.08795	27.6
348.66165	0.6
582.62744	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	645.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.6
85.02944	0.5
93.03454	33.1
101.02436	0.8
105.61616	0.4
108.02209	0.5
119.04999	0.7
122.03744	1.9
123.04502	0.9
134.03746	2.5
135.03477	0.6
135.04527	29.3
137.02446	100.0
139.94797	0.4
147.04521	2.1
151.52585	0.4
152.01143	1.5
153.01981	2.6
153.05588	0.5
161.04471	0.5
165.05542	6.7
177.01926	0.5
197.04475	0.6
243.86504	0.5
275.83496	0.4
297.09821	10.5
299.07700	15.0
309.09555	0.5
315.07260	2.9
327.10861	2.9
329.08783	1.5
500.67780	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	645.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
71.01382	4.5
71.37885	0.5
85.02945	0.8
87.91750	0.6
89.02447	9.5
91.75698	0.5
93.03457	34.9
100.32804	0.6
101.02431	2.9
113.02443	2.9
118.39653	0.6
119.03500	2.6
119.04995	4.8
120.97889	0.5
123.04490	0.7
135.04507	1.3
137.02448	100.0
147.04524	10.0
161.04518	1.0
165.05489	2.3
179.05592	9.0
260.27008	0.6
296.20688	0.5
297.09808	0.6
299.07794	9.3
327.10919	8.0
345.11789	2.1
354.16666	0.5
407.49850	0.5
622.08850	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	645.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57904	63.3
59.03625	64.2
60.44113	65.5
61.76250	73.6
70.53332	70.8
77.31371	77.9
86.00424	72.0
86.93269	83.7
100.22166	74.2
124.36040	95.4
155.78654	95.4
156.83023	80.1
161.26881	89.7
350.88904	85.3
540.97668	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	645.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.9
62.92851	3.6
66.88883	4.2
92.20103	6.5
121.02956	100.0
151.05630	4.5
356.40240	4.2
439.94052	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	645.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85116	1.4
56.31342	1.2
62.79905	1.3
67.30955	1.2
72.48550	1.5
94.37142	1.4
106.62170	1.4
112.28332	1.6
112.63184	1.7
227.84319	1.5
277.12561	1.5
280.11032	9.9
308.10550	7.2
323.12909	100.0
539.13165	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	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90880	0.9
59.01385	97.8
59.11461	1.1
60.67019	1.0
73.28868	1.0
121.02950	100.0
184.61259	1.0
229.12347	4.1
247.13342	2.1
343.15610	8.1
351.15842	1.2
421.18655	2.3
543.22266	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	645.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	36.2
59.46175	1.4
85.02964	1.9
121.02956	100.0
135.04521	2.1
138.03279	2.0
142.21123	1.8
151.04034	2.1
165.01993	2.5
179.03534	2.6
525.21503	6.7
585.23517	5.9
609.30670	8.9
645.27258	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	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41521	1.1
53.42252	1.3
55.72435	1.2
59.01389	23.8
60.90210	1.5
63.69664	1.4
76.22368	1.4
93.03355	2.2
121.02945	100.0
137.02435	6.1
165.02002	1.7
177.98241	1.6
188.31157	1.7
200.03770	1.5
302.48822	1.6
325.78430	1.7
373.16449	1.7
433.18784	7.3
585.23785	1.9
645.34491	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	645.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11722	1.0
59.01390	9.3
61.98833	4.3
71.01373	1.9
73.18396	1.1
73.31434	1.0
82.36327	1.1
83.05019	2.6
85.02888	1.2
101.02427	2.5
103.77167	1.2
110.89317	1.3
113.02459	1.3
114.34306	1.3
116.36826	1.1
121.02923	7.7
127.03982	2.7
131.70844	1.4
139.07600	6.4
142.03407	1.1
167.33524	1.1
169.12241	1.5
199.42526	1.1
204.58368	1.3
220.38341	1.2
231.28284	1.2
279.13135	1.4
339.35999	1.6
403.11200	1.4
409.42535	1.3
601.39752	2.8
645.34015	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	645.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30741	1.9
53.98287	2.0
77.52998	2.2
83.44265	2.3
86.55268	2.4
91.10651	2.2
103.16555	2.0
109.64059	2.2
110.98788	2.2
165.31328	2.2
185.76007	2.4
215.10710	3.9
297.14908	2.6
315.15903	4.3
316.16312	9.1
317.16962	4.2
328.16748	11.9
329.17609	100.0
367.22638	4.6
368.16138	12.4
383.22272	94.7
411.21664	3.1
481.86121	2.9
645.34485	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88520	19.1
59.01383	22.4
61.98821	100.0
63.85483	22.8
65.91765	19.5
69.60688	20.8
76.23759	26.3
83.03915	19.9
86.69993	22.6
91.56797	25.0
94.65953	26.0
101.02438	47.1
125.02419	27.3
127.18229	29.5
137.05069	22.9
143.76390	25.3
156.18971	25.0
188.27472	21.7
255.81601	25.2
278.21039	26.5
512.81506	25.2
646.30518	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	646.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40903	32.4
57.60734	36.0
61.98838	77.2
91.75238	44.1
92.20126	41.4
96.74235	36.5
106.15873	46.9
114.81321	53.7
118.40608	43.7
121.02960	100.0
169.64989	45.1
233.19572	48.0
277.42111	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	647.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46073	2.9
59.49132	3.1
61.38299	3.5
67.87189	3.8
72.04416	3.1
72.99287	3.7
77.90759	3.0
78.95918	5.2
80.62981	3.7
111.01980	5.1
113.56194	3.4
198.90532	37.3
216.91533	9.0
217.00299	5.0
218.86769	3.5
223.90065	16.6
240.91614	32.7
248.93753	4.1
256.89185	5.1
270.92465	5.1
291.92773	4.9
292.92252	80.8
309.93918	8.7
351.94751	4.4
363.94818	19.1
381.95761	27.8
399.96649	6.8
400.91830	4.0
424.96436	14.9
442.97589	69.6
502.28455	3.7
587.01740	100.0
674.14319	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	647.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00838	1.0
52.01627	1.1
57.92406	1.1
63.83127	1.2
73.29066	1.3
139.04044	2.6
187.03944	1.6
213.01967	1.7
215.03535	2.1
218.02187	1.4
231.02985	7.3
241.01349	1.7
243.02884	2.5
245.00920	2.0
246.01544	1.5
258.01657	2.7
259.02448	16.0
269.00858	2.1
271.02484	2.9
273.00476	13.9
274.01208	100.0
275.01956	16.3
285.00443	36.1
287.02002	42.1
289.03592	8.1
299.01981	20.4
311.01999	5.9
315.01382	4.9
317.03122	2.5
469.07806	60.3
507.05759	8.6
518.16425	1.5
615.07965	2.4
647.10510	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85059	3.0
69.47426	3.5
76.96661	3.6
78.84315	2.9
101.88219	3.4
123.00918	7.9
124.01588	3.9
125.02429	100.0
126.54713	3.5
133.02956	8.2
137.02390	3.9
151.00395	13.4
153.01924	15.5
154.02710	8.1
163.00356	7.2
165.01917	71.8
166.02769	4.7
167.03462	16.1
169.01419	45.1
178.99843	17.1
188.59126	3.4
193.01488	7.9
206.99345	72.9
221.00893	23.9
222.01688	4.8
233.18121	4.0
256.03720	4.1
257.00861	16.3
267.03079	5.0
269.04523	8.0
271.02390	6.0
272.03201	22.8
273.03976	17.3
281.04462	7.4
283.99692	15.4
285.00455	16.0
285.03912	6.7
286.01428	4.5
287.05585	5.5
298.01328	5.7
299.01965	56.9
300.02737	14.1
301.03497	24.2
310.98349	4.7
311.99136	17.7
313.00024	26.6
314.00632	3.8
326.00940	4.3
327.01419	17.5
328.02191	18.0
329.03113	7.1
341.03143	6.4
347.04102	15.8
354.81464	4.3
389.05225	8.2
390.03836	4.9
405.05991	7.7
431.00098	5.8
433.05588	17.3
447.07382	5.0
465.04419	4.4
481.03940	23.4
512.06177	4.5
615.08038	36.7
629.09033	5.1
647.10577	95.7
647.20648	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	647.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92934	0.4
54.18901	0.4
63.89833	0.5
73.14379	0.6
91.01904	1.2
107.88444	0.5
108.02138	2.2
111.04542	0.6
123.04518	19.7
125.02461	2.2
130.70432	0.5
137.02431	0.9
142.65562	0.6
152.01128	1.2
155.03505	2.8
165.02055	0.6
167.03499	100.0
173.04541	2.8
173.40460	0.5
187.39738	0.6
221.77478	0.6
305.06735	4.2
341.08810	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99812	0.6
60.99301	1.3
67.01902	1.0
71.01388	1.3
87.00869	4.3
93.03454	19.5
111.04515	4.6
123.04500	1.6
125.02452	5.0
127.66681	0.7
137.02422	1.5
139.04001	0.9
155.19530	0.6
165.01886	1.1
167.03493	13.3
173.04536	25.0
177.02036	0.7
179.03468	0.9
191.05626	100.0
219.06628	1.0
221.04591	0.9
305.06613	6.0
341.08789	69.9
479.17822	1.0
647.19781	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	647.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06863	1.0
56.72811	1.0
57.57389	1.0
62.69439	1.0
70.22199	1.0
75.30130	1.2
81.32340	1.1
83.02032	1.2
87.00332	1.8
87.00874	52.9
87.56133	1.1
89.51144	1.1
102.89705	1.2
125.02464	1.4
130.99852	1.4
137.02451	2.3
139.04012	59.8
165.05565	12.3
181.05075	9.8
191.03488	7.0
209.04619	11.3
211.02443	9.1
235.02522	19.6
271.04611	100.0
441.29077	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	647.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
68.79848	2.9
75.96386	2.7
95.09834	3.0
97.02957	4.8
109.02953	16.4
123.04509	18.6
125.02430	20.7
126.29472	3.4
137.02443	6.3
139.04005	3.2
149.02423	15.8
150.03146	3.0
150.14850	3.2
151.03996	6.8
161.02464	19.6
161.06070	5.0
163.04048	12.4
164.01077	3.3
165.01923	4.4
175.04008	4.6
179.03445	5.3
181.05098	16.5
202.06349	3.1
203.07117	16.3
205.05078	29.4
213.05655	3.3
245.08264	23.7
247.06027	5.0
270.05249	4.9
285.07629	16.9
287.09326	10.3
289.07205	47.0
291.41141	3.2
297.07687	3.5
299.08975	3.4
320.91534	2.8
325.07050	5.3
340.14197	2.9
437.12286	14.3
449.12119	25.2
467.13544	46.6
581.30414	3.4
647.19897	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	647.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59093	4.4
59.01393	6.4
59.99513	5.1
70.61879	4.5
71.01370	5.2
73.25402	4.9
83.01395	11.3
97.02951	5.9
109.02917	35.9
123.04517	30.0
125.02460	32.3
137.02446	11.5
138.43388	5.1
145.02963	10.4
149.02466	23.8
149.06024	9.8
151.04012	11.7
161.02448	23.5
163.03999	8.6
163.07625	6.6
165.01949	8.0
175.03966	9.0
177.05527	6.3
179.03394	5.3
181.08644	8.0
203.07152	10.5
205.05046	44.2
215.07098	4.7
245.08171	20.1
247.06068	9.8
250.23305	5.1
257.14975	4.9
270.05264	8.0
273.07599	5.9
285.07550	35.2
287.09338	17.7
289.07245	40.6
297.07513	6.1
325.07172	10.3
343.13971	18.7
437.12384	27.5
449.12509	80.2
453.97144	5.7
467.13449	100.0
495.14633	6.4
647.20172	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10884	8.5
61.01251	8.9
64.66107	9.0
66.26840	12.1
70.07536	9.1
70.22485	8.3
71.53246	8.2
73.14485	8.5
80.20641	8.4
80.40821	8.3
82.59693	8.6
83.01364	12.8
89.52677	8.8
91.82341	10.0
109.02949	40.3
123.04546	17.7
125.02423	18.7
149.02467	42.5
151.04008	18.0
161.02412	23.6
161.05986	11.5
163.03937	17.5
167.71562	10.3
185.12717	11.4
195.05614	11.8
205.04987	39.8
245.08052	15.8
247.06099	17.4
257.44592	10.4
285.07672	22.8
287.09241	11.2
289.07129	24.1
325.07007	9.8
437.12302	39.6
449.12601	49.4
467.13394	100.0
495.15082	18.0
647.19916	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54437	1.3
59.01382	2.8
65.91756	1.2
73.09629	1.4
76.70639	1.4
83.01365	6.6
84.95435	1.5
95.05017	2.7
97.02931	7.2
108.02162	1.9
109.02953	20.0
109.84380	1.5
113.06078	1.6
121.02906	1.8
123.04554	16.6
125.02425	12.5
135.04492	2.7
137.02440	8.0
139.04021	2.7
145.22820	1.5
149.02440	13.6
149.06071	2.7
151.04021	12.1
161.02444	15.4
161.06056	9.8
162.03206	2.8
163.00311	1.7
163.03972	7.3
163.07625	2.8
165.01909	6.6
175.03995	6.5
177.01927	3.5
177.05630	2.3
179.03535	8.5
181.05095	21.5
186.06924	1.7
187.04024	5.9
187.07643	1.7
188.04703	2.5
202.06384	1.7
203.03558	1.7
203.07152	16.2
205.05098	21.8
207.64326	1.7
220.03786	8.1
221.08128	2.2
229.05113	1.7
229.08714	2.3
231.03046	1.9
243.10100	1.7
245.08208	23.7
247.06050	6.3
270.05405	5.5
285.07715	13.9
287.09164	9.8
289.07193	40.8
297.07632	3.3
324.06387	2.9
325.07135	7.4
325.98239	1.6
326.07916	6.6
327.08575	2.5
339.08694	1.8
343.08246	3.0
437.12399	12.0
449.12381	20.4
467.13480	37.2
523.14471	1.8
647.19885	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	647.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15206	3.6
70.65879	4.4
74.15530	4.2
79.45850	4.6
83.01386	4.6
86.79478	3.8
94.43888	5.9
108.02187	4.3
109.02274	4.2
109.02957	27.0
123.04534	20.3
125.02452	25.1
137.02441	6.0
139.03902	4.4
149.02460	10.5
151.04013	17.4
152.92096	4.0
153.01811	4.1
161.02434	30.6
161.06056	8.7
162.03302	4.0
163.04042	20.2
165.01918	9.5
175.04047	4.3
177.05553	4.7
187.03967	6.9
187.07658	8.5
189.01953	4.4
189.05539	5.8
203.03503	6.0
203.07117	10.5
205.05046	36.7
228.07806	4.7
231.06686	5.2
245.08276	5.7
247.06056	9.2
282.05356	4.7
285.07626	20.0
287.09229	16.3
289.07181	26.0
297.07632	5.3
307.75800	5.2
313.07410	5.7
437.12360	27.4
449.12521	40.2
467.13538	100.0
521.68140	5.0
647.20020	61.8
650.13928	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	647.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46416	0.8
54.48313	0.8
59.01371	2.2
65.42599	1.0
70.60597	1.0
71.01355	1.3
81.68127	0.9
83.01383	2.5
95.05025	1.2
96.75568	1.0
97.02922	7.3
108.02190	1.6
109.02936	22.6
111.00891	0.9
113.02398	1.2
121.02918	5.5
122.03699	2.5
123.04506	17.1
125.02437	21.0
135.04503	4.0
137.02452	21.4
138.03203	1.9
139.03984	6.9
146.03659	1.6
149.02455	9.9
151.03989	13.1
152.07129	5.0
159.04456	1.6
160.05197	1.5
161.02446	2.0
161.06084	9.5
162.03214	2.5
163.04044	2.0
164.01102	4.4
164.04750	1.1
165.01900	14.6
167.03455	3.9
175.03932	4.2
175.07605	1.1
177.05498	1.7
179.03487	13.5
187.04008	9.3
188.04778	6.8
191.03455	1.6
199.07512	1.2
201.05508	1.5
202.06354	4.6
203.07167	32.4
205.05066	24.7
215.07088	2.0
217.08621	2.0
221.08153	6.6
227.07040	4.6
231.02861	1.1
245.08168	41.3
247.06064	5.4
258.26675	1.0
259.05908	4.1
271.06052	2.0
273.07654	1.5
289.07196	76.7
301.07199	1.7
493.14871	1.4
523.16168	10.1
622.95868	1.2
647.21381	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	647.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	1.4
83.01404	2.2
83.07945	1.3
92.19490	2.6
95.05032	2.3
97.02925	10.2
106.25191	1.3
108.02148	1.5
109.02953	24.9
120.14809	1.4
121.02953	2.2
122.03720	2.5
123.04537	16.8
125.02441	26.3
135.04568	2.5
137.02444	21.9
139.03998	5.2
141.97441	1.4
149.02432	10.2
150.03088	1.5
151.03987	17.9
159.04480	2.4
161.02412	2.3
161.06084	11.8
162.03246	3.1
164.01151	5.5
165.01958	18.3
167.03453	2.8
179.03473	16.1
187.04010	12.1
188.04755	8.0
202.06363	2.8
203.07129	31.2
205.05075	29.9
221.08133	5.7
222.57758	1.7
227.07047	3.3
231.02968	2.3
241.96100	1.4
245.08186	35.3
247.06110	7.2
289.07196	78.6
295.09885	1.4
523.16290	11.0
647.21405	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	647.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46059	2.1
55.92665	2.0
68.43614	2.1
70.10629	2.4
75.32665	2.9
83.01402	4.5
93.32145	2.3
97.02937	11.8
98.93399	2.8
102.82269	2.4
104.47762	2.5
109.02946	30.1
121.02921	5.0
122.03765	4.6
123.04509	22.5
125.02425	35.3
135.04488	3.4
137.02420	28.3
139.04008	4.8
149.02444	16.3
151.04030	16.8
159.04474	3.2
161.02399	4.1
161.06053	15.1
163.03947	3.9
164.01183	11.8
165.01944	21.5
165.51889	2.2
167.03481	3.8
175.04051	2.3
179.03488	16.1
185.06021	2.4
187.04037	12.0
188.04823	5.1
203.07138	35.8
205.05023	38.3
215.07051	2.3
221.08192	4.1
226.18571	2.7
227.07059	3.6
245.08160	39.3
247.06172	4.4
289.07199	100.0
449.12396	4.4
458.59824	2.6
467.13483	5.3
523.16034	12.2
647.21454	98.5
647.29651	3.5
674.74646	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	647.2294
Annotation	Mulberrofuran U
Peak:m/z	Relative Intensity
54.03024	0.8
58.22797	0.9
82.30274	1.1
139.76482	1.0
158.56718	1.1
248.80818	1.2
265.12299	2.0
267.10233	6.0
281.11893	1.5
294.09000	29.0
309.11349	100.0
325.14441	5.3
337.10483	1.1
647.22906	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34042	1.4
59.01385	100.0
59.96185	1.3
63.98110	1.4
69.95027	1.5
80.76214	1.4
87.20421	1.5
121.02951	74.9
180.09059	1.7
200.09143	1.6
222.61249	1.5
373.24585	1.7
380.49567	1.7
393.05161	1.6
587.25842	2.1
634.22974	1.7
647.25879	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	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28006	1.6
52.82462	1.7
56.66737	1.5
59.01385	100.0
61.21898	1.5
61.98839	3.4
74.08035	2.0
75.00872	2.0
85.02951	1.6
86.45953	2.2
116.92821	2.2
121.02932	29.8
123.04429	2.0
125.02438	1.8
166.26907	1.7
219.72690	1.7
322.98071	2.0
391.26303	1.9
467.20810	2.6
527.22534	4.2
586.77051	2.0
587.24988	12.0
597.13501	1.9
626.91321	2.1
647.26721	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	647.2718
Annotation	Tasumatrol E
Peak:m/z	Relative Intensity
50.06512	1.6
59.01387	100.0
63.68458	1.5
68.55074	1.4
112.13401	1.6
121.02953	54.4
138.28014	1.8
140.52792	1.8
277.41666	2.0
545.23602	7.9
587.24243	6.4
622.83673	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	647.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11928	1.6
58.37182	1.5
59.01385	56.6
61.60044	1.7
73.94099	1.7
118.80643	1.8
121.02950	100.0
161.06433	1.9
257.62238	2.0
269.11591	2.4
291.34329	2.0
403.53543	1.7
487.19937	2.0
492.95886	1.8
515.49628	2.0
617.62762	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	647.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17409	0.8
59.01386	19.8
63.63475	0.8
71.49856	1.1
103.04002	9.0
121.02951	100.0
125.02383	1.0
131.58397	0.9
137.02498	0.9
142.78505	0.9
165.01918	1.8
181.08752	1.0
181.11723	0.9
181.66360	1.0
224.25240	0.9
248.53055	0.9
259.71646	1.0
279.07254	1.1
294.10187	0.9
320.64404	1.0
365.01050	1.2
423.20224	2.0
527.23114	1.9
545.23627	2.0
647.27228	7.8
652.99347	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	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83420	1.7
57.46146	2.1
59.01387	58.2
66.28351	2.0
67.38232	2.0
81.89455	1.9
86.41406	2.0
121.02956	100.0
140.89639	2.4
142.91481	2.1
150.09056	2.1
189.53041	2.1
192.61572	2.3
196.44662	2.4
434.20404	2.3
620.34222	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	647.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63770	0.6
58.71888	0.6
59.01387	1.7
60.85501	0.6
80.08180	0.6
83.01408	0.7
121.02953	100.0
124.36155	0.7
137.42487	0.9
141.03972	0.6
214.06009	0.7
265.98904	0.7
281.07358	0.7
357.13351	1.5
587.25073	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	647.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33439	0.5
59.01386	1.4
61.98836	100.0
65.45785	0.5
66.40340	0.5
66.78776	0.6
68.02623	0.5
85.35661	0.6
101.02441	0.8
121.02940	2.1
122.06105	1.2
124.01665	0.6
125.02457	0.8
137.02467	0.7
167.03416	0.6
181.08795	0.8
182.65193	0.5
227.11858	0.8
229.13313	1.0
253.09846	1.0
255.11414	0.8
294.10071	0.8
315.09866	1.0
538.59015	0.6
587.47455	0.7
614.25513	0.7
617.20575	0.8
647.27295	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	647.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44637	0.7
73.97228	0.8
82.97845	1.0
122.06068	1.3
125.02425	1.6
137.09714	6.3
151.00381	1.1
152.44887	0.8
155.10786	100.0
199.09776	66.2
281.09467	1.0
285.03961	3.8
295.10776	3.5
470.15778	0.9
615.25183	3.5
647.27509	3.8
677.43793	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	647.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98835	0.7
63.34496	0.5
69.34703	0.5
96.96025	1.4
119.03683	0.6
121.02926	2.4
182.36429	0.6
192.41751	0.6
234.24553	0.6
267.19611	1.2
285.20731	100.0
290.57022	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	648.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47236	0.3
51.82690	0.3
59.01377	0.7
67.01885	0.7
71.01385	1.4
83.05006	0.4
89.27424	0.3
93.03447	9.4
105.86546	0.4
108.02158	0.5
111.04533	3.8
115.00363	0.7
123.04511	4.5
125.02435	0.6
128.03551	1.3
137.02431	4.3
138.05557	0.6
143.04630	1.9
148.07672	0.5
155.03494	4.6
167.03491	18.9
173.04543	100.0
174.04942	1.4
175.02472	2.4
191.05576	2.8
197.29034	0.4
232.98305	0.4
241.37485	0.4
272.08774	1.5
305.06033	0.5
341.08786	50.2
342.09177	1.6
375.11078	1.6
406.75510	0.4
648.20508	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	648.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89030	0.6
59.01385	44.0
60.01705	1.8
61.01799	0.9
61.43218	0.6
61.98837	100.0
81.45280	0.8
98.24480	0.7
109.87632	0.8
116.08536	0.7
121.02962	24.0
122.03261	5.6
223.94429	0.8
247.43083	0.9
265.89774	0.7
345.24411	0.9
349.35434	0.9
377.52930	0.8
410.38052	0.9
442.61630	0.9
504.21042	0.9
507.46341	1.0
507.53479	0.9
546.23895	1.7
588.25714	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	649.121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47204	1.2
81.03481	1.2
96.13617	1.1
109.02946	17.3
111.04510	18.4
113.67444	1.3
121.02942	1.8
123.00874	1.3
124.01620	1.7
125.02441	9.6
137.02417	10.4
139.04018	84.4
149.02391	1.9
151.03963	3.0
161.02466	6.1
164.01137	11.3
165.01967	1.2
167.03513	6.1
177.01927	44.1
178.02693	2.9
179.03494	57.8
181.05093	2.0
193.01392	2.8
193.05106	1.8
195.06581	2.0
204.00665	6.5
219.03027	5.7
289.07144	1.7
302.50330	1.6
317.79941	1.4
319.08295	10.7
357.06259	10.5
451.13849	1.5
467.13611	2.5
497.10913	100.0
513.10852	2.3
523.08752	2.0
563.84265	1.6
649.22137	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	649.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15034	2.1
71.01366	20.0
103.33772	2.3
114.94688	2.6
115.00365	10.4
120.22282	2.3
134.03712	23.7
137.38893	2.6
149.02449	5.2
149.06104	12.1
164.04749	35.5
178.02704	4.1
179.07104	5.1
193.05058	100.0
208.03853	5.0
220.95010	3.1
223.06113	74.1
223.33916	2.5
295.64804	2.8
309.06204	3.8
333.74350	2.5
339.07025	4.4
364.82281	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	649.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99799	1.0
65.63284	1.1
69.96011	1.0
70.24615	1.3
71.01384	12.7
115.00328	7.4
117.03461	2.3
117.66870	1.3
121.02980	2.1
134.03737	34.5
149.06087	9.6
178.02661	4.3
193.05072	100.0
309.06226	8.8
343.03641	1.2
506.41049	1.3
619.24213	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	649.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	8.8
72.24616	1.2
79.86360	1.7
81.11982	1.2
88.98805	100.0
89.02467	2.8
92.20100	3.5
121.02976	2.2
125.02425	6.0
137.02489	2.6
139.03986	1.8
151.03999	2.1
157.76190	1.2
165.01921	3.0
166.17964	1.3
177.01985	1.8
179.03519	1.8
232.91859	1.3
233.19164	1.4
249.28720	1.3
260.81662	1.3
497.10959	3.0
545.29834	1.5
649.11603	1.4
649.22302	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	649.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	33.7
63.22020	0.7
71.01384	16.8
73.00805	0.6
74.65134	0.6
84.85233	0.7
85.30748	0.7
89.01910	1.4
89.02441	32.3
91.01765	0.7
95.01339	0.8
101.02441	19.7
113.02436	8.8
119.03473	14.6
145.02956	5.7
161.04501	0.8
169.05005	0.8
323.13470	100.0
325.09305	3.5
561.10913	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	649.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87678	37.5
53.08926	35.6
77.02306	40.9
79.56855	41.0
86.03471	45.1
92.19430	53.2
114.33829	43.6
121.02967	100.0
126.11848	44.4
129.55713	38.7
147.71767	50.1
215.18877	43.6
221.40485	40.6
311.90640	42.2
323.24530	41.4
362.77771	42.4
374.28101	42.3
496.10764	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2457
Annotation	Sophoraflavanone J
Peak:m/z	Relative Intensity
56.94887	2.1
72.64179	2.6
82.58008	2.4
85.30391	2.2
134.25821	2.1
159.04482	10.5
175.04059	2.5
209.05978	2.3
215.07062	2.4
223.11308	19.0
249.09180	3.0
250.10010	5.0
253.05048	2.9
265.12256	15.7
268.07471	2.7
269.08200	12.0
279.10172	3.2
280.07852	3.0
280.10931	17.9
281.08170	13.6
281.69269	2.5
283.13458	20.8
294.08929	25.1
295.09753	30.1
296.10541	26.8
297.11017	3.1
307.13403	5.1
309.08017	6.6
309.11322	50.0
309.15060	13.9
310.12085	9.0
311.12848	27.7
322.12137	14.1
323.12885	23.0
324.09998	11.4
325.10675	3.0
327.15973	5.5
339.12341	31.7
346.16006	3.6
361.18216	3.0
407.18588	3.6
416.01901	2.3
456.05890	2.4
526.10718	2.5
598.61591	3.0
605.25549	2.4
631.26843	9.6
649.24573	100.0
662.68048	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	649.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55279	0.9
65.40710	1.0
67.50252	1.0
71.15521	1.0
76.74344	1.1
121.02951	100.0
166.65973	1.1
174.18074	1.1
200.25343	1.3
219.64952	1.2
302.22519	1.1
308.58621	1.2
500.72760	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	649.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71346	0.6
62.93440	0.6
82.03450	0.6
116.60562	0.6
121.02954	100.0
131.33156	0.7
138.03401	0.7
153.25191	0.8
248.38176	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	649.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13149	0.5
52.56736	0.4
59.01371	2.0
76.20141	0.5
111.88119	0.5
121.02946	100.0
127.80317	0.5
153.78879	0.5
307.01974	0.6
409.18292	0.5
600.05188	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	649.282
Annotation	Chondramide D
Peak:m/z	Relative Intensity
68.06395	0.6
72.26424	0.7
121.67113	0.7
135.66161	0.7
197.05325	0.8
266.74594	0.7
279.10300	2.7
280.10989	8.3
293.37604	0.7
294.08884	1.0
307.09735	1.6
308.10538	7.5
311.13025	1.3
322.12161	14.2
323.12909	100.0
325.14517	1.5
327.16028	4.4
329.17487	4.1
564.41479	1.4
649.25671	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	649.2819
Annotation	Chondramide D
Peak:m/z	Relative Intensity
51.31161	1.8
51.46571	2.2
76.19780	2.2
105.70866	2.3
115.38310	2.4
122.45583	2.4
131.94846	2.4
159.96823	2.4
182.43790	2.6
208.91586	2.4
222.30795	2.8
264.11499	14.7
279.10315	15.5
280.11081	4.4
285.48984	2.4
292.11060	4.4
301.34390	2.9
307.09708	15.1
307.13321	80.3
308.10641	3.7
309.11758	3.9
309.14969	100.0
322.12146	52.7
323.12939	71.5
327.16003	48.2
545.82178	2.7
554.15137	2.7
631.27094	75.1
649.26752	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50824	1.4
59.01342	1.6
87.78944	1.5
115.39579	1.5
121.02953	2.8
124.07668	3.1
136.07658	18.2
138.09232	8.1
164.10779	17.7
188.09619	2.0
199.12389	10.1
208.09750	12.4
213.06754	2.7
213.14000	2.9
214.07509	3.3
214.10941	1.8
215.08253	3.1
215.11790	1.6
224.96489	1.5
225.10295	10.9
229.09808	11.2
239.11865	13.7
240.09013	3.0
241.09822	23.1
242.10590	6.5
247.10747	3.8
254.10719	2.0
255.11435	10.7
259.70081	1.8
269.09229	9.9
269.12872	6.2
273.12411	2.4
275.14035	13.8
283.10837	2.0
299.10321	6.9
301.11938	100.0
308.17719	2.3
319.12994	37.5
336.20819	2.3
359.60104	1.9
362.18790	27.2
380.19824	6.3
406.17947	3.4
438.20270	13.8
456.21854	14.0
468.21756	2.1
486.22647	7.5
619.27795	76.9
649.28784	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50824	1.4
59.01342	1.6
87.78944	1.5
115.39579	1.5
121.02953	2.8
124.07668	3.1
136.07658	18.2
138.09232	8.1
164.10779	17.7
188.09619	2.0
199.12389	10.1
208.09750	12.4
213.06754	2.7
213.14000	2.9
214.07509	3.3
214.10941	1.8
215.08253	3.1
215.11790	1.6
224.96489	1.5
225.10295	10.9
229.09808	11.2
239.11865	13.7
240.09013	3.0
241.09822	23.1
242.10590	6.5
247.10747	3.8
254.10719	2.0
255.11435	10.7
259.70081	1.8
269.09229	9.9
269.12872	6.2
273.12411	2.4
275.14035	13.8
283.10837	2.0
299.10321	6.9
301.11938	100.0
308.17719	2.3
319.12994	37.5
336.20819	2.3
359.60104	1.9
362.18790	27.2
380.19824	6.3
406.17947	3.4
438.20270	13.8
456.21854	14.0
468.21756	2.1
486.22647	7.5
619.27795	76.9
649.28784	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56666	0.5
59.01384	54.9
71.01372	1.1
73.02946	0.6
75.53942	0.6
82.49796	0.6
85.02935	0.6
89.02436	0.9
91.84824	0.5
92.19385	0.6
95.82223	0.6
101.02418	0.8
113.74499	0.8
116.92837	0.6
118.04044	0.6
121.02948	8.8
122.03268	1.5
129.76131	0.6
185.11836	100.0
296.20877	0.6
347.75833	0.6
649.35327	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	650.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65005	0.9
59.01384	3.4
60.99308	0.7
61.98837	100.0
76.45763	0.7
88.98792	4.6
92.70223	0.7
92.82076	0.7
119.58651	0.8
121.02914	0.8
122.03335	0.7
181.16032	0.8
430.69321	0.8
649.56738	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	650.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48782	0.7
61.98836	100.0
72.39252	0.6
80.57829	0.6
92.20114	1.3
121.02927	4.5
122.03288	2.8
123.03378	0.7
144.56487	0.7
159.67316	0.6
163.35747	0.7
186.90057	0.6
189.48636	0.7
243.72070	0.7
255.51718	0.7
280.64508	0.6
315.09793	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	650.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54602	1.3
59.01386	5.7
61.01780	1.2
61.98836	100.0
75.72585	1.3
93.78990	1.3
96.96026	1.7
103.68237	1.2
116.18124	1.3
121.02910	2.7
195.33186	1.7
195.67140	1.8
199.41092	1.5
231.06927	1.5
301.11942	2.6
331.07162	1.4
387.42984	1.5
442.22955	2.0
620.28394	3.1
650.29382	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	650.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20077	1.0
59.01385	4.7
60.62614	0.9
61.98837	100.0
64.24063	0.9
75.34751	1.0
82.54974	0.9
86.09606	1.0
106.83582	0.9
109.02405	1.0
121.02940	5.0
122.03275	1.7
204.27695	1.2
333.99893	1.1
407.61682	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	650.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19334	0.8
51.63731	0.6
53.10908	0.7
57.75380	0.7
58.93243	0.8
59.01378	0.8
61.98838	100.0
62.07826	0.7
64.29137	0.7
90.69327	0.7
90.89584	0.7
126.18690	0.9
132.60968	0.8
162.36917	0.9
249.83755	0.9
250.10580	0.7
442.13892	0.9
459.07935	0.8
614.17322	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	650.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77865	1.2
53.51014	1.2
57.04157	1.3
59.11423	1.2
61.98836	100.0
66.58432	1.5
66.98555	1.3
148.93925	1.5
162.01778	1.5
172.63661	1.5
178.16682	1.5
262.99557	1.6
265.97559	1.5
298.94885	1.4
551.72144	1.5
650.29150	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	651.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59658	0.7
54.40883	0.7
55.65914	0.9
56.77230	0.7
59.09801	0.8
62.95085	0.8
71.01380	5.0
73.01579	0.7
74.77258	0.7
105.40838	0.7
115.00365	20.6
119.05026	21.3
121.02960	16.5
123.74710	0.7
133.01430	100.0
133.12383	0.9
135.04518	14.5
149.05959	0.9
161.02490	1.3
161.19664	1.0
163.04013	40.3
179.03488	32.6
188.71214	0.9
237.07539	0.9
295.04535	15.0
295.08170	5.9
325.09274	10.0
344.95755	0.9
355.10391	1.8
375.63083	0.8
532.25720	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	651.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
62.97710	0.8
68.48076	0.8
71.01371	0.9
89.02461	2.1
101.02455	1.2
103.22754	0.8
116.02124	0.8
117.03473	2.0
119.03559	1.1
119.05048	9.2
123.04585	1.0
125.02470	1.4
137.02509	1.2
139.04082	1.0
145.02962	100.0
161.04533	4.3
163.04019	11.4
177.01961	1.3
179.05658	7.3
215.25673	0.9
217.98882	0.9
275.46185	0.9
280.81332	0.8
323.13388	4.9
324.13873	3.8
325.09317	54.5
325.13666	3.3
373.96658	0.9
651.13324	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	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00110	0.9
60.15354	0.9
60.72654	0.9
79.53942	1.0
87.00883	1.4
94.88824	1.0
115.46071	1.1
115.51342	1.0
117.03447	2.3
119.05016	8.9
124.15644	1.5
129.86655	0.9
145.02954	100.0
161.04575	4.1
163.04027	13.2
179.05629	8.0
325.09302	57.9
366.64706	1.1
517.43433	1.1
526.47986	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	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21534	0.2
55.49738	0.2
62.85101	0.2
72.22067	0.2
85.03001	0.2
87.00874	0.5
87.56970	0.2
90.48092	0.2
90.64438	0.2
95.59142	0.2
117.03472	2.6
119.05016	8.0
125.02409	0.5
125.55350	0.2
132.78035	0.2
140.82187	0.2
145.02954	100.0
149.20457	0.2
161.04549	3.4
163.04012	12.1
178.89061	0.2
179.05614	6.3
194.06447	0.4
325.09299	56.9
433.86206	0.2
502.93570	0.2
603.21466	0.3
651.78046	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	651.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.1
60.07691	0.8
61.51705	1.0
68.34554	0.8
71.01384	1.4
73.33817	1.1
87.00863	2.2
89.02441	4.4
93.03447	4.7
101.02461	1.7
113.02473	1.2
117.01965	0.9
117.03433	1.6
119.05009	10.4
125.02435	1.8
132.03502	0.9
132.49252	0.9
145.02950	100.0
153.05559	1.6
161.04541	4.1
161.08153	16.8
163.04007	13.7
173.04515	7.8
179.05647	6.8
207.07603	0.9
209.67773	1.0
213.62486	0.9
301.79691	1.0
317.35449	1.1
323.13538	2.3
324.13733	4.5
325.09305	57.9
325.13278	2.3
335.13535	16.7
635.28845	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	651.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84192	0.9
55.49642	0.9
55.70722	0.9
59.01387	100.0
60.40728	0.9
89.73821	1.1
95.38112	1.2
116.57877	1.1
203.79411	1.2
231.43317	1.1
267.71545	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	651.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00555	0.4
59.01385	0.4
61.09605	0.3
61.98840	3.2
63.72972	0.4
79.19094	0.4
92.19460	0.4
101.52125	0.4
114.43051	0.4
126.32464	0.5
219.65709	0.5
279.14001	0.6
307.13409	5.8
325.14468	100.0
347.02686	0.5
383.64621	0.5
578.43829	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	651.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20279	0.8
54.27012	0.8
59.01380	1.4
63.29901	0.9
73.43533	0.9
76.13038	1.0
92.20112	2.2
108.45197	1.0
283.13217	1.2
325.14490	100.0
339.13385	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	651.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49532	2.2
75.31138	2.0
98.84661	2.3
209.79839	2.2
213.34367	2.1
279.10202	16.2
280.10995	9.6
307.09833	13.3
308.10629	4.2
322.08643	4.4
322.12143	70.8
323.12909	100.0
325.14554	4.7
329.17670	10.2
371.73370	2.3
589.54211	2.3
651.29572	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	651.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04119	1.7
57.03468	2.3
59.75545	1.8
62.16535	1.7
79.93327	1.8
82.77611	2.3
83.54227	2.1
92.10003	1.8
97.02946	3.0
99.04517	3.0
136.05312	11.8
139.07568	4.2
147.11757	2.5
151.07648	68.3
151.11273	8.7
167.07022	2.1
168.07957	25.8
169.08640	3.8
171.11801	3.9
184.08890	11.4
187.11305	3.3
189.12827	14.3
199.11374	15.6
202.09978	3.6
203.08257	2.0
205.12361	32.4
215.10869	3.0
217.12320	44.8
229.06253	9.8
235.13438	4.9
239.11906	3.8
244.09920	3.6
247.07140	4.7
279.12396	100.0
287.08084	2.6
362.18976	2.5
621.24921	3.1
633.26373	2.4
651.26703	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	651.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.23972	2.4
71.01370	4.5
74.91988	2.1
89.02441	8.0
97.73283	2.7
101.02428	2.4
104.11104	2.3
113.02428	2.9
116.92110	2.4
119.03515	4.3
121.93581	2.3
133.94939	2.2
136.95586	2.5
348.37802	3.1
578.93732	2.4
651.44830	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	651.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28316	0.6
55.79844	0.6
57.37524	0.6
78.14635	0.6
78.95908	1.0
87.28097	0.7
91.93699	0.7
102.87331	0.7
232.50140	0.7
299.20172	100.0
498.37833	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	652.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32162	8.4
57.89426	7.8
59.01379	36.3
61.98831	78.5
90.60307	7.9
98.20341	8.9
103.27801	8.3
107.35919	8.5
121.02957	100.0
122.03275	14.8
125.02394	10.8
125.78869	7.9
135.04523	36.1
144.59015	9.7
151.03999	10.3
316.86975	9.5
355.41983	10.4
428.12540	17.2
510.43903	9.8
555.18054	10.7
652.33185	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	653.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22997	2.1
63.03905	1.8
67.22835	2.0
109.02926	9.5
125.02418	4.6
135.60583	2.2
137.02446	32.7
138.64180	2.1
139.04036	3.5
151.04024	4.1
163.00427	3.6
163.45256	2.1
165.01910	58.9
179.03522	5.0
190.99898	3.6
193.01442	2.9
271.06122	4.1
273.07721	3.5
285.07874	2.6
316.02112	3.5
317.06406	3.1
320.79022	2.2
329.06625	12.8
331.04724	20.2
331.08066	3.0
419.07837	2.6
617.13068	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	653.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73867	3.2
59.51625	3.6
73.25900	4.3
73.48419	3.5
93.03435	6.8
109.02955	4.9
121.02959	18.8
123.04530	6.4
124.01640	20.7
125.02422	20.5
135.04529	5.7
137.02411	10.8
138.03236	8.9
139.04019	100.0
151.04028	69.3
153.05612	4.4
163.00363	38.6
164.01164	40.5
165.05559	8.0
167.07161	5.7
175.05118	5.1
177.01923	30.9
178.02663	36.3
179.03517	47.2
181.05032	8.4
191.03601	7.7
197.00934	4.8
202.06187	5.7
203.07143	4.0
207.10277	10.4
217.08711	8.5
218.05643	5.6
233.08168	38.1
235.09714	17.8
243.02980	9.0
244.03668	20.4
257.04575	8.0
259.06119	30.8
261.07791	10.7
267.06552	5.0
269.04578	6.9
270.05484	17.9
279.08755	18.8
285.07761	37.2
287.05640	10.4
345.06207	7.9
349.07111	4.8
351.08932	5.2
477.94888	4.6
486.18634	5.0
519.17059	7.7
529.11310	4.8
545.14130	8.1
547.16132	10.6
565.17285	41.3
573.13953	28.7
591.15381	9.0
609.16205	26.7
617.13483	16.1
635.13928	7.1
653.15814	25.0
653.27539	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
60.99300	1.6
61.78065	1.6
61.98829	2.8
72.78778	1.3
86.07556	1.4
88.98788	13.0
89.02420	1.9
90.31999	1.3
116.92815	2.7
151.03998	1.6
155.10750	2.5
181.27605	1.6
186.06947	1.5
199.09842	2.1
256.11084	1.8
273.04236	3.4
284.03384	2.2
285.03922	1.8
301.03503	6.0
315.05164	2.7
316.05978	3.6
329.03052	41.7
343.04617	67.5
344.05353	75.2
356.30286	1.8
358.06918	18.2
359.07758	100.0
375.27789	1.8
380.69489	1.6
653.17346	99.2
653.27985	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	653.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39643	1.2
54.81794	1.4
57.43691	1.6
60.99303	1.6
62.13379	1.4
86.58585	1.6
88.98824	11.8
90.80618	1.8
92.82760	1.5
101.19045	1.6
139.04083	1.8
165.01894	8.8
177.01935	2.1
200.38126	1.8
273.03925	2.3
285.04007	7.1
301.03629	10.4
315.01477	2.4
329.03055	100.0
330.03946	23.3
344.05392	73.8
345.06186	24.5
395.20325	1.6
537.46271	1.8
567.76117	2.3
653.17377	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1737
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
58.42007	2.3
65.22526	2.0
65.49811	2.4
68.01727	2.2
82.52766	2.1
91.22759	2.6
139.04065	8.1
151.04007	4.4
163.00386	3.2
179.03551	2.7
204.63042	2.2
239.39493	2.2
242.02397	2.7
247.27887	2.3
266.57114	2.3
273.04065	13.0
285.07678	3.9
301.03552	10.8
315.01526	27.5
329.03043	65.0
330.03870	46.6
344.05429	31.7
345.06155	62.0
653.17413	100.0
657.19336	2.9
663.60907	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	653.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38098	1.4
58.02974	6.7
59.01378	2.1
70.02987	6.8
73.75947	1.7
74.02473	42.0
98.02483	6.5
111.00888	2.1
116.03529	15.6
116.05025	3.4
129.67329	1.6
137.02373	1.6
139.13747	1.4
159.09358	1.6
175.02383	2.0
201.10315	7.3
203.08295	64.6
245.09300	100.0
289.08286	5.5
300.02740	2.5
312.02594	1.8
323.08490	1.5
463.08420	2.3
486.18976	1.7
653.30664	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	653.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09368	2.0
60.99303	9.0
61.98832	5.3
69.86794	2.3
88.98804	100.0
89.02445	10.1
116.39828	2.6
121.02918	2.3
125.02400	3.0
155.10742	2.2
162.97391	2.2
164.60638	2.3
164.98959	2.4
172.62106	2.7
236.66086	2.3
298.38962	2.6
306.65302	2.5
466.98447	2.5
476.10361	2.4
556.92352	2.8
653.27490	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	653.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70520	0.9
58.76108	0.9
59.01384	100.0
65.97863	0.9
69.70936	0.9
81.16006	0.9
98.16016	1.2
140.37248	1.2
156.31369	0.9
184.78432	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	653.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56028	0.5
52.17510	0.5
57.02869	0.4
59.01385	100.0
59.10389	0.4
60.01833	0.4
73.02934	0.7
89.69801	0.5
99.95941	0.6
101.02461	0.6
109.03056	0.6
117.05563	0.7
120.53094	0.5
135.04466	0.5
240.87979	0.5
247.02258	0.5
291.47913	0.5
292.15472	0.5
384.94049	0.6
454.23892	0.8
464.80118	0.5
476.40717	0.5
560.14368	0.6
653.40448	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	653.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81499	0.6
59.01386	100.0
63.92286	0.7
67.28849	0.7
80.59928	0.7
153.23245	0.8
267.10938	0.8
309.22980	0.7
422.21146	0.9
479.07291	0.8
665.83136	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	653.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91248	0.8
57.10021	0.9
57.78276	1.0
59.01387	100.0
76.59447	1.0
122.12630	1.0
130.96971	1.0
132.58543	1.1
206.57149	1.0
208.46657	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	653.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34979	0.9
59.01385	100.0
61.98864	1.1
92.20216	1.4
109.92963	1.1
165.01979	1.1
288.86374	1.0
328.33609	1.1
404.43478	1.1
593.30927	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	653.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68565	5.2
52.90064	4.7
58.00598	5.7
59.01384	100.0
69.12857	5.1
72.14385	5.3
78.76670	6.7
123.90148	6.2
136.25926	6.2
218.79091	5.9
267.04550	5.8
305.25671	5.5
354.00876	5.5
367.42078	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	653.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43526	1.1
59.01384	100.0
79.77149	1.3
83.18835	1.4
91.88312	1.4
92.19489	2.1
102.76663	1.6
107.63175	1.5
129.41324	1.5
171.94540	1.6
284.02734	1.4
300.41083	1.6
335.35571	1.6
413.98706	1.5
414.38937	1.4
540.51556	1.6
561.32751	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	653.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38484	1.7
52.65630	2.0
59.01387	5.2
67.26009	1.9
67.42165	1.8
74.42464	2.4
80.82974	1.8
82.02977	4.4
94.58292	2.0
94.89606	1.8
96.95975	3.4
101.02443	3.3
108.19631	2.0
111.00895	1.9
112.04092	3.6
116.21927	2.2
116.83479	2.1
121.06609	2.3
129.05560	11.9
148.04048	15.3
150.05603	31.0
151.04057	3.0
151.07614	9.7
152.08011	2.4
154.05087	4.5
161.04842	29.7
162.05623	4.6
171.40471	2.0
173.03477	3.9
174.04340	3.0
175.05127	96.6
176.05792	4.0
179.10721	2.6
189.12991	2.1
191.05588	2.4
191.08257	10.4
202.08798	9.3
203.08350	2.5
206.12495	2.4
214.10805	2.6
216.06529	3.6
217.06190	11.7
217.12175	3.6
218.12694	3.5
219.11316	2.2
232.08452	23.1
233.09311	100.0
243.11514	2.9
244.09908	52.5
245.06966	2.6
245.09302	13.0
263.10379	3.1
279.12299	13.3
280.12650	9.0
286.09628	3.1
287.10352	12.8
287.13583	2.4
305.11316	24.0
347.12552	24.5
370.17764	3.3
442.19760	9.1
468.17709	24.9
472.20950	43.9
486.18704	14.0
514.21997	2.9
605.26569	4.0
623.27161	10.4
635.27167	16.4
653.17773	3.4
653.28247	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26822	0.3
53.29285	0.3
56.87180	0.3
78.95908	100.0
83.08231	0.4
97.14197	0.4
104.23117	0.3
114.40659	0.3
149.00070	1.5
167.11311	0.4
179.01135	0.7
216.87939	0.3
257.17673	0.4
285.12567	8.3
355.16873	3.5
385.17896	3.2
417.12271	0.6
447.13333	13.1
653.30237	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16980	0.7
59.01380	3.4
59.93047	0.9
60.03113	0.7
71.81558	0.8
81.54925	1.0
119.02199	0.9
151.15846	0.9
153.77632	0.9
176.30922	1.0
184.47121	1.0
194.73326	1.0
198.97189	0.8
280.11093	15.2
308.10580	11.3
309.06369	0.9
323.12897	100.0
622.83905	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	653.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
66.43149	4.1
70.86482	3.5
73.02957	17.3
87.78020	3.8
88.92268	3.6
89.94546	4.7
98.22163	4.3
117.05592	44.8
119.27346	4.6
206.94011	3.9
315.53302	4.5
328.17715	4.0
416.28180	4.1
533.27203	4.7
551.28741	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	653.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
63.10602	8.9
68.47408	9.1
71.07451	8.7
77.60833	8.3
91.71650	9.5
103.70009	8.6
120.34146	9.0
132.76106	11.1
133.05090	19.0
152.67793	9.8
193.01433	9.1
242.41258	9.5
265.11942	9.3
620.03333	10.3
653.27716	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	653.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.4
71.01391	23.7
73.02957	3.4
83.01390	2.3
85.02948	2.6
87.00879	3.1
89.02435	22.1
97.02946	7.9
101.02444	25.3
113.02433	10.5
119.03503	6.4
125.02435	8.4
135.15123	1.6
161.04596	3.0
162.18033	1.5
173.11041	1.5
179.05646	2.0
213.06462	1.8
235.08145	8.2
255.23288	100.0
279.23370	1.7
287.07663	3.0
397.13553	96.9
397.18921	3.2
415.14566	24.4
653.37512	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	653.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81518	1.0
55.53296	0.9
59.01102	2.0
59.01386	38.2
65.57336	0.9
66.78519	0.9
70.11361	1.1
71.01381	20.4
73.02942	5.1
77.71775	1.0
83.01379	2.5
85.02946	4.2
87.00882	5.6
89.02442	28.0
89.13735	1.2
95.01379	1.4
97.02940	4.5
99.00862	1.4
101.02444	21.8
112.68221	0.9
113.02454	13.1
119.03502	4.0
125.02417	9.4
139.04018	1.1
161.04562	2.0
166.99159	1.1
179.05574	1.9
193.08817	1.0
197.96957	1.0
221.06610	1.1
235.08208	8.0
255.23308	100.0
287.07755	1.7
305.08685	2.2
313.18323	1.3
325.14407	2.0
329.17590	2.4
397.13538	95.4
415.14618	25.3
653.27930	1.9
653.38995	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	653.3914
Annotation	Cilistol i
Peak:m/z	Relative Intensity
50.01941	0.9
54.08002	1.0
59.01384	100.0
65.55362	1.1
68.71290	1.0
71.01377	11.1
73.02973	1.4
80.94846	1.0
84.14581	1.0
85.02940	1.5
89.02441	11.2
92.19292	1.1
101.02447	10.0
101.06082	18.6
113.02444	7.1
119.03490	2.2
121.02873	1.5
143.03516	1.3
150.06862	37.7
164.08415	7.8
179.05630	6.8
179.10765	28.9
223.13437	1.3
307.81085	1.2
311.22235	15.8
323.13174	2.0
359.38098	1.1
473.32773	4.0
476.31326	2.6
490.33099	7.5
491.33740	13.9
593.37158	18.4
653.39325	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35107	1.2
52.57113	1.9
52.72194	1.3
58.02985	12.8
59.01382	14.3
70.02968	6.7
75.95448	1.5
76.38118	1.7
76.54932	1.4
83.12326	1.4
89.42254	1.3
91.05527	6.9
92.19374	4.2
121.06479	1.5
127.49307	1.4
132.40688	1.4
147.04524	23.5
161.09802	1.8
163.07675	2.8
164.07169	89.4
197.11856	15.7
206.08228	100.0
241.10817	16.7
250.07268	2.0
345.55984	1.6
403.16046	26.3
534.31006	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	655.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43406	0.7
56.76493	0.7
60.99313	14.3
67.16143	0.8
75.40109	0.8
88.98803	100.0
95.62057	0.9
97.82230	0.7
108.30446	0.7
150.00992	0.8
175.92953	0.9
271.55371	0.7
298.34454	0.8
355.79727	0.8
446.72556	0.9
533.08746	3.0
565.11328	8.2
642.02838	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	655.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21426	0.9
59.10018	1.1
60.16262	1.1
62.54638	1.1
79.87621	1.0
85.49383	1.0
111.00851	2.1
151.00352	4.5
151.62935	1.1
178.99782	1.2
186.34964	1.2
191.02104	1.1
191.05649	8.5
255.03017	4.4
271.02570	8.1
284.16837	1.1
300.02756	100.0
301.00528	1.1
301.03543	37.9
463.08829	70.7
476.94669	1.3
515.25623	1.3
651.17786	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	655.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96686	0.4
59.01383	47.3
71.01379	28.6
72.99300	2.1
78.95921	2.1
83.01389	0.9
85.02957	3.3
87.00871	0.8
89.02440	44.0
92.54564	0.6
95.01375	0.9
96.95997	2.5
96.96954	3.4
101.02443	24.9
107.98664	0.6
113.02448	17.2
117.05554	1.0
119.03487	19.2
123.04509	1.0
131.03447	1.1
136.79460	0.6
143.03505	0.9
147.50488	0.6
149.04564	0.9
153.05557	1.1
159.50082	0.7
161.02344	0.5
161.04541	2.3
165.05505	1.0
179.05608	1.0
197.04524	0.7
208.09766	2.2
255.51187	0.7
279.10858	100.0
317.15982	0.5
369.94958	0.6
655.18378	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	655.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40368	1.0
59.01387	40.8
59.37843	1.3
60.79871	1.0
71.01392	22.2
77.33436	1.4
85.02963	1.7
89.02441	35.0
94.29572	1.2
100.76229	1.1
101.02447	25.5
113.02424	14.2
115.84618	1.2
119.02744	1.4
119.03510	15.9
125.02451	1.6
145.02930	2.1
153.05606	2.7
166.47618	1.3
192.73041	1.2
213.20699	1.3
250.01024	1.3
251.81839	1.3
259.10352	1.2
285.24701	1.3
323.13498	100.0
329.08676	1.5
332.01071	1.3
358.85858	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	655.262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41680	11.3
59.01386	100.0
63.97673	10.4
68.91111	11.2
90.84982	9.8
121.02953	11.2
137.07159	11.2
309.52728	11.4
441.88974	11.9
525.23950	13.4
567.24231	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	655.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26041	6.0
51.67666	6.1
59.01388	100.0
61.28603	7.1
61.98836	9.1
66.95983	7.4
74.85899	9.0
75.00900	11.1
75.51579	7.2
98.95218	7.0
100.35494	7.5
111.54649	6.7
120.01273	9.6
125.02450	9.3
148.45280	6.9
153.31979	7.5
153.73291	6.9
232.96535	7.8
288.49249	8.4
567.24701	14.9
655.30170	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	655.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16077	1.3
59.01387	100.0
59.01687	3.4
80.89392	1.3
89.16393	1.5
97.74998	1.4
134.44687	1.5
145.71950	1.4
153.05620	1.8
179.86795	1.4
197.49234	1.3
267.43457	1.4
373.58868	1.4
375.05038	2.6
483.31506	1.6
484.05148	1.7
524.65460	1.6
627.98596	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	655.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22783	2.4
57.19137	2.4
58.26247	2.3
59.01101	4.3
59.01387	100.0
59.01685	4.3
68.42490	3.0
83.84931	2.4
84.48723	2.5
121.40353	3.0
389.61505	3.0
572.67761	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	655.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.40111	0.6
68.41910	0.8
88.15570	0.7
93.80997	0.8
107.46194	0.7
108.13980	0.7
131.51727	0.9
181.84286	0.8
242.75763	0.9
247.88258	0.8
425.64264	0.8
436.10117	0.8
558.33020	0.8
655.23401	0.8
655.39032	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	655.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.74606	1.0
71.88174	1.1
72.11364	1.0
74.21481	1.0
80.08045	0.9
80.69959	0.9
82.71594	1.2
157.27467	1.0
289.07373	1.0
319.62305	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	655.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55262	1.8
55.55428	2.1
59.01382	100.0
71.01384	47.6
73.87363	2.2
82.87418	2.0
85.02943	4.2
89.02441	64.7
92.60859	2.6
98.20950	2.2
101.02431	28.1
111.28815	2.2
113.02428	25.2
119.03474	30.6
143.03473	5.2
161.04558	4.7
162.57198	2.3
165.01924	2.1
179.05609	35.9
313.18250	3.8
314.62054	2.7
319.43759	2.2
331.22632	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	655.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77802	0.9
53.20514	0.9
59.01386	6.1
60.44335	1.0
61.98843	1.1
68.67603	1.1
71.89980	1.2
92.20200	1.2
96.95992	7.1
96.96955	1.5
115.90026	1.2
205.24133	1.3
325.14474	100.0
327.15424	1.6
329.17529	9.2
350.64352	1.3
493.34964	4.7
524.84332	1.4
628.22833	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	655.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45623	0.4
56.99757	0.5
59.01389	4.1
70.72978	0.4
91.01882	0.9
118.83160	0.6
146.08211	6.6
180.94415	0.5
189.12799	0.5
196.68118	0.5
213.60349	0.5
217.11974	1.9
277.12277	16.8
281.58542	0.6
289.25204	0.9
291.23425	0.7
302.63882	0.6
313.18164	1.2
313.21655	0.8
315.23306	2.3
331.22928	1.0
333.24377	33.6
349.23715	0.6
351.25430	3.5
359.22214	8.1
377.23343	100.0
391.21869	0.5
395.24329	2.1
433.22275	1.1
446.39993	0.5
454.26047	0.7
525.30121	0.7
655.36536	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	655.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66398	0.7
59.01382	20.3
60.01722	0.8
61.01802	0.9
64.40152	0.6
71.01401	1.0
73.02953	0.9
75.25649	0.7
89.02426	0.8
95.99250	0.7
102.56316	0.7
103.07838	0.7
103.18063	0.6
111.04538	0.7
112.68921	0.7
113.02436	0.9
122.74303	0.7
136.05295	25.5
137.02435	1.2
149.06068	1.2
150.06853	3.6
165.09201	68.3
179.10910	0.9
185.11824	4.9
207.10233	1.6
211.13408	1.8
289.18164	1.1
291.19705	3.1
299.75397	0.7
307.19144	2.7
309.20667	3.0
327.21759	47.6
354.23605	0.7
401.23209	1.1
433.13000	1.3
437.79031	0.7
475.30676	14.5
492.30853	3.9
493.31671	37.1
505.25616	0.8
655.37146	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	655.3709
Annotation	Russelioside A
Peak:m/z	Relative Intensity
50.20751	0.7
51.84343	0.7
57.33374	0.7
59.01371	3.8
93.92365	0.8
94.38946	0.8
95.27946	0.8
98.94489	0.9
103.09148	0.8
115.65266	0.8
123.09176	0.8
125.09734	0.8
136.05295	24.4
149.06148	1.1
150.06865	1.5
165.09213	59.6
171.10274	5.2
218.19044	1.0
304.75034	0.9
319.19073	1.0
321.20749	1.3
327.21793	50.8
350.20947	2.2
449.05792	0.9
457.30359	1.2
475.30649	15.2
492.30881	4.4
493.31732	39.0
507.33002	1.1
655.37134	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	655.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83847	0.7
59.01381	13.7
67.75445	0.8
71.01373	4.6
73.02956	0.9
73.35515	1.0
76.78736	0.8
89.02445	7.1
97.06616	7.3
101.02433	4.2
113.02453	1.6
119.03519	1.4
123.08126	4.0
125.09718	92.8
135.46207	0.9
140.76180	0.9
141.01703	1.2
169.08630	1.4
187.09770	100.0
217.23090	0.9
249.18654	15.0
253.09262	3.8
256.23706	1.6
257.23853	1.0
293.18039	0.9
329.17499	5.2
358.10413	1.0
398.52597	0.9
399.14145	2.2
423.18802	6.2
487.36197	1.0
655.37073	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56294	1.6
55.76197	1.7
57.41231	2.1
59.01363	3.5
71.01365	2.2
75.00875	11.8
114.39568	2.5
136.76648	1.9
150.06857	83.6
163.07651	2.6
164.08440	9.0
179.10782	73.3
191.81981	1.9
313.23914	36.9
475.22610	2.2
475.34494	13.3
478.32938	3.3
492.34836	17.5
493.35318	40.0
557.54071	2.5
655.40820	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	656.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24812	4.8
61.52343	5.2
62.53751	5.0
92.20090	11.8
125.02447	100.0
128.36989	5.7
131.64029	5.6
137.02420	28.9
139.97343	5.6
175.04062	9.1
177.01939	92.5
205.05115	7.9
229.02005	6.3
245.08156	11.7
249.70213	6.0
281.04510	8.0
289.07040	48.3
339.08755	6.9
362.06943	6.8
407.07718	59.5
425.08801	79.6
524.65088	7.0
593.13074	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20148	8.7
108.20599	4.0
109.61159	4.6
112.27139	4.5
125.02458	100.0
137.02463	21.5
139.04041	9.9
161.02473	22.4
165.01913	22.0
167.03529	10.0
177.01923	8.8
179.03462	19.5
219.06685	10.5
221.04590	8.5
225.87578	4.5
243.02887	4.7
256.03751	4.5
283.02548	18.1
289.06882	5.9
297.04120	7.9
305.06586	35.7
423.07376	31.9
425.08432	5.3
441.08398	19.0
467.09479	8.0
593.13062	97.0
653.26434	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	656.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77059	0.9
51.90522	1.0
51.96556	0.9
53.04998	0.8
61.98836	8.8
63.35130	1.0
63.40046	0.9
70.41381	1.0
72.67725	0.9
100.95323	1.1
125.02460	1.0
144.36557	1.0
151.00299	1.3
163.00316	1.0
227.03508	4.2
228.91559	1.0
229.05092	2.0
255.03043	10.7
256.03763	3.8
257.04498	5.0
284.03290	83.5
285.04059	96.5
345.11420	1.1
593.15198	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	656.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30046	0.8
58.83389	0.9
59.01103	2.1
59.01384	46.8
60.01715	4.7
61.01801	5.8
61.98836	100.0
93.95258	1.0
117.73377	0.9
150.35388	1.1
165.09242	1.4
184.15633	0.9
217.21022	1.1
327.21957	1.0
562.59271	1.1
656.39404	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	656.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58043	1.7
59.01101	4.0
59.01389	100.0
61.98843	21.0
65.29121	1.8
67.34242	1.7
92.20038	2.9
110.03596	1.8
121.02941	2.5
157.37224	2.0
178.08754	23.7
218.76292	2.2
247.82753	2.4
251.33955	2.1
257.15454	8.7
380.23666	2.1
554.31506	22.3
673.15588	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	657.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30178	0.3
56.63045	0.4
59.01382	0.4
63.98155	0.4
85.02923	0.5
91.01909	1.4
93.03441	0.5
94.78658	0.4
108.02155	0.8
111.04501	0.9
123.04509	23.6
125.02409	0.7
127.07661	0.7
129.01958	0.6
129.60361	0.4
137.02414	0.6
152.01102	0.8
153.05573	7.1
155.03441	2.2
167.03487	100.0
167.07146	3.2
173.04527	1.9
179.03513	0.6
191.05681	0.6
211.06166	2.4
305.06830	0.7
315.10904	2.2
341.08768	34.6
413.67575	0.5
504.86966	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	657.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50417	0.8
58.00604	0.8
59.01386	22.2
64.97385	0.7
67.77792	0.8
71.01379	16.3
73.02979	3.8
77.42542	0.9
80.58864	0.8
83.01393	1.7
85.02950	5.0
87.00854	1.2
89.02440	19.7
95.08382	0.8
96.22928	0.9
101.02438	13.3
108.02157	0.9
111.00890	1.1
113.02419	7.0
118.24899	0.8
119.03500	4.5
122.03695	1.0
123.04414	0.8
125.02421	1.6
125.09658	1.0
131.03465	1.1
134.03709	0.8
135.04527	1.8
145.02939	1.1
146.03734	35.7
147.04524	6.8
148.05338	1.2
149.04749	0.9
149.06039	5.3
155.10735	1.4
161.06076	56.9
162.03229	1.8
167.07120	31.4
177.05533	2.1
179.07056	1.0
184.93970	0.8
193.08690	1.5
199.09685	1.2
208.97186	0.9
221.08209	1.4
222.01534	0.9
227.12823	5.1
253.14343	1.1
268.23300	0.9
271.08374	3.4
271.15518	15.0
295.40527	1.0
299.12943	1.3
312.10007	1.8
327.12512	6.3
328.11746	1.2
329.12433	70.3
343.13956	4.0
383.13489	25.3
459.12662	2.7
469.35321	1.0
474.15479	2.0
489.17697	100.0
490.11670	1.0
491.59009	0.9
495.20590	1.7
638.68866	0.9
639.23376	1.5
657.24054	26.1
657.34576	5.5
670.85443	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	657.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.2
64.72338	0.4
66.75352	0.4
71.01379	8.4
81.64150	0.5
85.02939	0.7
89.02444	7.9
97.02875	0.6
111.21861	0.4
113.02424	0.8
119.32355	0.5
121.02953	100.0
135.04497	0.5
149.04655	1.0
163.07632	0.5
164.01299	0.5
165.09256	0.8
172.84282	0.5
201.12871	2.8
251.14333	0.7
255.08592	0.6
271.13556	1.0
281.15573	0.6
283.13376	1.1
293.35074	0.6
301.14505	2.5
319.15512	11.7
387.13013	2.0
429.14215	1.0
431.20880	2.8
451.19785	16.3
451.25751	0.7
475.19833	0.9
493.20834	3.2
535.21796	0.9
615.24585	1.8
657.15509	0.9
657.25684	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	657.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49265	0.9
59.01383	13.0
60.22161	0.8
69.75151	1.0
71.01381	7.6
76.27374	0.9
78.10370	0.9
85.02940	1.6
89.02436	9.4
91.14458	0.9
92.33108	0.9
100.05975	1.0
113.02396	1.3
121.02948	100.0
130.62804	1.2
149.04636	1.0
196.75653	1.1
201.12936	1.0
232.94446	1.1
239.79051	1.1
301.14484	1.7
311.16550	4.2
319.15518	16.9
325.14386	1.8
329.17590	4.7
387.12878	1.2
436.32343	1.0
448.04901	0.9
451.19757	16.3
493.20764	1.2
511.21881	0.9
639.34167	1.1
657.25488	8.4
657.35089	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	657.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78807	0.8
59.01381	14.3
62.68039	0.8
71.01373	9.5
82.08784	1.0
85.02958	1.6
89.02428	10.6
91.97299	1.0
97.02972	1.3
121.02948	100.0
125.02503	1.2
146.36548	1.0
157.67929	0.9
196.03773	1.2
201.12897	2.2
205.12273	1.2
283.13162	1.3
301.14429	1.6
319.15527	17.2
387.55518	1.2
402.89276	1.1
429.14139	1.5
431.20673	2.0
451.19812	16.7
475.20212	1.4
493.20853	4.0
615.24500	1.7
657.25531	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	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30838	0.2
53.29888	0.2
53.38702	0.2
54.86747	0.3
59.01371	0.5
61.54465	0.3
74.01456	0.2
80.38616	0.3
82.65948	0.3
85.14668	0.3
89.13275	0.3
96.83321	0.3
121.02952	100.0
145.85796	0.3
151.71799	0.3
156.03319	0.3
210.80453	0.2
221.85509	0.3
358.62735	0.3
529.59680	0.3
535.22052	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	657.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88842	0.7
59.01386	100.0
71.44894	0.8
72.60506	0.8
76.07072	0.9
78.91224	0.8
92.19461	1.4
112.80703	0.9
438.32037	1.0
682.11688	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	657.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01379	8.2
82.62318	1.5
89.02426	7.5
96.34952	1.7
119.05008	2.7
121.02949	84.6
143.46841	1.7
147.04555	12.6
165.04314	2.3
165.05592	24.2
188.22864	1.7
274.57748	2.1
287.64362	1.5
301.14212	2.5
319.15515	13.8
325.14197	1.8
327.15930	6.1
329.17868	1.7
341.13898	1.8
381.05164	1.6
429.39020	1.6
451.19550	16.8
493.20956	2.2
536.26166	1.7
537.24927	3.4
639.34802	1.9
657.28174	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26155	1.0
55.73132	0.9
59.01382	100.0
61.64583	0.9
71.01369	12.4
76.94208	1.0
77.67167	1.0
85.02936	1.1
89.02435	13.1
101.02428	10.1
102.79691	1.3
113.02442	6.2
119.03484	6.9
161.04552	2.0
179.05595	5.2
199.35866	1.2
200.02490	1.1
217.41599	1.2
221.06680	1.8
297.14810	1.9
299.16476	6.4
300.97614	1.3
417.22891	2.1
429.22903	6.0
456.14471	1.1
459.23853	34.2
537.27124	15.3
597.29822	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	657.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44933	1.3
51.02490	1.5
53.79788	1.5
54.04307	1.6
58.37691	1.4
59.01384	100.0
71.01378	20.1
83.62193	1.8
85.02936	4.0
87.00874	8.6
89.02428	18.7
92.19424	2.9
92.47068	1.6
100.77728	1.8
101.02437	18.0
113.02430	11.1
119.03485	3.2
136.05298	17.0
165.09215	42.8
183.72879	1.6
217.05566	1.9
231.13901	25.5
233.15459	3.2
257.15363	4.1
315.19922	2.3
329.23404	23.3
477.24872	10.5
477.32217	10.7
495.25946	59.0
495.33228	20.2
537.27032	27.8
555.28284	27.1
597.29175	20.0
657.38995	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55195	1.1
59.01385	100.0
67.92745	1.0
71.01389	7.9
75.24514	1.1
85.02921	1.8
89.02429	6.4
92.19520	1.8
96.96015	6.2
101.02438	5.3
104.68694	1.2
113.02441	7.0
119.03491	1.4
121.02077	2.5
121.02946	52.4
123.04523	53.4
143.75128	1.1
153.05566	98.5
161.04617	1.2
165.01938	1.1
175.89586	1.4
297.90253	1.1
326.78452	1.2
336.37787	1.3
359.28201	12.6
402.16537	1.3
459.24176	2.7
477.25015	18.7
495.26172	8.2
537.19305	2.4
537.27008	28.6
597.28766	11.4
657.39294	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	657.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60433	0.6
57.28429	0.5
59.01382	8.7
63.35093	0.5
67.57794	0.5
71.07806	0.6
75.00881	0.7
78.75420	0.5
100.27213	0.6
121.02942	2.6
125.44817	0.6
129.22011	0.6
147.04510	1.3
162.20747	0.5
165.05533	2.5
191.35831	0.6
312.13687	27.9
313.14066	1.1
327.16043	100.0
328.16357	3.2
329.17548	20.7
385.07819	0.6
520.49615	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	657.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31201	1.7
60.41799	1.6
62.64712	1.7
66.35413	1.4
66.79535	1.9
70.80139	1.7
85.73423	2.0
86.07702	1.9
87.64128	1.8
104.87171	1.7
156.62080	2.1
231.10188	17.1
276.34436	2.2
312.13721	25.0
313.14542	4.0
313.18271	2.3
327.16016	57.1
328.16760	4.8
329.17609	100.0
657.34375	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00953	2.2
231.10294	14.0
312.13681	28.2
313.14136	3.9
327.16028	59.0
328.16730	2.1
329.17596	100.0
398.79547	2.3
657.34564	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08169	0.8
60.23985	0.7
66.69330	0.8
83.84294	0.8
85.99972	0.9
101.44270	0.9
130.04427	1.0
144.28778	1.0
231.10278	7.3
313.14551	1.5
327.16043	3.8
328.16846	11.4
329.17609	100.0
331.19125	1.0
617.06305	1.5
657.34595	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	657.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54121	2.3
73.93713	2.8
89.76310	2.9
118.47799	2.7
120.49668	2.7
168.07867	2.4
168.56903	2.7
280.78940	3.2
329.17624	100.0
537.62653	3.2
622.87335	2.9
657.33911	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	657.344
Annotation	Dianthin B
Peak:m/z	Relative Intensity
60.24125	0.6
66.54345	0.8
67.61686	0.6
94.36879	0.6
123.50185	0.7
178.82137	0.8
206.09785	0.7
231.10284	6.4
240.77022	0.7
312.13708	7.5
313.14349	2.9
324.39832	0.7
327.16034	18.7
328.16733	5.5
329.17596	100.0
508.78110	0.8
657.34467	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	657.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12628	0.9
56.60757	0.9
59.01368	5.8
67.37666	1.0
72.35583	0.9
211.79456	1.1
230.09380	1.7
231.07977	1.9
231.10257	55.7
235.12140	1.0
251.87297	1.2
312.13699	33.8
313.14471	18.1
327.16016	72.1
328.16797	27.3
329.17596	100.0
506.37378	1.2
657.34235	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	657.3447
Annotation	Dianthin B
Peak:m/z	Relative Intensity
53.17464	1.1
53.77727	1.1
65.06825	1.0
109.65904	1.4
152.22079	1.2
231.10271	53.7
267.92526	1.3
312.13748	37.1
313.14487	21.6
327.16040	67.6
328.16861	39.3
329.17603	100.0
657.34442	89.9
657.45660	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	657.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60433	0.6
57.28429	0.5
59.01382	8.7
63.35093	0.5
67.57794	0.5
71.07806	0.6
75.00881	0.7
78.75420	0.5
100.27213	0.6
121.02942	2.6
125.44817	0.6
129.22011	0.6
147.04510	1.3
162.20747	0.5
165.05533	2.5
191.35831	0.6
312.13687	27.9
313.14066	1.1
327.16043	100.0
328.16357	3.2
329.17548	20.7
385.07819	0.6
520.49615	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	657.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42162	0.5
54.98145	0.7
59.01382	4.6
61.98846	0.8
62.01157	0.6
85.31812	0.7
101.02488	0.8
113.02416	0.8
136.05298	29.7
136.39127	0.7
147.08183	1.2
150.06876	0.8
165.09201	63.2
199.26311	0.7
237.58994	0.7
295.67783	0.7
311.22443	1.2
329.23355	54.9
349.92828	0.9
459.31384	1.1
477.32208	17.6
494.32813	6.0
495.33273	34.6
638.26154	0.7
657.38715	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	658.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.3
71.01376	9.7
71.53242	1.0
72.01740	1.3
72.99303	18.0
85.02910	1.3
89.02444	7.4
92.58025	1.1
109.02959	1.6
109.06567	1.4
111.04514	4.4
119.05018	15.5
120.04554	6.4
121.02955	100.0
122.03284	21.7
135.04546	1.5
137.06096	1.9
137.09680	2.0
149.05959	1.4
151.07588	1.6
163.07672	1.2
165.09218	1.8
176.04750	1.7
184.41045	1.1
191.07108	4.3
201.12860	1.8
204.06648	1.7
210.09294	8.1
222.09195	5.5
238.08749	15.8
266.08331	11.6
284.09299	39.8
301.14340	1.6
302.14722	1.6
319.15439	9.7
320.15958	10.6
326.10449	13.0
331.15530	6.8
373.16656	4.8
379.53210	1.3
451.19693	6.4
452.20081	13.6
582.63519	1.5
658.26453	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62083	1.3
57.03445	1.4
57.67564	1.2
59.01383	23.1
63.45962	1.3
71.27845	1.2
72.99305	42.4
75.00864	1.7
78.51282	1.3
81.03470	1.8
91.05537	5.5
92.20002	2.3
95.80525	1.3
97.02905	5.2
99.04556	1.4
104.05056	2.6
107.04996	1.7
109.02937	3.3
111.04519	7.2
117.03429	1.5
117.10268	1.4
117.63161	1.3
119.05024	44.7
120.04542	19.4
121.02954	56.4
121.06584	3.1
123.04527	2.1
132.04553	3.1
135.04552	1.8
135.08119	3.0
137.06084	2.0
137.09715	2.2
139.03951	1.9
139.07655	6.5
149.06108	3.3
149.09702	2.0
151.07701	2.1
163.07664	2.1
165.05510	2.0
165.09190	3.4
175.03993	2.4
175.11247	1.6
176.04709	1.9
177.12886	7.5
190.06319	1.6
191.07182	10.2
193.05080	1.8
193.08699	2.9
194.05815	1.6
203.10783	1.8
204.06631	7.0
210.09204	20.5
212.41501	1.6
213.09207	1.5
219.10201	3.1
221.11909	3.0
222.09283	16.5
231.21513	1.4
238.08723	48.4
247.13327	1.6
248.07086	1.8
266.08228	27.7
284.09283	100.0
308.09470	1.8
313.14328	5.3
326.10370	38.8
331.15552	16.5
373.16599	6.5
420.14536	1.5
469.39716	1.4
616.25555	2.1
658.26611	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	659.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55165	0.8
71.01387	15.8
95.82773	0.8
113.27876	0.8
115.00351	6.1
142.17259	0.8
147.04510	3.4
149.02417	10.0
164.04800	42.6
179.07170	6.6
208.03798	8.9
223.06125	100.0
292.00229	0.9
300.02759	1.5
301.03235	1.2
339.07147	11.1
409.09857	0.9
596.13654	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	659.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35536	0.8
60.88515	0.8
65.31017	0.9
71.01384	17.6
79.56319	0.9
79.71996	0.8
90.45531	0.9
91.59759	0.8
92.20066	1.2
101.37503	0.9
115.00370	7.1
115.57616	1.0
132.02213	0.9
132.66443	1.1
133.01479	1.3
139.04085	1.0
147.04524	1.8
149.02425	12.0
151.03983	0.9
164.04793	46.6
179.07100	6.3
206.99768	1.0
208.03809	6.6
219.95602	0.8
223.06120	100.0
235.28105	1.1
319.08160	1.7
333.82010	0.9
339.07251	11.7
493.09174	1.1
659.25977	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	659.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.7
60.09246	1.5
66.62772	1.6
74.21966	1.7
75.85378	1.9
79.26463	1.8
79.76431	1.7
79.81075	1.6
93.03445	9.9
107.05059	3.8
118.76891	1.9
124.01631	3.7
129.06503	2.0
135.04517	13.7
139.04019	25.1
151.03949	2.1
152.01068	2.3
165.01947	10.9
167.03488	100.0
179.03508	8.2
192.00664	9.5
206.02260	2.1
207.02936	3.5
257.04691	2.1
267.06573	25.0
270.01627	3.4
270.05286	2.1
271.06146	2.8
281.04462	3.1
283.02460	14.2
285.04071	72.9
285.07364	6.8
287.05524	7.0
299.05621	31.0
309.03870	2.1
314.04373	2.8
327.05057	10.0
376.06558	1.9
387.05066	3.4
388.05954	7.1
389.10379	3.2
403.08081	18.6
417.09842	7.4
435.10855	10.7
453.11707	2.2
577.18097	2.0
613.15314	7.6
615.17194	69.9
616.41748	2.3
641.15424	11.0
659.16309	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	659.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24867	1.8
55.30586	1.8
56.08214	1.6
59.01388	4.4
68.98713	1.7
79.80257	1.9
93.03471	9.3
96.01414	2.3
103.48441	1.9
108.57287	2.0
124.01627	4.8
134.03815	2.6
135.04498	12.0
139.04015	25.9
152.01155	3.6
165.01938	13.7
167.03500	100.0
179.03465	4.5
192.00700	9.3
206.02168	2.2
207.03027	2.8
252.04585	2.4
256.03745	4.2
257.04596	4.4
267.06686	28.1
270.01733	2.6
271.06219	4.3
276.72250	2.1
283.02417	12.6
285.04108	66.3
285.07553	9.4
287.05402	2.8
297.04034	2.2
299.05600	26.3
309.03857	2.7
327.05008	11.1
388.05838	7.4
401.06412	2.4
403.08099	14.5
417.09747	8.0
435.10989	14.3
438.55951	2.5
447.09232	2.9
508.42825	2.2
582.26532	2.2
613.15869	8.8
615.17365	64.7
641.15277	12.0
659.16437	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.01441	0.5
59.01382	0.8
67.93111	0.6
71.01376	10.6
73.02936	3.6
78.69089	0.6
79.16888	0.7
83.01398	0.7
83.07367	0.6
85.02969	5.0
93.03490	0.7
99.00877	0.9
101.02450	7.7
105.01134	0.7
107.10864	0.6
111.00895	0.7
113.02434	5.2
121.02957	3.2
121.06529	0.8
122.03735	100.0
123.04518	24.6
135.04491	2.4
137.06104	2.5
147.04512	2.6
159.03067	0.8
161.04610	7.2
165.05557	12.2
173.04515	1.3
177.05609	5.4
182.58411	0.6
198.24754	0.6
285.09747	2.5
329.08817	88.6
479.21716	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	659.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83062	0.3
55.80045	0.3
56.38984	0.3
84.90845	0.3
108.02172	12.3
121.94611	0.3
123.04518	16.8
125.42701	0.4
138.80385	0.4
152.01154	21.1
167.03493	100.0
192.90517	0.4
195.21165	0.3
232.88763	0.3
299.50458	0.4
300.34900	0.4
329.04865	0.8
329.08807	24.6
421.19611	0.4
451.86969	0.3
505.49399	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	659.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23605	0.3
59.55824	0.4
65.52561	0.4
73.58422	0.4
78.46492	0.4
83.90314	0.4
87.60088	0.4
89.38647	0.4
111.15314	0.4
116.49190	0.4
117.87423	0.4
122.03708	0.6
160.56638	0.5
167.07129	100.0
234.48006	0.4
329.12424	24.7
619.93384	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	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15804	0.7
59.01373	3.9
61.98845	0.7
63.14247	0.6
71.32539	0.6
86.20367	0.7
86.31540	0.7
87.00820	0.9
92.20190	1.2
101.02438	0.9
121.02938	7.1
147.96552	0.6
151.04001	0.7
155.10774	0.7
164.75069	0.6
211.13318	3.0
223.13400	1.2
247.38025	0.8
254.61432	0.7
272.01617	0.7
329.17609	100.0
330.17920	1.2
331.18219	0.8
437.87521	0.7
534.16913	0.7
563.81494	0.7
597.46515	0.7
600.03973	0.8
613.30286	0.8
632.79022	0.7
655.76965	0.7
659.33868	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	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32181	5.2
59.01386	49.5
71.01376	12.5
81.47277	5.9
88.98833	6.7
89.02451	14.5
101.02447	8.8
123.04492	11.0
125.02439	88.3
135.04449	6.7
137.02464	11.7
137.09767	6.5
153.05574	11.6
156.99446	6.3
165.01912	24.4
167.44963	7.5
179.03360	9.9
203.07111	13.2
208.09772	8.0
243.06734	8.8
245.08109	7.3
259.06088	63.0
287.05685	100.0
289.07248	29.1
659.26733	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25999	2.4
54.11214	2.0
59.01385	30.9
61.98826	14.9
71.01387	18.5
73.02950	3.4
85.02921	3.5
88.98785	2.8
89.02435	12.7
101.02434	16.2
108.41364	2.2
109.02962	3.2
113.02439	3.1
116.92822	3.9
119.03429	3.0
120.99632	4.2
121.02931	4.2
122.06052	4.8
125.02470	5.9
132.37953	2.3
137.02391	3.6
140.07179	30.0
147.06932	3.8
148.07668	14.4
149.95642	2.8
151.03915	3.6
161.04715	4.5
162.05640	3.7
165.02032	4.1
165.09158	2.6
179.05634	2.7
195.10242	19.0
204.06612	4.6
205.04941	4.7
245.08101	2.9
252.10260	3.5
252.12650	3.5
253.06087	2.6
253.09796	9.7
255.11357	3.3
257.13010	2.7
267.07712	10.6
267.11478	4.3
268.08493	5.9
268.12076	11.4
272.23993	3.3
280.08569	19.5
281.09387	23.3
285.12396	9.8
287.13989	30.3
289.07300	9.9
295.10870	69.4
296.11563	22.6
297.12506	10.7
313.12042	3.3
327.13498	13.6
339.09723	3.4
369.13437	5.5
371.12497	10.4
404.16473	3.8
414.41415	2.8
420.15198	3.7
500.53403	2.7
507.16772	2.7
583.26025	5.8
599.30823	15.4
627.24738	100.0
659.27222	97.2
659.37000	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	659.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63037	5.2
55.02009	5.1
55.10741	5.9
59.01380	12.8
66.30914	5.5
71.01373	11.0
80.91870	6.0
89.02454	11.3
97.42515	5.9
100.72762	5.5
112.58252	5.8
121.02953	100.0
122.03263	47.4
125.92926	5.9
240.55737	6.8
334.82391	7.0
370.90405	7.3
452.20090	9.0
659.28033	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42886	4.8
58.74392	5.9
67.89011	5.4
68.80590	4.8
73.62849	5.0
74.72790	5.1
75.10184	5.5
101.79722	5.7
124.80349	5.0
130.44136	6.1
156.59683	6.2
162.56223	6.1
192.99141	5.5
313.23764	6.9
659.31921	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	659.3216
Annotation	Gambogoic acid A
Peak:m/z	Relative Intensity
64.74210	5.1
81.96212	5.6
82.39774	5.8
134.18147	6.2
157.76375	6.2
276.51471	6.2
280.04480	6.1
288.26398	7.4
418.96222	6.6
428.55402	6.6
475.95694	6.8
623.34735	9.9
659.32263	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	659.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17584	0.2
54.39671	0.2
56.91000	0.1
66.20853	0.2
70.46368	0.2
71.48776	0.2
76.04874	0.2
93.03413	0.2
119.76314	0.2
197.21309	0.2
203.81346	0.3
211.07619	3.4
226.09956	0.9
227.10783	100.0
239.86209	0.2
267.98712	0.2
277.76935	0.2
283.13419	11.5
301.14453	4.2
511.24948	5.9
585.28638	37.9
659.32385	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	659.475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40617	3.5
80.49422	3.8
99.08192	4.5
125.02425	6.0
160.46701	4.2
171.10199	6.9
183.13892	4.9
211.13391	43.3
229.14488	26.8
329.23404	100.0
659.35443	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	660.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40140	0.4
56.16698	0.4
59.01389	2.2
61.98834	100.0
77.75716	0.5
79.15022	0.4
84.68878	0.6
116.92908	0.8
135.24652	0.6
252.68430	0.5
394.26019	0.5
451.93356	0.5
471.06067	0.5
580.45514	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	660.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.1
61.98835	100.0
64.70736	1.0
66.05453	0.8
70.09451	0.8
71.01346	1.5
75.09879	0.8
108.60605	0.8
113.02422	1.4
150.80179	0.9
165.86862	0.8
253.87550	0.9
436.19583	1.0
532.42157	1.0
630.06458	1.2
660.33258	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	660.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43116	0.4
55.11349	0.5
55.39983	0.4
59.01385	4.3
61.98834	100.0
67.52020	0.5
71.01366	0.7
73.02951	0.5
83.01307	0.5
92.20222	0.5
106.84522	0.5
160.15099	0.5
221.99940	0.5
232.14592	0.7
274.88242	0.6
498.26910	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	660.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
60.01716	0.7
61.98834	100.0
72.29131	0.6
86.82012	0.6
96.20881	0.6
110.65272	0.6
113.02465	0.7
125.02327	0.7
240.57355	0.8
362.04388	0.7
401.00992	0.6
406.65292	0.9
469.11588	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	661.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00496	1.7
58.12230	1.5
59.01361	2.0
66.98568	2.1
88.98814	2.3
97.61613	1.9
116.39793	2.0
116.92847	3.8
127.26719	2.3
139.03998	3.8
141.39600	2.0
165.01942	23.5
183.02988	2.9
192.00685	3.2
203.03595	2.2
207.02975	15.4
226.20993	2.5
227.03404	15.1
253.01541	3.8
255.03047	17.9
258.01855	4.6
259.02499	12.3
271.02466	4.7
273.04080	32.2
281.00903	32.3
283.02686	2.2
299.02002	2.6
301.03296	3.8
309.00470	31.4
310.01212	16.9
325.03589	4.4
362.04538	2.7
449.05380	14.6
647.42651	2.2
648.95746	2.2
661.08539	100.0
661.19647	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	661.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10708	0.6
59.01365	0.9
65.00336	1.0
91.00851	0.7
97.02950	0.8
100.93697	0.7
109.02935	3.3
121.02932	1.6
125.02457	7.8
128.93579	0.9
137.02435	15.5
151.00340	0.9
163.00397	2.7
165.01929	47.6
175.00290	0.8
177.01985	0.9
190.99832	1.2
193.01384	0.9
204.00671	1.2
253.01550	0.7
269.01025	1.8
269.04559	1.9
271.06110	4.2
283.02570	1.7
297.00388	1.0
301.03168	1.1
312.02805	4.7
312.99890	2.9
313.03430	1.1
316.02216	2.9
317.03079	3.1
327.01443	7.7
328.02246	1.7
331.04721	1.4
342.03873	6.7
343.04599	3.7
400.02307	0.8
403.38324	0.8
417.02765	1.0
435.03445	1.1
477.05222	0.9
479.02573	17.1
494.04892	4.5
509.07275	100.0
535.06525	0.9
661.22095	0.8
661.34595	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	661.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12637	0.5
54.69699	0.6
56.71133	0.7
69.98841	0.6
70.67747	0.6
71.01381	2.4
85.02923	1.0
89.02438	0.8
90.26147	0.7
92.19466	2.0
101.02418	1.7
108.02164	22.4
109.02944	17.3
109.39826	0.7
113.02442	1.5
115.70531	0.7
120.83974	0.7
121.02930	1.1
122.03729	1.4
123.04498	1.2
129.85666	0.6
135.04460	0.7
137.02426	1.1
139.04053	1.4
149.25888	0.6
151.03987	2.4
152.01146	49.7
153.01938	33.6
153.03180	0.6
163.03995	0.9
165.01944	2.7
169.05098	3.2
181.04982	0.7
293.18201	0.9
315.07242	100.0
331.10245	2.5
379.72369	0.7
601.94916	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	661.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29468	0.6
52.89462	0.5
56.32334	0.5
59.01402	1.2
65.46574	0.6
69.87513	0.6
72.99308	1.5
75.00874	100.0
89.86720	0.7
93.03448	1.1
116.49907	0.6
121.02964	6.4
121.71400	0.7
135.04514	0.9
137.02448	5.7
198.30226	0.6
210.92366	0.6
246.87495	0.7
321.25278	0.8
559.22137	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	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01203	1.0
51.46845	1.2
53.36342	1.1
59.01377	12.5
63.26090	1.1
71.01378	1.3
75.87823	1.3
82.65470	1.2
86.02483	1.2
86.02988	1.3
92.20091	2.4
116.92854	2.1
121.02947	100.0
128.67601	1.4
149.09720	2.2
165.09155	2.1
178.06393	1.6
192.08032	1.7
193.08701	16.0
219.10275	1.8
245.11894	2.0
269.11917	1.6
297.11923	1.3
309.10699	1.3
311.16309	2.0
313.18155	25.9
329.17426	5.6
331.19162	28.6
333.29453	1.4
341.13989	2.9
359.14948	6.7
377.15994	5.8
419.16934	2.3
481.18729	2.6
499.19101	1.5
499.29410	1.9
559.21930	31.6
601.22888	14.4
625.22150	5.1
654.24060	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	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51312	0.8
51.68214	0.8
55.93575	0.9
57.83676	0.8
59.01389	26.1
85.02956	1.5
85.51997	1.2
90.51992	0.9
90.72932	1.0
91.27771	1.1
100.95061	1.2
104.00176	1.0
109.02931	0.9
109.07890	1.0
116.92856	27.0
116.94183	1.0
121.02952	100.0
147.15417	1.1
182.88319	0.9
274.74191	1.1
279.95441	1.1
289.40561	1.2
364.07083	1.3
366.28195	1.1
389.16013	1.5
419.17148	4.0
449.18039	1.8
601.22571	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	661.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68335	0.4
61.78757	0.5
199.39343	0.5
280.11014	20.2
308.10547	10.0
309.23895	0.5
323.12900	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	661.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31088	0.5
50.94146	0.6
55.03032	0.6
55.58174	0.5
59.01392	2.4
63.10626	0.6
72.11366	0.6
73.15149	0.6
92.19451	2.0
111.04559	1.3
113.06137	4.9
121.06694	0.9
121.09162	0.7
123.04475	0.8
125.06084	0.9
137.09682	5.7
139.07623	4.5
151.07587	0.9
153.01826	0.6
155.10812	4.4
163.07726	2.9
168.64714	0.7
181.08757	8.8
183.06630	1.0
199.09755	9.6
214.86827	0.7
243.08731	100.0
271.98325	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	661.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96512	0.5
62.64878	0.6
66.02753	0.5
66.03183	0.6
81.03059	0.6
81.03452	5.5
83.01394	0.6
125.02438	37.7
125.03358	1.4
126.87791	0.6
186.81616	0.6
188.67709	0.6
199.42812	0.7
247.20604	0.6
249.18736	1.1
267.19684	4.3
270.28482	0.7
285.20734	17.4
289.21698	3.1
291.19589	1.0
306.74200	0.7
313.21823	1.2
331.22806	22.6
333.20798	0.7
349.23724	1.3
375.21790	83.4
393.22787	4.2
599.21283	0.7
661.43329	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	663.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35314	1.4
57.03448	2.3
59.01381	11.7
59.56774	1.6
69.03448	1.6
71.01386	14.3
72.99299	18.8
73.02945	38.9
75.00871	2.3
77.43055	1.6
84.25584	1.5
85.01028	1.6
85.02951	36.7
87.00887	2.2
89.02438	7.4
95.01385	9.7
99.00866	12.6
101.02436	13.3
103.03993	2.5
113.02441	100.0
115.00349	6.9
129.01955	18.1
131.03511	21.0
135.37289	1.8
157.01439	11.9
173.04475	2.5
175.02473	41.1
191.05695	3.0
235.04703	2.1
256.89273	2.3
273.64423	2.2
291.59665	1.8
307.06400	1.8
367.08966	16.4
392.47049	2.0
469.12064	12.5
487.13034	26.5
601.65149	2.3
602.99115	2.8
603.13995	3.3
645.15594	2.4
663.16412	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09969	3.0
50.47476	3.0
51.99961	3.1
52.78202	3.3
55.17187	3.3
59.01380	8.4
73.10564	3.3
88.85116	4.2
107.40060	4.1
121.02966	100.0
167.02792	4.1
177.17717	4.1
193.08833	5.0
245.23497	3.6
272.01419	5.3
336.61224	4.2
412.82272	4.2
527.65460	4.7
543.22565	34.4
625.22382	22.2
627.23621	7.2
637.65204	4.2
663.20624	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	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.6
68.91154	0.7
71.01389	1.2
77.92221	1.0
88.56207	0.9
109.03046	1.1
121.02956	100.0
121.06575	1.3
125.02412	1.2
135.08139	1.3
144.99817	0.9
149.06076	2.3
159.19978	0.9
177.05540	1.1
185.11852	4.4
191.07433	1.1
193.08742	1.1
209.08093	1.8
343.15845	1.1
483.20148	4.6
501.21246	7.2
543.22498	4.1
561.23108	1.1
603.24567	9.7
663.27124	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	663.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83786	1.5
58.87725	1.5
59.01386	33.0
73.20016	1.2
75.00876	44.1
78.53853	1.4
89.65681	1.4
92.20097	2.3
121.02951	100.0
125.02390	2.0
151.04051	1.5
168.87071	1.3
209.08186	1.8
255.10234	1.5
285.11197	1.6
303.12299	2.5
309.99307	1.4
363.14569	11.4
423.16376	2.6
561.23944	1.7
603.24689	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	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59189	0.9
54.02197	0.8
59.01380	22.2
59.77999	1.0
61.98836	1.5
71.01385	1.7
75.18760	0.9
84.13783	1.0
89.02460	1.3
96.96039	1.2
99.04516	3.8
101.02428	1.3
111.04507	1.2
113.02471	2.0
116.92863	2.2
121.02946	100.0
135.04445	1.2
141.49304	1.1
153.05545	1.2
165.09145	1.2
247.13168	1.0
361.16458	1.2
483.20090	1.4
492.97836	1.1
501.21466	17.4
543.22607	5.3
615.99884	1.4
663.29938	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	663.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92249	1.0
59.01382	5.0
61.58401	0.9
63.89246	1.0
71.01389	1.9
73.97166	1.0
92.20040	1.9
109.11559	1.2
121.02951	1.4
122.06111	15.9
126.03014	1.2
140.07182	2.2
152.07155	7.5
154.87242	1.5
157.08739	1.4
161.04803	1.7
165.75906	1.1
188.03513	2.5
208.05949	1.3
213.10526	1.4
220.06111	13.6
227.08252	8.2
227.11893	11.0
228.09029	4.5
228.12622	1.9
229.09877	2.6
229.13499	15.9
239.11847	4.5
241.09770	10.2
241.13417	1.8
245.12744	1.6
253.09813	7.9
255.07619	1.8
255.11491	9.2
256.12128	7.0
257.09296	5.2
257.13037	8.4
265.09735	1.8
267.11255	7.9
268.12152	6.8
269.12793	2.8
271.10754	1.8
273.08807	1.2
275.14066	8.0
277.51953	1.3
283.10898	9.5
285.12427	5.8
293.09262	16.1
294.10077	4.6
296.08044	4.2
297.08762	7.6
298.08493	1.7
301.08273	1.5
311.10345	7.6
315.09872	7.5
329.11365	2.0
343.12909	1.9
387.11957	16.5
388.12872	4.5
433.40192	1.2
633.60468	1.3
645.25409	1.7
663.26721	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	663.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08253	1.3
59.01380	10.8
67.21432	1.7
75.79983	1.5
76.33998	1.5
83.60464	1.5
86.59492	1.5
122.06116	17.9
140.07259	1.9
151.04030	2.3
152.07198	7.8
165.02002	2.9
181.04942	1.7
191.05664	3.8
220.06122	6.1
227.08345	4.0
227.11917	7.7
228.12572	2.1
229.13509	18.6
236.24777	1.8
241.09837	9.6
253.09904	10.0
255.11424	8.1
256.12247	2.7
257.09363	3.0
265.06454	2.1
265.09756	2.4
267.11426	10.8
268.12228	3.1
269.13004	2.9
275.14151	7.5
279.07834	2.9
283.11002	11.8
284.11639	2.4
291.33176	1.9
293.09406	16.6
294.10132	15.4
295.10721	2.4
297.08887	6.7
311.10477	10.1
315.09839	7.5
343.13083	3.1
387.11960	20.1
388.12885	2.3
501.20459	2.5
511.08636	3.8
586.81219	1.8
594.96600	2.0
627.26556	6.7
663.26758	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	663.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24111	1.2
54.82033	1.3
59.01382	1.6
63.94187	1.1
65.52098	1.3
71.01377	1.4
80.72385	1.4
87.80013	1.4
89.02436	1.9
92.19440	2.8
95.40115	1.4
95.91234	1.4
109.96072	1.4
122.06114	21.6
125.02391	2.7
129.17332	1.3
136.07639	1.7
145.92824	1.2
152.07187	2.9
161.04851	1.4
183.10011	1.5
215.11247	1.4
220.06107	6.6
227.08270	6.6
227.11792	9.4
228.08934	1.7
229.09717	1.6
229.13440	13.1
239.11899	1.8
241.09749	6.4
245.12933	2.0
253.09796	8.7
255.11351	9.0
256.12051	3.0
257.09344	3.1
257.13004	2.2
265.09598	1.6
267.11383	9.9
268.12106	2.8
269.12927	2.5
273.08820	1.6
275.13995	9.4
279.07697	7.0
283.07809	1.4
283.10870	11.2
285.12430	7.7
293.09393	16.5
294.10074	8.5
296.08060	5.4
306.81076	1.4
311.10278	8.8
314.09128	1.6
315.09827	7.4
329.11557	2.1
359.60190	1.5
368.20206	1.6
387.11917	17.7
405.61230	1.8
470.78015	1.4
497.62253	1.8
514.85663	1.5
615.77063	1.5
663.26764	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	663.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13329	1.0
54.92183	1.4
59.01375	6.0
61.98828	1.5
67.82043	1.4
83.39275	1.3
85.02970	1.5
89.02416	2.0
92.20026	1.6
101.02447	1.5
109.02926	2.2
113.02402	1.5
113.67358	1.3
121.02919	2.0
122.06123	6.9
123.04513	2.3
150.03221	1.5
151.04031	2.1
155.10738	3.1
160.05281	5.5
161.04773	1.3
168.86555	1.5
172.05486	1.4
173.06093	3.3
173.76488	1.4
177.98465	1.4
194.92804	1.5
211.80736	1.4
217.05009	9.2
219.06665	2.5
220.06209	3.1
226.11162	1.9
227.08194	2.8
227.11911	11.2
228.08876	2.3
229.13411	7.4
231.06529	6.5
233.05914	1.6
241.09755	6.4
241.13486	2.1
253.09760	13.4
255.11372	6.2
256.12177	5.2
257.09268	3.0
257.12933	2.8
267.11420	7.7
268.12112	8.6
269.12878	6.0
271.10440	2.2
275.14072	3.1
283.11020	2.7
285.12314	7.4
293.09213	2.5
294.10013	2.4
296.10666	1.6
297.08762	2.1
311.13007	2.2
315.09915	2.7
329.11401	1.8
340.09561	1.9
343.13031	5.5
355.11884	8.9
373.13055	27.1
387.12079	5.1
451.39508	1.7
501.21262	3.0
559.26917	1.7
577.29193	1.6
663.26740	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	663.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48067	0.5
53.59485	0.5
59.01382	24.1
59.14495	0.5
71.01379	14.1
72.43180	0.5
73.31852	0.5
85.02940	1.3
85.04874	0.6
89.02436	21.4
101.02434	13.6
113.02426	8.1
119.03497	7.5
123.04549	0.6
125.02460	4.6
137.02452	0.7
139.07648	0.7
147.02824	0.6
157.08708	1.3
163.03973	2.0
181.08704	100.0
191.05632	0.6
319.13974	64.2
342.00626	0.6
343.13998	28.3
522.56714	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	663.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42103	0.4
73.14207	0.3
79.63219	0.4
84.98550	0.4
92.19430	0.7
96.23351	0.4
108.32358	0.4
121.02937	0.9
155.17442	0.4
331.19180	100.0
422.17560	0.4
529.57526	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	663.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
65.45427	0.4
69.41558	0.4
73.24760	0.4
74.00945	0.4
76.82550	0.4
80.56098	0.4
81.03477	3.4
98.11554	0.5
109.95993	0.6
112.78008	0.4
122.03711	0.5
125.02443	18.7
170.88388	0.5
209.10779	0.5
251.19827	0.5
267.19623	3.8
269.21094	0.7
282.62717	0.5
285.20703	7.7
287.22354	5.8
289.21631	0.9
291.23294	1.7
293.21323	0.9
315.23358	0.6
331.22824	8.8
333.24396	9.3
349.23792	0.6
375.21793	33.6
377.23343	53.2
393.22842	2.2
395.24319	2.0
459.64044	0.6
579.78198	0.5
663.44867	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	664.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89890	1.3
58.88749	1.5
61.98839	100.0
65.14944	1.3
88.41019	1.4
109.02940	5.4
121.02962	17.1
121.05209	1.5
123.04493	2.1
125.02447	3.6
134.03690	1.5
137.02469	3.7
139.03993	7.9
149.02522	2.2
151.00310	2.0
151.03955	3.4
153.01965	2.7
154.13545	1.5
157.25198	1.5
163.00345	1.9
164.01149	2.8
165.01920	38.7
167.03484	2.0
178.02722	2.4
179.03514	6.6
193.01505	3.1
228.02623	1.5
238.53148	1.6
256.03824	2.1
269.00696	2.1
271.06027	6.0
277.45367	1.4
283.02441	2.2
285.04095	6.4
299.05612	2.0
300.02643	3.1
312.02771	9.6
313.03442	2.0
315.05197	21.0
329.06607	12.3
331.08139	3.2
419.07932	2.6
467.09729	7.3
493.19614	1.5
569.11060	8.8
586.67053	1.8
601.13635	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
71.01374	30.9
73.02931	2.1
85.02956	2.9
87.00871	2.5
93.03433	11.7
97.02952	3.3
99.00836	2.8
101.02432	10.4
105.01920	2.3
115.00361	100.0
119.05021	5.3
120.86800	1.3
122.05349	1.3
125.02497	2.9
131.05029	1.8
133.02960	2.5
136.25990	1.4
141.01924	2.1
143.05028	7.2
145.02951	19.0
155.03378	1.6
161.04552	47.4
163.03999	8.4
175.06120	8.0
179.05603	26.2
193.07169	81.4
210.06844	18.5
211.05940	2.8
211.07634	81.2
211.95592	1.5
223.07594	12.6
235.07625	6.9
237.09189	27.2
239.10777	7.1
250.06206	2.0
253.08707	5.3
259.04538	5.8
263.06839	1.5
265.08688	55.2
267.06561	20.9
273.06091	3.5
277.05609	6.2
289.78235	1.4
291.07199	76.9
309.07700	45.1
325.09161	6.4
327.08777	7.4
339.10651	1.8
373.12976	10.7
453.12204	11.0
459.16534	2.7
471.13168	12.7
485.14450	19.6
489.13968	3.1
503.15598	39.8
647.00861	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	665.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81116	1.5
59.01408	2.9
71.01363	3.0
71.19997	2.0
72.63584	2.0
72.72918	2.0
90.57707	2.2
109.02963	3.2
111.04544	4.7
115.00372	8.5
117.03458	3.5
119.05003	20.0
125.02444	64.7
135.04471	2.3
137.02446	19.2
139.04044	12.3
145.02969	100.0
151.03989	2.5
153.02036	2.3
161.02377	3.1
161.04631	3.9
163.04028	29.2
164.01140	2.7
165.01953	20.4
166.02547	1.9
167.03508	27.5
177.01950	3.4
179.03497	14.1
179.05605	3.0
193.07162	3.2
201.60539	2.0
203.03455	3.1
204.04288	3.3
211.07681	15.5
219.06613	16.5
221.04619	8.0
234.30328	2.2
237.09258	2.9
265.08722	3.7
291.07339	4.1
305.06680	82.7
309.07492	7.5
325.09216	37.3
339.10889	20.8
503.15683	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	665.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28078	77.8
81.80795	65.8
90.18886	79.5
91.72911	66.3
100.70307	77.5
113.01539	68.0
121.02926	100.0
155.21292	75.5
162.58458	76.1
256.64655	91.1
496.96698	79.1
543.03790	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82037	8.3
59.47531	7.5
71.68898	9.3
121.02971	100.0
147.21855	10.9
458.74045	9.9
543.20288	42.7
637.91907	12.0
665.23999	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87848	38.2
54.99853	43.2
59.94087	46.0
62.36675	43.6
64.06703	42.9
82.42738	46.8
121.02970	100.0
123.04536	53.3
125.02460	82.8
174.23119	52.1
315.08878	53.1
665.22949	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42502	1.4
51.79073	1.1
56.06886	1.5
57.55764	1.2
67.62268	1.1
67.94504	1.2
71.01395	9.3
76.14493	1.2
82.77425	1.2
83.43360	1.4
90.75121	1.3
91.77325	1.4
106.77931	1.3
110.63157	1.1
115.00378	18.6
115.69469	1.5
119.05019	32.0
122.47784	1.4
133.01434	100.0
153.34102	1.5
163.04018	78.4
187.89207	1.7
279.05112	21.0
345.26657	1.4
434.57098	1.6
547.98383	1.7
646.08392	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	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56247	0.4
57.42280	0.4
71.01385	7.7
74.04105	0.4
79.40726	0.4
115.00361	5.2
119.05019	25.6
121.02913	0.7
163.04013	100.0
194.71179	0.5
279.05142	14.5
506.80771	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	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91769	0.6
76.55427	0.7
92.93638	0.7
99.48831	0.7
113.02409	0.7
125.02439	1.5
137.02434	0.7
141.09221	58.5
155.69931	0.7
167.07100	1.1
185.08200	100.0
359.69272	0.7
639.80786	0.8
665.29846	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	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91494	0.6
52.85594	0.6
59.01387	11.1
61.98837	16.2
62.00769	0.6
65.07224	0.6
67.47224	0.7
70.54300	0.6
71.01377	0.6
77.36406	0.7
88.12493	0.9
88.34980	0.7
90.91033	0.8
92.20098	3.8
101.02422	1.0
105.14503	0.7
116.92856	0.7
121.02950	100.0
133.44034	0.7
137.02469	1.0
149.02428	0.9
152.20494	0.7
165.01910	4.1
168.93506	0.8
173.22072	0.8
187.05307	0.7
267.16165	0.8
315.05057	1.5
316.05402	1.3
329.06604	1.0
342.85379	0.9
476.55505	0.8
487.19904	1.3
503.32062	1.0
545.23907	19.8
570.10846	1.0
602.13898	14.4
605.25836	0.9
665.37750	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	665.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	41.3
65.84808	1.8
70.98154	1.7
85.61398	1.8
99.00461	1.8
121.02955	100.0
140.90036	2.5
270.50290	2.2
352.35013	1.8
423.20343	18.4
483.22446	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	665.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	67.1
59.01688	2.4
69.61946	1.1
74.72984	1.2
76.45814	1.4
99.04561	2.8
105.01939	2.1
117.82304	1.3
119.90861	1.3
121.02953	100.0
125.02452	1.8
135.37607	1.3
139.04034	1.8
177.01802	1.3
189.40919	1.2
191.03563	1.8
215.13998	1.3
235.48743	1.5
269.35379	1.5
334.26123	1.4
363.18225	1.7
373.25381	1.3
428.28336	1.7
483.22278	3.2
485.21970	5.5
544.48535	1.7
545.23938	26.5
559.69244	1.5
605.25623	3.1
665.35095	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	665.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	36.2
99.04526	1.3
110.36335	1.0
121.02951	100.0
125.02470	2.2
156.92368	0.9
165.01860	1.5
167.07150	1.1
363.18118	2.2
375.81921	1.1
545.23975	16.0
605.26251	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	665.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87479	0.7
59.01386	15.0
76.51530	1.0
85.17282	1.1
94.69022	1.1
101.06081	1.8
102.04187	1.0
105.03810	1.0
121.02953	100.0
125.02412	1.8
126.27808	1.0
135.55696	1.0
137.02432	1.2
148.54012	1.0
151.04079	1.9
152.60715	1.2
156.45639	1.0
255.12459	1.4
359.15073	1.4
373.62338	0.9
545.23792	6.3
590.56158	1.0
605.25775	2.1
665.29309	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	665.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96370	3.5
56.77266	3.0
60.30150	4.4
65.36291	3.0
76.86250	3.2
121.02955	100.0
123.05743	3.9
182.61865	3.7
306.21106	3.9
356.59366	4.6
374.41800	3.4
437.85901	4.4
602.13635	4.1
651.06854	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	665.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.2
64.11226	2.0
98.10564	2.1
117.03470	36.0
118.04257	39.7
119.05032	4.4
121.02947	29.2
123.04509	14.3
133.02957	4.6
145.02959	37.1
162.03197	12.4
163.03951	2.3
177.01985	2.5
177.05531	4.3
177.56377	2.5
223.80072	2.0
280.10730	2.3
322.12195	10.0
323.12909	20.7
354.60236	2.3
371.18457	2.3
665.30194	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	665.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06234	0.3
57.03437	0.3
59.01385	3.7
69.03451	1.3
71.01388	2.1
71.05018	1.5
73.02941	0.3
83.05044	0.4
85.06604	0.7
89.02425	2.4
97.14407	0.3
101.02446	3.1
113.02420	2.2
119.03445	0.4
125.09708	0.3
143.03423	0.3
149.09665	1.2
151.15706	0.3
161.04533	1.5
161.13387	0.6
167.10789	4.8
177.12820	1.3
179.05589	0.3
179.10872	2.1
179.14395	6.2
195.13908	20.2
205.12341	16.6
205.13875	0.3
223.13393	100.0
227.53949	0.3
235.08224	2.0
253.09335	3.7
411.25543	1.6
429.26569	1.4
441.21475	3.0
459.22409	15.9
595.30981	0.6
596.89923	0.3
621.33087	1.4
622.50043	0.3
647.34259	8.0
665.35638	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	665.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96628	0.9
60.13984	1.0
61.98830	1.2
78.68830	1.0
80.11176	1.1
80.34801	1.2
81.03428	2.4
81.72534	1.0
88.86452	1.2
125.02431	12.8
138.46095	1.0
227.15018	1.5
227.55562	1.0
251.20271	1.5
269.21127	7.0
287.22284	15.3
291.23331	1.6
293.21332	1.8
333.24405	16.3
351.25500	2.1
359.22379	1.5
377.23343	100.0
395.24411	6.0
665.33405	8.3
665.46344	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67577	0.9
70.79044	0.9
71.71475	0.9
81.03448	1.5
93.92645	1.0
125.02435	11.9
131.95767	1.0
169.39011	1.0
269.21140	4.8
287.22324	12.9
291.23300	1.2
293.20917	1.0
315.23035	1.1
333.24426	15.1
341.61029	1.1
351.25540	1.8
377.23352	100.0
395.24362	5.1
535.49426	1.1
665.33582	5.7
665.46368	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50703	0.5
53.46227	0.5
55.01318	0.5
59.01399	0.6
60.77329	0.6
61.98835	100.0
71.80000	0.6
77.25264	0.7
121.02945	4.1
166.78633	0.6
279.92404	0.6
581.89136	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	666.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29148	0.7
59.01397	2.7
61.98838	100.0
62.21117	0.7
63.39951	0.6
78.01208	0.6
86.93082	0.7
272.18289	0.8
327.97147	0.9
354.32080	0.8
356.15912	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	667.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80046	2.9
58.88159	4.1
60.99308	5.9
88.98807	47.9
106.77306	3.4
109.02941	12.6
118.14803	3.5
123.04575	4.4
125.02448	100.0
137.02409	17.9
151.04019	8.3
161.02448	23.8
175.03926	4.2
203.07100	14.1
205.05042	16.7
245.08221	31.1
255.03015	6.2
256.03952	4.3
285.04190	4.5
287.05695	8.2
289.07193	53.7
339.08780	15.4
407.07770	55.5
425.08902	68.8
451.10349	14.1
577.13629	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09769	9.7
60.38539	11.4
62.68549	11.5
74.48434	12.1
88.98796	66.5
91.90907	11.7
125.02434	100.0
137.02449	16.9
177.01921	74.0
196.37781	13.3
228.09355	11.9
289.07169	22.8
344.84976	14.2
407.07648	23.5
425.08813	30.7
462.34268	15.8
577.13641	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.132
Annotation	Unknow
Peak:m/z	Relative Intensity
77.71342	3.3
87.28596	3.3
88.98811	47.8
109.02939	7.2
123.04545	4.7
125.02448	76.1
134.08337	3.2
137.02440	15.4
151.03998	8.1
161.02380	27.0
165.01955	4.5
175.04045	6.1
179.03531	4.8
187.04057	5.3
203.07086	5.5
205.05011	4.4
229.05075	3.9
245.04408	5.7
245.08121	20.8
255.02943	6.8
256.03769	6.6
273.03748	5.2
281.04404	5.8
285.04132	4.0
287.05600	7.6
289.07214	32.8
297.03943	4.0
339.08676	5.8
379.93802	4.2
407.07776	45.8
425.08829	73.6
451.10437	17.7
476.85117	3.6
550.79883	4.2
577.05316	6.4
577.13690	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	667.189
Annotation	Jaceidin 7-neohesperidoside
Peak:m/z	Relative Intensity
100.31618	1.0
167.60561	1.0
193.12921	0.9
222.85245	1.0
273.04004	4.4
284.03177	1.7
285.03717	1.0
288.06332	1.4
299.05750	1.5
300.02707	1.7
301.03583	5.8
315.05090	3.4
316.05817	3.8
329.03061	33.5
343.04593	83.3
344.05405	71.6
358.06958	20.3
359.07776	84.2
385.52826	1.0
411.23828	1.0
592.14587	1.1
643.78485	1.0
667.18872	100.0
692.91553	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	667.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16344	1.3
59.01385	100.0
61.51257	1.4
61.98830	7.7
63.68765	1.5
75.99818	1.4
79.34289	1.5
80.91687	9.9
90.93379	1.7
97.33862	1.6
100.94470	1.5
111.23553	1.6
116.23261	1.7
162.77203	1.9
193.62267	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	667.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75618	0.5
70.11864	0.6
71.01375	5.6
114.99609	1.0
115.00364	16.3
119.05022	21.6
121.02958	1.0
121.44919	0.6
127.47378	0.5
133.01430	100.0
163.04007	44.9
192.47336	0.6
217.55093	0.5
254.84003	0.6
279.05115	19.0
300.02597	0.9
304.17331	0.6
339.35873	0.5
595.12671	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	667.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
60.10139	1.2
72.79079	1.3
82.02987	2.7
84.78660	1.6
129.05533	6.1
138.09219	1.9
148.04037	25.2
150.05606	17.8
154.05051	1.7
160.04012	3.5
161.04817	57.8
162.05566	2.4
168.06673	8.1
173.03481	3.5
173.06027	7.2
174.04265	3.3
174.05574	1.9
175.05125	55.1
176.03516	6.3
176.05858	2.6
177.85182	1.3
190.07440	2.7
191.08246	1.9
192.02676	1.4
194.04601	30.6
197.11844	1.8
201.07901	7.9
201.09402	5.3
202.03821	7.8
202.08730	15.0
208.74707	1.5
211.07288	7.1
215.06194	2.0
215.08208	15.1
216.06625	5.6
216.10367	2.1
228.06662	2.3
229.07477	2.0
232.08450	13.5
233.07104	2.3
233.09331	46.1
241.09799	9.9
242.08170	3.5
242.10493	1.5
242.39102	1.3
243.09120	3.1
244.09845	87.3
245.06808	6.4
245.09283	13.2
246.07613	6.3
259.07227	1.7
259.10828	1.6
263.10342	2.1
269.12750	1.7
270.07605	1.9
285.08707	2.2
286.09604	3.4
287.07895	1.9
287.10492	19.6
288.08783	5.8
305.11383	12.4
313.11771	2.2
339.17169	2.1
362.18738	2.2
370.17731	2.4
371.11194	2.2
381.17239	1.5
404.15918	1.5
424.18665	2.1
428.14481	2.9
442.20004	2.4
454.19870	7.1
455.18250	7.2
472.21112	11.6
498.18478	1.9
500.16748	70.4
637.25098	24.9
649.25543	2.1
667.26239	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	667.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01384	100.0
61.04280	1.3
63.72806	1.4
68.50672	1.4
82.02996	1.6
90.61058	1.6
101.02438	1.9
109.43742	1.4
123.23866	1.5
129.05562	1.8
137.09720	2.3
140.60822	1.6
148.04057	13.4
150.05597	9.9
160.04068	1.9
161.04829	24.2
173.06119	1.7
174.04298	2.3
175.05101	21.2
176.03548	2.2
181.08669	6.6
191.08165	2.3
192.03047	2.0
194.04562	14.5
197.11821	74.1
201.07809	2.9
201.09430	2.0
202.03821	2.3
202.08740	8.2
216.06705	2.7
232.08502	7.2
233.09326	23.0
238.91043	1.8
241.10803	82.5
243.08896	3.2
244.09862	43.0
245.07077	4.4
245.09332	7.0
246.07709	3.2
263.12921	3.2
287.10410	6.0
305.11450	3.1
381.18011	1.9
458.50177	1.7
472.20935	6.8
492.83508	1.4
500.16718	33.4
507.95847	1.4
637.25378	12.1
667.26337	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	667.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92390	1.0
59.01385	100.0
60.90682	1.1
76.26791	1.3
80.67760	1.1
84.41853	1.2
89.11951	1.4
99.04515	36.3
104.88784	1.3
121.02908	1.6
127.66466	1.4
130.22969	1.3
135.00146	1.1
152.71011	1.4
226.73875	1.4
232.01242	1.6
264.29950	1.4
454.99164	1.3
465.21271	1.6
543.03540	1.7
584.38983	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	667.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78407	2.9
59.01389	100.0
70.77689	4.0
71.71270	3.8
74.35199	3.1
120.14419	3.7
169.76270	3.7
275.73004	3.7
335.44009	3.8
341.21429	4.6
518.07599	4.7
667.34143	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
72.29691	1.6
72.36923	1.7
100.14157	1.9
168.75394	2.0
219.92801	2.1
260.22983	1.8
414.36957	2.6
619.97296	2.4
641.75830	2.1
667.34631	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53456	0.8
57.15107	0.8
58.35519	0.9
59.01385	100.0
73.02959	1.0
82.57158	0.9
89.02440	1.1
92.19540	1.1
93.60683	0.8
101.02466	0.9
102.10611	1.1
121.02953	6.6
214.59503	0.9
230.87222	1.0
247.64215	1.1
277.14117	0.9
667.32959	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	667.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48300	0.9
50.66869	0.7
59.01385	0.9
59.57383	0.8
70.34227	0.8
71.01375	5.7
75.44720	0.8
77.18878	0.8
83.05028	1.8
83.48023	0.9
87.00874	13.9
105.01940	12.2
111.04504	1.3
113.85081	0.9
115.00375	4.3
119.05004	14.0
120.05347	4.7
121.06581	1.4
122.14725	0.9
123.08171	17.4
134.03728	23.0
137.09711	1.4
139.07716	1.6
145.10184	1.7
149.06117	7.2
153.09187	1.0
156.46965	1.0
163.04008	52.2
164.04361	11.7
165.04514	5.2
166.66086	1.0
171.11804	21.8
175.04008	1.4
178.02661	3.6
189.12872	9.6
193.05060	72.2
199.61192	0.9
201.12868	9.2
202.16171	1.1
207.13901	8.3
215.08098	1.3
219.13905	4.3
237.14960	25.3
279.04965	6.5
280.05362	1.2
281.06754	38.9
281.13934	100.0
522.91455	1.0
599.00671	1.0
667.26306	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	667.3462
Annotation	Myrtucommulone A
Peak:m/z	Relative Intensity
50.65949	0.2
54.30992	0.2
59.34186	0.3
62.36671	0.2
66.55484	0.3
77.49198	0.3
81.68904	0.3
82.79951	0.3
86.91096	0.3
178.67372	0.3
180.90210	0.3
200.62187	0.3
443.54846	0.3
452.06976	0.3
581.27216	1.3
667.34656	100.0
670.33704	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	667.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.5
63.93217	0.8
71.01379	22.5
72.71597	1.0
73.02937	5.1
83.01402	2.1
85.02939	11.0
87.00883	1.9
87.01978	1.1
88.98816	1.2
89.02448	18.0
95.01340	2.0
99.00861	1.5
99.04496	1.7
101.02447	25.8
111.00872	1.8
113.02435	13.2
116.92809	2.1
119.03462	5.0
133.05054	1.7
153.65721	1.1
291.93829	1.1
355.04309	1.3
359.27954	1.4
467.26364	1.2
505.34143	1.2
607.35150	1.8
667.39264	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	667.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08275	7.9
53.97780	6.0
54.73480	6.4
58.41029	6.3
59.01382	100.0
59.72183	6.1
63.32763	5.9
66.36294	6.1
71.01379	36.2
76.85309	6.4
89.02435	75.6
94.35054	6.4
101.02428	26.5
113.02440	15.8
119.03506	27.0
122.59177	7.8
162.34265	6.5
163.03867	7.5
164.87500	6.7
179.05644	45.0
316.73471	8.1
582.94391	7.7
681.55530	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	668.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
67.01885	1.3
71.01369	1.6
71.15270	0.4
76.68098	0.3
93.03453	8.9
94.56535	0.4
100.00006	0.4
102.71327	0.3
110.64822	0.3
111.00858	0.4
111.04529	2.6
123.04510	4.8
123.45953	0.4
125.02454	0.5
137.02451	4.4
147.52406	0.4
155.03522	4.0
167.03490	16.4
173.04543	100.0
176.00142	0.5
191.05666	2.6
292.81497	0.4
341.08795	51.0
410.30893	0.5
603.16876	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	668.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
67.01885	1.3
71.01369	1.6
71.15270	0.4
76.68098	0.3
93.03453	8.9
94.56535	0.4
100.00006	0.4
102.71327	0.3
110.64822	0.3
111.00858	0.4
111.04529	2.6
123.04510	4.8
123.45953	0.4
125.02454	0.5
137.02451	4.4
147.52406	0.4
155.03522	4.0
167.03490	16.4
173.04543	100.0
176.00142	0.5
191.05666	2.6
292.81497	0.4
341.08795	51.0
410.30893	0.5
603.16876	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	668.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34944	0.6
59.01383	100.0
60.06247	0.6
61.98825	1.0
62.24378	0.7
74.22021	0.6
74.23191	0.8
76.70876	0.8
81.24553	0.7
92.19394	1.2
102.58214	0.7
104.71125	0.7
106.41738	0.9
191.71915	0.7
192.10312	25.1
260.46564	0.8
321.67038	0.8
436.86838	0.7
490.25943	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	668.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34944	0.6
59.01383	100.0
60.06247	0.6
61.98825	1.0
62.24378	0.7
74.22021	0.6
74.23191	0.8
76.70876	0.8
81.24553	0.7
92.19394	1.2
102.58214	0.7
104.71125	0.7
106.41738	0.9
191.71915	0.7
192.10312	25.1
260.46564	0.8
321.67038	0.8
436.86838	0.7
490.25943	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	669.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57635	0.9
56.09224	0.9
59.64193	1.0
68.61559	1.1
78.98963	0.9
117.03447	1.8
119.05012	21.8
145.02950	100.0
161.04532	2.1
163.04008	22.8
167.07137	58.4
173.04465	1.2
175.06059	1.3
193.07225	1.8
196.80771	1.1
233.17831	1.0
329.12399	15.9
339.10840	78.1
430.52991	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	669.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41433	1.1
51.67204	1.0
53.65883	1.0
54.56667	0.9
59.01383	17.3
61.98838	2.6
71.01389	5.8
71.15244	1.1
72.55360	1.3
82.14380	0.9
83.01389	2.3
89.02439	5.1
92.19383	1.3
97.02942	2.6
101.02438	6.1
108.77423	1.2
109.02957	8.1
113.02431	2.4
119.03584	1.4
121.02981	2.2
122.03741	18.5
123.04531	9.6
124.01682	1.8
124.54163	1.2
125.02431	5.3
137.02441	19.7
139.04092	1.4
146.03674	1.2
146.95950	1.4
149.02409	7.9
151.03998	4.9
161.02435	1.5
161.06052	5.1
163.04103	1.2
164.01158	4.1
165.01930	58.8
167.03494	1.8
179.03455	9.2
203.07106	5.2
205.05081	15.8
231.02893	2.5
247.06087	9.5
252.15936	1.0
253.08763	1.5
257.15311	2.4
287.58755	1.2
288.44614	1.1
311.16373	1.7
349.14270	2.1
351.12344	2.1
375.05209	1.5
393.13632	2.6
419.22418	6.6
463.21289	20.2
489.19257	15.7
507.20233	100.0
562.30249	1.2
669.13544	2.4
669.26025	16.4
669.38141	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	669.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42153	0.6
59.01385	100.0
61.08005	0.8
63.22726	0.7
73.28468	0.8
92.19394	0.6
101.08810	0.7
231.20132	0.9
382.50879	0.8
387.43039	0.8
580.76202	0.8
608.56421	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	669.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
66.34615	0.7
66.39420	0.7
67.42806	0.7
68.24385	0.7
71.50747	0.8
75.00858	1.0
82.97223	0.7
99.56353	0.8
109.10310	0.8
115.35892	0.9
117.24712	0.8
118.53923	0.8
118.76363	0.7
121.13350	1.0
150.06851	20.3
161.39772	0.8
164.08453	2.0
179.10765	16.3
325.20099	0.9
327.21774	13.4
489.32239	4.0
506.32568	3.9
507.20660	1.5
507.33295	14.2
521.35217	1.1
669.38672	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39148	0.7
57.83994	1.0
59.01386	100.0
62.45820	0.7
64.62010	0.8
69.02396	0.7
70.18892	0.9
78.87523	0.8
99.32423	0.9
121.02947	1.8
168.79515	0.9
215.85648	0.8
233.36707	1.0
259.60715	0.8
496.89319	0.9
549.23779	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	669.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34409	0.9
51.59652	0.9
57.46936	1.0
58.26540	1.0
59.01384	100.0
61.98831	1.8
63.32999	1.0
71.01376	7.0
73.02934	1.2
75.00873	1.8
79.33024	1.2
85.02959	5.0
88.98804	1.4
89.02432	2.0
99.00913	1.4
101.02453	5.8
113.02441	2.7
116.92876	8.3
119.03480	1.3
123.04511	5.5
125.02456	1.2
137.02441	1.9
149.09767	3.9
151.06056	1.2
151.07571	1.1
153.05595	1.8
165.01927	4.8
167.07088	1.1
177.02008	1.1
205.05157	1.4
215.64084	1.3
231.07001	1.3
255.12495	1.5
309.15076	10.8
313.23862	1.9
327.16052	1.6
337.23886	5.8
355.24963	10.6
369.17050	5.9
373.12894	4.7
373.25931	25.8
387.18036	1.5
427.47327	1.2
451.74069	1.2
507.20187	4.6
609.36530	5.5
669.22656	1.9
669.25311	2.3
669.37390	37.4
676.82263	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	669.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.5
87.56984	1.2
99.04517	100.0
104.22198	1.3
121.02954	9.1
137.85025	1.2
139.87053	1.3
147.15424	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	669.3865
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
59.01384	100.0
71.01389	4.3
72.87991	0.9
73.02934	1.2
75.00856	1.1
88.98801	4.4
97.06607	1.5
101.02441	5.1
113.02431	2.4
116.92886	1.1
123.04546	5.4
139.04033	1.2
150.06857	32.7
153.05623	5.0
161.04585	1.0
162.37044	0.9
164.08429	3.7
165.01917	1.8
179.10789	24.7
309.20874	1.6
327.21814	19.5
327.25345	1.2
463.30771	1.1
489.32495	5.4
492.31189	1.6
506.32761	5.9
507.20969	1.8
507.33334	21.7
513.99377	1.1
609.36932	6.1
669.38898	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.7
64.10217	0.6
64.57686	0.6
65.70607	0.6
71.01375	0.8
82.94209	0.7
89.02437	0.9
91.51872	0.6
92.19373	0.8
95.59953	0.6
101.02436	1.3
127.33192	0.6
145.02901	0.8
169.98708	0.7
191.62152	0.7
200.78255	0.7
209.11845	4.9
223.13383	4.0
232.19986	0.9
237.14951	25.8
253.26048	0.7
447.31177	100.0
461.32907	4.6
489.32401	1.0
495.53458	0.8
609.36548	7.2
669.39075	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	669.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83749	2.1
56.04548	1.9
59.01389	100.0
61.60284	2.2
62.41856	2.3
71.01399	3.1
74.94408	2.3
76.00578	2.3
77.98058	2.3
80.76647	2.2
84.00314	2.2
89.02448	9.4
95.39526	2.2
101.02478	3.0
113.02434	2.6
123.52427	2.6
147.47624	2.3
456.98901	2.9
511.80984	2.6
518.96881	2.4
609.44061	12.7
669.46124	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	670.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.1
59.50064	3.1
61.98840	3.0
65.58805	2.9
82.95426	6.2
83.02511	50.2
84.00910	100.0
84.02039	12.6
84.02830	4.0
92.20055	8.7
121.02988	24.9
125.02418	3.3
185.08904	2.7
278.18973	2.7
318.48630	3.0
343.15518	3.5
436.18652	2.9
483.92865	2.9
527.31592	2.9
528.42407	3.0
543.22314	4.1
661.01257	3.2
670.39276	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	670.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98840	2.4
65.28387	1.5
76.31214	1.5
83.52354	1.6
91.34122	2.0
149.63626	1.6
163.03902	3.1
205.38521	1.7
223.13457	2.0
349.66501	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	670.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.73674	0.4
60.57432	0.4
61.98835	6.4
65.59617	0.4
75.00886	0.9
89.02451	0.4
89.77485	0.4
101.02399	0.5
113.02364	0.4
151.76637	0.4
190.08836	0.6
208.09808	0.8
509.12253	0.5
541.80457	0.5
670.39813	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	670.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.25008	0.6
94.67113	0.6
94.97373	0.7
191.56335	0.7
208.09766	1.4
484.41550	0.7
536.22876	0.7
610.37079	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	671.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65990	0.4
59.01377	0.7
67.64692	0.4
69.13624	0.4
71.01369	2.5
73.02946	0.4
80.22308	0.4
85.02966	1.0
87.00868	0.5
101.02441	2.4
113.02433	2.2
121.02987	0.5
122.03735	19.6
123.04510	5.2
126.56754	0.4
133.02962	2.3
135.04536	11.0
147.04482	0.6
161.02440	100.0
161.04597	3.9
165.05560	2.1
177.05609	0.9
179.03502	8.5
179.05614	5.7
188.64302	0.4
211.00189	0.4
269.15561	0.4
295.10281	0.6
329.08820	13.3
341.08792	68.3
420.91043	0.4
465.15295	0.4
465.38995	0.4
490.87061	0.4
610.25549	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	671.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05003	1.0
63.46259	1.2
65.36143	1.1
71.01373	1.4
72.41075	1.0
77.21678	1.2
81.03543	1.1
82.14166	1.1
82.68686	1.2
93.03439	8.9
98.35946	1.1
111.04480	2.3
123.04506	7.5
125.02462	2.3
137.02426	2.5
155.03500	5.0
167.03494	31.3
172.05373	1.2
173.04544	100.0
179.03421	1.6
191.05621	9.1
209.04552	35.7
215.94296	1.2
218.20818	1.3
221.04518	1.3
239.05588	7.6
250.83987	1.3
329.08859	13.7
341.08765	55.8
341.53778	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	671.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05003	1.0
63.46259	1.2
65.36143	1.1
71.01373	1.4
72.41075	1.0
77.21678	1.2
81.03543	1.1
82.14166	1.1
82.68686	1.2
93.03439	8.9
98.35946	1.1
111.04480	2.3
123.04506	7.5
125.02462	2.3
137.02426	2.5
155.03500	5.0
167.03494	31.3
172.05373	1.2
173.04544	100.0
179.03421	1.6
191.05621	9.1
209.04552	35.7
215.94296	1.2
218.20818	1.3
221.04518	1.3
239.05588	7.6
250.83987	1.3
329.08859	13.7
341.08765	55.8
341.53778	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	671.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24167	1.2
59.01380	2.1
63.06611	1.2
71.01378	2.1
83.35739	1.2
87.00870	2.3
88.55496	1.6
89.02409	3.1
101.02424	2.0
113.02431	1.6
135.04498	18.2
160.36490	1.4
161.02435	100.0
179.03479	20.2
193.07156	2.2
329.08249	1.4
355.10324	92.3
394.42789	1.6
492.72205	1.3
671.25861	3.2
682.70654	1.6
698.94006	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	671.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80310	59.2
54.07248	74.8
56.43622	58.3
65.74838	65.5
110.03566	69.3
118.63100	66.7
146.28436	74.3
158.18385	66.9
162.49341	85.9
288.58569	69.6
325.37695	80.6
602.12158	79.2
627.20294	100.0
643.63306	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	55.0
75.46521	41.4
75.98697	42.6
92.20179	100.0
102.40357	53.1
121.02960	52.9
130.09506	52.9
136.32156	50.4
203.26025	47.6
211.81847	50.5
360.86606	54.8
388.51965	51.0
531.89899	53.8
646.61603	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	78.5
66.64735	4.1
71.01392	23.4
75.13563	4.1
75.21790	4.2
83.01330	4.1
85.02968	5.5
89.02441	32.1
93.03447	8.0
101.02451	22.8
108.61208	4.9
113.02432	10.1
116.92898	6.0
148.04060	24.2
150.05582	6.4
154.04956	5.8
161.04837	48.5
165.01936	6.7
173.04565	30.3
175.05122	45.1
176.05881	6.4
179.05583	7.6
191.05676	36.2
203.04626	26.5
232.08577	11.0
233.09325	48.1
244.09822	68.1
286.09497	5.1
287.10544	6.8
395.38092	5.7
468.17700	55.5
472.20959	6.5
551.25031	25.0
605.26196	26.8
611.27142	21.2
635.27289	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	671.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90225	1.0
64.35551	1.1
69.11401	1.2
79.99541	1.2
89.16799	1.1
91.48512	1.4
92.19437	2.5
100.30522	1.3
114.92505	1.3
158.53476	1.3
295.94424	1.3
320.56549	1.2
346.52026	1.4
382.07678	1.2
402.91623	1.5
559.20349	1.6
671.26843	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	671.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19128	1.3
51.74949	1.3
72.69017	1.5
74.56336	1.5
75.58911	1.3
86.42248	1.4
86.66992	1.4
92.20097	3.7
159.84396	1.5
202.02959	1.5
203.02283	1.7
224.49290	1.8
297.40457	1.6
298.96732	1.5
671.26898	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	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76294	1.0
59.01379	31.8
68.92966	1.3
71.01379	9.4
73.36911	1.2
81.52392	1.1
85.02960	1.2
89.02419	9.6
92.43035	1.2
93.79403	1.2
94.96809	1.3
101.02434	10.2
109.02943	7.2
113.02444	6.3
119.03482	2.2
121.02956	1.3
122.03718	2.2
122.80015	1.5
123.04472	13.2
125.02456	2.5
137.02431	4.8
139.04041	1.7
151.03996	6.2
161.02429	16.7
163.03990	14.7
165.01907	2.8
165.05537	1.2
177.02048	1.5
179.03452	1.7
191.05518	2.1
197.63994	1.2
203.03539	13.4
205.05087	6.6
254.58444	1.4
263.61438	1.4
327.08774	2.9
329.17688	5.0
345.16605	1.7
357.17065	1.4
367.15421	4.8
385.16483	7.4
454.44827	1.5
491.20792	1.8
497.10745	2.2
509.22049	1.4
519.22552	4.7
608.99493	1.5
671.27209	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	671.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
62.94273	0.6
64.58070	0.6
71.01381	1.6
85.02986	1.0
92.19465	0.8
99.77795	0.7
101.02446	1.5
123.04507	1.3
125.02443	1.2
136.81664	0.7
190.06369	58.0
205.08713	100.0
249.07690	49.6
259.05566	0.7
322.03568	0.7
333.79114	0.7
358.82654	0.8
385.68561	0.7
421.20728	10.1
532.18732	0.7
646.69330	0.9
671.23389	4.4
703.33923	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	671.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19516	0.9
59.01386	100.0
66.27572	1.0
72.32020	0.9
116.92844	2.1
121.02946	6.9
125.02405	1.2
128.96353	0.9
148.64287	1.0
180.07419	0.8
191.05589	1.2
200.83736	0.9
305.34814	1.0
354.35016	1.0
486.71707	1.2
503.18875	1.1
671.27448	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	671.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58635	0.8
56.10135	0.9
56.46496	0.9
59.01385	100.0
62.74210	1.0
63.54218	0.9
66.57555	0.9
71.01364	1.4
89.02438	2.6
92.08307	1.0
92.20036	1.3
100.39603	1.2
101.02428	2.3
102.49742	1.0
109.02972	1.4
110.75854	1.0
113.02440	2.6
122.03783	1.2
123.04520	3.8
125.02442	1.0
135.04430	1.3
137.02428	1.8
151.03949	2.1
161.02470	2.2
165.01917	5.2
173.04596	1.1
191.05533	2.1
201.11330	1.4
203.03477	4.8
205.05103	1.2
231.75713	1.0
335.87012	1.1
367.15329	2.5
407.34299	1.3
491.20865	1.5
509.23294	1.4
517.62469	1.2
569.25525	1.6
600.59540	1.0
671.26904	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	671.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47280	1.3
51.51894	1.2
58.37622	1.5
59.01386	100.0
64.01797	1.4
71.01389	15.5
74.14888	1.8
85.02972	2.1
89.02440	19.4
95.01403	2.2
101.02419	9.8
113.02454	8.8
119.03493	3.2
123.04478	2.0
148.04066	2.1
151.03972	1.7
161.02477	1.6
161.04706	6.9
175.05171	3.0
179.05611	6.7
191.05612	7.1
216.06667	1.6
233.09349	3.0
244.09697	7.5
283.16962	2.8
286.09439	1.8
311.16501	8.7
329.17496	2.5
371.18494	7.9
431.20621	30.8
468.17694	3.7
482.73087	1.5
509.17737	1.8
551.25269	2.2
605.26807	2.6
635.27240	9.3
671.27393	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	671.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98821	7.5
73.02921	4.7
92.20058	8.8
101.02415	5.7
110.36382	4.9
141.61397	5.4
193.84822	4.4
197.75850	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	671.402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18451	0.6
56.02673	0.5
59.01377	4.7
61.91105	0.5
61.98823	0.7
64.73657	0.5
71.01374	1.2
74.16254	0.6
77.98049	0.6
88.98815	1.1
119.98681	0.7
125.02405	0.7
148.01111	0.6
150.06856	49.5
161.09647	0.7
163.07613	1.0
164.01140	1.0
164.08405	8.1
179.10782	44.2
201.53871	0.7
275.86871	0.9
276.85892	0.6
311.22238	2.5
327.21811	1.5
327.25586	1.3
329.23337	35.4
402.84567	0.7
473.32632	1.1
491.34097	8.5
494.32590	5.1
508.34106	12.5
509.34885	35.0
509.42389	1.2
671.40198	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	671.4038
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01384	61.2
60.01712	5.2
61.01791	2.2
72.75437	1.0
75.00848	1.0
75.16647	1.0
76.66039	1.0
86.34814	1.2
92.19508	1.8
93.22780	1.2
122.03680	1.1
139.04007	1.3
150.06865	53.1
153.05573	1.5
164.08388	4.8
171.69249	1.3
179.10776	39.3
224.06433	1.6
284.68332	1.1
327.12198	1.2
329.23364	40.2
343.15421	1.8
356.49982	1.2
460.08813	1.4
476.31122	1.6
491.33923	11.9
494.32455	5.4
508.34189	11.9
509.34879	36.0
633.10962	1.2
671.40289	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	671.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92002	1.3
59.01384	94.5
61.98838	1.6
65.83077	1.5
71.01383	35.8
73.02981	1.8
85.02939	7.8
86.29321	1.3
88.98820	1.6
89.02444	62.1
92.20151	2.7
101.02439	28.0
113.02444	20.8
118.00163	1.3
119.03500	19.6
121.02927	2.7
125.02473	1.7
131.03476	1.8
143.03467	2.4
147.04614	1.4
161.04576	6.3
162.07898	1.6
179.05626	14.8
449.32971	1.8
611.38068	100.0
671.40973	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	672.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80733	0.9
64.16353	0.8
75.70760	0.9
78.03309	0.8
92.19350	1.4
93.73307	0.8
95.50566	0.8
123.96774	0.9
125.02462	0.9
137.13934	1.0
151.00356	7.2
178.99829	4.9
179.25975	0.9
250.70389	0.9
251.43031	1.0
252.13626	1.0
255.02980	4.7
271.02481	8.5
271.04941	1.1
300.02756	100.0
301.03525	32.6
444.96362	0.9
609.14691	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.3
61.98837	100.0
77.17347	0.5
82.10406	0.5
125.02429	0.6
426.40274	0.6
434.66269	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	672.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93315	0.8
59.01388	44.1
60.01711	4.9
61.01807	4.7
61.98838	100.0
84.00908	1.6
89.11151	1.1
98.07855	1.2
128.71681	1.0
146.98328	0.9
150.06842	4.1
151.22614	1.0
159.07225	0.9
179.10762	1.8
180.11066	1.1
190.24722	1.1
195.43787	1.1
246.64098	1.3
329.23328	1.8
330.23691	1.7
345.56720	1.1
509.34424	1.4
510.35193	2.0
627.75024	1.1
641.61615	1.2
672.40686	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	672.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57159	1.4
59.01385	13.5
61.98610	1.4
61.98845	22.7
116.50116	1.9
121.02953	100.0
127.31262	1.9
165.09225	2.3
188.17204	2.1
189.34390	1.8
199.44069	1.9
201.87265	1.8
226.89316	1.9
438.58603	2.0
487.71982	2.2
587.25140	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
61.98845	100.0
65.08282	8.7
99.82503	8.1
121.02972	71.2
127.19438	9.5
379.64676	9.6
437.24368	10.3
457.51047	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	673.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36750	1.5
59.01371	14.6
62.89612	2.4
71.01380	54.8
73.02950	19.8
83.01398	4.4
85.02953	29.2
89.02463	3.4
92.19366	2.0
95.01384	3.9
96.96001	4.7
99.00840	2.9
101.02445	30.1
103.64825	2.0
113.02442	26.8
121.02922	7.8
122.03741	64.0
125.02469	3.3
136.05280	16.9
137.06085	100.0
143.03514	2.1
157.17868	2.0
159.03008	4.5
161.04559	70.8
163.04042	2.5
167.03479	12.4
173.87956	2.1
181.05122	16.9
181.06558	1.7
209.04489	8.2
233.59773	2.0
308.59686	2.0
325.18430	2.2
329.08817	29.7
343.10345	27.5
460.46869	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	673.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92570	0.3
55.12600	0.4
55.56325	0.4
59.01384	2.0
82.92920	0.6
89.02454	0.8
92.20078	0.4
121.02951	100.0
121.10229	0.9
131.08665	0.5
193.08780	0.5
225.12819	2.1
302.91653	0.5
370.40369	0.5
423.16779	2.4
465.17633	6.1
573.13812	0.5
603.24792	2.2
673.24890	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	673.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27687	0.7
51.67422	0.7
51.90545	0.7
56.73172	0.8
58.33625	0.7
59.01400	1.2
61.98840	11.5
77.05449	0.9
78.28156	1.0
89.02419	1.1
119.26991	0.9
121.02957	100.0
133.08583	0.9
139.13722	0.9
182.57217	0.8
193.08798	1.0
225.12877	1.3
230.13132	1.0
378.98471	1.1
465.17703	8.3
603.23962	1.0
647.64581	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	673.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46793	0.7
64.96534	0.7
80.08107	0.7
82.54408	0.7
89.02435	0.7
92.19435	2.1
97.60918	0.8
121.02950	100.0
162.06487	0.8
404.40927	1.0
484.76108	0.8
491.19330	2.9
509.20114	1.0
551.21350	9.5
624.32617	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	673.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10181	44.1
59.87037	49.9
92.20150	100.0
145.46634	54.5
174.05222	57.3
206.52287	60.0
468.94171	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03496	0.8
50.67835	0.6
53.54494	0.8
57.38315	0.6
59.01384	100.0
61.18330	0.7
65.68172	0.7
73.77254	0.7
75.59568	0.7
83.42086	0.7
83.93157	0.8
85.92036	0.7
99.12034	0.8
99.16461	0.7
103.05763	0.8
121.02911	6.7
171.10298	3.5
223.13365	1.5
229.69260	0.9
251.75078	0.8
303.27356	0.7
304.88815	0.7
316.61639	0.9
326.87860	0.8
529.24670	1.4
571.25494	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	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48961	0.8
59.01383	100.0
65.69069	0.8
69.11179	0.7
82.46817	0.8
87.61966	0.8
92.19363	1.6
110.85715	0.8
121.02945	37.2
320.64975	0.9
348.66882	1.0
571.12012	0.8
612.86615	1.0
661.84375	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	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71088	2.1
58.54520	2.0
59.01104	4.0
59.01387	100.0
85.78857	2.3
99.04469	2.1
103.04001	9.2
110.51115	2.5
113.57133	2.5
114.95703	2.4
121.02949	95.4
159.35014	2.8
231.61269	2.3
389.93671	2.5
501.47754	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	673.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72704	1.4
51.21689	1.4
51.86848	1.5
59.01100	3.6
59.01385	100.0
63.15160	1.7
69.40670	1.6
69.45781	1.8
81.85920	1.8
93.31544	1.4
112.13395	1.8
121.02928	9.1
146.72231	1.8
329.17557	4.4
571.25372	2.1
588.37689	1.8
668.07227	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	673.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34296	3.8
53.49634	4.0
54.99493	3.7
56.06685	4.2
59.01384	22.5
61.98835	4.7
97.04723	4.3
108.05701	5.2
113.08486	4.2
121.97153	4.3
125.75697	4.1
152.99623	7.8
181.54489	5.6
184.46979	4.3
195.40704	4.4
196.91550	4.5
211.13451	5.3
223.13541	5.8
228.56799	4.5
255.23444	6.8
311.16382	5.6
329.17657	8.8
398.13788	4.8
443.44629	5.1
466.26645	4.8
673.29791	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	673.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.39355	1.4
64.80389	1.3
71.01379	28.1
73.02943	2.0
81.17140	1.7
83.01437	1.7
85.02943	7.3
89.02438	45.9
101.02437	18.5
113.02439	19.2
115.36150	2.1
116.92834	7.6
119.03521	10.5
125.02431	2.3
131.03502	1.7
161.04549	3.8
179.05598	14.2
179.10764	12.3
191.05585	19.4
192.10321	3.4
193.10695	1.8
245.44342	1.7
283.80899	1.5
313.18127	6.7
331.19125	3.3
364.85870	1.9
493.24454	26.5
511.25211	1.6
553.26691	32.9
571.28107	1.9
613.28711	22.7
631.29462	6.5
673.31598	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	673.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04782	1.0
59.01385	100.0
65.92834	1.1
66.88783	1.1
71.01379	15.7
71.95197	1.3
72.86497	1.6
78.90168	1.1
82.55545	1.1
83.01438	1.7
85.02943	5.4
85.21039	1.1
86.49358	1.2
87.00867	1.8
89.02440	29.2
95.01381	1.6
95.26790	1.2
101.02455	11.7
113.02452	9.3
119.03503	8.2
123.04519	1.3
143.03494	1.6
159.88255	1.3
161.04520	4.8
165.01949	2.3
179.05627	10.8
191.05829	1.4
233.84145	1.2
264.57245	1.4
269.85248	1.2
331.19226	1.9
391.21384	13.8
442.58051	1.3
493.24359	20.2
511.24615	1.7
553.26624	18.8
613.28754	18.3
673.29425	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	673.3396
Annotation	Gypsin B
Peak:m/z	Relative Intensity
52.55610	1.6
56.44116	2.0
68.51755	2.2
70.01678	2.2
209.08173	12.6
231.10136	9.9
283.62466	2.3
301.18115	50.4
313.14435	3.2
322.11920	2.9
327.16382	3.7
328.16882	11.1
329.17603	100.0
345.16891	3.1
553.61865	2.4
633.01495	2.4
645.34772	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	673.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85147	0.2
56.47578	0.2
59.51745	0.2
61.76706	0.2
120.50000	0.2
121.54941	0.2
123.24770	0.2
142.37640	0.2
198.70647	0.2
203.10847	0.3
215.10771	0.4
217.08780	0.3
231.10185	0.2
243.10295	0.4
258.12610	3.3
271.13361	0.2
285.15057	1.3
286.15707	1.7
301.18115	100.0
302.11584	0.3
313.14572	0.3
313.18222	0.3
315.16016	0.3
322.15176	0.2
327.16052	1.2
328.16599	1.0
329.17651	3.4
345.17090	5.7
431.50266	0.3
673.33789	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	673.3394
Annotation	Gypsin B
Peak:m/z	Relative Intensity
50.76127	0.9
51.53547	0.8
51.88813	0.9
52.52804	0.9
53.34830	1.1
53.71490	0.9
56.03428	1.0
57.23105	1.0
69.30724	1.3
74.40632	1.1
95.11314	1.3
102.65190	1.1
110.63066	1.2
113.75607	1.1
132.54579	1.2
231.10263	2.3
301.18243	11.1
328.16827	5.8
329.17609	100.0
345.17267	2.1
383.22372	5.4
645.33643	4.6
673.34216	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	674.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41395	0.4
57.69399	0.5
61.98835	100.0
69.48289	0.5
93.00336	0.5
116.40166	0.6
119.35992	0.5
131.91422	0.5
133.24149	0.5
204.94966	0.5
655.84778	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	674.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37206	13.3
54.70598	13.8
60.49066	13.0
61.58785	15.4
61.98837	100.0
86.12253	15.4
87.00883	67.8
88.00400	63.2
161.24599	14.5
172.66904	17.3
209.16028	17.6
403.81934	15.5
489.65128	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	674.9939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82334	0.7
53.96244	0.8
59.01382	17.6
148.76132	1.0
151.88614	0.9
167.15305	0.9
174.99248	15.9
201.02571	5.3
217.00299	100.0
223.30051	1.0
359.01398	5.7
374.94397	1.2
374.99185	30.2
517.00378	4.4
532.98193	25.3
674.99091	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	675.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28725	0.9
55.97398	0.9
57.03435	2.5
57.65868	0.8
58.02964	1.8
59.01385	1.3
60.72781	0.8
64.37751	0.9
70.02971	2.0
74.02470	14.5
80.11858	0.9
83.01381	1.3
89.83444	1.0
95.05000	1.6
96.95954	1.3
97.02913	1.5
98.02448	4.0
109.02956	12.1
112.80747	1.1
116.03539	7.3
116.05067	4.2
123.04515	8.2
125.02441	100.0
135.08000	1.0
137.01610	1.1
137.02458	18.5
139.04025	1.4
149.02422	2.1
151.03978	8.2
161.02425	18.1
161.06059	4.3
162.03183	2.1
163.00305	1.3
163.04013	2.1
164.01030	1.4
165.01918	8.2
175.04010	8.9
177.01865	2.2
179.03465	6.7
179.07124	20.3
187.03978	4.4
188.04796	4.2
191.05588	1.2
201.10321	1.2
202.06233	2.0
203.03438	1.3
203.08542	19.8
205.01306	1.8
205.05103	12.0
217.08524	1.5
219.06625	7.1
221.08186	1.2
223.09795	14.9
227.07072	4.0
229.04854	1.3
231.06442	1.9
245.04498	1.4
245.05493	1.6
245.09566	35.0
247.05824	1.1
262.08456	4.1
281.04510	1.6
285.03900	1.8
289.07190	37.5
297.03970	1.2
299.05496	2.4
327.12082	1.3
339.08820	2.4
343.11792	1.3
371.11334	4.4
376.55859	1.2
385.12949	20.5
407.07797	13.2
421.36420	1.2
451.10553	7.7
461.12085	5.6
505.14938	9.2
523.16089	42.0
675.20795	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
61.05894	0.3
66.51974	0.4
71.01372	3.8
87.00878	0.4
89.02424	7.2
93.03451	30.2
101.02448	2.2
102.22812	0.4
113.02491	2.8
117.03396	0.3
119.03504	3.4
137.02446	100.0
143.03549	0.5
145.02980	3.4
147.04494	0.6
161.02434	1.5
161.04445	1.3
161.59996	0.3
162.03194	5.1
165.05563	2.0
177.05568	1.8
178.72200	0.4
179.05615	8.0
180.04283	0.7
195.06638	2.5
212.07016	0.4
231.18237	0.4
299.07739	11.5
357.11923	9.3
375.13031	4.3
463.81085	0.5
516.88086	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	675.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
59.20091	0.3
70.72858	0.3
71.01374	2.9
71.48666	0.3
73.02916	0.5
74.56225	0.3
80.62260	0.3
85.02971	0.5
85.25744	0.3
87.00877	0.4
89.02450	6.2
93.03455	32.6
99.06791	0.4
101.02444	2.6
113.02439	1.6
119.03512	2.6
121.02957	0.4
122.03728	1.3
126.72505	0.3
131.48950	0.3
137.02448	100.0
145.02933	3.6
147.04527	0.5
148.39247	0.3
152.04596	0.3
161.02437	1.6
161.04541	0.5
162.03226	4.9
163.07458	0.3
177.05536	1.6
177.12086	0.3
179.05638	4.2
195.06647	1.5
299.07751	13.7
329.08633	0.5
357.11902	5.4
375.13031	7.5
426.19339	0.3
684.76923	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	675.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06621	0.4
58.08163	0.4
65.48238	0.4
71.25844	0.4
73.02961	0.5
93.03450	32.0
101.02463	0.5
103.41754	0.4
137.02443	100.0
143.45378	0.5
149.02438	0.6
150.03192	4.2
164.04774	3.6
165.05576	19.3
180.04372	0.5
187.79584	0.5
195.06624	6.3
263.32654	0.5
299.07755	11.6
327.10907	7.6
357.11935	2.5
459.20920	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	675.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33131	1.1
59.01384	2.5
59.50105	1.0
60.99314	13.2
87.00867	5.4
88.00389	8.9
88.98807	100.0
89.02442	50.8
113.28968	1.3
121.02962	8.6
181.05165	1.3
438.85831	1.4
615.27386	1.6
623.40015	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	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32318	7.0
56.80917	6.0
59.01382	43.5
64.20446	7.3
66.39664	7.1
70.73314	6.7
87.24976	7.8
88.98788	27.5
89.02419	13.5
104.78455	8.6
114.79636	7.7
121.02959	100.0
149.06174	7.8
167.07149	10.2
254.39439	8.1
294.50046	8.2
325.14282	12.4
398.46088	9.6
493.21173	37.9
535.21826	16.3
591.28442	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	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51429	0.5
56.08657	0.6
59.76239	0.6
62.17366	0.6
72.14749	0.6
81.03463	1.4
83.01402	0.8
95.05022	1.0
96.96013	1.1
97.02929	4.5
97.06583	1.1
107.18456	0.5
109.02953	18.6
121.02934	1.2
122.03757	0.7
123.04518	8.9
125.02444	17.2
135.04517	2.4
137.02420	8.3
139.04030	3.0
149.02402	3.9
151.04007	9.1
161.06061	4.2
162.03246	1.5
164.01140	3.1
165.01955	5.5
167.03481	2.5
173.06116	0.6
175.04031	2.6
179.03532	9.4
185.05983	0.8
187.04019	4.5
188.04758	4.3
199.45432	0.6
202.06395	2.9
203.07161	21.0
205.05080	11.0
217.08742	0.7
221.08215	3.7
227.07118	3.4
230.05923	1.0
243.73541	0.7
245.08205	20.5
246.31638	0.6
247.06073	1.3
271.06113	0.7
289.07202	100.0
289.16516	2.8
340.57074	0.6
574.71332	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	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.2
60.07885	1.1
64.33892	1.4
80.93388	1.3
88.33284	1.3
92.20116	1.8
121.02950	100.0
152.12994	1.3
161.03146	1.4
185.07791	1.5
202.57643	1.4
227.45779	1.4
230.61127	1.7
277.29980	1.4
371.20416	1.7
587.25067	48.2
646.78003	1.7
656.88354	1.6
688.59552	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	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58739	0.6
56.90712	0.6
59.01380	11.1
62.17612	0.7
66.48933	0.7
71.01391	5.2
81.76815	0.6
89.02444	10.1
101.02413	0.9
110.52676	0.6
113.02448	0.8
121.02953	100.0
128.70319	0.8
131.03528	0.7
144.62073	0.9
144.97643	0.7
149.04553	1.6
156.32144	0.7
161.10985	0.6
174.54948	0.6
239.10777	1.1
257.11801	1.2
317.13928	3.8
335.94601	0.6
388.67813	0.7
407.16675	0.8
435.16739	2.9
440.69696	0.7
449.18314	8.3
456.49411	0.7
477.17877	0.8
495.18762	11.3
511.21661	0.9
553.22760	4.4
675.26740	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09946	12.0
57.70774	11.8
59.01381	52.5
115.65133	12.9
120.96946	14.5
121.02972	100.0
121.86842	13.1
136.03922	14.3
151.62781	14.4
617.52661	14.5
630.18726	15.5
675.26532	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	675.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66263	0.9
57.03465	1.3
58.02967	3.9
59.01376	4.5
67.01875	0.8
70.02985	10.4
70.60483	0.7
71.01404	1.1
71.02842	0.9
72.04541	1.2
74.02473	34.4
78.84974	0.8
81.03486	1.0
83.01407	0.9
89.02442	0.9
96.95999	2.1
97.02930	1.7
97.68826	0.9
98.02452	7.2
109.02972	8.0
116.03539	21.2
116.05047	9.1
123.04506	5.8
125.02436	92.8
137.02437	12.8
139.03992	1.4
142.06604	1.0
149.02420	4.3
151.03993	9.4
152.55650	0.9
159.04446	1.0
159.09222	1.2
161.02452	15.4
161.06081	1.4
162.03168	1.5
163.00380	1.1
163.03946	1.5
164.01170	1.5
165.01895	7.0
167.03442	1.3
175.03983	6.0
177.01929	2.1
177.05533	1.2
179.03506	5.2
179.07144	19.5
184.18053	0.9
187.03976	5.6
188.04765	1.4
201.10339	6.0
202.06345	1.3
203.08382	65.3
205.01512	1.1
205.05066	10.2
215.03470	1.3
217.04993	1.6
219.06564	5.3
221.62032	0.9
223.09766	11.8
229.05013	2.2
231.03027	1.2
231.06499	1.2
245.09404	100.0
255.02969	1.6
256.03592	1.1
262.08359	3.5
271.05899	1.1
273.11304	1.0
281.04462	1.9
287.05774	1.2
289.07190	38.6
297.07840	1.3
299.05664	3.3
339.08752	5.0
341.06683	0.9
371.11423	1.5
385.12888	21.3
407.07684	12.0
451.10260	9.5
461.12430	6.0
505.15182	12.4
513.26050	1.1
523.16083	47.3
675.20825	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2804
Annotation	Henriol D
Peak:m/z	Relative Intensity
54.15100	8.2
59.01370	12.2
68.71407	7.4
83.52187	8.2
90.72586	7.6
106.31343	7.7
114.50773	9.3
117.98901	10.0
121.02969	16.6
211.13535	12.4
343.15524	8.1
669.93170	10.4
675.28088	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	675.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10888	3.2
57.75562	3.1
59.01387	5.7
61.98845	5.0
71.01394	4.9
92.19452	8.1
101.02496	4.2
121.02939	22.6
125.02452	3.4
152.07159	3.6
155.10748	4.3
165.01903	3.9
167.03427	4.4
220.41130	3.9
675.32117	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	675.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38206	1.0
70.31928	1.1
92.19458	1.7
97.06580	2.6
109.64681	1.3
119.04939	1.2
121.06599	19.5
124.96758	1.1
131.46829	1.3
139.07668	1.8
147.08134	1.3
154.42735	1.4
158.88417	1.2
163.11342	1.7
191.10837	1.4
191.14470	1.6
201.12906	2.3
203.10802	4.1
217.12256	1.7
219.11746	1.9
219.13911	94.9
235.13412	5.8
237.15004	14.1
263.12888	100.0
384.16229	1.3
668.41699	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	675.3549
Annotation	Dianthin C
Peak:m/z	Relative Intensity
59.01374	3.6
80.70840	0.6
113.57404	0.7
125.06063	2.5
131.97723	0.6
167.07181	3.1
189.05608	3.4
193.08672	1.5
213.95415	0.6
231.10254	9.3
258.12506	1.3
268.14691	6.8
283.16818	0.7
285.18582	21.4
286.12106	22.2
301.18112	15.3
305.74222	0.8
313.14334	4.1
327.16235	1.0
328.16797	10.5
329.17590	100.0
347.14981	1.3
347.18640	5.1
377.51437	0.6
675.34497	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	675.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57993	1.8
70.01956	1.6
80.83662	1.5
96.08532	1.5
125.06088	3.0
166.10788	1.9
167.07092	2.1
193.08769	2.1
222.33505	1.6
231.10187	9.2
285.18570	2.5
286.12146	7.6
301.18103	3.0
313.14258	2.5
328.16779	18.6
328.22919	1.7
329.17596	100.0
347.14890	2.6
347.18674	6.2
678.51453	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	675.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	2.1
59.01386	41.8
59.38489	0.8
59.60039	0.9
71.01382	25.1
72.99264	1.0
73.02953	5.6
81.13666	1.1
83.01383	2.1
85.02939	5.0
87.00864	4.8
89.02441	35.2
93.50029	1.3
95.01408	1.2
97.02961	5.5
99.00945	1.3
101.02444	26.4
113.02457	12.7
119.03491	5.8
125.02433	9.3
130.36446	1.1
139.04016	1.1
143.03506	4.4
151.34647	1.0
161.04584	2.0
179.05693	1.8
185.04509	1.7
203.31569	1.1
221.06696	1.2
235.08223	11.5
237.97102	1.0
253.09291	1.3
277.21741	85.8
287.07867	1.5
305.08755	2.1
329.17581	8.0
343.15353	1.4
397.13538	100.0
415.14590	34.9
555.59106	1.1
608.31378	1.1
675.35461	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	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54382	0.6
59.01383	41.9
71.01383	28.4
72.99321	0.8
73.02941	3.5
81.03465	0.8
82.05433	0.8
83.01403	3.3
85.02948	5.5
87.00864	3.9
89.02445	32.6
93.40611	0.8
95.01376	1.4
96.59891	0.8
97.02935	5.7
99.00875	1.4
101.02441	21.2
111.40697	1.0
113.02462	12.2
119.03482	6.5
125.02452	7.3
131.03517	1.0
133.05040	1.2
143.03467	1.7
156.51056	0.9
158.12138	0.7
161.04558	4.6
171.64070	0.8
179.05669	1.7
213.52696	0.8
221.06651	3.1
235.08206	8.9
242.06897	0.7
242.39722	0.8
253.09229	1.1
277.21741	79.9
287.07733	2.0
305.08804	3.2
369.79404	0.9
397.13528	100.0
415.14606	33.5
550.82086	0.9
675.36255	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	675.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50556	0.4
51.29206	0.4
54.20647	0.4
59.01379	0.7
71.01381	2.1
83.28651	0.5
85.02960	0.8
101.02405	0.8
109.66360	0.5
113.02470	0.6
123.08146	2.7
136.10603	0.5
136.33250	0.5
178.72928	0.5
181.12320	2.5
205.12384	0.8
235.13397	10.4
253.14456	100.0
263.44763	0.5
421.20773	4.8
675.36212	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	676.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49774	1.0
53.56327	1.0
56.31643	1.3
56.83766	1.3
58.02972	1.9
61.98826	2.8
70.57870	1.2
74.02463	16.4
77.87442	1.1
82.03043	1.3
86.02460	1.7
87.05619	1.3
97.04102	1.3
99.05640	11.6
109.02937	4.1
110.38103	1.3
113.03576	4.8
120.98100	1.3
123.04508	2.1
125.02454	13.3
125.03297	1.3
126.02755	1.4
127.05087	2.3
128.03540	34.2
130.78670	1.1
135.05637	1.5
137.02496	1.2
138.21368	1.1
141.06708	1.5
143.04616	54.2
145.06210	2.1
146.04599	4.3
149.02481	1.4
151.04010	2.3
153.06694	6.4
160.00723	13.7
161.02422	1.7
164.00914	1.2
166.09903	2.0
167.04652	1.8
167.08299	1.6
177.03389	1.4
179.04636	12.4
179.06985	2.1
188.04774	1.2
203.07043	2.8
205.05061	5.5
205.08690	1.2
210.08899	12.1
217.08603	1.5
232.76941	1.3
245.08119	1.9
254.07837	8.3
272.08850	6.8
289.07056	4.1
290.07571	1.9
306.07663	100.0
308.16150	1.4
342.14850	4.8
369.13403	5.8
385.13162	1.4
386.13773	13.6
523.15784	1.8
524.16742	2.6
555.38373	1.5
676.21368	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	676.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97234	0.5
58.02978	1.5
61.98820	1.3
71.01366	0.7
74.02473	14.7
79.41050	0.6
86.02472	4.7
87.05623	2.7
90.00166	0.7
99.05624	9.2
101.07199	1.1
109.02953	4.0
112.04036	0.9
113.02477	0.7
113.03601	2.4
123.04514	2.6
125.02449	17.0
125.03407	1.3
126.02765	2.8
127.05139	1.5
128.03540	29.1
135.05614	1.1
136.07666	1.1
137.02466	3.2
141.06746	1.6
143.04623	46.7
145.06166	2.8
146.04599	4.4
149.02429	1.1
151.03999	3.4
153.06653	4.6
160.00754	10.6
161.02431	1.4
162.02995	1.0
164.10866	0.7
165.01865	2.6
165.29054	0.7
166.02249	1.1
166.09851	2.4
167.04639	3.1
167.08278	3.0
170.03297	1.1
171.04118	0.8
171.07773	0.8
177.03394	4.3
179.03419	0.9
179.04683	8.8
179.07112	3.3
185.05687	1.5
197.05670	0.9
203.07140	3.1
205.05013	6.6
205.08670	2.4
207.10342	0.9
210.08885	12.0
219.06653	0.9
223.09712	0.8
245.08315	3.7
246.08862	1.1
254.07823	6.8
272.08884	7.4
288.06616	3.6
289.07123	6.3
290.07455	3.3
297.15131	0.7
301.14764	0.7
304.12341	0.8
306.07678	100.0
308.16019	2.4
325.14612	1.0
342.14929	5.5
354.04706	0.7
369.13406	7.4
385.13165	1.0
386.13849	11.6
407.08099	0.8
506.15912	1.0
512.68738	0.8
523.16516	0.9
524.16589	4.8
626.05872	0.8
676.20947	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	676.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49367	1.0
54.82404	0.9
56.09686	0.9
61.24758	1.0
61.98835	100.0
62.77169	1.0
132.13583	1.2
271.45105	1.2
291.09708	1.3
626.30585	1.3
681.83008	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	677.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53804	0.8
57.35421	0.9
60.51257	0.9
63.90015	0.8
71.67332	0.8
73.43289	0.9
87.35893	0.9
109.02951	23.7
111.04510	14.2
121.02907	2.2
123.00860	1.7
123.04517	17.4
125.02453	13.8
135.04515	2.1
137.02383	1.1
139.04016	51.0
149.02417	1.3
150.03299	1.1
151.04033	9.2
161.02431	6.4
163.00368	31.1
163.04080	1.1
164.01167	23.4
165.01900	6.3
166.02751	1.8
167.03531	7.9
175.03986	3.9
177.01920	8.8
177.05769	1.0
178.02725	4.5
179.03505	27.9
191.03506	1.3
193.01477	7.0
193.05190	1.0
195.06723	1.1
205.01433	28.4
206.02257	3.3
207.02974	4.4
219.02962	6.6
233.00945	14.7
235.02516	4.7
243.06709	1.5
247.02550	3.7
285.07785	8.8
285.10480	1.1
301.07059	1.1
319.08261	55.1
324.20071	1.0
325.41122	1.0
329.06659	8.4
357.06198	100.0
573.16193	1.3
635.00287	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	677.294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56356	0.4
58.02967	4.9
59.01383	1.3
65.86131	0.5
67.97360	0.5
70.02973	8.2
72.04546	1.0
74.02473	30.1
92.20099	1.1
94.99026	0.6
98.02477	6.3
101.02455	2.4
109.02929	1.3
116.03535	18.3
116.05040	8.5
123.04504	0.8
125.02454	2.4
133.37488	0.5
137.02444	0.6
142.06615	0.8
151.04019	0.7
159.09267	2.9
163.03996	0.6
165.01944	0.8
179.03505	0.9
183.09224	0.6
186.05649	0.8
201.10312	5.9
203.08290	59.9
205.05072	2.1
245.09309	100.0
289.07919	4.9
289.16586	3.4
306.07669	2.6
307.08020	0.8
315.08908	1.2
368.01791	0.7
369.13388	1.2
387.14603	1.0
677.23730	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	677.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	1.5
65.43018	1.4
69.03448	2.0
72.28683	1.7
74.95184	1.6
75.92918	1.6
92.19450	2.1
99.92533	1.8
116.92854	93.0
117.01925	2.6
122.45605	1.6
123.11823	2.2
125.02434	2.2
144.86877	1.6
155.10791	14.1
167.10768	100.0
185.11865	7.5
211.09666	7.5
211.82617	1.8
214.96599	1.9
229.10812	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02383	0.5
60.41572	0.5
65.73980	0.5
67.07538	0.5
67.59156	0.5
95.53657	0.5
97.06575	5.6
165.12807	2.2
191.14375	7.2
219.13916	5.3
221.15472	98.6
237.14937	8.2
239.16507	3.2
260.10806	0.7
265.14456	100.0
291.26187	0.6
304.31271	0.5
528.35712	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	677.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
93.22601	0.8
121.03003	1.0
315.16055	16.2
331.19147	17.4
345.17093	100.0
433.10175	0.7
489.02759	0.8
500.65851	0.8
614.70288	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	677.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03457	0.5
59.01387	35.6
63.92659	0.5
69.03421	0.6
71.01386	19.1
73.02948	3.9
81.03474	0.6
83.01396	2.2
85.02956	4.3
87.00870	5.5
89.02448	26.9
95.01395	0.9
97.02949	3.2
99.00899	0.6
101.02448	24.1
113.02442	9.6
119.03506	5.6
120.91154	0.6
122.32310	0.5
125.02449	7.9
126.24493	0.5
132.03479	0.5
139.04089	0.7
143.03482	3.4
161.04475	3.7
169.04953	0.5
179.05634	2.5
221.06665	1.1
235.08232	10.3
253.09464	1.7
263.07764	0.6
279.23315	100.0
287.07709	2.3
305.08749	2.5
397.13544	92.1
415.14578	29.5
471.30862	0.6
677.37488	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	677.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.4
57.14476	1.0
57.52763	1.1
59.01385	31.4
65.50693	1.1
69.24046	1.1
71.01385	17.7
73.02962	4.9
83.01406	1.8
85.02940	3.0
87.00871	1.9
89.02448	27.6
97.02934	2.7
99.00883	1.4
101.02452	21.3
109.42648	1.2
113.02454	10.8
119.03516	5.1
125.02457	7.4
143.03514	2.4
143.42960	1.2
152.99553	1.6
161.04546	1.2
179.05632	1.9
232.91240	1.1
235.08237	7.3
274.66653	1.6
279.23312	100.0
281.20313	1.2
287.07745	1.9
305.08838	2.9
332.48135	1.3
397.13522	83.1
415.14560	24.4
595.28296	1.6
632.77814	1.3
677.37439	7.6
693.60071	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	677.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
57.77760	1.4
57.78213	1.5
61.98833	1.9
81.03468	2.2
83.01398	2.4
85.13822	1.9
120.06649	2.1
125.02444	100.0
138.79413	1.8
221.19110	3.1
263.20090	8.3
265.17990	2.9
267.19687	3.0
281.21152	1.8
283.19214	3.3
285.20691	41.1
346.32248	2.1
603.56207	2.1
677.42926	81.3
683.99567	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	679.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	5.5
70.02979	6.9
71.06662	0.6
72.04551	2.4
74.02473	38.5
77.61115	0.5
83.68787	0.5
83.69330	0.6
85.30135	0.6
92.79285	0.6
98.02489	7.3
116.03535	16.7
116.05045	7.8
145.02962	0.7
146.42140	0.6
159.09248	3.2
168.14651	0.6
186.05540	0.8
201.10274	5.7
203.08281	61.1
245.09309	100.0
289.08176	3.9
289.16354	0.8
345.06607	0.7
380.05475	0.6
679.24860	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	679.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18314	1.0
56.55582	0.9
59.08620	1.0
66.34195	0.9
71.01383	24.3
73.02962	2.5
80.08372	1.0
83.01408	1.5
85.02935	4.6
87.00863	2.4
92.07390	1.1
93.03454	5.8
97.02973	3.6
99.00871	5.4
101.02441	7.7
115.00371	67.8
115.04000	1.9
117.03467	4.6
119.05017	16.3
125.02442	2.1
133.02979	1.6
135.04533	1.2
137.81625	1.1
141.01909	4.0
143.05034	4.9
145.02951	81.8
155.03563	1.4
161.04552	28.7
163.04021	17.4
175.06108	18.2
179.82457	1.1
193.07173	68.7
211.07648	100.0
223.07617	4.5
235.07658	5.0
237.09204	9.8
239.10764	1.8
240.54465	1.2
247.07487	1.8
252.37910	1.2
253.08795	1.5
263.07309	1.5
265.08691	25.3
273.06128	19.5
291.07214	58.2
309.07748	15.3
339.10864	53.4
339.14978	1.7
459.16681	1.3
467.14267	11.4
482.51160	1.2
485.14606	15.2
503.15527	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	679.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.0
71.01376	16.3
71.01771	0.6
74.76160	0.4
76.92214	0.4
85.02940	1.9
87.00874	0.5
88.61904	0.4
89.02436	39.1
99.08192	0.5
101.02445	20.3
113.02438	13.1
119.03485	17.4
125.02449	0.6
131.03488	0.7
135.04503	3.9
148.48297	0.5
149.04558	0.8
161.02437	18.1
161.04578	1.6
178.41994	0.5
179.03500	4.9
179.05519	0.6
316.92471	0.5
323.13486	100.0
355.10345	8.7
683.73621	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	679.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
72.30748	1.1
72.61324	1.0
79.18757	1.0
80.51290	1.1
103.28610	1.2
115.95732	14.8
117.97303	5.3
118.98090	17.6
126.77421	1.2
140.06952	1.2
221.13663	2.5
231.10260	2.9
249.13242	1.4
265.12738	2.2
300.47351	1.2
313.14517	2.8
313.18140	62.6
328.16794	29.3
329.17609	100.0
341.17584	33.1
351.12772	10.5
385.16525	2.6
406.59436	1.3
413.16058	25.9
446.13934	1.7
679.29578	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21099	0.8
53.51816	1.0
58.02980	4.2
67.80286	0.9
70.02981	7.3
72.04530	1.0
74.02472	32.2
85.07845	0.8
92.43037	1.0
98.02468	6.7
113.70798	0.9
116.03539	20.1
116.05073	7.1
125.02406	1.0
159.09209	2.0
201.10277	6.6
203.08278	64.0
245.09312	100.0
289.08279	1.9
290.83075	1.0
308.32928	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	679.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
78.57600	1.0
83.57530	1.1
88.48510	1.2
91.14834	1.1
97.02951	1.2
104.57822	1.1
115.49453	1.0
121.02942	1.6
156.60625	1.3
177.12807	7.5
191.14442	10.5
193.16011	2.2
203.14404	6.6
205.12354	5.1
221.15469	96.0
229.30496	1.3
247.13358	1.7
265.14453	100.0
297.03552	1.0
415.67847	1.1
442.26965	1.1
454.58835	1.1
478.17685	1.3
646.33063	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	679.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.52941	0.6
59.01102	1.2
59.01388	31.7
61.08698	0.5
65.02248	0.6
69.03448	0.9
71.01378	16.6
72.99249	0.5
73.02954	3.5
78.95892	0.8
81.03487	0.9
83.01400	2.1
85.02946	3.5
87.00874	3.8
89.02449	26.3
92.20065	1.1
92.56512	0.6
97.02942	4.0
99.00891	1.1
101.02444	19.4
111.04515	0.7
113.02462	9.8
119.03512	5.7
125.02442	8.2
131.03519	0.6
133.05086	1.2
136.57167	0.7
136.58231	0.6
139.03957	0.6
143.03488	2.8
152.99576	3.8
161.04536	2.8
179.05643	1.3
221.13986	0.7
235.08269	6.5
241.01225	0.8
281.24884	100.0
287.07803	1.3
305.08899	1.4
313.18198	0.8
328.16830	1.4
329.17679	6.1
397.13553	79.3
415.14581	22.3
597.30365	5.0
679.39429	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	680.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88066	5.2
59.78167	4.7
109.02979	6.8
137.02444	34.1
165.02011	40.2
331.04654	10.0
390.44415	6.2
617.13220	100.0
617.29193	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	680.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50713	0.5
59.01394	0.7
66.75721	0.6
71.01376	13.2
72.99294	4.0
73.02955	0.6
74.26396	0.6
85.02982	0.7
93.03454	1.0
101.02424	1.3
115.00369	19.3
115.01183	0.6
116.00709	2.6
117.03411	0.9
119.05016	4.4
120.05365	1.1
125.02480	1.0
134.03737	15.1
145.02957	27.3
146.02184	1.0
146.03282	10.2
149.06068	20.8
150.56046	0.6
161.04581	6.6
162.05589	3.6
163.04010	5.0
164.04286	1.2
175.06096	3.3
178.02676	11.1
193.05080	100.0
193.07108	13.7
194.07518	3.7
204.61923	0.6
208.06146	10.7
211.07648	13.4
212.07994	11.0
236.08243	0.5
237.09221	0.8
263.56628	0.5
265.08624	2.5
266.08994	3.5
273.06155	3.3
274.06522	0.7
285.94427	0.7
289.39972	0.5
291.07187	9.4
292.07498	6.0
309.07654	2.0
310.08167	2.7
339.10822	13.4
340.11182	14.2
355.10342	17.3
390.53021	0.6
406.07498	0.6
453.10464	5.8
460.16357	0.6
467.14310	1.1
468.14157	1.2
471.11404	10.0
486.14786	3.7
504.15930	2.1
650.73560	0.5
682.97003	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	680.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66229	68.5
59.01377	95.2
65.64365	83.6
74.31361	69.7
80.39547	84.9
85.93180	72.7
95.59834	92.9
102.93346	87.7
127.88429	79.9
203.58817	77.1
290.13846	71.9
292.90997	97.7
304.47720	85.1
310.57053	90.0
554.79004	95.6
704.00092	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	680.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06659	0.8
59.01386	100.0
65.82246	0.8
81.68185	0.9
96.95953	1.1
107.08444	0.8
108.15543	0.9
147.04509	1.4
155.10741	1.9
192.10318	35.5
297.14932	1.6
427.17490	3.1
620.28827	8.7
638.29413	1.5
680.30707	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02576	1.5
56.29674	1.6
59.01386	100.0
59.01687	3.4
61.98842	1.8
81.54295	1.6
85.42254	1.8
128.67656	1.8
132.85011	2.0
174.60005	1.7
176.67297	2.0
190.35463	1.9
192.10301	34.9
230.45801	1.8
248.62050	1.7
264.92786	1.9
265.02130	1.7
306.23080	2.0
325.14484	2.0
327.21790	3.6
417.51782	2.1
425.19568	1.9
427.17770	3.2
482.32236	2.1
496.37015	1.8
535.06567	2.4
549.28656	3.6
550.71405	1.8
620.28204	3.7
680.30640	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13088	1.8
52.90689	2.0
71.01369	2.7
81.03449	3.3
83.01389	5.8
83.86199	2.6
92.20097	4.6
95.74981	2.9
109.02966	19.6
111.04561	2.9
121.02931	4.8
123.04510	12.9
125.02434	52.7
126.26249	2.4
135.04500	3.6
137.02458	9.2
145.02969	5.3
149.02386	5.6
151.00398	10.5
151.03998	14.8
161.02493	4.4
161.06091	3.7
163.04073	3.4
165.01920	4.4
165.05548	5.6
167.03513	15.8
175.04037	2.7
179.03503	24.0
185.06088	14.8
187.03993	9.9
199.07713	5.9
201.05542	2.4
203.03064	2.5
203.07111	18.5
205.05051	21.3
220.39595	2.5
227.07127	10.5
229.05066	100.0
231.02975	2.7
241.05022	4.1
243.06725	4.1
245.08136	12.5
255.06317	2.7
271.06134	91.9
285.82492	2.5
287.09247	3.6
288.50037	2.7
289.07123	20.5
301.07129	11.6
331.08292	87.2
333.56024	2.5
361.09445	4.9
377.23026	2.3
391.10443	16.4
433.01279	2.6
451.12433	12.5
550.86536	3.0
631.55859	3.2
681.18164	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2333
Annotation	Tiegusanin F
Peak:m/z	Relative Intensity
52.40222	3.8
54.62486	4.4
59.01387	19.7
62.15329	4.5
92.19481	9.3
94.36421	4.8
121.02959	100.0
298.95905	5.0
381.22852	4.9
415.01123	4.4
525.22339	5.0
593.45740	4.9
621.36926	8.2
645.26276	9.2
681.23383	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2333
Annotation	Tiegusanin F
Peak:m/z	Relative Intensity
53.92358	2.7
59.01385	21.6
71.01386	2.4
81.35168	2.5
89.02441	2.8
91.57676	2.2
93.90258	2.5
101.02454	9.8
103.04012	22.7
109.85886	2.3
114.10999	2.4
116.92802	3.1
119.03497	3.3
121.02961	36.2
139.03967	3.3
155.35327	2.5
235.26497	2.5
269.81009	2.4
297.18628	3.1
308.26746	2.6
359.14951	3.6
477.24631	2.6
577.18292	23.7
603.24506	5.2
681.22882	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	681.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74100	3.7
54.95205	4.5
59.01373	10.3
61.98843	4.6
65.25292	4.1
83.09090	4.1
85.02943	4.1
91.69404	4.1
94.78656	4.2
103.04006	26.3
104.91729	4.7
121.02959	37.4
151.03961	4.8
194.34555	4.5
238.02361	4.5
308.51840	4.8
577.18579	26.8
681.23358	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	681.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39350	0.5
62.15253	0.5
68.15948	0.5
71.01379	3.5
89.02433	0.8
100.85072	0.6
104.12924	0.6
115.00358	18.8
119.05036	0.7
121.02940	2.2
133.01433	100.0
135.03481	1.0
135.04526	18.0
151.04042	1.0
163.03998	4.0
177.73856	0.7
179.03506	34.4
213.18669	0.6
295.04684	15.7
295.07913	1.5
295.11578	1.1
300.02808	0.9
458.41501	0.8
609.14423	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	681.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47715	0.6
53.38488	0.7
63.91765	0.7
70.75182	0.8
71.01405	0.9
72.73862	0.7
93.03454	6.8
97.83241	0.7
102.98537	0.7
111.04536	1.9
121.02945	18.0
125.02398	1.2
133.01413	3.6
136.01671	1.4
137.02470	3.7
151.04012	11.8
155.03453	4.3
173.04547	100.0
186.15434	0.7
230.48593	1.0
295.08218	38.3
357.13406	7.7
372.57687	0.8
393.54880	0.9
496.20847	1.2
501.76422	0.8
514.41504	0.8
519.18359	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	681.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83161	0.8
59.01386	100.0
90.91292	1.1
111.67428	1.1
147.04495	6.5
204.09949	1.0
235.11273	1.2
255.54213	0.9
383.16599	1.9
422.43817	1.3
443.18948	2.5
503.20834	1.4
681.32233	4.9
681.45520	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	681.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49356	3.7
59.73001	3.4
78.60018	3.8
78.95906	65.6
93.54906	3.8
353.22839	4.8
404.24323	4.2
447.13388	6.7
681.29816	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	681.387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25746	0.4
58.82903	0.5
59.01373	0.7
80.93376	0.6
83.04988	0.6
83.97862	0.6
92.49132	0.6
96.95992	0.8
110.68600	0.6
116.92773	0.7
118.84465	0.5
137.09702	6.8
145.05035	2.2
155.10785	100.0
156.11128	2.3
157.11337	0.7
189.13232	0.6
189.82555	0.5
199.09776	68.6
200.06140	0.5
200.10094	1.2
209.28503	0.6
211.97917	0.5
216.18689	0.5
259.11911	0.5
308.84827	0.6
380.31140	0.7
479.37698	0.7
506.91953	0.6
652.50494	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	681.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28448	0.8
58.59054	0.8
64.22248	0.8
69.95222	0.9
109.02995	1.4
121.02880	1.1
125.02499	6.9
145.02991	1.0
150.97345	1.1
151.03960	1.2
179.03419	1.6
193.16029	1.9
205.15901	0.9
211.16943	1.2
221.15477	50.2
221.17593	2.2
223.17061	52.1
224.23344	0.9
229.05135	9.1
239.16521	1.8
241.18117	18.5
255.72893	1.0
265.14365	1.5
267.16028	100.0
271.06134	10.7
289.07147	1.3
291.98987	1.0
301.07098	1.1
331.08331	8.5
355.38208	1.1
391.10220	1.4
463.22525	1.2
584.51196	1.0
666.99628	1.2
681.17798	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	683.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89916	0.3
77.35566	0.3
88.08826	0.3
94.40610	0.3
97.52453	0.3
99.92580	4.2
111.95693	0.3
113.68939	0.3
114.93414	0.5
116.92857	100.0
152.43936	0.3
197.54988	0.3
200.25865	0.3
527.86951	0.3
535.83740	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	683.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88801	0.9
59.01388	2.0
60.99307	15.1
66.41769	1.2
88.98805	92.3
89.02454	1.0
90.55088	1.3
91.55102	1.1
96.32882	1.2
101.82555	1.2
116.92881	1.5
125.02527	1.7
153.05551	1.6
163.00403	1.4
184.49194	1.4
191.05641	6.6
227.03488	1.5
255.03041	9.6
256.03714	1.4
257.04745	1.5
284.03284	64.7
285.04068	69.9
354.50040	1.4
437.40610	1.3
559.29126	1.4
593.15210	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	683.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67785	1.1
71.01381	7.8
92.19347	2.7
105.89148	1.5
115.00329	18.0
119.05017	16.0
120.36021	1.4
121.02936	2.9
125.02451	5.5
133.01433	100.0
139.31158	1.4
147.36894	1.5
155.65855	1.9
163.04010	47.0
173.04457	2.7
185.57182	1.5
201.58946	1.4
223.07678	3.0
241.10829	1.7
279.05081	19.7
295.08542	1.7
454.22858	1.9
563.36700	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	683.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31807	0.5
59.01385	31.4
63.94030	0.6
71.01381	26.1
73.02933	0.6
83.01343	0.6
85.02955	2.7
88.59276	0.5
89.02439	63.8
95.01401	0.9
101.02435	20.4
113.02437	14.4
119.03492	23.0
131.03479	3.8
138.10634	0.6
143.03484	3.5
149.04483	0.7
161.04509	4.6
176.22530	0.7
179.05612	11.5
341.10910	100.0
634.47168	0.8
683.21729	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	683.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14100	0.4
51.33527	0.4
56.80949	0.5
59.01385	32.9
65.83347	0.5
69.06190	0.5
71.01383	25.1
71.41937	0.5
73.02925	0.5
74.92039	0.5
78.46338	0.5
79.38304	0.4
85.02943	2.6
87.00877	1.1
89.02444	63.8
89.87121	0.5
93.21281	0.4
95.01411	0.9
96.20113	0.5
97.02996	0.5
101.02441	19.6
113.02448	16.3
119.03501	20.4
119.04359	0.7
131.03510	3.1
143.03491	2.6
149.04520	0.8
161.04588	3.7
179.05650	11.0
214.49681	0.5
294.85507	0.6
341.10922	100.0
401.60916	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	683.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33608	2.1
58.84673	2.0
59.01392	24.9
75.79733	2.4
89.28537	2.4
96.96009	16.0
96.96973	3.7
121.02956	100.0
125.02417	3.1
161.02580	2.9
163.84993	2.3
286.63287	2.2
337.46301	2.5
433.48627	2.4
507.22662	2.8
587.25043	3.5
683.25311	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	683.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76554	3.9
56.25089	3.4
59.01386	72.7
70.28841	3.5
71.01357	4.7
73.06649	3.6
76.43613	3.9
83.05031	7.8
85.02969	19.7
97.02940	7.7
99.04528	17.4
109.06661	4.6
113.02451	5.1
121.02941	100.0
121.06638	4.9
125.02412	7.2
126.96077	4.5
137.06067	5.4
149.06073	26.3
151.04012	8.4
167.07164	50.6
214.42220	4.9
232.98123	5.4
294.66769	4.6
294.88770	4.4
307.21808	4.4
327.15967	4.9
387.18188	7.6
447.20288	15.1
465.21161	20.0
683.24573	8.7
687.53149	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	683.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30539	1.6
58.42262	1.8
59.01385	26.6
64.46673	1.6
65.43759	2.0
68.30649	1.8
72.99329	1.8
81.43369	1.8
87.00860	4.2
88.98823	2.9
92.19382	3.9
96.96030	2.0
99.43971	2.1
101.02531	1.9
103.04014	100.0
113.02393	3.3
115.03993	3.7
120.29193	2.1
121.02952	65.7
139.04042	2.0
144.04631	2.1
165.01945	2.4
197.74062	2.1
202.41714	1.8
209.11720	2.0
221.11824	3.1
229.12299	3.3
241.14827	2.2
247.13438	3.4
247.86661	1.9
255.42029	2.0
265.14340	2.8
306.97284	1.9
307.15564	3.2
351.18137	40.6
361.16611	2.6
551.71991	2.1
623.31104	2.3
683.25140	12.3
688.05273	2.4
690.15491	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	683.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	11.4
77.50854	1.0
77.97279	0.8
78.80820	0.9
96.38758	0.9
96.96008	4.6
101.02425	1.1
117.86645	1.1
121.02954	100.0
140.23282	0.9
141.22505	1.2
156.51961	0.9
182.24068	1.0
258.86160	0.9
309.14716	0.9
561.20996	4.8
575.79340	1.0
587.25055	6.6
605.26508	1.2
614.80292	1.0
623.30872	2.3
643.95209	1.2
683.24689	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	683.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63223	1.5
59.01390	24.1
66.79960	1.7
68.16000	1.6
76.64848	1.6
85.23366	1.8
96.95991	2.8
103.23264	1.8
121.02958	100.0
125.02471	7.8
151.03960	2.1
525.23340	8.8
589.86945	2.0
647.27240	3.4
683.24237	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	683.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
62.44621	0.5
63.29524	0.5
68.01655	0.5
71.01380	2.8
73.02935	0.9
78.04794	0.5
83.01346	0.6
84.07619	0.5
85.02934	0.7
89.02431	4.3
101.02412	4.8
113.02389	0.9
117.03458	0.8
119.03485	1.2
119.05016	9.7
145.02950	51.3
148.80360	0.6
161.04521	1.0
163.03998	9.5
163.07648	3.3
174.64372	0.5
181.08708	30.0
231.60364	0.6
237.39577	0.6
261.87851	0.5
270.14151	0.5
339.10898	23.6
343.13989	100.0
390.21158	0.7
397.29858	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	683.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95785	0.2
61.58305	0.2
62.26033	0.2
70.60250	0.2
89.95916	0.3
117.03471	0.7
119.05023	2.4
122.03738	0.3
130.12239	0.3
138.73329	0.3
145.02948	25.1
161.04619	1.1
163.03952	2.5
181.08704	100.0
185.13599	0.4
193.07077	0.6
202.47858	0.3
230.52022	0.3
339.10837	10.6
339.14868	0.4
343.13977	27.8
507.58514	0.4
511.34207	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	683.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98265	0.5
68.42968	0.5
99.52961	0.6
111.72327	0.5
115.98460	0.6
117.03418	2.1
118.98110	0.8
119.05008	10.5
120.05373	0.8
145.02957	46.8
146.03299	5.7
147.03465	1.9
148.03735	0.8
161.04596	0.7
163.04012	10.4
164.04384	1.0
175.06161	1.0
180.57037	0.5
181.08711	100.0
183.06468	0.7
258.87454	0.6
285.11310	0.7
327.12396	0.9
329.14029	1.0
339.06985	1.1
339.10880	24.8
340.11160	2.4
341.11456	5.1
342.11682	2.7
343.14093	30.8
418.01440	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	683.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44163	60.6
54.43803	76.3
56.55093	61.3
83.37827	77.0
85.02350	69.3
245.53653	80.5
289.25113	74.1
295.88715	91.1
523.70001	92.9
683.25494	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	683.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58013	1.9
59.01103	4.3
59.01384	100.0
61.98824	10.3
69.94959	2.1
71.01382	2.1
78.46101	2.2
86.97518	2.1
92.20073	3.1
95.28993	2.3
109.43768	2.6
116.92834	4.5
147.04500	29.4
177.93449	2.3
205.54591	2.6
225.44542	2.5
264.24841	2.6
322.12216	2.9
329.17477	9.5
343.26590	2.8
361.16617	2.8
405.26508	3.1
411.01880	2.6
623.34381	33.7
683.27948	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	683.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28252	1.6
59.01385	100.0
59.70034	1.5
63.12539	1.6
78.95878	1.9
92.19444	3.7
96.82296	2.0
115.60636	1.8
142.53021	2.0
145.69400	1.8
211.97842	2.1
254.17271	2.1
323.12799	2.8
324.13538	2.6
562.01257	2.0
683.29950	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	683.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41426	0.7
51.45834	0.6
54.56984	0.7
55.87635	0.6
59.01388	100.0
71.01382	3.5
73.02953	1.4
82.32634	0.7
85.02952	0.9
88.85198	0.6
89.02440	4.2
96.95950	1.0
101.02462	2.7
101.06045	0.9
113.02428	0.8
116.92881	1.2
161.04584	0.9
176.85631	0.8
179.05588	1.5
181.08760	1.5
226.68918	0.7
277.16055	1.0
286.01370	0.8
306.97586	0.9
313.53970	0.8
351.25327	0.8
404.02179	0.8
483.83902	0.8
521.27692	0.9
563.28516	5.2
623.30701	7.7
683.32336	5.1
684.25928	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	683.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92393	0.8
59.01385	100.0
70.10172	0.7
71.01382	10.1
75.00863	0.7
83.01418	0.9
85.02944	1.6
89.02435	21.1
95.01400	1.0
97.41456	0.8
101.02438	7.2
113.02448	7.4
116.92821	1.1
119.03495	8.4
143.03539	1.1
152.09392	0.9
152.76221	0.8
161.04584	2.0
179.05618	12.4
217.89177	0.8
219.00316	1.0
222.32561	0.8
237.63792	0.8
623.30450	3.4
654.72662	1.1
683.33008	4.8
686.90454	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	683.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50842	0.4
53.63356	0.3
55.36267	0.3
59.01384	100.0
71.01373	3.3
73.02949	3.8
85.02991	0.5
89.02441	2.5
99.00871	0.6
101.02464	3.3
113.02460	2.1
121.02955	0.4
131.03587	0.5
136.19691	0.4
161.04619	1.5
178.21916	0.4
184.87489	0.4
221.06737	0.4
241.22813	0.4
279.63129	0.4
375.22034	0.6
419.24527	2.7
563.28418	0.8
581.29883	2.2
623.30847	11.3
683.32898	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	683.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.21421	1.0
75.54787	1.0
89.48923	1.4
104.45458	1.0
115.07647	46.6
156.69038	1.2
242.79884	1.1
267.50900	1.1
335.92267	1.1
407.29443	1.2
462.55017	1.4
607.80640	1.3
640.73163	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	683.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66276	0.5
59.01379	1.0
61.98825	3.7
67.23689	0.6
79.25231	0.6
86.39349	0.6
107.63232	0.6
124.64883	0.6
131.32166	0.6
177.86479	0.7
203.38963	0.6
212.57785	0.8
581.27228	3.9
645.11322	0.8
683.34186	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	683.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34255	0.8
59.01380	21.2
65.80555	0.8
68.77451	0.9
71.01378	5.8
78.95897	2.2
86.74838	1.0
87.00858	4.8
89.02429	2.2
91.08009	1.0
95.01375	1.3
96.07561	0.9
101.02442	6.6
109.06598	1.0
113.02448	3.6
119.72471	1.0
137.59726	1.0
152.99593	5.5
161.04662	1.1
168.65428	0.9
171.10159	1.4
173.93425	1.1
239.16429	1.3
315.26816	2.1
325.25327	4.6
341.24789	3.9
343.26373	4.6
351.23199	2.4
359.25781	6.8
361.27612	1.4
369.24396	8.1
387.25366	12.6
405.26559	11.0
407.82013	1.0
486.06503	1.1
623.34497	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	683.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97530	2.4
56.05461	2.5
57.06983	2.9
59.01382	42.8
82.10630	2.9
101.02432	6.3
116.92835	5.1
152.99591	5.0
241.55441	3.4
261.59293	3.0
293.21045	3.6
311.16336	5.4
313.10815	5.0
323.12726	5.3
325.14316	4.8
325.24884	3.9
329.17664	5.0
343.11682	7.3
359.25681	4.5
369.24265	6.3
387.25293	14.5
405.26440	14.7
623.34528	100.0
683.27771	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	683.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.5
59.40328	0.7
71.01388	6.3
73.02921	1.4
75.91999	0.8
78.95986	1.0
85.02950	1.5
87.00881	1.6
89.02419	3.4
101.02433	7.3
113.02457	4.3
145.05074	1.3
147.04469	5.2
152.99564	1.3
161.04553	1.9
171.10289	1.4
179.05638	1.0
231.17519	1.3
235.08134	1.1
239.16501	1.5
241.18112	4.9
265.18155	1.2
267.19553	1.5
275.16510	1.7
290.22473	0.9
296.46735	0.9
313.25287	0.9
325.25336	6.7
341.24768	4.0
343.26288	5.4
351.23206	2.1
359.25943	6.2
361.27310	1.6
369.24402	7.8
387.25427	14.5
405.26486	10.2
623.34442	100.0
683.32721	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	683.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01375	12.3
78.74765	1.0
87.93677	1.1
89.02438	19.5
95.01349	1.8
96.96002	1.2
101.02449	5.9
101.06062	6.0
113.02436	7.6
117.30692	1.1
119.03471	6.5
121.02962	1.3
143.03511	1.3
161.04565	1.3
172.91853	1.1
179.05644	16.5
181.08705	11.4
185.04468	1.4
202.04134	1.2
222.45148	1.1
413.42413	1.2
623.34467	5.9
683.26434	1.6
683.36981	11.9
691.84814	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	683.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46393	0.6
50.89810	0.6
51.76374	0.7
54.76987	0.7
55.01871	0.9
57.03428	0.8
59.01381	33.0
59.59573	0.8
66.45528	0.8
71.01379	23.6
72.99303	1.1
73.02953	7.0
83.01389	3.6
85.02958	10.3
85.39534	0.8
89.02441	21.7
94.74381	0.7
95.01394	0.9
99.00873	1.0
101.02435	23.4
111.00877	3.4
113.02447	11.8
119.03486	4.9
123.28378	0.8
125.02442	0.9
129.01942	0.8
142.91772	0.8
152.23871	0.8
161.04636	1.3
192.14468	0.9
220.18227	0.9
229.06123	3.8
230.72630	0.7
233.22758	1.0
245.07869	1.1
289.06995	1.3
466.10693	0.9
517.51990	1.1
647.21454	4.2
683.28412	3.9
683.38708	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	683.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72070	0.8
56.46932	1.1
59.01374	2.9
70.28686	1.0
71.01364	1.8
88.21989	1.2
89.02439	2.8
89.28855	1.1
97.06582	6.3
101.02448	4.8
107.78105	1.2
108.21258	1.0
110.29271	1.1
112.84457	1.1
113.02437	1.8
123.08164	2.4
125.09718	90.0
169.07260	1.0
169.08693	5.0
173.57031	1.3
187.09767	84.2
191.20361	1.3
253.09235	1.7
255.23289	1.4
277.21719	19.3
362.86386	1.3
423.19107	1.6
683.40308	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	683.527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94237	1.7
56.45072	1.4
59.01368	4.0
59.01864	1.7
62.12640	1.6
75.91162	1.6
77.34228	1.7
106.51031	1.9
114.62861	1.8
117.18127	2.0
266.79620	1.9
303.23282	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	684.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28524	0.6
56.07845	0.6
57.92153	0.6
61.98837	100.0
71.56524	0.6
92.19487	1.2
134.01733	0.8
137.07475	0.7
176.10611	0.8
206.99083	0.8
208.18550	0.9
279.56339	0.8
379.04724	0.8
390.15482	1.5
684.33643	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	684.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76799	0.6
56.62847	0.5
59.01383	100.0
61.98833	2.8
65.39256	0.6
72.66466	0.6
72.99301	4.8
83.09781	0.7
90.76498	0.7
91.13380	0.6
100.49049	0.7
101.02490	0.6
104.12727	0.6
123.59772	0.6
156.53529	0.6
162.09258	1.4
164.02740	0.7
190.08694	2.7
208.09795	19.2
208.11644	0.7
211.77051	0.7
349.66058	0.7
460.76263	0.6
522.33582	1.0
650.85950	0.6
684.24475	0.8
684.36084	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	684.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
72.99306	6.6
122.73296	1.5
162.09279	1.6
208.09804	19.8
217.19450	1.5
266.15591	1.5
310.18417	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	684.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76799	0.6
56.62847	0.5
59.01383	100.0
61.98833	2.8
65.39256	0.6
72.66466	0.6
72.99301	4.8
83.09781	0.7
90.76498	0.7
91.13380	0.6
100.49049	0.7
101.02490	0.6
104.12727	0.6
123.59772	0.6
156.53529	0.6
162.09258	1.4
164.02740	0.7
190.08694	2.7
208.09795	19.2
208.11644	0.7
211.77051	0.7
349.66058	0.7
460.76263	0.6
522.33582	1.0
650.85950	0.6
684.24475	0.8
684.36084	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	685.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30510	3.0
52.32613	2.7
65.47292	3.1
66.43686	2.8
84.55341	2.9
96.96001	12.4
106.73512	3.3
109.02938	5.3
111.04518	11.8
116.58729	3.0
120.34265	3.6
121.02917	3.2
125.02484	5.0
137.02419	5.8
139.04024	63.4
161.80058	3.1
164.01221	4.5
177.01945	39.5
179.03487	44.2
185.37993	3.9
223.59457	3.1
319.08173	6.7
331.82104	3.7
382.78146	3.6
411.77856	3.5
497.10925	100.0
597.53674	3.3
649.11334	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	685.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25769	0.5
51.32675	0.6
54.14005	0.6
59.81569	0.6
82.87656	0.5
88.98806	9.1
90.64304	0.7
109.81549	0.7
111.83794	0.7
151.00380	6.2
173.56351	0.7
178.99852	5.4
255.02995	5.0
271.02451	9.8
272.03345	0.9
283.02307	0.7
300.02762	100.0
301.03546	39.9
322.48962	0.7
595.13080	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.9
59.01386	18.0
60.01714	0.6
71.97267	0.6
72.99303	0.9
78.95906	8.7
79.95741	0.7
96.96009	100.0
96.96939	23.1
101.02422	0.7
116.92833	0.7
119.04979	0.9
121.02922	0.6
139.68172	0.6
156.67578	0.5
163.04022	2.7
192.27921	0.6
208.09747	3.4
209.10182	1.1
330.19589	0.6
531.95050	0.7
586.33887	0.7
625.32288	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	685.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64102	1.4
59.01385	100.0
61.09997	1.8
66.61272	1.6
113.72137	1.6
121.02954	40.9
145.29829	1.7
160.15672	1.8
170.25188	1.7
195.19601	1.6
206.30786	1.8
463.17328	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	685.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81690	1.9
59.01385	43.7
68.61170	2.2
71.01376	21.0
77.72264	2.0
79.11356	1.9
83.01392	55.0
85.02939	2.7
88.98795	2.1
89.02437	27.5
92.19441	4.4
108.39608	2.1
109.02966	2.3
113.02387	3.0
116.92853	2.2
117.05640	3.3
119.96313	2.0
121.02928	4.8
122.03748	14.3
123.04515	13.2
136.05305	3.8
137.02432	2.3
137.06064	13.6
138.03130	2.6
145.02953	23.4
146.03741	17.4
147.04512	9.1
150.03133	2.2
161.06067	27.5
162.03224	100.0
163.03972	2.2
165.01909	5.0
168.30748	2.2
177.05579	81.2
179.03484	3.0
191.05704	28.5
195.06664	4.2
209.08211	3.4
221.08144	4.3
255.10252	5.1
313.14432	2.7
313.17993	2.9
327.10675	3.2
331.19073	3.9
342.11050	11.8
356.12524	3.8
357.13419	56.5
361.81686	2.0
365.44308	2.6
373.26511	2.1
411.14636	3.7
468.13391	2.5
493.24338	8.2
493.31506	2.3
517.18677	59.5
523.19879	3.9
523.33313	3.0
685.24957	81.5
685.34930	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	685.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28955	0.6
59.01382	7.1
60.02435	0.7
63.75472	0.7
71.01380	3.2
71.33561	0.7
73.02968	0.8
83.01379	6.4
85.02939	1.7
89.02426	1.6
92.19372	1.4
95.01389	1.0
97.02947	4.2
99.00918	0.7
101.02433	4.4
109.02953	7.1
113.02469	3.0
113.04273	0.8
121.02948	3.2
122.03766	5.3
123.04543	10.0
125.02418	4.8
137.02431	4.6
139.04025	2.9
146.03761	1.0
149.02434	10.3
151.03992	4.9
159.04442	0.8
161.02470	1.4
161.06056	3.9
162.03221	3.6
163.04024	1.6
164.01189	1.0
165.01913	8.0
165.05528	1.8
176.01204	0.9
177.05537	1.3
179.03551	1.6
187.04004	1.6
189.05550	1.1
203.07097	8.5
205.05074	19.0
205.32640	0.7
221.08186	1.4
231.03003	1.8
245.08257	1.0
247.06125	10.3
289.07135	1.1
363.24921	0.9
515.08807	0.8
521.23846	1.7
533.23755	5.5
560.62396	0.8
580.40454	0.8
599.28931	1.2
622.84448	0.9
685.28760	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	685.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
63.77974	0.7
71.01371	2.2
73.02947	1.3
76.32808	0.8
76.36210	0.8
83.01382	5.2
85.02962	1.4
88.12037	0.9
89.02428	3.4
97.02925	5.0
99.89385	0.8
101.02456	2.0
109.02911	7.1
119.11042	0.8
121.02920	3.7
122.03713	4.7
123.04551	11.0
125.02431	5.6
137.02429	4.0
141.08833	0.9
145.99512	0.9
149.02443	10.1
151.04031	6.0
159.89667	0.9
161.02420	3.5
161.06036	3.7
162.03159	1.0
163.04001	1.8
165.01895	5.4
165.05556	3.9
171.53377	0.8
175.03958	1.3
177.05594	1.8
179.03496	1.8
187.03949	1.7
203.07095	5.9
205.05077	18.4
221.08192	3.4
231.02930	1.5
247.06151	10.3
521.23737	1.1
533.23865	1.5
685.28784	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	685.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
71.01375	1.6
79.55709	1.0
83.01369	4.4
85.02967	1.2
91.35237	1.0
97.02957	5.3
99.18573	1.2
101.02419	4.2
109.02955	6.9
113.02435	1.5
121.02938	4.7
122.03706	4.8
123.04531	10.0
125.02448	2.4
137.02460	3.9
138.03233	1.1
149.02455	10.3
151.04010	2.2
159.83128	1.3
161.02429	2.2
161.06075	5.2
163.04031	1.3
165.01913	6.3
165.05577	1.8
180.32617	1.0
187.03839	3.9
189.05533	1.1
190.02605	1.3
197.82878	1.1
201.05511	1.1
203.07182	7.9
205.05095	19.6
215.07245	1.5
221.08226	4.7
229.05231	1.5
231.02893	1.8
247.06186	10.8
275.16586	1.4
354.86954	1.2
444.63376	1.2
521.23755	2.3
533.24677	2.1
535.25195	1.4
685.28809	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	685.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50686	1.0
59.01377	7.2
61.72985	1.1
68.83342	1.1
71.01390	2.8
76.37724	1.1
83.01395	10.7
85.02905	1.7
93.26839	1.1
97.02953	1.9
101.02454	1.5
109.02946	6.4
121.02966	2.1
122.03761	8.0
123.04510	9.7
125.02450	27.4
135.04599	1.4
137.02457	47.2
145.02969	1.9
149.02432	11.4
150.03226	19.0
151.03986	8.5
161.06084	4.9
165.01929	13.1
165.05527	2.2
166.02759	1.8
174.08212	1.1
179.03453	2.0
183.47499	1.3
203.07146	7.3
205.05086	13.4
221.08177	1.4
229.05107	1.3
245.08109	2.2
247.06145	7.8
271.06174	1.2
289.07095	2.1
362.29358	1.3
413.98071	1.4
521.24139	1.7
533.24005	2.3
547.25531	3.0
685.28839	100.0
706.87152	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	685.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65162	1.0
57.03454	2.4
59.01390	2.3
78.95899	1.0
83.01385	5.4
86.58347	0.9
92.19473	1.5
94.18201	1.0
103.04037	1.3
109.02941	6.3
116.92822	1.8
121.02937	1.8
122.03722	5.7
123.04495	2.4
125.02446	54.1
137.02449	100.0
145.02962	7.0
149.02440	2.2
150.03220	35.4
151.03983	6.6
161.06046	1.0
164.01172	4.5
165.01912	23.5
166.02693	4.2
167.03447	2.0
179.03444	5.6
187.03856	0.9
203.07164	4.5
205.04973	1.3
245.08220	4.0
255.10083	1.0
271.06003	5.8
278.49451	1.0
280.61743	1.0
288.06323	1.0
289.07208	6.1
294.08356	1.2
462.18091	1.1
483.43640	1.1
526.12598	1.2
547.25958	6.9
685.28778	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	685.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39185	0.6
52.04607	0.8
53.93024	0.8
59.01386	18.0
67.84519	0.8
73.01517	0.7
83.01394	15.5
92.19411	0.9
109.02911	1.1
115.13570	0.9
121.02936	6.5
122.03722	4.2
123.04495	6.0
125.09988	0.8
136.05286	1.6
137.02489	1.2
137.06108	6.1
147.04546	3.3
148.73938	0.8
151.04108	0.8
151.07614	9.5
191.10548	0.9
195.06674	1.1
209.08209	5.6
217.08687	1.0
221.08122	1.2
231.10257	16.7
281.36804	1.1
286.21384	0.9
313.14532	10.0
313.18088	100.0
317.52939	0.8
327.16135	3.2
328.16928	8.1
342.11020	4.9
357.13443	22.0
447.21442	0.9
551.66638	1.1
685.30347	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52945	0.7
58.99974	0.7
59.01383	100.0
74.54513	0.9
112.53030	1.1
133.34102	1.0
201.31853	0.8
310.49185	0.9
313.18155	1.3
659.23682	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	685.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71444	0.7
55.01876	1.0
56.34267	0.6
57.03437	1.3
59.01099	1.5
59.01382	30.8
64.26131	0.8
71.01379	16.8
73.02943	8.5
75.68371	0.8
83.01376	4.9
85.02957	10.6
88.98799	0.8
89.02435	1.7
92.91032	0.9
96.96014	1.7
96.96976	1.9
99.00886	4.1
99.89024	0.9
101.02447	21.8
103.03945	1.3
113.02432	11.8
113.26183	1.0
121.02970	1.9
123.04552	0.8
153.05568	1.0
159.02942	1.1
161.04507	6.2
167.07124	4.0
176.66832	0.8
230.10344	0.9
301.21744	100.0
373.26230	1.0
463.27045	83.8
508.19916	0.9
547.02057	1.0
622.03003	1.0
625.32404	42.2
685.37122	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	686.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65749	0.8
54.87034	0.8
61.23152	1.0
61.98832	17.0
64.78752	0.9
65.04341	0.9
67.52460	1.2
77.91579	1.0
113.30791	1.1
146.69487	1.0
151.00377	1.6
243.03073	1.5
255.02798	1.4
271.02539	8.3
272.03241	1.9
285.04031	4.8
286.04544	1.2
287.05600	1.7
299.01953	29.2
300.02734	29.8
314.04340	53.2
315.01373	1.8
315.05124	82.1
623.16254	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	686.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22779	0.7
51.99022	0.8
61.98838	100.0
65.33131	0.8
72.02377	0.8
75.00872	1.2
78.57343	0.9
84.29677	0.9
85.03481	0.8
96.95998	0.9
112.52972	1.0
121.02972	1.8
173.87959	0.9
205.05138	1.0
466.86887	1.0
492.84390	1.1
513.04272	1.2
519.71155	1.5
525.59271	1.1
686.27643	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	686.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87390	2.6
59.01398	2.7
71.01383	23.0
89.02451	3.3
101.02457	3.1
146.08235	51.6
185.54362	2.7
246.59172	2.7
308.13562	4.5
345.90735	3.5
380.15616	100.0
391.50601	3.0
551.86871	3.0
606.63843	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	687.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01271	0.5
61.28685	0.5
89.02457	0.8
92.19521	0.9
93.03462	12.5
100.65570	0.5
103.54926	0.5
108.24540	0.6
111.04504	0.9
113.99334	0.6
132.94406	0.7
137.02451	100.0
155.03514	2.9
157.92357	0.6
173.04584	1.4
186.30096	0.5
191.05696	1.2
279.01309	0.7
279.10797	0.7
311.07742	32.2
321.86578	0.6
345.97568	0.6
418.21509	0.6
457.97076	0.6
585.57135	0.6
613.57025	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	687.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72862	0.8
54.41252	1.0
56.72478	0.9
59.01372	4.8
60.31475	1.1
71.01376	1.0
77.69279	1.0
83.01379	2.2
86.33661	1.0
89.02416	1.5
97.02945	5.8
101.02400	1.7
108.02168	1.6
109.02938	9.6
113.38774	1.0
116.64957	1.0
119.56918	1.1
120.92720	1.3
121.02920	2.1
122.03712	16.2
123.04543	9.4
125.02374	2.2
125.82066	1.3
135.04526	2.3
137.02460	16.1
138.03311	1.5
145.02937	1.3
149.02393	6.3
149.06067	1.7
151.03964	5.9
159.04425	1.3
161.02438	2.4
161.06029	7.4
162.03197	2.3
163.03998	7.1
164.01169	4.7
164.04778	2.7
165.01915	23.7
165.05586	2.5
175.07600	1.4
177.01936	6.3
177.05560	2.2
179.03508	1.9
187.03946	2.5
188.04691	1.1
191.03496	12.9
201.05527	2.0
202.06479	1.8
203.03505	1.1
203.07158	9.6
204.04300	1.2
205.05016	13.3
217.91197	1.2
217.93448	1.1
226.06381	1.3
229.05040	1.3
239.07281	1.5
240.07320	1.2
241.32001	1.1
244.07384	2.2
245.07881	1.1
247.06081	1.5
259.10004	1.3
283.06165	2.2
285.07718	5.1
297.07886	1.4
298.08521	4.4
299.09326	2.6
327.08804	6.8
364.43436	1.4
400.32648	1.1
469.15512	1.1
479.69495	1.2
535.18018	6.4
687.23047	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	687.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	87.3
62.56527	17.2
63.53542	20.2
82.55975	17.9
94.00888	17.9
102.68950	21.3
121.02940	100.0
154.60605	20.4
260.09192	20.2
271.47772	21.2
375.74725	19.7
444.60178	21.2
454.41116	18.8
661.34784	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	41.2
71.01378	29.5
84.50175	1.6
89.02441	41.1
92.19434	3.5
96.40408	1.9
101.02467	3.0
122.31216	1.7
131.03497	4.2
145.02896	3.5
149.02446	2.5
149.04553	9.4
150.03235	19.4
162.03223	93.9
164.04800	3.3
165.05553	27.5
175.28627	1.7
177.05571	100.0
190.06372	2.8
195.06654	9.6
205.08685	2.0
269.08170	2.4
281.08115	2.5
281.64209	2.0
289.07617	2.5
299.09131	3.6
311.09280	15.7
314.11636	28.9
326.11597	20.0
327.10785	8.2
329.13919	39.1
341.14069	21.1
396.78409	2.2
507.20325	2.7
639.24506	13.0
687.26794	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98814	1.2
68.28171	1.1
86.30380	1.1
88.70197	1.3
92.94518	1.3
93.36177	1.3
121.02962	77.8
123.54267	1.5
151.45993	1.3
175.79195	1.2
203.07097	1.3
246.49590	1.2
310.12045	2.8
325.14468	30.4
371.72858	1.5
385.16486	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	687.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01386	100.0
64.32869	1.0
69.03450	1.3
71.01379	30.9
73.02946	7.4
75.00877	2.0
81.45640	0.9
83.01389	1.6
85.02947	11.9
86.75809	0.8
89.02443	22.3
94.73938	1.1
95.01383	1.4
97.02930	1.5
99.00890	1.3
101.02448	21.2
105.07170	1.1
110.74747	1.0
113.02452	28.1
119.03475	10.1
119.05018	1.7
119.08634	2.2
121.06583	4.0
123.04510	1.6
123.08146	1.5
125.02455	1.9
133.06619	1.9
135.04517	1.6
135.08170	1.7
137.06078	1.9
137.09746	1.8
137.49138	0.9
143.03461	2.6
147.08240	1.4
149.06065	6.9
149.09726	6.7
161.04541	6.6
161.05797	1.0
165.09184	7.0
167.07120	5.4
177.09058	1.4
179.05661	3.7
179.07141	5.3
183.10136	1.9
183.24773	1.1
195.10281	1.9
210.31732	1.0
211.09782	10.9
221.58208	1.2
242.83385	1.1
255.13821	4.5
297.14847	3.7
315.16089	5.9
327.15808	2.6
345.17010	2.2
357.11761	1.2
365.23447	1.9
409.22711	1.3
507.22421	15.2
525.23413	23.1
549.23730	1.3
567.24304	5.8
585.25348	6.0
627.26501	6.1
627.36517	1.8
645.27563	2.1
687.28455	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	687.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.2
61.98836	28.6
68.65135	1.6
99.04518	48.7
112.42625	1.7
121.02952	100.0
134.16910	1.9
214.15337	2.0
257.08591	1.9
306.49890	1.7
439.66931	1.7
678.09290	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	687.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76610	4.7
59.01392	49.2
61.98833	23.0
65.69640	4.1
69.80618	5.1
71.01382	22.5
72.99284	4.9
73.73206	5.6
89.02440	5.4
92.19385	4.7
101.02447	21.3
121.02960	83.1
136.14629	5.3
137.02399	6.6
144.19881	4.7
149.69022	4.8
161.04669	5.5
165.01958	9.3
167.03481	7.4
167.07164	8.4
173.20093	5.1
208.09889	42.3
309.62762	5.2
481.31674	8.0
627.34363	47.0
651.62213	5.8
687.29773	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	687.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	6.2
61.98830	8.2
73.76359	5.8
101.02451	7.4
165.01889	32.0
178.31668	6.7
191.07179	10.9
208.09772	39.6
320.07281	5.9
494.84158	6.2
530.73480	6.3
627.33936	24.0
687.29932	96.3
687.40619	8.9
689.96954	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	687.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76610	4.7
59.01392	49.2
61.98833	23.0
65.69640	4.1
69.80618	5.1
71.01382	22.5
72.99284	4.9
73.73206	5.6
89.02440	5.4
92.19385	4.7
101.02447	21.3
121.02960	83.1
136.14629	5.3
137.02399	6.6
144.19881	4.7
149.69022	4.8
161.04669	5.5
165.01958	9.3
167.03481	7.4
167.07164	8.4
173.20093	5.1
208.09889	42.3
309.62762	5.2
481.31674	8.0
627.34363	47.0
651.62213	5.8
687.29773	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	687.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17983	1.6
59.01387	62.1
61.29809	1.7
61.98838	4.5
65.79971	2.3
71.01386	20.3
73.02953	3.3
75.00871	2.1
85.02935	3.9
85.39491	2.1
88.98811	3.3
89.02438	17.0
95.01382	2.2
101.02434	11.2
105.07092	4.0
108.05816	4.1
109.02980	3.0
111.04494	2.9
113.02439	7.9
113.06100	7.7
117.42055	2.0
119.03499	4.0
121.06567	2.2
123.04539	4.3
123.08122	3.3
125.06074	17.2
128.57034	1.8
130.10980	2.2
136.05270	2.7
138.06862	9.5
139.07663	24.6
150.06883	11.3
151.07634	47.5
152.04745	3.3
152.08383	20.5
153.05620	2.3
153.09216	15.9
161.04698	3.1
163.07605	7.6
179.05652	2.5
179.10834	13.6
186.10448	2.2
201.12871	16.4
204.11598	28.7
219.11801	2.2
219.13911	55.0
225.11229	2.0
254.88809	2.0
263.12903	100.0
301.03769	2.1
375.27521	2.5
423.22482	16.1
451.30804	7.7
627.33990	57.8
687.40039	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	687.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55682	0.3
56.52839	0.3
58.63575	0.3
59.01377	0.5
71.38014	0.4
91.03815	0.4
97.06590	1.7
101.02437	0.4
102.71196	0.4
149.06049	1.9
175.11307	2.2
191.14433	2.1
199.26746	0.4
203.14436	11.4
205.12329	0.5
219.13927	1.5
221.15486	3.2
235.13394	18.7
247.13397	46.9
247.77458	0.4
265.14459	100.0
344.52130	0.4
421.20770	1.6
675.04999	0.5
687.37329	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	687.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52934	1.5
57.03442	1.9
58.30798	1.2
59.01385	100.0
59.49014	1.4
61.98838	11.5
63.72218	1.5
64.96757	1.3
71.01385	36.4
72.99303	1.7
73.02931	2.3
75.00856	1.3
80.89644	1.4
83.01398	6.4
85.02943	6.8
85.88371	1.5
86.44910	1.7
89.02438	59.9
95.01414	1.9
96.96001	7.9
101.02448	27.8
103.24554	1.6
109.02959	1.6
113.02433	20.3
119.03490	21.4
123.04517	1.5
125.02433	2.7
137.05058	1.6
150.06848	2.6
161.04541	3.3
162.03157	1.9
167.07161	11.5
169.05017	1.9
179.05641	15.2
179.10719	6.5
191.05614	5.9
198.34801	1.5
301.03568	2.6
332.55231	1.9
345.22736	1.7
346.37128	1.7
375.27509	2.9
465.32535	1.8
543.23730	2.0
627.37677	93.0
687.25494	3.4
687.40179	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	687.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25332	0.3
57.03453	0.5
59.01377	4.3
61.98844	1.7
69.03460	0.9
71.05011	1.0
83.05015	0.4
85.06594	0.4
91.00487	0.4
95.04948	0.4
96.10765	0.4
109.06591	0.7
121.02975	3.1
126.56304	0.4
151.11411	0.4
159.62703	0.4
167.10837	4.3
177.12877	0.9
179.10735	2.2
179.14418	6.4
195.13902	13.2
205.12346	11.9
223.13400	100.0
445.63184	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	688.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.9
64.50307	4.0
68.48325	4.7
72.99301	38.9
73.02918	4.3
73.97469	4.1
78.04932	4.5
88.07076	3.6
91.05549	9.4
91.72069	3.7
94.26868	4.3
97.02943	4.8
97.39391	4.6
97.59055	3.7
101.02494	5.3
111.04501	6.4
112.50070	4.6
113.53761	4.2
119.05029	37.2
120.04524	19.2
121.02960	54.6
121.06549	8.1
132.04518	16.0
137.09750	5.2
139.07683	9.2
165.05469	5.3
165.09178	15.9
173.06073	4.4
175.04047	4.7
190.06302	5.2
193.08708	7.1
194.28741	4.3
204.06601	5.1
210.09244	46.4
222.09213	8.9
238.08754	98.4
266.08261	53.1
284.09286	100.0
297.56900	4.4
326.10266	72.3
331.15417	18.7
349.16510	6.3
628.25879	8.6
654.24249	4.8
688.31250	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	688.314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	37.3
62.23109	0.6
92.19440	1.3
111.57451	0.7
166.57182	0.8
193.53076	0.7
204.45378	0.8
303.96893	0.9
323.12729	1.2
324.13388	0.9
329.17593	100.0
330.18082	1.1
539.71814	0.7
688.31189	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	688.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66306	37.2
57.64574	41.2
59.01368	77.0
61.98837	100.0
70.87758	46.8
70.98583	42.2
75.00884	78.2
117.00191	48.8
133.11755	49.1
148.53662	45.8
149.57948	58.5
209.36092	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56563	0.2
59.01377	0.5
64.58288	0.2
66.49698	0.2
73.21378	0.2
79.33141	0.2
99.38152	0.3
105.13715	0.2
105.52367	0.2
107.94735	0.2
108.02174	12.7
109.34972	0.2
123.04514	19.0
138.67470	0.2
152.01151	20.7
164.04660	0.2
167.03494	100.0
177.01942	0.5
181.39008	0.2
256.95438	0.3
307.09750	0.3
329.08804	29.6
664.43542	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	689.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36905	8.8
59.01395	8.9
64.31767	9.1
66.99632	8.3
69.06032	10.7
75.29942	10.2
77.36283	8.2
121.02950	100.0
147.56616	10.1
223.13484	11.1
255.23302	15.8
275.22238	11.5
301.44357	9.8
306.40219	9.5
482.91537	11.4
609.88184	10.9
689.26575	15.2
689.39905	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	689.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59739	3.2
58.17777	3.0
58.40051	3.0
59.01390	61.6
67.51737	3.0
68.69955	3.5
71.01381	20.1
75.00179	3.2
81.71053	3.2
83.24519	3.4
85.02976	4.5
89.02443	32.4
98.59006	3.6
109.60750	3.6
121.02935	5.4
125.02472	4.0
145.02979	14.2
149.04459	4.2
150.03287	3.5
157.79427	3.9
161.06081	6.0
162.03230	100.0
162.20277	3.8
165.01906	4.0
165.05582	33.0
167.07130	5.2
177.05573	88.3
179.07202	3.7
195.06570	5.7
209.08151	4.7
275.32300	4.3
329.14011	5.1
361.16574	43.8
432.51074	4.2
521.22101	25.5
689.28345	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	4.5
59.01385	96.0
81.66953	2.6
109.02968	3.8
121.02953	100.0
123.04517	3.5
161.30255	2.3
264.50186	2.5
408.53201	2.9
630.56738	2.9
689.29547	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	689.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12646	0.8
58.96673	0.8
59.01386	62.5
59.61987	0.9
67.66208	0.9
75.94520	1.0
87.53933	0.9
92.20016	1.4
103.04008	25.3
115.04192	1.2
121.02954	100.0
128.92189	1.1
138.67102	1.0
147.04440	1.2
152.18704	1.0
159.36766	0.9
160.32762	1.0
204.94708	1.1
247.13344	4.3
343.15405	2.2
361.16550	2.5
413.05182	1.2
470.44714	1.0
477.21255	5.8
587.24390	1.8
629.26324	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	689.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15438	1.2
59.01388	100.0
63.22083	1.3
64.60988	1.5
64.77129	1.3
81.91214	1.3
121.02952	55.9
527.22803	2.6
587.16479	1.7
587.24933	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	689.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70969	0.8
59.01386	100.0
61.48976	0.8
63.41145	0.8
65.06226	0.8
66.15038	0.9
69.10241	0.7
92.19421	1.1
94.26282	0.8
95.59592	0.8
121.02956	75.4
131.33543	0.9
148.36659	0.8
464.58133	0.9
689.28839	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	689.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	3.1
59.01387	74.2
60.46029	1.7
103.04021	25.5
121.02953	100.0
144.82800	2.2
152.89822	2.1
156.16743	1.9
164.34030	2.0
183.05045	2.0
189.56961	2.0
198.34776	2.1
477.21127	9.7
503.54694	2.2
528.22937	2.3
587.25061	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	689.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22704	1.2
59.01385	100.0
71.01382	31.7
72.99347	1.6
85.02946	7.3
89.02438	54.1
99.46843	1.7
101.02437	21.5
101.96801	1.4
113.02432	17.5
119.03529	19.2
125.02417	3.3
131.49811	1.7
137.02325	1.7
139.49472	1.6
143.03497	2.9
148.66710	1.6
161.04587	2.0
177.01939	2.2
179.05597	15.5
191.05618	6.5
227.93459	1.5
283.17203	1.8
329.17712	1.8
347.18466	1.7
355.75208	1.7
467.22873	8.8
509.24329	3.0
527.25342	2.5
553.16992	2.0
569.26062	3.2
587.26715	10.2
629.28131	61.4
689.18195	2.1
689.28436	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	689.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38215	4.3
71.48539	4.3
75.45033	4.1
83.57001	4.9
95.05018	5.2
96.71596	4.4
116.68540	4.5
129.10930	4.5
139.04004	32.9
146.22534	5.5
149.17372	4.8
150.06897	6.5
162.68275	4.5
167.07094	4.4
193.12314	18.5
221.11824	100.0
249.11414	5.4
257.72897	4.9
284.13834	6.4
289.18127	7.4
299.16522	48.8
301.18182	7.9
317.17538	50.6
327.15939	5.9
329.17636	18.5
333.17126	6.1
343.15359	20.5
361.16528	30.6
689.33588	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	689.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18161	1.3
56.53687	1.6
59.01376	3.1
59.82392	1.2
61.98799	1.8
64.85228	1.2
68.19562	1.4
71.01400	1.7
73.39062	1.4
89.02454	2.7
101.02406	3.3
123.76939	1.5
247.97923	1.6
255.23358	14.2
298.85965	1.7
397.13614	13.1
415.14844	2.0
483.04340	1.8
489.78830	1.6
495.83942	2.2
653.37958	8.9
689.23389	3.3
689.35388	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	689.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
63.58411	0.7
68.33912	0.9
75.08263	0.8
101.12003	0.9
102.41053	0.9
111.04660	0.9
121.02948	4.5
125.02426	6.5
144.08510	0.9
152.99545	1.2
182.38106	0.9
223.13443	2.0
255.23322	9.5
309.24161	1.2
333.24121	1.4
351.25375	5.9
395.24405	100.0
573.16687	0.9
689.41583	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	689.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.63793	0.4
60.63150	0.4
81.03467	6.1
125.02433	30.8
151.00293	0.6
153.25168	0.4
158.61263	0.5
165.49202	0.6
171.10197	0.9
249.18439	0.8
265.21823	0.6
271.20642	2.4
289.21735	5.2
291.19693	1.2
295.22690	2.5
313.24005	11.2
331.18832	0.7
331.22806	21.2
349.23911	1.2
357.20764	0.6
375.21786	92.4
393.22897	5.3
444.43802	0.5
689.46448	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	690.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07935	0.7
61.98838	100.0
71.21276	0.6
82.36813	0.7
87.00903	0.7
121.02991	0.9
164.45659	0.8
615.03491	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	691.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32334	1.3
66.72840	1.3
68.18473	1.6
96.95995	11.8
102.52888	1.5
103.45355	1.3
107.11432	1.7
122.06135	6.7
125.02424	2.0
132.04539	2.8
134.06117	2.1
148.04031	14.9
150.05576	19.5
161.04819	1.9
176.03517	2.0
178.05124	2.9
179.12515	1.6
184.05989	2.6
192.02995	12.9
194.04579	22.7
200.07310	2.2
212.10834	3.0
230.11902	5.7
231.11374	4.0
255.11389	26.9
273.12448	6.4
343.09311	3.3
361.10706	2.7
379.11487	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	691.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.17192	0.6
64.56889	0.6
71.01386	2.9
73.02937	1.1
85.02941	1.2
87.00890	1.1
89.02437	1.0
93.94871	0.6
101.02437	1.3
107.05032	1.1
108.02177	25.0
109.02943	19.5
113.02425	1.3
121.02908	1.3
123.04491	1.0
134.03749	5.3
135.04532	65.1
135.38939	0.6
139.04019	2.9
147.04497	3.5
151.04007	3.3
152.01157	51.6
153.01936	31.8
163.03995	1.3
165.01965	2.7
165.05585	13.0
199.08453	0.7
219.44307	0.6
297.09848	19.8
315.07251	100.0
327.10751	5.3
345.08359	1.2
345.12146	0.8
461.82510	0.7
686.71362	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	691.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59745	0.3
57.03459	0.7
57.20938	0.4
58.19586	0.3
59.01394	0.5
59.94071	0.3
65.54914	0.4
71.01372	0.6
71.41222	0.3
81.03464	1.7
83.01383	0.9
89.02427	0.6
95.05005	2.0
97.02934	5.1
101.02420	0.5
103.04031	0.5
109.02950	19.7
121.02952	1.8
123.04509	10.4
125.02430	21.4
135.04504	0.9
137.02437	9.0
138.03220	0.6
139.03996	3.2
149.02440	4.2
150.03200	0.7
151.04001	10.0
153.05585	4.4
159.04514	2.0
161.02426	1.0
161.06065	5.9
162.03210	1.7
163.03989	0.9
164.01172	3.0
165.01956	5.5
165.03226	0.6
167.03496	3.2
171.79649	0.4
173.06059	0.5
174.03134	0.6
175.04002	2.5
175.07620	1.0
177.01939	2.0
179.03491	9.4
185.06137	0.8
187.04050	5.7
188.04796	4.4
202.06433	3.4
203.07150	19.9
203.09026	0.7
205.02098	0.5
205.05063	13.9
212.04897	0.7
217.05019	0.4
217.08662	1.9
221.08205	5.7
222.45441	0.4
227.07164	2.5
230.05753	0.6
231.02861	0.7
245.08182	20.8
247.06142	1.9
271.06009	1.6
278.61383	0.4
289.07187	100.0
347.26151	0.4
401.14478	3.8
493.91174	0.4
523.16229	0.9
651.68573	0.5
691.20599	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	691.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32101	2.2
57.53885	2.3
58.97578	2.3
59.01382	68.4
61.61523	2.6
62.77938	2.5
71.01375	47.7
85.02944	5.2
87.00832	3.0
89.02444	81.1
90.72675	2.9
93.03434	3.8
101.02457	32.4
113.02444	28.9
119.03546	32.1
119.05024	41.1
122.03719	5.4
135.04512	19.7
137.18620	3.3
143.03423	4.3
146.03749	4.3
147.04518	100.0
152.12772	3.2
161.04533	7.1
165.05550	19.1
179.05602	56.3
273.16113	2.9
327.10916	52.6
329.08704	7.2
345.11859	18.9
350.27328	3.9
507.09277	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	691.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32101	2.2
57.53885	2.3
58.97578	2.3
59.01382	68.4
61.61523	2.6
62.77938	2.5
71.01375	47.7
85.02944	5.2
87.00832	3.0
89.02444	81.1
90.72675	2.9
93.03434	3.8
101.02457	32.4
113.02444	28.9
119.03546	32.1
119.05024	41.1
122.03719	5.4
135.04512	19.7
137.18620	3.3
143.03423	4.3
146.03749	4.3
147.04518	100.0
152.12772	3.2
161.04533	7.1
165.05550	19.1
179.05602	56.3
273.16113	2.9
327.10916	52.6
329.08704	7.2
345.11859	18.9
350.27328	3.9
507.09277	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	691.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47751	0.6
59.01392	0.9
71.01382	0.8
81.03442	1.4
83.01379	1.2
85.02864	0.6
90.16404	0.7
95.05009	1.0
96.96021	1.3
97.02943	4.3
109.02937	20.1
121.02941	1.6
123.04503	7.1
125.02435	18.4
135.04535	1.3
137.02449	8.7
139.04013	1.7
141.60347	0.6
146.03850	0.8
147.38394	0.8
149.02448	4.8
151.04007	11.0
159.04523	1.2
160.05234	0.8
161.02429	1.2
161.06039	2.9
162.03195	1.2
163.03998	1.1
164.01149	1.6
165.01936	5.9
166.02611	0.9
167.03496	3.4
175.03973	4.0
179.03470	7.4
187.03981	4.2
187.07565	0.7
188.04800	3.7
202.06422	1.7
203.07166	19.2
203.76228	0.8
205.05066	12.7
221.08221	4.5
227.07079	3.5
230.05780	1.1
245.08174	24.0
247.06062	1.3
271.06177	1.0
275.41302	0.8
289.07184	100.0
333.47443	0.8
362.38934	0.8
401.17944	1.5
412.15140	0.7
489.08029	0.8
687.58466	0.7
691.16846	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	691.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15124	0.4
61.66025	0.5
77.80471	0.4
88.06380	0.5
89.59559	0.5
121.02951	100.0
259.20554	0.5
278.49020	0.6
497.35776	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	691.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37130	0.7
69.54922	0.7
101.52531	0.7
122.23793	0.7
133.41354	0.7
142.58289	0.9
149.02443	0.9
199.33659	0.7
199.65240	0.8
200.76712	0.7
209.99724	0.7
253.13628	0.9
268.03778	100.0
269.04572	23.2
281.04651	0.8
311.05655	0.9
341.06766	0.9
368.45947	0.7
691.31299	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41636	0.9
54.52486	1.1
56.96305	0.9
59.01382	20.9
61.98835	3.8
68.93397	1.0
70.09027	1.1
71.01389	11.0
82.59265	1.0
85.02997	1.4
87.00888	1.4
89.02444	16.3
91.39940	1.1
92.19417	2.2
93.22135	0.9
97.02914	1.8
99.00865	1.4
101.02430	12.1
112.23680	1.1
113.02425	6.7
119.03470	1.9
121.02929	2.4
125.02427	4.4
127.54228	1.0
135.32512	1.0
135.62711	0.9
138.16174	1.0
143.03554	1.6
161.04556	1.9
164.29823	1.0
179.05568	1.4
195.13942	13.1
196.14589	1.6
223.13411	9.8
235.08139	1.5
252.19339	1.2
275.20111	6.3
293.21240	100.0
375.21848	1.4
397.13553	25.7
415.14563	36.8
578.97559	1.3
654.53186	1.3
691.35443	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	691.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06647	4.8
63.24849	4.5
64.99476	4.4
65.12706	4.5
75.69696	5.1
78.95901	6.6
110.12901	5.4
111.08144	21.9
152.99632	5.5
154.38464	5.2
197.11807	64.4
211.13412	7.1
291.19617	10.2
309.20740	100.0
528.82568	5.6
551.51251	5.6
595.43396	6.3
602.65344	6.9
653.66010	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	691.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49386	1.1
79.84265	1.3
100.72370	1.2
110.30151	1.3
120.32920	1.1
122.03677	1.3
125.02436	13.2
195.13811	2.0
223.13403	7.7
249.18619	5.6
291.23279	2.2
313.23837	12.8
315.23346	2.1
333.24405	20.7
354.50757	1.2
359.22324	2.8
377.23334	100.0
395.24426	5.3
515.05396	1.3
691.48096	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
60.14193	1.6
61.98835	100.0
64.19199	1.5
89.02442	1.5
91.02914	1.4
94.92834	1.3
98.28785	1.9
99.26759	1.3
121.02953	2.3
146.49284	1.5
211.13570	1.6
213.61295	1.6
278.11963	1.6
294.21423	2.0
402.91595	1.6
645.08423	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	692.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19775	1.7
51.14025	2.1
52.72494	1.9
57.47514	1.9
59.01379	14.6
61.98838	100.0
80.05330	1.8
83.35016	2.1
115.88785	2.2
119.31200	2.3
120.14365	2.1
121.02945	11.0
122.03279	3.2
125.02432	2.1
151.00668	2.0
161.35759	2.2
162.37993	2.1
179.39798	1.9
235.58185	2.3
269.95926	2.5
288.13019	2.6
445.64880	2.1
513.22986	2.4
653.56311	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	692.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49401	0.8
59.01385	16.8
60.01722	1.7
61.01806	1.4
61.98835	100.0
62.66196	0.7
65.91204	0.7
70.26726	0.9
92.19379	1.8
92.38078	0.9
121.02940	14.2
122.03290	5.3
123.03403	0.9
176.61403	0.9
211.44145	0.8
234.46219	0.9
253.19484	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	692.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23179	0.6
59.01379	3.8
61.98835	100.0
66.46956	0.5
76.38819	0.5
89.02480	0.6
103.04008	0.8
107.80251	0.5
115.99398	0.5
121.02933	5.1
122.03310	0.8
122.63860	0.5
351.15762	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	693.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49809	0.7
57.42159	0.9
58.95130	0.8
65.52705	0.8
88.05968	0.9
109.34724	0.9
121.02956	4.9
141.09230	100.0
185.08195	59.4
252.18517	1.0
290.02182	0.9
396.71933	1.3
473.31409	0.9
486.06726	0.9
494.86646	0.9
648.76953	1.1
648.87695	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	694.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45631	0.5
71.01378	7.7
72.99308	1.0
76.49226	0.5
84.78915	0.4
97.22145	0.5
103.09260	0.5
115.00378	4.9
134.03755	12.3
137.02434	0.7
146.53238	0.6
149.06075	21.2
162.05531	0.6
178.02699	9.3
188.00761	0.6
193.05070	100.0
208.06116	2.0
222.07652	2.4
312.65475	0.6
355.10349	17.3
380.71738	0.6
453.10498	6.8
471.11359	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	694.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55052	45.0
59.01392	100.0
64.14886	44.8
69.42936	40.2
83.58785	43.3
99.36859	44.2
170.15498	48.6
196.42105	49.7
219.73836	50.0
306.65143	44.4
345.07816	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22781	0.9
58.06562	0.9
68.19909	1.1
84.74104	1.0
101.44077	1.1
117.03452	4.8
119.05025	23.1
123.25287	1.1
125.02513	1.6
134.03755	5.6
137.02408	1.4
145.02962	100.0
149.06085	9.3
161.02425	1.4
161.04544	1.3
163.04021	22.9
175.06123	2.5
178.02704	11.4
193.05072	34.5
243.02998	8.2
255.03087	1.2
339.10873	78.6
355.10434	13.4
395.85336	1.2
695.14838	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	695.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08286	2.3
55.24526	2.6
58.26130	2.3
58.64337	2.6
59.01375	12.5
64.72078	2.2
87.08083	2.5
91.70167	2.8
108.93336	2.5
111.45281	2.7
123.04483	13.5
127.81706	2.6
206.56223	2.6
264.11560	10.6
279.10266	30.8
292.11166	5.1
307.09763	30.3
307.13388	38.1
315.12589	18.7
322.12125	100.0
570.41144	3.4
668.54431	3.5
695.25043	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86544	0.5
62.90203	0.4
71.01376	11.5
115.00393	5.5
117.03469	1.2
134.03740	29.0
149.06059	8.8
171.68791	0.5
178.02730	3.2
181.99384	0.5
193.05070	100.0
227.94881	0.6
309.06180	12.2
442.72003	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	695.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54648	0.7
59.01387	100.0
89.12827	0.8
92.20100	1.4
99.02956	0.7
160.32571	0.8
180.42877	0.9
699.46216	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	695.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49695	0.6
59.01384	100.0
74.45795	0.7
79.23842	0.7
85.07801	0.7
144.85233	0.7
355.67520	0.8
534.00458	0.8
561.48145	0.8
607.25378	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	695.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68696	12.5
91.00084	15.0
92.20068	46.2
108.48387	15.3
112.10276	13.8
121.02918	72.8
122.03268	33.3
147.92389	14.1
192.14034	14.8
211.76845	13.8
263.83185	16.9
267.73792	14.0
275.86334	16.9
695.29950	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	695.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27804	0.6
53.85588	0.7
55.86092	0.6
59.01384	100.0
67.63277	0.7
68.84810	0.7
78.95914	10.9
128.06271	0.8
148.78093	0.7
164.52393	0.8
169.07877	0.8
175.71185	0.8
183.32997	0.8
286.27890	1.0
471.57391	0.8
515.31165	0.9
695.31342	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48455	5.0
59.01384	100.0
60.11804	4.9
79.25381	5.4
97.18872	5.7
107.29753	5.8
110.95002	5.3
114.50446	6.1
116.31570	5.1
133.05078	63.8
147.01535	5.5
243.03166	10.4
282.04068	5.3
297.24619	6.8
384.53314	5.5
411.73621	5.8
529.04468	5.7
552.42194	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	696.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19357	1.3
53.52487	1.3
58.59283	1.4
59.01385	100.0
61.98811	1.8
63.35445	1.4
72.99308	42.8
77.27390	1.4
88.02005	1.3
92.19454	3.2
96.95957	2.4
137.16048	1.3
162.09273	7.8
190.08725	23.7
200.40895	1.4
208.09805	81.6
410.76584	1.5
636.28314	17.4
654.29480	3.4
696.30463	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
62.03028	0.3
67.01891	0.4
71.01378	1.5
87.24145	0.3
93.03450	9.2
109.03037	0.4
111.00947	0.5
111.04505	3.4
115.04006	0.3
116.32577	0.3
123.04509	3.3
135.04529	2.3
137.02425	4.3
141.39127	0.3
155.03505	5.7
158.79152	0.3
161.02446	11.8
161.03787	0.4
167.03488	18.6
173.04546	100.0
176.45174	0.4
179.03543	2.4
182.29187	0.3
191.05663	0.5
279.68500	0.3
295.15225	0.3
316.27063	0.4
341.08783	44.6
355.10367	9.3
501.80215	0.3
510.61722	0.3
523.52588	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	697.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	32.4
70.39372	4.6
111.11312	4.3
112.60303	4.1
120.15312	4.8
121.02956	100.0
145.02968	24.2
168.61903	3.8
332.58685	4.3
398.39557	4.3
643.24298	9.5
697.22925	63.3
720.12323	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	697.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53364	1.3
59.01375	7.4
65.01263	1.5
71.01384	16.9
73.02929	2.8
83.01375	7.3
85.02923	3.5
89.02424	3.3
93.03455	16.6
99.00915	2.3
101.02422	3.9
102.97307	1.7
109.02971	2.5
111.00860	25.5
115.00359	9.2
121.02947	2.4
125.02393	3.6
133.01410	8.2
134.03740	14.4
135.02960	1.8
145.02968	2.0
145.06586	2.2
147.06610	2.0
149.02391	3.8
149.06058	3.2
159.04501	2.3
161.04572	12.6
163.04016	4.0
164.04823	19.5
167.03426	1.9
171.04405	2.2
173.06001	2.2
188.52185	1.9
193.05075	47.9
193.07013	6.1
195.08145	25.9
197.06027	2.1
197.09721	23.1
208.03734	1.6
211.07632	2.9
215.03465	1.8
217.05016	8.7
223.05997	39.4
223.07645	84.6
231.06641	4.1
232.86020	1.9
237.09180	11.0
239.10780	43.1
241.08704	100.0
244.91461	1.9
247.18047	1.6
255.10211	6.9
265.08704	40.5
267.06525	11.2
283.09824	15.6
285.07654	28.9
301.45529	1.8
309.07794	31.5
323.09821	2.7
323.13498	1.9
327.08853	4.0
339.07147	10.0
340.09567	2.4
355.11917	4.1
373.13089	16.6
420.91763	2.1
443.13419	2.1
459.16632	2.8
461.14502	35.5
503.15604	60.3
535.18066	2.8
547.30042	1.8
579.20795	3.7
651.65869	2.1
697.23517	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18024	1.5
58.45323	1.6
58.73083	1.5
69.31055	1.5
70.13168	1.7
71.82765	1.5
82.19057	1.6
99.00845	1.8
109.02952	15.6
116.92807	3.0
123.04522	56.6
135.04501	2.5
147.04559	2.4
149.06076	8.2
161.06020	2.1
170.70616	1.8
187.10899	1.8
187.94386	1.7
205.05058	6.7
207.02989	2.9
221.04587	2.9
281.83548	1.7
311.09256	10.6
311.89679	1.8
329.17609	100.0
339.08618	4.0
357.09818	76.9
389.26083	1.7
510.73590	1.9
542.53778	1.9
666.30670	2.0
697.25714	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	697.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65801	0.6
63.79617	0.6
65.96017	0.6
71.01376	12.7
115.00373	5.2
117.03384	1.1
126.78595	0.7
134.03743	33.5
135.04164	0.8
136.04352	0.8
141.55574	0.7
149.06088	9.9
152.47768	0.7
165.42442	0.7
178.02716	3.8
193.05072	100.0
194.05396	4.3
309.06168	13.1
421.53857	0.9
602.63763	1.0
629.24225	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	697.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98000	0.7
59.01372	5.5
59.88881	0.7
64.61080	0.7
71.01372	6.2
73.02949	5.0
85.02937	0.8
89.02438	4.3
90.93192	0.7
101.02434	7.8
109.02919	1.5
111.00932	1.1
111.04504	1.7
113.02437	3.5
119.03578	1.3
125.02379	1.0
135.49438	0.9
139.04012	7.9
141.09230	1.6
145.27689	0.9
161.04427	0.9
164.01126	1.0
179.03477	4.3
193.05103	0.9
197.09854	1.0
197.11783	4.0
215.12895	21.4
223.05888	1.7
223.07712	3.7
226.09726	0.9
239.10802	1.6
241.08661	6.1
265.08569	1.4
285.07605	1.1
296.10690	0.9
309.08008	0.8
319.08136	3.8
329.45670	0.9
355.75919	0.8
377.18207	100.0
496.25439	0.8
503.15515	1.9
624.09473	0.8
697.23834	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	697.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47283	0.7
59.01384	100.0
60.71535	0.8
85.18132	0.7
96.44765	0.9
97.62811	0.9
117.22416	0.9
185.82022	0.9
526.78320	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	697.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39548	0.5
59.01383	100.0
61.04271	0.6
63.94342	0.6
66.80700	0.5
81.50166	0.6
82.83954	0.6
84.46813	0.6
91.72919	0.6
92.20027	1.0
408.65570	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	697.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10147	1.7
59.01392	13.5
60.28358	1.6
70.28997	1.6
71.01380	13.3
73.02946	2.9
83.01385	2.8
85.02957	7.4
87.00848	6.8
88.46815	1.7
89.02457	7.0
101.02452	17.2
109.35069	1.5
109.91888	1.4
113.02449	9.5
119.03488	2.4
125.02435	2.9
154.95134	1.7
174.11870	1.8
222.40692	1.6
258.44104	1.7
305.02744	1.8
497.27499	2.0
499.29169	100.0
697.32263	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.5
63.38185	2.2
65.87010	2.3
71.01374	11.0
73.02947	3.0
78.55923	2.4
85.02944	2.5
89.02434	3.1
97.02898	3.8
101.02428	13.2
113.02425	3.2
125.02425	2.8
125.09718	13.8
170.35176	2.4
185.11781	2.9
187.14874	3.2
204.28922	2.4
209.11757	6.2
213.12871	9.6
231.13911	24.4
249.14803	3.6
265.66315	2.6
307.17773	2.5
339.23367	4.7
373.24030	2.7
383.22336	19.4
401.23364	17.8
543.60199	2.9
619.31287	100.0
637.32556	35.5
697.34351	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	697.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99306	2.7
59.01384	16.5
60.68466	2.8
62.22089	2.7
69.03465	3.7
77.95452	3.0
99.29643	3.0
101.20118	3.0
134.03734	16.5
141.72993	3.1
156.40741	3.5
162.43965	3.4
167.10794	3.8
177.09163	16.6
179.14468	5.4
180.11067	3.5
193.05003	21.8
193.23943	3.8
195.10294	37.2
195.13904	27.1
205.12303	13.7
223.13388	100.0
459.22488	20.8
619.31543	7.8
637.32660	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
62.02172	1.0
69.00256	1.2
71.58888	0.9
84.63155	1.0
84.64548	1.1
92.20065	2.0
137.09709	6.4
155.10777	100.0
181.08702	1.6
199.09769	71.8
213.46165	1.1
338.70160	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	697.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83472	2.6
64.16686	3.2
117.17731	3.3
125.02422	39.4
152.99512	4.2
165.52138	3.1
212.59271	3.4
285.20703	21.2
307.23386	3.2
331.22717	14.9
351.04343	3.4
358.70844	3.5
375.21796	94.0
393.22787	6.2
426.46741	3.6
455.09045	3.8
661.43359	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	698.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76154	0.7
54.71449	0.7
59.01365	5.1
63.29417	0.9
64.03075	0.7
69.21647	0.7
74.80894	0.8
117.03446	0.8
122.37093	0.8
149.02446	0.9
151.00333	1.1
189.40912	0.8
194.88293	0.9
216.35263	0.9
223.09613	1.0
234.97545	0.9
237.78970	1.0
257.02118	1.2
269.04550	100.0
345.76572	1.0
698.30420	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	698.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47928	0.3
59.01389	3.8
59.10791	0.3
71.35743	0.3
72.99303	0.6
73.40079	0.3
74.40792	0.3
79.22356	0.3
89.02428	0.5
104.02812	0.4
113.02427	0.3
123.04519	28.3
127.17291	0.3
150.16037	0.3
153.05569	100.0
190.08748	2.1
201.33281	0.3
208.09810	9.9
250.10847	1.9
293.08759	1.7
325.49454	0.3
447.15121	43.1
608.51318	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	698.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.3
60.01699	1.4
61.01807	0.8
61.98837	100.0
71.28325	0.5
78.95921	0.7
97.03070	0.5
272.05579	0.6
284.86081	0.6
292.16940	0.5
658.65930	0.7
698.31995	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	698.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12867	0.8
52.53262	0.8
58.45127	1.1
59.01386	100.0
133.44907	1.0
145.23546	1.1
201.43173	1.0
290.62106	1.1
560.10901	1.1
665.42194	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	698.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32846	0.7
52.60896	0.6
59.01386	100.0
68.09324	0.6
71.38066	0.7
105.58519	0.8
112.27029	0.8
153.31158	0.9
247.62236	0.8
547.09686	1.0
647.26593	1.0
672.34247	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	698.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72203	1.1
59.01386	100.0
71.08703	1.1
101.60175	1.2
103.41733	1.5
117.33578	1.2
126.52657	1.2
188.89555	1.5
204.49757	1.3
246.32428	1.5
348.70020	1.4
372.25702	1.6
547.36652	1.5
553.13507	1.4
575.19934	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	699.1369
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
59.01360	4.5
73.02941	1.3
81.83043	1.3
87.37430	1.3
89.02422	1.3
117.03454	6.2
117.05508	1.9
140.79694	1.2
151.00333	7.2
181.08620	1.4
248.88438	1.2
309.04068	34.7
331.06128	12.2
333.04327	1.8
335.02066	1.8
343.69907	1.4
375.05075	24.7
385.07101	5.4
399.05273	2.8
417.06207	5.7
443.04114	9.3
467.84720	1.4
519.07324	42.8
537.08252	42.3
699.13660	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	699.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88553	0.6
53.88734	0.7
59.01387	87.3
64.66324	0.7
71.01389	13.8
73.02943	10.9
75.02010	0.6
85.02937	3.0
85.40645	0.6
88.75198	0.6
88.89157	0.6
89.02451	16.8
92.19993	1.0
93.03463	2.9
101.02450	10.3
101.25870	0.6
108.72131	0.6
113.02468	5.3
117.03458	8.2
117.05575	29.0
119.03504	7.6
134.83752	0.7
143.03523	0.7
151.00406	0.8
159.04469	5.3
161.04558	3.6
165.01929	0.7
173.04535	1.3
179.05620	12.9
203.03537	3.6
241.28716	0.7
307.06210	1.5
309.03897	0.7
331.06232	15.9
333.04221	1.2
374.04346	8.3
375.05145	100.0
399.05127	12.0
401.02945	6.7
416.05325	1.1
417.06271	22.8
434.97281	0.9
443.04080	7.1
519.07269	1.3
537.08643	6.3
579.11621	3.2
639.34119	1.5
699.13733	98.1
699.33685	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	699.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56322	0.5
67.29359	0.6
68.80588	0.5
83.57904	0.5
88.98797	2.8
103.63734	0.5
138.17087	0.5
151.00349	5.3
178.99893	4.5
194.02127	0.7
255.03026	3.9
271.02472	6.5
283.02115	0.8
300.02762	100.0
301.03549	31.0
367.21259	0.6
478.02887	0.6
609.14703	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2456
Annotation	CHEBI:70667
Peak:m/z	Relative Intensity
55.91051	1.4
59.01377	3.9
59.62358	1.3
60.88844	1.5
66.52306	1.4
77.88337	1.5
83.01386	3.2
83.10689	1.6
99.75983	1.5
107.85559	1.5
121.02918	2.1
179.03697	1.9
203.07230	1.7
205.05072	1.9
240.71388	1.6
242.05728	1.8
255.06622	2.7
256.07437	6.5
257.08154	2.0
258.08893	3.9
264.64987	1.7
267.06729	2.8
270.08826	1.7
288.06369	2.4
290.07645	1.9
301.46909	1.7
415.45294	1.7
463.13983	2.7
464.14874	1.8
477.15445	2.1
489.15689	6.8
503.16916	7.4
699.24524	100.0
728.48254	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	699.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82729	0.3
75.33333	0.3
84.75344	0.3
133.01425	1.2
134.03741	5.1
135.04497	0.3
149.06064	5.4
178.02710	6.2
181.08708	100.0
193.05066	23.0
200.33138	0.4
255.51775	0.3
309.36893	0.4
343.13989	34.0
355.10355	6.4
409.08981	0.4
460.65167	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	699.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19901	0.5
54.38593	0.6
59.01384	100.0
63.50283	0.6
71.01383	4.4
75.00594	0.7
81.14475	0.6
85.02944	0.8
85.87917	0.7
88.98824	0.9
89.02439	5.5
91.30544	0.7
92.20240	1.1
101.02448	4.0
107.19794	0.7
113.02439	4.2
116.92864	0.7
119.03503	1.6
125.02441	0.9
142.83844	0.7
146.59248	0.8
152.03517	2.7
161.04524	4.2
167.07114	1.7
181.08708	37.4
185.10295	0.8
191.05695	0.9
221.06676	5.6
355.25107	0.8
373.26019	8.5
447.33536	0.8
456.89548	0.8
477.25070	0.9
501.25031	1.5
517.30212	1.0
519.06732	1.0
584.31091	0.7
639.30212	8.4
654.51385	0.7
699.31299	3.5
699.39838	6.4
714.51270	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	699.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71946	1.0
59.01385	100.0
62.98496	0.9
70.76489	1.0
71.01382	11.9
73.02938	1.4
75.00924	1.0
78.73347	1.3
79.46780	1.1
85.02943	2.3
89.02454	4.5
90.79694	1.3
101.02439	8.4
112.00034	1.1
113.02443	5.4
116.17405	1.2
149.06073	1.7
232.50484	1.0
257.15427	11.5
315.19644	4.9
399.37625	1.2
519.25830	2.5
537.27112	22.9
579.27930	9.5
597.29199	41.5
639.30426	8.2
658.62457	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	699.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.25679	1.3
68.02791	1.2
71.01382	13.8
73.02950	5.8
77.49641	1.3
81.21279	1.4
83.01347	1.4
85.02936	8.1
88.98804	1.7
89.02448	3.6
92.20030	2.5
99.64382	1.3
101.02452	8.9
113.02444	11.7
116.92859	3.4
161.04549	31.1
181.08723	20.5
254.95047	1.5
315.31509	1.6
373.25925	3.1
417.22742	3.4
448.87122	1.6
579.27856	1.8
699.34198	1.7
699.39777	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	699.361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66118	2.7
59.01372	32.6
61.98843	5.2
71.01369	5.0
78.95884	4.4
82.93875	3.4
88.98800	5.6
89.02470	4.6
95.51806	3.3
101.02445	5.1
113.02422	5.3
147.04504	13.2
152.99557	5.7
171.10233	45.8
181.08632	4.0
211.13373	5.2
231.14006	4.2
233.15427	15.5
249.14989	17.3
255.23177	5.8
294.73404	3.1
385.23639	12.8
403.24982	13.5
621.32947	25.8
639.33887	100.0
680.65674	4.0
699.41541	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	699.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04692	0.9
58.90659	0.8
59.01384	100.0
63.63257	0.9
71.01385	17.7
73.02943	13.1
81.84594	1.0
85.02936	1.8
89.02434	24.2
91.48396	1.0
101.02444	6.5
113.02500	7.4
116.61487	0.9
117.03452	1.6
117.05571	31.1
119.03468	6.9
127.18913	0.9
129.50833	1.0
143.03522	1.1
153.37932	1.1
161.04510	3.8
179.05630	12.7
317.92691	1.0
331.05963	1.7
375.05151	21.2
399.05118	4.3
417.06223	4.4
443.04022	1.1
537.09521	1.6
612.53546	1.0
679.37860	1.1
699.13831	17.3
699.36200	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	699.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34237	0.9
59.01385	28.1
61.98838	2.5
62.46557	1.1
71.01365	1.0
77.68041	0.9
78.95908	2.3
89.02452	2.2
96.96041	1.8
101.02451	3.8
106.95004	1.0
113.02430	1.5
123.04478	1.3
127.11273	1.3
130.54143	1.0
149.05870	1.0
151.11261	5.5
152.99551	2.1
169.12338	40.3
171.10274	90.4
213.11351	5.1
231.12416	1.9
249.18620	27.9
253.09312	4.2
255.23325	2.1
357.09808	1.8
396.69168	1.1
494.75415	1.2
671.90527	1.0
699.39777	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	699.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62812	0.4
57.03448	0.5
61.27948	0.5
66.79240	0.5
67.04452	0.6
81.03436	1.2
87.60195	0.5
92.07739	0.5
92.99807	0.5
125.02433	17.5
143.07141	1.2
151.00281	0.6
152.99493	0.6
170.05212	0.7
207.05417	0.7
249.18185	0.6
255.23114	0.7
267.19626	3.2
269.21298	0.8
277.21710	2.1
278.83383	0.6
285.20688	6.8
287.22321	4.8
331.22620	4.0
333.24408	6.7
349.23889	0.6
375.21780	32.6
377.23380	47.2
393.22821	2.5
395.24301	3.4
564.72656	0.6
663.44885	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	700.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59363	0.8
50.78904	0.9
59.01384	100.0
71.01372	1.2
72.99310	5.8
76.23069	1.0
97.39736	1.0
98.02480	2.0
132.29353	1.3
140.37981	1.0
182.14226	1.0
190.08784	8.2
208.09804	27.3
226.39755	1.0
228.08397	1.0
256.79663	1.2
304.61160	1.0
322.66116	1.0
471.62204	0.9
580.29272	4.2
700.33557	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	700.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56676	0.9
59.01386	100.0
60.40881	0.8
61.92226	0.8
64.73419	1.0
69.31807	0.9
71.01379	1.2
83.01421	1.1
89.02447	1.0
92.19441	1.9
100.77164	0.9
109.10839	1.0
116.28162	1.0
143.39714	1.0
162.09293	1.9
190.08780	1.2
191.05670	1.1
208.09717	3.5
354.04645	1.3
389.20007	1.1
442.84177	1.1
604.75049	1.1
636.86932	1.1
647.46063	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	700.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14268	0.6
53.25979	0.6
53.76240	0.7
59.01385	100.0
61.98837	0.6
65.91601	0.6
71.01376	0.8
72.99301	1.3
73.08851	0.7
74.28149	0.6
89.00138	0.7
117.16499	0.7
151.78186	0.7
162.09232	23.0
183.70027	0.8
190.08768	3.4
208.09790	8.6
250.10780	1.1
287.83350	0.8
329.17548	6.6
389.19675	5.6
450.99954	0.8
580.29187	1.8
640.31354	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	700.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05813	1.0
59.01385	100.0
60.65164	1.0
71.06844	1.1
72.99296	2.2
89.02442	1.4
92.19447	1.5
93.03446	1.4
107.01386	1.4
125.02292	1.1
151.00311	3.9
162.09248	18.9
181.08884	1.3
190.08780	2.6
208.09779	2.2
329.17557	5.1
375.05188	2.5
376.05569	2.2
386.07468	1.7
389.19766	1.9
443.04364	2.1
444.04276	4.8
521.22882	1.2
537.07904	2.5
538.08667	5.8
624.33325	1.3
700.13855	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	701.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10162	2.2
59.01379	10.1
62.66347	1.9
71.01384	5.6
72.99294	13.3
75.00880	9.7
77.13552	2.4
87.00869	14.4
89.02441	12.3
91.18738	2.1
93.03432	4.1
113.02351	2.6
117.03445	6.0
119.05017	5.5
125.02472	3.1
135.02989	58.5
135.04553	10.8
145.02983	2.8
151.03955	3.5
153.01935	5.8
161.02446	13.5
163.04041	29.3
165.05530	18.0
175.03949	6.1
177.04131	3.0
177.05489	20.3
188.91078	2.4
189.01924	65.6
193.05042	12.5
203.03481	18.8
221.04521	5.8
233.84885	2.3
307.04300	3.7
325.01770	3.8
325.05615	100.0
341.08762	4.8
359.09943	20.2
371.09860	11.2
373.64365	2.5
484.15463	2.8
499.23236	2.8
669.37494	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	701.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90199	0.8
70.06223	1.0
73.12466	1.2
104.58414	1.1
117.03465	2.1
117.84019	1.2
119.05022	9.2
125.02441	1.5
138.35966	1.3
145.02962	100.0
161.04546	1.4
163.03958	9.4
165.37311	1.2
179.05655	7.5
230.11874	1.3
308.18079	1.2
325.05542	2.4
325.09323	60.9
519.96997	1.3
550.04395	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	701.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02134	7.7
56.26812	7.4
59.01384	100.0
69.71358	7.8
85.27231	7.5
85.50594	7.2
92.89129	8.0
98.10912	7.8
98.18404	7.2
255.23247	31.3
701.46100	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	701.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
64.81064	0.9
65.37064	0.9
71.21907	0.8
75.67661	0.9
78.95907	1.8
98.01183	0.9
115.84026	0.9
118.49443	1.0
121.02952	100.0
132.39812	0.9
134.57704	1.1
150.43100	0.9
152.99538	4.8
197.11855	1.4
255.23259	8.3
323.12878	0.9
439.43347	1.0
701.29956	4.3
701.44940	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	701.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67620	2.5
61.34817	2.6
65.75797	2.5
78.95901	26.9
80.49178	2.9
84.91206	2.9
106.80985	2.7
117.13686	3.3
152.99593	28.8
197.11740	6.9
223.13536	6.0
253.11559	3.4
255.23285	55.2
290.89929	2.9
371.65167	3.0
528.33020	3.2
528.41089	3.8
562.55450	3.7
701.33032	100.0
701.44305	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	701.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90021	5.3
53.89870	5.2
59.01371	16.8
80.19009	6.9
89.77200	7.3
99.69470	6.3
106.94652	8.3
107.57169	6.1
112.85680	7.5
167.10715	7.4
169.12338	73.8
171.10294	9.2
195.14001	10.3
205.12373	10.5
209.11908	10.0
211.13431	15.8
223.13339	100.0
297.99030	7.4
299.16425	7.0
459.22659	9.2
529.86023	9.0
611.33862	64.2
655.33337	29.2
701.34784	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54526	0.6
59.01389	1.0
89.02444	1.4
125.02464	1.6
163.04079	0.8
191.14435	100.0
235.13400	37.7
253.14452	6.9
279.12384	63.9
289.07544	1.2
306.08829	0.8
409.81860	0.7
479.26569	4.3
627.48401	0.8
701.28021	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	701.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23542	0.3
60.95196	0.3
67.37656	0.3
68.11578	0.3
94.31814	0.3
101.43584	0.4
117.03450	6.9
119.05026	4.3
145.02950	100.0
163.04001	4.5
200.70496	0.3
242.70151	0.3
269.21179	3.1
285.20740	15.3
287.22418	2.3
319.97906	0.3
397.23621	0.4
415.25159	0.4
701.46442	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30860	1.1
57.04650	0.8
74.17763	0.9
82.06630	4.3
90.82289	1.1
93.42077	0.9
95.88896	0.8
129.10345	12.2
130.08742	47.3
140.07199	2.1
154.08737	1.7
158.53894	0.9
171.11368	5.8
197.16640	6.4
199.18167	5.3
207.15036	1.7
223.18044	1.2
224.15645	1.4
224.17679	11.9
225.15918	1.4
241.13440	1.7
242.11887	5.8
242.18756	33.4
243.17114	6.5
266.18756	28.7
284.19885	7.6
324.13422	1.0
329.22229	9.8
347.70419	1.2
610.55542	1.1
635.11975	1.1
658.41943	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	703.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77610	0.4
60.11685	0.4
73.02920	0.5
74.69953	0.5
85.74109	0.5
94.10413	0.5
99.92608	4.3
116.92856	100.0
117.05584	0.5
206.76437	0.6
206.78741	0.6
363.37601	0.7
449.79962	0.5
515.86658	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	703.2622
Annotation	Xylocarpin E
Peak:m/z	Relative Intensity
52.34566	0.9
59.01385	100.0
61.98818	2.2
70.47240	1.1
71.01414	1.2
75.28718	1.0
78.95892	1.6
80.96515	2.7
84.33791	1.0
94.87764	0.9
101.02431	2.2
107.39531	1.0
115.93171	1.0
120.01448	1.1
121.02957	54.5
153.12869	1.7
191.12082	1.2
197.11829	2.4
225.00609	1.2
241.36368	1.2
250.80547	1.1
292.95673	1.3
308.18100	1.1
398.61517	1.2
436.87927	1.2
493.21054	1.2
583.22455	1.5
598.23938	1.3
601.23566	1.3
643.23962	10.1
661.25256	9.2
703.29883	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	703.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45673	1.7
56.44306	1.8
68.85135	2.1
121.02952	100.0
174.65469	2.1
285.20996	2.6
495.18768	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	703.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85102	0.9
59.01108	1.4
59.01386	33.2
66.17843	1.1
71.01379	13.2
73.02937	1.7
74.05379	0.9
76.83198	1.1
83.09370	1.0
84.75204	1.0
85.02958	1.9
87.00856	1.3
89.02426	14.3
101.02441	14.0
113.02438	5.3
119.03461	7.3
129.05576	1.5
145.02942	10.8
161.09734	1.5
163.04036	2.5
183.10239	4.9
339.11011	7.8
363.16663	100.0
500.27554	1.3
534.84009	1.1
626.61566	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	703.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.1
60.32230	1.8
61.98838	2.1
69.45143	2.1
71.01381	10.3
73.02949	2.4
85.02939	2.0
89.02449	3.7
96.96020	2.0
101.02457	8.4
109.02954	2.5
113.02431	3.6
121.02947	3.4
137.09726	12.5
155.10780	41.5
187.07509	2.5
326.11530	3.4
341.13812	3.4
344.12677	19.4
359.15118	37.5
430.22534	2.2
521.20032	3.3
521.94104	2.5
548.38098	2.2
678.24500	2.3
703.29797	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	703.444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12288	0.2
50.18399	0.2
56.76102	0.3
57.03451	5.4
58.41841	0.2
68.99794	0.2
79.98600	0.2
81.03466	1.0
83.01384	5.9
107.01399	0.5
121.02949	0.4
123.04491	0.4
125.02441	100.0
145.02946	2.3
149.02449	2.0
151.00409	1.0
163.82066	0.3
167.03467	2.8
196.22165	0.3
215.61653	0.2
221.19075	0.3
249.18486	0.5
251.99715	0.3
263.20068	0.3
265.21933	0.4
267.19693	1.7
285.20776	2.4
287.22238	0.4
291.19626	0.5
399.21735	0.5
521.50092	0.2
533.42566	0.4
536.74701	0.3
577.40985	1.4
677.22925	0.3
703.44366	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16214	1.8
63.44348	1.7
95.05065	2.1
97.02943	3.3
97.11279	1.9
102.88796	1.7
109.02954	19.5
121.02911	2.6
121.62347	1.9
123.04513	10.3
125.02463	19.7
137.02431	10.2
137.42242	1.8
151.03981	9.2
161.06032	2.8
165.01889	3.5
175.03973	2.9
179.03560	3.3
187.03931	3.4
188.04834	2.9
202.06303	3.2
203.07133	19.7
205.05070	13.6
221.08209	3.9
227.07091	2.2
245.08199	24.5
289.07184	100.0
289.10400	3.3
293.54370	1.9
352.79895	1.9
384.12302	2.0
415.19705	12.2
484.72778	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	705.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86757	1.0
59.01386	1.9
68.19568	1.0
71.01386	12.6
73.02959	2.4
85.02950	4.1
99.00819	1.2
101.02442	9.1
107.70527	1.2
108.02199	1.3
113.02463	8.0
121.02988	1.3
122.03735	100.0
123.04526	23.1
135.04567	1.9
136.04471	1.3
137.02443	1.3
137.06076	2.3
161.04565	9.2
165.05576	13.1
167.03488	6.7
175.34062	1.3
177.05519	1.7
226.48936	1.2
285.09857	2.3
329.08810	85.4
507.39188	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	705.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96745	0.8
55.12822	0.9
56.10439	0.8
59.01389	1.2
69.04782	0.9
71.01375	10.0
73.02943	1.0
73.06145	0.9
75.93548	0.9
83.01408	1.4
85.02966	4.5
101.02451	4.9
113.02441	7.6
121.02936	2.3
122.03741	100.0
123.04512	27.6
137.06042	3.8
147.04549	1.2
149.08740	1.0
161.04550	7.7
165.05553	9.3
177.05612	4.6
285.09882	1.4
317.68039	0.9
329.08826	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41174	1.1
55.14658	0.9
62.08381	0.9
65.16689	1.0
80.36399	0.9
81.92943	1.1
83.01377	1.3
91.45460	1.0
99.12634	1.2
123.00839	1.3
125.02445	39.5
139.03992	4.8
147.00945	1.5
151.00317	10.9
152.01166	2.5
153.01901	15.9
165.01965	7.7
167.03468	4.5
174.99034	1.2
175.00377	21.8
175.46300	1.3
178.99860	15.7
181.01364	2.4
191.03499	9.3
191.05559	5.4
193.01434	100.0
196.43912	1.1
205.05035	1.2
215.03435	9.0
229.05103	1.5
233.04617	1.9
239.03470	1.5
254.72575	1.1
257.04593	6.7
301.03595	13.0
319.04608	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84227	0.7
58.02996	5.0
58.03240	0.6
60.17913	0.6
61.83085	0.5
62.03415	0.6
63.65515	0.7
69.32674	0.6
70.02974	7.0
72.04548	1.5
74.02473	35.4
98.02470	7.0
112.75562	0.8
116.03526	16.4
116.05038	5.9
130.06657	0.8
153.05562	0.8
159.09250	1.0
166.72716	0.7
183.09273	0.9
186.05551	0.7
201.10286	6.3
203.08279	63.8
231.39507	0.8
245.09308	100.0
251.81749	0.7
289.08173	4.1
300.02713	2.8
429.00201	0.8
444.46606	0.8
462.33450	0.8
560.69000	0.8
708.67072	1.1
709.17395	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	705.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.4
60.44061	1.4
60.84374	1.4
65.42916	1.4
70.30920	1.4
71.01388	11.0
75.57526	1.6
79.11683	1.4
80.02692	6.5
89.02449	18.4
101.02451	9.8
103.05550	32.8
106.04249	14.0
113.02423	7.0
119.03487	3.2
119.04961	2.8
121.06599	54.4
123.04517	2.2
125.02478	1.6
153.05576	1.6
155.84453	1.5
165.05576	27.4
167.03516	11.1
168.04286	9.2
179.05594	1.9
183.06587	16.3
329.08917	2.2
345.11938	100.0
360.05927	1.8
435.23914	1.8
465.59058	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	705.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
75.00873	100.0
83.82964	1.2
85.03117	1.3
106.56955	1.3
121.02934	7.1
137.02376	9.1
328.86661	1.1
342.22900	1.3
374.76233	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	705.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17670	2.4
53.79679	2.7
57.21444	2.8
60.51729	3.5
65.09557	2.8
89.02755	3.1
92.20153	6.4
97.06584	3.5
111.08076	3.2
117.48410	3.4
125.02446	15.1
125.06113	22.7
126.45765	2.8
150.66531	3.2
151.07574	4.4
162.10524	4.2
163.11316	4.5
166.06319	38.8
175.25160	3.2
191.05598	5.6
191.10835	6.4
198.84645	3.0
219.10173	6.1
231.10112	7.0
245.15353	4.6
289.14890	5.8
289.18124	100.0
304.16916	33.1
328.16940	6.4
329.17596	20.2
333.17093	55.2
361.33267	3.3
376.15179	42.8
377.16058	67.1
513.83325	3.7
595.45013	3.7
705.32941	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59310	0.4
58.05433	0.4
66.30666	0.4
75.77580	0.4
79.95746	1.1
85.98391	0.4
89.98173	0.4
96.96006	100.0
125.02457	0.5
137.02341	0.4
141.41498	0.4
151.00348	0.5
163.08629	0.4
175.89749	0.4
271.02527	0.5
300.02808	9.7
301.03476	4.3
326.27930	0.5
609.14679	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	707.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97975	2.6
63.31152	2.9
83.01414	4.3
109.02940	15.8
110.59380	3.2
111.00860	7.1
111.24921	3.9
125.02450	90.3
133.05521	3.1
135.15002	3.4
137.02408	21.2
151.03979	30.9
153.01964	4.8
161.02419	20.0
167.03497	16.9
167.94238	4.0
175.04005	5.7
177.01878	5.9
179.03477	6.0
195.03009	59.0
203.03676	3.6
203.07239	6.1
205.05061	5.0
207.02966	13.2
219.02911	4.6
231.03096	4.2
235.02423	4.3
237.04031	6.7
255.05156	46.9
289.07166	20.5
357.06073	6.0
417.08279	29.6
423.07132	3.7
451.10193	5.0
555.11523	21.5
593.13458	6.5
707.16272	100.0
726.59589	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	707.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69715	37.9
52.07289	38.4
58.72598	49.0
59.78134	46.1
64.00963	42.5
67.23660	56.3
68.82755	46.6
72.09013	57.6
77.36732	45.2
87.97083	52.0
121.02936	100.0
204.30290	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75965	0.3
54.47773	0.3
55.61240	0.3
71.40105	0.4
84.99243	0.4
91.92564	0.4
97.58336	0.3
150.74071	0.4
153.26234	0.4
162.89400	2.1
180.70613	0.4
183.76329	0.4
211.90994	0.4
279.10248	6.1
307.09705	6.2
322.12125	100.0
337.14484	38.8
362.84180	0.4
376.29477	0.4
437.58792	0.4
486.14767	0.4
707.28833	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57753	0.7
55.00198	0.7
67.63384	0.8
71.01379	1.6
73.67805	0.8
83.01402	1.4
89.02434	1.6
95.04997	1.2
97.02940	4.4
109.02944	20.4
113.02424	1.2
123.04506	7.8
125.02448	18.1
130.56572	0.8
137.02449	7.7
139.04016	2.1
149.02441	4.8
151.03999	8.3
154.31255	0.8
159.04474	1.3
161.02464	1.2
161.06032	6.9
162.03181	1.0
164.01155	1.6
165.01903	5.6
167.03508	2.1
175.04008	1.7
175.07579	0.9
175.29053	0.8
179.03470	9.3
181.08662	1.6
183.10214	1.5
187.04004	4.6
188.04791	3.7
199.07452	1.0
201.11258	1.1
202.06361	1.5
203.07146	19.8
205.05093	11.1
221.08171	3.6
227.07103	4.1
245.08157	23.9
247.06079	1.3
271.06116	1.2
289.07184	100.0
363.16721	15.3
451.11401	0.9
537.74646	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	707.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66742	1.0
55.20861	0.9
59.01387	13.4
59.84325	0.9
70.43290	1.0
82.42073	1.1
100.36551	1.0
112.78863	1.3
119.03441	1.3
121.02953	100.0
125.02472	1.2
143.86568	1.0
145.55904	1.0
261.30618	1.4
315.95224	1.2
587.25073	1.4
699.42883	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	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	27.9
60.64528	0.7
71.01391	1.3
73.45016	0.8
77.03973	0.9
89.02393	1.1
89.24233	0.8
96.95976	1.3
96.96942	1.2
121.02951	100.0
125.02427	4.1
161.02457	1.0
179.54587	0.8
191.07170	1.5
195.33253	0.9
238.10138	1.0
255.10136	1.0
289.07101	1.4
489.17941	10.4
525.23578	1.4
527.22974	1.9
527.65417	1.0
549.19873	14.8
587.25055	7.5
671.23358	4.4
707.20471	3.8
707.33655	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	707.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94266	0.9
59.01386	57.1
64.01358	0.9
71.64507	1.0
104.38228	1.0
104.39606	1.0
115.45350	1.0
121.02954	100.0
125.02448	2.4
161.02388	1.7
587.25360	7.9
647.27319	4.7
722.60547	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	707.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16327	0.6
58.34468	0.6
59.01386	14.6
63.79946	0.6
74.77254	0.7
78.95893	0.9
90.96064	0.6
96.96949	1.7
110.37806	0.7
111.04508	0.7
115.45840	0.7
118.15844	0.6
121.02955	100.0
125.02431	1.6
133.47508	0.6
177.09245	3.3
193.46231	0.7
231.13885	0.7
289.07092	1.4
347.11899	1.1
405.19217	1.3
485.22052	1.1
527.23059	0.8
545.23602	1.5
587.24304	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	707.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38451	1.7
57.03442	1.6
58.42213	1.5
59.01374	9.7
64.96838	1.7
67.50832	2.2
68.89214	1.6
69.03457	3.7
71.01382	3.4
73.02934	2.0
75.99063	1.9
84.93147	1.8
87.62512	1.6
89.02440	3.6
92.20075	5.0
92.30664	1.8
101.02448	8.5
103.88205	1.7
113.02444	6.9
127.35789	1.8
149.09802	2.1
151.11253	2.1
167.10756	21.6
177.09196	13.5
179.05595	2.3
179.14406	2.9
195.10292	36.1
195.11980	2.8
195.13892	24.6
205.12288	11.9
223.13387	100.0
247.16864	2.4
253.09267	23.5
265.18088	50.7
269.19611	2.4
275.20111	4.6
293.21274	62.8
344.76453	1.9
360.02026	2.0
383.08337	2.1
459.22589	22.3
498.67673	2.0
529.30182	6.8
642.07251	2.2
707.40405	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45609	2.5
50.69031	2.5
53.54618	2.2
59.01371	3.0
71.05006	3.7
81.64155	2.8
109.06582	15.8
117.94699	2.8
123.06722	3.0
127.07575	3.1
145.06520	3.7
169.43343	3.4
195.13945	5.0
195.67279	3.2
245.19032	4.7
287.16589	3.6
289.18109	100.0
307.19217	48.6
340.42258	3.1
370.36807	3.8
378.05130	3.0
383.79959	3.5
480.10791	3.5
707.36639	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	709.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75985	0.7
54.23280	0.6
59.01362	1.1
67.25300	0.7
73.28094	0.7
89.02470	0.9
109.02943	4.4
110.68765	0.7
123.00875	5.4
123.04549	2.7
124.01657	1.7
125.02431	7.4
135.04567	0.9
136.01649	1.5
137.02455	5.8
141.12856	0.7
149.02470	1.0
150.03214	1.4
151.04024	5.9
161.02443	5.4
161.06053	0.8
162.49927	0.8
163.00388	8.7
163.03986	1.3
164.01173	3.3
165.01927	3.7
165.05582	3.7
175.03949	1.4
177.01918	3.8
179.03575	1.4
187.04013	1.4
188.04698	0.8
189.01897	0.9
189.05586	0.8
191.03642	1.0
203.07143	5.2
205.01370	1.0
205.05048	1.5
213.05507	0.9
217.05014	0.9
225.05450	0.9
229.05052	1.7
239.03426	0.9
240.04314	0.8
241.05069	5.7
245.08180	4.5
253.04955	2.9
255.02989	13.9
257.04538	10.7
267.02988	15.8
268.03760	11.4
269.04547	70.6
272.06900	4.2
281.04495	4.1
282.05191	2.9
287.09244	22.1
289.07202	14.7
295.02484	3.2
296.03201	4.4
297.04031	5.3
299.09320	1.3
309.04105	1.4
310.04855	4.7
325.03540	2.9
401.06635	3.0
419.07761	100.0
463.07004	0.9
483.15649	0.8
487.20856	0.8
557.10986	1.6
615.11414	3.3
644.20050	0.8
679.23938	1.0
709.15179	5.1
709.26422	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	709.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
61.30555	0.5
80.10362	0.5
89.67946	0.5
94.17099	0.5
121.02953	100.0
191.00339	0.5
250.40974	0.5
726.07562	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	709.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26370	1.3
59.01381	6.6
76.89085	1.4
109.25635	1.7
121.02953	100.0
155.69296	1.4
215.27707	1.5
242.25064	1.4
351.51501	1.5
401.09872	1.6
408.25690	1.4
634.30652	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	709.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23964	0.4
54.11282	0.4
54.60096	0.4
55.14035	0.4
60.98760	0.4
72.04219	0.4
82.00347	0.4
92.19358	0.4
147.17909	0.6
242.26122	0.5
255.48795	0.5
256.07828	0.6
258.12582	1.0
286.15759	1.0
301.18112	100.0
345.17053	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	709.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25307	1.3
59.01392	17.6
71.01373	7.9
74.25401	1.5
89.02450	13.9
92.19395	1.9
101.02441	10.2
113.02410	1.7
119.03509	2.0
121.02075	3.5
121.02951	100.0
131.29837	1.6
143.03496	1.8
157.04454	1.5
167.97327	1.4
224.58655	1.9
235.08147	3.3
251.20160	34.8
284.10617	1.7
397.13605	34.7
415.14465	9.9
649.34235	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	710.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45819	1.0
54.82366	1.0
56.83559	0.9
59.01392	5.8
61.70589	1.3
62.13349	1.0
67.81384	1.2
71.01386	3.0
71.57429	1.2
71.83772	1.2
89.02427	7.5
93.03443	7.9
101.02417	5.1
113.02460	2.7
119.03487	2.3
136.01648	2.6
136.05278	5.0
137.02440	87.9
151.03973	11.3
151.07632	34.0
151.11285	1.8
168.07895	9.3
171.11665	1.5
177.60492	1.2
179.03500	81.6
184.08934	5.9
187.11249	1.6
189.12827	2.0
199.11354	6.4
202.10065	1.8
205.12312	18.9
209.04564	16.3
217.12277	18.2
224.41203	1.1
235.13019	1.4
239.05614	80.5
244.62000	1.3
279.12369	36.7
299.07727	100.0
430.11444	7.8
451.72339	1.2
499.37903	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	710.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06651	0.5
52.78876	0.6
55.13370	0.5
56.58287	0.6
59.01390	0.9
59.33599	0.6
59.53838	0.6
61.98837	100.0
67.31110	0.6
68.71255	0.7
76.64202	0.6
93.40712	0.6
120.96637	0.7
121.02924	3.8
122.03303	0.8
125.02469	0.7
137.02419	0.8
139.54596	0.7
180.83870	0.8
326.74100	0.8
673.31317	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	710.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26603	0.8
57.03439	1.1
59.01386	44.2
61.24868	0.8
63.20260	0.8
71.01384	3.6
72.99301	5.7
74.38596	0.9
75.00874	24.6
85.02932	0.9
87.00864	1.9
89.02433	1.8
99.00879	5.1
100.87051	0.9
108.91066	0.8
111.00858	3.5
112.98806	7.8
113.99543	1.1
115.00344	3.6
117.01888	0.9
124.74430	0.9
135.03000	22.4
142.99869	12.2
147.04526	8.1
156.00655	6.1
160.07677	16.7
170.88638	0.8
174.01689	17.1
178.08743	66.9
203.22758	0.9
260.15887	0.9
281.19257	1.7
299.38797	1.0
309.18903	0.9
383.18713	1.8
389.35602	0.9
532.27039	25.2
546.28503	1.6
562.28076	2.0
572.27307	1.1
590.27594	5.8
632.28949	3.6
650.30121	4.1
710.31946	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	710.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80793	1.3
59.01113	1.6
59.01388	36.9
61.45219	1.3
61.98803	1.5
69.18904	1.3
69.80868	1.4
72.99319	3.4
75.00882	21.6
78.63944	1.5
87.00866	1.8
99.00864	2.6
112.98782	6.8
115.00353	2.0
120.28425	1.6
126.31626	1.4
135.02998	18.7
142.99876	11.6
147.04547	7.4
156.00665	3.5
160.07655	12.9
174.01727	14.2
178.08731	66.4
307.95087	1.6
452.22421	1.6
495.71759	1.6
532.27051	23.9
562.27954	1.8
590.27362	7.1
710.31952	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	711.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08864	0.8
62.16110	0.9
68.06481	1.0
92.19432	1.5
93.03441	1.1
100.40509	0.9
109.02911	0.9
116.92857	7.6
118.55687	0.9
120.02168	1.1
123.04519	4.0
124.01645	7.6
125.02428	12.8
133.02959	5.6
134.03786	1.0
137.02449	30.3
139.04037	10.3
149.02480	1.1
152.01147	5.7
156.35507	0.9
163.00375	3.4
164.01160	100.0
165.01935	23.8
167.03497	69.8
167.04953	1.5
173.12086	0.9
176.01143	2.0
177.01880	6.9
185.06104	3.3
187.04060	1.8
199.07515	0.9
201.05696	1.1
203.07106	6.9
227.07170	3.6
228.04359	1.6
229.05148	3.6
243.02956	3.4
243.06607	1.4
253.05032	6.0
256.03745	2.2
257.04471	1.3
269.04657	1.0
269.08603	1.2
271.06119	35.7
283.02438	1.2
285.04074	7.7
300.03012	0.9
353.83023	1.1
383.40195	0.9
394.51019	0.9
407.07822	8.1
417.09976	1.9
421.09341	1.0
436.08017	1.4
439.10391	13.6
543.13055	64.3
560.48932	1.0
604.29364	0.9
711.17096	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	711.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98764	2.6
103.58216	3.6
107.85138	3.3
109.02927	16.5
112.12611	3.1
121.02935	3.5
123.04556	12.1
124.98071	3.1
125.02441	100.0
137.02486	26.2
143.12766	4.1
149.02469	5.2
151.03987	13.8
159.80649	3.3
161.02443	38.0
161.06055	5.3
161.68094	3.3
164.01166	4.7
165.01869	5.0
165.05533	7.5
175.03999	5.0
175.07661	4.7
177.01973	3.3
179.03453	7.3
187.03941	3.7
189.01761	3.3
203.03551	3.1
203.07120	14.3
205.05052	20.2
217.08615	3.8
217.25433	3.7
245.08266	25.3
257.66809	4.2
259.09760	24.0
269.04465	5.5
281.04434	3.7
287.05496	5.3
289.07248	60.1
339.08731	3.7
407.07675	20.1
412.68933	3.0
421.13165	26.3
425.08755	11.8
451.10266	16.8
468.22290	3.3
509.66476	3.2
541.14966	11.8
559.16156	33.5
577.13562	4.6
701.44977	3.7
711.20892	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	711.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12496	1.5
56.49167	1.6
57.03457	3.6
57.30779	1.4
67.28687	1.6
83.01392	7.7
88.85657	1.8
88.98773	2.1
97.02991	2.0
99.06915	2.1
99.17404	1.9
102.46589	1.7
104.72427	1.6
109.02946	20.3
111.52748	1.6
123.04512	11.1
125.02444	100.0
125.03350	4.1
137.02432	22.9
139.04059	1.8
149.02457	4.5
151.04013	15.3
161.02448	41.7
161.06027	3.0
162.03206	3.2
163.00420	2.6
163.04115	2.8
164.01158	2.9
165.01907	7.9
165.05621	3.0
167.03473	2.7
175.04022	9.0
175.07672	2.2
177.02023	2.5
179.03511	9.6
187.04041	3.4
203.07123	17.9
205.01355	2.9
205.05077	14.6
215.03406	3.6
217.05107	2.5
217.08792	3.5
229.04987	4.5
239.81706	1.8
243.03027	2.4
245.04465	3.1
245.08220	26.4
247.06055	3.0
255.03108	2.7
256.03729	3.5
259.07001	2.8
259.09702	27.3
281.04630	2.5
287.05716	12.5
289.04126	3.9
289.07205	63.6
298.08374	2.6
311.09174	2.8
339.08658	4.1
389.06339	2.1
407.07632	24.7
421.13126	23.6
425.08783	11.2
439.59103	1.8
447.11063	3.0
451.10352	10.7
541.15173	11.2
559.16174	34.4
577.13647	8.0
585.17816	7.1
680.41241	2.1
711.20917	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	711.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92642	0.5
83.44043	0.7
101.02421	1.4
132.04265	0.7
133.02989	2.7
135.03491	0.9
135.04518	24.7
145.02957	4.2
148.16646	0.6
151.04005	0.6
161.02435	100.0
161.04575	2.9
163.03989	0.8
173.04657	0.9
179.03503	17.8
190.64197	0.7
193.07103	1.3
339.10907	3.0
355.10352	78.9
510.04956	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	711.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53110	0.5
62.19101	0.4
71.11204	0.4
82.26920	0.5
87.00890	0.4
91.38032	0.4
93.31380	0.4
94.22536	0.4
133.02989	3.4
134.03714	0.8
135.04532	23.6
140.05536	0.4
161.02443	100.0
161.04596	3.4
178.74377	0.4
179.03497	19.2
193.07202	1.6
257.89078	0.5
355.10367	79.8
390.79272	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	711.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42250	0.7
58.84639	0.8
59.01382	33.8
59.01680	1.3
60.11951	0.7
63.03147	0.7
70.09777	0.7
71.01376	18.1
72.99316	1.3
73.02920	1.0
80.40349	0.7
85.02913	1.0
89.02437	28.9
94.10258	0.7
95.01404	1.0
101.02451	21.6
113.02437	10.7
119.03489	17.3
125.02357	0.9
137.02444	1.1
155.07112	3.6
156.95708	0.9
165.05583	1.1
173.08202	1.0
335.13489	100.0
580.12537	0.9
743.11884	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	711.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.52027	0.8
63.13042	0.9
65.17041	0.8
67.16097	0.9
76.32363	0.9
89.02433	1.2
89.16560	0.9
94.83217	1.0
95.70476	0.8
112.60139	1.0
116.92867	9.0
125.02486	1.7
129.18297	0.9
135.65111	0.9
148.67372	0.9
167.03528	1.0
208.09781	1.1
216.84010	0.9
307.47693	1.1
354.84866	1.0
537.13721	1.1
699.42651	1.1
711.28143	4.4
728.07086	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	711.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.86172	0.7
64.12521	0.9
64.52823	0.9
72.32964	0.9
134.83447	1.1
160.05354	1.1
176.83922	0.8
177.62949	1.0
296.10522	1.3
310.12155	3.9
516.17706	0.9
711.24457	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	711.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.0
59.01386	100.0
71.33669	2.1
105.53611	2.4
141.46130	2.0
166.06227	2.4
332.11392	2.5
567.24799	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	711.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98836	5.0
76.50140	0.9
80.91683	1.1
122.48302	0.8
125.82909	0.8
131.79047	0.8
161.02452	1.2
194.28685	0.8
199.61694	0.8
347.85727	0.8
353.42014	0.9
541.31238	1.0
702.63831	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	711.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18456	0.9
55.80101	1.0
59.01386	100.0
61.16740	0.9
72.99310	9.5
78.71603	0.8
89.02431	1.6
101.02474	1.2
113.02483	1.2
116.92851	1.6
125.02454	3.3
126.75465	1.0
162.09274	6.9
178.89928	1.0
190.08728	5.3
208.09802	44.8
223.71028	1.1
237.50912	0.8
290.52942	0.9
411.85812	1.0
618.12097	1.1
651.37964	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	711.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29203	0.5
97.06584	37.9
97.07220	1.2
115.44373	0.7
121.06606	1.0
125.02501	1.1
132.16734	0.6
151.01881	0.6
191.10809	18.8
204.11511	0.7
219.13916	100.0
235.13377	5.8
240.07683	0.8
263.12900	100.0
289.07278	0.9
403.36328	0.9
447.22394	0.8
563.15698	0.9
711.35828	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	711.409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26624	1.0
57.10067	0.9
78.95905	5.6
86.13839	1.2
87.95115	0.9
88.23734	1.0
103.40920	1.1
152.99579	19.2
171.00693	3.9
196.23071	1.3
201.11354	18.9
209.11852	22.5
255.23308	100.0
319.54221	1.1
341.05984	1.2
363.12363	1.6
571.11505	1.1
693.39575	1.3
711.41077	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53664	0.4
78.95901	5.0
83.05007	0.7
109.79536	0.4
127.11294	0.5
152.99573	18.8
165.12871	0.6
171.00641	3.6
181.43919	0.4
201.11328	21.7
209.11836	26.8
227.03163	0.6
227.12799	1.6
232.33585	0.5
255.23300	100.0
290.82269	0.5
337.10675	0.5
370.46457	0.4
406.46591	0.4
437.15765	0.5
469.40594	0.4
593.32550	0.4
639.91510	0.5
693.39911	3.0
711.41028	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33984	2.5
51.34231	2.4
53.01133	2.5
56.16029	2.4
59.01381	100.0
61.25029	2.6
61.98825	3.8
67.22935	2.8
74.82563	3.2
93.72968	3.0
108.34727	3.2
111.88911	3.1
111.90598	2.8
125.02429	7.5
153.79828	2.9
161.02440	6.8
165.01962	3.1
289.07373	4.9
290.07697	3.6
560.20306	5.2
574.62762	3.0
613.70190	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	712.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81091	1.2
52.06469	1.1
59.01387	100.0
67.63581	1.1
67.65626	1.5
73.33639	1.4
75.94971	1.5
85.15623	1.4
87.65930	1.4
125.02427	7.1
161.02431	2.8
162.02846	1.7
183.86728	1.6
234.45129	1.4
237.96785	1.4
249.62921	1.5
289.07120	2.4
290.07462	1.8
414.47049	1.4
705.39423	1.5
712.24670	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	712.5376
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
52.27037	1.7
53.98501	1.6
56.20346	1.6
59.01100	4.1
59.01383	63.7
62.06240	1.6
71.01379	32.9
85.02941	3.2
87.06973	1.9
87.24113	2.0
89.02449	29.9
101.02429	19.7
103.92184	2.1
107.21062	2.5
108.89565	1.9
109.35859	2.0
113.02444	7.5
117.14007	2.1
119.03462	8.0
120.43491	2.4
149.52368	1.9
179.05492	2.4
225.22264	19.0
258.62552	2.1
271.22751	2.7
278.25204	2.5
296.25977	3.6
532.47443	13.2
658.72003	2.5
712.53821	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	712.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84643	4.5
59.01389	71.4
63.37207	4.4
65.62438	5.0
71.01374	24.9
89.02457	36.7
101.02422	23.4
113.02435	10.1
116.28459	5.6
119.03528	7.4
143.91306	5.1
205.36203	6.2
225.22194	12.1
269.94806	5.9
317.07547	5.9
402.89029	6.4
435.08459	6.1
510.12463	6.0
532.47461	13.3
712.53656	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	713.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80462	1.5
59.01381	7.9
63.65410	1.6
69.38045	1.4
69.97321	1.7
71.01402	2.3
80.97051	1.3
85.02979	1.8
111.04333	1.5
117.03466	6.7
151.00377	3.2
206.14874	1.7
269.04453	3.0
298.10989	1.8
374.04260	9.6
389.06604	20.0
401.03146	11.9
411.05283	2.0
413.06775	3.2
431.07541	13.2
442.03458	2.7
451.08286	12.8
457.05655	6.0
475.08151	2.6
518.99432	2.9
519.07269	88.6
525.30121	1.6
533.08594	1.7
551.09875	100.0
713.15137	52.9
713.34863	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	713.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48911	0.7
59.01384	8.9
66.21293	0.7
71.01363	1.0
89.02448	1.1
116.19447	0.8
116.92844	1.5
117.03469	3.2
123.04538	1.4
151.00342	5.1
158.40120	1.0
178.37730	0.8
181.08763	1.0
201.43275	0.9
233.11807	1.4
251.45297	0.9
262.50635	1.0
282.35980	0.8
367.05954	1.6
374.04489	9.5
389.06601	15.8
394.77994	0.9
401.02805	6.9
413.06876	2.0
423.08414	1.8
431.07697	10.5
433.07126	1.8
442.03018	1.7
451.08179	10.1
457.06073	6.1
475.08191	1.5
493.05469	1.2
507.04004	1.0
519.07239	81.8
551.09827	100.0
713.14960	11.4
713.26276	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	713.1526
Annotation	Fisetinidol-(4alpha->8)-catechin-3-O-gallate
Peak:m/z	Relative Intensity
53.80724	0.5
55.95483	0.6
57.43272	0.6
58.71582	0.6
59.01371	2.7
60.39093	0.6
64.83049	0.6
65.11720	0.7
66.30591	0.6
67.60479	0.5
67.79573	0.7
78.30899	0.7
84.37103	0.6
89.02408	0.9
95.71311	0.7
98.68775	0.6
99.86965	0.6
117.03484	7.8
125.02476	0.7
159.04482	5.0
181.08696	1.3
321.07684	1.5
321.43188	0.8
330.05191	0.7
345.07715	14.8
347.05548	3.6
374.04288	8.6
375.05215	0.8
388.05850	3.8
389.06689	100.0
413.06613	6.8
415.04581	10.3
425.52658	0.7
431.07736	8.8
457.05496	2.9
521.56720	0.9
551.09753	1.5
713.15057	72.7
713.35760	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	713.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42191	0.3
62.28118	0.5
68.96922	0.4
71.01377	10.4
90.79294	0.4
115.00381	5.9
117.03483	2.4
134.03738	30.3
137.02577	0.6
149.06090	9.8
161.02281	0.5
169.13765	0.4
178.02675	5.2
193.05063	100.0
309.06165	13.2
403.06268	0.5
458.23404	0.5
477.46277	0.5
620.77948	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	713.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38238	0.7
52.16775	0.7
55.14456	0.7
58.18985	0.8
73.03951	0.8
78.71659	0.8
83.01388	6.5
87.30986	0.8
90.39058	0.9
109.01726	1.0
121.02979	1.9
122.03727	2.1
123.04527	1.6
160.05194	1.0
161.66809	0.9
204.04251	1.8
205.05103	1.5
255.06766	1.9
256.07260	3.4
257.08173	1.7
258.09103	2.0
270.09088	8.5
271.09650	1.9
272.10565	1.2
281.08032	1.2
284.10397	1.0
290.08087	1.4
296.10406	1.4
297.11255	0.9
303.08499	1.2
368.05719	1.0
463.14191	1.1
478.17142	1.2
488.14667	2.1
489.15475	1.5
491.17249	1.5
503.17606	7.3
517.18494	1.9
713.26154	100.0
737.44440	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	713.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95290	1.4
57.46356	1.1
59.01368	2.4
62.14276	1.2
63.71999	1.2
77.54381	1.2
83.01392	12.5
92.19440	3.1
109.02948	5.5
121.02941	15.7
122.03751	7.0
123.04516	6.1
123.74208	1.3
124.01654	5.8
125.02457	10.3
136.05380	3.3
137.02443	14.3
137.06018	1.4
140.45705	1.8
147.04561	2.0
149.02492	2.2
151.04002	7.3
161.02434	7.5
161.06064	6.3
164.01183	2.1
165.01923	2.1
175.04059	2.7
179.03514	2.4
181.81844	1.6
183.38853	1.5
187.03999	1.7
203.07072	1.9
204.04292	7.8
205.05031	3.3
219.06650	5.6
221.08286	2.6
226.06351	1.7
229.05173	1.7
241.08743	10.1
245.08145	6.1
261.14957	8.1
289.07208	11.3
290.07745	1.4
297.11276	1.6
310.08420	1.8
325.10889	2.5
341.10049	2.4
350.11411	1.5
356.12860	1.7
357.09714	2.9
423.18121	2.9
446.13901	1.9
543.20544	5.2
561.21295	6.2
578.00714	1.7
612.75653	1.6
633.40887	1.7
681.24268	3.0
713.26154	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	713.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14000	0.7
52.79029	0.8
52.87907	0.7
59.01387	100.0
74.25471	0.8
81.58470	0.8
92.19427	1.6
111.57758	0.8
117.45853	0.8
121.02958	72.6
141.15033	0.8
147.04474	1.0
165.09201	1.5
175.07707	1.4
207.10286	1.2
301.93610	0.9
369.16861	1.2
419.66037	0.9
554.29559	1.0
629.25928	1.3
659.41571	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	713.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
67.06789	0.8
75.77759	0.8
75.79395	0.7
107.39922	0.8
121.22091	0.8
129.23650	0.8
141.48035	0.8
144.13904	0.8
146.83524	0.8
247.43123	0.8
328.69034	0.8
713.26056	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	713.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21560	5.3
54.30962	5.3
55.75854	5.5
56.75069	5.4
59.01395	11.0
68.50214	6.1
71.01353	45.7
73.02944	27.5
79.35573	6.1
83.01365	7.3
85.02939	8.4
101.02435	39.2
103.25210	6.6
109.02883	9.4
113.02460	30.2
116.39540	6.7
125.02438	83.8
137.02493	11.7
151.03990	27.5
157.15306	6.1
161.02455	9.6
165.01904	10.2
175.04004	26.6
177.01854	14.9
180.20451	6.3
217.05037	13.0
243.03026	59.0
255.02879	35.9
256.03766	7.0
289.07217	8.5
385.22061	9.0
407.07654	42.7
425.08847	10.0
429.21292	100.0
485.82645	8.1
525.08075	8.8
543.11035	7.1
695.14319	12.1
716.55530	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	713.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
67.22701	0.9
71.54964	0.7
82.95401	1.4
83.02494	1.8
99.52596	0.8
102.29810	0.9
108.50864	0.8
109.02966	1.0
110.89614	0.8
118.46478	0.8
123.04502	1.5
125.02384	1.6
137.02417	2.0
161.02432	1.8
163.04021	1.3
187.57552	0.8
203.07239	1.6
205.05112	1.2
245.08125	4.6
261.14923	1.9
286.04907	0.8
289.07068	6.3
356.31686	1.1
456.76285	0.9
543.20026	1.2
561.21265	3.8
592.37225	0.9
713.26019	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	713.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72182	0.7
59.01385	100.0
72.66026	0.7
72.95177	0.7
88.98810	4.2
107.10789	0.9
116.92851	1.7
117.87873	0.9
125.02486	1.1
127.53230	1.0
129.69830	0.8
167.68703	0.9
249.76830	0.9
273.79276	0.9
365.81729	0.9
611.27087	5.2
674.38721	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	713.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.03749	1.5
63.60382	1.3
88.45678	1.4
101.63625	1.6
109.02921	2.1
119.54829	1.6
125.02430	2.7
125.25529	1.5
137.02452	2.4
151.04025	2.0
161.02429	3.0
179.03464	1.9
187.04146	2.0
203.07111	2.8
213.12544	1.6
245.08020	2.2
289.07080	12.6
300.12848	1.5
322.51270	1.6
358.23981	1.6
382.13510	1.5
447.87241	1.8
512.32922	1.4
543.20367	2.3
561.20697	5.0
713.26001	13.2
725.76508	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	713.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46965	1.0
59.01385	100.0
67.23534	1.1
69.94731	1.0
78.93277	0.9
79.26853	0.9
109.02919	1.5
112.46371	0.9
113.41033	0.9
116.92844	1.1
141.92247	1.0
151.03960	1.1
161.02437	1.5
165.49435	1.0
168.39424	1.1
177.43637	1.0
203.07097	1.8
205.05045	1.1
207.79225	1.0
245.08243	1.4
289.07153	6.0
338.76556	1.0
402.41019	1.1
423.17743	1.6
561.21344	2.3
713.25635	6.9
719.53394	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	713.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62336	1.4
55.95930	1.3
59.01384	100.0
64.30369	1.5
66.34814	1.6
71.01387	36.1
73.02945	2.0
85.02956	2.5
87.00851	2.4
89.02443	48.5
95.01378	2.6
101.02452	24.8
113.02433	20.1
116.92870	9.9
119.03511	16.0
130.33136	1.8
143.03488	2.9
149.04590	1.8
161.04549	4.1
179.05652	28.0
180.12178	1.8
233.11647	2.4
311.16537	10.2
353.17795	2.4
354.32602	1.9
371.18692	17.2
413.19592	3.3
422.15637	2.3
441.23291	1.8
675.61945	2.2
713.35382	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	713.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51742	3.2
59.01385	4.6
67.26247	3.9
77.72849	3.9
103.64223	4.0
172.54675	4.3
220.03835	5.0
279.23483	6.6
397.13431	20.0
677.36835	6.8
713.35278	100.0
713.47021	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	713.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16772	0.8
55.60353	0.9
57.09082	1.1
57.83100	0.8
58.56689	0.8
59.01380	5.0
63.76559	0.9
66.67943	0.9
71.01373	2.4
74.96665	0.9
83.56204	1.1
92.19444	1.3
97.02945	6.6
105.07062	1.5
108.05798	4.4
109.02960	2.3
109.69951	1.0
111.04496	6.3
111.08173	1.3
113.06119	4.4
116.92868	1.0
121.06583	1.4
122.03799	1.0
123.08162	4.5
125.06068	13.1
129.22469	1.0
136.05325	2.2
137.06090	1.8
138.03227	1.1
138.06871	7.5
139.04025	1.2
139.07646	19.7
148.05309	1.8
151.07648	39.9
152.04791	5.2
152.08434	16.3
153.09215	13.8
159.11760	1.2
161.09734	1.2
163.07669	5.5
167.07072	3.4
201.12820	16.9
203.10789	1.2
204.11543	28.6
219.13901	55.6
263.12888	100.0
296.11639	1.1
618.31458	1.2
713.35242	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	713.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
67.70386	1.7
89.02431	3.2
101.02434	2.1
134.48705	1.7
139.51486	1.7
167.10794	2.0
179.14461	3.8
183.13902	10.2
193.12318	1.9
195.13907	12.0
205.12343	8.9
211.13391	100.0
218.53412	1.9
223.13391	62.6
249.87117	2.3
253.09154	7.3
355.92682	1.8
402.68347	1.8
447.22293	7.8
459.22235	4.0
487.24347	2.2
627.52612	1.9
635.34625	12.9
653.35321	24.6
713.34381	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	713.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39977	1.0
57.63097	1.2
59.01102	2.0
59.01386	34.4
59.01677	1.5
65.83825	1.4
71.01386	20.8
73.02938	2.9
83.01398	1.7
85.02946	2.6
87.00865	5.5
89.02443	31.5
89.36861	1.4
95.01334	1.8
97.02950	4.7
101.02436	23.9
113.02423	14.1
119.03504	5.5
125.02451	7.4
143.03574	1.5
148.82433	1.2
161.04530	3.1
179.05562	2.3
235.08229	6.9
255.23300	99.5
305.08844	1.7
397.13544	100.0
415.14636	24.0
608.81720	1.6
653.26758	1.7
653.37683	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.475
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
53.64499	0.7
60.21473	0.6
83.04490	0.7
88.13915	0.7
92.19434	1.2
96.32040	0.6
122.41591	0.7
154.68687	0.7
168.60475	0.7
191.05681	1.4
465.38425	0.7
713.47449	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	713.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17359	0.6
56.43998	0.6
56.51805	0.6
57.62862	0.7
69.50117	0.7
73.60318	0.6
82.28449	0.7
98.98956	0.6
101.93560	0.7
124.51437	0.7
149.06073	7.2
250.66847	0.7
281.24866	100.0
364.19067	0.7
383.59802	0.7
416.32910	1.1
431.35278	9.6
453.94385	0.7
705.50360	0.7
733.70569	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	714.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65084	0.3
53.03466	0.3
56.58656	0.3
57.16003	0.4
57.74184	0.3
59.01376	0.9
61.72218	0.4
61.98836	100.0
64.36131	0.3
67.76392	0.4
71.01393	0.5
82.48027	0.3
85.86878	0.3
98.15406	0.4
130.21802	0.4
160.05934	0.4
166.46858	0.4
174.10330	0.5
189.12852	5.9
190.13235	2.5
208.09734	0.4
233.11861	7.2
234.12207	4.2
320.69690	0.4
468.98819	0.4
520.07446	0.5
552.10419	1.5
620.19379	0.4
642.24225	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	714.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65084	0.3
53.03466	0.3
56.58656	0.3
57.16003	0.4
57.74184	0.3
59.01376	0.9
61.72218	0.4
61.98836	100.0
64.36131	0.3
67.76392	0.4
71.01393	0.5
82.48027	0.3
85.86878	0.3
98.15406	0.4
130.21802	0.4
160.05934	0.4
166.46858	0.4
174.10330	0.5
189.12852	5.9
190.13235	2.5
208.09734	0.4
233.11861	7.2
234.12207	4.2
320.69690	0.4
468.98819	0.4
520.07446	0.5
552.10419	1.5
620.19379	0.4
642.24225	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	714.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09531	0.3
59.01387	1.9
61.98836	100.0
75.37171	0.3
82.33929	0.3
88.59264	0.3
99.60124	0.3
113.79615	0.3
134.25977	0.3
178.09299	0.3
331.05948	0.5
375.05069	3.4
376.05475	3.4
714.15417	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	714.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.18848	1.3
74.61540	1.3
148.34634	1.3
182.57930	1.3
294.49417	1.4
324.21030	1.7
509.63272	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	715.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54540	1.2
58.97439	1.2
59.01370	1.6
70.04489	1.3
71.01388	11.2
71.64398	1.3
72.61105	1.3
73.02951	1.6
85.02998	1.8
92.19447	2.5
98.31950	1.4
99.00861	2.5
101.02424	5.5
108.28548	1.5
115.00361	39.7
117.03471	2.4
119.05003	24.4
125.02457	1.9
142.05896	1.6
145.02956	100.0
154.30069	1.4
161.04561	18.3
163.04005	25.0
165.55705	1.7
175.06134	10.9
193.07193	44.6
211.07664	66.5
217.20050	1.3
223.07622	1.8
237.09157	2.7
265.08676	7.2
273.06134	12.4
291.07254	35.6
309.07675	7.1
339.10867	83.2
386.96149	1.7
454.00873	1.6
467.14081	16.5
485.14642	8.7
503.15775	15.2
614.89514	1.8
648.48480	2.0
679.22699	5.9
715.20343	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63457	0.6
55.71155	0.5
58.02979	4.4
59.01393	1.1
62.41217	0.5
66.65971	0.5
69.35598	0.6
70.02971	6.0
71.25979	0.6
72.04543	1.3
74.02473	33.4
88.98808	2.9
98.02475	6.6
99.04538	2.0
101.02441	8.2
102.70795	0.8
116.03528	19.0
116.05027	6.0
130.06615	0.7
131.03494	0.9
151.11269	1.0
159.09258	2.5
162.04146	0.7
182.66632	0.6
186.05492	0.9
191.05598	0.9
201.10356	7.1
203.08275	67.4
223.88150	0.7
223.90227	0.6
242.97501	0.7
245.09309	100.0
257.03180	0.7
289.08304	4.9
289.16592	14.7
315.05099	1.4
318.71841	0.7
384.95874	0.8
407.15622	0.8
442.86255	0.7
619.61273	0.8
625.17200	0.9
715.37726	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	715.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20423	1.2
57.92143	1.5
59.01385	100.0
60.22688	1.4
84.95464	1.5
85.46014	1.7
163.06514	1.6
221.60699	1.6
344.23810	1.7
359.71942	1.8
378.12061	1.7
422.55630	1.8
615.09039	1.6
713.92847	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	715.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
68.87249	0.5
71.60824	0.5
79.77831	0.5
83.26755	0.6
88.94881	0.6
105.41716	0.7
107.73164	0.6
121.02954	100.0
134.48250	0.6
527.79297	0.7
685.50452	0.7
715.33929	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	715.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.5
60.31030	0.8
65.85619	1.0
73.26529	1.0
77.41916	1.1
103.56032	1.0
121.02950	100.0
177.38712	1.0
370.49307	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	715.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.86139	1.0
71.01379	10.6
79.21323	1.2
89.02440	15.7
90.63988	1.1
101.02444	7.3
113.02448	8.4
116.92796	1.2
119.03465	4.9
125.02421	1.3
161.04584	1.1
168.86464	1.2
179.05566	6.8
238.38286	1.1
301.62204	1.4
449.22092	1.1
475.23999	1.4
493.24527	10.0
535.25232	2.7
553.26453	19.8
595.27692	6.0
613.74133	1.3
655.29962	9.5
731.23712	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	716.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79301	1.0
59.01389	1.4
61.98835	100.0
63.17862	1.1
63.49590	1.2
79.42460	1.1
81.72472	1.2
81.98872	1.0
145.04630	1.0
150.19521	1.0
152.65744	1.3
193.57169	1.4
267.97299	1.2
287.93036	1.2
304.62912	1.2
391.98782	1.2
405.82144	1.1
452.45615	1.1
559.00287	1.2
606.89514	1.2
725.03760	1.1
744.49335	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	716.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23248	1.4
50.43466	1.4
54.74139	1.3
58.02969	8.1
65.79386	1.4
65.96745	1.4
70.02982	3.7
79.29074	1.6
82.43890	1.4
85.75801	1.6
87.72469	1.5
91.05511	7.2
136.52235	1.6
147.04547	19.5
164.07179	74.1
199.76920	1.7
199.96608	1.6
206.08238	100.0
250.07260	3.9
284.23904	2.0
435.14133	1.8
490.49783	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	716.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98835	100.0
62.85777	0.3
71.01395	0.6
74.57195	0.4
80.70362	0.4
86.22013	0.4
88.00893	0.4
89.02443	0.9
89.72791	0.4
92.19447	1.1
101.02481	0.5
105.28963	0.4
138.27574	0.4
152.74786	0.4
177.89674	0.4
178.32513	0.4
210.79573	0.4
219.50198	0.4
255.23363	1.5
256.23645	1.7
257.23975	0.5
398.13852	0.6
399.14148	1.5
400.14474	0.6
656.38831	1.6
661.69885	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	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96854	1.5
53.97403	1.6
59.01385	38.6
69.27641	1.8
71.01365	13.1
81.25518	1.9
89.02442	14.9
113.73057	1.6
121.02951	100.0
128.08931	2.1
138.77678	1.7
147.04480	4.2
165.09225	11.4
319.15533	12.4
451.19608	13.6
475.19760	9.6
535.21960	18.3
564.23798	2.3
597.24420	2.5
615.24054	2.5
657.25592	26.2
717.29596	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	717.2908
Annotation	Visudyne
Peak:m/z	Relative Intensity
52.07856	8.0
57.71280	9.0
63.50639	9.3
77.61884	9.4
92.20088	19.3
116.77390	9.9
116.92873	12.0
121.02927	10.9
125.78071	10.0
385.47751	11.2
717.29248	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	717.2925
Annotation	Visudyne
Peak:m/z	Relative Intensity
56.50562	1.1
59.01384	2.0
83.01382	6.2
85.37772	1.1
91.41980	1.2
104.15374	1.1
109.40031	1.2
121.02972	1.9
122.03700	1.4
123.04523	1.9
147.04517	5.1
165.05540	11.4
177.04178	1.3
205.05132	1.5
258.08987	2.8
268.06995	1.5
269.08212	1.9
281.08069	1.5
301.10840	2.0
404.52692	1.3
471.13882	1.8
477.15729	2.3
488.14816	2.6
491.17252	13.8
503.17050	15.0
505.18680	4.8
517.18512	1.6
521.18298	6.8
535.19739	4.7
580.99298	1.3
642.95306	1.5
671.25305	2.6
687.28174	5.4
699.28082	1.9
716.49170	1.3
717.29309	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	717.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96090	1.0
70.04322	1.0
82.41778	1.0
104.26162	1.1
109.02956	1.5
112.86807	1.1
123.04509	1.7
126.03313	1.3
136.01645	1.8
137.06091	7.2
139.16403	1.1
139.37378	1.0
151.04044	8.6
152.84407	1.1
154.02704	1.9
209.04524	8.8
231.10254	18.5
233.83182	1.1
284.13644	1.1
285.14795	1.3
312.13632	2.2
313.14468	9.6
313.18121	21.8
327.15973	1.4
328.16791	38.9
328.20465	1.7
329.17618	100.0
332.32584	1.3
338.49982	1.1
422.54541	1.4
433.20419	4.3
537.21588	10.6
666.13080	1.2
717.29315	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45973	0.3
59.01385	5.5
69.57925	0.3
71.01379	1.2
72.16019	0.3
73.17654	0.3
83.01436	0.4
84.03957	0.3
89.02458	1.6
92.75114	0.3
94.50504	0.4
101.02449	1.7
109.86277	0.4
113.02443	0.5
119.03554	0.4
121.02953	100.0
150.86009	0.4
161.04573	0.5
165.05602	0.7
179.05479	1.1
221.06705	0.5
249.82948	0.3
517.24512	1.9
518.53363	0.4
595.28040	1.5
717.29022	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	717.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08370	0.5
59.01386	7.0
67.58335	0.5
72.54721	0.5
72.99297	7.0
73.76221	0.5
77.91164	0.5
80.52723	0.6
87.00864	2.3
109.90814	0.5
119.05034	6.5
128.35756	0.5
147.04523	56.2
163.05661	0.6
165.05563	100.0
192.62558	0.5
217.48102	0.5
377.14548	0.6
717.28607	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	717.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
61.98835	24.0
63.55629	4.3
65.84851	5.6
83.23586	5.1
86.98443	4.9
88.98812	10.5
101.02399	7.5
121.02944	20.6
133.34071	6.7
155.10764	6.2
174.05443	6.2
179.07205	7.8
269.04581	12.9
295.09485	5.6
359.28064	25.5
519.31470	11.5
657.27570	26.7
669.27295	21.8
681.26849	6.2
687.28162	8.9
717.32861	100.0
734.83392	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	717.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	7.2
70.59003	6.8
83.42371	5.8
90.47477	6.1
108.02132	6.7
115.57946	6.4
121.02951	10.8
131.78510	5.7
132.45187	7.3
146.61371	7.7
528.18054	7.2
717.32794	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	717.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36237	0.9
59.01385	37.6
59.09871	0.8
71.01382	23.4
71.73673	0.9
85.02958	1.6
89.02443	43.8
95.01361	1.1
101.02443	19.9
107.08685	6.5
113.02435	14.7
119.03487	14.7
125.02403	1.6
161.04558	1.2
178.34795	1.0
178.66632	0.9
179.05560	6.1
191.69872	0.9
228.38141	1.0
331.14017	100.0
331.17444	4.5
377.71613	1.0
657.34381	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	717.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
77.12583	0.3
89.50254	0.3
96.49963	0.4
117.03448	0.5
133.02965	7.6
135.04521	1.5
161.02441	100.0
179.03494	1.5
207.81277	0.3
216.36575	0.4
269.21234	4.1
285.20715	11.9
287.22174	1.5
345.23904	0.4
413.23294	2.3
431.24466	1.2
463.47571	0.3
717.45953	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35492	41.5
59.01384	100.0
63.00109	42.6
80.83187	48.0
84.25767	48.0
100.53825	43.7
110.66433	50.8
125.02417	51.7
147.04459	44.4
160.92221	47.8
164.11787	54.2
182.04544	54.6
214.50388	55.0
294.18811	48.1
399.57681	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66570	1.7
55.02789	1.6
55.30683	1.9
60.22972	1.8
74.93552	2.2
109.02933	3.5
110.44028	3.0
123.04488	8.6
125.02419	50.6
129.83180	2.0
137.02426	3.4
137.23506	2.0
149.02484	4.1
160.17822	2.5
161.02419	14.2
163.00407	2.8
163.04140	2.9
164.01164	3.8
165.01910	10.3
167.03496	29.4
175.04057	15.2
177.01917	3.2
189.01941	2.5
199.04018	8.8
203.03558	3.3
215.03537	4.0
217.05000	2.9
225.05664	3.1
227.03473	8.3
229.05075	2.7
237.05524	3.2
239.03439	4.1
241.05045	10.5
243.02997	15.5
245.04594	2.1
255.02936	13.9
255.06612	3.3
257.04459	4.1
265.05109	11.1
267.03000	7.9
269.04501	8.6
279.06610	3.1
281.04532	13.0
281.07648	2.5
283.02539	12.1
283.06070	12.2
285.04007	4.7
287.05460	4.7
293.04547	5.1
295.02414	10.5
296.03220	12.2
297.04031	19.9
305.04596	4.0
307.02881	2.8
307.06085	12.9
309.04141	24.8
311.05655	4.1
323.01871	5.2
325.03494	10.0
325.07037	4.1
326.04401	3.1
327.05060	4.5
335.01917	2.8
336.02832	2.9
337.03430	5.0
338.04089	2.5
351.05133	3.8
361.07129	4.1
407.07669	20.6
423.07275	14.2
445.05460	3.3
447.07184	14.4
449.08768	9.2
461.04993	4.8
481.64752	2.3
487.06735	15.5
531.12848	4.4
551.08539	2.9
557.11237	3.7
567.07800	4.9
575.12073	100.0
613.10101	21.6
680.25732	2.2
701.11816	4.8
719.12671	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.0
71.01391	2.9
89.02441	11.7
93.83303	1.3
101.02428	2.7
113.02455	2.2
113.53989	1.5
119.03503	1.9
179.05641	3.3
241.90385	1.5
341.11078	12.2
377.08572	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	719.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22477	1.3
56.32733	1.2
59.01376	1.7
60.99312	14.8
68.07610	1.8
86.28008	1.5
87.00875	5.8
88.00399	5.8
88.98806	100.0
89.02443	36.0
101.37680	1.4
125.02436	3.6
147.04482	6.3
151.03970	1.6
299.98996	1.5
409.75519	1.4
659.31921	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	719.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.9
59.01388	88.8
63.62482	2.0
71.01383	51.2
75.67378	2.2
76.80247	1.8
77.10151	1.7
89.02448	88.0
95.01385	3.3
101.02448	45.6
104.11931	1.9
113.02443	32.4
119.03497	36.2
133.61305	2.3
143.03537	4.8
161.04536	4.5
164.04785	37.2
165.05473	2.7
179.05589	31.1
179.07152	45.8
197.04482	3.5
197.08141	2.3
249.55437	2.3
286.40897	2.2
359.09195	4.0
359.13528	100.0
373.11212	3.9
384.58163	2.3
440.85312	1.8
485.68326	2.2
487.53674	3.1
589.27405	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	719.2934
Annotation	Taxusabietane E
Peak:m/z	Relative Intensity
54.94639	1.5
59.01387	56.2
77.78057	1.5
87.00907	2.0
88.98793	2.2
89.02442	10.9
90.77962	1.9
92.73450	1.7
116.92849	1.6
121.02959	100.0
125.02429	6.9
134.32278	1.7
438.40512	1.6
599.24414	3.2
617.25916	18.5
659.27051	30.3
698.68036	1.9
719.30109	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	719.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.5
59.31076	0.6
95.36506	0.7
145.72121	0.8
189.34741	0.7
211.07756	1.1
227.10783	100.0
283.13403	14.6
301.14575	3.5
312.26770	0.8
511.25082	8.4
585.28632	61.1
659.32355	18.9
702.84064	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	719.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	4.3
59.01385	98.3
59.04131	2.5
62.53374	2.3
71.01385	55.8
85.02953	4.6
87.00856	3.6
89.02444	100.0
90.10335	2.6
95.01411	5.5
96.89684	2.5
101.02456	40.2
102.06669	2.6
105.06343	2.6
112.04195	2.5
113.02447	28.9
119.03488	29.7
125.02398	3.0
131.03479	3.4
143.03487	3.5
161.04567	13.8
163.03999	4.3
165.05511	5.4
177.51479	2.3
179.05617	70.6
199.87430	2.6
213.78110	2.8
219.17809	2.4
315.02249	2.6
497.27603	4.0
659.32666	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08272	0.9
57.03452	1.3
57.40784	0.8
61.98837	100.0
84.61671	1.1
116.92842	8.2
117.92841	1.0
119.68194	1.0
121.02910	2.1
123.04467	1.2
124.26457	1.1
125.02442	12.2
138.03255	1.0
139.27426	0.9
151.03993	1.4
161.02499	1.5
175.04012	1.0
179.03543	1.3
228.17259	1.0
236.88911	1.1
243.02905	1.1
265.92792	1.0
308.10147	1.2
343.88577	0.9
400.63647	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	720.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55472	2.0
55.72346	2.2
57.30246	2.4
65.38364	2.2
81.75340	2.2
88.50192	2.2
89.07239	2.3
93.18810	2.4
93.34012	2.1
124.66967	2.2
125.02422	10.2
171.79593	2.4
231.10194	18.0
254.17647	2.7
301.77750	2.6
312.13669	13.7
327.16043	75.7
328.16861	5.9
329.17615	100.0
577.35803	2.8
657.34497	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	721.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48246	2.5
52.82747	2.6
59.04899	2.5
59.31862	2.2
75.00844	2.9
96.96028	6.4
105.01938	4.7
109.02914	4.6
111.12209	2.8
125.02433	29.2
128.83310	2.8
133.52229	2.8
137.02438	28.9
139.04094	3.3
139.38075	3.6
149.89772	3.1
151.00328	10.8
151.03976	6.0
161.02396	20.3
163.00368	46.3
164.01131	6.2
165.01933	26.7
173.04543	5.5
175.03970	3.1
176.01140	5.8
177.01932	15.2
177.20787	2.6
179.03522	4.6
187.03836	2.8
189.01926	5.7
202.99809	4.0
203.07141	5.4
205.01508	3.0
205.05182	3.2
209.00865	15.2
215.03459	4.2
217.01428	6.0
227.03362	3.0
239.03514	5.9
240.04225	3.2
241.05022	3.0
243.02950	6.1
245.08125	13.5
250.01035	3.4
251.01950	3.7
253.05142	5.1
255.03015	12.2
257.04553	11.7
267.02979	17.6
268.03925	6.7
269.04483	30.5
270.05273	20.8
271.06067	4.5
281.04550	20.2
283.02567	23.2
285.03918	6.3
289.07132	17.1
294.01675	6.3
295.02484	22.4
296.03201	5.9
297.03903	20.4
299.05521	4.1
309.04086	3.5
311.02145	4.1
312.02704	12.8
313.03531	18.6
323.13531	3.2
325.03525	12.1
327.05014	6.5
341.02887	3.5
364.44843	2.8
379.21982	2.9
419.07852	10.1
421.09335	18.3
421.60516	3.4
445.05484	3.7
447.07275	6.1
456.15591	3.3
463.06790	64.0
465.08371	26.6
493.07596	12.3
577.13086	3.5
615.01929	5.1
615.11603	100.0
661.11981	14.5
665.39990	3.3
703.12396	11.4
721.14215	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	721.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77180	1.6
57.03476	1.6
79.87644	1.8
87.29235	1.6
87.29786	2.0
97.82340	1.8
101.74669	1.8
102.61694	2.1
105.01921	4.7
107.83871	1.8
109.02943	12.5
121.02898	3.4
123.04504	4.2
125.02437	35.9
137.02448	29.2
149.02412	4.4
151.00354	4.0
151.04018	7.6
161.02443	24.9
161.05995	2.1
163.00378	86.0
164.01161	14.9
165.01932	30.6
175.03975	7.2
176.01140	9.6
177.01913	11.9
179.03517	4.7
189.01956	8.4
193.01483	2.5
201.01840	2.1
202.99829	3.8
203.03439	2.9
203.07086	9.2
204.00519	3.2
205.01442	13.2
205.05121	3.3
206.02184	2.5
207.03004	2.2
209.00945	24.4
213.02011	2.9
213.05592	2.8
215.03555	3.2
215.07024	2.1
217.01335	3.3
223.02408	2.4
229.05159	2.6
231.02831	2.3
239.03546	3.3
241.05083	7.7
243.02983	11.4
245.04416	4.0
245.08263	17.8
250.01344	3.8
251.01915	18.0
253.04932	10.1
255.02985	9.1
256.03711	3.1
257.04507	10.2
267.03015	15.5
268.03748	10.8
268.94611	2.1
269.04596	25.9
270.05338	19.7
271.06149	2.9
281.04526	14.3
283.02502	37.5
285.04050	3.6
289.07187	27.4
290.00684	3.0
294.01740	9.7
295.02502	17.0
296.03238	11.1
297.04111	16.9
299.05484	3.3
307.02844	2.1
309.03937	3.9
311.01962	10.1
312.02744	13.9
313.03497	10.1
323.01923	3.3
324.81598	1.9
325.03485	12.3
327.05057	3.1
407.07632	4.8
413.05194	2.7
419.07700	12.3
421.09232	12.3
425.08768	3.5
445.05637	8.7
447.07245	11.7
451.10550	3.8
463.06760	89.2
463.13232	4.0
465.08401	23.1
492.07135	3.8
493.07791	12.9
551.08374	2.6
577.13776	18.2
615.11603	100.0
661.11981	11.0
703.13495	20.2
721.14655	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	721.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26469	1.9
65.72705	1.9
66.04725	1.9
83.01393	10.9
92.19465	2.4
93.03458	4.9
95.05041	3.4
97.02956	11.1
109.02952	38.8
113.06159	2.9
116.92847	11.0
121.02936	23.6
121.16355	2.4
123.04520	31.8
123.96831	2.2
125.02438	32.9
133.06596	10.1
135.04503	13.3
137.02446	13.6
139.04044	4.9
145.06653	2.9
149.02449	26.2
151.03999	22.4
157.06598	11.4
159.04463	3.1
161.02437	29.5
161.06035	11.8
163.00455	2.5
163.04030	19.6
164.01138	2.9
165.01938	8.9
166.47813	2.6
171.08232	3.0
173.05986	2.4
175.03986	7.8
177.01933	5.0
179.03526	12.5
179.25142	2.3
181.05086	24.7
187.04050	12.3
188.04851	5.3
189.02029	3.0
200.16461	2.4
201.05539	12.4
203.03523	3.7
203.07162	23.8
205.05051	43.9
208.32785	2.4
213.09314	2.6
215.07361	2.5
218.76685	2.2
220.03799	8.5
221.08179	3.6
227.07095	3.4
229.05086	2.5
231.03001	3.2
243.06726	3.5
245.08205	31.4
247.06091	14.4
255.06633	35.0
257.08218	24.6
267.06680	11.2
269.08167	8.5
289.07208	78.5
294.05267	3.7
295.06216	9.2
296.06866	10.0
297.07809	4.6
311.26169	2.4
325.07233	2.8
356.05582	2.6
407.11362	27.3
419.11426	56.8
437.12463	69.2
569.16620	8.8
627.17737	2.7
721.21497	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	721.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67823	0.9
59.01382	50.3
71.01383	23.6
83.01379	1.7
85.02940	5.5
89.02444	34.3
95.01344	1.7
101.02430	17.0
109.02962	2.8
113.02475	11.5
119.03500	10.5
119.04942	1.4
121.02924	1.8
123.04524	1.9
125.02447	9.2
133.01450	1.9
151.03996	1.5
161.02405	1.5
163.04059	3.0
166.06367	2.5
176.57188	1.6
177.02045	1.6
181.08696	20.9
205.05066	2.7
209.08153	2.5
225.76752	1.3
227.07175	1.3
245.08168	3.0
251.09229	11.3
289.07141	16.5
407.94583	1.4
431.15570	100.0
494.36118	1.3
623.01935	1.4
707.75055	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	721.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32795	1.1
58.00617	1.5
59.01385	25.2
71.01390	19.2
75.69148	1.2
83.94238	1.2
85.02937	2.7
85.42696	1.3
87.00875	3.1
89.02448	27.5
101.02445	8.6
101.35287	1.3
113.02438	7.9
119.03503	9.6
119.05011	2.0
134.03760	9.0
135.04530	100.0
139.04018	31.0
143.03487	1.7
145.02966	15.2
147.04532	10.3
150.25650	1.6
150.68971	1.5
161.02431	6.2
161.04604	4.6
162.03224	18.7
165.05563	27.0
177.05577	4.9
179.05605	20.1
179.58600	1.4
180.04292	5.2
183.02969	1.8
195.06622	12.9
220.72116	1.4
221.98172	1.6
297.09845	17.1
327.10931	8.7
343.73920	1.3
345.08405	13.3
357.11954	25.7
375.13031	21.5
575.12042	2.6
731.54242	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	721.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85192	0.9
72.49957	1.0
74.66350	0.9
74.78073	0.8
82.98259	0.8
102.22733	1.1
121.02962	16.8
123.04528	1.0
137.02443	1.1
155.10892	1.1
165.05534	7.0
167.07080	1.1
231.69038	1.0
258.09100	1.4
271.09726	1.1
301.10977	1.8
315.12448	5.5
325.10690	1.2
327.12335	1.3
389.57843	1.1
412.98441	1.0
475.18021	1.0
477.19119	4.0
481.18393	2.2
492.17569	1.5
495.20331	16.0
507.20435	19.7
509.21860	8.2
521.21906	1.3
525.21228	13.6
539.22827	7.0
545.23590	1.5
595.35504	1.0
675.27954	4.4
721.32483	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	723.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41937	4.2
58.21001	4.1
83.01420	7.5
88.75865	4.5
97.02987	4.0
105.01911	6.8
109.02987	7.5
116.00952	4.3
121.02952	4.6
123.04548	10.3
125.02457	100.0
137.02443	18.0
139.44389	4.3
145.01448	15.1
148.18140	4.6
149.02509	7.0
151.00368	33.4
151.04045	6.2
161.02414	33.3
163.00333	6.0
165.01965	33.7
167.03503	5.7
175.04031	7.4
177.01895	19.4
179.03461	5.4
193.01334	6.9
203.07143	21.2
205.01372	6.4
205.05049	18.2
207.03073	5.2
229.05011	5.2
231.02934	4.2
231.77650	4.4
243.06790	6.8
245.04630	4.8
245.08148	28.2
247.06224	5.3
269.04437	5.3
283.90491	5.4
287.05576	4.6
289.07089	54.7
315.05353	13.1
329.06592	6.8
341.06677	4.7
357.06177	7.0
407.07864	9.5
433.07355	7.3
435.09225	20.1
543.30573	5.1
571.11237	20.2
572.24225	4.9
577.13690	17.6
597.12421	5.2
705.14606	9.5
706.15997	4.3
723.15759	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	723.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92765	1.9
55.29932	2.1
59.01382	1.8
71.01390	2.6
78.90347	2.4
85.65677	1.8
97.02935	2.4
109.02963	22.2
121.02954	3.1
123.04546	8.6
125.02425	28.2
133.02960	3.8
134.03731	5.0
137.02446	37.8
149.02434	8.5
151.04024	17.3
159.04578	2.2
161.02449	58.7
161.06055	4.0
163.03973	2.8
165.01920	4.9
167.03525	2.9
175.03888	2.8
177.01933	54.2
179.03490	13.6
187.03949	3.8
188.04784	3.5
193.05037	15.1
203.03395	2.9
203.07123	18.1
205.01303	4.1
205.05020	14.5
212.09215	2.4
221.08282	3.4
227.03429	3.4
227.07115	4.4
229.05086	10.8
245.08197	36.4
269.04477	10.7
271.06152	76.0
273.04297	2.8
289.07202	64.5
297.07770	3.4
299.05548	2.6
300.02667	3.3
311.05615	9.5
321.04019	4.9
321.07593	4.7
323.05576	9.8
339.05142	3.1
357.13828	3.4
419.07800	11.1
433.09439	19.9
451.10339	20.3
459.07214	5.1
553.11047	9.9
571.12439	47.6
627.41400	3.4
690.90259	2.7
723.17273	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	723.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.70957	2.1
63.70737	2.5
91.66287	3.3
106.26521	2.9
109.02946	10.5
110.68443	2.9
113.14388	3.2
123.04510	13.0
125.02435	100.0
128.20622	3.0
136.35942	2.7
137.02428	12.6
145.03000	6.5
149.02412	6.0
151.03981	14.4
161.02443	57.6
163.03911	3.2
165.01880	5.0
177.01942	22.7
189.01949	6.5
203.07062	4.5
217.01390	18.9
219.56616	3.0
231.02953	4.0
243.06581	3.7
245.04514	3.7
255.06422	4.4
257.04636	3.3
259.06104	11.5
271.06134	23.0
281.04565	11.5
283.06094	11.9
287.05643	14.4
289.07196	13.9
297.07568	3.6
341.06628	37.1
389.06607	4.4
391.08240	14.1
419.07416	3.8
433.09323	6.7
435.10468	3.6
459.07193	20.1
553.11505	40.0
563.11304	3.1
571.12360	51.4
597.14093	7.2
723.17096	90.8
754.02252	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	723.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03053	2.3
54.63620	2.6
68.77601	2.8
75.00890	3.4
79.25582	3.0
83.01393	4.2
84.11504	2.8
92.19409	4.9
97.02962	3.7
97.63344	3.5
109.02935	24.6
116.92847	24.7
118.72413	3.2
119.93964	3.6
121.02950	17.4
122.03742	4.1
123.04501	17.3
123.91409	3.0
124.01662	23.3
125.02436	50.0
137.02405	33.9
139.04068	5.2
149.02443	6.6
150.03177	7.8
151.03989	17.1
161.02451	49.9
162.03294	4.2
163.03987	4.5
164.01164	13.6
165.01875	12.3
167.03505	3.5
167.28386	3.1
175.03978	4.4
177.01999	6.5
179.03528	12.7
187.03963	14.6
187.07648	6.0
188.04770	4.5
201.05223	3.8
202.06386	3.8
203.07132	19.2
203.10777	20.6
205.01642	3.5
205.05052	15.0
221.08118	4.9
227.07219	5.9
245.08122	28.3
256.03723	7.3
271.09753	100.0
281.04587	7.1
283.09949	3.5
287.13989	3.1
289.07181	77.4
299.05527	4.9
333.11142	4.9
375.12531	3.5
401.10123	5.5
419.11438	5.6
433.13095	26.2
435.14435	4.7
451.10461	21.6
553.15082	53.2
571.16125	68.3
597.17590	5.2
705.19543	3.8
723.20752	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57685	2.1
55.26665	2.1
59.01368	3.1
75.00883	3.4
96.96030	3.8
97.02965	3.2
105.35593	2.6
109.02952	30.3
116.92836	11.7
123.04517	13.4
124.01630	26.1
125.02424	21.0
135.04523	3.2
137.02437	34.0
139.04010	3.9
145.62563	2.5
149.02434	6.0
150.03259	10.7
151.04056	18.4
151.61865	2.5
159.35120	2.9
161.02443	43.7
161.06087	4.4
163.04033	4.6
164.01166	10.7
165.01941	5.0
172.83720	3.1
175.03931	4.9
177.01868	3.7
179.03526	5.5
187.03984	13.5
188.04810	6.4
188.08385	2.5
189.01920	3.3
203.07216	22.0
203.10814	30.4
205.05020	22.5
206.26180	2.6
221.15532	3.1
229.05035	2.5
229.08592	3.3
231.02966	2.9
245.04463	4.6
245.08165	29.7
255.03151	3.5
256.03781	5.9
271.09760	100.0
281.04578	15.6
289.07184	87.8
299.05530	4.8
321.11154	9.2
353.64041	3.0
375.12085	3.9
391.11874	3.4
419.11221	5.1
433.12939	32.2
451.10336	25.1
481.51608	2.7
553.15100	45.9
571.16193	56.0
599.05249	2.9
705.20258	3.4
723.20959	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06666	3.6
55.51886	3.3
57.25260	3.8
58.75512	3.0
59.01382	3.8
64.23182	3.9
81.53690	4.1
83.01392	4.4
86.03618	3.5
96.58257	3.9
97.02998	4.1
109.02934	28.0
116.92822	17.4
118.40121	3.7
123.04494	21.8
124.01687	30.5
125.02444	34.8
127.42600	3.8
137.02451	36.7
149.02411	7.9
150.03218	6.4
151.03979	9.9
161.02473	47.0
161.06076	8.5
164.01152	8.4
165.01910	9.8
175.04024	4.9
177.01891	6.4
179.03528	8.2
187.04063	5.2
188.04831	5.2
201.52658	4.4
203.07129	22.5
203.10762	26.9
205.05087	24.0
227.07079	4.2
229.08752	5.9
245.08148	22.4
259.49182	4.3
271.09750	100.0
281.04532	8.6
289.07184	84.4
306.08740	4.9
321.11087	4.3
401.10468	5.3
419.11243	5.1
433.12668	34.9
451.10355	24.9
553.15045	42.2
571.16357	55.9
598.20166	4.2
723.21161	64.2
723.33386	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	723.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
71.41305	2.7
71.57830	2.4
76.63699	2.4
83.05863	3.1
92.77689	2.7
97.02931	3.3
109.02917	9.8
112.89821	2.7
116.92860	42.7
121.02879	2.9
122.03673	2.5
123.04536	13.8
125.02445	100.0
137.02411	5.8
139.04056	2.9
149.02406	5.9
150.03279	2.7
151.03966	11.8
161.02460	30.7
164.01189	4.6
165.01906	10.9
165.05556	2.6
169.23557	2.5
177.01991	2.5
177.05342	2.3
179.03557	2.8
180.83780	2.4
203.07117	5.1
205.05081	5.7
222.52740	2.7
243.15810	3.4
245.04477	5.7
255.02931	4.8
256.03842	4.9
281.04672	5.7
283.02499	3.3
283.09763	14.0
287.05661	5.8
389.10446	3.4
401.10449	3.6
435.14392	29.5
445.12909	12.5
553.15106	46.9
571.16400	29.5
597.18097	18.3
621.65308	2.8
627.11804	3.4
723.20624	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03283	0.5
53.52245	0.5
55.95442	0.5
56.30938	0.5
58.02977	3.5
60.41852	0.5
70.02982	6.4
72.04549	1.3
74.02473	31.7
78.48332	0.5
90.31756	0.6
98.02473	6.4
105.01659	0.5
116.03531	16.7
116.05048	6.7
125.02441	2.4
126.12147	0.7
130.06638	1.0
159.09312	2.5
183.09300	1.1
201.10341	5.6
203.08276	57.8
204.28065	0.7
208.01942	0.6
217.01389	0.8
245.09306	100.0
289.08429	4.4
289.16364	0.9
300.02789	2.4
316.02179	0.6
435.10922	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	723.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68282	0.5
70.90372	0.5
82.94164	0.5
105.49606	0.6
107.01360	0.6
119.92167	0.6
121.02969	0.8
127.00882	0.5
151.00395	7.7
163.00360	0.7
178.99854	5.9
209.11853	1.2
226.02640	1.0
227.03555	0.7
229.05077	0.7
243.03056	5.0
254.02203	6.6
255.02997	14.5
271.02490	57.5
272.03250	4.1
273.04080	0.7
299.02069	0.7
300.02768	100.0
301.03568	20.6
454.54697	0.7
723.30383	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00639	3.2
71.45055	2.4
73.56158	2.8
84.73292	3.1
146.06909	3.2
161.13783	2.9
186.62672	3.4
190.26785	3.0
305.24863	100.0
723.42944	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	724.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05265	0.6
61.98837	47.6
73.73648	0.8
81.03457	1.7
99.32650	0.7
110.69251	0.6
125.02433	21.2
131.72101	0.7
141.08084	0.7
174.08049	0.7
244.79654	0.8
267.19733	4.9
285.20663	10.5
289.21841	1.4
331.22882	12.3
349.23639	0.9
375.21786	72.4
393.22827	3.4
476.71002	0.8
661.43335	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	725.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89317	2.7
66.63239	2.3
72.24155	2.3
84.63988	2.5
99.00881	6.1
107.40379	2.7
109.02962	6.6
119.32289	2.4
123.04539	9.7
125.02440	66.0
137.02446	22.0
139.04027	4.6
141.01964	6.5
149.02344	3.1
151.04025	5.7
153.01952	12.5
161.02435	22.0
163.00473	3.5
165.01936	60.0
167.03494	12.0
173.04587	5.3
175.04027	3.4
177.01869	6.1
179.03462	4.6
183.03003	100.0
187.03990	3.4
189.01910	3.0
190.19667	3.2
195.03072	5.8
203.03525	3.4
203.07201	5.7
203.36540	2.7
205.01326	5.6
205.05028	4.3
206.01950	2.8
217.05066	3.9
222.01695	5.3
223.02565	5.7
245.08229	16.5
247.06082	3.8
265.30801	2.8
273.06348	18.6
287.05566	3.3
289.07178	20.1
315.05121	4.5
345.06223	22.6
347.07809	5.0
435.09399	43.4
437.10846	10.8
573.12378	5.9
577.13507	3.6
635.14246	10.3
700.45844	3.3
725.17346	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62340	0.9
82.57914	0.9
93.03448	2.2
109.02921	1.1
123.04499	2.4
124.01642	6.8
124.74177	1.1
125.02461	8.5
126.22404	1.2
133.02965	1.9
137.02434	6.0
139.04031	9.1
151.04010	2.1
151.32500	1.0
152.01167	6.7
155.07100	1.3
163.00330	3.9
164.01137	12.7
165.01920	6.9
165.05547	2.5
167.03500	100.0
178.02765	2.1
179.03543	10.1
203.07045	1.2
205.05128	1.4
209.04559	5.5
221.04373	1.4
245.08023	1.3
257.04565	1.8
267.06726	2.5
269.04556	1.2
271.06104	9.6
273.07751	11.1
273.17096	6.6
281.04471	1.8
285.04184	1.2
285.07718	6.0
287.09171	1.5
289.07184	1.9
309.04071	1.1
315.08752	16.0
331.08377	11.3
345.09891	1.4
402.02545	1.1
403.08246	2.2
435.12302	5.3
453.11972	11.5
472.84430	1.2
509.10025	1.1
557.14746	10.4
592.26904	1.3
675.15674	1.3
725.19690	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	725.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62340	0.9
82.57914	0.9
93.03448	2.2
109.02921	1.1
123.04499	2.4
124.01642	6.8
124.74177	1.1
125.02461	8.5
126.22404	1.2
133.02965	1.9
137.02434	6.0
139.04031	9.1
151.04010	2.1
151.32500	1.0
152.01167	6.7
155.07100	1.3
163.00330	3.9
164.01137	12.7
165.01920	6.9
165.05547	2.5
167.03500	100.0
178.02765	2.1
179.03543	10.1
203.07045	1.2
205.05128	1.4
209.04559	5.5
221.04373	1.4
245.08023	1.3
257.04565	1.8
267.06726	2.5
269.04556	1.2
271.06104	9.6
273.07751	11.1
273.17096	6.6
281.04471	1.8
285.04184	1.2
285.07718	6.0
287.09171	1.5
289.07184	1.9
309.04071	1.1
315.08752	16.0
331.08377	11.3
345.09891	1.4
402.02545	1.1
403.08246	2.2
435.12302	5.3
453.11972	11.5
472.84430	1.2
509.10025	1.1
557.14746	10.4
592.26904	1.3
675.15674	1.3
725.19690	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	725.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18174	0.9
93.03459	2.5
109.02966	1.4
112.06186	1.2
121.02956	2.4
121.23430	1.0
123.04487	1.8
124.01635	7.7
125.02469	4.8
130.73972	1.1
133.02904	5.8
133.22818	1.3
137.02437	32.3
139.04008	13.3
149.02449	1.5
152.01205	8.6
163.00423	8.1
164.01149	95.7
165.01935	30.4
167.03487	67.9
167.04918	2.0
176.01147	5.5
177.01949	2.8
179.03549	2.2
187.03900	4.1
189.05582	2.5
191.03424	9.3
202.99915	4.6
203.07101	6.4
227.07208	1.8
228.04129	1.5
229.04958	2.5
253.04988	2.6
255.02916	1.8
257.04626	1.7
270.05334	2.5
271.06125	33.3
285.07642	2.7
287.05334	1.5
299.05542	5.1
314.04376	1.3
375.08765	1.9
417.09805	4.9
421.09332	11.3
439.10370	7.6
450.09586	4.7
539.13684	4.4
557.14557	100.0
582.23431	1.5
725.17072	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	725.231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03189	0.5
71.01383	12.0
95.18346	0.6
100.93866	0.7
115.00307	4.8
116.19341	0.6
117.03467	1.2
129.23193	0.6
134.03743	26.9
149.06053	10.1
178.02794	5.6
193.05063	100.0
309.06226	13.4
404.90485	0.7
435.63205	0.7
526.22046	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	725.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39950	1.1
55.38858	1.0
59.01387	100.0
84.61329	1.1
135.26215	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	725.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.6
63.89913	0.5
64.56258	0.5
71.01397	2.0
71.05009	0.9
85.06595	0.5
89.02444	2.1
101.02438	2.8
109.06602	0.8
113.02438	1.0
143.03406	0.7
149.09767	0.6
161.04565	2.3
167.10754	5.0
179.10764	1.1
179.14409	5.5
195.13910	16.9
203.84096	0.6
205.12344	15.4
207.81229	0.5
208.31393	0.5
223.13393	100.0
235.08205	1.1
240.04161	0.5
253.09332	4.9
285.43582	0.5
316.76346	0.5
352.31467	0.6
379.10809	0.6
411.25327	0.8
429.26529	0.7
441.21243	3.1
459.22406	14.6
621.33014	2.1
647.34424	10.9
658.18237	0.6
665.35510	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	725.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71295	0.5
51.76260	0.5
59.01376	8.3
69.03470	0.8
71.01384	0.5
71.05035	0.7
84.45781	0.6
85.06602	0.8
89.02447	2.5
99.31718	0.5
101.02428	1.5
109.70164	0.5
124.60686	0.6
137.16521	0.7
149.09622	0.6
161.04526	1.0
167.10750	4.2
177.12924	0.7
179.10751	1.4
179.14430	4.4
184.77896	0.6
189.11813	0.6
195.13924	18.5
205.12357	14.3
223.13402	100.0
235.08163	1.2
253.09340	4.6
334.64374	0.6
359.79251	0.7
411.25278	0.9
429.26440	1.0
441.21368	2.7
459.22363	13.5
595.30951	1.0
621.32550	1.3
624.21643	0.7
647.34387	11.9
665.35510	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	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43562	1.3
59.01375	3.3
78.95895	2.5
82.96687	1.5
89.02451	3.2
97.06588	2.3
101.02415	2.7
104.68382	1.4
151.11302	19.7
152.99619	1.9
161.04495	1.7
169.12338	100.0
183.16287	1.8
195.13916	3.3
213.11272	9.0
255.23256	5.8
293.21167	11.2
725.41272	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58931	1.1
57.84932	1.1
58.69765	1.0
72.73225	1.2
81.03434	1.4
125.02448	32.7
206.24486	1.1
229.84776	1.2
289.21753	1.7
313.24008	12.8
331.22821	12.6
349.23755	1.5
375.21799	80.0
393.22888	9.2
538.69543	1.2
585.59906	1.2
689.46442	100.0
725.39185	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	726.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76498	0.4
53.72726	0.5
59.01386	100.0
75.60980	0.5
96.75229	0.5
134.45935	0.6
138.52638	0.6
188.03209	0.6
192.10345	4.0
229.26674	0.7
230.61397	0.7
235.11224	0.9
315.44370	0.6
318.89120	0.6
370.20135	0.5
416.96976	0.6
428.22174	2.8
488.24454	4.3
500.31842	0.7
548.26294	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	726.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51504	0.6
56.45616	0.5
58.40098	0.6
61.98835	47.0
70.49091	0.6
73.41957	0.5
81.03452	1.1
92.19466	1.2
96.50330	0.6
114.53484	0.6
125.02441	16.8
144.26083	0.6
182.26631	0.6
219.47722	0.7
267.19592	3.5
269.21106	1.0
273.44705	0.7
285.20636	4.7
287.22244	3.4
289.21902	0.6
291.23431	0.7
315.23392	0.7
331.22897	5.5
333.24414	6.8
333.28314	0.8
375.21802	29.1
377.23364	46.4
395.24271	2.3
481.13470	0.6
600.03473	0.6
661.43304	2.7
663.44861	100.0
685.77240	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	727.1682
Annotation	Isoginkgetin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.34156	0.5
66.71128	0.5
117.03475	1.3
151.00319	2.3
311.98492	0.6
374.04340	2.5
388.05896	6.2
389.06714	8.1
403.08298	6.9
412.05939	1.1
415.04703	6.8
445.09247	4.0
471.06888	1.0
517.05640	1.2
518.06207	4.2
533.08813	100.0
547.10205	0.7
565.11401	15.9
689.28876	1.0
714.92786	0.7
727.16754	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50960	1.6
53.73986	1.5
58.15886	1.5
58.53231	1.8
59.01381	2.7
60.67538	1.6
89.65865	1.6
96.96035	3.3
117.03515	2.3
125.02480	2.4
151.00327	2.4
160.07451	2.1
177.01828	1.9
192.45798	2.0
374.04138	2.8
388.06067	2.3
389.06793	4.2
415.04663	3.2
503.27167	2.1
509.62036	2.1
533.00671	3.3
533.08801	100.0
565.11865	13.0
624.27563	2.2
628.57715	2.2
727.16687	77.5
748.62396	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	727.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84943	4.0
59.01389	86.0
60.25985	3.9
71.01379	45.5
89.02419	37.5
101.02441	18.6
103.23228	4.8
113.02448	9.6
119.03477	9.5
176.13773	4.6
179.05695	7.0
212.42743	4.7
255.23218	5.0
384.67050	5.4
389.06653	32.9
401.33035	4.5
415.04373	6.8
531.07977	6.0
532.08014	7.0
547.10388	100.0
727.15009	6.7
729.04968	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	727.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80734	2.3
59.01384	32.3
69.03450	4.4
71.01376	15.4
73.02953	20.2
81.03454	3.2
83.01454	3.5
83.05026	3.2
83.61963	2.6
84.46870	2.4
85.02949	62.6
86.83160	2.3
87.00877	100.0
89.69753	2.8
93.03448	4.6
93.93705	2.5
95.01386	22.5
97.02940	29.9
99.04546	4.0
100.32263	2.6
103.04004	6.2
109.02940	11.5
111.00842	10.9
111.70243	2.9
113.02435	33.5
115.00386	11.1
115.03988	2.9
125.02411	5.1
127.03986	30.7
137.02405	3.6
139.00375	14.4
145.05064	4.9
157.01439	12.1
175.02441	17.6
199.02455	16.8
217.03561	11.6
303.07285	4.5
321.08078	5.0
345.08325	4.5
387.09369	20.8
405.10342	14.0
439.33691	2.7
623.14709	9.9
709.18243	42.6
727.19592	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51421	0.8
55.01863	0.8
57.03470	1.2
58.74579	0.8
59.01107	1.2
59.01384	29.3
63.54864	0.8
69.03466	7.8
71.01389	11.6
72.99270	0.9
73.02941	19.5
74.51008	0.9
81.03471	3.4
83.01388	4.4
83.05025	4.7
84.18390	1.0
85.02946	52.3
87.00872	100.0
89.02469	1.0
93.03451	4.5
95.01394	20.9
97.02954	30.5
99.04504	4.5
101.02409	1.6
103.04007	9.9
109.02946	10.0
109.23376	0.9
111.00873	4.9
111.04519	1.0
113.02452	24.8
115.00362	10.7
115.04003	3.7
118.15279	0.9
123.04518	1.2
125.02455	1.6
127.03996	17.2
129.01892	2.3
137.02388	4.1
139.00380	12.7
145.05034	2.3
148.56252	0.9
153.01883	1.8
155.03485	1.9
157.01382	10.8
159.39041	0.9
167.03535	1.0
169.05069	1.2
169.31003	1.1
171.02896	1.0
173.04562	1.6
175.02475	23.6
199.02486	10.4
207.55377	0.9
217.03551	11.0
298.43884	0.9
303.07263	8.6
303.98969	1.0
321.08173	6.4
345.08221	4.6
345.54056	1.0
387.09256	11.1
405.10474	9.7
439.20078	1.0
594.87549	1.0
623.15100	4.4
685.18884	1.6
709.18182	15.7
727.19513	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.3
59.91581	1.7
64.18211	1.5
67.38174	1.6
68.92011	1.7
74.38187	1.7
87.57351	1.7
121.02951	61.1
122.03719	1.8
144.19661	1.7
161.05975	1.8
244.07417	4.0
517.14600	2.8
531.16699	6.4
551.75470	1.8
649.87048	1.8
727.24023	100.0
747.27405	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	727.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64479	5.5
78.95886	5.8
90.64635	5.7
104.81965	6.0
111.00264	5.9
134.73618	5.6
146.96486	6.0
152.99548	12.9
171.10269	22.5
206.27641	6.5
223.13390	6.9
239.83252	7.1
255.23254	55.4
334.36923	6.3
637.37250	8.7
727.37750	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	727.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67122	1.5
57.06256	1.8
59.01370	7.8
71.82961	1.7
75.87098	1.6
78.95892	8.1
92.19489	2.2
94.84287	1.9
102.90890	1.8
105.62514	1.8
113.02426	2.2
147.04558	2.3
152.99590	8.6
169.12338	100.0
171.10294	19.4
235.08313	3.8
249.18597	53.2
253.09247	3.2
255.23267	17.8
359.93018	2.1
405.21326	8.2
637.39868	4.2
681.38812	16.5
683.39960	3.3
699.40082	13.1
727.38416	56.3
743.10760	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	728.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64558	1.2
58.56260	1.3
61.98838	100.0
75.00723	1.6
86.16869	1.4
92.72762	1.5
94.01929	1.5
121.02947	9.8
125.02428	6.9
137.02380	1.9
146.12030	1.5
168.57031	1.8
192.10350	5.6
201.51634	1.5
332.20731	1.7
340.34900	1.5
471.79941	1.6
713.71088	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	728.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.23630	1.0
72.04546	1.2
72.99349	1.2
93.07209	1.0
96.96045	1.4
99.11221	1.1
109.00678	1.0
117.03460	5.5
124.82652	1.2
133.05287	1.4
141.47556	1.1
146.89107	1.1
148.07681	30.4
149.06021	1.3
170.11652	1.2
172.07678	5.3
175.06381	1.3
176.07162	17.1
190.08745	71.2
192.10153	1.5
218.08235	25.4
220.09830	1.6
236.09303	12.0
260.09213	1.5
329.17542	2.4
389.19684	1.4
390.43265	1.2
553.24512	14.2
595.25354	5.8
728.33038	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	728.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98832	100.0
70.27575	0.4
70.48522	0.4
92.19334	0.8
98.69704	0.4
195.13895	0.7
206.12749	0.4
223.13365	3.8
224.13731	4.2
225.13939	2.7
229.66284	0.4
236.23743	0.4
340.36853	0.4
594.84583	0.5
650.36011	0.9
668.36475	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	728.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.96696	1.1
73.05365	1.2
78.33511	1.3
85.71173	1.1
115.26999	1.2
121.02956	1.3
123.04540	1.5
125.02447	10.6
139.85916	1.3
143.89891	1.3
151.03951	1.8
161.02411	1.8
185.11827	2.1
243.03035	1.7
289.07092	4.9
309.58484	1.2
311.23868	1.3
318.97913	1.4
334.05206	1.3
374.97531	1.1
502.44354	1.4
592.42090	1.4
711.95856	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	729.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29633	0.7
58.03738	0.8
60.43673	0.7
71.01385	9.0
86.87321	0.8
105.20753	0.8
115.00369	4.5
119.05022	28.7
125.02441	20.9
133.01492	0.9
137.02322	0.7
149.02423	1.5
151.00385	4.2
153.01939	1.6
163.04013	100.0
178.99864	7.6
179.03525	1.4
181.08788	1.3
189.18971	0.9
243.06564	4.3
259.03363	1.5
259.06110	40.9
269.04565	26.9
279.05093	13.1
287.05585	10.7
290.91870	0.8
449.10916	58.8
450.08499	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	729.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02622	0.8
53.62093	0.8
54.92936	1.0
80.97620	1.2
83.01362	2.2
85.44793	0.9
118.91999	1.0
121.02954	2.4
122.03725	5.1
123.04509	6.4
130.54688	1.0
137.02417	1.2
137.06075	1.4
159.04524	1.2
160.05284	1.9
169.31876	1.1
192.04263	5.4
204.04286	5.4
205.05095	1.5
207.06560	5.6
219.06584	2.2
221.15556	1.2
237.14954	12.2
256.07230	1.5
257.08298	1.6
258.08917	6.6
265.14392	5.0
270.08881	1.4
271.09708	5.6
272.10498	2.5
283.09778	1.4
284.10587	5.1
296.10693	1.2
298.12051	1.2
316.09589	1.5
327.09351	1.1
476.14603	2.4
477.15454	4.9
479.17621	1.3
489.15366	1.6
491.17203	14.6
504.17923	1.8
527.40198	1.2
711.24573	5.6
729.25665	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	729.2562
Annotation	Erythro-carolignan E
Peak:m/z	Relative Intensity
53.33726	0.9
55.72297	1.0
56.43793	1.1
63.03712	1.2
75.35498	1.2
83.01373	5.0
108.02135	1.3
109.02845	1.1
118.67003	1.3
121.02924	1.2
122.03703	1.4
123.04496	2.1
131.00165	1.3
144.97925	1.3
148.05208	1.1
159.04425	1.8
160.05280	5.5
161.06050	1.6
201.15857	1.4
204.04276	55.1
205.05086	1.7
219.06631	44.9
244.07436	2.0
296.10666	2.3
302.62830	1.4
457.16217	1.4
476.15015	1.3
479.17142	1.3
491.17740	1.7
493.15045	2.3
501.15744	2.9
516.17896	2.6
550.18970	1.3
637.21710	1.9
711.24835	18.1
729.25647	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	729.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69162	0.2
51.91190	0.2
55.10313	0.3
57.03443	0.3
59.01384	0.5
64.21031	0.3
85.04945	0.3
89.02435	0.4
92.40423	0.3
109.02924	0.5
119.04977	0.4
122.03745	0.6
123.04489	0.4
125.02467	3.5
126.02721	0.6
135.70377	0.3
137.02458	0.6
151.04008	0.5
161.02470	0.8
162.02893	0.4
163.04019	1.6
165.01891	0.5
177.01921	1.5
178.02246	0.3
179.07091	0.4
180.04298	0.5
181.08713	100.0
189.05849	0.4
214.03049	0.4
226.06364	1.1
238.06445	2.3
241.08795	2.3
243.03093	0.4
253.08736	0.8
289.07065	0.4
325.07367	0.6
343.08560	2.1
343.13989	26.6
433.38486	0.4
500.99396	0.4
702.61139	0.5
732.24481	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	729.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27509	0.6
54.50692	0.8
57.41744	0.7
57.71184	0.7
59.01374	3.7
64.91530	0.6
75.00945	0.8
79.27207	0.7
79.74454	0.7
89.02401	1.0
92.19411	0.8
101.02452	1.2
113.02428	1.1
137.09718	5.7
137.10660	0.9
155.10779	100.0
199.09767	53.1
200.50311	0.9
391.74414	1.0
625.32849	1.6
642.74518	0.9
685.34650	0.9
733.76282	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	731.2719
Annotation	shizukaol F
Peak:m/z	Relative Intensity
61.98829	6.3
71.01336	5.2
83.01380	38.6
88.98772	6.8
101.02446	11.8
109.02920	5.5
109.72659	5.4
121.02924	33.5
122.03736	10.7
123.04514	19.1
127.96110	6.6
130.81563	5.4
133.02948	7.4
139.04018	9.4
147.04471	5.6
149.02441	7.1
150.03218	74.2
151.04033	11.9
156.63930	6.3
164.01122	9.7
164.04776	9.0
165.05569	86.8
268.07498	6.7
282.08908	12.5
283.05768	6.0
295.09778	6.0
298.08566	6.8
357.13489	11.9
489.15918	7.9
505.18372	12.3
517.18475	45.7
653.23608	7.2
665.24005	21.4
683.25500	20.4
695.25739	8.9
701.26019	64.3
713.26666	38.9
731.27203	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	731.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27004	2.5
59.01385	100.0
61.98836	5.6
62.53815	3.1
65.25633	2.5
68.70654	2.9
91.37746	2.7
95.73598	2.7
121.02962	55.7
125.02376	4.7
142.51337	3.5
146.49100	2.7
167.29152	2.9
185.11877	4.7
194.91548	2.9
211.13408	16.4
223.13396	3.4
441.05527	3.0
627.34515	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	731.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56022	2.7
59.01384	100.0
65.95826	2.8
69.63997	3.0
70.93713	3.1
74.77331	2.8
100.14621	3.3
106.93851	3.3
121.02955	21.7
129.02878	3.1
212.61522	3.1
336.85898	3.3
662.36310	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	731.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
79.20588	1.5
102.67451	1.3
121.02905	14.1
401.02689	1.4
460.02344	1.4
587.24731	2.3
731.26361	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	731.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28728	3.0
55.46032	3.5
56.58785	3.8
57.64159	3.5
59.01386	50.2
91.50280	3.3
103.50066	3.4
112.87865	3.5
121.02955	100.0
142.19040	3.6
303.38217	3.7
309.58679	4.2
353.31491	3.4
651.50476	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	731.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69720	0.6
59.01385	100.0
61.98821	1.8
69.04251	0.7
69.91241	0.6
121.02964	17.1
125.02472	0.8
127.44486	0.8
185.11774	3.9
195.86789	0.7
211.13391	5.1
223.13344	5.8
253.09119	0.9
513.91656	1.0
520.57959	0.9
627.34021	1.1
635.35864	0.9
653.35742	1.3
735.69080	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	731.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38855	1.3
59.01383	3.7
59.52239	1.3
78.85510	1.4
118.41850	1.7
121.02068	3.5
121.02944	100.0
124.30631	1.5
155.96460	1.6
185.76204	1.6
197.49443	2.0
270.82169	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	731.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75225	1.5
55.01897	1.6
59.01385	100.0
78.50438	1.7
121.02951	15.1
201.40541	1.7
211.13492	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	731.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35145	1.9
53.05574	2.0
57.06499	2.1
57.48056	2.3
59.01107	4.2
59.01387	100.0
76.49729	2.6
78.74892	2.4
79.84784	2.3
85.73875	2.7
116.92799	4.1
121.02964	38.4
134.54535	2.8
138.41347	2.4
191.57120	2.7
193.79765	2.5
245.95990	2.7
468.85983	2.8
722.40350	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	731.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69964	1.4
59.01384	100.0
62.59444	1.4
65.99373	1.6
68.29313	1.5
71.01385	23.6
72.99303	2.0
73.02962	2.2
79.31332	1.5
85.02943	6.6
87.00858	2.1
88.98811	7.3
89.02442	25.6
95.01368	1.9
97.95306	1.9
101.02433	14.9
112.12421	1.5
113.02420	14.7
119.03481	11.1
121.06460	1.8
123.08151	4.2
125.02411	3.4
136.07480	1.5
137.06070	8.8
144.47914	1.6
149.06052	3.0
161.04527	8.2
166.44391	1.6
179.05588	3.6
179.10773	3.6
189.12851	4.1
200.23734	1.8
233.11894	3.3
299.16531	4.1
317.17502	1.9
329.17355	2.6
376.08029	1.9
509.23798	2.7
551.25220	8.2
569.26147	16.4
611.27246	10.9
629.28192	15.7
635.00714	2.2
671.29578	9.6
731.25751	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	733.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
59.01101	2.8
59.01381	45.6
64.33410	1.5
65.83848	1.5
71.01380	3.0
74.96966	1.7
83.45833	1.4
84.49001	1.4
85.89430	1.7
88.03627	1.6
89.02460	6.7
93.88731	1.5
101.02454	3.0
113.02415	2.5
119.03491	1.9
121.06608	3.3
135.11761	2.4
137.09705	2.4
139.55811	1.6
158.70001	1.6
160.65540	1.6
161.09711	7.5
163.07635	29.3
167.03496	58.4
179.10776	3.8
191.03511	12.4
197.10123	3.0
197.11848	59.4
209.04597	3.9
223.09801	2.9
241.10793	41.2
329.08716	7.9
403.16138	100.0
582.80341	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	733.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26352	0.8
53.04553	0.6
54.09930	0.6
59.01382	34.0
71.01380	1.4
75.35593	0.7
88.98802	1.6
89.02441	0.9
96.89673	0.7
101.02454	0.8
110.35682	0.9
119.03518	1.1
121.02948	100.0
128.62209	0.8
137.02385	0.9
138.22067	0.8
153.05623	0.9
178.45192	0.8
222.17912	1.0
340.74188	0.9
631.23969	24.9
673.24414	1.1
733.26563	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	733.2872
Annotation	Trigohownin E
Peak:m/z	Relative Intensity
54.86675	2.0
69.78674	1.9
83.01395	1.9
116.92834	3.6
121.02929	4.1
123.04488	8.1
125.02400	2.1
137.02551	2.4
137.06079	2.6
139.03935	2.6
150.03178	2.3
151.03995	2.7
152.25681	1.8
160.61505	1.9
165.05562	7.2
167.95503	1.7
179.07095	2.1
191.07072	2.1
192.04301	3.0
204.04126	1.9
207.06558	7.3
225.05450	1.8
240.07835	2.3
245.08130	2.0
257.08142	2.2
258.08963	4.0
271.09711	3.5
301.10727	2.8
313.10880	2.9
315.12183	3.4
329.13727	2.9
413.44214	2.2
483.20120	2.2
489.15454	2.7
495.20093	10.2
521.07019	1.8
685.26251	3.1
715.28442	5.7
733.28711	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	733.2877
Annotation	Siphonol D
Peak:m/z	Relative Intensity
72.59274	2.0
111.12080	2.2
123.04530	3.4
125.02430	4.0
150.03177	3.0
151.03995	3.5
160.05293	4.3
164.01073	4.0
164.73434	2.6
164.77200	2.5
165.05518	4.7
178.44481	2.3
179.48174	2.2
204.04283	66.0
219.06654	46.2
257.08316	2.8
340.94214	2.4
475.17612	3.3
537.26062	3.4
715.28333	17.5
733.28827	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	733.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14133	0.2
51.82557	0.2
54.19638	0.2
61.68364	0.2
64.81876	0.2
66.76512	0.2
73.05865	0.2
73.45398	0.2
77.13294	0.2
92.19434	0.3
107.01468	0.3
159.04553	0.3
225.05638	0.4
238.13615	0.3
269.04547	100.0
414.60297	0.3
737.11023	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	733.4544
Annotation	decarboxy-dehydroxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
54.20409	0.3
59.01381	0.3
66.57764	0.3
75.27747	0.3
84.96498	0.3
93.03452	1.9
105.03451	0.6
121.02943	2.3
121.72908	0.3
123.04520	0.6
125.02456	0.3
133.02945	5.0
149.02435	5.9
151.04001	0.7
155.82513	0.4
177.01933	100.0
179.03593	0.5
187.04288	0.4
195.02953	1.4
259.17941	0.3
266.51611	0.3
269.21259	4.8
285.20691	12.8
287.22354	2.9
287.25052	0.3
316.89865	0.3
361.23938	0.4
398.15576	0.3
429.22595	2.2
447.23972	1.8
518.79865	0.4
663.83966	0.4
733.45441	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	733.491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01379	11.0
65.81773	1.3
69.84383	1.6
71.01375	9.8
73.02945	10.1
75.00878	1.9
75.40558	1.4
82.80714	1.4
89.02438	1.7
101.02444	5.2
101.65219	1.4
113.02448	2.9
113.09689	15.6
130.33260	1.5
139.07669	1.9
161.04506	2.9
167.10794	2.7
179.10741	2.2
195.13841	2.3
249.22142	2.6
273.22208	3.2
277.21732	87.1
287.68436	1.7
289.15112	1.6
291.23337	28.3
293.21228	100.0
301.21640	3.2
319.22787	30.0
349.23993	5.9
463.51334	1.6
518.04913	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	735.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25406	38.0
60.13586	34.0
74.16029	36.0
74.58865	40.7
74.87936	38.6
79.67021	37.2
80.97869	38.3
83.99538	43.7
85.55314	39.6
85.78619	36.1
121.02954	55.9
165.05563	100.0
218.44852	44.5
364.47333	44.5
400.03009	40.6
488.16751	44.5
735.29431	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59094	0.9
59.01388	42.2
71.01389	3.0
81.52455	1.3
86.64920	1.1
89.02432	6.8
91.33660	1.4
108.19217	1.2
115.19590	1.3
118.75467	1.3
121.02952	100.0
121.84048	1.2
122.05080	1.2
161.02437	1.4
186.47156	1.3
343.15375	1.5
405.91370	1.4
475.20151	2.0
493.20837	6.0
511.22049	2.3
553.22980	6.4
633.25757	5.1
640.06549	1.3
675.26611	24.1
735.29431	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	735.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.40593	0.8
104.78831	0.8
121.02955	100.0
135.95055	1.0
149.86958	0.8
321.82315	1.1
370.75647	1.0
483.19946	1.6
511.21765	3.7
553.23267	1.5
582.39862	1.0
615.24493	12.5
615.33527	1.3
633.25824	9.4
735.14172	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	735.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74370	1.4
53.55332	1.6
59.01373	2.5
60.69281	1.5
61.98847	2.0
68.76476	1.5
76.94068	1.7
92.13911	1.8
107.36379	1.7
121.02962	11.4
122.03748	4.3
123.04514	2.6
133.02937	3.4
134.03732	7.0
146.03760	3.6
147.04445	2.2
149.02449	3.8
149.06076	10.9
150.03224	69.4
161.06105	3.1
164.04839	6.5
165.05569	100.0
179.07184	2.9
180.04340	7.9
183.34273	1.7
195.06659	16.8
248.85844	1.7
269.08221	3.2
270.08829	2.2
282.08899	7.0
295.09741	9.6
298.08316	2.8
313.10880	8.2
323.60843	1.9
327.12231	7.6
339.12112	2.1
416.08057	1.8
445.16342	2.2
449.16159	8.5
463.18307	2.8
479.16736	2.3
491.16974	2.7
493.18219	3.3
494.19427	7.4
505.18762	3.0
506.18979	3.1
509.21912	13.2
521.21948	23.4
657.27167	7.5
669.27045	19.2
681.26318	2.6
687.28027	8.9
699.28186	4.3
705.29462	44.8
717.29004	24.7
735.30292	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	735.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91855	2.5
55.07601	2.4
59.01387	5.4
61.98837	3.3
67.93428	2.5
72.95798	3.0
73.51105	2.6
76.41527	2.4
87.76385	2.9
101.66124	2.6
103.96585	3.3
121.02978	22.6
122.03739	5.8
134.03696	4.2
149.02414	4.9
149.06003	4.3
150.03201	72.9
151.04051	4.7
165.05565	100.0
167.07126	3.9
179.07065	4.5
180.04291	13.0
192.46082	2.7
195.06633	19.0
243.23824	2.8
253.05009	2.7
269.08078	5.1
282.09085	4.7
295.09607	4.6
298.08420	3.1
313.10690	6.5
327.12360	3.7
339.12579	4.0
449.15805	3.8
479.16919	3.3
494.19400	14.2
509.21899	20.5
521.21674	16.4
575.22754	3.5
648.75824	3.3
657.26544	5.5
664.33643	3.3
669.27209	21.0
687.28217	12.4
699.28076	11.3
705.29370	50.0
717.29126	24.7
735.30804	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.4
60.78444	0.5
71.01379	3.1
73.08260	0.5
85.53825	0.5
89.02460	4.4
98.98979	0.6
101.02425	2.4
113.02444	1.1
117.64886	0.5
119.03521	0.9
121.02956	100.0
126.32597	0.5
145.18045	0.5
153.01950	1.1
165.05598	0.6
179.05524	0.9
205.05031	0.7
553.26532	14.2
628.52661	0.6
675.30511	8.1
735.33966	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	735.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41274	1.4
59.01382	39.4
60.74721	1.3
62.11937	1.4
66.09657	1.3
67.52213	1.3
71.01388	26.5
73.02985	1.7
83.01373	1.7
85.02943	3.4
87.00868	6.0
89.02445	31.4
97.02942	3.4
99.00890	2.7
101.02444	29.0
113.02430	13.0
119.03492	8.4
125.02422	7.7
125.73692	1.8
131.52026	1.6
143.03511	2.6
161.04500	3.2
179.05626	1.6
235.08195	3.7
277.21753	86.8
287.07657	1.9
300.53879	2.0
301.98566	1.6
397.13553	100.0
415.14584	27.1
503.14801	1.8
675.36395	23.4
760.37122	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	735.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47651	0.8
59.01385	1.6
63.60558	0.9
89.02469	1.1
91.84646	0.8
93.03460	2.0
101.02399	0.9
104.32734	0.9
107.46483	0.8
117.46664	0.9
123.04505	1.1
125.50654	1.0
133.02953	4.3
135.59264	0.8
143.39418	0.8
149.02466	5.6
151.03972	1.2
167.10786	1.1
170.21622	0.8
177.01933	100.0
179.14464	1.2
195.13916	7.8
196.14594	0.9
205.12361	4.5
223.13396	36.1
247.92079	1.0
253.09264	4.7
269.21268	4.4
275.20294	3.5
287.22339	15.2
293.21252	22.8
429.22794	1.8
447.24112	1.3
459.22583	5.9
487.18393	1.1
529.30249	1.3
545.44543	0.9
735.46881	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
65.79541	1.2
67.90430	1.8
68.45510	1.6
71.05007	1.3
79.96845	1.4
89.02424	3.2
89.48895	1.5
90.30199	1.6
91.04053	1.6
92.20242	2.0
101.02429	3.2
125.02244	1.7
127.11184	1.5
167.10799	6.2
177.01944	36.7
179.14377	7.4
195.13893	28.1
205.12332	10.5
206.81265	1.6
223.13403	100.0
238.40331	1.7
253.09268	10.9
275.20145	10.8
287.22122	2.0
293.21240	83.4
459.22372	20.9
529.30280	3.3
726.61768	1.9
735.44366	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	736.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
60.91782	0.8
64.29085	0.7
73.12078	0.9
81.03471	1.5
82.56921	0.9
83.01411	1.3
93.63481	0.8
94.47307	0.9
95.05013	1.8
96.57760	0.8
97.02940	2.0
100.57716	0.8
109.02947	24.4
112.99718	0.8
121.02947	1.9
123.04527	10.9
124.83253	0.8
125.02442	32.0
135.04454	1.0
137.02437	10.1
138.01987	6.6
139.03987	3.7
149.02406	4.9
151.04018	12.8
159.04509	1.2
161.02444	4.7
161.06117	6.0
164.01180	3.9
165.01932	5.7
167.03471	5.2
174.76555	0.9
175.03967	3.7
177.01913	5.4
179.03502	8.9
187.04024	4.9
188.04774	7.7
199.40082	0.8
199.90689	0.9
202.06355	3.5
203.07167	19.1
205.05084	12.6
212.04950	0.8
221.08136	4.5
226.23561	1.0
227.07130	4.3
243.02983	4.1
245.08171	21.2
261.03979	1.0
289.07181	100.0
362.03183	0.9
540.64587	0.9
578.04852	1.0
719.35382	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	736.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82533	1.3
60.35569	1.5
61.98833	26.7
77.43093	1.8
78.95901	1.7
102.27782	1.5
117.83036	1.5
125.02390	2.3
133.75525	1.6
258.12497	1.8
286.15851	1.6
301.18103	100.0
328.80249	1.6
329.06021	1.5
345.17014	18.4
403.69891	1.5
548.25360	1.9
591.07214	1.9
762.21478	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	736.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42748	0.3
60.14174	0.4
67.15730	0.5
82.99338	0.5
100.83598	0.4
106.36763	0.5
155.33630	0.4
258.12640	2.2
286.15729	0.9
298.95880	0.4
301.18115	100.0
327.16055	1.0
328.16742	0.6
329.17621	2.5
345.17114	12.7
346.80743	0.5
410.36108	0.4
513.80524	0.5
575.87219	0.4
619.97168	0.6
655.32947	0.7
673.33960	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	736.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02511	4.9
61.98830	42.7
64.44751	7.0
107.92301	6.2
120.92619	5.5
138.32545	6.1
143.83600	5.6
221.37201	6.9
256.86420	5.3
271.53162	6.4
301.18149	6.4
325.92468	5.7
329.17529	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	737.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58753	1.8
58.82482	1.9
62.71473	2.0
79.82835	1.8
83.01330	2.0
84.65227	1.9
89.46335	1.8
107.01412	1.9
125.02437	16.3
137.02431	3.8
151.00377	30.6
178.99846	50.0
193.01416	10.2
205.01318	3.9
211.04068	2.8
215.03389	2.8
219.02966	3.2
229.01225	2.5
229.05049	3.1
239.03462	2.4
243.02936	7.8
255.02901	7.6
256.03781	9.7
257.04529	3.9
267.02878	2.4
269.04544	2.4
281.04440	2.8
283.02527	3.4
309.04276	2.3
309.07843	2.3
335.05490	4.0
337.03333	2.4
345.04181	2.4
349.03616	2.8
350.04340	13.7
351.05020	4.6
363.05261	17.6
367.04404	3.2
373.03729	3.7
377.06613	2.5
379.04684	4.3
380.05441	9.4
381.06079	9.2
390.03790	8.5
391.04596	26.8
401.02963	10.7
403.04892	4.6
408.04507	3.2
418.03177	8.0
418.98764	3.2
419.04086	66.3
557.07434	3.3
575.08551	35.9
581.08545	2.8
599.10406	8.1
719.13232	2.5
737.13654	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	737.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75225	0.9
53.95798	1.0
59.01371	2.5
61.13078	1.0
67.28111	1.1
71.01369	1.2
71.65791	1.1
73.90166	1.0
84.84782	1.2
109.02941	1.7
113.76308	1.1
125.02445	11.1
133.67447	1.3
135.04529	1.3
137.02428	7.8
151.00381	23.8
151.03981	2.1
152.01118	1.3
165.01918	2.9
167.03487	5.7
177.01903	2.2
178.99860	46.0
179.03535	2.3
193.01466	10.4
203.03433	1.9
203.07066	1.7
205.01384	5.6
207.02933	2.5
211.04024	1.3
215.03548	1.9
219.02942	5.2
227.03404	2.2
228.04153	1.8
229.04984	6.7
239.03439	1.7
241.04942	1.9
242.02153	1.4
243.02963	5.6
245.08098	4.9
247.02361	2.1
251.03510	1.8
254.05629	1.6
255.02892	4.8
255.06839	1.8
256.03708	8.1
257.04568	2.8
265.05060	1.5
267.06754	1.5
281.04532	2.5
283.02319	2.0
289.07077	5.3
307.05954	1.8
337.03607	1.7
347.05591	2.8
350.04254	13.5
351.04977	7.4
361.03473	2.2
363.05087	16.8
367.04514	5.3
373.03470	2.5
379.04538	6.3
380.05338	6.5
381.06137	8.1
390.03723	7.4
391.04544	16.9
401.02902	9.8
407.03723	2.2
408.05164	1.7
409.05762	4.8
418.03168	6.8
419.04080	61.7
437.04422	1.7
447.30328	1.3
513.09991	1.7
557.07159	5.0
569.09998	2.7
575.08459	37.1
581.09637	1.9
599.10406	11.2
719.12585	2.0
737.13617	100.0
737.30090	15.0
758.51593	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	737.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.86047	0.4
70.02964	0.7
74.02458	5.3
75.91726	0.4
85.02896	0.4
98.02468	1.8
100.10014	0.4
116.03528	2.8
116.05058	0.9
120.04577	0.4
122.12843	0.5
124.77047	0.4
127.49027	0.4
144.58826	0.4
159.09251	0.5
201.10399	0.6
203.08289	13.0
245.09309	19.7
284.03262	22.7
285.04056	100.0
289.07901	0.5
297.04031	0.6
299.05539	0.5
307.18378	0.4
327.05176	2.1
429.07925	0.4
447.09363	88.9
635.02698	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	737.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53933	0.4
59.01383	3.6
62.26895	0.5
71.01394	1.4
83.01409	0.6
87.17542	0.6
88.11314	0.5
89.02448	2.0
96.96023	0.6
101.02428	1.3
107.01398	2.7
113.02416	0.9
121.02944	6.2
151.00374	37.9
165.05492	0.6
169.01529	0.7
178.99869	24.8
217.43480	0.6
229.05125	0.6
245.79150	0.7
257.04471	0.9
273.04037	3.8
301.03555	100.0
316.99829	0.6
345.10934	0.6
359.00150	0.5
435.22333	12.4
737.32971	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	737.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77428	4.7
55.91475	4.1
57.79564	5.0
59.01382	31.9
71.01382	7.6
88.15556	5.2
89.02425	20.4
96.65415	5.1
101.02448	25.7
113.02493	7.9
116.92853	5.2
119.03484	6.0
125.02467	5.4
194.35106	4.9
208.29340	5.0
219.94919	4.8
279.23331	100.0
397.13586	86.4
415.14401	19.6
434.17639	5.8
498.45309	5.2
677.37762	27.0
737.48840	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	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.3
64.44974	2.4
67.66853	2.4
71.01383	25.0
73.02961	3.9
89.02445	30.6
92.76665	2.8
101.02431	22.5
113.02441	14.1
118.51969	2.5
119.03481	11.5
125.02455	16.8
133.05128	3.0
151.67368	3.3
161.04582	4.2
235.08223	3.8
270.50189	3.0
279.23331	100.0
287.07880	2.9
397.13522	89.8
415.14453	25.5
677.37561	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	737.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01815	0.5
59.01385	7.4
70.89684	0.6
77.62217	0.5
80.41581	0.6
95.05024	0.8
112.07691	11.0
113.06078	4.7
129.10329	7.1
130.08731	19.5
133.86192	0.7
205.07469	0.7
207.15019	7.3
224.17676	4.2
225.16098	32.3
266.09891	0.7
288.76453	0.7
320.23544	4.5
337.26169	5.3
338.24478	8.4
339.20569	0.7
400.32437	0.7
433.31876	3.7
450.34567	4.8
451.32919	3.2
493.98993	0.7
546.40259	0.7
563.42786	3.3
589.58429	0.6
659.48962	4.9
677.49854	100.0
697.62640	0.7
737.52142	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	737.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.7
59.92136	0.5
66.25169	0.5
77.61952	0.5
86.24141	0.5
86.86522	0.6
92.20091	1.2
93.03143	0.5
95.05022	1.0
98.73235	0.5
112.07676	10.0
113.06050	2.7
117.75130	0.6
128.24562	0.5
129.10341	6.8
130.08736	15.0
136.17702	0.5
139.13065	0.5
207.15067	6.5
208.13539	0.8
224.17747	5.4
225.16107	29.9
288.23953	0.6
296.39301	0.6
320.23389	3.5
337.26157	5.1
338.24545	7.7
338.77115	0.7
433.31763	3.6
450.34552	3.6
451.32816	3.0
563.42944	2.1
612.56976	0.6
659.38879	0.6
659.48413	5.7
677.49841	100.0
728.28644	0.6
737.51770	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98836	100.0
71.01377	1.5
82.46087	0.4
89.02437	0.6
90.02836	0.4
100.43290	0.4
101.02435	0.8
129.21225	0.4
140.75296	0.4
181.46642	0.4
196.96947	0.4
277.21851	1.9
278.22113	2.1
279.22412	0.6
398.13931	1.5
399.14154	2.6
400.14252	0.9
481.82898	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	738.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23899	1.2
59.01380	8.6
61.38560	1.4
71.01381	9.1
87.00876	1.8
89.02476	2.2
92.19474	2.6
97.06541	1.7
101.02438	8.6
113.02472	5.7
122.06126	1.6
125.02429	3.7
125.09722	30.5
137.02467	1.7
165.01932	2.4
173.76752	1.6
222.06465	1.7
244.17064	20.7
270.18735	18.1
296.16617	2.2
314.17673	6.2
315.26724	1.5
370.27582	8.1
396.25375	7.9
396.29785	2.7
414.26492	8.5
422.27133	3.2
432.27545	11.8
440.28214	8.0
458.29138	14.2
476.29889	2.0
616.24738	1.5
694.35748	2.4
738.37268	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	739.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47166	3.1
71.45570	3.2
84.58859	4.1
90.74938	3.8
109.02963	8.2
117.54601	3.7
120.14309	4.2
123.04547	4.2
125.02446	100.0
137.02492	30.6
141.97487	4.0
151.04007	19.0
161.02477	34.9
164.01147	4.5
165.01912	6.8
174.18005	4.1
175.03969	6.7
177.01855	6.6
187.04083	6.8
203.07132	18.0
205.05083	7.6
235.60915	4.5
245.08176	41.7
255.03209	5.8
289.07230	44.8
339.08795	5.1
407.07867	18.8
425.09015	7.0
451.12439	25.9
569.13190	9.0
587.14001	27.9
613.16040	8.7
739.19128	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78746	0.8
57.03456	6.1
58.59467	0.9
61.78189	0.9
69.35255	0.8
69.64257	0.9
91.02236	0.8
92.20107	0.8
109.02953	6.7
123.04517	4.5
125.02444	100.0
137.02452	22.0
149.02434	1.4
151.04018	23.3
161.02455	43.5
161.06104	1.7
162.03107	1.3
163.04001	1.7
164.01178	3.6
164.81201	1.0
165.01898	5.5
167.03476	6.1
175.03984	2.2
177.01823	2.3
179.03438	1.9
187.04024	6.4
203.03477	1.4
203.07118	4.2
205.05106	4.8
217.05069	1.5
229.05156	6.6
231.02980	1.3
243.03145	1.4
243.06467	1.2
245.04485	4.1
245.08200	13.0
255.03017	35.7
256.03891	1.2
269.04434	2.3
271.06036	1.3
273.04068	4.7
283.02466	1.7
285.03754	1.0
287.05576	13.2
289.07220	19.5
297.04001	1.5
299.05435	1.5
329.06564	1.2
339.08844	4.2
407.07703	12.0
451.12173	10.0
569.13013	13.6
577.13898	5.2
587.14520	12.2
613.15796	11.6
739.18866	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	739.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69671	2.0
66.78840	1.9
90.40027	2.4
97.02944	2.4
109.02946	10.0
123.04507	12.5
125.02444	100.0
137.02428	20.2
149.02431	4.0
151.03979	13.8
161.02437	41.7
162.03239	2.6
163.03993	4.8
164.01070	3.7
165.01869	8.4
167.03487	35.4
175.03976	3.8
177.01952	5.1
179.03444	9.9
187.03996	3.3
197.04619	4.0
203.03665	2.1
203.07159	12.8
205.05066	10.7
211.14447	2.0
216.06966	2.0
217.05048	3.4
229.05043	9.1
243.02902	4.7
245.04448	7.8
245.08206	19.9
255.03008	18.1
256.03772	8.4
257.04764	2.3
269.04547	8.8
271.06119	3.2
281.04547	8.7
285.04102	8.4
287.05588	8.3
289.07190	44.8
297.04095	2.7
329.06766	4.2
331.08371	4.8
339.08780	12.3
348.73148	2.2
353.08298	2.1
355.58115	3.0
381.09860	2.7
407.07761	67.0
421.56653	2.2
425.08447	3.9
438.81165	2.4
449.09998	10.6
451.11795	3.1
467.09750	3.7
569.13055	17.3
574.18335	2.3
577.14001	2.9
587.14148	45.7
613.15765	3.6
619.14532	11.0
649.17914	2.0
680.10986	2.4
739.18799	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	739.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07837	0.5
64.29814	0.5
93.03441	2.4
108.62055	0.6
124.01633	8.0
133.02968	1.3
135.04541	0.6
139.04024	13.7
151.03999	3.3
152.01161	10.8
163.00366	8.1
164.01157	7.5
164.38232	0.6
165.01932	5.5
167.03490	100.0
178.02708	8.1
179.03508	13.0
203.73505	0.6
246.92856	0.6
257.04471	1.0
257.08359	1.1
267.06604	2.6
269.04367	0.7
270.05292	2.8
271.05960	1.0
272.75909	0.6
281.04459	1.0
285.04300	1.3
285.07620	12.3
296.03244	0.9
297.03900	1.0
309.03964	0.7
374.91995	0.6
403.08279	0.9
435.10895	1.1
453.11887	2.9
521.31891	0.7
571.16113	15.6
689.17188	1.1
696.40448	0.6
739.20428	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	739.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63446	4.0
60.92225	4.0
73.22393	3.9
93.29178	4.1
96.95986	5.5
102.86238	3.7
109.02961	34.8
116.24895	4.3
121.02939	10.5
123.04522	24.6
124.01654	6.3
125.02449	89.8
137.02440	44.4
149.02477	5.5
151.04019	55.7
155.10788	16.8
161.02437	41.9
161.06001	5.5
164.01163	5.9
165.01985	7.4
175.04086	7.2
177.05597	4.4
179.03467	8.3
187.04050	7.3
203.07124	22.6
205.01482	5.0
205.04999	17.7
205.30794	5.1
243.03152	5.9
245.04510	7.2
245.08124	31.4
255.02898	8.9
275.95697	4.4
281.04483	10.2
287.09216	53.0
289.07224	100.0
299.05658	5.0
339.08707	6.4
407.07550	23.9
417.09521	5.0
419.07565	8.0
449.12518	40.2
451.10315	26.7
569.14771	43.8
587.15771	89.8
739.20636	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32916	2.4
56.09963	2.5
59.01385	37.3
87.37813	2.8
97.73517	2.8
118.16332	3.1
121.02945	100.0
133.96700	3.4
218.13797	3.5
223.13383	4.4
296.99149	3.4
316.62024	3.0
439.84894	3.8
483.52625	3.3
490.82736	3.3
521.20239	4.5
597.02142	3.3
643.23877	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	739.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55454	2.3
57.03444	2.4
59.01401	2.1
71.01374	14.2
77.67098	2.4
85.49123	2.4
92.11330	2.4
99.00889	2.8
99.69648	2.3
101.02458	2.5
115.00360	38.7
117.03450	5.1
117.54964	2.2
119.05049	20.1
119.05847	2.6
125.02412	9.9
145.02957	100.0
161.04550	17.8
163.04005	26.3
175.06119	6.3
191.03612	2.9
193.07181	39.1
211.07642	62.0
239.10809	3.1
265.08719	15.0
273.06180	6.0
291.07196	37.1
309.07632	3.3
333.75787	3.1
339.10864	80.9
438.30948	2.7
458.31329	2.8
467.14151	14.5
485.14307	3.7
503.15790	14.7
646.78400	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	739.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57981	1.7
60.92028	1.7
62.67712	1.5
68.84823	1.8
71.01407	2.3
83.55307	1.8
115.00382	20.0
117.03484	2.6
119.05006	24.2
125.02423	8.9
145.02946	100.0
161.04514	4.5
163.04013	33.3
175.02324	2.1
175.06104	3.5
193.07242	20.5
211.07582	4.1
265.08762	8.0
273.06100	3.8
283.02454	4.5
291.07159	9.2
309.07767	2.8
311.01938	3.4
339.01477	2.0
339.10861	81.2
369.61877	2.3
467.14130	3.6
503.15610	4.8
518.07434	2.5
521.99664	2.2
612.79370	2.2
633.10583	2.5
739.13916	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	739.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43739	0.8
58.02985	1.8
68.99733	1.1
70.02977	5.7
72.04545	0.9
72.62156	0.8
74.02470	29.5
75.16962	0.8
76.54973	0.9
77.54119	0.8
96.08800	0.9
98.02470	5.9
116.03540	17.8
116.05037	5.5
157.95911	1.0
159.09248	1.8
201.10320	7.0
203.06384	2.1
203.08279	59.1
245.09311	100.0
252.17612	1.2
255.02805	1.0
289.08255	5.7
289.16425	1.2
312.27496	1.1
654.59607	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	739.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.0
64.80225	2.2
69.96291	2.5
69.96682	2.3
71.01369	20.1
87.48618	3.0
89.02432	21.5
91.46309	2.5
91.78959	2.4
101.02458	20.6
102.01970	2.5
104.84422	2.4
113.02428	9.8
119.03474	4.5
125.02425	4.7
171.20837	2.6
221.06700	3.2
235.08131	3.9
281.24884	100.0
289.36139	2.6
294.09717	2.9
397.08813	4.2
397.13574	73.5
415.14630	14.2
679.39075	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	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36298	1.3
54.47512	1.4
56.92379	1.4
59.01376	12.5
69.49740	1.5
70.92999	1.5
81.87154	1.9
83.11105	1.5
93.01378	1.9
125.02467	2.1
129.19885	1.7
152.22421	1.7
152.30272	1.5
172.62543	1.8
183.13890	3.2
211.13414	100.0
249.18587	42.2
251.88554	1.9
253.09361	2.7
326.67575	1.9
379.99619	1.6
380.84070	1.6
385.61414	1.7
447.22430	12.9
485.27850	2.2
679.40997	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	740.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79936	0.9
59.01385	2.2
61.98837	100.0
65.55981	1.1
67.09274	1.1
71.01386	1.4
81.80872	1.0
85.32051	1.2
89.02444	1.7
96.54613	1.2
101.02434	1.4
101.11136	1.1
111.17095	1.1
128.45450	1.2
139.36313	1.0
164.04466	1.1
279.23303	4.7
280.23660	5.8
281.24045	2.2
349.94669	1.2
374.86487	1.1
385.82376	1.2
397.13568	1.6
398.13824	2.4
399.14276	4.0
400.14438	1.2
581.09686	1.2
680.37970	1.5
771.45599	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	741.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75501	1.1
56.01364	1.6
61.82473	1.3
70.02943	1.4
74.02473	11.9
77.67538	1.4
83.01380	2.2
85.46914	1.5
97.02962	7.9
98.02486	2.7
109.02953	22.5
116.03490	2.7
121.03022	2.0
123.04573	11.4
125.02450	39.6
133.06171	2.0
135.04567	1.8
137.02415	12.2
139.04033	2.4
149.02426	3.2
151.03976	13.6
161.02415	9.2
161.06046	10.6
164.01144	2.7
165.01968	6.5
167.03499	3.7
175.03902	2.9
179.03568	11.7
187.04005	6.1
188.04817	2.9
202.06403	2.5
203.07031	13.4
203.08353	13.7
205.05069	15.5
221.08113	7.6
245.09169	28.4
247.06230	1.7
289.07217	100.0
289.10492	6.5
546.66632	1.9
589.17053	7.8
590.62830	2.0
669.33160	1.9
741.21912	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	741.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
76.93037	1.2
92.20161	2.9
101.80943	1.5
108.14862	1.3
144.08539	1.3
147.04512	9.4
165.83115	1.5
174.21916	1.4
551.60883	1.4
558.08588	1.8
626.25677	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	741.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.79902	1.2
147.04526	6.5
159.83955	1.4
164.74353	1.4
165.01933	7.9
294.67725	1.5
388.05756	14.1
403.08221	10.2
415.04440	3.3
476.89969	1.6
477.65482	1.8
531.07513	1.9
547.10065	6.4
579.13037	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.30506	0.8
71.01366	2.6
85.02956	1.2
89.02428	1.0
101.02451	1.6
113.02457	3.4
153.88191	0.7
180.03888	0.8
194.51553	0.7
216.09201	0.7
269.70181	0.7
315.19656	1.1
357.20944	0.7
519.25830	1.3
561.27332	8.6
579.27875	5.3
606.45599	0.7
621.28632	5.2
639.30707	5.9
681.31519	1.6
741.33606	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	741.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21793	0.9
59.01383	100.0
60.15228	0.9
67.07884	0.9
67.60942	0.7
71.01381	11.7
73.02933	10.6
73.03585	0.8
85.02956	1.5
88.05885	0.8
89.02441	18.4
93.65473	0.8
101.02451	7.6
113.02467	6.8
117.05572	34.1
119.03464	6.5
119.57920	0.8
125.02462	1.0
131.03487	1.1
143.03510	1.1
179.05630	8.8
186.42876	0.9
600.72180	1.0
741.37604	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	741.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78902	0.8
54.97455	0.9
59.01385	100.0
71.01380	14.6
85.02988	1.3
89.02435	21.1
99.04508	1.3
101.02444	10.4
113.02433	6.9
119.03479	9.0
143.03539	1.1
157.32066	1.1
161.04503	1.8
175.57108	1.0
179.05603	14.1
205.36229	0.9
219.13782	1.7
279.10907	16.2
411.67056	1.2
460.48294	1.1
741.36938	9.2
756.55304	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	742.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68289	0.6
55.93616	0.7
59.01385	100.0
72.99313	0.8
104.44769	0.7
139.39655	0.8
150.27107	0.9
173.99928	0.7
183.22574	0.9
201.18385	0.8
202.41774	0.7
208.09828	3.8
561.39825	0.9
606.29736	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	742.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09307	0.6
57.45271	0.6
59.01386	100.0
59.68998	0.6
63.81758	0.6
66.42081	0.6
82.72089	0.6
97.12887	0.6
113.82639	0.6
136.92831	0.7
190.08734	0.9
208.09787	0.9
209.31578	0.7
271.97534	0.6
313.56677	0.8
384.88840	0.7
425.11200	0.7
432.63257	0.7
551.84265	0.7
628.00104	0.7
630.05151	0.6
747.52637	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	743.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	7.4
72.99311	0.8
79.78602	0.8
82.26249	0.7
100.78250	0.7
115.00365	12.4
119.05023	25.3
133.01431	63.9
151.00339	4.8
163.04010	64.7
178.99884	3.1
181.32291	0.7
203.08279	1.4
215.30206	0.8
245.09416	0.9
255.02911	3.7
271.02353	5.7
279.05145	19.5
300.02747	100.0
301.03531	35.1
365.65250	0.8
463.08875	80.9
627.16553	0.9
703.16742	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	743.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89638	1.8
59.01368	12.8
95.09723	2.0
96.96019	2.1
153.09700	2.1
159.22110	1.9
161.25328	2.0
181.75610	1.9
186.12088	2.0
187.84023	2.3
356.79114	2.5
389.06528	2.8
415.04285	2.3
430.07269	2.2
481.08832	2.0
534.06012	23.9
549.08331	88.9
581.10681	8.7
743.16101	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	743.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91015	18.3
125.02448	25.7
140.82532	22.2
155.25417	23.6
175.04016	24.9
177.01860	26.6
278.48605	21.4
279.92343	20.1
342.02927	22.7
379.29495	23.1
638.79877	24.9
699.24347	39.0
743.24292	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	743.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08373	0.8
57.32063	1.0
59.01385	8.2
81.89386	0.9
84.50394	1.2
121.02953	100.0
127.00114	1.1
140.03349	0.9
220.06009	1.0
357.69952	1.0
429.43353	1.2
463.25574	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	743.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53814	0.7
57.12920	0.7
57.88098	0.8
59.01385	100.0
78.95900	0.9
79.56999	0.8
82.22993	0.8
87.65020	0.9
91.03998	1.5
125.02467	1.7
125.31236	0.9
140.65549	0.9
152.99622	1.4
255.23300	12.6
277.21640	5.7
279.23260	3.8
292.18082	0.9
313.23871	9.6
375.21713	1.4
465.26764	1.0
722.14496	0.9
730.38043	0.9
743.48315	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	743.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86020	0.5
59.01386	3.5
73.40460	0.6
79.59229	0.5
95.27600	0.5
99.42707	0.5
111.45623	0.6
127.91014	0.6
146.50076	0.6
257.62628	0.6
276.03445	0.5
277.21732	100.0
368.67401	0.6
377.83655	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	744.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98836	1.7
70.91492	0.9
72.99307	1.7
79.79984	0.7
109.24715	0.8
130.21101	0.8
147.36122	0.8
190.08556	1.0
203.49388	1.0
204.51056	0.9
208.09840	6.4
235.23837	0.8
349.89536	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	745.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
62.82904	0.3
63.02990	0.3
63.82383	0.3
67.01894	0.6
71.01370	1.3
87.09246	0.3
93.03451	8.7
105.01922	1.3
105.51351	0.4
111.04518	2.7
117.53038	0.3
122.89658	0.3
125.02433	1.7
137.02441	24.0
149.02441	0.4
151.00414	0.3
151.03984	0.4
155.03491	5.0
161.02460	4.0
163.00430	2.6
163.01616	0.3
165.01917	7.8
173.04546	100.0
176.01100	0.6
177.01907	8.3
190.02798	0.3
191.05603	1.4
191.51610	0.3
205.01430	2.1
218.02165	0.8
219.03099	0.3
228.73407	0.4
266.62460	0.4
309.04117	1.6
311.07751	47.9
327.05127	13.7
415.06876	2.7
433.07965	3.5
620.72424	0.3
683.01013	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	745.2517
Annotation	CHEBI:69780
Peak:m/z	Relative Intensity
57.13862	2.6
64.69506	3.1
66.21912	3.0
70.92356	3.3
73.74257	3.2
77.37241	2.7
83.64736	3.2
85.80724	3.2
99.00861	17.0
109.02955	5.3
122.03731	5.7
123.04510	17.7
151.04039	3.6
163.00346	5.7
164.01073	6.5
164.07654	3.6
167.03607	3.1
179.03508	7.7
191.48979	3.7
192.04391	5.6
207.06641	14.0
257.08267	6.8
258.08865	7.3
271.09656	5.8
284.10522	5.1
290.07993	6.2
297.11282	5.3
303.42426	3.2
316.09579	3.5
413.24893	4.1
566.54584	3.9
745.25116	100.0
774.24213	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	745.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89159	1.7
61.98834	24.1
68.74734	1.8
74.73528	1.6
75.79261	1.8
80.80847	1.9
98.75107	1.8
99.00863	4.4
108.02209	3.2
110.26770	1.9
110.69257	1.7
118.42257	2.0
123.04496	4.3
151.03949	3.6
152.19095	1.8
159.04507	4.2
160.05321	4.6
186.91217	2.3
192.04317	3.3
204.04288	66.4
204.06181	3.1
207.06581	2.5
219.06628	42.6
245.08150	2.5
258.08893	2.1
271.09421	2.5
294.09000	3.0
297.11246	2.7
309.11517	3.2
309.42645	2.1
324.33847	1.8
410.29913	1.8
433.16727	2.1
507.16278	2.8
727.24060	21.1
745.25092	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	745.2514
Annotation	CHEBI:69780
Peak:m/z	Relative Intensity
54.64975	1.0
59.08318	0.9
66.19175	1.0
71.64323	1.0
92.20060	1.6
123.04523	4.5
129.89290	1.0
136.01723	1.2
137.02428	1.2
148.05344	2.0
151.03951	1.4
154.79614	1.3
156.86694	1.1
158.17938	1.1
159.04495	4.4
160.05281	11.8
161.06068	5.7
163.07547	1.4
173.06001	1.4
175.07590	1.3
177.69936	1.1
193.17424	1.3
204.04279	100.0
205.05098	2.4
218.05701	2.0
219.06607	73.4
225.43880	1.2
231.06610	1.2
273.07648	1.1
279.13556	1.0
337.95581	1.2
351.08685	1.6
415.11530	1.2
489.15424	1.5
495.16501	4.7
709.23297	1.4
727.24310	20.6
745.25067	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.7
63.47329	0.4
74.36823	0.5
78.95911	0.9
80.18261	0.5
95.17486	0.6
121.02948	100.0
152.99588	1.1
168.69637	0.5
194.58531	0.5
213.02817	0.5
255.23315	3.3
260.11969	0.5
606.02051	0.5
745.46912	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	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83585	0.7
59.01381	15.2
85.27597	0.7
102.68640	0.7
110.62370	0.7
114.53635	0.9
121.02951	100.0
137.65530	0.8
147.11984	0.7
334.88477	0.8
428.06931	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	745.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30651	4.6
58.19208	5.0
59.01381	25.0
61.98839	28.4
62.23626	4.8
64.17581	5.2
65.68739	5.1
66.48976	4.7
68.34089	5.5
83.05009	4.7
116.92834	7.2
119.05035	5.7
122.80643	5.4
147.04488	33.3
165.05553	100.0
205.00276	5.8
215.46617	5.2
327.21829	6.2
415.35721	6.2
495.95148	5.9
518.73474	7.4
560.41541	6.5
570.82660	7.2
617.10028	6.2
745.26923	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	745.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.84594	0.9
59.01379	11.0
61.98827	1.1
71.01370	1.0
83.22027	0.9
89.02441	2.0
92.20127	3.4
95.94601	1.0
96.82106	0.8
97.38966	0.9
101.02428	2.1
113.02438	1.4
121.02920	3.9
123.55428	1.0
167.10757	2.1
175.37285	0.9
179.10773	1.6
179.14377	4.7
183.13965	10.2
193.12300	1.7
195.13899	12.3
205.12288	9.1
211.13396	100.0
223.13393	72.0
235.08215	1.6
253.09195	6.5
326.78870	1.1
399.25082	1.2
429.21182	1.3
447.22238	8.2
459.22314	9.0
510.71310	1.1
516.23462	1.1
635.34460	18.1
653.35541	40.0
745.40283	1.8
769.83569	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	745.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17834	1.0
59.01382	6.6
59.21493	1.0
61.98833	1.8
67.40321	1.0
67.49019	1.1
69.31183	1.1
71.01378	2.6
78.88480	1.3
90.52853	1.3
97.02942	7.6
104.27135	1.1
104.89837	1.0
105.07088	2.7
108.05804	2.7
109.02943	1.7
111.04518	4.9
113.06075	7.4
116.92808	2.0
121.06583	1.7
123.08126	2.2
125.06085	13.3
136.05257	4.1
138.06876	5.9
139.07661	23.0
150.53287	1.5
151.06488	2.1
151.07643	42.3
152.04787	5.7
152.08438	20.3
153.09219	14.8
153.83640	1.1
161.09656	2.0
163.07643	5.9
181.80779	1.1
186.10568	1.3
201.12798	16.2
204.11546	24.7
206.38606	1.3
219.13899	51.8
256.41138	1.3
263.12872	100.0
264.13162	1.9
285.04047	2.6
373.63211	1.2
745.41034	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	746.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55648	39.9
59.98664	39.9
73.73758	39.1
81.06104	38.2
106.02102	43.9
119.56912	41.0
121.02915	74.7
152.99567	49.5
165.49333	43.7
232.29430	46.4
238.74860	43.0
243.82127	40.6
255.23138	95.1
282.54373	43.6
543.10724	56.5
586.90540	46.2
746.47632	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	746.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
74.84608	14.3
125.02480	22.6
191.98581	15.2
289.82599	16.6
345.94574	16.2
588.95776	17.2
651.60553	18.1
691.38153	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	746.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67401	0.3
59.01385	2.6
61.98825	1.5
66.89928	0.3
121.02949	100.0
139.95921	0.4
142.52029	0.4
151.06277	0.3
153.78087	0.4
203.63756	0.4
246.57997	0.4
295.53357	0.4
296.73166	0.5
477.84912	0.4
746.25769	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	746.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89713	0.3
53.34918	0.3
59.01378	2.0
61.98837	10.2
62.33043	0.3
71.15601	0.3
73.29095	0.3
102.10012	0.3
107.45034	0.4
121.02950	100.0
127.35934	0.3
204.04263	0.5
263.17035	0.3
402.13477	0.4
410.21170	0.3
541.89978	0.4
601.14032	0.3
728.24548	0.7
731.62042	0.4
746.25244	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	746.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86452	0.2
59.01375	1.8
61.98825	0.4
88.67274	0.3
121.02953	100.0
139.62846	0.3
154.45554	0.3
155.79872	0.3
192.10324	0.4
219.76941	0.3
327.21823	1.4
328.22159	1.1
746.26068	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	746.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48031	1.2
58.26237	1.1
65.40662	1.2
74.18069	1.1
78.95925	10.2
85.69128	1.2
103.03876	1.4
122.00100	1.2
140.01169	7.6
152.99554	2.9
161.28661	1.1
161.68718	1.2
167.14429	1.6
187.48997	1.1
196.03787	10.0
203.31659	1.6
249.18509	8.7
255.23267	30.0
267.19662	81.9
275.16562	8.1
293.17624	32.5
300.34439	1.2
311.18680	5.1
369.58728	1.2
611.24225	1.3
746.46265	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	747.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17218	1.0
59.01373	1.4
72.89268	1.1
74.05519	1.2
92.20042	1.4
93.15246	1.1
99.92593	2.1
116.03546	1.5
116.92858	100.0
117.01990	1.2
121.02950	1.1
125.02462	1.9
141.31596	1.2
142.50380	1.1
159.78860	1.3
167.17197	1.4
225.05179	1.3
233.66972	1.3
351.08957	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	747.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72155	2.0
62.85695	2.4
71.98775	2.4
116.92858	46.1
121.02908	3.0
124.12521	2.4
134.03723	6.0
137.02423	10.7
139.04041	2.9
142.98727	2.3
146.03737	28.0
147.04495	3.1
149.02422	2.9
149.06070	6.3
150.03201	17.2
151.04041	18.7
152.01064	5.3
152.43637	2.5
161.06046	17.2
164.01131	3.7
164.04805	25.7
165.05537	24.8
167.03503	13.3
175.03978	16.6
176.04800	15.1
177.02061	3.0
177.05638	4.4
179.07097	25.2
180.04286	3.7
189.05534	6.1
190.06367	73.1
195.03264	2.9
218.20964	2.7
219.02980	13.2
220.03702	10.9
234.05336	16.0
267.16000	3.3
276.89807	2.5
281.56268	2.9
284.09473	3.0
338.67117	2.6
357.09824	3.8
371.11389	10.4
373.12906	2.8
385.13080	3.3
519.16376	3.7
549.17670	15.2
567.18719	100.0
673.08820	3.7
699.25171	3.5
717.24030	4.0
747.26300	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	747.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01385	35.9
73.02968	2.7
74.02403	2.1
82.47171	2.3
85.02944	12.1
89.02448	31.1
90.18666	2.5
92.20135	2.9
95.01385	2.7
97.02895	3.9
98.89967	2.7
101.02451	25.1
101.11505	2.3
101.86327	2.3
104.78738	2.4
107.00492	2.5
111.05523	2.4
113.02434	31.8
119.03482	5.5
119.08631	3.0
129.34009	2.7
133.06651	3.4
149.06067	13.4
149.09721	5.6
165.09230	9.4
179.05579	3.1
179.07082	3.4
195.10260	3.9
211.09822	18.6
255.13843	4.1
273.79407	2.7
297.14926	4.5
315.16022	4.2
345.16919	4.0
401.14819	3.3
507.22437	25.5
525.23499	24.7
567.24194	5.0
585.25433	14.9
627.26270	3.0
645.27496	12.2
687.28662	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	747.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
57.81002	0.8
60.94838	0.9
69.03458	1.5
80.08669	1.1
80.72726	1.1
81.33436	0.9
83.13303	1.0
88.98819	7.6
92.52537	1.0
92.53157	1.1
97.02921	1.9
103.21648	1.0
115.68859	1.4
116.92873	1.8
125.02429	1.1
146.92320	1.1
177.12862	4.5
191.14442	8.7
193.15974	4.3
203.14423	4.1
209.04803	1.2
221.15489	100.0
222.15800	2.2
265.14471	89.3
266.14813	4.7
404.66940	1.1
424.53802	1.2
433.74243	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	749.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21431	2.9
71.01362	4.1
72.29860	3.4
72.65147	3.3
75.00875	14.6
75.37350	3.4
77.22719	3.5
78.95908	6.0
80.11450	3.2
81.81854	3.2
85.21561	3.6
89.49391	3.3
92.95869	4.5
96.95996	5.4
96.96951	21.6
99.00899	6.2
109.02898	7.3
121.02921	4.7
123.04579	6.0
125.02428	76.0
135.02988	50.4
137.02434	19.5
149.02446	5.9
151.03975	4.3
160.45361	3.9
161.02426	24.2
163.00372	7.2
164.01149	6.8
165.01915	30.5
167.03511	42.1
175.03979	16.2
177.01929	24.4
199.03973	7.7
203.03615	4.7
213.05513	7.1
214.02667	4.5
217.05019	6.5
222.07101	3.4
224.04771	4.7
225.05711	6.9
227.03539	4.3
229.05096	6.8
231.02960	4.3
239.03488	15.9
240.04216	6.7
241.05022	19.7
243.02939	17.8
245.04663	4.0
247.06073	4.6
251.03407	5.5
252.04480	3.7
253.05142	8.4
255.02979	9.1
255.06763	8.4
257.04514	8.6
263.07040	4.8
265.05167	6.8
267.03033	8.0
267.06210	4.4
269.04504	24.4
279.02908	13.3
280.03757	5.4
281.04556	27.1
282.01791	7.5
282.05145	4.6
283.02420	35.7
283.05853	13.7
285.04010	14.2
287.05566	13.7
293.04590	15.2
295.02444	22.2
295.05731	4.4
296.02960	12.6
297.04083	48.7
303.06598	5.6
307.02820	4.7
307.06195	21.4
309.04120	42.2
317.04697	5.1
319.06122	6.9
321.04010	6.7
323.01999	15.3
325.03580	21.0
327.05109	7.6
331.06183	6.4
333.03748	5.9
337.03586	27.0
337.07129	4.6
338.04623	5.8
339.05035	4.7
353.06870	4.2
357.07849	4.3
359.05548	7.1
361.07047	14.8
383.05603	4.0
389.06509	4.7
401.06244	5.8
407.07715	29.3
419.07907	5.4
423.07312	62.6
445.05746	6.1
447.07074	8.8
459.07156	7.6
461.04993	16.3
463.06506	20.0
487.06613	6.9
531.12659	4.4
553.10077	4.6
573.10516	5.2
575.03748	4.3
575.12073	84.5
579.08008	16.5
581.09302	21.5
597.08923	100.0
602.46600	4.3
613.10010	37.1
631.10815	14.1
676.57178	4.0
731.12823	25.5
749.13940	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	3.5
62.73504	2.9
75.00877	7.2
79.72367	3.7
81.03486	3.9
99.00877	4.1
121.02944	4.0
123.04467	6.8
125.02458	59.5
135.02989	24.4
137.02478	5.6
151.03961	4.4
161.02457	17.8
163.00325	4.7
164.01146	7.3
165.01953	18.7
167.03487	37.3
175.04025	19.6
177.01892	5.8
183.06723	5.0
187.04039	5.9
199.03847	13.4
200.60585	4.3
203.03545	6.4
229.05122	6.1
237.05576	4.4
241.05077	8.0
243.02946	18.9
253.05067	16.2
254.06055	4.2
255.03091	7.6
255.06499	6.6
257.04623	7.1
263.07120	4.7
265.04947	13.4
267.03134	4.1
267.06708	6.8
269.04584	14.5
276.07892	4.3
280.04068	4.4
281.04553	17.1
283.02515	15.8
283.06113	7.2
285.04092	7.3
287.05603	5.9
293.04645	5.7
295.02472	7.5
296.03314	4.1
297.04041	44.2
307.06247	17.5
309.04178	31.5
309.07272	5.7
321.03949	4.7
323.01813	7.1
325.03513	16.3
325.07086	6.8
337.03522	14.3
361.07281	5.6
407.07736	26.6
423.07346	59.8
447.07318	14.1
461.05457	6.0
463.06616	6.8
487.07004	7.1
513.12183	4.9
531.12726	4.1
575.11975	100.0
581.09875	5.8
597.08929	37.7
598.59967	4.3
613.10052	23.1
631.10498	6.7
731.12646	15.9
739.25665	4.0
747.31232	4.2
749.14069	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
72.78180	6.0
75.00845	11.3
79.19151	6.3
99.00880	7.0
109.61992	6.1
123.04508	5.9
125.02433	87.8
130.65462	5.7
135.03018	47.8
137.02443	6.3
151.04008	7.2
161.02467	23.7
164.01137	8.2
165.01929	14.8
167.03479	35.3
175.03947	12.9
177.01869	10.5
191.55052	6.8
199.04016	13.1
227.03516	9.9
237.05521	7.9
239.03589	8.2
241.05034	24.8
243.02980	15.3
253.05026	13.2
255.02937	13.1
257.04602	10.3
263.07065	7.6
265.05048	12.2
267.02930	12.0
269.04507	15.3
281.04486	27.1
282.01846	6.2
282.05481	6.9
283.02661	14.6
283.06149	12.4
285.04099	13.3
287.05524	7.5
293.04562	12.3
295.02475	13.6
296.03326	11.6
297.03955	50.3
305.36407	6.6
307.06131	24.9
309.04178	43.4
317.04745	8.1
323.02121	13.8
325.03470	22.4
335.01892	7.0
337.03439	29.2
347.05591	9.2
407.07639	12.6
423.07120	51.1
445.05878	7.7
447.07202	30.5
463.06763	13.7
487.06689	9.0
575.12042	82.9
579.07953	8.4
597.08820	100.0
613.09991	31.6
631.10730	9.5
731.12732	41.2
749.13361	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	29.1
113.70753	2.2
121.02963	17.3
122.03725	18.0
123.04505	12.5
125.02426	3.2
133.02916	3.6
134.03688	3.7
137.06067	10.3
145.02913	8.5
146.03775	4.2
147.04495	3.2
149.02426	20.8
149.06070	8.5
150.03217	84.5
150.04436	3.0
151.04050	3.0
161.02396	2.8
161.06038	8.8
162.03297	4.7
164.04778	12.9
165.05554	100.0
179.03380	2.1
180.04352	4.3
195.06596	23.0
224.45702	2.8
240.04210	2.2
255.06900	2.8
270.08951	14.4
271.09601	2.7
285.11316	9.2
308.10431	3.9
342.11090	3.2
343.11990	3.8
357.13461	32.9
411.14545	9.8
505.18741	40.5
517.18793	9.3
535.19867	14.6
553.20966	20.7
559.20789	2.8
653.24103	10.5
683.24915	12.7
701.26086	23.1
727.82532	3.3
731.27277	11.1
749.28375	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	749.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14872	0.4
57.03477	0.3
58.03502	0.4
59.01394	6.1
66.32918	0.4
69.93082	0.4
75.00871	0.6
78.60737	0.4
82.74554	0.4
85.02980	0.5
96.96967	0.9
97.02954	1.7
111.04511	0.6
119.05019	2.4
121.02956	100.0
137.02448	0.8
138.08301	0.5
163.04056	2.8
165.01959	0.6
165.09229	2.3
171.21281	0.4
173.17542	0.4
177.09239	0.5
181.05049	1.0
186.13638	0.5
191.07202	1.0
203.07213	0.6
223.06110	4.4
229.12227	1.0
233.11829	0.5
245.07959	0.6
283.90497	0.5
313.14447	0.7
319.15540	20.6
327.15964	0.8
336.88409	0.5
361.16626	1.1
373.16644	4.4
386.00937	0.4
403.17648	1.0
469.16086	0.6
525.13580	1.2
525.21368	26.0
547.81616	0.5
644.85712	0.5
659.24457	0.7
689.26270	7.8
749.31696	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	749.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20439	1.8
59.01384	100.0
62.51933	2.0
80.33790	2.0
88.76521	2.1
116.92860	9.7
117.92847	3.2
121.02946	80.8
125.02402	3.1
164.19635	2.4
233.30347	2.9
249.57527	2.3
265.05646	2.3
689.28070	2.8
749.31714	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	749.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45133	0.8
59.01109	1.3
59.01389	32.8
60.51524	0.7
65.37855	0.8
71.01389	1.8
88.87841	0.9
89.02467	0.9
121.02950	100.0
125.02388	1.1
152.37120	1.1
173.00934	1.0
269.17538	1.1
306.73773	1.1
356.48907	1.1
427.12259	1.0
444.11700	1.1
483.47562	1.0
504.64658	1.1
507.22595	1.4
629.26160	4.2
647.27081	7.2
685.75568	1.2
689.28339	30.7
749.30255	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	749.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.8
71.01382	21.8
73.02934	7.0
83.01407	1.5
83.62644	0.8
85.02963	5.9
87.00860	1.0
89.02444	11.0
95.01382	0.9
99.00881	1.6
101.02450	20.7
108.02215	1.1
113.02428	11.7
113.26385	0.8
115.03008	0.9
119.03506	5.3
120.71321	0.8
121.02960	1.0
123.04501	3.6
125.02471	1.7
139.11276	1.0
140.73886	1.1
143.03499	1.3
150.03230	7.8
152.01125	5.7
159.02986	1.9
161.04562	11.3
164.04764	1.7
165.05566	20.8
167.03482	17.4
180.04240	1.3
195.06618	5.9
200.75487	0.9
201.11322	1.9
256.07339	4.8
292.38138	0.9
315.08661	7.1
319.17667	4.1
331.08466	1.1
363.10925	20.5
363.16611	100.0
702.10229	0.8
727.71283	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	749.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60802	0.8
57.09973	0.9
59.01386	7.5
62.35729	1.0
67.57051	0.8
71.01390	3.7
71.05030	2.2
78.95879	1.1
85.06564	1.1
89.02453	5.6
92.20153	1.9
101.02436	5.3
109.06587	8.2
111.08122	1.7
113.02419	1.9
116.61151	1.1
123.08197	1.1
125.36599	1.1
127.07628	1.8
143.10767	1.0
145.06554	1.4
147.57004	1.0
149.09755	1.8
161.04585	1.0
167.10759	5.5
177.12946	1.2
179.10785	5.2
179.14413	5.2
195.13896	22.4
205.12361	13.2
223.13396	89.8
235.08064	2.3
237.14917	5.3
245.19052	6.8
251.16417	1.2
253.09229	5.8
257.29172	1.2
271.17050	1.4
275.16632	1.3
289.18094	100.0
307.19116	8.2
441.21124	2.0
459.22324	16.0
470.42065	1.1
502.94998	1.1
525.27124	11.4
566.47021	1.1
621.32477	2.0
625.22644	1.2
673.36011	7.0
713.39069	1.9
731.40369	18.6
749.41321	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	750.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39933	0.4
70.69936	0.4
71.01380	8.9
75.63587	0.4
106.14622	0.4
115.00378	9.0
117.03461	1.0
118.00311	0.5
133.01425	17.8
134.03746	32.9
142.55687	0.5
149.06085	6.5
178.02718	4.5
189.86491	0.4
193.05067	100.0
193.99969	0.4
233.69655	0.4
241.60057	0.5
260.57202	0.5
309.06195	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	750.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61036	0.4
57.04467	0.4
58.02960	3.7
68.08865	0.5
70.02980	7.9
71.56289	0.5
72.04534	0.7
74.02469	33.5
98.02474	6.8
116.03522	15.0
116.05022	5.5
130.06606	0.6
159.09233	2.3
183.09322	0.9
186.05592	0.9
193.05014	0.6
201.10338	6.5
203.08272	62.3
204.08540	1.1
245.09296	100.0
246.09660	4.6
270.37323	0.5
289.08313	4.9
353.29068	0.5
489.25455	0.5
701.06647	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	750.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00703	1.0
59.01378	2.5
69.49506	1.3
72.99308	36.3
99.13764	1.4
121.02946	72.6
125.02455	1.8
142.18507	1.3
153.89990	1.3
162.09239	8.7
167.39964	1.5
190.08737	30.1
195.08224	1.7
203.72290	1.4
208.09802	100.0
221.09784	3.0
239.10809	7.3
257.11667	1.7
283.09821	2.5
377.43173	1.4
492.20178	2.0
510.21371	11.6
524.42651	1.3
552.99866	1.7
583.31927	1.8
632.25140	35.5
719.94916	1.6
750.31500	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	751.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95229	9.6
60.89417	8.9
65.77927	11.8
74.81430	10.9
84.95074	9.7
125.02431	45.3
135.03000	13.6
163.00311	24.4
165.01999	45.8
177.01947	24.4
255.03128	11.4
257.04803	10.7
283.02585	12.8
296.03400	15.0
327.05032	15.8
463.06870	50.5
615.11542	100.0
751.15399	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	751.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07297	1.1
56.13506	1.1
58.42850	1.2
75.00858	3.1
84.48885	1.4
85.02966	12.3
92.19440	2.7
98.45014	1.3
102.04425	1.2
109.02946	3.1
110.01754	1.2
123.04523	2.1
125.02435	19.4
129.01942	6.8
135.02989	8.7
137.02434	15.2
139.03999	2.3
149.02411	2.9
150.03246	1.9
151.04039	2.3
153.01913	1.9
161.02396	13.0
163.00398	24.9
164.01163	2.2
165.01927	8.4
167.03482	1.9
173.00935	5.7
173.04562	5.4
175.03970	2.2
177.01950	5.9
179.03540	2.0
187.03975	2.6
189.01974	3.2
191.03638	1.6
202.99867	2.3
203.07167	1.8
205.05043	2.8
209.00874	2.8
215.03505	2.7
217.01433	3.1
225.05576	6.3
227.03654	2.1
233.13109	1.3
239.03404	3.0
241.04976	5.2
243.02979	13.4
245.08269	5.9
253.05072	5.3
255.03038	7.2
257.04492	12.6
262.59540	1.4
267.02893	11.2
268.03851	2.0
269.04556	24.7
270.05389	15.2
281.04562	13.7
283.02524	17.1
285.04211	2.0
289.07156	8.2
295.02658	11.7
296.03275	8.8
297.04041	16.4
299.05551	2.9
302.04184	1.6
311.01859	2.4
312.02722	5.8
313.03503	6.3
325.03421	5.8
341.02823	1.8
355.06094	1.4
403.08127	1.8
407.07944	5.3
419.07819	12.6
421.09360	15.2
430.14499	1.6
447.07169	9.6
463.06720	34.5
465.08328	17.7
481.07733	1.7
492.06744	2.0
493.07785	8.0
577.13458	2.8
589.16284	1.8
615.11475	100.0
633.12628	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	751.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
65.83502	1.9
75.00850	2.3
80.34214	1.9
83.01352	2.5
109.02924	13.8
109.04102	2.2
123.04515	11.5
125.02447	49.3
135.00868	2.5
135.02979	12.0
137.02444	26.6
149.02411	11.0
151.03993	5.3
153.01854	3.1
161.02461	25.8
161.06076	2.8
162.03111	2.5
163.00349	60.5
164.01117	12.3
165.01944	19.7
167.03494	4.2
175.03970	4.9
176.01123	10.1
177.01912	16.3
179.03494	4.2
187.03944	2.7
187.08504	2.3
189.01944	9.1
192.00459	2.8
193.01466	2.8
202.99954	4.2
203.07063	8.8
205.01364	11.9
205.05077	15.0
209.00992	5.2
213.05449	2.7
215.03458	4.7
217.01457	5.1
219.02985	2.4
225.05499	3.5
231.02940	3.4
239.03490	2.9
241.04985	3.4
243.02936	3.7
245.04431	3.5
245.08209	20.9
253.05156	4.9
255.03027	15.6
256.03635	2.9
257.04581	12.0
267.02994	5.7
268.03854	4.4
269.04507	20.5
270.05328	15.4
281.04517	12.1
283.02481	27.3
285.04047	8.6
287.05588	3.6
289.07181	30.6
294.01791	4.2
295.02444	10.8
296.03195	9.3
297.04245	15.8
299.05466	4.1
302.03958	2.8
311.01971	4.7
312.02588	8.8
313.03622	5.3
323.01984	4.3
325.03485	9.5
367.03540	2.6
401.05542	9.2
407.07626	24.6
419.07672	13.2
421.09290	12.7
425.08841	16.4
427.87387	2.7
445.05539	5.6
447.06967	5.0
450.76135	2.2
451.10315	10.7
463.06711	64.1
464.07407	3.3
465.08282	9.3
492.07047	2.9
493.07819	10.2
577.13733	47.4
615.01868	4.8
615.11505	100.0
633.12720	4.1
719.71375	2.5
733.14038	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	751.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38206	2.2
57.09615	1.7
59.01372	3.6
62.41167	1.7
71.01393	2.3
75.00838	4.0
79.67916	2.3
87.00882	4.2
90.95654	2.2
107.45540	2.3
109.02927	8.7
123.04503	3.4
125.02422	40.4
135.02986	16.0
137.02458	30.0
139.04013	12.0
140.55501	2.1
149.02428	5.0
151.00351	10.8
151.03996	3.9
161.02415	20.1
162.03265	3.3
162.99048	2.7
163.00380	58.0
164.01196	3.4
165.01894	10.5
167.03471	4.5
171.32590	2.1
175.03966	8.7
176.01163	8.2
177.01941	15.8
187.03963	2.6
189.01961	4.3
201.02122	2.2
202.68199	2.0
202.99944	3.8
204.00671	3.1
205.01428	3.2
205.05028	3.4
209.00905	11.4
213.01935	3.9
215.03363	3.7
216.00696	2.4
217.01414	4.4
227.03549	2.7
227.07132	2.5
231.03012	3.7
235.02466	4.3
239.03517	3.8
241.05042	3.7
243.02928	9.1
243.70204	2.1
245.08244	9.9
253.05164	3.5
255.03081	10.6
256.03836	2.3
257.04510	11.7
267.03061	15.0
268.03720	9.7
269.04578	19.0
270.05383	10.9
271.04630	12.8
273.03952	3.1
279.11066	2.2
281.04608	8.1
283.02481	43.9
284.03400	2.7
285.03928	2.5
288.51910	2.6
289.07205	22.4
294.01773	12.4
295.02344	17.7
296.03241	4.7
297.04047	13.9
299.05707	4.0
311.02051	9.1
312.02859	16.8
313.03650	3.5
323.01956	3.6
325.03610	12.2
341.02975	3.7
381.19318	2.1
407.07892	11.9
419.07733	11.5
421.09277	4.1
445.05658	10.2
447.07071	7.8
451.11053	2.8
463.06735	100.0
465.08087	13.7
477.93240	2.5
492.07385	2.8
493.07813	3.5
538.34045	2.6
577.13617	8.4
578.33038	2.4
581.09607	2.3
615.11530	78.1
618.80933	2.1
628.73364	2.1
631.10254	3.7
661.12439	9.8
689.40198	2.2
733.14380	2.5
741.81409	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	751.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58222	4.5
55.63516	4.0
57.42695	5.3
60.51307	4.7
75.00860	4.4
106.29874	4.6
120.69670	4.6
125.02453	31.4
135.02986	9.0
137.02393	6.8
146.55223	4.9
161.02422	32.1
163.00395	9.0
165.01944	51.5
176.01224	11.4
177.01930	31.1
205.01489	8.7
225.05362	5.6
234.42595	5.5
255.02843	5.7
257.04590	10.0
267.02853	10.8
268.03751	5.8
269.04590	34.0
281.04559	8.3
283.02432	7.6
296.03220	18.1
297.04132	22.6
327.05084	23.5
419.07684	9.9
445.05194	6.6
463.06589	38.8
465.08539	5.5
481.07666	7.8
615.11572	100.0
633.12744	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	751.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77262	5.7
74.67817	5.3
109.02967	6.2
125.02438	24.3
134.93188	5.7
149.02347	6.6
150.56282	5.8
151.03992	5.8
161.02463	26.6
165.01918	38.7
176.01270	6.3
177.01978	30.8
257.04520	25.6
268.03510	7.0
269.04507	25.2
293.30777	6.4
295.02530	7.3
296.03152	9.3
297.04117	24.3
310.98032	5.8
327.05142	23.6
339.78604	5.6
347.85944	7.0
384.51050	5.9
428.15848	6.4
463.06815	30.5
615.11639	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	751.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66027	8.9
64.57690	9.2
64.74543	8.5
109.02899	11.2
125.02454	12.8
134.60670	9.6
137.02469	8.7
148.42651	10.0
149.02339	15.4
163.03970	10.4
165.01947	11.5
165.05545	40.1
168.64220	10.4
180.55807	11.3
205.05109	14.0
247.06143	10.3
285.07535	15.0
289.07144	16.0
369.49448	10.1
422.22000	11.1
437.12457	22.0
437.27963	11.0
449.12457	42.9
467.13571	100.0
751.22437	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
62.01612	1.5
79.22691	1.6
83.01402	3.7
87.07843	1.5
97.02934	3.9
109.02409	1.6
109.02965	23.6
121.02943	10.8
122.03729	2.0
123.04543	21.3
125.02396	16.0
135.04538	9.3
137.02444	6.8
139.04047	2.9
149.02472	18.7
149.06062	3.9
150.03217	3.3
151.04025	17.2
160.05276	2.2
161.02460	18.6
161.06065	10.1
162.03189	2.3
163.00348	2.4
163.03998	17.7
163.07631	8.0
165.01906	7.7
173.06114	3.0
174.25703	1.7
175.04030	3.4
175.07690	2.9
179.03503	3.3
186.06902	2.1
187.04048	7.5
187.07674	7.0
189.01831	3.1
201.05510	3.2
203.03499	7.4
203.07208	13.4
205.05063	27.6
219.06633	2.3
224.45386	2.0
229.05246	3.4
229.08650	3.0
231.03143	5.1
231.06650	3.0
245.08115	9.9
247.06082	9.1
269.04291	1.9
270.05359	8.7
272.07098	2.1
273.07727	3.4
282.05161	2.3
285.07632	19.2
287.06525	1.8
287.09274	14.9
289.07150	24.3
310.05084	2.2
315.08719	3.4
324.06351	2.0
325.07187	2.6
326.07913	2.4
327.08377	3.0
393.13654	2.5
434.19974	1.9
437.12451	28.7
449.12531	43.1
467.13507	100.0
599.17346	5.9
751.22021	44.3
751.32910	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	751.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78217	0.3
54.46829	0.3
56.50112	0.4
59.01379	2.6
64.14182	0.5
65.56380	0.4
71.01376	2.6
77.72350	0.4
89.02448	5.0
97.02954	1.7
101.02431	0.5
109.02930	2.5
122.03696	1.6
125.02431	4.6
132.95613	0.5
137.02451	1.7
151.04057	0.6
165.02003	0.5
167.07130	100.0
179.03568	0.5
182.54176	0.4
203.07133	2.0
205.04977	1.0
233.06595	0.7
245.08089	3.3
289.07193	8.6
293.08820	3.8
461.16718	37.8
571.82098	0.5
615.12006	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	751.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15151	0.5
69.52920	0.4
71.01382	8.8
74.82654	0.4
85.18658	0.4
93.87020	0.4
105.53996	0.4
115.00360	11.1
117.03451	1.1
118.01120	0.5
133.01428	40.5
134.03745	37.7
134.04524	0.5
149.06087	8.4
178.02745	3.6
193.05069	100.0
211.88210	0.4
225.53127	0.5
234.87268	0.5
309.06174	24.8
328.01529	0.5
470.42630	0.5
472.33945	0.5
751.15161	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	751.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31087	96.9
75.51788	90.6
99.67260	100.0
232.20886	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49195	3.2
53.74632	3.4
57.88055	3.0
59.01385	90.0
71.01392	58.6
73.56207	3.8
75.00864	4.7
83.17998	3.4
85.02954	6.1
87.00883	5.7
89.02448	100.0
95.01363	3.5
99.00871	4.1
101.02441	43.1
109.02975	5.3
113.02439	34.5
119.03481	35.4
125.02461	22.9
135.03001	7.9
137.02438	17.6
145.02951	46.8
146.03806	4.5
147.04518	17.3
150.03224	6.7
151.04097	4.9
161.02461	36.0
161.04536	5.6
162.03249	60.3
163.00339	32.5
165.01933	6.4
165.05582	28.4
175.03978	4.1
177.01959	8.1
177.05573	24.0
179.05632	64.9
180.04295	15.3
189.01971	4.0
195.06650	45.7
209.00865	4.1
243.03084	5.2
245.08170	4.2
267.03036	6.8
269.04474	6.4
275.44730	3.7
280.59314	3.9
281.04300	4.8
283.02499	21.6
289.07242	18.4
294.01468	4.7
295.02466	6.8
312.02719	6.1
357.11914	82.6
375.13049	61.9
425.08557	4.0
445.05670	7.5
447.06995	4.8
463.06845	48.7
481.99374	4.1
493.08298	3.5
495.53244	3.6
577.13519	8.7
604.66083	3.8
615.11462	43.3
710.94580	4.7
733.14441	4.6
751.14697	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	751.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68172	0.6
58.00607	1.0
59.01390	0.8
59.38366	0.7
70.88577	0.6
71.01375	2.7
73.02935	0.8
73.95490	0.6
85.02941	1.4
87.00891	2.8
92.20154	1.1
101.02440	1.7
109.02943	0.7
111.00851	0.9
113.02477	0.9
125.02427	3.0
127.52972	0.7
135.02942	1.0
137.02438	1.6
139.58647	0.6
145.02946	2.8
149.02461	6.2
150.03230	18.8
157.98584	0.6
161.02415	1.5
161.04550	0.8
162.03177	1.5
163.00372	4.4
163.04164	0.8
164.04782	16.9
165.05562	100.0
177.01944	1.0
177.05539	0.8
180.04263	3.8
187.03795	0.8
195.06627	28.5
198.77744	0.7
206.86336	0.7
217.01314	0.7
217.73390	0.7
224.99266	0.7
243.02882	0.8
244.97653	0.7
245.08093	1.0
267.02951	1.0
269.04654	1.1
271.04526	0.9
283.02383	3.5
289.07126	1.2
312.02823	1.0
327.10828	34.3
339.10748	0.9
357.11975	9.4
375.12967	4.1
419.07559	0.9
427.05374	0.7
445.05545	0.8
447.47305	0.8
463.06674	9.9
615.11511	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	751.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54311	11.2
57.23762	11.4
59.01384	23.8
61.62297	10.9
63.79329	13.7
67.29914	11.0
109.57197	13.0
116.40149	13.0
121.02929	100.0
154.34917	13.9
451.30698	15.0
559.07648	14.4
678.81793	14.3
715.15668	19.0
765.07117	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	751.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90330	39.9
67.10576	45.4
88.05605	44.5
121.02952	100.0
127.81053	44.4
128.15982	53.4
176.02293	53.1
224.73784	55.9
405.02155	50.9
430.51447	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	751.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30030	1.3
54.98230	1.6
59.01385	100.0
59.01683	3.5
59.52374	1.4
71.90070	1.4
73.22665	1.8
89.12819	1.8
101.06682	1.7
121.02948	33.8
126.64018	2.5
150.67583	1.7
200.38458	1.7
237.24925	2.2
379.32916	1.8
634.94257	1.8
709.19641	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	751.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28809	2.0
53.57056	2.5
55.61004	2.0
67.18711	2.2
67.58521	2.5
92.20061	5.3
96.96007	2.7
115.88796	3.1
122.03712	6.3
123.04519	5.1
125.02441	2.7
134.03784	3.2
149.02417	17.4
150.03220	70.2
151.03972	5.3
161.02444	3.9
164.04825	5.5
165.01985	3.7
165.05560	100.0
166.06352	17.3
180.04337	4.6
180.06978	2.7
181.08711	11.7
195.06683	20.9
205.05063	4.0
289.07059	4.2
295.06256	3.3
298.08450	6.2
313.10828	11.0
314.11450	6.1
315.04904	2.9
326.11612	4.5
329.13965	15.3
446.13876	3.2
467.13620	3.4
507.20282	6.4
525.20929	4.2
537.21411	6.0
553.75287	3.4
555.22845	3.6
703.27966	23.5
733.28284	5.7
751.30988	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
62.35417	2.0
63.86465	2.1
68.94627	2.0
84.19782	2.2
107.73713	2.2
108.02158	3.9
109.25296	2.4
121.02909	3.6
122.03716	9.4
125.02403	2.8
136.28444	2.3
149.02414	14.3
150.03218	72.9
151.04048	3.7
164.04759	12.6
165.01935	3.4
165.05559	100.0
166.06343	3.7
179.03497	4.2
180.04305	9.5
181.08652	3.8
195.06627	25.5
202.30826	2.5
231.20593	2.3
269.84381	2.1
283.09702	2.9
295.06219	3.8
295.09824	2.8
298.08527	9.3
299.09109	9.7
310.08469	4.1
311.09299	11.9
313.10770	19.9
314.11621	32.4
326.11487	19.5
328.13223	3.6
329.13971	34.7
341.13776	17.5
343.11798	16.0
373.13092	2.8
391.14127	4.6
457.88467	2.4
467.13370	3.6
507.20203	17.4
525.21509	3.5
555.22498	15.9
636.62891	2.6
703.27441	30.8
721.28741	3.4
751.30597	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	751.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
92.20110	3.4
96.95451	1.5
102.68806	1.7
105.37884	1.5
121.02940	27.1
399.44553	1.8
513.81451	1.7
527.33124	1.6
559.67114	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	751.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48486	0.3
62.01421	0.4
71.24468	0.3
90.82037	0.3
92.20076	0.8
100.42113	0.4
107.01364	0.5
130.34645	0.4
133.84055	0.4
140.61508	0.3
149.02443	0.5
151.00357	2.1
165.01979	1.4
201.05540	0.5
219.29158	0.4
269.04553	100.0
270.04962	0.8
271.05954	1.7
276.12811	0.4
410.17569	0.4
560.99353	0.4
737.37341	0.4
751.33307	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	751.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24933	1.4
59.01145	1.3
59.01387	14.5
69.03438	3.3
71.01367	6.6
74.48100	1.7
85.82269	1.6
89.02460	2.5
101.02419	7.5
109.06593	1.5
111.08229	2.0
116.20874	1.5
133.55260	1.5
161.04503	1.8
167.10736	3.9
175.47331	2.1
179.10701	2.2
179.14362	3.1
193.12419	2.3
195.13905	19.6
197.11844	7.6
199.36491	1.8
205.12347	13.9
205.13977	1.6
205.16000	2.3
211.13417	3.0
221.15475	11.8
223.13396	100.0
225.15182	2.1
231.13870	9.9
235.08125	1.7
249.14958	66.5
253.09262	9.0
276.30087	2.0
291.19638	3.9
309.20792	7.8
330.60828	1.8
441.21225	2.8
459.22278	12.7
463.06131	1.9
468.04013	1.7
485.23575	12.7
633.18323	1.8
673.35822	17.5
691.37128	37.3
751.40839	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	751.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44318	0.8
55.01848	0.9
59.01383	4.3
69.03461	1.1
71.01386	3.8
71.05045	1.1
89.02430	2.0
99.86816	1.0
101.02409	3.4
101.73904	0.9
109.06522	1.0
111.08133	12.3
113.02428	2.0
116.92845	1.3
119.03471	1.3
145.04991	0.9
151.11357	0.9
153.12822	1.0
159.23801	0.9
161.04617	1.1
167.10780	5.9
169.12309	5.6
177.12921	1.4
179.14406	7.2
181.12355	1.2
195.13876	16.3
197.11839	51.2
205.12331	13.8
211.13419	9.0
223.13393	100.0
235.08086	4.4
253.09348	12.9
263.20105	4.7
291.19708	11.7
294.93097	0.9
295.87900	0.9
309.20746	40.9
355.19296	1.0
459.22418	23.7
486.83371	1.2
515.34143	1.7
527.28625	1.5
545.29413	5.7
673.38513	1.2
751.42798	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	751.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34299	0.6
59.01391	5.9
69.03449	0.8
71.01375	1.5
71.05032	0.9
73.02936	0.8
89.02440	3.4
101.02434	6.5
111.08153	12.2
113.02440	1.4
117.24764	0.7
119.03461	0.8
153.12846	1.0
161.04543	1.7
161.13251	0.8
167.10747	5.1
169.12320	6.5
177.12794	0.8
179.10713	1.4
179.14383	4.6
181.12399	1.0
195.13922	18.9
197.11836	61.1
199.13361	3.3
205.12331	14.4
211.13440	8.7
215.03204	0.6
223.13405	100.0
225.14722	0.8
235.08179	4.0
249.15005	1.0
253.09328	12.3
263.20114	1.6
265.18088	1.5
291.19708	12.2
309.20715	45.2
335.55438	0.8
441.21597	1.0
459.22403	20.5
515.33453	1.0
527.28577	3.1
540.96741	0.7
545.29651	7.9
574.68030	0.8
639.33716	0.9
751.42828	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
57.27830	0.9
57.76181	0.8
59.01385	16.4
62.00191	0.9
68.95391	0.8
69.51669	0.9
71.01396	2.1
71.05034	0.9
88.98805	1.4
89.02434	3.6
101.02441	4.7
119.03470	1.3
125.02449	1.3
143.86595	0.9
161.04562	1.6
167.10774	4.4
179.10876	0.9
179.14415	4.9
195.13901	16.8
205.12346	11.4
223.13399	100.0
246.77151	0.9
249.18570	54.1
249.53214	1.0
253.09251	5.8
334.52216	0.9
441.21719	2.2
459.22403	21.9
483.90863	1.0
536.41992	1.1
601.16827	1.3
613.93726	1.1
620.91748	1.3
691.29639	1.8
691.40790	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	751.429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73249	1.4
53.02462	1.4
58.56505	1.5
59.01196	1.1
59.01387	17.6
71.01353	1.9
71.15130	1.6
73.89152	1.4
89.02441	1.9
101.02417	2.4
127.77782	1.7
167.10765	6.9
179.14384	3.7
191.36354	1.8
195.13934	21.0
205.12350	16.6
223.13402	100.0
249.18626	56.8
253.09334	3.1
264.37964	1.9
276.84872	1.7
441.21411	3.5
459.22491	23.3
691.40656	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42334	1.6
61.98834	64.3
67.08665	1.4
78.95879	2.4
86.88315	1.6
125.02430	20.2
152.99684	1.5
155.35831	1.9
166.57426	1.4
171.10272	11.7
223.16838	1.8
233.29286	1.5
255.23224	8.7
313.23834	7.5
331.22784	15.2
362.82193	1.7
366.88470	1.8
375.21811	83.1
393.22461	1.8
399.50266	1.9
407.32391	1.9
452.31442	1.8
689.46478	100.0
752.39905	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	753.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12125	0.5
56.21945	0.4
56.23908	0.4
70.02982	0.8
74.02471	2.9
75.32488	0.4
89.81884	0.4
92.20147	1.3
110.55176	0.5
116.03526	1.8
122.93669	0.5
130.60403	0.5
151.00381	5.2
167.68872	0.4
178.99825	3.8
203.08287	7.2
245.09306	8.6
254.02104	0.5
255.03000	3.1
271.02490	7.3
272.03354	0.5
273.04083	0.6
283.02478	0.7
289.08316	0.5
300.02762	100.0
301.03540	36.1
332.59830	0.5
463.08868	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70147	0.5
70.99554	0.6
74.02480	2.7
84.73368	0.6
116.03513	1.3
151.00359	5.0
178.99893	4.1
203.08235	7.7
245.09317	7.5
254.02338	0.8
255.02954	3.9
271.02420	5.4
300.02759	100.0
301.03540	37.4
340.91641	0.7
343.54227	0.6
346.48767	0.6
382.56189	0.7
463.08862	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17038	0.9
92.20092	1.8
104.06890	0.8
109.02953	0.8
110.13131	0.8
121.02958	1.4
122.03743	6.2
123.04513	1.6
125.02443	1.3
125.29025	0.9
133.02924	5.8
134.03709	4.5
134.69540	0.9
135.04488	1.0
137.02429	4.2
145.02977	3.6
146.03778	1.6
147.04494	1.9
149.02435	7.6
149.06084	9.7
150.03218	59.9
151.03938	3.6
155.62151	0.8
161.06062	1.6
162.03218	1.5
164.04781	5.9
165.01904	10.3
165.05563	100.0
179.03545	1.4
179.07152	3.3
180.04231	6.3
195.06651	16.4
205.04980	1.1
314.07928	1.7
329.10242	3.9
329.13913	1.4
346.14246	1.3
347.15005	4.4
360.15805	0.8
361.16571	15.5
439.60205	0.8
509.21622	9.8
539.22656	3.2
557.23889	10.2
611.24908	1.9
657.27502	1.6
687.28021	4.4
705.29297	12.0
717.29156	1.4
735.30798	9.4
753.31665	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87085	1.1
59.01380	4.9
68.47694	1.2
69.03448	2.0
71.01381	1.9
87.00866	9.7
92.20103	3.2
101.02428	5.6
107.44122	1.2
113.02422	1.7
125.09749	1.6
151.11273	2.9
153.12842	1.3
161.04568	1.6
161.09750	1.6
179.10742	7.5
195.13922	12.1
196.14673	1.6
197.11826	63.7
209.11827	2.0
211.13358	1.4
223.13307	8.5
225.11079	1.7
226.05278	1.2
241.10841	2.3
275.20203	5.9
293.21225	26.2
385.44196	1.5
457.74506	1.3
600.70575	1.4
753.40881	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	754.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05603	0.5
53.49758	0.5
53.53944	0.5
57.41440	0.5
61.98837	100.0
74.14729	0.6
144.61159	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	754.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98837	100.0
96.47321	0.4
125.02444	0.7
126.81583	0.5
138.11870	0.5
144.80183	0.6
184.91609	0.5
223.13458	2.1
224.13792	1.9
225.13724	0.4
249.18547	0.6
250.18988	0.6
694.42511	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	755.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82744	0.9
61.75049	1.1
83.01398	1.3
93.03463	1.5
109.02917	2.1
121.02922	1.3
123.04498	2.5
124.01656	5.1
125.02460	14.8
133.02931	4.8
137.02449	27.7
139.04016	8.6
151.04044	1.4
152.01137	8.1
161.05984	1.5
163.00372	4.1
164.01163	100.0
165.01941	24.7
167.03503	47.0
175.03848	1.7
176.01247	1.9
177.01949	7.9
185.06076	2.6
199.07709	1.4
202.99841	1.7
203.07094	5.1
211.02469	7.8
228.04337	1.9
229.04948	1.8
243.03008	1.5
243.06693	1.6
253.05055	2.7
257.04599	5.2
271.03299	2.2
271.06104	28.0
285.04016	9.3
407.07745	7.6
417.09787	2.1
436.07874	1.8
439.10529	2.1
543.12994	42.7
671.11334	1.4
755.16248	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2056
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.53051	0.3
59.96250	0.4
69.77299	0.4
70.24847	0.4
70.70009	0.4
72.19338	0.4
81.88328	0.4
115.00308	0.4
125.02505	0.8
133.01418	2.2
145.02928	0.5
151.00352	1.8
163.00450	0.5
198.40131	0.4
198.75356	0.5
227.03534	1.0
229.05063	1.7
255.03023	7.2
256.03745	0.9
257.04510	2.1
281.04694	0.5
283.02490	53.3
284.03278	47.7
285.04062	100.0
297.03955	0.7
298.04688	0.9
327.05096	2.6
437.89746	0.6
446.08447	4.8
593.15179	56.3
755.20618	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32499	0.3
71.01382	7.3
103.40880	0.3
110.41361	0.3
113.33118	0.3
114.75159	0.3
115.00358	4.9
119.05016	24.6
122.17889	0.3
125.02431	0.5
130.67740	0.3
133.01402	0.3
145.02953	2.0
149.67488	0.3
163.04013	100.0
199.03520	0.3
279.05099	17.7
290.07251	0.4
339.10831	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	755.4158
Annotation	Potanidine A
Peak:m/z	Relative Intensity
55.95129	14.7
61.54684	12.3
74.96413	13.0
76.95358	13.5
77.16554	13.0
82.36801	12.0
112.82268	19.7
199.98228	15.5
238.38567	15.6
755.41577	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	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73679	3.2
59.01381	7.7
67.41005	4.2
68.90532	4.4
77.83209	3.6
106.44955	3.9
169.12332	100.0
171.10262	23.0
245.44250	4.4
273.20444	4.1
275.17184	3.5
277.21814	49.3
347.39481	3.9
405.21161	6.7
594.18945	4.7
709.42047	21.9
711.43347	5.6
727.42816	4.9
755.42761	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
81.03454	5.4
83.01409	2.4
85.02942	2.1
99.04520	11.6
101.02447	26.6
112.58807	1.2
115.04012	13.9
122.03719	2.1
125.28857	1.5
127.72659	1.3
131.03505	5.0
137.02458	3.2
137.48515	1.3
142.39175	1.4
149.84541	1.6
153.12823	9.1
165.01923	8.2
175.14893	6.5
181.12350	3.3
185.71013	1.6
193.16013	3.4
209.15515	2.4
219.14049	1.8
220.58533	1.4
237.15042	18.3
247.89592	1.7
255.16090	10.5
261.76495	1.5
273.17096	100.0
274.17480	2.4
295.75461	1.4
390.25287	1.5
406.06140	1.5
755.36578	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	756.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	94.8
72.99302	28.9
101.97523	1.2
162.09248	20.5
165.01872	2.0
165.88547	1.2
177.09195	1.7
190.08766	20.5
205.81480	1.2
208.09793	100.0
250.88156	1.2
255.13881	1.9
281.15399	6.1
325.14377	13.7
343.15463	5.3
427.17688	4.6
534.24994	28.9
594.27185	18.0
636.28534	8.7
696.30396	20.8
731.20575	1.3
756.35486	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	756.3258
Annotation	Conoideocrellide A
Peak:m/z	Relative Intensity
56.64714	1.5
59.01386	100.0
72.99310	31.2
73.52316	1.6
75.76462	1.6
92.20040	1.7
97.18075	1.8
99.26471	1.8
114.23152	1.4
125.02451	2.6
137.02443	2.3
162.09277	20.5
165.01953	6.8
190.08755	17.5
208.09818	95.8
240.27568	1.7
255.13867	1.9
281.15424	2.8
325.14404	13.5
343.15594	7.3
369.55014	1.7
427.17319	2.5
534.25085	32.9
594.27045	17.8
636.28076	7.5
696.30414	19.4
756.36768	17.1
778.61444	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	757.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37374	0.4
68.79507	0.5
71.01380	13.2
83.86053	0.6
115.00375	6.4
117.03435	0.7
122.46015	0.5
133.01439	1.1
134.03746	31.1
149.06084	9.0
178.02684	4.8
193.05075	100.0
244.22504	0.6
255.03041	1.2
255.17384	0.6
270.19327	0.6
284.03174	5.5
309.06198	9.9
376.01706	0.6
377.31790	0.7
447.09155	2.4
715.52765	0.6
763.95758	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	757.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04447	1.1
59.01371	2.0
63.77974	1.0
65.40049	1.1
74.10094	1.1
131.28311	1.2
163.00380	2.5
165.99075	13.5
170.70892	1.2
181.01433	15.0
199.02484	1.3
216.42296	1.2
389.02838	6.2
404.05383	22.6
416.01138	1.3
419.07788	51.1
425.06628	2.0
431.04001	1.5
505.05548	4.8
519.07056	10.6
531.07886	1.7
533.05182	22.0
534.06702	1.2
547.06744	4.2
548.07538	78.9
549.08374	14.4
550.71478	1.4
561.08142	1.9
563.09882	34.1
577.10931	1.7
595.12549	62.0
614.56818	1.3
757.17853	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	757.1848
Annotation	Quercetin 3-sambubioside-7-glucoside
Peak:m/z	Relative Intensity
59.49594	0.5
81.07426	0.5
131.71667	0.6
151.00345	3.5
158.54814	0.5
173.04459	0.7
178.99814	1.1
267.55096	0.5
271.02448	6.8
299.01987	100.0
300.02771	33.2
300.06226	1.1
301.03546	48.9
343.04477	0.6
462.08063	13.0
492.03873	0.6
595.13062	9.9
757.18475	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59850	0.6
59.01385	63.2
71.09341	0.6
121.02965	7.8
132.64688	0.8
144.44507	0.7
185.11838	100.0
345.33490	0.7
549.07263	0.8
715.17499	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	757.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76771	1.0
58.27773	1.1
63.72478	1.2
65.47478	0.9
69.03449	1.4
75.08052	1.3
77.74149	1.0
92.19452	2.4
97.02956	8.4
137.06070	1.7
138.28087	1.0
160.53546	1.1
160.54826	1.2
162.74332	1.0
169.25397	1.0
175.11281	5.2
189.12883	15.3
191.14384	5.7
201.12837	7.4
201.48163	1.1
203.10750	6.5
204.11620	1.4
208.65620	1.1
219.13916	87.6
228.66263	1.0
238.30972	1.0
263.12894	100.0
348.44855	1.1
461.55948	1.0
540.79285	1.3
734.71130	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	757.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85113	1.3
59.01385	12.1
62.05744	1.3
65.32735	1.8
71.01326	1.4
76.93684	1.3
87.46034	1.3
110.20680	1.4
179.14401	2.4
195.13937	6.7
205.12389	6.3
223.13406	38.3
248.10432	1.5
253.09113	2.3
255.23293	100.0
427.86615	1.5
441.21597	1.8
459.22290	2.6
491.31937	2.3
535.38092	1.9
617.85712	1.5
643.49274	1.8
644.94635	1.5
697.45538	29.0
783.55969	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	759.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56954	0.4
67.03786	0.5
73.55288	0.4
81.39925	0.4
108.03396	0.5
115.00363	0.8
119.05038	1.6
133.01413	3.4
137.02501	0.5
151.00365	1.8
156.54826	0.4
163.04025	1.9
178.99852	2.3
193.05090	0.6
270.01727	2.0
271.02518	4.7
287.02051	2.5
288.02811	0.5
316.02258	100.0
317.03024	11.5
479.08337	66.3
546.07672	0.5
668.79883	0.5
751.18518	0.5
766.91156	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	759.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92264	0.6
57.75760	0.7
62.04082	0.8
63.57988	0.9
71.01377	3.5
89.02481	0.9
91.36695	0.9
92.20033	1.1
94.61456	0.9
114.68756	0.8
115.00357	13.2
121.56783	0.9
122.36627	0.8
133.01430	78.6
135.04518	12.0
151.00392	6.0
163.03979	1.6
174.03235	1.4
175.62679	0.9
177.05585	1.0
178.99858	4.4
179.03511	26.8
185.36649	0.9
192.04268	3.9
207.06612	8.4
220.34543	1.0
241.14569	0.8
255.02994	3.4
271.02533	7.2
282.14340	1.0
295.04581	16.2
300.02756	100.0
301.03549	37.4
397.15335	1.0
463.08890	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07528	3.6
61.98832	16.6
65.97437	3.8
70.73202	3.8
88.98789	28.4
96.96011	4.3
99.00876	6.1
123.04539	23.7
136.92755	4.4
137.06093	5.8
165.33401	5.9
207.06583	9.1
243.06644	5.6
244.07384	38.0
257.08197	7.3
258.08920	33.6
259.09717	35.8
271.09793	5.9
290.08020	7.6
298.08435	29.6
330.07513	5.9
509.18246	5.9
549.17548	29.0
581.16626	100.0
759.23346	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	759.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78734	0.7
79.07803	0.7
80.05067	3.0
86.30243	0.7
90.07923	0.8
121.05298	1.0
122.06142	8.0
124.03976	1.5
124.07670	1.5
125.02464	3.2
132.04524	3.9
133.99542	0.8
134.06073	1.1
148.04074	12.4
150.05603	18.4
160.01990	0.8
161.04776	1.4
173.04549	1.5
175.42352	0.8
176.03511	1.6
177.01859	3.3
178.05096	5.3
184.06123	4.4
192.03014	15.7
194.04587	25.3
200.07196	4.0
204.05435	0.8
212.10780	5.0
224.65538	0.9
229.13377	1.2
230.11885	8.1
231.11446	6.8
255.11398	20.5
260.45236	0.8
273.12402	9.9
299.10370	3.5
317.11252	1.3
343.09283	4.0
361.10397	1.4
361.86761	0.8
379.11490	100.0
467.12341	0.9
469.17346	0.9
487.60349	0.8
729.95190	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	759.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29524	0.5
58.76708	0.6
59.01382	10.0
69.64864	0.7
72.08833	0.8
76.03148	0.7
87.61451	0.7
121.02951	100.0
145.42479	0.7
147.04526	55.3
152.99658	0.7
424.85977	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	759.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14079	0.8
56.30148	0.7
59.01385	82.6
59.67458	0.8
72.99295	3.5
84.93817	0.8
92.20049	1.2
96.07806	0.8
119.05031	7.5
147.04529	41.7
165.05566	100.0
183.69591	0.8
196.62213	0.9
207.06424	1.1
399.80029	0.9
413.02484	0.9
442.89661	0.9
657.29504	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	759.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18880	18.6
63.85234	20.0
71.01407	24.6
71.85636	21.5
73.86786	20.3
76.12850	18.0
85.10248	20.9
92.19434	59.0
113.03689	21.3
121.02985	23.7
156.21179	20.9
282.88840	23.7
759.33350	100.0
775.14484	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19500	0.4
57.43435	0.3
69.44836	0.4
69.48848	0.3
71.05031	0.6
97.06605	6.7
106.63969	0.4
113.64904	0.5
153.83046	0.5
165.05591	0.7
165.12955	1.4
191.14468	8.8
202.83456	0.5
205.57793	0.5
219.13916	4.2
221.15477	100.0
237.14960	8.3
239.16568	3.1
265.14465	91.5
361.16769	1.1
481.15598	0.5
493.21069	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	760.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
93.00423	9.4
93.01626	9.1
121.02949	100.0
122.03314	20.3
125.02459	11.3
191.80403	11.1
472.84174	11.0
501.77594	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	760.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46415	36.4
55.20012	39.4
56.36999	37.2
60.63274	42.7
65.30871	42.8
70.28059	42.0
70.47172	43.0
71.07902	40.9
85.03416	46.4
107.01438	46.6
125.02423	100.0
198.32649	45.4
352.42429	52.3
488.49429	50.1
623.99554	48.1
677.80853	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45883	0.9
58.15058	0.8
58.49739	0.9
60.22843	0.9
61.25451	0.8
61.98838	8.0
92.68375	1.1
93.03455	2.2
133.02974	1.8
149.02397	2.0
177.01939	100.0
193.86040	1.2
231.15274	1.2
269.21176	5.7
275.06458	1.2
285.20709	12.0
287.22250	1.8
302.56802	1.1
447.05142	1.1
447.23810	2.1
454.93695	1.1
541.05255	1.1
709.16119	1.1
733.45496	52.3
760.46387	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	761.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
73.86886	1.5
76.45708	1.5
85.05927	1.4
98.00107	2.3
137.38011	1.5
151.34248	1.7
161.06029	2.9
162.06870	83.6
170.14517	1.4
175.07613	7.3
177.09158	10.6
184.38246	1.5
221.08270	6.7
232.64883	1.6
235.06084	8.8
261.29559	1.5
265.07187	100.0
371.42731	1.6
689.38403	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	761.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	81.6
61.98842	3.8
67.53633	0.9
75.60036	0.8
78.95894	1.1
121.02954	100.0
134.65739	0.9
138.76109	0.9
147.04501	1.0
152.31667	1.0
156.89513	1.0
195.14014	1.1
214.11629	0.9
233.25665	1.0
255.23308	6.1
295.23264	1.0
313.23843	1.2
461.20050	0.9
526.13739	1.0
601.96783	1.1
731.63519	1.0
761.50671	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	761.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
92.88969	0.3
119.65226	0.3
125.02439	0.5
133.01392	0.6
137.02501	0.4
149.06082	0.4
157.52014	0.3
160.95119	0.2
165.01962	0.6
181.08711	100.0
192.61394	0.3
193.05049	2.1
196.69193	0.3
201.27211	0.3
343.13986	31.6
355.10510	1.0
361.55011	0.3
384.28036	0.4
399.78812	0.3
520.86829	0.3
522.95746	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	761.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82024	0.5
57.17335	0.5
59.01372	0.9
63.96267	0.5
67.63699	0.5
71.01375	4.8
73.02949	1.1
78.98598	4.8
79.95744	4.7
80.96517	53.3
81.03449	2.4
85.02938	2.7
87.00864	1.3
94.97520	0.8
94.98080	15.9
96.96014	0.7
97.02929	2.6
101.02429	3.6
106.98070	2.9
122.97575	4.6
125.02425	6.9
127.03941	0.9
134.97595	5.7
136.99153	2.3
148.99115	8.5
149.06480	0.5
152.98615	9.3
164.98624	20.4
167.00131	1.2
206.99698	4.9
223.13356	1.2
225.00740	37.1
255.23199	3.4
283.04855	0.6
370.91229	0.5
428.76740	0.5
505.17523	3.8
513.48041	0.7
537.27472	2.1
544.88013	0.6
562.49133	0.6
714.12573	0.6
761.41614	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	761.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68377	0.3
71.26486	0.3
92.19432	0.4
93.03483	2.7
100.82470	0.4
105.03436	0.5
121.02966	1.6
123.04529	1.2
127.39729	0.3
132.02129	1.2
133.02962	3.9
149.02458	4.7
151.03996	0.7
162.74959	0.3
171.10222	0.3
177.01933	100.0
195.03006	0.4
221.82047	0.4
269.21219	5.3
287.22424	0.5
295.22833	1.1
313.23862	7.0
318.26645	0.3
325.52771	0.3
361.23865	0.4
374.38419	0.3
429.22678	2.3
447.23932	1.5
627.33679	0.3
761.48627	53.6
775.14972	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	761.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32559	1.7
57.61678	1.9
59.01383	100.0
85.02937	19.1
94.17656	2.5
99.08134	9.1
167.10693	3.6
176.78410	2.2
185.11844	39.2
203.12891	79.9
221.43880	1.9
245.13948	4.0
371.24344	4.7
389.25598	8.8
557.36945	11.2
575.38129	25.3
761.50482	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30071	0.5
59.01381	5.0
61.98835	100.0
78.81080	0.6
80.96494	0.7
135.55405	0.7
153.40889	0.7
165.05537	4.2
166.05957	1.2
192.66675	0.8
218.72757	0.7
279.47678	0.8
419.20441	0.7
762.43268	0.8
782.09564	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	762.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
66.83764	0.2
72.99302	0.3
74.11409	0.2
78.74055	0.2
98.71454	0.2
121.02953	100.0
151.60968	0.2
158.93709	0.2
208.09789	1.5
768.09174	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	762.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
79.33543	0.2
121.02950	100.0
135.68848	0.2
161.75784	0.2
293.79535	0.3
398.15683	0.3
424.55258	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	762.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98852	0.5
74.84614	0.4
80.96527	0.5
98.35838	0.4
116.22060	0.4
121.02953	100.0
125.02430	0.4
208.10001	0.5
252.25800	0.5
252.76347	0.5
294.52979	0.5
373.23019	0.5
374.21964	0.4
574.65692	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	762.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.95219	0.2
61.98822	0.3
63.62939	0.2
72.99268	0.2
78.74397	0.3
103.55234	0.2
108.67068	0.2
121.02950	100.0
131.00916	0.2
172.05998	0.3
208.09818	1.4
433.65256	0.3
472.81973	0.2
506.36191	0.3
616.82751	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	763.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.5
71.01355	8.9
78.84318	1.6
88.19148	1.8
89.02419	11.1
98.06961	1.8
101.02451	4.2
109.02919	9.4
113.02470	2.4
123.04511	2.2
125.02411	3.5
131.96136	1.9
134.03714	2.9
135.04573	3.0
137.02390	8.0
139.03996	2.9
140.08252	2.2
151.04008	1.9
165.01950	21.8
191.07115	2.8
219.13808	1.9
241.14404	2.1
245.08105	4.2
257.04474	3.8
263.12793	6.9
264.13193	2.6
269.04526	2.7
271.05994	10.4
283.02399	4.4
285.03998	3.5
289.07150	9.3
296.03119	4.6
297.03802	2.6
299.02002	20.7
300.02792	2.7
311.05597	3.1
312.02679	2.3
313.03439	8.7
313.07092	13.7
314.04337	27.3
315.05154	19.8
326.88147	2.3
329.06522	4.1
400.05969	6.7
415.07950	12.5
417.06177	2.8
419.07724	2.9
467.15729	2.0
491.12241	20.6
601.13275	4.2
627.16870	26.8
653.15070	2.3
763.18536	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	763.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
59.41372	0.3
71.01385	0.4
93.84709	0.3
96.95960	0.3
119.45751	0.2
123.04518	23.8
153.05571	100.0
245.27884	0.2
293.08844	0.4
315.10880	8.1
348.63806	0.2
426.36118	0.3
447.15115	29.9
612.38300	0.3
772.69995	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	765.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49767	0.3
59.01370	0.3
66.29517	0.3
71.01388	1.4
89.02431	0.7
96.85706	0.3
97.02967	0.4
109.02921	2.1
121.02921	0.4
122.03798	0.5
123.04499	0.5
125.02432	2.0
125.55077	0.3
131.03487	0.3
137.02472	0.6
149.02403	0.5
151.03989	1.1
158.46860	0.3
161.06046	0.5
165.01933	0.4
179.03450	1.2
181.08702	100.0
182.35417	0.3
187.04036	0.4
203.07124	2.4
205.05099	0.6
245.08168	2.6
271.06262	0.3
289.07193	6.7
293.08813	2.2
297.40607	0.4
474.62964	0.3
475.18237	33.8
617.73450	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	765.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.4
60.28603	0.4
63.27414	0.4
67.19609	0.4
71.01373	3.4
73.02960	0.5
81.03481	0.4
87.69893	0.4
89.02433	6.1
89.40670	0.4
92.84885	0.4
97.02943	1.6
99.00856	0.8
99.52803	0.4
101.02453	1.6
109.02948	2.6
115.00385	0.4
122.03706	0.7
123.04489	0.8
125.02460	4.6
137.02475	1.6
149.02469	0.7
151.04041	1.5
161.57626	0.4
167.03523	0.9
169.46802	0.4
179.03517	0.9
181.08713	100.0
187.04059	0.5
203.07112	0.9
205.05043	1.8
209.04562	0.9
221.08223	0.4
233.06732	0.8
245.08147	2.9
247.74600	0.5
289.07187	7.8
293.08786	6.9
331.08179	0.6
336.45700	0.5
475.18237	46.7
776.09149	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	765.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
59.01384	100.0
63.62412	0.8
66.50461	0.7
71.01393	1.1
72.42630	0.9
79.57259	0.8
89.02461	1.0
92.20069	1.7
122.97565	0.9
137.09755	4.7
151.45541	0.9
162.03177	1.0
164.02721	0.8
177.05579	2.1
181.08707	3.4
183.08766	0.8
195.06630	1.0
197.11847	83.8
241.10820	75.3
333.61841	0.9
472.44168	0.9
523.21600	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	765.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88622	1.0
54.46601	0.7
59.01410	1.3
60.99316	11.5
70.42464	1.0
77.58658	1.2
87.00841	1.1
87.42930	0.9
88.00399	5.4
88.62989	0.9
88.98806	100.0
89.02442	13.7
90.64723	1.1
159.48380	1.0
266.14868	1.0
501.37097	1.3
563.77319	1.1
720.54053	1.1
776.65259	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	766.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44664	1.1
61.98837	100.0
65.63228	1.3
75.22980	1.3
93.90062	1.7
107.35372	1.4
194.00237	1.3
201.81197	1.4
212.39851	1.5
282.75229	1.4
366.30344	1.5
623.81427	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	766.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10719	3.8
56.21749	3.4
56.56189	4.1
59.01377	20.0
59.70687	3.5
72.99316	39.6
86.09057	3.8
89.56639	4.2
113.02454	5.1
115.04066	4.6
119.05029	16.2
120.04589	6.3
121.02955	28.9
127.03959	4.7
138.50290	3.7
204.06660	6.9
204.89758	3.8
210.09190	8.3
219.14040	7.3
221.15416	7.1
222.07516	5.6
238.08838	27.9
247.13440	16.7
266.08255	7.0
271.04074	4.0
284.09311	100.0
326.10461	8.4
338.56580	4.0
343.15527	7.9
361.16516	9.1
379.17294	6.5
421.18637	7.3
457.20883	59.5
499.22391	4.6
576.05273	4.1
724.30133	33.8
766.31293	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	767.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02820	2.1
62.13453	2.6
71.01427	2.3
99.19261	2.4
101.27325	2.2
109.02993	3.9
113.61198	2.9
118.85229	2.6
123.04506	3.1
125.02452	31.6
134.13148	2.5
135.02972	4.4
137.02477	23.0
139.03999	5.1
151.04010	4.7
161.02480	14.4
163.00404	47.8
164.01146	4.4
165.01938	20.5
175.00333	2.5
177.01959	37.9
179.03508	10.2
189.01901	3.0
202.99875	3.3
205.01408	5.0
209.00899	5.2
215.03438	5.3
217.01404	4.1
217.05173	3.4
227.03557	2.7
229.05083	3.8
239.03442	4.0
241.05002	3.8
243.03011	5.2
245.08098	4.0
253.04991	3.3
255.02893	5.0
257.04553	12.2
267.02982	15.8
268.03806	2.9
269.04514	31.3
270.05334	15.6
271.06155	3.7
281.04547	12.3
283.02451	29.0
285.03979	3.4
289.07178	11.2
295.02402	14.8
296.03326	10.9
297.04123	17.4
299.01834	4.0
311.02185	4.4
312.02969	10.3
313.03595	9.8
325.03528	3.7
327.05029	3.3
341.03119	6.3
407.07733	3.7
419.07666	12.0
421.09357	13.2
423.07559	3.4
425.08914	4.4
447.07199	11.5
463.06717	57.3
464.07813	3.6
465.08453	30.8
479.06281	11.8
481.07626	4.8
492.06989	3.4
493.07730	14.0
593.13165	11.6
606.94086	2.8
628.68848	2.7
631.11060	100.0
749.13647	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	767.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40805	1.0
59.01376	1.5
71.01377	1.1
72.93186	0.9
83.01381	2.1
89.02464	1.4
96.35183	0.9
97.02930	4.8
97.76246	1.0
108.02198	1.2
109.02319	1.3
109.02908	9.7
118.08018	1.4
121.02908	2.0
122.03709	2.3
122.81893	1.0
123.04521	10.3
125.02429	10.9
128.47296	1.0
137.02457	9.2
138.03351	1.2
139.04024	4.0
145.02988	1.3
149.02425	9.4
149.06032	1.7
151.04004	5.6
159.04504	1.2
161.02443	2.4
161.06097	5.2
162.03250	1.3
163.04073	1.2
165.01897	7.1
167.07123	5.1
175.03993	5.9
177.01929	1.4
179.03513	5.7
187.04002	4.3
188.04680	1.8
193.08682	4.3
201.05574	2.2
202.06386	2.1
203.07202	12.4
205.05038	16.4
219.10239	5.2
221.08183	1.7
229.05110	1.4
230.05794	1.7
231.02986	2.4
245.08228	18.4
247.06152	9.2
255.06358	1.3
259.06015	2.2
285.07639	1.7
285.11331	1.6
287.09265	1.3
287.12387	1.3
289.07190	25.9
297.11295	1.2
301.07294	1.3
310.08417	1.7
311.09207	2.5
312.10083	12.4
313.10870	2.3
325.10776	1.6
325.14450	2.1
326.11304	1.3
327.08640	1.6
327.12204	11.7
336.09903	1.2
341.10214	1.7
341.13968	1.9
343.15573	2.1
369.13339	1.5
486.22781	1.5
493.15103	1.8
567.12213	1.2
615.21027	5.7
617.20380	11.7
739.52136	1.2
767.25714	100.0
782.65375	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	767.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16111	4.9
62.29062	4.3
109.02953	24.9
123.04518	19.1
125.02414	35.3
151.03984	12.0
161.02428	26.2
163.03989	24.3
167.07184	6.8
205.05090	6.0
212.92064	5.1
270.05246	7.8
285.07739	27.7
311.05444	5.9
324.06320	5.7
325.07178	7.1
363.59067	5.1
367.34558	6.8
375.42392	6.2
449.12482	100.0
515.20801	5.7
599.17871	28.0
649.92999	5.9
745.85681	5.3
767.25250	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58355	1.6
68.65775	1.6
68.68979	1.6
72.36337	1.5
76.53062	1.7
77.78464	1.7
83.74806	1.7
89.02432	1.6
90.60904	1.8
92.19420	2.4
97.02937	1.9
108.02131	1.8
109.02938	12.1
121.02879	2.3
123.04552	7.0
125.02413	11.8
137.02489	12.7
139.03970	2.9
145.04720	1.8
149.02434	10.0
151.03966	6.9
152.16763	1.8
161.02472	6.5
161.06082	4.1
163.03979	2.4
165.01930	9.4
165.37106	1.9
167.03406	1.8
167.07101	2.0
175.03952	3.4
179.03476	4.2
187.04016	4.0
188.04860	3.0
193.08717	4.2
203.07132	16.4
205.05069	19.4
215.07240	2.2
219.10260	2.3
221.08163	2.2
223.36903	1.9
227.07207	2.5
228.04480	2.4
229.04927	2.2
231.03058	4.2
245.08177	26.4
247.06114	8.4
259.06036	2.5
271.06104	2.2
289.07159	25.4
310.08295	2.7
312.10172	14.0
313.10626	2.6
327.12460	8.1
341.14008	2.4
343.11423	1.9
343.15439	1.8
369.13388	2.4
382.04120	1.8
396.64392	1.8
397.58307	1.6
493.15256	2.6
615.20874	8.0
617.20435	16.7
767.25739	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	767.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
60.57516	1.4
66.22180	1.3
72.25486	1.4
81.80054	1.4
83.01402	1.6
92.91233	1.7
97.02919	2.6
109.02941	12.6
122.03674	2.2
123.04527	11.2
125.02454	17.3
127.30376	1.4
137.02449	13.1
149.02458	10.7
151.04021	8.0
159.04510	1.9
161.02466	6.0
161.06073	3.5
164.01151	2.1
165.01938	7.7
167.07095	7.1
175.03986	2.9
179.03500	9.9
187.04027	1.7
188.04779	2.6
193.08730	6.9
201.05609	1.5
202.06354	2.0
203.07152	16.3
205.05058	17.2
219.10243	2.5
227.07266	2.6
229.05052	1.7
231.03014	2.5
245.08173	29.2
247.06049	9.1
271.06229	2.6
289.07193	43.1
290.56485	1.5
295.10031	2.3
296.10580	2.6
310.08417	2.2
311.09235	8.3
312.10107	22.3
313.10800	1.6
325.10501	1.5
327.12436	18.3
338.11697	1.5
341.14142	2.1
343.15656	1.7
347.93588	1.6
367.15591	2.0
369.13376	3.0
493.15552	1.5
615.20215	2.0
628.03143	1.7
767.25769	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	767.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	3.8
70.02975	8.1
71.92662	0.5
72.04559	0.8
74.02473	37.6
78.20327	0.6
88.73943	0.6
98.02478	7.1
116.03524	18.2
116.05039	7.8
142.06671	0.6
144.93245	0.6
159.09256	3.4
166.81894	0.6
183.09294	0.7
186.05586	2.5
186.87891	0.7
201.10353	5.7
203.08278	63.5
245.09317	100.0
269.12134	0.7
281.85202	0.7
289.08261	3.4
524.44751	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	767.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23980	2.8
59.01154	2.9
59.01393	48.9
61.98842	3.8
64.79292	2.8
69.45525	3.4
71.01382	24.0
72.69913	3.0
83.15992	3.0
85.02933	5.0
87.36504	3.7
89.02448	29.0
94.28208	3.5
101.02431	13.9
109.02928	3.3
113.02449	16.4
119.03519	6.2
121.02953	100.0
125.02448	5.7
137.02411	5.2
151.04135	4.0
165.01909	14.6
179.05539	4.2
238.36604	3.6
282.17593	3.9
331.53723	3.5
398.08838	3.6
467.19763	7.9
527.21417	17.4
649.24811	6.6
688.52533	3.7
707.29840	13.3
767.32312	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	767.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.87726	0.6
74.08642	0.6
85.02956	0.6
97.02935	3.9
97.15408	0.5
102.25265	0.6
108.71838	0.6
115.04005	13.6
140.88725	0.5
165.09201	0.6
207.10213	1.0
219.06795	0.7
233.06317	0.6
250.87773	0.8
299.50693	0.6
387.17853	0.7
401.80359	0.7
525.23273	9.5
567.24603	10.2
623.27393	1.0
665.28168	1.0
767.34473	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	767.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84706	0.9
59.01386	100.0
60.38018	0.9
71.11329	1.0
86.43286	1.2
90.37473	1.1
106.06624	0.9
118.49039	1.0
148.87891	1.1
281.21973	1.2
281.25146	1.1
348.51373	1.5
525.23907	2.2
537.71307	1.1
567.24530	6.1
617.83319	1.2
767.48291	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	769.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.92194	3.2
92.61091	3.1
109.02967	7.7
111.04509	12.4
122.75482	3.5
124.01674	12.7
125.02431	15.0
133.02946	4.4
137.02470	36.6
139.04031	55.3
152.01147	7.3
163.00330	21.9
164.01163	100.0
164.02440	3.9
165.01981	31.9
167.03520	63.8
176.01180	4.1
177.01953	26.2
178.02788	4.3
179.03528	41.3
185.06154	4.0
191.03517	5.1
193.04950	3.0
203.07007	3.9
211.02464	14.0
212.63388	3.4
257.04562	4.1
271.06186	31.2
299.05515	5.0
319.08469	7.6
421.09286	6.8
489.10107	3.2
497.10693	25.3
557.14618	62.1
643.14484	4.5
769.17999	53.9
769.31891	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	769.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01391	12.7
65.62869	1.6
66.60084	1.5
69.03483	3.6
71.01397	9.4
73.02961	9.7
81.03455	2.4
82.94677	1.8
83.01421	2.6
85.02948	27.8
87.00878	50.7
87.01366	3.1
88.98806	22.7
95.01393	4.0
97.02939	18.2
103.04018	3.0
109.02975	10.1
111.00906	10.7
113.02435	21.4
115.00375	4.0
123.04590	2.9
125.02437	77.0
127.04002	7.4
131.93767	2.2
137.02443	16.6
139.00409	2.2
149.02493	4.0
151.04041	9.7
157.01472	4.2
161.02411	23.9
161.30682	1.8
163.40076	1.8
165.01933	7.8
173.04492	2.8
175.02469	8.0
175.04037	8.0
177.02034	2.7
179.03526	7.4
187.04051	3.9
191.02032	8.0
191.05650	8.4
194.87839	1.8
202.06493	2.5
203.07150	7.6
205.01486	2.3
205.05147	8.5
217.03584	6.7
227.07254	2.7
229.05103	4.2
245.04549	3.7
245.08205	23.6
255.03064	3.5
255.12347	3.6
273.04105	1.8
281.04620	2.0
285.04092	2.8
287.05652	3.0
289.07224	44.7
339.08795	8.0
407.07715	40.1
425.08878	33.8
433.60580	1.7
451.10245	8.2
554.84198	1.8
577.13574	100.0
653.75470	1.9
709.18341	41.6
769.20300	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	769.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.3
59.01380	29.2
59.73453	1.1
69.03454	2.0
71.01374	8.0
73.02937	23.4
81.03453	2.6
83.01376	1.9
85.02943	40.8
87.00868	100.0
92.33958	1.3
93.03436	5.6
95.01389	15.7
97.02927	2.1
99.00906	1.9
99.04505	2.1
101.02406	1.6
103.03999	8.7
109.02959	5.0
111.00854	3.2
113.02434	17.7
115.00368	15.8
125.02429	6.8
127.04003	13.0
129.01891	2.0
135.04463	1.9
137.02431	5.7
139.00395	10.6
144.05234	1.3
145.05020	2.3
155.03558	2.0
157.01405	7.2
167.03546	1.9
175.02472	15.6
199.02498	11.5
303.07156	12.1
345.08218	6.7
387.09274	11.5
405.10330	11.2
642.39423	1.4
665.15448	2.0
751.20221	13.0
769.20490	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
59.01385	2.5
61.56490	1.2
71.01354	1.2
71.14446	1.1
72.43951	1.2
72.99300	20.1
75.00854	13.6
82.37598	1.2
85.02973	1.8
87.00877	9.3
89.02470	1.5
93.03442	2.4
99.00867	2.6
101.02496	1.3
117.01939	2.3
117.03470	6.7
119.05021	6.8
122.03719	2.8
123.04548	1.5
124.74123	1.2
129.36833	1.2
133.02885	1.4
135.03001	57.3
135.04567	4.9
139.81956	1.2
145.02940	1.4
147.04506	7.0
148.05283	1.5
157.06577	1.9
159.04582	1.5
163.04030	32.6
165.05597	19.1
175.03979	13.2
177.05562	23.2
180.69370	1.3
189.01933	75.5
190.02736	1.9
191.03505	1.7
193.05075	17.5
201.05438	1.9
203.03516	28.5
205.05095	1.7
207.02998	6.3
221.04608	8.6
263.05582	7.9
275.42325	1.2
295.10651	1.6
307.04501	4.4
325.05664	100.0
329.08923	4.9
344.98126	1.3
438.01804	1.4
549.45306	1.3
622.62500	1.4
705.27069	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	769.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.53980	14.7
85.11054	14.0
92.19421	21.5
114.91787	15.1
152.15001	15.4
178.27283	15.4
195.76683	13.8
236.17729	16.4
262.73779	18.7
298.72659	18.0
299.99506	16.9
666.84998	17.9
719.23077	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	769.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25016	9.3
54.90648	10.2
56.59103	9.0
82.12655	13.0
92.20071	22.7
110.92936	11.6
171.10208	18.7
186.68338	11.8
211.13275	40.8
223.13365	65.9
229.14537	37.9
327.21817	89.8
556.54529	13.8
769.33154	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	769.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	89.4
60.81216	2.7
66.87168	3.0
71.01382	15.6
89.02412	6.7
93.34624	3.1
101.02419	3.4
103.04029	41.2
119.03502	3.9
149.08713	3.6
154.82948	3.5
189.61987	3.5
218.87453	3.6
247.08281	5.9
265.09293	100.0
265.25696	3.4
277.00174	3.3
492.37622	3.8
593.22565	3.6
769.35980	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	769.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92244	0.5
58.02978	3.3
59.78308	0.5
70.02982	6.9
72.04559	0.9
74.02475	29.8
79.78833	0.5
95.09882	0.5
98.02482	5.9
116.03529	19.2
116.05046	7.0
130.06599	0.9
137.21606	0.7
142.06612	1.3
150.86749	0.6
159.09291	1.4
160.17340	0.7
176.08713	0.7
186.05627	0.8
201.10345	5.9
203.08290	64.1
206.61324	0.6
245.09320	100.0
287.14923	0.5
289.08392	8.6
303.51385	0.6
350.80789	0.7
478.26703	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	769.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49041	1.4
59.01377	8.3
69.03474	1.6
71.01372	3.5
73.02946	2.4
80.95768	1.8
85.02942	9.2
89.02422	3.6
101.02455	7.1
107.43949	1.9
109.35808	1.5
113.02412	3.1
125.09748	2.0
137.09711	2.7
141.60687	1.5
143.03464	1.6
149.45798	1.7
151.05943	1.6
161.04642	2.2
167.10809	2.5
171.10263	32.7
179.14421	3.0
195.13887	20.7
197.11832	9.8
201.11292	1.5
205.12363	13.4
209.11722	1.8
211.13377	19.8
212.68283	1.8
221.11842	2.6
223.13399	100.0
229.14490	10.9
233.59325	1.8
235.08171	11.1
253.09277	18.2
291.19522	3.4
309.20761	7.6
311.74643	1.6
327.17868	2.0
327.21783	60.7
446.48312	1.8
459.22458	21.9
469.77420	1.8
530.07300	1.8
533.34912	2.7
545.29578	11.9
563.31055	8.2
729.96429	1.8
769.44086	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	770.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
61.98837	100.0
92.19489	1.5
94.69201	0.5
96.95266	0.6
110.45192	0.7
210.29649	0.6
302.22806	0.7
311.41013	0.7
572.16443	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	770.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.95281	0.6
69.15453	0.7
136.81200	1.1
146.79086	0.7
166.02179	0.8
178.69992	0.8
192.10315	26.0
435.97134	0.7
564.25989	1.4
582.27234	4.5
624.28137	1.5
770.35870	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	770.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
62.09638	0.4
68.94575	0.3
69.03465	0.5
71.01407	0.4
72.99300	2.7
75.14854	0.4
85.02955	1.0
97.02943	2.4
97.06607	0.4
98.06104	3.4
99.04516	8.4
109.02922	0.5
111.04497	0.8
119.05014	4.8
121.02950	100.0
123.08112	0.7
133.06572	0.5
133.58852	0.4
144.04512	0.7
149.06070	0.8
165.09184	5.3
175.07698	0.7
176.91595	0.5
177.09267	0.5
179.10747	0.5
188.10770	0.8
191.07091	1.0
191.10849	0.7
200.10823	1.8
215.10812	1.6
216.10291	2.3
225.91345	0.4
229.12274	1.5
232.74324	0.4
233.11766	0.9
244.09738	7.0
256.07721	0.4
262.10840	5.1
271.13495	0.6
289.14511	1.7
313.14334	0.9
319.15524	10.7
327.15927	0.6
343.15607	1.7
361.16550	2.7
373.16470	2.6
377.90594	0.4
403.17706	1.0
525.21423	5.7
706.60785	0.5
740.31061	2.7
770.31891	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08936	1.1
54.42677	1.2
57.07075	1.2
58.21101	1.5
59.01383	100.0
68.86111	1.3
72.04539	2.1
87.83475	1.4
107.44186	1.4
117.03455	2.5
132.08176	2.2
148.07736	6.8
176.07161	5.5
190.08844	13.7
210.04230	1.8
218.08212	21.4
223.13464	5.6
278.10223	2.8
299.28580	1.5
311.16547	12.8
327.21548	1.6
356.06519	1.3
371.18506	3.2
399.15692	1.7
431.21097	1.6
517.22516	2.4
590.27319	1.8
605.28046	1.6
637.26422	2.2
650.30249	3.5
672.19965	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	770.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38860	1.0
58.48358	1.0
59.01385	100.0
87.00874	1.5
89.44627	1.0
162.09244	5.4
165.01869	3.8
190.08760	1.4
208.09711	5.3
243.69963	1.3
247.38380	1.0
270.04120	1.0
299.41464	0.9
474.17740	1.1
710.33679	6.6
770.35242	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	770.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
92.20079	1.9
111.18634	0.7
133.86354	0.7
166.57495	0.8
274.94156	0.8
317.58917	0.7
502.53833	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	770.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68302	0.9
57.94084	0.9
59.01386	100.0
59.92834	0.9
60.36812	0.9
65.65447	0.9
66.22055	0.9
67.38158	1.0
67.68392	0.9
74.91965	1.1
79.05333	1.2
82.22163	0.9
94.19331	0.9
192.10155	1.2
453.16663	1.1
554.63055	1.0
616.28931	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	771.2003
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.83644	0.4
63.85611	0.3
69.62328	0.4
76.02148	0.4
76.82352	0.5
80.01513	0.4
93.57492	0.4
103.01299	0.5
121.02924	0.4
130.04080	0.4
134.94012	0.5
151.00385	3.7
175.00420	0.8
178.99895	3.0
255.02985	1.9
269.39081	0.4
271.02505	6.5
299.01984	100.0
300.02768	34.9
300.06256	0.8
301.03543	40.4
342.04083	0.5
343.04559	1.8
462.08090	14.7
463.08936	0.7
609.14545	8.1
726.10883	0.5
771.20007	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42035	0.3
58.64767	0.2
59.01380	32.1
67.76321	0.3
70.32908	0.3
70.66120	0.2
71.01379	17.8
71.01775	0.6
72.99284	0.3
73.02934	0.6
83.01380	0.5
85.02950	2.4
87.00874	1.2
87.73569	0.2
89.02438	32.5
95.01381	1.2
98.95682	0.2
99.00869	0.4
101.02435	20.1
109.75193	0.2
113.02441	12.0
119.03491	17.4
123.04518	1.3
125.02445	1.0
125.76205	0.3
131.03474	0.6
131.58894	0.3
143.03500	1.2
149.04556	0.6
153.05563	5.4
154.05957	0.4
160.04021	1.1
161.02420	0.3
161.04463	1.3
161.08250	0.4
179.05591	1.2
184.06181	0.3
223.88689	0.3
323.13474	100.0
447.15341	1.5
448.15067	0.4
670.79956	0.3
771.59961	0.3
800.98584	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	771.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04833	0.2
67.45802	0.2
73.02951	0.6
73.33392	0.2
83.94121	0.2
85.00507	0.2
90.32579	0.2
92.19497	0.3
99.92585	3.3
114.93375	0.3
116.92857	100.0
116.97243	1.3
117.01919	1.6
126.48014	0.2
210.01161	0.2
373.35675	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	771.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95438	2.1
55.10997	2.2
59.01390	8.7
66.15668	2.6
69.79944	2.3
80.49300	2.4
101.19057	2.5
120.89706	2.7
122.63635	2.7
162.55917	3.0
183.13841	5.6
211.11577	4.7
211.13422	100.0
249.18623	33.2
253.09180	3.7
258.74402	3.5
391.02887	2.8
430.40317	3.1
447.22202	5.2
449.44061	2.8
558.00299	3.3
679.40906	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	771.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.7
84.53574	0.7
92.19392	0.9
97.06592	31.2
101.02443	0.7
121.06563	0.9
125.02425	1.1
137.02431	1.6
162.45688	0.7
162.59009	1.0
164.42987	0.7
165.01961	6.6
167.75507	0.8
171.01588	0.8
191.10814	16.6
191.14439	0.9
203.07191	1.0
219.13913	90.6
235.13426	7.9
261.11172	1.1
263.12903	100.0
280.17102	0.8
281.13953	1.5
323.15082	2.6
341.05432	1.0
599.48096	0.8
771.35724	9.0
771.48065	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	773.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46391	0.7
59.52854	0.6
59.68769	0.6
66.45008	0.6
68.18616	0.6
71.01388	8.7
78.41296	0.6
85.17921	0.7
105.27632	0.7
115.00375	8.8
128.01608	0.7
133.01428	17.9
134.03746	31.5
149.06088	6.9
151.00362	4.4
178.02715	3.9
178.99837	3.3
193.05067	93.1
203.08150	1.1
226.76727	0.7
255.03070	4.7
271.02542	7.2
300.02759	100.0
301.03537	34.6
302.80865	0.7
309.06204	19.0
463.08859	79.0
600.90765	0.8
761.71625	0.8
765.75702	0.8
790.34540	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	773.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67244	0.7
59.01380	4.9
60.49554	0.9
71.01381	20.5
73.02957	6.9
75.00877	0.9
80.53140	0.9
83.01385	2.0
85.02954	10.0
87.00900	1.1
89.02460	1.8
95.01357	1.0
99.00880	2.1
101.02449	15.6
103.03964	1.0
109.02946	1.9
113.02422	12.6
121.02927	3.5
122.03732	87.7
123.04519	39.1
125.02412	2.0
135.04527	2.0
137.02495	1.2
137.06068	4.4
147.04541	1.2
153.01906	1.4
158.16396	1.1
159.02962	1.2
161.04523	11.9
165.05569	9.8
167.03404	1.1
172.01294	0.9
177.05591	4.8
285.09869	1.4
325.05573	1.6
329.08801	100.0
357.09860	3.3
359.09921	1.5
425.08774	1.1
465.10468	1.0
573.85297	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	773.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.09081	0.6
63.79845	0.6
64.48728	0.6
68.39714	0.6
74.93726	0.6
99.19636	0.7
117.20300	0.8
121.02946	27.8
168.33073	0.7
175.07631	0.9
188.04950	0.7
236.52298	0.6
237.09328	0.8
254.19572	0.8
255.23187	1.3
435.20938	0.8
629.25629	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	773.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.49767	1.4
74.98198	1.2
79.10616	1.1
134.40588	1.2
162.38210	1.1
230.27786	1.2
247.88104	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	773.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32535	0.3
59.01377	2.6
63.18357	0.3
70.21135	0.3
81.40469	0.3
130.41270	0.3
232.22900	0.3
235.13496	0.3
241.65295	0.4
245.19090	1.4
247.13535	0.4
269.55862	0.3
273.18604	1.2
279.12405	0.4
289.18173	0.8
291.19632	0.4
333.20721	4.9
351.21808	100.0
421.20807	0.5
660.05975	0.4
773.36694	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	775.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50674	0.6
71.01383	8.9
71.93950	0.6
89.02448	0.6
115.00365	11.1
117.03472	1.2
125.02433	14.5
133.01434	35.8
134.03741	37.5
149.06090	6.6
151.00291	0.9
152.01134	2.1
163.03928	0.6
177.01927	0.6
178.02722	3.0
178.99866	0.9
193.05067	100.0
217.05043	0.9
223.06114	1.0
259.06052	1.2
275.05728	1.2
285.04147	4.3
309.06201	26.3
338.98856	0.6
465.10336	26.3
514.72858	0.7
775.17834	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	775.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18338	0.8
59.01378	1.5
71.01374	1.1
72.62612	1.0
75.00872	9.8
78.19645	0.8
83.03565	0.8
84.38707	0.7
89.02436	4.5
93.03456	3.4
101.31157	0.9
109.02929	1.4
121.02905	1.0
135.03001	69.5
137.02425	9.2
149.02414	1.8
151.00266	1.2
151.03983	1.7
155.03482	0.9
161.02448	29.2
163.00366	13.0
164.01149	4.3
165.01923	53.4
165.03314	1.8
167.03374	0.8
173.02290	1.2
173.04546	31.4
173.82567	0.8
176.01132	4.4
177.01935	39.2
190.02675	3.3
202.99850	1.4
204.00659	2.0
205.01443	10.2
218.02153	11.2
239.07199	1.1
255.06587	0.9
265.04993	1.2
281.04517	1.1
283.06027	1.2
309.04068	7.5
311.07785	9.1
315.05081	1.9
321.62509	0.9
326.45978	0.9
327.05115	100.0
345.06161	21.8
371.11560	0.9
373.05453	1.5
379.11487	1.6
463.08923	8.5
545.06079	0.9
651.51154	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	775.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	9.8
71.92541	0.4
76.06816	0.4
76.26281	0.5
115.00385	7.3
117.03482	2.2
133.01419	10.3
134.03743	29.7
149.06082	8.8
155.20845	0.5
163.03969	1.0
178.02701	3.3
189.37677	0.5
193.05070	100.0
198.41420	0.5
226.38492	0.5
309.06207	17.0
574.88965	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	775.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.0
71.01376	20.2
85.02971	2.5
89.02445	30.2
91.70491	2.1
101.02450	22.3
101.03781	2.1
113.02458	16.1
119.03490	16.9
139.34781	2.2
174.45584	2.5
196.94156	2.4
203.59048	2.2
237.18733	2.3
323.13504	100.0
405.52347	2.4
433.81763	2.4
462.37268	2.7
597.25653	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	775.299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29831	0.6
56.66565	0.6
66.90454	0.7
83.01361	1.1
97.02951	4.8
98.02472	0.8
109.02941	12.5
121.02973	1.3
123.04551	6.8
125.02438	10.0
135.04536	1.2
137.02464	7.9
139.04022	1.5
149.02457	1.7
151.04005	7.7
161.02489	1.5
161.06110	4.9
162.03259	1.2
164.01155	1.6
165.01932	4.6
167.03500	1.6
169.99777	0.7
175.03973	1.3
179.03540	11.9
179.07176	1.4
187.03972	5.5
188.04794	3.2
189.05585	1.0
202.06404	1.2
203.07170	20.3
205.05074	20.2
219.06729	0.9
219.29462	0.8
220.62180	0.8
221.08171	3.2
227.07080	3.2
230.05829	1.3
231.02977	0.9
233.08180	1.4
245.08179	32.5
247.06061	1.6
289.07193	63.4
299.12930	3.8
343.11923	9.4
387.14526	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	775.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62782	1.1
57.87127	0.9
59.01387	100.0
60.11672	0.8
60.92427	0.9
63.56948	0.9
72.97147	0.9
76.56315	1.0
83.14349	1.1
101.53316	1.2
121.02068	2.2
121.02950	58.1
122.12749	1.1
147.03453	1.4
147.04532	24.8
154.44058	1.1
206.88945	1.1
255.13885	1.9
310.12134	1.6
325.14468	25.8
471.35446	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	775.299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29831	0.6
56.66565	0.6
66.90454	0.7
83.01361	1.1
97.02951	4.8
98.02472	0.8
109.02941	12.5
121.02973	1.3
123.04551	6.8
125.02438	10.0
135.04536	1.2
137.02464	7.9
139.04022	1.5
149.02457	1.7
151.04005	7.7
161.02489	1.5
161.06110	4.9
162.03259	1.2
164.01155	1.6
165.01932	4.6
167.03500	1.6
169.99777	0.7
175.03973	1.3
179.03540	11.9
179.07176	1.4
187.03972	5.5
188.04794	3.2
189.05585	1.0
202.06404	1.2
203.07170	20.3
205.05074	20.2
219.06729	0.9
219.29462	0.8
220.62180	0.8
221.08171	3.2
227.07080	3.2
230.05829	1.3
231.02977	0.9
233.08180	1.4
245.08179	32.5
247.06061	1.6
289.07193	63.4
299.12930	3.8
343.11923	9.4
387.14526	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	775.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.39275	0.9
75.26059	0.8
84.05874	0.8
86.59785	1.0
87.06686	0.8
95.39225	0.9
99.64167	0.9
112.81509	0.9
116.92846	1.2
121.02954	58.4
239.50458	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	775.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	0.5
59.01385	10.5
61.62930	0.3
62.31757	0.3
89.93803	0.3
90.18917	0.3
117.44345	0.3
121.02950	100.0
150.40646	0.4
164.25603	0.3
164.31586	0.3
239.07576	0.3
371.84818	0.3
385.06293	0.4
551.37927	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	775.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01377	0.8
59.18711	0.6
60.92341	0.7
61.65643	0.6
66.30335	0.6
70.72995	0.7
80.73389	0.7
83.05037	1.4
95.04916	1.3
97.02940	4.4
97.06603	0.7
99.04524	3.4
111.04553	2.8
123.08147	1.0
125.06053	1.8
127.95248	0.8
136.05251	7.2
137.09720	1.6
139.07649	4.3
147.11795	1.6
151.07642	61.2
151.11287	7.7
159.08185	0.7
167.07129	1.2
168.07924	18.0
169.08771	5.4
171.11841	1.3
173.09718	1.6
175.11264	1.2
179.07132	3.7
179.10770	1.7
180.07782	1.7
184.08926	11.5
187.11284	3.5
189.09227	0.9
189.12860	8.5
191.11011	0.9
199.11244	10.2
201.09166	3.1
202.10002	3.5
205.12349	24.4
206.84401	0.7
215.10715	5.5
217.12315	36.7
235.13263	5.7
249.11394	1.3
250.25687	0.8
261.11395	1.7
270.56131	0.9
279.12381	100.0
300.02972	0.7
301.03189	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	775.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	7.2
60.22437	0.6
71.01382	9.0
73.02940	1.1
75.45257	0.6
78.09698	0.7
89.63340	0.7
92.20036	0.8
96.29707	0.6
96.95972	1.4
108.70091	0.6
125.02464	0.6
151.07661	11.2
161.09639	0.7
179.10789	20.1
189.09248	1.0
191.10750	4.8
209.11806	6.7
219.13931	0.9
223.09761	6.9
237.14983	1.4
263.12848	3.9
281.13943	100.0
638.45850	0.7
683.53107	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	775.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
107.49669	0.8
143.59499	0.9
174.00398	0.8
189.01462	0.8
310.57388	0.8
363.33292	0.9
455.47269	1.0
715.54199	1.1
775.53723	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	775.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81362	0.5
61.98837	100.0
64.48956	0.7
65.51347	0.6
69.60522	0.5
73.02303	0.5
120.10645	0.5
120.27924	0.5
222.31807	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	776.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	0.3
58.02708	0.5
58.02979	8.3
60.56271	0.3
60.99398	0.3
69.63503	0.3
70.02977	5.6
72.00900	0.5
82.76508	0.4
91.05529	6.8
119.05035	0.5
133.01410	3.9
134.00597	0.4
134.01701	0.4
147.04507	17.4
162.09299	1.7
163.03996	2.0
164.07170	74.8
206.08228	100.0
234.57239	0.4
250.07243	3.7
433.63907	0.4
785.75732	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	776.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52314	0.8
59.01386	100.0
71.01379	1.2
89.54958	1.0
97.48773	1.0
99.04500	0.9
108.56234	0.9
121.02951	43.2
130.04202	1.0
148.20763	1.0
192.10362	8.9
255.23224	1.0
341.13977	1.2
359.15039	4.9
419.17029	11.2
445.07776	1.1
734.31836	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	777.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28550	2.1
59.95424	1.9
60.75739	1.8
66.97076	1.9
71.01370	3.5
71.77106	2.2
98.26534	2.3
118.88438	2.2
134.03767	12.8
149.06087	15.8
150.38965	2.5
156.91559	2.4
167.05963	3.0
178.02747	9.8
193.05063	100.0
252.36452	2.6
300.69513	2.3
355.10281	14.2
453.10272	4.6
471.11447	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	777.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73594	0.2
57.15371	0.2
58.13789	0.2
59.01357	0.3
77.75266	0.2
82.66077	0.2
83.01350	0.3
92.20100	0.5
103.14693	0.2
106.36819	0.2
126.87833	0.2
133.01892	0.2
133.02966	1.1
147.89221	0.2
151.00409	1.0
151.18188	0.3
175.03972	0.4
198.13014	0.3
217.05243	0.3
223.43338	0.2
236.43762	0.3
241.05089	0.3
241.92091	0.2
285.04056	100.0
311.16541	2.6
329.17596	3.3
491.23007	2.3
600.82556	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	777.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01147	3.7
59.01390	73.7
64.30038	3.2
71.01370	5.2
76.31039	3.1
89.02457	4.8
121.02963	100.0
157.52568	3.3
167.03568	4.5
383.26767	4.0
475.20065	15.9
493.20956	6.6
531.71783	4.2
675.26422	7.5
678.71271	3.8
717.26666	3.6
793.77075	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	777.3871
Annotation	Clibadiolide
Peak:m/z	Relative Intensity
74.46754	2.6
78.88898	2.7
85.41679	2.5
97.02965	4.2
109.02964	4.4
121.02929	2.9
123.04509	12.4
130.12584	2.6
149.02493	7.7
151.03987	3.3
161.02580	3.9
161.06078	3.3
165.05530	2.9
181.35278	2.5
203.07159	13.7
205.05049	18.6
231.03043	3.5
232.32744	2.6
247.06110	10.5
559.82953	2.8
777.24677	3.4
777.38818	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	777.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
82.77711	4.0
85.24567	4.2
86.47997	3.7
91.20402	3.9
107.16887	3.9
129.26274	3.9
167.10802	16.3
195.13916	9.9
223.13470	6.6
253.09219	18.6
265.18118	63.7
272.43152	4.7
293.21246	100.0
299.19824	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	778.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.17018	0.6
61.98837	100.0
75.11021	0.6
75.98269	0.6
82.42596	0.6
85.22748	0.6
86.01949	0.5
88.10375	0.6
121.02950	1.0
158.72481	0.6
215.25833	0.6
270.04907	0.8
546.35480	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	778.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26225	5.9
58.77495	6.3
59.01136	9.2
59.01389	100.0
66.49736	7.7
72.57359	6.2
73.93121	7.3
76.15820	6.5
92.63966	7.0
97.49293	6.8
100.06461	8.7
148.90804	8.1
208.09808	33.3
209.11772	10.0
217.94580	7.7
227.12985	8.8
247.29454	7.0
285.03949	72.7
286.04263	41.6
564.26215	14.4
717.64020	8.4
778.29626	10.6
790.08862	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	779.221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01817	2.0
76.93746	2.3
91.00771	2.0
95.49667	2.0
109.02943	4.1
112.79816	2.5
118.96010	2.3
123.04586	3.5
124.02412	2.6
125.02445	100.0
137.02443	15.3
151.03986	9.4
161.02455	22.7
165.01979	5.0
175.03979	2.5
177.01852	3.2
179.03490	5.0
187.03987	3.0
203.07118	10.4
205.05122	4.8
224.02133	2.6
242.19510	2.6
245.04550	3.3
245.08240	18.4
245.10281	2.7
255.02814	2.9
256.03546	4.3
256.19458	2.6
280.97308	2.5
281.04477	2.8
287.05750	8.6
289.07132	41.4
339.08881	3.2
407.07706	30.0
425.08920	35.9
434.86288	2.6
436.51416	2.2
451.10269	5.5
577.13599	71.4
761.94885	2.6
781.67096	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	779.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72152	0.4
59.01362	1.2
69.03455	1.8
71.05003	0.9
82.09219	0.4
159.37384	0.5
161.13339	0.5
167.10777	4.9
179.10799	2.7
179.14407	4.2
195.13892	14.9
205.12352	13.4
223.13397	100.0
355.86234	0.6
524.23120	0.6
528.08960	0.5
598.56061	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	779.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84121	0.5
59.01104	0.7
59.01385	14.4
63.79530	0.4
69.03463	0.9
71.01369	1.0
73.02930	0.5
82.58874	0.5
85.02962	0.9
85.43980	0.5
89.02431	2.0
101.02439	3.2
111.12108	0.5
113.02447	1.0
115.63925	0.5
130.67166	0.5
143.03442	0.5
161.04564	1.1
167.10791	3.1
179.10823	0.9
179.14417	3.0
192.67728	0.5
195.13911	8.9
205.12369	8.9
222.98422	0.5
223.13400	61.2
233.22824	0.7
235.08177	2.9
253.09329	5.4
277.21729	100.0
441.21249	3.9
459.22433	8.7
513.30927	6.0
719.43823	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	779.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.2
67.85215	1.5
71.01357	1.9
71.26073	1.4
89.99458	1.7
101.02416	3.3
108.20282	1.6
113.02451	2.0
161.04514	2.7
167.10760	2.4
179.14372	2.1
195.13924	10.2
205.12311	13.1
223.13393	86.3
236.13713	1.6
240.36757	1.7
253.09326	2.5
265.70099	1.4
277.21710	100.0
304.10181	1.6
429.42184	1.8
441.21259	1.8
459.22321	14.4
513.30627	8.1
719.43939	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.26537	0.8
90.46089	0.8
102.37612	0.9
107.77975	0.9
108.02283	1.0
121.02946	14.0
122.03255	6.9
158.09343	0.9
179.97333	1.0
354.46219	1.0
388.50534	1.0
404.82199	1.2
429.37308	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	781.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54414	0.4
70.34642	0.5
78.95910	21.6
96.96960	100.0
109.12301	0.5
117.25874	0.6
182.31294	0.5
255.55472	0.6
347.29117	0.5
439.08630	39.1
577.61432	0.6
796.37958	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	781.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46299	0.5
71.01379	12.9
79.86546	0.5
81.23078	0.6
83.57028	0.6
92.19488	1.2
96.87246	0.5
115.00345	5.6
134.03773	1.0
147.04497	2.7
149.02426	7.9
161.75864	0.7
164.04794	35.6
179.07120	5.4
193.05049	3.0
200.24747	0.6
208.03822	6.6
223.06120	100.0
339.07236	17.3
339.11194	0.6
418.26929	0.7
439.47842	0.6
492.67252	0.7
694.84534	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	781.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43855	0.7
54.85757	0.7
59.01384	9.1
91.74055	0.8
97.92052	0.8
107.16116	0.8
180.98688	0.9
200.96664	0.7
217.71550	0.9
251.20166	100.0
253.09369	1.4
487.29285	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	782.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	7.7
84.45164	0.5
91.58668	0.4
111.63253	0.4
115.00347	4.4
125.02388	0.6
134.03751	11.8
149.06076	21.6
178.02734	10.8
193.05067	100.0
219.89503	0.5
296.02481	0.5
355.10361	14.5
438.63123	0.6
453.10556	6.2
471.11514	12.9
606.43817	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	782.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.8
65.14450	2.2
76.38010	2.5
82.36192	3.2
116.08212	2.5
121.02949	100.0
187.13484	2.9
192.10268	3.0
223.16730	2.6
230.21814	3.1
336.34824	3.1
660.29437	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	782.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48449	1.2
86.32816	1.6
92.19390	3.0
93.93486	1.5
124.96234	1.7
129.10358	15.4
139.08826	2.1
140.07115	5.2
146.06075	2.3
155.08224	3.1
165.10245	3.1
182.12894	1.8
183.11472	2.0
200.14056	7.3
207.15053	20.8
224.17702	3.1
225.16045	3.1
241.13449	2.5
242.11790	2.4
242.18729	22.9
259.14536	8.7
268.16971	1.5
287.07620	1.7
295.21362	9.0
310.24973	2.0
313.22488	6.5
330.18466	2.2
337.26157	13.5
337.69830	1.6
347.20996	1.9
355.27051	3.7
539.39227	2.1
782.52063	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	783.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43633	2.5
71.56117	2.8
71.80862	3.0
85.02946	100.0
118.52489	3.2
125.02442	70.4
126.45773	3.6
129.01917	33.6
137.02455	19.4
159.22505	3.1
165.01923	14.9
167.03487	14.6
173.00929	24.5
177.01910	68.5
179.03473	7.8
188.16910	3.4
221.04517	3.8
229.05147	3.5
243.03027	5.2
255.03011	14.2
256.03720	3.7
261.03879	3.8
283.02414	21.6
288.54910	3.3
297.04089	7.2
305.06683	30.0
423.07199	44.8
441.08258	40.1
609.12378	75.6
647.10480	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	783.1426
Annotation	Desgalloyl theaflavonin
Peak:m/z	Relative Intensity
60.17350	0.9
66.23434	0.9
83.01375	2.2
83.50465	1.0
107.01401	4.4
107.67467	1.0
125.02423	8.6
137.02441	2.1
145.74231	1.1
151.00391	24.8
152.01180	2.5
154.24373	1.1
164.01059	1.6
167.03462	5.8
169.01340	1.3
177.01949	1.8
178.99869	48.6
179.03423	1.5
192.00684	1.3
193.01439	5.1
208.00063	1.2
227.03488	2.0
243.02771	1.7
255.02774	1.4
257.04559	1.5
259.02432	9.3
260.03220	6.3
261.04053	1.5
267.02869	2.2
269.01044	1.3
269.04373	1.5
271.02411	2.3
272.03140	5.0
273.04028	25.1
275.05432	1.9
283.02542	11.4
285.04019	6.0
287.02032	7.4
288.02805	5.5
295.02356	2.2
296.03275	1.2
297.03986	2.0
299.01953	6.0
300.02777	2.7
301.03571	9.6
309.03922	1.2
310.01184	1.6
311.01990	6.2
311.05402	3.0
312.02826	1.9
313.03598	6.6
315.01419	4.9
315.05029	2.0
316.02258	5.9
325.03665	15.4
329.03015	2.3
339.01297	1.6
347.05856	1.8
349.03574	11.8
351.01343	1.6
365.03055	1.3
373.03622	1.4
391.04816	10.8
395.07968	1.5
423.03311	1.1
435.03613	4.3
621.08661	4.3
631.12872	5.0
645.11273	19.7
783.14270	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	783.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84732	2.5
55.07491	2.1
58.37115	2.6
68.79673	2.9
68.98661	2.3
81.32748	2.3
109.02945	30.3
122.03741	12.3
123.04523	64.4
125.02454	3.4
137.02431	4.2
139.04045	27.3
149.06506	2.4
150.03174	4.8
151.04005	49.5
163.03987	14.0
164.01167	33.5
165.01891	5.0
165.05566	18.0
177.01817	2.7
178.02776	3.9
179.03503	84.2
193.05132	6.0
276.12253	3.0
303.05444	4.7
303.08762	100.0
317.10315	52.1
479.15625	22.2
783.29150	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	783.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.88582	0.6
101.94628	0.7
101.98835	0.6
117.01260	0.7
124.36564	0.7
147.04532	0.9
168.99170	0.7
214.06505	0.8
221.99498	0.8
271.15201	0.7
283.27103	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	783.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	4.3
59.01385	100.0
92.20116	3.2
103.91591	2.3
122.78291	2.3
124.85656	2.4
149.49426	2.6
161.96341	2.3
180.98547	2.6
193.94310	2.2
256.85666	2.4
413.20749	2.4
416.24231	2.4
479.08295	2.5
748.76227	2.6
772.74500	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	783.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
61.68648	1.1
70.37141	0.9
78.12643	1.1
83.01360	1.2
106.63869	1.1
124.10453	1.1
125.02438	70.8
135.56273	1.0
137.02426	1.6
149.02438	2.4
151.00351	6.4
151.04034	4.4
152.01143	3.8
153.01901	11.8
175.03976	13.8
177.01939	17.6
178.99843	9.5
181.01402	5.2
189.05530	5.0
193.05077	1.7
199.04010	6.4
201.01877	1.3
216.04231	1.2
217.05099	10.4
241.05074	9.0
257.04507	1.5
259.06171	7.9
275.05551	6.2
285.04047	64.2
303.05099	100.0
420.17661	1.3
543.19202	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	783.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21457	1.0
56.08691	1.0
59.01384	100.0
60.31784	1.1
71.01378	13.6
89.02443	21.7
99.04542	1.6
101.02426	8.5
113.02450	8.7
119.03505	6.9
179.05603	9.0
192.03093	1.1
278.23108	1.4
279.10876	14.8
372.48795	1.2
573.92511	1.3
638.24158	1.2
783.37585	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	784.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49593	16.5
72.07066	16.0
92.19392	30.9
120.01214	18.8
121.02953	29.0
125.02495	18.6
137.02435	22.0
165.01988	21.2
171.55380	18.3
745.69910	23.4
784.27313	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	784.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04832	15.7
63.97145	16.8
66.51869	19.0
83.68726	16.0
95.88126	18.2
117.36264	17.7
154.83665	18.9
179.03612	18.5
196.09395	17.9
274.25250	20.1
298.92084	22.0
381.46091	21.0
643.04645	20.4
784.27777	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	784.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.7
62.50433	0.9
67.89298	1.0
72.04541	17.2
72.99313	29.7
74.28580	0.9
75.38276	1.0
97.70501	1.0
105.07112	2.4
119.05010	6.4
124.79662	1.1
132.08165	9.3
133.79184	1.1
145.06635	1.3
146.06099	1.2
162.09250	12.2
174.09274	9.5
176.07166	12.8
181.08936	1.0
190.08778	2.0
194.08258	9.9
218.08205	20.2
236.09291	100.0
380.41742	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	784.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.46897	0.6
77.79618	0.6
78.89831	0.6
119.65352	0.7
125.73808	0.7
142.30409	0.8
165.01968	0.8
208.09833	1.0
235.99281	0.6
252.50777	0.7
625.34534	0.8
691.44159	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	784.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66737	0.5
59.01385	100.0
60.12114	0.5
63.13043	0.5
63.19326	0.5
71.16537	0.6
72.99303	1.3
76.44010	0.7
124.15647	0.7
152.37030	0.6
186.81079	0.6
190.08752	4.6
196.47687	0.7
208.09799	11.9
235.11287	0.8
250.10875	5.7
253.88794	0.7
269.04373	0.9
486.22855	0.9
546.24713	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	784.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.61209	0.9
67.57111	0.9
68.65429	1.0
71.43236	0.9
82.80011	0.9
83.86147	1.1
85.34927	1.1
88.07304	0.9
97.33595	0.9
348.27673	1.1
460.22766	1.1
600.40942	1.1
629.20862	1.3
759.65210	1.2
760.19781	1.2
819.97504	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	784.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79512	0.4
59.01385	100.0
69.57346	0.6
92.20155	0.8
101.06036	0.6
116.92818	0.6
173.70589	0.5
190.08844	0.6
201.62361	0.6
208.09831	1.9
627.84174	0.5
777.39423	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	784.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
87.04305	0.7
100.95541	0.7
109.31476	0.7
132.44197	0.9
149.45105	0.7
155.12419	0.7
165.12228	0.7
190.08676	1.0
198.15456	0.7
273.09735	0.7
463.04016	0.7
787.49512	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	784.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.93241	1.3
63.62140	1.5
65.66269	1.5
70.10634	1.2
70.52757	1.3
178.30948	1.7
185.11858	2.0
190.08797	4.9
208.09769	10.4
250.10838	5.6
269.04871	1.8
282.83365	1.5
301.58737	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	785.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92861	1.1
92.20150	2.6
119.60657	0.9
125.02402	8.1
138.76913	1.0
151.00328	1.5
153.01918	1.3
168.97432	0.9
175.03903	1.2
178.55919	0.9
178.99788	1.5
191.05621	16.3
203.08235	1.0
218.36452	1.0
227.03531	1.4
229.04971	2.1
236.07118	1.1
245.09245	1.6
255.02971	6.4
256.03912	1.4
257.04495	4.0
275.05914	1.2
284.03253	73.9
285.04065	100.0
303.05234	7.1
306.77466	0.9
456.52457	1.1
479.38705	1.1
593.15198	93.6
647.34857	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	785.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52194	4.3
61.64367	5.2
71.45267	5.5
91.00580	5.1
99.39733	4.8
107.34568	4.9
121.02986	43.3
149.99635	5.8
515.52368	5.9
522.62054	5.4
689.26233	8.1
712.18408	8.3
785.25989	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	785.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38457	0.4
56.59274	0.5
58.02979	3.8
59.76176	0.6
70.02980	6.8
71.23701	0.6
72.04545	1.1
74.02474	34.4
86.84998	0.6
98.02478	6.1
113.19687	0.5
116.03522	18.0
116.05052	8.5
130.06625	0.8
142.06607	1.2
159.09283	3.4
186.05754	0.6
201.10358	5.8
203.08282	62.8
243.14766	0.7
245.09314	100.0
289.08429	5.2
359.25156	0.6
655.54761	0.7
686.18207	0.7
732.89349	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	785.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
57.12112	0.8
59.01361	1.1
61.52776	0.9
72.92544	1.0
82.57394	1.0
83.05017	1.0
92.19483	1.0
97.02937	4.4
99.04511	3.9
111.04501	1.9
114.51564	1.1
121.06562	1.6
123.08103	1.4
125.06087	2.0
136.05290	9.8
137.02435	2.1
137.09738	1.3
138.03226	10.7
139.07637	5.2
144.48660	1.0
147.08182	1.0
151.07640	72.0
151.11247	9.3
159.08142	1.1
163.03979	1.4
164.01140	1.1
165.01949	10.7
167.07117	2.4
168.07921	23.2
169.08704	5.2
171.11769	4.8
173.09776	3.8
175.11220	2.1
179.03494	1.2
179.07172	2.4
179.10747	1.6
184.08942	15.2
187.11235	6.0
189.12886	9.5
199.11273	11.9
201.09128	3.6
202.10059	3.4
205.12364	31.4
207.42749	1.0
215.10748	2.2
217.12325	40.2
235.13396	5.4
279.12375	100.0
343.11761	2.0
359.97379	1.4
616.90826	1.1
785.34167	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	785.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27843	2.4
77.41895	2.6
84.88837	2.2
87.88898	2.7
94.50353	2.3
116.92855	11.8
118.92621	3.3
121.02959	13.8
154.83289	2.2
158.88380	2.7
163.09647	2.4
164.56755	3.0
183.52014	2.6
200.76306	2.6
209.04521	5.4
223.13309	11.1
289.17999	4.6
731.40155	4.2
785.38788	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	785.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70637	0.8
55.26725	0.8
57.97730	0.9
71.01385	0.8
76.57951	1.0
82.84518	1.0
104.37045	1.0
105.63641	1.0
108.27936	1.0
116.14548	1.1
130.92917	1.2
165.12851	1.6
191.14441	39.2
193.16005	8.9
205.01688	0.9
219.13927	7.8
222.93254	1.0
237.14963	96.5
281.13947	100.0
558.31488	1.1
642.71454	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	786.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91866	0.7
59.01378	1.5
63.23022	0.7
63.65719	0.6
65.54321	0.6
65.89532	0.6
66.09738	0.7
72.99296	1.5
85.02948	0.6
92.20136	1.3
97.02956	1.4
109.02949	0.7
113.09665	0.9
114.09247	6.6
115.07649	14.7
118.06595	3.3
119.05012	7.7
121.02956	100.0
134.06181	0.9
137.06146	0.7
139.04019	1.2
144.04602	1.0
149.09694	1.2
161.55260	0.7
162.05595	3.2
165.09181	4.7
177.09160	1.2
191.07175	1.1
203.07330	0.6
204.13817	1.0
215.10825	0.7
216.13916	3.8
229.12268	0.9
232.13316	2.8
260.12909	14.9
269.11731	0.7
271.13580	0.8
278.14053	5.1
289.14417	1.0
295.13367	1.1
319.15598	11.0
343.15414	1.0
361.16660	2.7
373.16565	3.6
403.17630	2.8
509.47116	0.7
525.21240	7.1
756.34570	5.4
786.35175	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48637	0.4
59.01383	2.8
61.98838	100.0
72.10794	0.6
78.38426	0.6
87.68477	0.5
92.20235	0.5
112.35877	0.5
115.10911	0.5
254.61143	0.6
281.85242	0.6
346.30737	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	786.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26575	0.5
58.00111	0.5
59.01385	100.0
60.29213	0.5
63.72602	0.6
68.93047	0.5
70.97175	0.6
72.99315	4.5
74.02472	0.7
81.04858	0.6
83.46969	0.7
85.45797	0.7
116.92855	0.8
121.02959	0.8
166.33455	0.7
190.08749	14.2
208.09807	38.6
209.57314	0.7
250.10844	48.3
727.40216	0.8
767.76862	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	786.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.82663	0.3
70.18981	0.3
85.22227	0.4
99.13058	0.3
110.49606	0.3
112.35367	0.3
115.56040	0.3
125.02457	0.4
136.76970	0.3
138.72527	0.3
157.88638	0.3
192.10382	0.4
208.10031	0.3
230.61403	0.3
270.96552	0.3
422.30515	0.3
557.66693	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	786.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44529	0.5
59.01384	100.0
63.55543	0.5
76.53058	0.5
85.17914	0.5
92.20145	0.9
109.46781	0.5
145.77594	0.5
147.04575	0.8
169.37698	0.6
177.98277	0.5
208.09747	0.8
350.79181	0.5
449.71951	0.5
579.26630	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	786.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.87540	0.6
69.02415	0.6
76.86060	0.7
88.38825	0.7
92.20105	1.2
96.06282	0.7
122.52409	0.7
130.45409	0.6
174.72856	0.7
183.29581	0.6
189.39653	0.7
248.68639	0.6
248.82144	0.7
317.51859	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	786.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76410	0.6
57.95349	0.7
59.01385	100.0
60.55671	0.6
64.97276	0.7
65.60218	0.7
72.99295	4.1
78.09382	0.7
87.09075	0.7
92.19434	1.5
97.15324	0.7
102.84573	0.8
104.60055	0.7
106.15827	0.9
112.91167	0.7
116.92839	1.1
119.04982	0.8
126.08910	0.8
160.25473	0.8
162.09172	1.0
190.08746	14.4
208.09795	34.7
234.80461	0.8
250.10860	41.2
271.44736	0.9
332.93973	1.0
385.82251	0.9
562.47949	0.9
589.47687	0.9
738.03754	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	787.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
66.65919	0.7
70.79934	0.9
71.01369	1.2
73.02959	0.8
81.90758	0.7
83.07152	0.7
89.02441	1.2
113.02428	3.7
125.02391	1.1
137.09729	10.7
155.10780	100.0
169.12288	3.6
179.10782	1.9
181.08743	3.3
197.48953	0.8
199.09772	93.3
203.08406	0.9
205.04988	0.8
223.09731	3.8
241.10892	1.1
361.15045	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	3.1
58.47316	0.3
63.48378	0.3
63.66287	0.3
70.02982	6.4
71.01369	0.8
72.04548	2.2
74.02470	29.6
74.23377	0.4
74.80496	0.3
83.21149	0.3
93.33128	0.4
97.06070	0.3
98.02470	5.3
101.02358	0.4
107.15415	0.4
115.00328	0.5
116.03531	16.3
116.05013	5.2
125.02422	0.4
125.56300	0.3
130.06549	0.5
134.03726	4.1
142.06656	1.3
149.06075	0.7
150.96072	0.3
151.03984	0.5
159.09267	2.3
165.01962	0.5
170.60469	0.4
178.02679	0.5
183.09268	0.4
186.05640	0.7
193.05063	13.5
193.93150	0.4
201.10378	5.7
203.08281	59.4
204.08589	0.7
245.09311	100.0
246.09608	0.7
289.08371	7.9
309.06180	1.9
466.19229	0.4
467.13303	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	787.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79372	0.2
79.01541	0.3
81.03450	2.5
82.88921	0.3
105.16592	0.3
105.21182	0.3
125.02435	9.9
137.68904	0.3
176.59908	0.3
198.16806	0.3
267.19510	0.5
289.21753	0.8
307.22662	0.6
331.22806	1.3
349.23843	6.4
375.21530	0.6
393.22845	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	787.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82551	0.5
101.47313	0.5
125.02466	0.9
163.11348	1.0
165.02010	0.6
190.59187	0.5
191.14436	100.0
235.13400	31.9
251.12993	0.8
279.12393	47.6
289.07248	0.6
365.19724	5.9
465.56622	0.7
787.34821	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	787.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42013	0.4
69.33982	0.5
86.70293	0.5
87.73405	0.5
91.92252	0.5
93.35036	0.5
98.04837	0.5
163.11275	1.0
165.01968	0.6
170.51631	0.5
189.12801	0.7
191.14438	100.0
229.67909	0.5
235.13399	33.9
250.99388	0.6
279.12384	50.9
351.21735	3.1
365.19623	0.7
511.60419	0.6
603.76324	0.5
620.23920	0.6
654.78357	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	788.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
59.01373	9.9
72.99301	34.6
92.19513	2.8
94.65728	2.3
98.06116	5.2
99.04515	27.8
106.69373	2.5
109.02927	2.8
111.04516	3.4
115.58730	2.3
118.48634	2.7
119.05022	10.7
121.02951	81.4
121.06573	5.5
123.04479	2.6
131.27997	2.4
139.07649	3.0
142.27861	2.8
145.04286	2.5
149.06033	3.0
168.45262	2.6
177.12822	3.1
188.10840	11.0
191.07222	3.1
193.08728	3.1
199.44873	2.3
200.10721	4.6
204.06615	3.2
216.10283	44.7
218.48451	2.5
219.10297	4.1
244.09824	12.8
262.10846	100.0
304.11920	65.9
331.15399	24.3
349.16534	2.8
373.16684	3.3
455.69434	2.8
462.02954	2.6
594.27039	4.6
636.28412	25.5
750.20300	2.7
780.16235	2.8
799.95197	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	788.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	4.0
73.58286	2.4
76.21513	2.8
84.40186	2.6
85.98450	2.5
96.33105	2.7
99.04472	2.7
106.92841	3.0
111.04497	12.7
113.02439	3.5
121.02948	100.0
122.43015	2.9
140.91510	2.9
159.04724	2.6
165.92776	2.7
175.66969	2.6
207.57780	2.8
215.11014	2.9
216.10283	11.8
219.13916	2.8
247.13412	31.0
262.10892	11.1
265.14459	14.0
361.16626	4.4
391.17554	5.3
400.27332	3.1
501.21082	13.1
701.48370	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	788.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37708	0.5
59.01390	8.9
59.21176	0.4
65.38522	0.6
88.50092	0.5
88.98781	0.5
94.48196	0.4
97.84087	0.5
106.09669	0.6
107.70410	0.5
121.02953	100.0
167.46622	0.5
168.08882	0.5
196.47800	0.5
199.04295	0.6
264.97678	0.5
693.50592	0.6
788.44275	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	788.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
66.93463	0.3
73.63071	0.3
79.48617	0.3
82.41563	0.3
83.23270	0.3
99.29063	0.4
121.02950	100.0
129.38791	0.3
134.04762	0.4
159.34077	0.3
166.74318	0.3
183.84612	0.3
270.10742	0.3
291.09671	0.3
488.24173	1.3
735.31610	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	788.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.6
60.88064	0.3
61.01206	0.3
62.72031	0.3
69.61226	0.3
99.70212	0.3
101.76839	0.3
102.72505	0.3
121.02951	100.0
134.42798	0.3
146.57243	0.3
174.38147	0.3
192.10376	0.8
198.69334	0.4
266.71530	0.4
488.24646	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	788.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
70.63625	0.5
72.78873	0.5
77.31511	0.4
80.43279	0.5
81.15358	0.6
82.08678	0.5
85.00430	0.5
114.27360	0.5
121.02950	100.0
125.02408	0.5
165.14369	0.4
255.00412	0.5
336.96420	0.5
488.25253	0.5
615.20667	0.5
775.18439	0.5
788.44116	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	788.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07065	0.4
56.34185	0.4
78.95908	3.6
111.54866	0.4
118.26596	0.4
121.85664	0.4
125.09689	3.5
141.12865	0.7
149.09697	1.9
151.11227	0.4
152.99545	1.0
168.04257	0.7
172.91937	0.5
185.11797	9.2
197.11844	2.6
206.22253	0.4
224.06976	3.2
249.22212	0.8
255.23300	40.0
288.03220	0.4
293.21237	100.0
305.24872	0.5
312.83499	0.5
388.37170	0.4
480.31012	26.3
654.30780	0.5
702.98932	0.5
737.43286	0.5
788.54791	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	789.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69355	0.5
58.20431	0.5
59.01392	1.3
71.01412	0.9
83.15961	0.5
104.83640	0.6
115.00406	0.8
125.02502	0.7
133.01390	0.9
134.03719	2.2
138.82343	0.6
151.00339	1.1
178.99875	3.1
184.79373	0.7
187.95732	0.7
193.05066	9.0
197.11826	2.1
198.43275	0.6
218.45685	0.5
241.10786	3.5
270.01782	1.0
271.02417	6.7
287.02008	2.7
309.06024	0.7
316.02264	100.0
317.03033	10.7
322.45255	0.6
479.08334	61.2
563.65991	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	789.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
60.21501	1.0
70.65774	1.0
71.01377	1.3
76.42175	1.0
82.79379	1.0
89.02415	1.8
90.42670	1.0
97.19678	1.0
101.02411	1.5
117.03455	2.3
119.05015	21.6
125.02443	18.0
138.74710	1.0
145.02950	100.0
146.03351	1.0
149.02554	0.9
151.00342	4.4
153.01846	1.7
161.04573	1.9
163.04004	21.8
167.03598	1.2
171.91466	1.0
175.06145	1.4
177.01787	1.5
177.20294	1.0
178.99809	11.6
179.03465	1.3
181.01457	1.2
201.05521	1.3
202.68208	1.1
215.04633	1.5
215.07181	1.8
243.06573	7.2
259.06104	80.5
283.06161	5.9
287.05603	54.2
301.07214	7.3
339.10852	62.3
342.10272	1.0
343.14139	1.3
421.11469	5.5
449.10910	52.6
449.20361	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	789.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.2
62.71571	0.9
63.58912	1.1
68.85519	1.1
83.01395	1.6
83.05045	1.2
100.70092	1.1
109.02946	7.9
123.04503	2.5
125.02448	100.0
137.02425	12.9
149.02425	1.2
150.03238	3.0
151.03983	6.5
161.02481	15.0
161.06145	1.3
163.03987	2.9
164.01180	2.4
165.01895	7.1
165.05544	7.4
175.04042	5.5
177.01935	2.7
179.03497	6.0
187.03941	2.1
203.07153	5.7
205.01384	1.9
205.04991	4.9
211.13496	2.5
229.05116	1.6
245.04463	2.4
245.08124	13.0
249.14879	7.7
255.02774	1.6
281.04514	2.0
285.03992	1.7
287.05521	1.4
289.07217	16.2
293.13898	5.1
315.08609	1.3
337.16586	7.9
339.08701	4.5
362.13614	1.2
407.07880	14.6
451.10471	1.8
455.17325	1.6
457.18887	2.1
467.17316	2.0
499.19724	19.0
575.19275	1.4
619.21844	8.0
637.23309	15.7
753.31421	5.7
789.27661	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11548	1.1
60.29792	1.2
69.03464	1.4
74.72372	1.2
80.91456	1.2
84.91635	1.2
99.08150	2.7
123.11813	1.8
150.26665	1.2
155.10800	11.3
167.10768	100.0
170.55978	1.2
170.96553	1.3
185.11870	5.0
211.09793	5.2
229.10803	81.3
263.12878	22.0
331.19073	4.7
364.58450	1.2
567.09821	1.3
704.45331	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	789.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04295	0.5
71.01382	10.9
74.02461	1.8
84.11291	0.4
92.19460	1.1
115.00326	5.8
117.03454	0.9
125.02411	0.6
133.01416	2.4
134.03738	27.7
149.06090	8.1
178.02763	4.3
193.05066	100.0
203.08226	3.6
223.24977	0.5
245.09326	4.7
246.09621	1.8
247.09938	0.4
264.62573	0.5
309.06177	18.1
697.31158	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	789.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75291	1.1
57.03444	1.1
59.01389	1.1
69.03446	1.1
75.49747	1.2
83.05036	1.4
97.02953	2.7
99.04537	2.8
109.02958	1.2
111.04484	1.7
121.06573	2.1
125.06065	1.8
136.05319	9.8
137.09698	1.6
139.07668	1.6
147.08139	1.4
147.11771	1.8
151.07649	73.5
151.11252	9.5
158.07405	2.2
167.07112	2.7
168.07921	23.9
169.08690	5.2
171.11775	5.5
173.09735	2.4
175.11209	2.9
179.07135	2.3
179.10747	1.8
184.08957	16.7
187.11275	5.8
189.12849	13.7
190.10056	1.2
199.11292	13.7
201.09245	1.5
202.09966	5.5
205.12347	35.8
215.10692	4.5
217.12325	43.0
223.14580	1.2
235.13336	6.1
243.10394	1.4
249.11337	1.6
261.11279	1.6
279.12387	100.0
441.87665	1.4
509.23730	2.0
692.30756	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	790.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.6
77.37952	0.5
91.05522	4.1
117.03471	6.7
121.02948	100.0
128.62727	0.7
134.75130	0.7
148.07657	4.3
163.04048	1.3
176.07140	3.9
190.08711	5.8
218.08238	2.5
236.09277	2.7
536.28168	0.7
538.05389	0.8
595.25470	15.8
717.29364	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	790.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98838	0.4
64.51225	0.3
72.04526	0.2
72.45538	0.3
74.55218	0.3
81.66164	0.3
85.02054	0.3
85.94205	0.3
95.25304	0.2
120.69839	0.3
121.02952	100.0
181.08495	0.3
182.53668	0.3
236.09207	0.4
393.22980	0.4
416.57663	0.4
419.36945	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	790.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98829	2.4
64.08955	1.1
64.97214	1.1
78.50965	1.2
93.36492	1.2
97.79449	1.2
106.86849	1.1
121.02956	42.5
122.03270	1.6
158.91833	1.1
195.67610	1.4
210.31038	1.7
583.33649	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	791.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21738	0.3
62.34058	0.3
71.01372	0.5
89.02444	1.5
122.03670	0.6
135.78900	0.3
160.48323	0.3
165.37952	0.3
167.07138	100.0
293.08810	1.3
329.12460	5.8
461.16681	21.1
677.39728	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	791.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.6
73.02949	17.3
81.95213	0.6
83.01382	1.5
97.02937	3.3
109.02936	7.9
117.05585	19.0
121.02952	3.9
122.03729	11.8
123.04524	5.4
125.02460	1.2
128.50056	0.7
137.02457	15.6
139.03972	1.4
146.03691	1.6
149.02446	3.5
151.04001	4.2
158.28941	0.6
159.04486	0.9
161.02440	1.3
161.06114	5.5
161.79724	0.7
162.03271	1.1
163.04048	3.1
164.01175	4.9
165.01933	38.3
170.44841	0.6
174.03279	0.8
177.05617	1.4
178.31641	0.7
179.03511	6.2
187.04031	2.7
198.57890	0.7
201.05524	1.3
203.07196	10.3
205.05096	17.7
221.08293	1.0
221.25656	0.8
231.02931	2.3
244.07396	0.8
245.08194	1.2
247.06068	4.6
288.06406	2.5
389.21170	1.2
429.20602	2.8
449.23169	0.8
509.26364	1.1
673.30090	3.9
791.36676	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	791.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39840	1.8
65.70406	1.8
69.34607	1.8
73.02953	27.1
83.01382	2.5
97.02937	2.7
105.98015	2.0
109.02943	18.2
110.05016	1.9
113.24180	2.2
117.05579	33.8
121.02953	18.7
122.03703	11.9
123.04537	4.0
125.02409	17.1
137.02458	33.5
139.03949	2.6
140.86371	2.1
142.23987	1.8
147.09370	2.0
151.03981	8.6
161.06073	2.8
164.01180	9.3
165.01900	35.2
179.03517	8.6
187.04076	6.8
188.04877	3.0
203.07184	20.6
205.05084	9.1
217.08598	2.2
221.08218	2.5
227.07126	3.4
245.08195	23.6
263.11127	2.4
287.95612	2.3
288.06396	4.1
289.07199	100.0
296.22122	2.0
353.28830	1.9
354.40802	2.1
673.30096	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	791.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09500	0.4
59.01382	1.0
71.05035	0.5
83.98344	0.5
97.06593	7.2
99.65626	0.5
114.51192	0.5
118.93713	0.5
121.06628	0.8
124.49352	0.5
135.22829	0.5
137.02423	0.5
139.07602	0.5
162.28392	0.4
165.12837	0.9
191.14429	7.1
203.14543	0.6
205.12340	0.5
219.13914	5.5
221.15479	95.4
222.15829	0.5
237.14938	11.3
239.16592	3.6
265.14462	100.0
525.23468	0.5
797.59888	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	791.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	1.0
85.47926	0.5
89.40900	0.4
90.66843	0.5
104.28394	0.5
121.02953	12.1
122.03236	3.0
125.02441	6.2
309.24222	0.6
311.22168	0.5
329.41113	0.4
329.45163	0.4
333.24371	0.7
351.25488	5.5
395.24399	100.0
791.46680	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	792.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09911	0.6
63.67932	0.5
72.99306	2.3
81.98091	0.5
87.99506	0.6
119.05022	3.2
120.04532	1.1
121.02948	100.0
147.04468	0.8
165.09145	1.1
174.79666	0.6
191.07137	0.9
210.09297	4.6
222.09131	1.2
238.08704	7.5
266.08167	6.1
284.09399	5.3
319.15518	6.4
361.16687	0.8
373.16608	2.8
403.17719	0.9
525.21460	6.7
603.43811	0.6
792.30457	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	793.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70708	0.5
56.98959	0.6
57.04586	0.7
59.01382	1.6
71.01379	11.3
74.39684	0.7
85.48193	0.8
87.27441	0.7
92.19440	1.2
115.00358	12.7
117.03468	0.9
119.05035	1.7
125.02354	0.8
133.01433	43.6
134.03743	39.3
142.99863	14.6
145.02914	2.7
149.06073	8.5
162.02979	0.7
163.04002	4.5
178.02687	3.1
190.31523	0.8
193.05070	100.0
279.05045	1.0
309.06171	20.8
339.10773	3.6
370.98016	0.7
483.11780	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	793.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
74.87075	1.2
103.47641	1.2
107.01401	2.6
121.02980	9.9
123.48566	1.4
125.22931	1.4
130.68042	1.2
151.00362	40.6
169.01488	1.5
178.99878	31.1
187.07684	1.6
219.66307	1.4
248.24077	1.4
273.04178	1.6
285.04034	2.7
301.03537	100.0
311.16541	30.8
325.31451	1.6
329.17599	41.6
452.21802	1.6
491.22925	43.0
598.56311	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	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51318	0.2
60.47731	0.2
73.02947	0.5
99.92583	3.5
114.93418	0.3
116.92854	100.0
116.97221	2.3
117.01937	2.6
199.18858	0.4
206.43098	0.4
206.65286	0.3
311.27588	0.3
367.46246	0.3
414.04510	0.3
438.12558	0.3
501.91461	0.3
541.13757	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	793.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72688	0.4
59.01384	100.0
66.55692	0.4
85.02951	0.5
92.19463	0.9
116.92819	0.7
121.02953	16.1
185.11884	0.5
375.03918	0.5
388.96854	0.4
517.77850	0.5
603.73206	0.6
793.50543	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	793.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01947	2.5
59.01385	100.0
63.41993	2.3
64.46226	2.5
64.92967	2.9
98.54285	2.9
103.19168	2.7
116.92830	3.5
121.02938	25.0
182.17046	2.8
255.98735	3.0
518.04144	3.2
657.00543	3.6
768.73767	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	793.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.52948	1.2
67.93461	1.1
79.73093	1.2
112.23017	1.3
116.39774	1.2
116.87828	1.4
121.02178	2.1
121.02967	30.5
133.36078	1.5
400.22507	1.4
485.68048	1.3
615.36053	1.6
638.09491	1.4
701.82501	1.5
822.76996	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	793.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.0
92.20102	1.1
152.19086	0.5
197.26706	0.5
211.07616	1.9
227.10782	100.0
283.13385	2.1
301.14471	13.2
338.98254	0.6
357.17041	2.2
360.17014	0.5
501.56082	0.5
566.52344	0.5
659.32385	32.1
733.36096	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	793.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.2
63.20326	1.7
74.57659	1.6
83.23618	1.6
96.32410	1.5
114.44675	1.8
120.83391	1.4
121.02905	1.8
153.12581	1.6
171.95786	2.1
186.11588	1.6
227.10780	100.0
301.14474	16.3
301.38519	1.8
313.03006	1.6
391.61697	1.7
659.32361	36.8
733.35687	10.5
788.81372	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	795.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
59.07119	1.6
71.01315	1.6
72.71624	1.5
75.27904	1.4
93.05189	1.4
98.77423	1.4
130.90311	1.7
147.04515	2.1
153.93210	1.5
161.02394	2.6
165.05540	7.0
287.22345	2.3
309.09763	2.2
316.19772	1.6
327.10782	1.8
437.29095	1.9
712.08710	1.7
795.30219	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	795.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20213	0.6
57.94442	0.7
58.01675	0.8
67.11595	0.8
68.23415	0.8
96.99210	0.8
99.92575	4.4
116.92862	100.0
116.97244	7.6
136.37361	1.0
311.23700	1.0
351.79068	1.1
396.42819	1.0
424.20520	0.8
596.81940	0.9
795.51440	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	795.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
63.47183	2.5
64.96048	2.4
83.36517	2.4
121.02957	4.3
156.85103	2.7
167.10817	3.5
171.10272	5.1
179.14403	6.4
186.24081	3.0
195.13879	29.8
205.12340	15.4
211.13463	5.6
218.32822	2.8
223.13402	100.0
223.15431	5.7
249.18512	5.2
253.09331	10.9
275.20200	5.6
279.18042	2.9
293.21262	69.5
327.21628	13.0
424.11472	3.0
459.22501	20.5
529.30231	4.3
545.29053	3.0
609.04028	2.9
735.43365	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36271	1.9
65.53970	1.5
72.99307	21.5
75.00877	31.1
82.96885	1.9
87.02141	1.9
94.36803	1.9
109.02937	2.0
114.81400	1.8
115.94514	1.7
118.99857	100.0
120.26646	1.8
125.02444	22.0
137.02399	13.1
139.04012	8.1
151.03969	1.8
161.02432	9.0
165.01941	11.9
177.01866	2.5
179.03500	3.6
181.05069	2.3
193.01418	10.9
193.05109	2.6
197.04576	13.4
203.07089	2.2
203.16222	2.0
203.31248	1.6
205.01486	2.1
205.04924	2.2
219.06841	2.1
225.04022	8.2
228.44812	1.9
229.11064	1.7
245.08110	7.2
289.07211	13.6
299.05164	2.1
326.42221	2.1
329.12323	2.5
387.07162	4.2
451.10419	3.2
463.09732	1.7
493.00378	2.2
493.07892	6.7
525.10022	2.1
645.12598	17.4
677.15167	15.4
721.14160	4.2
793.29016	2.1
822.23486	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	797.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
70.55075	0.9
79.27572	1.0
83.01384	2.4
92.19438	1.9
97.02918	2.3
109.02967	12.2
121.02948	2.0
122.03732	2.2
123.04523	9.4
125.02415	12.4
135.04485	2.5
137.02431	10.9
139.03970	2.2
143.05099	1.0
145.02902	1.5
149.02423	13.5
149.06062	1.3
151.03996	5.9
161.02403	5.8
161.06070	6.8
162.03183	1.9
164.96130	1.2
165.01923	8.4
167.03471	2.3
167.07118	6.9
173.06097	1.1
175.04042	4.3
177.01845	1.4
177.05608	1.1
179.03494	7.0
181.08727	1.7
187.03952	6.5
188.04759	6.4
193.08638	6.5
201.05562	1.5
202.06499	1.2
203.07130	18.4
205.05093	22.2
217.05112	1.3
219.10245	2.5
221.08177	2.7
227.07129	1.6
229.05038	1.5
231.02986	2.5
231.06549	1.2
244.07309	1.6
245.08191	26.6
247.06094	10.6
247.09914	1.5
271.06024	1.7
273.31989	1.1
285.07632	1.4
285.11096	1.2
287.09256	1.8
287.12668	1.3
289.07181	33.3
296.10547	2.3
297.11218	1.9
301.07318	1.6
310.08566	1.3
310.11996	1.3
311.09204	4.6
312.10071	11.5
313.10751	1.5
315.12201	2.2
327.12296	12.1
331.11908	1.4
337.10947	1.2
341.10327	1.5
341.13889	1.7
343.15424	1.5
352.13168	1.5
369.13449	2.2
453.11877	4.7
493.15063	2.3
617.20490	19.2
645.21918	5.4
662.83154	1.3
797.26727	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	797.2675
Annotation	Menisporopsin A
Peak:m/z	Relative Intensity
59.01363	2.2
71.01366	2.0
83.01402	2.3
88.61852	1.8
88.87277	1.5
90.35677	1.5
107.96967	1.7
109.02946	12.2
115.43010	1.4
121.02936	2.8
123.04508	13.0
125.02460	15.3
126.76973	1.4
137.02434	13.4
139.04028	2.8
149.02452	14.8
151.03966	6.4
161.02397	8.5
161.06085	7.9
162.03294	2.0
163.03978	8.7
165.01935	11.0
167.03471	2.3
167.07106	6.6
175.03958	2.8
177.01962	1.8
179.03497	3.6
187.04047	3.8
188.04735	3.2
189.05435	1.8
193.05048	7.4
193.08693	3.0
199.72194	1.5
203.07182	19.3
204.04227	2.8
205.05069	24.2
215.06934	2.0
219.10141	3.0
227.07204	2.4
231.03003	2.8
245.08218	28.1
247.06113	10.0
259.05981	2.7
271.06143	1.8
285.07538	3.0
289.07220	35.7
289.10403	2.3
301.07022	2.1
311.09140	2.1
312.10144	13.3
315.12326	1.6
327.12366	7.9
341.10400	3.5
341.14081	2.3
343.08170	1.7
361.41672	1.7
465.15445	2.8
467.13550	8.9
468.52051	1.8
493.15033	2.3
552.43317	1.5
617.20459	16.8
645.21826	6.9
797.26721	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	797.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40247	1.7
59.01375	2.8
60.58392	1.4
71.01363	2.1
78.94221	1.5
92.92945	1.8
97.02914	3.6
102.50601	1.5
103.78946	1.8
108.07173	1.6
109.02936	11.3
118.02734	1.8
118.76742	1.7
121.02944	2.4
123.04504	3.7
125.02447	9.7
137.02409	2.6
140.94263	1.5
149.02428	8.9
151.04018	2.2
159.62299	1.7
161.02441	3.5
161.06056	3.5
162.03157	2.1
165.01974	3.4
167.03496	1.9
167.07155	3.2
175.04086	2.2
179.03419	2.9
193.08731	3.1
203.07133	10.8
205.05035	14.7
245.08202	17.7
247.06041	8.6
273.11368	1.8
289.07098	31.6
311.09369	3.2
312.10095	19.9
327.12381	13.6
369.13550	2.7
449.59857	1.9
474.79578	1.9
645.22424	2.7
797.26819	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	797.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.34812	1.4
63.71801	1.7
84.44603	1.7
90.03566	1.8
100.59080	1.5
101.74881	1.8
113.02463	21.7
115.81292	1.7
142.54179	2.0
145.05081	8.5
525.22833	3.6
567.24683	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	797.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10797	0.5
61.34364	0.5
63.10794	0.6
74.97849	0.7
83.37319	0.6
92.20119	0.8
97.77437	0.6
121.02941	2.5
125.02449	2.4
130.71970	0.6
136.56360	0.6
139.31805	0.6
153.38145	0.7
158.98074	0.8
165.01910	0.7
167.10776	100.0
175.54626	0.7
208.49532	0.7
211.09770	16.2
265.87384	0.6
309.45578	0.9
422.28162	0.7
785.94232	0.7
796.11505	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	797.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	32.9
71.01375	12.6
77.65473	2.8
83.02511	12.8
84.00909	51.7
89.02447	22.5
94.42381	2.5
98.40362	2.5
101.02429	15.4
111.03462	2.6
113.02435	3.3
119.03484	3.8
177.24863	2.9
296.26047	3.0
532.47546	4.9
628.02130	3.1
648.34863	2.8
712.53766	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	797.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.3
60.38559	4.1
71.01380	16.6
82.95443	6.3
83.02502	7.2
83.52038	4.0
84.00922	49.1
84.01368	7.2
89.02443	20.7
92.20124	7.4
101.02438	8.9
113.02464	6.0
116.10979	5.2
122.74308	3.7
170.39186	4.1
170.65283	4.2
225.22333	8.0
253.66507	4.2
305.82434	4.4
532.47571	5.8
712.53864	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	798.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
62.86161	1.6
71.24599	1.5
78.13689	1.5
85.46467	1.6
85.59310	1.6
87.56734	2.1
101.09723	2.0
104.84770	1.7
109.02943	8.2
121.02975	2.0
125.02445	85.4
137.02444	20.6
149.02420	2.9
150.48544	1.7
151.04004	12.2
160.04051	4.0
165.01976	3.6
175.03989	8.7
177.01935	91.5
179.03490	6.8
187.04068	3.4
188.04861	2.1
203.07167	8.3
205.05042	9.9
215.03568	2.1
227.07133	1.8
229.05031	2.5
243.02911	1.8
245.08206	24.9
255.03008	6.5
256.03763	2.4
273.04068	6.9
281.04568	3.6
283.02716	2.6
285.04065	4.0
289.07169	43.1
297.03986	2.3
303.05066	3.3
339.08759	9.1
365.12845	1.8
381.09821	2.8
389.07001	3.1
407.07715	60.4
425.08820	69.5
441.08038	2.6
467.09650	7.1
593.13123	100.0
703.39063	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	798.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93948	53.9
63.01954	48.2
64.25693	58.9
65.22089	48.8
71.00356	64.1
82.94318	65.1
88.71387	52.9
101.69854	66.3
220.25627	62.9
224.26115	67.1
360.59827	59.3
798.28192	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	798.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48484	5.5
58.63738	4.8
59.22682	4.4
60.49774	4.5
69.68948	5.0
74.33692	6.1
74.64661	5.3
101.08311	4.8
118.58617	5.6
121.02953	49.6
122.58818	5.2
158.33827	4.8
171.35803	5.7
188.85873	4.7
190.08711	19.2
196.85794	5.4
236.09277	33.4
316.68417	5.1
361.16376	5.0
604.97186	6.1
631.06512	6.3
640.43097	5.9
798.29333	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	798.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.3
68.80325	2.5
71.53571	2.2
72.99291	4.4
86.58663	2.0
87.79552	2.1
107.06175	2.3
117.30190	2.5
121.02953	100.0
171.98691	2.2
172.49086	2.3
187.92725	2.4
190.08653	3.1
208.09799	29.5
232.09920	3.5
253.12173	2.7
472.24225	2.3
576.26385	3.2
676.29047	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	798.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43444	0.4
61.98837	100.0
126.01533	0.4
223.13318	0.5
224.13693	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	799.284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99316	2.8
62.00237	3.0
70.70370	3.3
74.26151	3.3
74.95364	3.3
81.65035	3.2
97.02942	4.0
101.02522	3.8
109.02972	33.7
111.42333	4.1
121.02961	7.3
123.04509	18.6
125.02450	22.8
137.02463	15.1
137.09727	5.4
139.04025	9.1
149.02432	7.0
151.04022	21.7
155.10780	28.6
157.06596	4.4
161.02440	26.8
161.06046	7.0
163.04021	19.7
164.01135	4.5
165.02003	5.2
177.01927	6.6
179.03516	20.3
198.46489	3.8
199.09727	24.7
201.05501	4.2
203.07173	16.5
205.05119	25.9
213.09198	5.3
245.08163	22.1
247.06186	8.4
255.06572	18.9
257.08298	8.6
289.07224	42.4
295.06100	5.3
361.15717	3.8
407.11499	8.1
419.11084	7.5
437.06870	3.4
437.12177	31.4
509.20493	6.9
763.29572	5.1
799.28827	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	799.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
71.01376	1.9
81.05008	0.3
83.01412	0.3
83.46250	0.3
84.47165	0.3
85.02954	0.5
89.02444	1.8
91.11223	0.3
91.55855	0.3
101.02409	2.3
105.51533	0.3
113.02445	0.5
119.03448	0.3
125.02467	0.4
133.02963	2.8
134.03693	0.5
135.04530	24.2
145.02992	0.5
161.02438	100.0
161.04620	2.5
163.03979	0.3
173.04509	1.3
178.02686	0.3
179.03496	20.3
183.57462	0.3
193.05165	0.6
193.07187	2.0
257.86966	0.3
260.31818	0.4
339.10715	0.5
341.08939	0.4
355.10355	89.2
443.19281	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	799.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	50.2
60.63946	1.5
71.01387	30.5
83.01392	1.8
85.02925	2.6
87.30624	1.9
89.02441	59.3
101.02441	21.6
109.02914	2.8
113.02456	13.0
119.03516	17.1
125.02464	2.9
149.02396	1.7
161.02402	2.0
161.04663	2.0
167.10760	11.3
179.05592	8.2
245.08295	2.7
285.18549	2.0
289.07257	7.0
347.17123	100.0
467.91339	2.0
799.28424	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	799.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71959	0.6
75.80508	0.7
78.95908	22.6
80.96517	0.6
83.05011	3.3
96.96960	8.2
102.07143	0.5
103.71269	0.5
116.92816	0.7
127.11277	1.0
152.99579	15.2
155.10742	0.6
163.11296	1.3
165.09258	0.9
165.12827	1.1
171.10231	0.6
181.91370	0.6
199.09871	0.8
201.11336	62.2
209.11833	63.0
223.00031	4.4
225.00798	0.7
227.13005	4.0
241.01192	39.9
255.23303	48.5
259.02246	4.9
297.03815	1.1
315.04767	0.8
428.53217	0.6
456.06848	0.8
799.42621	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	799.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.3
96.03892	1.3
101.02470	1.4
183.13872	6.2
200.12082	1.8
211.13408	100.0
277.21732	53.4
321.35547	2.0
351.71616	1.7
447.22360	10.0
707.44110	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	800.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
61.38200	1.0
76.57566	1.1
83.01376	2.2
89.52180	1.1
93.77079	1.1
109.02968	8.3
123.04485	4.9
125.02438	80.0
125.03353	2.6
137.02432	21.3
149.02455	2.5
151.04016	6.7
154.37576	1.1
161.02431	24.6
161.06038	1.8
162.03108	1.1
163.00342	1.7
163.04018	2.0
164.01129	1.2
165.01901	7.3
175.03987	7.0
177.01894	5.2
179.03487	7.5
187.03923	5.0
193.05077	1.2
200.78368	1.1
201.05621	1.4
203.07155	11.8
205.05049	11.1
215.03413	1.9
217.05202	1.5
220.94896	1.1
221.08212	2.1
222.07663	1.3
227.07080	2.7
229.05016	2.0
245.04454	6.6
245.08160	25.9
247.06142	1.4
255.03004	7.2
255.05991	1.2
256.03766	4.3
257.04639	1.3
269.04510	2.4
271.05991	1.5
273.04007	6.7
281.04547	2.7
283.02414	2.5
285.04016	4.7
287.05609	6.1
289.07169	46.9
297.04007	1.2
299.05554	1.6
329.06467	1.4
339.08813	4.5
407.07761	42.7
425.08832	41.5
450.62289	1.2
451.10358	7.3
463.98572	1.1
559.12109	1.7
577.13562	100.0
665.31543	1.4
765.07727	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	800.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.7
72.04546	14.5
72.99303	25.0
91.05523	1.2
105.07104	1.4
119.05030	5.3
121.02944	24.3
125.75706	0.7
132.08179	8.4
145.06653	1.3
146.06129	0.7
148.07637	1.0
156.53424	0.7
162.09264	8.0
163.03943	2.7
174.09235	7.3
176.07182	12.8
190.08778	2.8
192.10274	8.8
194.08224	8.1
218.08231	23.6
236.09285	100.0
252.18558	0.7
314.03867	0.6
321.80328	0.8
498.22784	0.8
548.23163	0.8
656.27008	7.1
698.28217	2.9
716.29718	2.4
740.28729	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	801.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	1.3
59.01388	10.1
59.61960	1.1
72.52161	1.3
84.72612	1.3
87.46079	1.3
91.88643	1.2
92.20175	2.7
97.74604	1.1
165.01904	17.6
191.40392	1.5
219.33847	1.1
276.55096	1.6
388.05884	16.9
403.08209	31.7
415.04504	10.2
503.07416	6.3
531.07111	4.6
532.08112	6.1
533.08820	1.3
545.08618	1.7
547.10480	38.1
561.11938	3.0
565.11493	5.1
579.13043	100.0
741.18878	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	801.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
87.09151	3.1
133.59517	3.8
141.26025	3.4
151.04037	4.8
165.01917	17.7
192.48161	3.2
244.89470	4.1
264.48532	3.8
286.04929	3.4
388.06143	7.6
403.08182	29.8
475.94595	4.6
503.08243	4.5
547.10498	28.7
579.13062	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	801.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
71.78666	1.1
79.30072	1.1
85.02956	1.1
87.00861	1.4
109.44415	1.0
111.00887	9.3
151.00323	4.6
178.99832	4.8
191.01974	3.9
203.08220	4.3
245.09256	6.1
255.02808	2.1
271.02411	6.0
300.02762	100.0
301.03540	36.0
409.82733	1.3
609.14722	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32454	0.9
71.01386	6.0
73.51920	1.0
78.61002	0.9
85.99940	1.1
115.00364	2.3
125.02443	6.7
125.68045	1.1
134.03726	13.0
137.02438	1.5
149.06096	21.8
150.10378	1.0
161.02446	1.1
165.83699	1.1
178.02704	14.2
193.05075	100.0
245.08058	1.4
289.07285	1.5
355.10403	15.8
407.07556	1.6
408.08099	1.4
426.09360	1.7
453.10486	8.6
471.11310	14.0
577.13434	1.4
578.13910	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	801.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20383	0.6
71.01376	11.9
88.23573	0.5
92.20046	0.9
115.00381	5.6
117.03467	1.4
125.02402	0.8
133.01456	5.6
134.02722	1.1
134.03740	27.7
149.06079	9.2
176.17999	0.8
176.89922	0.6
178.02711	3.6
188.59129	0.6
193.05067	100.0
216.78531	0.6
309.06226	14.4
338.40048	0.6
716.92535	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	801.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	0.9
74.23676	0.4
75.39575	0.4
85.02944	0.4
89.02438	1.0
101.02436	0.8
101.75910	0.4
117.03465	2.6
119.05016	15.6
122.03756	0.8
125.02394	0.6
145.02954	68.6
149.06081	0.7
155.03476	0.5
161.04552	2.1
163.04004	18.1
167.07133	100.0
175.06136	1.0
193.05090	3.8
193.07185	1.8
217.09532	0.5
225.00623	0.4
293.08707	3.0
315.45874	0.4
339.10855	44.7
341.08453	0.4
461.16690	36.3
491.10706	0.6
738.66693	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	801.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19972	0.8
95.05024	2.0
109.02948	21.9
122.03732	0.6
123.04517	48.5
124.01665	2.3
137.02472	0.7
139.03998	15.2
145.02919	2.1
150.03217	2.9
151.03989	17.4
163.04007	7.9
164.01151	22.9
164.02467	1.0
165.01930	1.2
177.02042	0.6
178.02673	5.7
179.03502	60.9
181.05040	2.3
193.05066	6.0
195.06630	3.1
232.21738	0.5
244.07468	0.5
278.10803	0.5
284.21323	0.5
285.26361	0.6
289.07318	0.6
303.08752	100.0
304.09146	0.6
334.35223	0.6
358.29889	0.5
371.31830	0.5
673.30945	0.5
699.76257	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	802.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.94942	1.4
63.19072	1.2
65.88808	1.4
72.99310	21.8
82.40908	1.2
92.19449	2.8
95.84042	1.4
105.33472	1.6
116.92862	1.8
126.43256	1.6
162.09232	2.5
190.08774	14.9
208.09798	97.3
324.48959	1.6
545.65485	1.9
640.31116	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	802.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
72.99309	5.4
73.52644	0.6
82.56208	0.7
112.42769	0.7
116.92846	1.2
125.02415	0.8
137.55705	0.7
154.07355	0.7
160.11612	0.6
190.08749	4.6
192.10349	3.3
208.09807	24.7
285.16257	0.8
334.43732	0.8
419.14859	0.7
658.32532	0.7
672.30463	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	802.3666
Annotation	Cycloaspeptide F
Peak:m/z	Relative Intensity
56.12315	0.8
59.01385	100.0
62.53244	0.9
64.54482	1.0
65.81110	1.0
72.99306	19.4
75.00880	1.2
75.36241	1.0
90.29815	1.2
91.05556	1.3
96.95990	2.0
116.92846	5.0
162.09204	1.3
190.08748	11.9
194.62666	1.4
195.21533	1.0
196.37112	1.1
208.09787	52.0
220.67256	1.1
264.88046	1.3
312.01041	1.2
405.37921	1.1
520.27429	1.5
580.29053	1.8
640.31158	25.0
682.32245	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	803.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	8.3
74.02457	0.9
77.30400	0.6
88.14130	0.6
92.47359	0.7
96.61505	0.6
99.82988	0.6
115.00349	3.3
126.30672	0.6
133.01364	1.1
134.03780	4.4
149.02434	5.8
151.00331	4.9
164.04794	21.1
178.99821	3.4
179.07140	3.7
203.08208	1.0
208.03795	9.1
223.06126	65.5
245.09337	3.6
255.02866	4.4
271.02420	6.8
300.02765	100.0
301.03522	36.1
339.07202	10.7
354.69824	0.7
388.59689	0.7
462.76349	0.7
463.08868	82.4
466.87256	0.7
552.58484	0.6
833.45313	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	803.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.9
61.68366	1.1
67.26577	1.1
76.20157	1.2
89.79489	1.1
109.02934	8.0
123.04527	6.7
125.02438	85.5
125.69077	1.5
137.02435	21.1
137.09726	2.6
149.02399	2.3
151.03992	9.4
161.02431	25.1
161.06062	2.5
162.03189	1.4
164.01173	2.4
165.01888	2.2
175.04050	10.2
177.01952	6.2
179.03493	8.1
187.04070	5.8
188.04695	2.0
191.03412	1.3
203.03558	1.7
203.07138	10.0
205.01476	2.2
205.04994	10.0
217.04958	2.8
219.06703	1.2
229.05133	2.6
243.02882	1.4
245.04524	6.5
245.08223	26.8
255.03050	5.8
256.03748	6.4
269.04593	2.8
271.06345	1.8
273.04318	1.8
281.04538	6.4
283.02576	2.0
285.04031	6.9
287.05585	6.8
289.07224	47.9
297.04160	1.8
297.07645	1.7
299.05487	1.7
339.08649	7.9
407.07703	44.7
425.08835	42.9
451.10361	7.9
491.87161	1.2
577.13623	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	803.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01372	1.6
61.35563	0.6
61.99617	0.7
62.03936	0.6
65.61279	0.6
71.57402	0.6
75.93204	0.7
78.37605	0.6
80.72366	0.7
83.01351	1.1
85.44554	0.7
87.24191	0.6
89.02400	0.8
94.73851	0.7
97.02946	1.0
99.82032	0.7
101.02423	0.9
109.02912	5.1
109.06585	0.8
113.02415	1.4
119.03476	0.9
122.02479	13.7
123.04504	3.9
123.50650	0.7
125.02437	100.0
133.01396	1.0
136.04024	4.1
137.02451	8.8
139.04015	1.1
149.02419	1.5
151.04013	5.1
161.02423	11.4
161.06104	1.3
162.03195	0.8
163.00330	1.2
163.03984	4.5
164.01138	2.9
164.03497	1.2
165.01924	7.8
167.03421	0.8
175.04053	5.0
177.01926	1.7
179.03450	3.7
187.03964	2.7
189.01912	1.5
191.03555	1.3
193.05048	1.7
199.09755	0.7
203.03551	1.0
203.07065	3.2
205.01248	0.7
205.05054	3.8
207.10202	1.2
215.03549	1.1
215.48485	0.8
219.03024	1.3
221.11710	1.0
229.05188	1.4
236.02089	0.7
245.04468	3.1
245.07990	8.1
255.02943	1.0
263.12808	3.9
265.14426	1.1
269.04626	0.7
271.13440	0.8
285.04041	1.3
287.05563	1.1
289.07187	12.7
289.14362	1.4
300.02954	0.8
307.11798	3.0
339.08771	1.4
341.07098	0.8
347.11206	1.5
351.14456	17.9
362.13843	1.0
377.16214	1.1
387.19473	0.9
407.07584	6.3
451.10150	1.2
513.17627	30.3
521.87152	0.8
633.19586	5.6
637.54712	0.8
651.20862	9.8
803.25610	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	803.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03425	0.4
65.95369	0.4
72.68082	0.4
87.00853	0.5
87.29772	0.4
101.02427	0.7
115.61018	0.4
133.02939	3.3
135.04524	22.6
149.60150	0.5
153.05582	2.3
161.02438	100.0
161.04593	3.0
163.04073	0.5
177.01982	0.5
179.03502	20.0
193.07170	1.9
217.21046	0.6
323.49258	0.5
355.10358	85.1
409.66574	0.5
645.07068	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	804.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
72.99313	1.1
78.78419	0.2
79.63607	0.2
87.57323	0.2
88.18141	0.2
121.02952	100.0
150.61462	0.2
183.11340	0.2
190.08736	0.5
202.45068	0.2
208.09773	2.0
285.78363	0.2
291.75339	0.3
327.23169	0.2
369.77765	0.2
392.30475	0.3
589.97412	0.3
643.81415	0.2
759.82599	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	804.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11850	0.2
58.49361	0.2
59.01385	4.4
63.38086	0.2
72.99302	0.6
78.74736	0.3
121.02952	100.0
134.98805	0.3
190.08852	0.3
191.04305	0.3
208.09778	2.2
341.89294	0.3
504.24155	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	804.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19886	1.8
59.01365	2.2
60.59426	1.9
72.99316	3.2
81.74995	2.3
111.04511	12.0
113.09706	3.2
115.07633	3.7
121.02953	100.0
132.04636	2.3
134.06093	10.4
207.49738	2.2
219.13898	3.3
232.13428	14.0
247.13394	35.3
253.70393	2.3
260.12918	3.8
265.14447	10.9
278.13983	16.9
316.69330	2.9
318.60541	2.6
361.16687	4.6
379.17487	2.7
501.21179	3.1
613.20691	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	804.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.7
61.39947	1.0
65.85353	0.8
66.29868	0.8
113.05857	0.8
121.02950	100.0
133.07846	0.9
135.85646	0.8
192.10316	37.1
288.78510	0.9
532.29083	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	804.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01445	0.7
59.01381	5.7
70.05485	0.8
71.19537	0.9
87.73314	0.8
95.69981	0.9
110.62836	0.8
121.02953	100.0
132.35759	0.9
141.04445	0.9
148.10017	0.8
192.10361	13.7
213.71107	1.1
295.39771	1.0
416.68686	1.0
584.95105	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	804.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
61.98848	0.6
66.52527	0.3
72.99310	0.7
87.48048	0.3
109.43755	0.3
113.18399	0.3
113.47020	0.4
121.02948	100.0
172.54239	0.4
178.46391	0.5
208.09814	1.6
419.52267	0.4
462.41586	0.4
678.57538	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	804.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
68.71030	0.5
72.99277	0.8
74.64409	0.5
103.78653	0.6
121.02948	100.0
147.83269	0.7
190.08681	0.7
208.09726	2.4
352.61258	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	805.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51637	0.5
70.45583	0.6
71.01380	16.3
102.79427	0.6
115.00368	7.6
133.01378	0.9
134.03712	9.5
147.04510	3.6
148.65858	0.6
149.02446	9.7
149.06061	1.4
164.04790	39.3
178.02759	1.0
179.07144	5.6
193.05049	31.9
208.03757	8.5
223.06119	100.0
309.06198	4.3
339.07193	16.7
397.78424	0.7
445.61029	0.7
473.12976	0.6
595.11639	0.7
767.26019	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	805.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62519	0.4
63.41271	0.4
71.01378	6.0
89.02438	0.4
90.59747	0.4
90.87759	0.4
92.19413	0.9
95.95808	0.5
101.19800	0.4
114.89581	0.5
115.00369	16.8
119.05020	24.5
133.01433	100.0
151.04312	0.4
163.04013	51.1
214.72458	0.5
219.70901	0.5
279.05084	18.0
390.28769	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	805.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.61581	0.7
82.74073	0.7
92.92120	0.8
98.51685	0.8
107.41394	1.0
121.02962	3.1
165.01897	1.0
179.74734	0.8
269.04526	4.4
379.21906	0.8
606.16211	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	805.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
96.20093	0.5
154.08313	0.4
165.01978	0.7
285.04135	0.6
341.69806	0.6
409.24649	0.5
660.46320	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	805.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.61581	0.7
82.74073	0.7
92.92120	0.8
98.51685	0.8
107.41394	1.0
121.02962	3.1
165.01897	1.0
179.74734	0.8
269.04526	4.4
379.21906	0.8
606.16211	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	805.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.34222	0.5
80.39592	0.5
97.06575	0.6
104.33350	0.6
121.10226	10.4
125.09713	7.4
141.12906	1.1
185.11824	16.2
197.11839	3.3
209.11969	2.5
211.13431	2.6
223.13353	1.1
247.20607	1.1
249.18875	0.6
258.89386	0.6
273.18661	0.6
277.21771	7.3
291.19687	100.0
309.26489	0.5
316.11307	0.6
343.30698	0.6
366.74078	0.5
521.88324	0.7
797.26709	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	805.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73909	0.7
59.01394	0.8
72.76265	0.6
89.02436	1.7
101.02435	1.7
109.34736	0.6
113.02425	1.3
118.37086	0.7
130.99713	0.8
195.13937	12.8
196.14644	1.5
205.12346	0.9
223.13452	8.9
235.07964	0.9
253.09290	17.0
256.13126	1.3
259.55554	0.8
275.20178	9.3
293.21249	100.0
309.33572	0.9
362.37057	0.8
385.78635	0.7
509.61465	0.8
529.30145	8.0
569.41956	1.4
617.25116	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	805.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79967	0.8
59.01383	16.5
59.99409	0.9
60.84621	1.0
81.63991	0.9
101.02439	2.1
107.46414	1.1
113.02486	1.3
161.04587	1.3
189.76865	1.1
205.19740	1.2
223.99109	1.0
249.18594	50.5
249.21140	2.0
253.09200	2.0
268.84421	1.4
277.21741	100.0
393.75519	1.1
429.95319	1.1
513.30762	4.5
516.28784	1.0
729.35571	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	806.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.5
64.40827	0.4
64.43266	0.4
107.32447	0.5
121.02950	100.0
179.68333	0.4
183.70552	0.5
192.10300	2.4
309.52939	0.5
446.23453	0.6
506.25671	0.8
507.48996	0.5
560.52637	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	808.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	57.5
63.96314	0.8
64.50835	0.9
69.27580	0.9
72.99302	8.5
75.00869	1.1
78.81657	0.9
87.23509	1.0
92.19391	1.0
97.03004	1.1
118.06630	1.9
121.02953	100.0
125.02430	5.8
130.39291	1.0
134.06123	5.6
162.05647	7.7
165.09221	2.3
180.06662	54.8
222.07805	2.1
229.12274	4.4
261.88892	1.2
284.85062	1.1
313.14520	1.6
319.15417	9.2
325.14413	1.5
331.11224	0.9
331.15390	1.5
343.15405	3.9
361.16528	0.9
373.16605	1.8
377.95996	1.0
403.17801	2.3
428.34482	0.9
452.50598	0.9
525.21423	10.3
536.22424	1.9
566.23950	2.2
596.24695	2.3
621.43146	1.0
658.26514	5.3
688.27771	41.5
734.81024	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	808.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.6
59.14107	1.1
72.99308	2.1
85.02891	1.7
91.46466	1.4
100.12926	1.4
110.95918	1.2
111.04517	10.6
113.02449	2.4
121.02955	100.0
125.02405	1.5
134.06139	4.9
144.04628	1.6
148.07655	1.4
149.06161	1.3
150.95407	1.5
171.44878	1.2
176.07176	14.4
204.06683	5.3
219.13870	4.8
222.07729	18.5
246.07693	2.4
247.13420	27.2
264.08780	2.5
265.14499	9.8
266.28061	1.3
357.68314	1.4
361.16568	6.4
379.17453	1.3
391.17575	7.4
396.30200	1.4
501.21295	16.3
513.89044	1.5
543.22186	7.1
596.25085	1.4
646.35193	1.4
656.67902	1.4
727.97040	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	808.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21507	0.6
61.75895	0.7
63.15533	0.6
75.66834	0.6
85.77050	0.6
97.66640	0.6
129.30124	0.7
141.50941	0.6
251.23801	55.0
255.23289	5.0
259.79297	0.6
295.22787	30.0
313.23871	100.0
480.31342	3.2
790.05359	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	809.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78480	0.4
63.86877	0.4
67.01595	0.4
107.23528	0.4
112.39311	0.5
124.07671	6.3
132.04559	17.5
133.05333	17.3
134.06136	1.8
150.05566	0.4
165.04291	4.8
176.03571	0.7
177.04300	6.3
178.05072	2.0
209.03322	2.2
214.12422	1.6
215.11916	3.7
229.09767	1.8
237.29483	0.4
241.09799	2.0
245.09192	0.6
257.12982	26.6
283.10901	9.4
285.08813	0.5
300.02765	2.5
301.11932	14.7
327.10043	0.6
345.10934	100.0
463.08936	0.7
559.82208	0.5
751.70996	0.5
823.17346	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	809.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	0.5
59.01384	7.0
59.25471	0.8
62.46304	0.6
67.37968	0.6
75.00854	3.6
75.15411	0.7
92.19400	1.4
92.81084	0.7
96.33511	0.8
96.95997	1.3
97.02962	1.0
113.21854	0.7
117.01915	0.8
119.05033	0.9
121.02951	100.0
135.04454	0.8
151.53772	0.8
163.03967	0.9
165.09236	1.3
181.05064	1.6
223.06096	4.0
313.14307	1.2
319.15524	19.0
343.15442	1.0
361.16669	1.8
373.16534	1.5
403.17380	0.9
525.21399	31.8
583.21832	1.4
689.26245	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	809.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13042	2.8
61.08962	3.2
72.60625	3.1
85.25959	3.0
94.98037	3.5
121.02950	100.0
175.48631	3.2
260.26926	4.0
319.15585	15.5
525.21228	28.0
639.47382	4.7
689.26410	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
78.42462	0.2
78.91690	0.2
82.19662	0.2
102.39104	0.2
117.03484	0.5
120.23608	0.3
145.62735	0.2
149.02422	1.1
151.00349	1.0
213.19872	0.3
225.05580	0.6
248.16628	0.2
269.04553	100.0
309.74692	0.3
673.09851	0.3
794.49103	0.3
798.39783	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	809.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.00145	0.9
59.01387	17.3
59.14791	0.9
71.01366	4.5
79.40657	0.9
83.01386	1.4
86.95911	1.0
89.02428	2.3
97.06602	2.0
101.02438	6.1
113.02425	2.2
116.92815	2.2
119.03471	1.5
122.27676	1.0
125.02422	1.2
125.09680	5.5
137.09712	1.5
141.09192	1.3
161.04564	1.8
161.58405	1.1
163.11246	4.7
165.12863	1.3
167.10712	6.5
171.10286	1.2
177.12703	1.5
179.10828	2.0
179.14388	5.9
185.11813	7.3
191.14430	5.7
195.13925	18.0
205.12341	16.0
209.11823	11.0
223.13394	100.0
225.11273	2.6
237.11209	2.0
245.19096	11.7
253.09311	6.5
263.20102	1.6
289.18088	32.6
307.19138	27.2
349.41934	1.2
367.62656	1.1
441.21109	1.6
459.22409	13.3
513.32367	2.4
515.19092	1.2
523.55408	1.2
525.27356	1.7
543.28180	1.9
633.32880	23.4
635.36841	1.4
651.33765	12.1
713.39197	6.3
731.40057	12.1
749.41449	17.6
758.48932	1.2
773.10620	1.2
809.46704	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	809.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
59.92638	0.2
60.71531	0.2
68.86980	0.2
71.01395	0.3
78.75634	0.2
84.51604	0.2
113.09714	1.2
148.47678	0.3
178.07840	0.3
179.14397	1.0
181.12312	0.4
195.13918	18.0
223.35710	0.2
251.23698	0.3
277.21747	22.1
295.22797	100.0
322.41965	0.2
395.77676	0.3
429.97986	0.3
514.66785	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	810.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.5
63.27420	1.0
70.71508	0.9
72.99304	34.7
91.05508	2.5
97.02930	1.7
104.05033	1.6
109.02951	2.1
111.04490	2.5
119.05008	28.3
120.04554	11.4
121.02946	85.0
121.06602	2.5
123.04517	2.2
124.70191	1.2
127.52839	1.1
132.04547	10.6
137.06088	2.0
137.09740	2.0
138.08139	1.1
139.04021	1.4
139.07684	5.2
149.06059	2.4
149.09740	1.4
151.04135	1.3
151.07603	1.5
165.05547	1.1
165.09251	4.7
167.07214	1.6
175.04018	1.3
176.04858	1.6
177.12878	1.6
190.06215	1.5
191.07123	12.1
193.05049	1.6
193.08702	4.5
193.12282	1.5
194.05821	1.2
196.60612	1.4
203.10699	2.2
204.06601	7.6
210.09290	20.2
219.10210	4.7
221.11696	1.8
222.09181	13.3
238.08727	51.5
266.08182	27.0
284.09286	100.0
308.09167	4.5
313.14536	1.9
326.06430	1.7
326.10336	52.1
331.15613	23.6
332.81934	1.5
349.16763	4.6
373.16357	1.7
421.18729	1.9
462.34238	1.2
598.24908	2.8
602.50787	1.3
616.25989	11.2
628.25421	6.3
658.26874	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03759	0.5
57.99328	0.5
59.01381	3.1
60.21984	0.5
63.62072	0.5
69.03451	0.5
70.99754	0.6
71.01366	0.8
72.99306	4.2
75.00879	0.8
85.02958	2.8
85.39397	0.6
91.05538	1.0
97.02985	0.6
99.00856	0.7
102.03494	1.5
104.05064	3.2
111.04520	12.1
113.02434	4.0
117.03453	0.8
119.05013	3.9
120.04511	1.4
121.02946	100.0
123.08199	0.7
125.06044	0.7
132.04526	6.6
137.09688	0.8
139.04027	2.7
147.04535	2.8
161.06221	0.6
163.04012	1.1
165.09216	0.8
177.09207	1.0
201.12871	1.0
204.61537	0.7
210.09251	13.1
211.07713	0.6
219.13863	4.0
220.07686	1.0
222.09238	0.9
225.95886	0.7
238.08722	40.1
247.13377	34.2
265.14496	9.9
266.08215	11.1
284.09277	13.0
308.09372	3.4
313.14529	0.9
317.13928	1.1
326.10336	1.2
361.16605	7.2
379.17715	1.3
391.17773	7.8
397.18423	1.1
501.21237	8.2
543.21991	0.7
647.24762	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	811.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44836	0.4
58.02980	3.5
70.02981	8.4
72.04553	0.7
74.02476	36.1
84.86304	0.5
98.02479	7.0
109.02943	2.3
116.03538	20.5
116.05043	6.9
123.04514	1.0
125.02368	0.9
142.06612	0.7
149.02441	0.9
151.04021	1.0
159.09258	2.4
161.02464	3.2
163.04024	3.0
165.11147	0.5
183.09254	0.5
201.10332	5.3
203.08296	63.9
205.05048	1.9
245.09314	100.0
247.93452	0.5
261.87354	0.6
270.05475	0.7
270.68570	0.5
280.26154	0.5
285.07562	0.7
289.08337	4.5
289.16806	0.7
312.88779	0.5
377.18231	0.5
437.12286	2.1
449.12485	2.7
450.95081	0.5
467.13431	12.2
766.36304	0.6
811.28577	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	811.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48248	0.4
57.89147	0.4
59.01393	1.1
61.98837	100.0
69.20528	0.5
92.19456	1.2
92.63455	0.7
111.31363	0.5
121.02979	2.4
122.03288	0.5
130.83568	0.5
142.46704	0.5
155.07028	0.5
167.53227	0.6
180.06667	0.8
691.28638	0.7
791.52924	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	811.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.8
67.25304	2.0
71.01368	4.3
71.05013	2.2
89.02428	3.9
92.20037	3.5
93.23255	2.1
101.02426	3.2
111.08141	16.6
116.35989	2.2
116.92869	4.5
119.03521	2.5
139.26196	2.2
167.10721	3.2
169.12271	5.4
179.14363	3.1
195.13879	13.3
197.11844	79.6
205.12349	13.0
211.13457	11.8
223.13391	100.0
235.08176	9.5
253.09338	22.3
263.20078	4.4
291.19598	23.3
306.07217	2.7
309.20709	51.5
459.22528	19.8
515.34143	3.0
527.28302	4.5
542.22461	2.6
545.29620	11.7
565.83551	2.4
751.42902	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.45
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94506	5.8
98.76134	6.3
108.11961	6.4
111.08106	6.8
136.81841	7.7
162.19362	6.2
195.13814	9.1
197.11861	77.0
205.12251	11.4
207.68510	6.9
218.73198	6.2
223.13438	100.0
291.19595	7.8
309.20728	47.5
459.21909	22.1
544.80743	6.8
545.30103	11.0
582.54578	7.1
751.43030	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41653	0.8
61.98836	100.0
73.16017	1.0
95.72458	0.8
111.14855	0.9
111.92715	1.0
121.02917	6.2
145.87082	0.8
152.09192	1.0
191.42979	0.9
239.85222	1.0
309.13708	1.0
347.50528	1.2
448.88901	1.0
648.15887	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	812.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96425	0.4
59.01402	1.9
61.98836	100.0
64.59076	0.5
103.52721	0.5
116.29146	0.5
121.02947	19.5
121.03773	0.8
122.03303	5.5
123.03558	0.7
141.25403	0.5
177.01981	0.5
230.00420	0.6
292.75485	0.6
319.15750	1.2
320.15912	2.1
321.16235	0.8
526.21954	2.8
527.22217	2.8
528.22168	3.4
586.23132	0.5
625.49158	0.5
657.28741	0.5
692.27124	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	812.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.2
74.01902	4.3
74.55297	3.2
86.73131	3.5
111.81514	3.3
121.02950	57.5
130.78943	3.3
204.10304	14.0
228.40024	4.0
231.32948	4.5
247.13402	7.8
250.10844	36.8
292.12030	6.3
427.33209	3.7
501.22168	4.2
624.27905	15.1
810.28864	4.8
812.30621	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	813.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.96978	1.1
68.16214	1.0
71.33906	1.1
121.02951	26.4
133.30145	1.1
756.09143	1.4
813.50110	1.5
823.40436	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	813.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.3
71.01379	8.9
71.82026	0.7
73.02956	1.9
82.67494	0.8
83.01408	1.3
85.02959	3.5
89.02454	5.7
101.02447	9.8
113.02438	5.0
119.03478	3.1
125.02409	0.9
132.14882	0.8
181.12337	4.3
199.13419	6.1
267.15955	1.0
273.18607	10.0
274.12167	1.8
317.17526	10.2
321.59238	0.8
343.24976	1.0
356.00662	0.8
361.18741	100.0
773.11926	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	815.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
59.01385	100.0
63.81268	0.9
70.88255	0.9
71.01384	27.8
71.12292	0.9
72.66656	1.0
80.34727	1.0
85.02939	6.7
87.00853	1.3
89.02444	56.7
89.32422	1.0
95.01404	1.3
101.02446	20.0
107.91741	1.0
108.11996	1.1
109.02997	1.3
113.02444	17.1
114.01311	0.9
116.92826	2.0
119.03495	19.2
125.02433	17.1
131.03497	1.2
137.02397	1.6
143.03510	5.0
151.04010	1.3
161.02481	1.3
161.04555	7.6
165.01973	1.6
179.05609	54.1
205.05078	1.2
214.66516	0.9
233.11848	5.1
245.08121	1.8
289.07132	2.0
311.16602	6.9
353.17590	3.9
363.18048	1.3
371.18671	9.4
407.07910	1.3
413.19742	6.1
431.21161	1.4
473.21786	1.5
525.21405	2.1
634.95306	1.1
645.23444	1.4
653.27600	7.1
663.25421	1.6
713.30505	4.2
815.28278	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	815.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80867	1.0
65.60916	1.0
66.90244	1.0
67.26203	1.0
88.69864	1.0
90.20830	1.2
97.01363	1.1
125.02449	1.3
139.25993	1.0
140.49030	1.2
191.14442	100.0
235.13403	33.6
279.12402	39.3
289.07178	1.7
432.73492	1.1
740.25519	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	816.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	74.0
66.65184	1.3
84.95918	2.0
125.02500	2.3
147.04492	2.8
192.08548	3.2
192.10316	100.0
201.05542	2.9
209.08278	2.2
341.13828	1.8
359.15067	2.3
607.88885	1.7
630.29187	5.6
672.30353	90.4
714.31616	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	817.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56801	1.0
74.65512	0.9
95.64719	1.1
107.05015	10.0
107.51120	1.0
109.02934	3.7
121.02908	1.7
125.02417	23.0
133.06575	6.3
137.02432	5.2
149.06064	21.3
151.04019	2.1
161.02486	7.6
167.03354	1.5
167.36668	1.2
177.01935	1.8
177.05553	26.7
179.03494	59.5
180.00703	1.2
187.03964	1.3
195.06589	6.4
203.07051	1.7
203.84187	1.0
205.05052	2.5
239.05608	100.0
245.04437	1.3
245.08214	7.8
255.91370	1.1
289.07239	10.1
339.08859	1.6
407.07709	20.3
425.08563	17.5
451.10358	2.1
577.13550	39.6
661.23761	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	817.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.0
83.76799	0.3
99.88995	0.4
109.40900	0.4
115.00343	4.9
117.03462	2.3
124.07652	0.5
132.04568	2.7
133.01396	0.6
133.05328	2.4
134.03746	27.5
140.32773	0.3
149.06091	9.0
163.03905	0.4
165.04268	0.6
177.04277	0.3
178.02698	4.8
178.05151	0.6
193.05072	100.0
225.02579	0.4
257.12961	5.8
283.10922	2.3
301.11935	3.7
309.06192	12.5
345.10907	7.9
433.25500	0.4
507.16144	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	818.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21196	0.6
67.40189	0.6
69.03452	0.8
97.02956	1.0
121.02951	100.0
165.09212	4.5
177.90327	0.7
191.07269	0.9
233.11983	0.9
245.50511	0.8
282.77814	0.9
313.14651	0.9
319.15497	21.9
361.16492	0.8
373.16742	2.9
403.17441	1.4
525.21362	37.8
545.60156	0.7
644.97833	0.7
728.17108	0.8
758.31647	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	818.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.9
62.00912	1.0
66.37313	0.9
94.00508	0.9
104.12788	1.2
115.57473	0.9
142.08186	1.0
145.27979	1.0
162.28369	0.9
227.10791	100.0
269.11893	1.4
297.67648	1.1
301.14465	10.9
338.17688	3.9
640.32678	12.8
684.31927	26.2
714.36273	7.7
758.35974	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	818.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07819	0.9
82.06618	0.9
82.54192	0.8
87.05631	3.6
127.08724	1.2
129.10338	19.4
130.08711	4.1
135.01801	0.8
139.08720	3.1
140.07176	9.0
146.06105	4.0
155.08284	7.6
164.09532	1.1
165.10291	9.6
182.12982	1.1
182.15416	1.2
183.11360	5.5
197.16586	1.3
200.14052	11.7
207.15036	36.5
208.13382	1.3
224.17735	7.9
225.16164	9.8
226.11913	1.1
241.13445	8.0
242.11971	7.7
242.18741	30.5
259.14526	15.3
265.13947	0.8
268.16586	3.7
268.20267	1.2
270.21655	0.9
276.17123	5.2
295.21399	22.4
310.24936	1.4
312.17120	7.7
313.22491	18.2
329.19791	4.4
330.18216	8.7
337.22403	1.5
337.26132	27.3
347.20850	4.4
355.27191	14.9
365.29141	1.1
371.24509	5.4
381.24567	1.1
381.28848	1.3
389.25601	4.6
426.31088	1.1
443.26639	3.6
450.34622	1.7
468.35449	4.2
494.37210	1.3
539.39081	6.0
573.37964	3.4
615.42529	1.1
782.52002	94.9
818.49713	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	818.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
85.82092	1.1
87.05610	3.0
104.74548	1.2
113.48738	1.2
129.04297	1.3
129.10332	18.7
130.08786	2.1
139.08754	2.4
140.07201	9.0
142.99556	1.2
146.06122	2.9
155.08284	6.0
165.10313	8.4
183.11392	5.0
197.16600	2.0
200.14049	16.1
207.15038	29.3
224.17592	3.0
225.16086	6.6
241.13457	6.7
242.11859	6.5
242.18764	28.4
254.07248	1.3
259.14517	16.6
268.20303	1.3
276.17197	5.7
277.21655	1.4
294.25357	1.8
295.21368	20.9
299.20142	3.1
312.17181	7.6
313.22437	13.9
329.19913	2.3
330.18311	6.4
337.26111	19.4
339.20572	1.8
347.20892	2.0
355.27267	13.1
371.24414	1.9
389.25281	3.1
450.34354	1.8
468.35709	1.9
485.84299	1.3
539.39435	2.2
539.91089	1.5
573.37976	2.6
641.74750	1.6
782.51996	100.0
818.49731	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52717	0.4
62.49453	0.4
63.56931	0.4
69.12276	0.5
71.01368	3.1
71.48240	0.6
75.31209	0.5
97.15257	0.4
115.00354	4.5
118.82682	0.5
119.05012	4.9
125.02438	0.6
133.01431	21.0
134.03729	4.5
137.02344	0.5
149.02396	0.7
149.06068	1.1
163.03983	11.4
164.04811	3.0
170.39017	0.6
178.02620	0.7
178.99840	2.6
193.05078	20.7
194.05394	3.9
223.06117	5.5
248.86481	0.5
270.01721	2.2
271.02429	4.4
279.05112	3.6
287.01865	1.1
288.02722	0.7
309.06201	1.9
316.02249	100.0
317.03061	11.9
336.92990	0.6
479.08340	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	8.1
115.00372	20.3
119.05028	23.3
123.41610	1.1
133.01430	100.0
134.03720	2.4
163.04012	53.9
167.78976	1.1
193.05052	10.1
279.05115	15.9
309.06104	1.4
374.97549	1.1
453.76273	1.1
478.97366	1.2
599.04077	1.3
631.87262	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	819.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
59.51117	0.4
60.01727	0.4
60.20381	0.5
63.56004	0.4
63.84316	0.4
71.01394	3.1
71.23935	0.5
81.36142	0.4
89.02452	6.1
90.02210	0.4
94.81293	0.5
99.00897	0.7
125.02428	3.2
181.08711	100.0
195.79018	0.4
233.06645	0.8
293.08746	6.4
343.14148	3.7
475.18246	35.7
619.26398	0.5
642.39648	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	819.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	74.3
59.01691	2.5
59.72801	1.0
62.02811	0.9
71.01383	72.9
72.99306	2.1
85.62124	1.1
88.98776	1.0
92.20078	1.7
101.02417	1.2
109.02914	1.1
119.05000	5.2
127.89489	1.2
147.04520	59.2
149.66258	1.1
164.26311	1.1
165.05566	100.0
219.06599	12.6
309.09839	30.7
327.10907	4.0
345.16904	1.6
389.19742	86.3
699.30530	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	819.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.0
59.01383	46.4
59.54628	1.0
60.81584	0.9
90.01977	1.1
100.27850	1.1
105.26089	1.2
121.02951	100.0
150.62727	1.3
321.36301	1.1
629.63495	1.4
819.34473	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	819.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
70.67678	1.2
83.02508	5.2
88.25000	1.2
89.02443	2.3
92.20139	2.7
101.02438	6.7
109.06561	5.6
113.02480	1.6
119.04962	1.7
127.07646	1.5
145.06458	1.6
167.10800	2.9
195.13957	14.6
196.14703	1.5
206.52571	1.2
223.13342	8.5
235.08330	2.8
245.19093	8.2
253.09323	15.9
275.20117	9.3
287.16348	1.6
289.18103	100.0
293.21228	86.7
293.24573	1.3
307.19064	6.2
383.73148	1.3
397.34351	1.2
525.27051	14.6
529.30328	4.8
543.27917	1.9
801.47717	2.6
819.49213	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	821.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
76.67315	3.8
86.72664	3.7
92.19384	7.3
101.02467	8.0
104.31796	4.0
105.76866	4.3
111.08140	7.6
195.14000	9.5
197.11832	59.9
211.13408	6.3
223.13332	6.1
247.74104	4.2
253.09363	30.4
291.19604	9.3
293.18207	5.6
293.21243	100.0
309.20734	61.1
331.82788	4.3
355.01559	4.3
402.04019	4.3
404.54337	4.2
522.29358	4.4
545.29639	5.6
661.73547	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	821.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.4
66.23153	1.5
71.01396	1.9
71.20142	1.3
73.79630	1.2
78.71790	1.3
80.45966	1.2
85.02080	1.4
89.02426	2.9
89.18555	1.2
101.02427	8.8
111.08147	12.4
113.02444	2.6
128.08759	1.3
161.04611	2.1
165.12926	1.4
169.12328	6.5
171.10197	1.5
174.42281	1.3
183.13969	1.6
195.13966	13.2
196.14711	2.2
197.11845	60.9
197.66872	1.3
199.13379	2.3
204.33713	1.6
207.37215	1.5
211.13425	14.6
223.13379	8.3
245.30370	1.4
253.09303	33.3
263.20016	1.9
275.20221	9.9
291.19608	16.7
293.21249	100.0
309.20721	58.9
438.83044	1.5
492.22934	1.5
498.72379	1.6
529.30103	7.1
545.29883	9.3
585.41620	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	821.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.6
59.07552	5.1
61.71680	5.2
63.27497	5.2
88.82555	4.9
101.15074	5.2
105.55692	5.9
187.81248	5.6
194.12552	5.3
195.13881	11.3
210.85139	5.4
223.13269	5.9
233.29944	6.2
242.93825	5.3
249.18614	100.0
253.09125	8.9
275.20303	22.4
293.21249	81.4
529.31006	6.2
610.94635	6.1
853.88336	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	821.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87438	7.6
60.82763	6.5
61.09075	6.2
67.06781	7.1
72.35600	8.9
78.93222	6.8
144.21156	7.0
202.18350	7.9
263.35156	8.4
267.19623	30.8
285.20749	100.0
442.58014	8.0
701.97968	7.5
821.61621	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98835	100.0
71.01395	1.3
78.23447	0.3
79.35300	0.3
91.33314	0.3
98.09626	0.3
121.02970	0.4
147.04488	0.5
165.05603	1.4
166.05998	0.4
167.06180	0.3
201.93846	0.4
226.44380	0.3
291.25607	0.3
310.10031	0.4
390.20087	0.6
434.78372	0.3
595.26617	0.3
746.05798	0.3
822.31268	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	822.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	67.2
64.45732	1.1
67.84880	1.2
70.74498	1.2
71.41354	1.2
72.99314	12.0
75.00870	1.3
110.49922	1.5
117.97243	1.2
121.02953	100.0
132.08173	2.5
148.07703	2.7
165.09187	3.3
170.04865	1.5
176.07153	7.4
194.08221	54.8
229.12300	1.4
236.09148	2.4
299.12234	1.8
319.15509	11.6
325.14514	1.7
343.15329	5.6
361.16406	1.4
373.16483	1.9
403.17514	6.7
404.34125	1.6
412.90384	1.6
448.23996	1.4
525.21356	7.7
580.25586	7.1
672.28723	2.3
702.29443	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82299	1.7
61.98829	2.5
65.61693	2.4
72.99341	2.6
73.02950	1.9
111.04506	10.2
113.02463	2.4
121.02952	100.0
134.06113	4.6
172.89264	2.3
181.50159	2.7
190.08801	18.1
218.08290	4.3
219.13992	3.2
236.09392	21.7
247.13412	24.0
265.14413	10.6
278.10583	3.4
353.66602	2.3
361.16718	2.6
391.17569	8.3
501.21368	20.3
543.22247	8.2
852.85187	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	823.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52137	1.1
61.57751	1.0
63.86087	0.9
74.14808	0.9
75.14339	1.2
77.65532	1.0
87.94467	1.0
88.85750	1.1
92.19508	1.2
100.84681	1.2
101.34512	1.1
101.61192	1.2
112.58806	1.1
116.85546	1.2
121.02977	1.5
148.89938	1.1
187.07649	5.7
241.12315	11.2
269.15262	1.5
311.16528	100.0
313.18027	1.7
329.17587	99.2
331.19202	4.0
493.24530	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	823.471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87007	1.4
59.01368	10.0
64.95412	1.6
71.01379	8.0
72.06056	1.6
81.68753	1.5
87.00947	1.8
89.02433	10.0
92.19440	2.9
97.06577	1.8
101.02419	6.6
113.02418	1.8
116.92854	42.8
125.02438	3.0
125.09711	80.7
132.86827	1.8
150.92032	1.6
168.29974	1.8
169.08615	2.9
177.97963	1.6
187.09755	94.4
221.06674	3.6
227.26024	1.6
255.23253	27.3
282.95880	1.7
451.60684	1.7
535.40045	1.9
585.23871	2.0
823.47119	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	823.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65624	1.8
59.01379	13.4
69.68410	2.1
71.01373	8.4
85.06662	2.0
89.02425	15.5
97.06577	4.2
101.02457	15.3
113.02459	3.5
119.03457	3.6
123.08193	2.8
125.09714	62.9
125.22754	2.1
144.34091	2.4
187.09770	34.7
211.13321	4.2
235.08209	3.3
253.09177	2.4
255.23311	48.3
269.71967	2.9
277.21780	17.5
309.20746	3.1
327.21729	12.5
356.72787	2.2
375.14011	2.1
823.47070	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	824.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76582	7.1
58.80305	6.6
63.16193	8.5
70.53217	7.0
73.04899	7.3
91.25435	8.1
99.66346	8.0
101.10355	7.7
115.80513	9.2
121.02948	35.7
159.08333	8.2
216.10143	12.5
239.98293	8.5
262.10818	36.6
304.11890	12.2
321.58118	9.7
529.04572	8.0
600.70428	9.0
636.28705	11.2
824.31030	100.0
851.02710	10.6
852.06458	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	826.286
Annotation	Unknow
Peak:m/z	Relative Intensity
76.61723	2.4
79.36555	2.4
82.37234	3.4
85.06219	2.6
103.95018	2.4
121.02944	61.3
143.26859	2.6
163.89699	2.9
176.07201	2.9
178.18748	2.6
191.07149	3.1
222.07736	13.7
274.09943	2.8
286.87347	3.3
319.15530	12.7
525.21460	26.3
766.26563	4.1
826.13965	5.9
826.28534	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	826.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53257	5.7
116.64872	8.1
121.02987	47.3
209.72337	6.7
218.11775	8.2
247.13251	7.6
264.12332	27.7
602.10577	6.9
826.32391	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	827.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63775	0.5
71.43397	0.4
81.64195	0.4
84.85449	0.5
105.07088	0.5
133.06583	0.8
147.11787	4.3
155.08632	1.9
171.11784	3.1
173.09683	12.4
174.10498	21.5
187.11270	5.7
189.12863	97.3
215.15375	0.6
233.11833	100.0
257.72543	0.6
365.85034	0.5
626.66168	0.6
671.48999	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	827.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.6
59.12337	1.4
59.20180	1.3
59.51987	1.3
67.05482	1.3
70.53831	1.4
71.01380	14.2
78.03342	1.6
83.01405	1.7
85.02959	2.3
87.00897	2.4
89.02460	19.9
100.68809	1.7
101.01782	2.3
101.02423	17.5
113.02445	9.9
119.03450	2.7
125.02446	5.7
143.03450	1.5
161.04573	2.7
167.10748	12.1
168.87149	1.8
179.14418	7.3
195.13913	22.0
197.11859	2.8
205.12405	16.2
223.13408	100.0
235.08186	2.9
253.09235	3.2
371.49399	1.7
379.12576	2.1
397.13666	17.0
415.14432	2.0
603.26740	21.8
621.27789	22.2
703.71790	1.8
809.39948	19.7
827.40833	36.5
833.20782	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	827.424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88053	0.6
69.26009	0.7
109.02984	1.2
121.02969	0.8
123.04534	3.5
124.01647	6.1
125.02471	0.9
126.13313	0.8
137.02448	1.5
138.03244	32.9
139.04015	21.5
151.03995	14.6
152.04765	1.0
153.05574	14.6
161.02446	16.0
163.03984	1.5
164.01163	12.9
165.01955	3.5
166.02707	24.1
170.02229	1.1
175.03932	1.0
178.02702	5.2
179.02051	1.6
179.03511	29.2
180.04378	1.4
181.05099	14.4
193.05038	5.2
193.88956	0.9
195.06726	1.0
234.56955	0.9
283.06094	4.7
300.06604	1.4
301.07245	1.1
318.07443	3.3
333.09839	100.0
467.13626	5.5
827.29602	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	827.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
74.85216	0.8
74.91380	0.8
83.01382	1.1
92.19450	2.0
95.05044	0.8
97.02922	4.5
106.04076	1.1
109.02926	12.2
121.02916	3.5
123.04507	8.8
125.02441	19.2
135.04523	1.8
137.02437	11.1
139.03990	4.6
149.02394	4.5
151.03966	7.8
159.04431	1.3
161.02417	2.1
161.06111	6.3
162.03229	1.6
163.00406	1.3
164.01190	2.0
165.01978	8.0
167.03458	4.1
175.03958	2.0
177.01939	1.8
179.03499	11.3
187.04002	7.7
188.04733	4.6
202.06387	1.8
203.07158	22.8
205.05078	19.0
217.04962	0.9
217.08679	1.1
221.08157	4.1
227.07104	4.8
245.08171	33.8
247.06053	3.5
255.23293	5.8
289.07175	47.2
383.79657	0.9
408.43542	1.0
497.19052	1.3
701.37805	1.0
809.44391	1.3
827.45984	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	828.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	3.5
59.48257	1.4
61.18443	1.2
62.33247	1.4
75.35830	1.5
91.05515	2.9
108.56393	1.8
109.02946	8.2
115.37669	1.4
123.04523	2.9
125.02442	100.0
137.02477	24.9
139.04051	2.4
147.04500	8.4
151.03957	6.5
152.69572	1.4
161.02469	20.7
161.06104	2.9
163.04013	1.9
164.01111	2.1
164.07159	38.8
165.01962	3.5
175.03970	9.3
177.01921	3.3
179.03459	6.4
179.82178	1.7
187.04036	2.1
203.07138	7.0
205.01451	1.8
205.05154	11.2
206.08229	28.0
245.04518	2.5
245.08174	20.1
256.03705	1.9
273.04037	3.5
281.04529	2.5
285.03931	2.4
287.05643	14.4
289.07233	50.2
339.08771	5.5
407.07825	35.7
425.08865	56.1
451.10242	8.3
457.84811	1.5
577.13611	77.2
654.59351	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	828.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
69.35780	0.9
71.46986	1.0
72.99309	29.1
72.99715	1.1
91.05511	1.9
100.95654	0.9
111.04460	1.6
119.05025	8.3
120.04514	7.9
121.02953	70.2
125.05996	1.3
126.80767	0.9
132.04620	1.9
139.04042	1.8
149.06125	1.2
156.04187	0.9
163.03998	2.3
168.87517	1.0
210.09337	8.4
218.11684	1.3
222.09230	3.9
238.08751	23.1
244.72606	1.1
264.12405	1.3
266.08267	10.6
280.93103	1.2
284.09296	100.0
326.10379	24.9
361.16595	4.0
379.17566	8.2
380.14255	1.1
397.18707	24.1
421.18710	6.5
439.19775	1.6
652.09186	1.1
664.27643	3.6
828.32806	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	828.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30761	0.4
58.71891	0.5
59.01384	100.0
60.03095	0.5
65.29356	0.5
65.77180	0.5
68.71709	0.6
78.23351	0.6
84.67036	0.6
104.78258	0.6
108.18401	0.6
126.75099	0.6
198.80717	0.5
339.24130	0.6
526.44800	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	828.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.62032	0.5
68.60015	0.4
68.87474	0.4
78.16050	0.4
83.16315	0.4
92.20165	0.9
97.34319	0.5
103.90575	0.4
106.29027	0.4
125.63796	0.4
216.88419	0.6
264.51038	0.5
287.22324	1.0
288.22800	0.7
318.43445	0.4
631.93390	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	828.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.77563	0.5
192.10355	2.3
275.26880	0.7
290.03226	0.6
311.78107	0.5
345.91953	0.6
403.29926	0.6
742.08575	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	829.293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65542	1.6
75.31174	1.7
83.01385	7.4
97.02963	2.5
109.02951	31.9
121.02957	3.0
122.03724	3.5
123.00843	2.4
123.04519	19.9
125.02399	16.1
133.02957	2.3
137.02409	8.2
137.09744	5.8
137.28896	1.8
139.04004	2.8
145.02934	2.0
149.02464	23.3
149.06053	9.6
151.04042	15.9
155.10779	28.6
160.05325	2.1
161.02457	31.5
161.06058	9.0
162.03226	2.7
163.04015	26.8
163.07579	3.1
164.01213	2.5
165.01895	3.4
167.03493	1.9
173.06102	1.6
175.03999	7.5
175.07593	1.9
177.05487	2.7
179.03477	7.9
179.10764	2.7
187.04054	3.9
187.07617	8.6
188.04819	2.4
189.01918	6.0
189.05653	1.8
191.03461	2.6
199.09779	17.3
201.05431	3.7
202.02722	2.5
203.03484	6.9
203.07137	13.3
205.05072	33.2
219.06444	2.2
223.09668	14.9
227.07213	3.1
228.07991	2.1
229.04941	3.7
229.08649	1.9
231.03003	6.2
231.06622	3.8
241.08661	1.9
245.08218	17.8
247.06125	10.3
259.09433	1.9
270.05362	2.9
271.06082	2.5
273.07422	2.7
285.07626	23.5
287.09241	12.3
289.07166	25.1
297.07608	3.7
299.09393	1.8
301.12878	2.4
311.05585	2.7
313.07138	3.7
315.08594	2.8
324.06461	3.0
325.07129	8.8
326.08002	3.0
327.08743	6.0
339.08618	1.8
361.15143	7.3
393.13245	2.0
437.12607	19.4
449.12357	24.8
467.13531	90.1
534.87836	1.9
677.24847	4.0
829.29443	100.0
829.45209	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	829.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66346	2.7
62.73740	3.7
63.38067	3.3
70.50131	2.7
83.01394	3.2
109.02920	15.9
123.04530	17.0
125.02422	15.8
137.02388	5.2
149.02437	7.7
151.04010	13.6
154.90224	3.2
155.10739	24.9
161.02449	21.4
161.06033	3.8
163.04042	15.4
163.07591	5.4
165.01973	4.8
179.03493	4.6
182.78461	3.6
187.04088	3.5
189.01923	5.3
199.09740	14.3
203.07097	7.4
205.05084	25.4
206.74583	3.9
223.09734	7.0
229.05077	6.0
245.08232	15.0
247.06297	4.9
257.08398	4.1
285.07672	18.4
287.09470	12.9
289.07217	19.6
297.07700	4.5
325.07178	3.9
326.08173	4.8
356.26941	3.5
361.15033	5.3
437.12665	5.3
449.12457	15.7
467.13455	63.1
677.25140	4.2
682.12872	3.8
829.29266	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	830.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84758	0.3
59.01371	0.7
73.77380	0.3
82.52166	0.4
83.05060	0.3
85.02941	0.5
97.02916	0.4
111.04522	0.6
113.55508	0.3
121.02949	100.0
124.01669	0.5
125.02419	0.6
137.06151	0.4
163.03961	0.4
165.09149	2.8
168.18416	0.3
189.05522	0.5
191.07112	1.4
203.07225	0.4
229.12465	0.5
233.11879	0.5
262.10803	0.4
319.15503	22.2
343.15405	0.5
361.16656	1.5
373.16644	2.2
403.17755	0.8
440.51605	0.5
525.21307	37.7
615.65179	0.4
667.91351	0.4
686.25586	0.5
770.32251	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	830.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	81.7
62.02626	2.1
63.13807	2.5
72.04533	9.1
72.99309	16.0
81.42332	2.9
91.05527	49.6
111.52861	2.6
119.05042	4.0
123.57536	2.7
132.01904	2.5
132.08183	5.0
139.06834	2.9
142.05040	4.4
148.07668	3.8
160.06123	5.1
162.09264	3.2
163.04024	33.9
174.09215	4.1
176.07173	22.3
190.08780	4.4
194.08211	4.1
218.08234	30.8
236.09297	100.0
258.77924	2.4
326.93774	2.9
421.80154	2.9
447.69766	2.9
503.71753	2.9
595.25653	11.4
638.29755	12.5
697.28619	47.4
830.50409	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	831.28
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	16.7
84.72552	8.5
111.95635	9.4
121.02959	14.8
152.99530	12.7
201.79121	8.1
217.70583	7.8
240.90439	8.7
241.01224	12.5
246.38965	7.7
254.75996	9.3
255.23325	65.2
277.21799	39.4
321.63095	8.2
335.43436	8.4
482.81583	8.6
558.71155	9.7
746.87378	10.4
831.49640	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	831.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53968	2.2
81.95696	2.7
84.30248	2.5
91.11819	2.3
96.98473	2.5
107.97507	2.2
109.02966	17.9
110.79043	2.4
123.04494	14.8
125.02404	30.4
127.41964	2.5
137.02457	19.8
149.02397	3.6
151.03987	9.4
161.02480	5.6
163.03954	3.2
164.01169	5.7
165.01915	4.3
175.03888	3.4
179.03496	5.8
187.03993	3.7
199.30203	2.6
203.07202	17.8
205.05019	17.3
211.13461	2.8
227.07030	3.6
229.05258	2.9
243.02771	3.1
245.08133	27.3
253.05063	67.9
255.06654	3.8
289.07196	100.0
325.14432	23.9
407.07727	10.3
417.09607	9.5
419.07782	4.2
422.41171	3.0
430.89630	3.1
435.10834	2.7
497.28897	5.2
499.25607	2.7
525.11768	22.3
541.28217	37.0
543.13025	43.2
831.36603	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.5
67.62632	0.2
95.86961	0.2
99.07713	0.2
123.07522	0.2
126.44157	0.2
134.04749	0.2
134.39668	0.2
147.63890	0.3
177.38478	0.2
271.20667	4.8
299.20163	7.0
317.21231	100.0
523.08392	0.2
615.65039	0.3
621.79553	0.2
710.57983	0.3
741.04688	0.3
848.23541	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	832.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
66.71181	0.4
67.34278	0.4
76.48898	0.4
85.02974	0.8
87.08133	0.4
95.68893	0.4
97.02939	1.0
101.06099	0.9
109.02915	0.6
111.04509	0.7
112.67467	0.4
121.02955	100.0
131.80232	0.4
139.04019	0.7
163.07611	0.5
165.09212	2.5
177.09343	0.4
181.59645	0.5
229.12222	0.6
247.13391	0.6
264.12509	0.6
313.14648	0.6
319.15533	23.6
327.39459	0.4
343.15320	0.7
361.16592	2.3
373.16577	3.2
403.17578	1.7
421.75732	0.5
525.21356	43.6
592.55908	0.4
655.69513	0.5
772.33508	3.3
799.39819	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	833.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
65.28767	0.6
67.69231	0.5
71.01362	0.6
71.29493	0.5
77.86707	0.6
90.89887	0.6
96.93401	0.6
101.02464	1.0
108.33871	0.7
161.04434	0.6
169.75493	0.6
253.09303	2.7
277.21741	100.0
392.97049	0.7
421.59991	0.6
513.30792	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	835.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47844	1.6
61.60540	1.8
61.72363	1.8
65.18935	1.7
71.52892	1.9
88.18040	2.0
124.82881	2.0
127.70858	2.0
135.09251	2.0
151.00290	2.3
163.03905	2.6
210.88831	2.3
255.02986	10.2
264.85684	2.3
284.03281	85.1
285.04059	100.0
292.44781	2.2
345.70261	2.5
433.32486	2.1
593.15198	81.5
846.18799	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	835.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.9
80.47121	0.4
84.81799	0.3
115.00368	4.9
117.03442	1.9
118.77724	0.4
133.01398	0.8
134.03745	24.2
144.09929	0.5
149.06070	8.3
159.96106	0.5
164.04774	2.7
178.02731	3.9
193.05066	100.0
223.06125	7.8
279.35117	0.6
309.06180	16.5
312.10144	1.9
315.16049	2.1
327.12540	1.4
339.07190	0.9
345.17148	9.3
363.18146	21.6
409.93063	0.4
428.40555	0.5
525.23401	22.8
609.67450	0.4
748.65009	0.5
785.62494	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	835.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.5
60.33184	0.3
67.97633	0.3
70.47506	0.3
71.01382	2.3
87.80206	0.3
89.02448	2.8
91.18627	0.3
92.20108	0.6
95.21100	0.3
101.02467	0.7
113.02422	0.7
119.03476	1.4
121.02949	100.0
143.03511	0.4
161.04514	1.8
179.04202	0.5
179.05586	4.5
203.46994	0.3
221.06667	1.7
311.16623	1.3
329.17737	1.1
425.47296	0.5
425.52838	0.4
443.66736	0.3
535.21680	2.9
595.23810	0.5
653.28442	2.3
775.32489	0.7
836.91565	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	836.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.2
65.68822	0.8
68.46834	0.7
71.01374	1.0
72.99307	3.6
80.62532	0.7
85.02937	1.3
87.04508	1.8
92.19432	2.2
104.65525	0.8
109.29792	0.9
111.04491	9.2
113.02419	3.3
121.02953	100.0
132.04543	1.3
134.06117	7.5
162.05580	1.2
164.84859	1.1
176.10722	1.3
189.20753	1.0
204.10277	19.5
204.12024	1.1
219.13921	1.4
232.09792	4.4
247.13402	24.3
250.10846	15.4
265.14429	8.3
274.10867	3.4
292.11877	3.8
361.16498	3.7
379.17770	3.5
391.17651	9.0
451.50629	0.9
501.21429	15.3
543.22241	6.9
734.32300	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	837.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
69.03442	1.3
71.05025	0.7
74.70949	0.3
81.78848	0.3
109.06635	0.5
121.02956	9.4
122.03300	0.7
161.13338	0.5
167.10773	5.6
177.12781	0.3
179.10760	2.1
179.14372	5.1
195.13910	15.6
204.10271	0.8
205.12341	10.0
223.13399	100.0
237.91920	0.4
247.13185	0.6
261.09283	0.4
502.21753	0.5
544.22241	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	837.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
103.98991	1.0
120.01232	1.5
121.02914	0.8
125.02419	1.2
142.93463	0.8
163.11217	0.9
176.73061	0.8
179.14392	1.7
205.15964	9.5
206.16417	5.4
206.18153	0.9
207.13893	20.5
230.11897	0.8
249.15021	8.6
250.15244	5.0
251.12979	16.2
251.16533	100.0
261.07986	0.8
325.23264	0.8
825.48090	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	838.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
64.20696	1.7
85.10934	1.9
101.02443	2.1
111.08156	11.7
112.08484	2.3
113.09738	19.1
176.15851	1.7
179.10765	2.3
197.11829	32.2
198.12202	15.6
208.79605	1.8
211.13277	3.6
253.09239	11.7
291.19653	7.7
291.42960	1.9
292.20007	3.0
293.21225	100.0
305.24921	42.5
309.20773	35.3
310.21057	16.5
530.32452	41.0
546.30347	6.4
701.46692	2.2
838.52606	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	839.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04246	0.7
71.63013	0.7
72.99303	1.3
85.02948	100.0
111.00901	1.1
111.04494	0.9
116.68206	0.7
119.05029	1.3
129.01942	40.0
129.05585	0.8
138.85158	0.7
145.02980	10.2
147.40666	0.7
155.03551	5.2
163.04019	3.7
173.00912	32.6
173.04530	3.7
211.07532	1.0
264.99570	0.7
265.08542	0.8
325.09381	4.2
339.10858	3.0
773.86096	0.9
780.76953	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	840.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
73.17031	6.0
88.01560	7.2
104.35114	7.1
110.26295	6.9
121.02959	82.7
215.44501	6.2
236.09196	11.0
300.02051	7.0
319.15622	25.0
328.95258	8.5
398.43286	7.3
510.42966	8.0
525.21265	13.9
578.78632	7.6
741.07593	7.8
840.29791	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	840.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43875	8.1
59.01361	9.7
60.08263	9.1
61.98813	10.8
63.34199	8.1
79.23126	9.8
121.02933	100.0
126.71397	11.5
547.10150	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	840.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
71.58781	1.7
83.79594	1.5
84.47905	1.6
102.53304	1.4
121.02951	100.0
163.35146	1.7
165.50826	1.6
208.09753	3.6
504.23938	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	840.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
73.66558	8.2
83.22612	8.8
92.20171	9.2
121.02953	100.0
127.57223	9.4
164.70009	8.4
260.24057	10.9
344.81311	8.5
706.48584	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	840.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02132	4.8
72.99305	5.4
87.17662	5.1
90.81885	4.9
97.41866	4.8
110.43971	4.8
121.02943	63.6
141.31642	4.8
152.29924	5.0
232.13498	18.9
278.13986	36.8
320.15027	8.7
581.57281	6.6
652.31696	9.6
840.33807	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	841.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
71.01373	10.0
71.51177	1.1
75.97647	1.0
76.16942	1.0
115.00344	5.7
145.02921	9.2
149.02496	1.6
160.79813	1.1
161.02467	2.2
163.03915	1.1
164.04779	25.5
165.05566	6.6
179.07153	26.1
194.29016	1.0
208.03781	24.2
209.63997	1.1
223.06125	100.0
260.08682	1.2
327.10797	1.7
339.10696	6.8
355.10406	2.2
385.11395	36.9
440.64056	1.2
441.36206	1.5
443.19205	2.1
483.11121	5.0
501.12836	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	841.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98834	1.0
97.48843	0.8
98.95997	0.9
108.88574	0.9
111.07956	0.9
113.19498	0.9
121.02946	100.0
121.26590	0.8
125.57941	0.8
175.82199	0.9
183.13951	5.9
193.12305	1.6
211.13400	68.0
551.10046	1.1
741.20349	1.0
800.43231	1.0
812.53998	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	843.491
Annotation	Unknow
Peak:m/z	Relative Intensity
86.12914	1.1
102.81602	0.8
125.02438	1.7
133.02931	1.4
146.95297	1.1
161.02443	100.0
232.31706	1.0
287.22253	14.0
393.22845	35.4
431.24448	2.2
449.25494	61.4
840.65485	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	844.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.17384	0.5
62.31211	0.5
72.99300	3.6
73.11060	0.6
78.62323	0.6
97.38666	0.7
105.75542	0.6
116.68052	0.6
118.26373	0.6
118.27214	0.6
120.07541	0.6
160.44177	0.6
174.10608	0.6
184.89664	0.6
188.08470	0.7
189.12759	0.7
190.08777	4.3
196.07089	0.6
208.09796	27.0
233.11798	0.6
271.47086	0.6
313.54974	0.6
409.58572	0.7
418.16504	0.6
471.49500	0.6
512.39069	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	844.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.44094	0.5
62.59478	0.5
66.13786	0.5
72.99314	1.0
75.95315	0.5
78.95917	0.7
90.25579	0.6
92.20085	0.7
96.96014	4.3
96.96953	3.8
151.22157	0.5
163.81172	0.6
190.08742	3.9
208.09822	8.3
250.10844	6.7
398.83414	0.6
552.71552	0.6
605.03265	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	844.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.65351	0.5
72.99313	4.5
77.24153	0.6
77.77858	0.6
103.10300	0.6
116.96562	0.6
119.11053	0.6
129.57253	0.5
160.12975	0.5
181.83147	0.6
190.08713	3.2
208.09796	21.9
212.51939	0.6
305.26587	0.5
340.60089	0.5
459.73282	0.7
699.97980	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	845.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	4.2
59.01383	100.0
67.53304	2.0
71.01369	22.7
80.65050	2.2
89.02426	36.4
94.54011	2.2
101.02441	13.4
113.02441	13.9
119.03499	13.2
147.04417	2.2
151.86853	2.5
161.04547	4.8
179.05605	19.2
255.68489	2.4
429.38583	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	845.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
71.01381	12.1
73.02955	2.6
76.42990	1.7
87.00874	2.4
89.02436	12.0
101.02450	10.6
113.02438	6.8
125.02447	2.5
142.53474	1.6
161.02393	7.6
221.06747	2.2
241.18344	2.5
325.25455	11.1
341.24814	3.1
343.26636	9.7
359.25919	6.8
361.27545	3.1
369.24374	10.0
377.27133	1.9
385.50583	1.8
387.25470	13.7
393.22882	2.8
394.23126	2.7
400.43576	2.0
405.26480	22.4
410.59756	1.8
449.29657	1.7
785.39850	100.0
845.48181	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	846.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42717	0.8
114.14725	0.8
143.81331	0.8
151.00414	6.3
151.01518	0.8
164.07159	1.1
178.99825	1.8
193.05061	3.6
204.47211	1.0
255.02934	3.2
271.02533	4.5
272.03323	1.2
299.35425	1.0
300.02774	100.0
301.03561	35.4
595.13147	71.4
642.43866	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	846.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
60.84068	0.4
68.22585	0.4
68.50807	0.3
71.01390	0.5
72.99303	25.5
91.05516	0.6
96.95866	0.4
98.06108	4.0
99.04517	10.9
104.05048	0.5
119.05016	4.3
121.02953	23.1
121.10229	0.4
122.52914	0.4
134.06120	0.4
139.04099	0.4
144.04539	0.8
149.09685	0.6
163.07639	0.7
165.09177	0.6
172.11380	0.8
180.06610	0.4
180.86984	0.4
185.52220	0.4
188.10822	4.9
193.08733	3.9
200.10791	0.6
216.10294	15.9
244.09727	4.3
245.11833	0.6
259.13467	0.4
262.10846	100.0
296.10251	0.4
329.13718	0.5
337.59711	0.4
341.13416	0.4
359.15128	3.2
377.16214	1.5
399.87546	0.5
419.17178	2.3
481.18573	0.9
523.19550	1.9
541.20868	1.5
559.21832	11.3
601.23230	4.0
846.44745	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	846.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
72.49209	0.7
80.96503	1.1
85.02984	1.0
91.41177	0.7
97.02959	1.1
110.55608	0.8
111.04536	1.3
116.15890	0.6
121.02950	100.0
123.08178	0.8
126.95027	0.8
165.09193	1.4
225.00952	0.9
229.12352	0.9
241.34142	0.8
278.10260	1.4
313.14572	0.9
319.15527	25.8
361.16437	1.2
373.16458	3.1
403.17636	1.5
525.21289	26.8
732.91443	0.8
846.47559	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	846.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
60.28334	0.5
73.19443	0.6
93.20171	0.6
111.65946	0.6
112.18724	0.7
120.22659	0.7
121.02949	100.0
126.44588	0.6
208.09802	0.8
431.06546	0.7
741.95331	0.7
846.48022	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	846.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
121.02950	100.0
123.74466	0.3
149.16522	0.4
153.17494	0.3
208.09764	1.8
229.41219	0.3
250.10999	0.5
318.29758	0.3
477.87146	0.4
528.59497	0.5
603.42139	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	846.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92817	0.6
66.49213	0.6
71.12196	0.6
111.04501	1.0
115.07637	1.2
115.83688	0.7
121.02953	100.0
130.15305	0.8
139.04012	1.1
165.09204	2.5
174.94753	0.7
191.07117	1.1
229.12268	0.8
233.11705	0.7
313.14194	0.8
319.15485	21.4
361.16666	1.2
373.16589	2.6
403.17545	0.8
525.21368	37.5
786.34705	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	847.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96839	4.0
62.63379	4.1
68.28988	4.1
73.57658	4.2
81.21867	4.8
94.43751	4.2
123.04538	28.0
125.02434	62.8
137.02452	31.4
151.04001	10.9
163.00328	6.3
164.01189	100.0
165.01903	27.6
176.01193	9.8
177.01886	6.6
179.03503	18.4
243.03065	8.2
255.92134	4.7
271.06195	33.8
275.88754	5.0
285.04089	6.9
407.07516	9.3
417.09842	9.1
421.09262	10.1
543.13165	62.9
575.15704	25.0
632.68878	5.1
847.23077	40.9
862.32465	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	847.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48592	0.8
93.03443	1.9
109.02937	5.9
121.02935	2.2
122.03728	3.8
123.04510	17.7
125.02438	49.8
133.02966	5.8
137.02443	22.3
139.04007	4.5
149.02414	1.4
151.03999	6.4
161.02425	1.6
163.00322	2.0
163.04010	2.0
164.01152	100.0
165.01924	23.4
175.04010	1.4
176.01155	1.9
177.01924	8.6
179.03474	9.8
185.06035	4.5
187.04100	3.5
193.04999	1.4
199.07635	1.7
202.99869	2.2
203.07196	6.3
204.00636	3.7
214.02826	1.2
219.02957	2.2
227.07179	4.6
228.04390	1.5
229.05005	5.0
243.02945	1.8
245.00964	1.0
245.09128	1.3
253.05074	1.7
255.03059	2.2
256.03757	4.2
257.04584	1.6
268.03668	1.0
269.04483	2.2
271.06116	30.8
281.04681	1.0
282.01678	1.2
283.02457	1.7
283.05945	1.0
285.04034	4.0
297.03928	2.1
300.02850	1.3
303.08710	5.7
311.05493	1.7
363.08707	1.1
397.09274	5.3
407.07846	5.1
417.09579	6.7
421.09332	14.0
449.12244	3.8
543.13013	44.7
567.12268	1.4
575.15747	28.1
693.16809	1.1
709.37604	1.0
721.19501	11.7
782.63385	1.1
847.22766	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	847.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
73.48607	1.8
109.02929	11.6
121.02923	2.8
122.03735	3.1
123.04513	18.5
125.02445	65.0
133.02983	4.3
135.04489	2.5
137.02443	37.7
149.02475	4.5
151.04004	11.5
155.19554	2.1
161.02512	8.6
161.06102	5.1
163.00356	4.8
163.03996	4.1
164.01169	100.0
165.01933	33.3
175.03992	2.8
176.01141	3.8
177.01900	5.6
179.03462	17.5
185.06157	4.0
187.03972	4.0
191.03456	2.7
201.05794	3.1
202.06323	2.8
203.07152	17.0
205.01428	3.2
205.05125	9.8
227.07135	4.2
228.04446	2.9
229.05087	3.7
243.02997	3.5
243.06583	3.5
245.08142	12.9
247.71188	2.5
253.04976	4.7
255.02963	2.8
256.03897	3.4
271.06119	35.0
289.07205	42.3
303.08972	2.9
407.07697	4.0
411.10797	3.7
421.09283	10.9
520.45154	2.3
539.86914	2.7
543.12878	11.6
557.14679	49.9
561.13770	3.3
575.15692	34.1
693.16180	2.6
721.18927	3.4
847.22406	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93421	0.4
65.73433	0.4
71.01380	12.6
74.75993	0.4
85.57049	0.5
87.19733	0.5
88.24976	0.4
91.32390	0.4
97.92903	0.5
113.98896	0.5
115.00362	6.1
125.02405	0.8
127.23524	0.5
127.61184	0.5
134.03741	0.9
147.04532	2.9
149.02425	8.3
157.89909	0.5
164.04791	37.7
179.07172	5.3
193.05080	2.5
194.05588	0.5
195.04185	0.5
208.03778	8.3
223.06117	100.0
287.24200	0.5
300.02774	1.0
301.03345	0.9
328.61298	0.5
339.07220	12.9
344.50375	0.5
459.25467	0.5
595.12988	0.7
596.13544	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	847.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
59.05359	2.1
61.13636	2.1
61.98840	100.0
62.73921	2.1
63.14455	2.3
76.26464	2.5
103.48077	2.5
109.02943	16.4
123.04516	12.9
125.02429	67.3
134.63091	2.7
137.02458	15.3
151.03984	12.3
156.23463	3.1
161.02412	23.2
163.04018	4.5
169.60550	2.7
175.04016	11.5
177.01813	9.3
180.48282	2.5
181.08731	11.5
187.04034	4.3
203.07149	11.3
205.05090	10.6
208.09685	2.9
220.33025	3.1
225.05542	17.7
229.05016	5.0
231.02882	5.1
234.60637	2.6
243.03009	3.4
245.04514	5.4
245.08214	17.8
255.03053	11.8
255.06511	3.1
257.04590	5.2
268.03983	3.0
269.01776	4.7
269.04572	74.8
271.06223	6.0
273.04083	4.3
281.04526	15.1
285.03992	13.6
287.05539	4.6
288.46545	3.0
289.07211	44.6
289.47150	2.9
297.04044	5.2
339.08804	4.1
354.36917	2.5
369.10062	2.9
369.53458	2.7
407.07773	43.1
425.08911	39.7
431.23734	3.1
433.09448	12.1
449.08688	3.2
540.49011	2.6
541.11536	3.8
555.67236	2.7
557.06799	2.9
557.27594	13.4
559.12476	56.7
631.17389	3.0
695.31396	5.7
721.32611	4.9
847.35638	53.7
847.49561	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	847.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.01684	4.0
59.04410	1.8
65.39996	1.9
71.01384	51.7
84.92233	2.1
85.02952	5.1
87.00862	2.3
89.02446	80.7
91.73137	2.1
91.85755	2.1
95.01376	2.8
97.13345	2.2
101.02446	29.2
101.95644	2.2
113.02436	23.1
119.03480	24.2
125.14126	2.2
131.03531	2.5
143.03471	8.3
161.04547	9.4
179.05624	51.3
220.73936	2.5
570.92279	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	847.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
139.70192	0.7
169.00865	0.8
202.69606	0.8
228.21790	0.8
233.73941	0.9
252.86298	0.7
259.24271	0.9
277.65817	0.8
289.54004	0.8
303.23300	100.0
381.27200	0.9
407.19009	0.8
526.89258	0.9
544.27802	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	848.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.1
71.01377	12.3
72.99313	1.3
75.99456	1.0
85.02968	2.1
89.02457	18.4
92.80058	1.3
97.02932	1.3
98.02478	18.7
99.00865	2.9
101.02439	4.6
113.02460	5.1
116.03571	1.3
119.03492	5.9
119.05006	4.4
121.02955	100.0
137.23671	1.4
139.04089	1.6
143.03453	1.2
148.87682	1.1
161.04543	1.5
162.05644	8.1
165.09181	5.1
174.09174	1.3
179.05620	6.5
180.06689	21.0
216.06804	1.4
229.12167	1.4
262.07224	27.0
280.08258	7.1
319.11972	1.4
319.15536	24.8
371.91696	1.2
373.16446	1.4
525.21252	16.5
552.15155	1.3
626.49927	1.2
777.54944	1.2
788.28973	2.6
848.31677	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38896	12.1
78.98608	14.5
80.96525	30.0
92.19431	16.7
104.58190	13.7
117.96053	14.2
121.02959	24.7
225.00694	21.3
225.41020	15.5
492.67545	16.5
587.17273	14.6
848.49036	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	848.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
63.58132	1.2
72.99310	24.6
82.70924	1.1
87.47265	1.1
92.19451	2.8
97.02933	1.6
98.06107	4.7
99.04517	22.9
104.05047	1.1
109.06626	1.1
111.04488	5.0
119.05014	9.5
121.02945	86.4
125.54835	1.1
134.06081	1.6
137.09723	1.4
139.07642	2.1
143.83797	1.1
144.04579	4.0
149.06038	1.6
154.99704	1.2
162.52615	1.3
165.05418	1.5
165.09235	1.6
175.07451	1.2
188.10818	11.3
190.06396	1.9
191.07167	6.6
193.08672	1.9
194.05830	2.3
200.10831	1.7
211.18858	1.1
216.10315	30.2
243.69157	1.1
244.09808	17.1
262.10840	100.0
277.32571	1.1
286.10837	1.2
304.11923	52.2
331.15555	18.7
349.16599	2.2
385.35675	1.1
421.18753	5.2
594.27246	9.3
606.27014	9.2
617.83844	1.3
636.28265	33.1
848.50281	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	848.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
71.01365	0.9
72.99319	4.1
77.68848	0.9
85.02943	1.4
99.04517	1.8
111.04507	12.8
113.02438	1.8
119.04992	0.9
119.60269	0.8
121.02950	100.0
125.06123	1.3
134.06114	1.5
147.04567	1.0
149.09798	0.8
165.09088	1.3
188.10805	5.7
216.10342	11.3
219.13824	5.2
229.12282	1.1
244.09776	4.9
247.13374	30.4
247.15746	1.6
262.10870	13.6
265.14478	12.0
286.10812	3.7
304.11905	1.6
361.16675	7.0
379.17752	1.9
391.17770	11.6
501.21344	25.0
543.22095	6.8
576.18628	0.9
711.04022	0.9
746.31909	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	848.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	83.9
62.39448	1.0
66.79729	1.1
74.57383	0.9
80.96512	6.6
101.87720	1.0
121.02950	100.0
130.20967	1.1
130.55287	1.0
141.94778	1.2
148.35446	1.1
225.00717	1.6
229.40224	1.1
274.84579	1.2
287.10696	1.2
435.17596	1.1
644.25018	1.2
719.51538	1.2
848.49060	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	849.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12120	1.0
72.99316	19.9
93.03449	2.5
93.51413	1.1
95.04267	1.1
99.00900	1.7
106.14001	1.1
107.05029	6.7
121.02952	1.3
125.02460	14.2
125.51659	1.2
132.31190	1.2
133.02979	2.3
135.04524	1.6
137.02449	2.3
147.04535	1.6
149.06085	7.8
165.05569	82.2
175.03990	5.8
177.01971	17.9
179.03490	30.7
187.04089	1.3
193.05081	20.7
203.07140	1.7
211.05994	1.2
245.08177	5.6
255.05119	100.0
258.27545	1.1
273.04007	1.2
289.07205	9.1
303.05014	1.6
339.08813	1.3
349.30072	1.3
349.96292	1.2
407.07654	13.4
425.08896	23.8
593.13062	41.0
788.94800	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	849.2058
Annotation	LMPK12030009
Peak:m/z	Relative Intensity
66.50002	3.4
72.68427	3.3
81.27521	3.0
92.19949	3.7
102.00401	3.5
119.09332	3.0
123.04548	3.4
123.51641	3.1
125.02445	100.0
129.35010	3.1
137.02422	18.2
151.04013	4.8
161.02470	23.7
161.06178	4.3
164.01147	16.0
165.01958	5.4
175.04041	7.0
177.01830	10.9
179.03441	3.7
187.04007	4.5
203.07155	7.7
205.05179	5.8
229.05130	3.9
245.08263	14.7
255.02994	7.7
257.04297	3.8
271.06039	7.3
281.04413	4.9
287.05603	7.5
289.07196	27.9
407.07605	38.0
425.08948	7.2
450.20007	4.1
559.12341	25.2
577.13489	16.3
697.15967	5.8
723.17059	4.1
849.20184	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2056
Annotation	LMPK12030009
Peak:m/z	Relative Intensity
65.43751	1.6
84.59327	1.4
96.90041	1.6
109.02946	8.8
115.87471	1.6
120.52591	1.5
121.02966	2.1
123.04483	2.8
125.02436	100.0
137.02472	13.3
140.30099	1.5
145.02911	2.3
149.02428	2.2
149.58121	1.6
151.04013	3.6
161.02431	23.8
161.06084	2.1
163.03914	1.9
164.01172	13.3
165.01932	3.3
175.03993	7.2
177.01920	10.5
179.03485	3.0
187.04047	1.8
203.03598	2.1
203.07121	8.5
205.05049	5.7
217.05077	2.8
229.04964	3.1
243.02917	5.1
245.04536	3.8
245.08194	10.9
245.27922	1.7
255.02959	7.0
271.06039	3.8
285.04193	1.8
287.05643	12.5
289.07153	22.4
339.08908	2.6
397.09183	7.0
407.07620	17.6
419.72452	1.7
425.08737	6.7
433.09030	1.9
451.10211	3.3
559.12415	22.1
577.13568	24.6
697.15845	3.4
723.17181	3.0
849.20166	20.1
882.88586	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	849.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30999	2.0
63.41475	1.4
63.96951	1.5
66.40280	1.7
97.02954	1.8
109.03018	5.8
123.04517	1.9
125.02443	100.0
137.02446	16.2
138.80809	1.7
149.02429	2.7
151.04010	9.9
159.79990	1.6
161.02480	24.9
163.04015	3.2
164.01157	14.3
164.33243	1.8
165.01929	3.4
175.03989	8.4
177.01862	3.7
179.03444	3.5
182.86223	1.8
185.06216	1.9
191.03366	1.9
203.07138	7.7
205.01366	2.4
205.05040	7.6
217.05132	4.3
229.04938	2.5
243.03021	4.1
243.06691	2.0
245.04483	4.1
245.08145	14.4
257.04407	1.9
269.04678	2.8
271.06158	3.3
281.04602	2.6
287.05728	14.5
289.07245	20.9
332.39584	1.7
397.09015	3.5
407.07739	18.6
425.08749	7.1
451.10147	3.6
559.12579	24.0
577.13531	22.6
697.15961	8.5
723.17578	2.6
849.20618	21.6
860.87988	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	849.2058
Annotation	LMPK12030009
Peak:m/z	Relative Intensity
61.95381	1.8
67.72974	1.7
85.31126	1.7
96.66814	2.0
109.02950	8.2
123.04529	2.8
125.02443	100.0
137.02432	12.3
149.02431	3.9
149.34630	1.9
151.04037	3.2
152.39313	2.0
161.02422	22.0
161.06047	2.1
163.00345	2.0
164.01178	9.5
165.01935	3.0
175.03958	7.7
177.01961	3.1
187.03964	3.4
190.68108	2.0
203.07147	8.2
205.05168	4.7
217.05121	2.9
228.28992	1.9
234.95851	2.1
243.02951	4.3
245.04582	8.2
245.08247	9.4
255.03006	4.5
271.06107	3.2
287.05573	11.5
289.07156	23.1
397.09311	10.5
407.07779	20.5
425.08868	12.2
451.10684	2.7
559.12646	25.1
577.13770	21.1
697.15967	3.9
738.24915	1.9
749.85834	1.9
849.20837	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82587	3.1
109.02901	4.7
115.81642	3.4
122.40397	3.8
123.04456	5.5
125.02448	100.0
137.02463	20.8
151.04024	5.9
161.02438	25.2
164.01169	14.7
165.01961	4.2
175.04022	3.9
177.01920	5.2
199.83394	3.5
203.07231	4.3
245.08121	5.7
257.04404	3.7
269.04346	5.7
287.05679	6.1
288.44913	3.8
289.07190	23.0
407.07861	19.2
425.08978	8.6
425.25928	3.8
451.10571	4.5
460.54013	4.5
479.98843	3.6
559.12952	25.1
577.13477	23.9
666.42603	4.2
697.15668	5.3
728.99854	3.8
849.20007	35.5
883.52069	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	849.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00008	0.4
71.01382	9.6
73.79624	0.4
75.28293	0.4
85.83875	0.3
90.60631	0.3
92.20026	0.6
115.00371	5.5
117.03458	1.6
125.02415	3.7
134.03737	26.8
137.02448	1.5
149.02499	0.7
149.06088	7.6
164.01114	0.6
164.04810	4.0
165.05055	0.6
178.02698	4.8
193.05061	100.0
206.62988	0.4
208.03741	0.5
223.06087	9.7
224.06499	2.5
225.06583	0.8
289.07120	0.7
309.02975	0.6
309.06216	13.6
339.07141	0.6
342.23611	0.4
407.07635	0.5
428.19342	0.4
559.12341	0.9
849.21014	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	849.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.7
61.34608	1.2
63.88735	1.4
70.46115	1.3
70.91461	1.2
71.01387	9.7
85.02930	1.3
89.02438	9.9
97.02899	1.6
101.02451	10.7
101.31416	1.3
113.02407	2.1
119.60130	1.3
151.11282	13.5
151.73792	1.2
152.72482	1.3
158.68054	1.5
169.12350	45.3
213.11317	6.0
221.06725	1.7
255.23296	51.3
583.96570	1.5
629.26849	1.5
847.08881	1.6
849.48621	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	849.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
60.22264	1.1
71.01381	8.3
73.02927	2.3
76.63811	1.3
89.02432	11.1
100.84876	1.3
101.02464	10.6
113.02462	1.9
119.03432	1.7
139.85124	1.4
151.11249	10.0
169.12341	71.8
213.11317	13.5
221.06622	2.2
221.69153	1.3
232.71733	1.5
255.23303	28.8
694.91547	1.6
717.94604	1.5
849.48700	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	850.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
62.75113	0.6
74.26989	0.6
75.07098	0.8
76.47106	0.6
77.04381	0.6
77.58273	0.6
85.03001	0.8
97.02910	0.7
111.04482	1.3
121.02950	100.0
144.04445	0.7
165.09241	3.1
191.07172	1.3
204.06683	1.0
229.12292	0.6
245.32520	0.8
279.74677	0.9
319.15503	21.9
361.16425	2.5
373.16513	1.6
403.17130	1.3
525.21295	40.3
547.48322	0.9
730.28241	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	850.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
61.44078	0.9
61.99295	0.8
66.64822	0.9
71.11212	1.0
72.99313	2.0
85.02959	1.3
85.06615	1.9
101.06062	2.0
111.04510	11.7
113.02409	1.6
119.05055	1.1
121.02952	100.0
134.06131	9.3
147.04507	1.5
149.09743	1.3
152.82826	1.1
164.16209	1.0
177.09113	1.4
180.06664	1.3
186.30603	1.0
187.20801	1.2
190.12473	1.6
218.11873	15.3
219.13931	1.5
229.12334	1.4
246.11296	4.7
247.13397	28.4
258.52277	0.9
264.12415	15.6
265.14487	10.1
288.12390	1.2
306.13440	2.5
361.16745	4.4
379.17538	1.9
391.17783	10.4
501.21329	20.9
529.78748	1.3
543.22467	6.2
638.29175	1.8
734.74176	1.2
748.33075	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	850.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.81006	1.0
72.99316	2.0
85.06609	1.2
86.78093	1.2
90.23592	1.2
101.06071	2.7
109.12759	1.4
111.04527	11.5
113.02455	2.2
121.02953	100.0
134.06114	12.6
149.09793	1.3
163.88310	1.3
169.45456	1.2
177.09169	1.4
180.06688	1.9
218.11827	16.6
219.13785	1.7
241.20612	1.2
242.22964	1.2
246.11258	2.9
247.13370	25.5
259.25504	1.5
264.12469	16.6
265.14490	9.0
288.12561	2.2
306.13464	4.7
360.63837	1.3
361.16660	5.3
379.17459	2.3
391.17480	11.6
397.18341	1.4
421.18301	1.2
501.21094	17.2
543.22375	7.2
823.05792	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	850.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
95.05009	1.2
102.37856	0.5
109.32462	0.5
112.07684	13.4
113.06078	4.1
126.79250	0.7
129.10333	7.5
130.08736	18.7
207.15044	6.5
208.13463	1.1
224.17714	4.8
225.16104	36.5
242.18736	1.3
260.87354	0.6
279.32590	0.6
320.23404	3.7
337.26056	5.9
338.24506	12.5
368.79922	0.6
433.31821	4.8
450.34460	4.4
451.32849	5.1
546.40350	2.1
563.42743	2.1
564.41156	1.0
623.22656	0.6
772.57111	3.4
790.58295	100.0
850.59851	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	850.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
63.18319	0.7
68.97025	0.8
70.77048	0.7
95.04967	0.8
98.29762	0.8
112.07666	9.8
113.06071	3.8
123.87732	1.0
129.10327	5.5
130.08727	16.3
207.15077	6.2
223.71188	0.9
224.17702	4.6
225.05797	0.8
225.16083	29.6
313.46872	0.9
320.23450	1.5
337.26080	4.3
338.24481	8.4
386.60855	0.8
433.31775	3.0
441.51028	0.8
450.34647	1.8
451.32898	3.4
481.80759	0.9
546.40118	0.9
563.42682	1.0
685.07080	0.9
772.57159	3.7
790.58240	100.0
850.60834	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	851.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04577	2.4
83.01376	6.1
99.04455	3.0
105.13513	2.5
125.02433	37.8
137.02415	11.6
151.04031	3.1
151.19308	3.1
163.03993	2.9
165.01932	17.2
167.03487	17.6
175.04004	4.3
179.03499	5.7
193.01521	2.8
209.75481	2.3
241.04984	3.6
241.56935	2.6
269.04559	5.9
270.05377	2.9
271.06293	2.4
281.04559	3.0
283.06253	4.2
284.06885	30.1
295.06085	4.7
297.04190	2.8
305.04257	3.7
312.06287	6.3
317.04745	3.9
319.06433	2.9
323.05716	3.5
333.04114	6.2
347.05313	4.4
359.05765	9.1
617.13641	3.9
626.52765	2.7
713.03735	4.0
713.15369	36.8
756.63733	2.7
833.17780	24.5
851.18518	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	851.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02969	4.3
63.67839	4.0
63.68130	3.7
68.08471	4.1
71.17576	4.1
82.67776	4.9
83.28190	4.5
85.31193	4.6
91.08756	3.8
93.13707	4.2
100.40036	4.8
109.02934	24.5
123.04486	6.5
125.02449	88.9
126.81275	4.1
137.02419	36.0
149.02419	5.2
151.03972	19.2
163.00389	22.4
165.01926	21.6
167.03503	10.3
175.03922	9.2
177.01912	6.5
179.03505	10.0
180.25522	4.5
187.03957	10.9
201.05626	5.5
203.07094	17.8
205.05025	23.8
217.35866	4.5
225.05667	4.9
227.03671	6.9
229.05026	26.6
231.06898	4.5
241.05077	35.8
245.08185	28.8
255.02994	9.7
256.03720	6.9
257.04541	25.9
269.04578	47.3
271.06131	5.7
279.03131	10.8
281.04535	22.0
289.07263	68.1
297.04208	46.2
321.07425	5.0
342.25754	4.3
359.05652	6.9
407.07877	23.4
419.60403	4.6
425.08829	6.6
435.07309	43.8
561.10236	69.5
699.13678	8.6
725.15698	7.6
851.18903	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	851.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.3
74.41837	0.3
80.05044	2.8
112.04057	0.6
112.21767	0.3
115.00337	0.4
121.05350	0.5
122.06116	8.0
123.08138	0.5
124.04041	2.2
124.07678	2.9
125.02433	0.5
132.04547	4.1
134.03743	0.5
134.06142	0.7
138.05626	0.8
140.07114	0.7
148.04048	12.9
148.05186	0.6
149.06097	1.4
150.05609	19.4
151.80502	0.3
160.03970	0.6
161.04814	2.6
166.05052	0.6
166.08702	0.5
168.06659	0.5
176.03528	3.3
177.04311	1.8
178.05067	3.8
184.06146	4.9
192.03047	14.1
192.06741	0.8
193.05083	7.7
194.04604	28.7
200.07230	2.3
202.07234	1.4
212.10803	6.2
213.10342	1.5
221.03339	1.4
229.13414	1.9
230.11861	8.4
231.11366	8.8
240.08984	0.7
245.09270	0.9
255.11401	25.9
256.09772	0.7
257.09348	0.6
273.12433	11.7
274.10925	0.4
281.09341	0.7
299.10416	2.9
299.13385	0.4
317.11386	0.4
331.10501	0.4
343.09357	4.5
355.10123	0.6
361.10492	2.9
365.31799	0.4
379.11508	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	851.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57896	0.4
61.98835	100.0
63.56635	0.4
67.04560	0.4
72.83949	0.5
84.53433	0.4
85.42769	0.4
90.78172	0.4
92.20061	0.5
121.02963	4.1
122.03359	0.8
129.26405	0.4
140.81252	0.4
200.98233	0.5
266.14957	0.5
449.50671	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	851.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.36742	0.5
68.62623	0.5
93.44031	0.6
101.10853	0.6
120.50825	0.5
121.02982	5.3
133.76541	0.5
262.10773	2.1
263.11078	1.0
597.27850	0.7
642.28882	0.6
692.77942	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	851.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.6
70.95612	0.6
71.01379	13.3
89.02438	21.0
89.66350	0.7
90.59425	0.6
90.82579	0.6
101.02458	8.8
104.26747	0.7
113.02434	6.6
119.03506	7.2
121.02952	100.0
124.27100	0.6
136.03528	0.6
143.03497	1.3
161.04539	3.2
179.05629	20.7
184.66916	0.7
235.80649	0.7
239.07848	2.4
243.06450	0.7
310.35754	0.7
791.31366	9.4
859.25433	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	851.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.3
70.43399	0.2
93.52998	0.2
95.97340	0.2
96.35097	0.2
96.96016	0.2
97.02957	3.6
104.45757	0.2
106.02576	0.2
125.02473	0.3
159.74504	0.3
161.09779	0.3
163.11317	0.3
175.62814	0.2
177.12852	7.2
187.27138	0.3
191.14444	13.0
193.15988	4.3
203.14439	6.2
205.12383	5.0
206.13240	1.7
218.26151	0.3
221.15482	100.0
247.13431	1.4
265.14468	87.0
310.76016	0.3
338.26996	0.3
388.19220	0.3
591.03986	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	851.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.3
59.01386	26.9
63.05424	0.7
69.99107	0.6
71.01377	14.8
80.05923	0.7
81.03481	0.8
85.02937	1.3
89.02441	22.4
94.36329	0.8
99.04485	3.0
101.02448	14.0
113.02444	11.1
115.04010	1.5
116.92853	1.0
119.03475	7.9
121.02930	1.4
125.02422	0.9
125.16907	0.8
164.15407	0.8
179.05603	1.5
191.14310	1.0
193.15982	10.7
237.14885	2.6
435.22366	100.0
731.93329	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	852.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
65.37641	0.4
85.02979	0.6
97.02953	0.9
101.63501	0.4
109.02940	0.7
111.04483	0.7
121.02949	100.0
137.06049	0.5
163.07611	0.5
165.09210	2.9
191.07173	1.0
192.03493	0.5
247.13544	0.5
313.14542	0.6
319.15509	23.5
327.15884	0.5
343.15640	1.6
361.16519	2.0
373.16568	3.1
403.17581	1.0
478.58734	0.5
511.11096	0.5
525.21356	27.4
556.42310	0.5
792.29468	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	852.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
71.01374	0.7
72.99306	8.0
81.03449	0.5
85.02962	0.5
86.06184	0.4
91.05526	0.6
93.03465	0.8
95.01390	1.0
97.02940	2.5
99.04507	0.6
106.25615	0.4
107.52544	0.4
109.02911	0.8
111.04566	0.9
112.95486	0.4
114.62737	0.4
119.05006	8.1
120.04565	2.5
121.02947	100.0
121.06533	0.9
132.04561	0.5
135.04543	2.3
137.02469	0.5
137.06104	1.7
149.09732	0.8
151.04036	0.8
161.06204	0.4
165.05644	0.9
165.09212	5.1
177.09232	0.6
179.03529	1.7
180.04280	5.3
191.07210	1.1
195.56953	0.4
201.09346	0.9
201.12833	0.5
207.10304	0.5
210.09225	4.5
222.09209	3.4
229.12297	2.1
231.10226	0.6
238.08719	11.3
239.10742	0.4
247.13309	0.4
249.06479	0.6
253.12312	0.6
266.08237	8.6
271.13416	0.5
284.09293	23.9
295.13474	3.0
308.09326	1.6
313.14484	5.4
326.06897	0.6
326.10349	10.6
331.15524	11.2
343.15454	5.3
352.80618	0.4
373.16605	4.2
403.17813	2.5
417.24097	0.5
433.18265	0.6
463.19955	0.6
465.19263	0.8
525.21466	2.2
658.27399	0.5
700.27698	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	853.294
Annotation	Unknow
Peak:m/z	Relative Intensity
82.35536	0.9
92.20048	1.4
97.18937	0.9
99.01206	1.0
106.60572	0.9
108.02169	5.3
109.02965	8.4
121.02956	7.1
123.04539	8.7
125.02415	2.0
129.07115	1.1
148.05258	2.1
149.02449	4.1
150.03230	22.5
151.04034	1.3
160.05298	14.7
162.03198	2.1
163.07654	4.2
164.04768	7.2
165.05569	51.8
172.05293	7.6
172.61787	1.1
173.06068	21.6
175.07658	2.3
177.05579	1.6
187.07585	1.4
189.05652	1.0
189.17970	0.9
193.05128	1.3
195.06625	18.1
204.04271	2.2
207.06694	2.1
217.03140	1.7
217.05069	37.9
219.06622	4.5
231.06612	18.2
237.07533	1.8
281.08127	2.0
295.09732	1.7
296.10428	8.8
297.75061	1.0
311.12866	5.9
336.74789	1.0
340.09607	8.7
355.11896	24.9
373.12939	100.0
431.13510	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	853.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24909	0.3
61.98837	100.0
82.14998	0.4
90.53424	0.4
121.02968	2.6
122.03304	0.7
150.44687	0.4
259.82443	0.4
269.31409	0.4
313.84421	0.4
526.22375	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	853.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58723	1.1
69.98014	1.2
86.57196	1.3
93.03429	2.6
109.02950	15.8
121.02913	1.8
122.03699	8.8
123.04520	43.9
124.01609	1.5
125.02416	1.4
139.04002	16.5
142.45741	1.3
151.03996	19.0
161.02409	7.7
163.00404	12.8
163.04059	9.2
164.01137	32.9
178.02728	21.7
179.03496	89.6
192.74658	1.4
193.05040	5.6
204.00629	3.0
219.03032	3.0
255.06635	6.3
257.04550	2.5
267.06467	2.7
270.05270	5.8
271.05762	1.7
283.02390	1.8
285.07605	10.0
299.05728	2.6
303.08777	24.3
311.05429	2.1
327.04849	1.5
343.08252	2.2
381.31424	1.5
421.09515	9.1
435.10779	10.0
449.12350	5.5
490.89923	1.5
491.22870	1.6
557.14532	8.1
589.17200	100.0
687.68909	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	854.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93856	2.4
76.84666	2.5
91.27144	2.6
92.37964	2.9
121.02955	71.1
144.52536	2.8
174.67651	2.4
204.10301	3.7
222.99954	2.4
250.10832	14.2
315.65564	3.2
319.15485	19.6
525.21100	28.1
758.31073	4.8
854.31787	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	854.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36154	7.8
61.03642	8.1
61.98832	9.0
63.11414	10.0
121.02956	78.1
175.20917	9.0
215.10304	10.8
234.04816	10.1
250.11021	13.2
284.09396	17.7
854.31750	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	855.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27353	0.5
64.10177	0.6
69.82598	0.6
72.60828	0.5
73.00435	0.6
73.14419	0.6
81.03454	0.7
84.88694	0.5
89.65363	0.6
93.49619	0.6
99.87233	0.6
121.02955	1.1
125.02436	14.5
145.02925	1.5
151.00331	4.0
155.03596	0.7
178.99840	1.3
185.06041	5.8
190.19676	0.7
193.01520	0.9
199.07726	4.6
203.07204	1.2
227.07159	5.0
229.05031	19.2
241.05035	5.3
243.06596	3.4
255.02982	1.3
255.06769	1.2
271.02762	3.6
271.06119	100.0
283.05978	4.9
300.02762	56.0
301.03522	20.9
301.07156	19.4
339.04550	0.7
373.09259	0.8
391.10370	50.4
451.28909	0.7
463.08850	43.0
501.88306	0.7
536.01715	0.8
555.75995	0.7
611.24512	0.7
640.46698	0.7
711.40826	0.7
834.00934	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	855.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57320	9.7
60.61171	9.7
64.21464	10.9
80.38374	10.0
82.97050	11.3
84.62281	9.3
88.86895	11.6
92.28047	9.9
92.62248	10.5
121.02947	100.0
197.95064	12.0
249.91518	10.5
279.23215	14.1
397.08530	12.5
492.48889	12.1
855.50183	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	856.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.0
69.47371	0.5
72.99277	0.9
85.02964	0.5
89.02461	1.0
93.03471	0.6
97.02955	0.8
111.04523	1.3
119.05029	1.1
120.58608	0.6
121.02950	100.0
163.07437	0.6
165.09233	2.6
168.40421	0.6
178.08746	3.6
206.08212	2.9
229.12318	0.8
233.11758	0.6
234.07693	0.8
247.13229	0.9
252.08772	5.0
313.14481	0.8
319.15509	27.3
343.15582	0.6
361.16653	0.9
366.79480	0.6
373.16574	3.4
403.17551	2.7
410.05649	0.6
483.20139	0.7
502.70609	0.7
525.21350	56.3
760.29755	2.8
761.95819	0.7
796.26990	0.8
856.29749	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	856.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98874	1.1
71.26649	1.1
73.23096	1.1
78.17108	1.2
79.15562	1.3
79.23893	1.2
83.28678	1.4
84.76833	1.2
89.02432	1.4
112.65412	1.5
117.54897	1.6
121.02953	100.0
125.02457	2.1
133.63896	1.3
139.04039	1.5
165.09230	1.8
178.08704	3.0
195.11630	1.2
206.08244	2.5
229.12354	1.7
252.08722	2.1
319.15524	23.1
359.13007	1.4
405.23141	1.5
458.47302	1.4
479.96768	1.5
525.21326	51.6
760.29901	1.8
856.29816	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	857.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
72.46107	1.1
85.82928	1.1
87.02624	1.2
109.02964	2.2
121.02932	7.8
122.03729	21.0
123.04502	1.8
124.01684	1.7
125.02402	5.1
137.02443	37.2
139.04114	1.3
151.04002	1.7
155.47008	1.2
163.03989	1.4
164.01146	6.0
165.01938	100.0
179.03526	12.8
180.09908	1.3
203.07149	2.7
205.05000	1.9
247.06099	1.7
288.06427	1.6
492.84540	1.2
642.78131	1.3
736.21960	1.2
857.37714	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94334	0.7
71.01385	0.8
71.57558	0.7
75.70519	0.7
83.01374	1.1
93.10094	0.7
97.02926	1.0
101.02388	0.9
109.02922	1.3
121.02956	8.8
122.03740	24.7
123.04512	1.4
124.01596	1.2
125.02384	1.7
135.04526	1.6
137.01418	1.6
137.02435	35.8
138.03157	1.5
139.03984	1.3
149.02437	3.0
151.03969	1.3
154.02640	0.6
161.02419	1.0
161.05991	1.0
161.97241	0.7
164.01126	6.9
165.01921	100.0
174.77283	0.7
179.03532	11.9
187.03983	1.2
202.06468	0.8
203.07130	4.0
205.05084	3.2
244.07539	1.1
247.06052	1.3
288.06192	0.9
289.07285	1.1
746.96527	0.8
857.37708	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04024	1.3
88.23818	1.5
107.07626	1.4
114.10326	1.7
120.86986	1.7
121.02953	11.9
123.04583	1.9
125.02427	19.0
125.78393	1.6
137.02452	11.4
139.04034	1.8
149.02365	2.0
164.01167	32.2
165.01907	34.7
168.63496	1.7
177.01945	3.5
184.19247	1.4
193.01367	3.1
202.40132	1.5
205.42184	1.7
243.02979	6.2
255.03021	8.8
269.00970	7.0
271.02286	1.9
271.06076	6.5
282.01761	4.9
283.02435	2.3
298.01160	2.4
299.05542	3.0
301.03677	3.5
309.07660	3.1
315.01852	2.7
315.05170	43.0
334.98730	1.9
335.05368	2.6
351.21625	2.3
353.06647	2.8
361.07285	2.6
393.09875	5.7
451.06494	2.3
543.13068	3.5
587.12085	100.0
705.12927	12.0
733.15417	8.1
859.18982	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56337	0.6
65.53413	0.5
69.03448	2.6
70.48784	0.6
71.01384	20.0
71.05000	0.7
71.84968	0.6
72.99294	0.8
73.02930	3.9
74.65833	0.7
79.80813	0.5
80.49101	0.5
81.03444	0.9
83.01410	0.9
85.02948	4.0
86.06842	0.6
87.00864	5.5
89.02443	29.4
95.01384	1.2
97.02937	3.4
99.00887	1.4
101.02442	20.6
113.02451	13.5
119.03503	6.1
125.02435	8.6
133.05096	0.6
139.04062	1.0
143.03494	4.0
145.40654	0.6
146.45859	0.8
147.09349	0.6
161.04607	5.1
167.10794	4.7
179.05635	2.7
179.10794	1.0
179.14441	4.5
187.35370	0.7
195.13914	15.1
205.12344	12.5
221.06767	1.1
223.13402	88.2
235.08244	5.4
255.23311	100.0
287.07678	0.9
305.08893	1.2
323.09714	0.8
379.12466	11.4
394.08005	0.7
397.13528	28.5
415.14459	4.0
561.11560	0.7
603.26678	21.3
621.27777	9.8
635.36670	8.6
653.37592	14.1
859.50812	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89975	0.8
67.61209	0.8
72.56241	0.7
75.16972	0.7
82.46678	0.6
86.53470	0.6
88.80592	0.6
92.55839	0.8
112.97768	0.8
115.81650	0.7
128.34744	0.8
151.00340	3.3
178.99838	4.3
190.78224	0.8
255.02939	3.2
271.02429	6.8
299.83331	0.9
300.02750	100.0
301.03564	30.7
301.07043	1.0
320.67508	0.8
402.35486	0.8
422.67188	0.9
438.88376	1.0
609.14685	75.2
796.21210	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	860.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	15.3
99.61554	18.4
121.02969	23.4
200.31473	20.8
298.10922	35.3
408.42786	21.6
446.21085	17.7
628.05609	19.4
652.25958	19.1
672.28668	26.4
784.30658	22.5
828.35114	19.9
860.30963	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	860.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85680	1.7
77.14637	2.3
81.34052	2.0
81.73572	1.9
84.14011	2.3
85.02946	2.8
94.32538	2.2
97.60818	2.2
102.21285	2.3
110.02376	2.2
117.82944	2.5
121.02952	100.0
162.05620	9.8
180.06653	2.3
200.51003	2.2
210.73390	2.3
243.06073	2.0
274.07230	30.4
319.15518	32.9
373.16504	4.5
379.37717	2.6
403.17715	3.1
481.28488	2.4
525.21332	23.2
537.76257	2.4
614.42297	2.2
697.93793	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	860.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81737	3.2
108.22018	3.4
115.06024	3.1
115.07632	17.6
119.05000	4.6
120.63224	3.0
121.02956	100.0
128.10782	5.8
153.95044	3.0
165.09195	4.5
174.07867	3.4
239.44710	3.1
274.14517	14.1
302.67526	4.2
319.15503	20.4
320.13358	3.6
363.82932	3.6
517.76788	4.5
525.21057	22.8
560.57971	4.0
588.87799	3.5
671.25769	4.1
732.04596	3.8
800.36511	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	861.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
79.67287	1.0
84.18387	1.0
85.23290	1.0
91.27245	1.0
93.03442	2.1
94.33051	1.0
95.05012	2.0
109.02953	18.0
121.02927	4.8
122.03748	11.6
123.04523	48.9
124.01653	2.3
125.02441	25.6
133.02942	8.5
134.03682	1.2
135.04538	2.1
137.02451	17.0
139.04025	14.8
145.02937	2.3
150.03215	2.6
151.04018	23.6
161.02443	9.1
163.00368	31.3
163.03996	8.2
164.01151	94.7
165.01909	14.8
166.16681	1.4
169.45811	1.2
176.01103	1.3
178.02737	32.8
179.03494	100.0
185.06058	1.4
186.65862	1.1
191.03485	2.5
193.05055	6.0
203.07117	4.7
204.00632	2.6
205.01471	1.6
219.02936	6.5
225.05460	1.3
227.07190	1.6
228.04370	1.6
229.05037	4.6
234.44342	1.0
243.03026	2.2
253.05118	2.1
255.02974	6.3
255.06685	4.1
256.03729	4.2
257.04501	7.5
257.08316	1.8
267.06619	7.0
269.04517	5.3
270.05350	11.1
271.06137	32.0
282.01654	6.0
283.02621	3.6
285.07678	24.0
293.04675	1.5
297.04294	1.6
299.02078	1.3
299.05609	4.5
303.08722	25.4
309.04037	4.4
311.05563	2.4
311.30713	1.2
343.08185	2.2
360.79376	1.3
388.05371	1.3
389.06689	1.6
421.09262	24.0
431.11514	1.5
435.11047	12.6
449.12524	2.6
539.13281	1.1
557.14679	34.7
571.15894	1.6
584.04083	1.2
589.17236	82.9
628.16156	1.8
693.15936	7.5
707.18091	4.7
735.20911	5.8
800.75513	1.4
843.22693	1.9
861.24078	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60953	1.2
84.99480	1.4
92.20120	2.7
93.03439	2.6
109.02939	8.3
123.04539	18.7
125.02463	29.9
133.02946	5.7
137.02446	27.8
139.04027	6.1
149.02440	2.3
151.03990	6.2
161.02429	2.2
163.00356	8.0
164.01166	100.0
165.01953	19.9
176.01186	6.7
177.01947	5.8
178.02751	3.2
179.03484	13.3
185.06010	1.8
187.03992	2.6
191.03510	10.7
199.07756	1.5
201.23489	1.4
202.99864	2.2
203.07179	3.2
219.03215	1.8
227.07220	2.3
228.04343	5.6
229.05051	3.3
233.04298	1.4
235.92722	1.4
243.06491	1.6
252.34531	1.5
255.02928	2.9
256.03870	2.4
257.04559	2.5
269.04602	2.4
270.05209	2.4
271.06128	30.6
281.88995	1.5
283.10025	1.6
285.07547	1.7
299.05643	3.0
303.08707	6.5
311.05646	1.6
347.05670	1.5
355.08450	1.5
397.09256	1.6
411.10886	7.9
417.09818	5.6
421.09357	15.3
450.09848	1.5
539.13477	2.4
554.51709	1.5
557.14563	88.1
575.15887	17.2
693.16846	1.9
861.23950	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	861.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10143	1.3
64.64636	1.2
83.01388	2.2
92.20135	1.3
92.22952	1.7
93.03439	5.8
95.05041	2.0
97.02941	2.4
109.02968	19.8
121.02960	2.8
122.03688	5.1
123.04519	34.4
124.01629	2.2
125.02443	36.1
133.02937	6.2
134.03760	2.1
135.04434	2.1
137.02437	37.9
139.04034	13.7
149.02385	7.1
150.03186	1.9
151.04008	13.8
161.02422	8.6
161.06116	2.3
163.00360	14.6
163.03931	2.1
164.01154	100.0
165.01935	23.8
165.05534	1.5
176.01123	6.4
177.01912	8.2
178.02708	9.6
179.03491	32.5
185.06120	2.6
187.03996	9.3
189.05559	3.5
191.03583	13.5
202.06311	1.8
202.99847	3.5
203.03647	1.5
203.07156	14.9
205.01480	3.5
205.04996	7.6
206.02283	1.9
207.23079	2.0
221.08057	1.6
227.07071	3.5
228.04282	2.2
229.05035	5.1
231.03091	1.8
243.06831	1.9
245.08195	12.7
253.05078	3.1
255.02994	3.5
255.06778	2.0
256.03735	6.3
257.04471	8.7
257.08163	2.0
269.04578	2.9
270.05255	3.0
271.06137	29.4
273.07773	2.4
285.07648	6.2
289.04214	1.8
289.07214	33.2
297.04181	2.4
299.05692	2.8
303.08710	3.2
311.05713	1.9
314.04260	2.4
355.07904	1.7
411.10803	3.5
417.09540	3.2
421.09360	18.5
425.12778	1.5
435.10739	10.3
449.12549	3.3
539.13220	2.9
557.14612	90.8
571.16168	3.5
575.15747	28.1
589.17255	6.5
705.26434	1.9
709.19299	3.4
721.19330	2.1
725.19012	1.8
861.24023	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79345	1.8
65.61007	1.5
91.66495	1.5
92.20129	1.8
93.03460	2.3
109.02948	19.7
121.02945	2.5
122.03710	4.3
123.04506	41.5
124.01687	2.0
125.02437	36.3
127.65988	1.8
133.02972	9.8
137.02428	17.0
139.04015	11.2
151.04018	25.5
161.02385	2.3
163.00386	21.5
163.03979	7.2
164.01158	100.0
165.01929	24.3
177.02026	2.6
178.02692	26.1
179.03500	84.4
185.06039	2.6
191.03503	10.4
193.05035	3.2
203.07060	3.0
219.02962	2.2
228.04506	2.0
229.05107	8.0
231.02802	2.2
243.02983	3.4
255.02953	2.5
256.03745	3.3
257.04492	11.8
257.08295	2.4
267.06650	3.9
269.04562	6.9
270.05319	8.8
271.06119	38.2
282.01724	4.2
283.02762	2.0
283.05948	3.1
285.04889	2.6
285.07648	19.3
299.05627	7.1
303.08829	13.3
309.04031	3.9
311.05692	2.5
343.08301	2.5
399.39514	1.8
407.08105	1.9
411.10968	2.2
421.09424	21.6
431.11569	2.8
435.11075	4.3
449.12344	2.0
557.14557	27.4
589.17218	54.8
693.16327	8.9
707.17572	14.2
725.19049	2.3
735.20825	4.3
861.24341	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94514	1.8
93.03456	8.1
109.02937	13.1
121.02991	3.0
123.04530	21.5
124.43700	2.1
125.02454	21.8
133.02954	9.8
137.02444	40.2
139.04002	9.2
147.04559	2.5
151.04024	9.9
161.02429	3.3
163.00336	8.4
164.01160	86.8
165.01933	20.9
175.54184	2.0
176.01135	9.3
177.01886	4.5
178.02702	4.8
179.03560	25.4
187.03981	2.9
191.03540	12.2
202.99886	4.1
203.07175	13.0
219.27077	2.2
225.05545	2.5
227.07039	4.0
228.04260	8.8
229.04979	3.4
233.04448	2.5
253.05319	2.3
255.02785	4.2
256.03754	3.5
257.04602	3.3
269.04550	3.1
270.05286	4.2
271.06177	30.0
285.03864	2.1
285.07687	4.2
289.07187	3.9
303.08798	3.2
407.07712	4.7
411.11194	4.0
421.09299	15.5
539.13080	2.5
557.14630	100.0
575.15930	16.8
589.17273	8.2
693.16821	3.8
725.96393	2.2
816.38843	3.0
861.24359	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	862.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67186	0.8
72.99290	1.3
83.04995	1.3
97.02936	1.4
104.58605	0.9
111.01508	1.1
111.04514	1.8
112.03309	1.7
112.04041	31.7
113.02426	2.0
118.06622	2.2
119.05012	10.7
121.02950	100.0
125.02441	4.3
126.68262	1.0
134.06140	2.2
137.02490	1.1
161.02487	1.0
162.05638	9.3
165.09166	4.8
180.06662	20.2
188.10838	2.1
191.07063	1.8
202.08759	4.0
230.08307	8.6
242.48366	1.1
275.54834	1.2
276.08786	27.6
294.09921	9.7
313.14407	1.4
319.15497	32.4
450.74500	1.1
525.21375	22.3
661.74792	1.1
784.29407	4.7
802.30804	2.1
862.33032	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34359	69.9
78.95962	69.0
82.08936	67.6
92.20007	100.0
106.87376	85.0
115.83665	68.3
126.28136	67.8
266.70593	72.7
295.12341	75.6
358.79257	84.2
481.51373	82.6
597.02289	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79060	66.1
71.51868	70.0
72.20680	68.3
83.35868	72.9
84.45699	81.9
88.41559	80.9
94.57500	82.6
110.79478	99.5
146.47598	100.0
178.93896	85.2
259.06152	93.4
300.33148	83.0
301.75156	91.4
346.79428	84.6
844.47394	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57975	9.2
67.37671	8.3
75.89546	8.4
92.19874	9.8
120.75734	8.9
125.02442	42.5
177.01852	17.9
178.14499	9.5
182.03101	9.3
189.01945	40.7
231.03278	14.1
243.02963	16.9
245.04596	12.8
317.33652	11.2
341.06537	36.6
351.05035	11.1
633.95386	9.7
643.89154	10.0
711.13458	100.0
863.18323	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	863.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
72.68246	6.8
92.20173	8.7
99.51805	7.3
109.02953	10.7
117.16421	7.5
123.04539	12.1
125.02438	53.9
130.65607	6.7
137.02475	13.6
149.02556	7.4
151.04033	11.5
161.02419	31.2
163.03972	7.8
165.01944	10.8
167.03468	11.1
172.07509	7.4
175.03998	15.1
177.01927	36.9
189.01892	53.7
217.01407	37.3
217.04930	7.1
219.02936	28.0
231.02988	30.2
241.05055	11.0
243.02962	31.9
245.04405	8.5
281.04321	7.8
283.06174	8.6
296.03394	7.1
307.06000	8.7
309.03958	12.9
317.04556	10.0
341.06686	49.5
363.05121	10.7
421.05783	10.8
531.09161	28.3
573.10382	10.1
695.13983	12.2
711.13300	100.0
863.18140	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97424	0.4
65.23038	0.4
81.68043	0.4
85.02947	1.8
91.62679	0.5
92.20084	1.0
103.07401	0.4
103.71407	0.4
111.04498	0.8
119.05009	0.5
121.02947	100.0
125.02437	1.6
144.03082	0.4
147.04483	0.5
158.27280	0.4
165.09209	2.5
177.49220	0.4
190.08685	0.5
191.07196	1.0
218.08148	0.9
233.11867	0.6
250.26744	0.4
257.11734	0.5
271.13574	0.5
284.09378	0.6
313.14529	0.4
319.15475	24.5
361.16666	0.9
373.16440	2.9
389.06845	0.5
403.17679	1.9
502.62506	0.5
525.21307	44.9
744.30389	4.9
760.10022	0.4
864.49713	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	864.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04560	4.1
72.99306	8.8
79.84384	0.8
82.00972	0.8
91.05533	1.0
92.20084	1.9
93.74082	0.8
97.02933	1.0
99.20824	0.9
109.02946	1.2
111.04535	2.0
117.78779	1.0
119.05014	5.9
120.04558	1.1
121.02950	100.0
122.93917	0.8
125.02415	3.6
132.08203	1.5
137.05971	0.9
154.26425	0.8
161.02415	1.3
162.09187	0.9
162.65150	0.9
165.09233	2.0
176.07152	4.2
190.08820	1.6
191.07147	0.9
210.09245	1.2
218.08194	14.2
223.58867	1.0
229.12283	1.5
236.09277	8.3
238.08733	5.1
266.08209	1.3
274.09637	0.9
284.06210	0.8
284.09293	23.9
289.07431	1.5
313.14438	1.8
319.15543	13.3
326.10358	6.4
343.15372	1.4
361.16727	1.2
373.16336	1.3
397.18661	4.2
403.17383	1.8
525.21375	17.8
555.83752	1.0
622.26660	1.6
671.25085	5.4
706.28949	1.0
744.30316	19.6
864.36731	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	864.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82993	0.4
83.19198	0.5
89.36637	0.5
92.20078	1.0
94.33126	0.5
100.87555	0.4
118.07610	0.5
121.02951	100.0
131.73520	0.5
156.02983	0.6
165.13748	0.6
190.08853	0.9
208.09744	2.0
250.10880	3.2
399.21121	0.5
466.82098	0.5
513.75177	0.6
632.84741	0.6
702.31879	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	864.383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19236	0.7
71.01388	0.8
72.99311	4.5
85.02959	1.5
92.19437	1.4
93.52664	0.7
99.08157	2.9
101.41212	0.8
107.80350	0.9
111.04510	11.1
113.02415	3.4
114.09325	0.9
115.07637	3.4
119.04968	0.8
121.02950	100.0
132.04521	2.6
134.06126	11.4
139.03984	1.0
144.04550	0.8
147.04509	1.2
149.09755	0.9
160.07625	0.8
162.05592	1.6
177.09267	1.0
180.06612	1.6
191.07080	0.8
197.09787	0.7
204.13898	3.2
219.13892	1.6
229.12376	1.0
229.96185	0.9
232.11221	1.4
232.13431	21.6
247.13383	29.6
258.14987	1.0
260.12903	4.8
265.14453	13.2
278.14005	19.5
302.13956	3.8
320.15121	5.0
361.16562	6.3
379.17657	1.4
391.17657	12.8
392.37454	0.8
501.21353	19.2
543.22424	7.3
601.22723	0.9
652.31079	0.8
762.35352	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	864.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51695	0.5
71.68064	0.4
73.07537	0.5
92.32097	0.5
108.80224	0.4
121.02952	100.0
208.09801	2.8
226.54391	0.4
232.09894	0.5
250.10869	3.7
398.23035	0.5
429.13647	0.5
632.68677	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	864.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14046	2.6
72.99331	3.3
75.14989	2.7
88.20277	2.8
92.19466	6.2
94.46276	2.6
94.83820	3.2
98.48132	3.0
121.02953	100.0
253.71991	2.9
278.14059	27.3
421.18802	23.9
665.93878	3.6
682.32678	4.4
864.51001	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	864.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	28.2
80.40614	3.9
106.16280	3.7
109.39189	3.9
115.07643	17.2
121.02956	100.0
129.01353	4.5
134.06113	10.2
172.16852	4.2
180.06665	8.4
193.12373	4.2
232.13411	51.3
243.78780	4.2
249.81313	4.0
260.13007	24.6
278.14001	87.5
320.15009	49.0
331.15613	9.7
474.12344	5.5
610.30347	10.4
622.30249	7.2
652.31311	44.5
808.12585	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	865.2006
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
69.37859	0.7
83.01380	1.1
109.02966	8.6
123.04498	4.3
125.02444	100.0
136.95586	0.7
137.02449	12.9
138.03236	0.8
139.04015	1.3
139.51003	0.7
149.02408	2.9
151.04007	11.4
159.04526	0.9
161.02446	30.7
161.06035	1.1
162.03214	0.9
163.00398	4.5
163.03995	4.1
164.01212	5.7
165.01924	8.3
167.03523	5.3
175.03990	16.0
177.01959	12.5
179.03488	4.5
187.03981	3.1
188.04787	0.9
189.01952	1.5
191.03558	1.1
193.05042	1.2
199.03969	1.6
201.05539	2.6
203.03526	3.3
203.07120	5.7
205.01361	1.6
205.05061	5.9
215.03473	0.7
217.05040	12.1
219.02948	4.6
219.06523	1.0
225.05511	0.8
227.03476	1.2
229.04993	4.0
241.04939	1.2
243.02982	25.1
243.06644	1.6
245.04567	17.4
245.08209	9.1
247.06314	0.8
252.67563	0.7
253.05138	0.9
255.02972	7.9
255.06825	0.9
256.03748	3.2
257.04636	3.0
261.04105	5.2
267.85370	0.7
269.04559	4.2
271.06360	1.0
273.04065	3.2
281.04486	3.8
283.02390	2.8
283.05844	0.7
284.03229	0.9
285.04037	5.8
285.07260	1.0
287.05643	13.0
289.07208	19.4
289.10388	0.8
295.06021	0.9
297.04062	2.7
299.05566	1.6
315.08832	0.9
329.06671	0.9
339.08759	1.4
341.06546	1.3
347.05902	0.8
383.07535	1.1
387.04852	0.9
395.07657	0.8
405.06030	3.4
407.07736	19.4
413.08755	7.4
423.07303	2.9
425.08936	6.6
439.19550	0.8
449.08954	6.9
451.10336	5.6
525.08234	2.8
533.10400	0.9
543.09174	1.0
561.10205	1.4
569.11365	0.8
575.11957	13.2
577.13696	14.0
587.12280	2.9
619.14673	1.5
695.14099	15.3
713.15411	10.6
739.17084	7.6
847.19086	0.9
865.19946	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	865.2
Annotation	Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Peak:m/z	Relative Intensity
69.29907	0.8
73.62545	0.7
83.01391	0.9
95.56207	0.8
97.02946	1.5
101.44158	0.8
104.10532	0.8
109.02979	7.2
123.04567	1.9
125.02441	100.0
136.39095	0.7
137.02446	11.5
149.02444	1.9
151.03992	8.2
161.02443	26.4
163.00337	1.5
163.03973	4.5
164.01169	4.7
165.01900	6.6
173.06148	0.9
175.04047	12.7
177.01942	11.2
179.03529	3.2
187.04047	3.2
193.04974	0.8
201.05647	1.8
203.03477	3.4
203.07130	4.9
205.01491	1.6
205.05078	5.9
217.05029	10.7
219.02901	3.5
221.08217	0.9
229.04979	1.6
243.02982	21.8
245.04521	10.5
245.08174	10.5
255.03017	5.3
257.04614	1.0
261.04047	4.6
269.04584	3.0
273.04062	3.2
281.04578	3.7
282.01703	1.0
283.02481	4.2
285.04074	3.3
287.05600	13.1
289.07175	16.1
299.05496	1.2
321.07285	1.0
339.08829	3.1
405.06223	3.4
407.07843	15.4
413.08859	7.5
423.07245	1.6
425.08771	6.5
448.42438	1.0
449.08893	4.3
451.10242	3.4
493.42477	1.1
525.08356	1.5
543.09863	3.3
575.12073	16.5
577.13428	15.2
587.12225	3.7
674.55444	0.9
694.26563	0.9
695.14233	17.7
713.15460	8.1
739.16455	3.5
851.33514	0.9
865.19995	17.8
886.82001	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	865.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77325	0.6
68.14533	0.7
70.45532	0.7
92.19405	0.8
92.55727	0.8
109.02943	7.2
112.20106	0.8
123.04534	4.5
125.02447	100.0
137.02448	12.0
139.04051	0.7
149.02449	3.2
151.04013	8.8
161.02443	29.7
161.06078	1.0
162.03253	1.4
163.00340	1.4
163.04013	3.7
164.01143	4.8
165.01917	7.5
167.03503	1.8
175.04010	11.2
177.01958	10.2
179.03539	3.6
185.06154	0.9
187.04007	5.1
188.04791	0.8
189.01978	0.9
189.05634	1.0
191.03537	0.8
193.05290	0.8
199.04018	0.9
201.05852	0.8
203.03535	3.0
203.07193	4.1
205.05054	5.8
217.05128	8.4
219.03001	3.7
221.08055	1.0
227.07190	0.8
229.05098	1.1
230.44406	0.7
231.03038	1.5
243.02980	18.7
243.06664	1.4
245.04510	9.3
245.08179	9.2
253.04849	1.0
255.02977	4.4
256.03717	1.3
257.04547	1.7
261.04068	4.4
269.04565	4.7
269.08139	0.7
273.04041	1.2
281.04520	4.2
282.01654	0.9
283.02542	3.0
285.04114	1.7
287.05673	16.0
289.07187	17.0
293.05280	0.8
297.03900	1.4
299.05670	2.8
309.04282	0.9
329.06409	0.7
339.08710	3.0
341.06799	0.8
381.09921	1.0
383.07608	0.8
387.04883	0.8
405.06299	3.2
407.07785	18.4
413.08893	8.0
419.07889	1.0
423.07245	3.8
425.09045	7.1
449.08884	5.8
451.10519	5.1
525.08258	1.2
543.09033	1.4
561.10126	1.1
575.11859	14.5
577.13623	17.0
587.12256	1.8
695.14215	12.0
713.15045	9.0
739.16754	5.5
865.20154	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	865.2001
Annotation	Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Peak:m/z	Relative Intensity
73.64693	0.8
74.49677	0.8
75.61497	1.0
88.17574	0.9
89.65066	1.1
92.20204	0.9
99.05921	0.9
109.02940	7.4
121.02966	1.2
123.04520	4.6
125.02446	100.0
126.02708	1.4
137.02452	15.0
149.02486	1.9
150.03276	1.4
151.04021	11.0
161.02443	32.0
161.05986	0.8
162.03055	1.1
163.00426	3.8
163.04016	2.2
164.01158	4.6
165.01923	7.3
167.03540	1.4
175.04039	18.1
176.01190	1.0
177.01926	14.0
179.03474	1.9
187.04063	3.7
188.04855	1.2
190.52878	0.9
190.84364	0.9
199.03998	1.3
201.01813	1.0
201.05531	1.8
203.03468	3.8
203.07185	4.9
205.01454	1.8
205.05075	5.5
217.05127	10.3
219.02924	5.6
219.06679	1.0
225.05630	1.2
227.07098	1.4
229.05089	3.7
232.03174	1.1
241.05064	0.9
243.02982	32.8
243.06572	1.4
244.03542	1.2
245.04561	11.8
245.08240	9.9
253.05289	1.0
255.02980	5.0
256.03629	1.5
257.04611	1.8
261.04022	5.0
269.04639	4.3
273.03995	2.1
281.04568	3.5
282.01324	1.1
283.02463	3.6
285.04004	3.9
287.05600	14.2
288.06067	1.0
289.07178	19.6
297.04102	1.5
299.05588	1.8
339.08786	1.5
341.06619	1.0
363.05115	1.3
381.09860	1.5
391.04562	1.2
405.05948	1.4
407.07758	17.9
413.08795	6.9
423.07422	3.8
425.08792	4.2
449.08670	4.3
451.10388	5.0
510.67029	1.0
525.08112	1.9
543.08734	1.7
561.10834	1.2
575.11926	17.0
576.12939	1.0
577.13391	10.4
595.97333	0.9
695.14050	18.3
713.15015	9.2
724.44537	1.0
739.16760	4.4
865.19891	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25115	2.1
63.04239	2.1
63.39941	1.9
64.98484	2.2
102.50793	2.4
104.39500	2.2
114.37886	2.0
121.02076	4.1
121.02951	100.0
125.68913	2.2
224.49098	2.3
262.10837	12.3
274.29440	2.2
319.15579	24.6
366.35306	2.9
525.21368	59.0
752.63068	2.5
770.32275	3.0
866.31750	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80037	2.0
77.04905	2.1
80.08117	2.2
109.02930	13.3
123.04512	5.4
125.01537	4.2
125.02441	100.0
126.02744	3.0
137.02493	18.2
149.02412	4.6
151.04027	12.6
152.91058	2.3
161.02455	23.5
161.06023	3.2
164.01160	3.4
165.01965	4.3
172.99005	2.3
175.03952	5.4
177.02010	2.9
179.03545	2.7
180.57324	2.6
187.04059	3.6
190.02893	2.3
201.05617	2.3
203.07117	13.2
205.01451	2.4
205.05025	9.7
243.02916	5.3
245.04547	5.2
245.08151	22.4
255.03061	3.9
256.03867	3.3
260.07086	2.4
281.04584	2.6
285.03964	5.4
289.07202	41.2
339.08432	8.7
407.07779	36.0
425.08823	37.0
453.62274	2.4
577.13623	85.9
776.86273	2.5
867.21198	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	867.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80037	2.0
77.04905	2.1
80.08117	2.2
109.02930	13.3
123.04512	5.4
125.01537	4.2
125.02441	100.0
126.02744	3.0
137.02493	18.2
149.02412	4.6
151.04027	12.6
152.91058	2.3
161.02455	23.5
161.06023	3.2
164.01160	3.4
165.01965	4.3
172.99005	2.3
175.03952	5.4
177.02010	2.9
179.03545	2.7
180.57324	2.6
187.04059	3.6
190.02893	2.3
201.05617	2.3
203.07117	13.2
205.01451	2.4
205.05025	9.7
243.02916	5.3
245.04547	5.2
245.08151	22.4
255.03061	3.9
256.03867	3.3
260.07086	2.4
281.04584	2.6
285.03964	5.4
289.07202	41.2
339.08432	8.7
407.07779	36.0
425.08823	37.0
453.62274	2.4
577.13623	85.9
776.86273	2.5
867.21198	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	867.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43385	0.5
69.08184	0.5
74.10133	0.5
88.56173	0.5
92.20061	1.2
99.92590	4.6
116.92855	100.0
125.02424	0.6
135.96971	0.7
235.02513	0.6
248.94283	0.7
345.50015	0.7
349.88223	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	867.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66021	1.0
70.02975	1.2
70.93948	1.2
74.02475	12.4
75.26037	1.1
80.31236	1.0
92.20180	2.1
92.92682	1.1
97.02937	2.1
98.02509	1.7
109.02966	9.2
110.85593	1.0
116.03513	7.7
116.05033	2.2
123.04504	4.9
125.02441	100.0
126.02753	5.6
137.02444	25.2
149.02412	1.7
151.04018	10.8
156.37543	1.2
157.37894	1.2
161.02457	26.0
161.06082	2.8
162.02937	1.7
163.04008	2.4
165.01892	6.2
167.03502	1.4
175.04018	10.6
177.01897	2.1
178.02293	1.2
179.03458	6.0
187.03981	5.2
188.04771	1.2
201.10312	1.4
203.08537	17.1
205.05078	7.5
217.04935	4.3
219.03065	1.4
227.07185	1.9
229.04987	4.4
243.02942	5.5
244.03467	2.1
245.04424	4.9
245.08366	18.9
245.09106	19.7
247.06088	1.5
255.02921	2.6
256.03592	1.5
271.05930	1.4
273.04034	4.6
281.04608	2.7
283.02515	2.0
287.05637	13.4
288.06000	1.4
289.07199	42.8
290.07385	1.5
295.09427	1.4
299.05530	1.9
339.08810	5.0
407.07697	30.5
408.08377	1.7
425.08768	43.8
451.10251	6.4
554.23602	1.2
559.13086	1.3
576.11829	2.9
577.13605	81.6
579.14453	2.1
697.14923	5.5
715.15552	2.5
867.20593	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	867.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.62283	0.4
82.38734	0.4
87.87492	0.4
92.20117	0.8
98.05387	0.3
105.26334	0.4
105.85550	0.4
112.46936	0.3
121.02973	2.7
121.42467	0.4
122.03316	0.6
139.79558	0.4
223.36699	0.4
232.67596	0.4
319.15646	0.4
398.26260	0.5
526.22064	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	867.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.13940	0.5
104.91843	0.5
109.54282	0.6
111.04515	1.0
121.02956	16.8
122.03262	4.8
134.06088	1.0
232.13419	1.5
233.13818	1.2
247.13525	1.3
248.13614	1.2
457.71207	0.9
525.21515	0.9
526.21381	1.4
600.95013	0.8
638.09253	0.7
867.32440	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	867.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.4
63.76900	0.7
72.00356	0.7
78.48190	0.7
87.77119	0.7
97.02949	3.5
110.44331	0.8
125.02461	1.3
139.96223	0.8
177.12836	7.1
187.39870	0.8
191.14418	13.9
193.15967	4.4
203.14453	6.9
205.12372	5.3
206.13159	0.8
221.15480	96.5
247.13432	1.4
265.14468	100.0
267.38004	0.7
366.25748	1.0
472.69327	0.8
774.94519	0.7
867.37408	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	867.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06086	0.5
71.01396	1.2
74.02499	0.8
89.02435	3.6
104.37638	0.6
109.02950	0.8
110.10578	0.6
123.04527	0.6
125.02437	11.8
128.62300	0.6
131.03462	0.9
137.02443	4.0
145.02928	1.3
149.04520	3.0
151.04031	1.0
161.02429	3.8
165.01917	0.9
167.07071	7.6
175.03949	0.7
177.01926	1.0
179.03587	0.7
203.08409	1.4
205.04987	0.9
227.07069	1.0
245.09204	1.3
253.05025	1.0
256.10983	1.4
267.10266	0.7
283.14514	0.7
284.10614	6.4
289.07184	4.6
295.09793	7.1
296.10535	19.0
297.11301	5.9
310.08514	4.7
311.09253	18.6
312.10052	83.0
327.12399	100.0
354.66638	0.7
407.07632	3.0
410.49698	0.6
425.09045	4.8
455.06339	0.8
477.17761	1.1
577.13507	8.6
613.63239	0.7
697.15869	0.7
741.16901	0.8
867.19647	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	867.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31271	0.4
76.02431	0.4
100.55013	0.5
121.02941	3.9
125.02506	0.6
191.14461	0.5
193.16014	3.8
201.33464	0.4
221.61667	0.4
235.13556	0.7
236.13956	0.5
237.14966	100.0
237.93718	0.4
350.12674	0.5
620.37341	0.4
628.11829	0.5
729.11499	0.5
776.06787	0.4
893.69354	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	867.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15451	0.9
71.01385	8.3
71.01707	1.0
78.62765	1.1
79.40176	0.9
87.00866	1.4
89.02437	12.1
97.02908	1.0
101.02444	8.7
103.36073	0.9
104.97555	1.0
113.02443	4.3
118.73811	0.9
125.02467	1.4
127.11298	1.0
136.63808	0.9
151.11302	2.1
152.99557	1.1
169.12350	19.7
171.10257	35.2
179.05676	1.4
209.11800	1.2
213.11403	1.5
221.06555	1.4
249.89740	1.0
255.23294	57.1
311.15631	1.0
373.36929	1.0
592.65100	1.0
867.49817	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	867.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	8.6
89.02440	12.3
89.02944	1.5
101.02437	10.8
113.02402	3.9
119.03486	2.2
125.02390	3.6
151.11240	3.9
161.04378	1.1
169.12326	23.1
171.10277	56.0
213.11282	4.1
221.06781	1.9
223.21198	1.0
226.33717	0.9
231.12378	4.6
255.23312	32.4
303.30405	1.0
592.60468	1.3
867.49756	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	868.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19469	100.0
101.73425	27.9
110.17964	27.3
121.02937	55.5
167.17290	26.8
284.09280	39.9
310.21634	27.5
389.16141	33.4
682.87628	30.8
744.16510	32.0
868.33020	36.7
874.85980	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29530	2.5
121.02956	77.2
137.24678	2.7
197.42635	2.7
214.39568	3.1
218.11731	3.2
260.14047	3.0
264.12418	13.7
313.62363	2.6
319.15549	19.4
373.16370	4.3
391.45282	2.6
525.21106	38.1
808.31689	5.2
868.33331	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	869.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59804	0.9
70.02965	3.6
74.02467	18.7
98.02483	3.2
103.55060	0.8
113.06275	1.0
116.03555	7.6
116.05050	3.8
142.82234	0.9
151.00386	1.0
151.80162	0.8
152.30991	0.8
159.09389	1.2
195.30753	0.8
201.10329	3.5
201.80472	0.9
203.08276	34.8
227.03384	1.4
245.09311	42.4
255.02966	4.8
256.03784	1.0
257.04559	1.4
266.05591	1.0
272.57892	0.8
272.74554	0.8
284.03271	62.0
285.04047	98.8
289.08392	3.7
300.02829	7.2
301.03500	1.2
314.08255	1.0
329.10309	3.4
373.09055	1.3
463.08713	7.3
523.84418	1.0
579.13617	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	869.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92007	1.7
71.01396	3.8
73.02954	2.6
87.21177	1.8
99.22341	2.0
101.02473	2.9
113.02456	2.1
121.02947	100.0
122.03738	37.8
125.02466	2.7
130.17032	1.9
135.04564	2.7
136.05339	3.9
137.06091	68.9
161.04588	3.8
163.04071	8.6
164.04779	2.9
217.60118	2.4
241.08727	9.7
395.91791	2.2
403.13953	44.3
421.20822	29.4
447.12808	22.1
462.74692	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	869.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84669	0.6
62.65462	0.5
63.73331	0.6
69.03471	0.8
85.02953	1.5
97.02935	4.7
111.13543	0.6
113.02415	4.5
121.02948	14.1
125.02423	1.2
127.32112	0.6
135.08951	0.6
147.88835	0.6
177.12840	6.5
191.14421	11.2
193.15974	2.5
201.12775	0.8
203.14455	5.8
205.12341	6.2
206.13194	1.0
221.15474	96.0
229.12572	0.6
243.24229	0.7
247.13367	4.1
265.14462	100.0
307.15695	6.6
452.89981	0.7
603.24683	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	870.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	27.7
80.81731	1.9
85.02937	1.9
85.43320	1.7
96.19073	1.9
113.02429	2.2
119.05013	8.7
120.04520	3.8
121.02946	70.9
123.87904	2.4
132.04564	2.8
163.11281	3.3
210.09253	10.1
229.12254	2.7
238.08731	22.0
240.27177	2.2
247.13542	2.8
266.08194	4.2
284.09299	100.0
319.15585	16.9
361.16672	3.7
375.86606	2.1
379.17908	2.8
385.42142	2.0
483.20325	9.5
543.22455	8.4
712.84406	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	871.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.8
73.02928	0.4
73.66204	0.3
74.39458	0.3
81.03454	1.9
83.01382	1.8
85.02942	2.3
89.02439	17.8
95.01354	0.4
99.04516	3.6
101.02440	13.9
113.02443	6.0
115.03983	2.7
119.03495	9.0
125.02367	0.4
131.03471	0.4
143.03473	0.6
175.14873	0.7
181.12325	0.5
193.15971	11.5
209.15318	0.4
216.62233	0.3
216.71584	0.3
237.14912	2.7
255.16034	0.5
273.16910	0.4
335.77887	0.4
390.23404	0.4
435.22375	100.0
621.06219	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	872.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74331	4.1
67.20710	4.5
72.04546	23.7
72.99306	26.8
75.33115	4.8
76.93744	4.4
80.27103	4.4
84.24738	5.2
91.05531	33.7
96.15776	4.8
119.39948	4.6
120.50587	4.5
121.02916	6.5
125.02354	7.8
126.31265	5.2
129.01035	4.8
132.08223	9.3
148.07710	46.0
152.34586	5.2
162.09196	20.8
163.04027	41.3
167.59386	4.8
174.09236	8.8
176.07184	35.3
190.08742	59.6
194.08179	6.4
218.08151	65.4
236.09296	100.0
237.53984	5.5
252.08824	12.0
278.10248	8.0
297.97195	5.9
337.89203	5.5
626.56989	5.6
637.26447	37.7
697.28741	66.7
730.66687	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	872.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98625	1.2
61.98837	20.8
62.48466	1.5
72.04552	11.3
72.99299	17.6
80.45699	1.6
94.66512	1.5
96.22828	1.5
107.60006	1.6
119.05029	2.6
122.13686	1.6
125.02393	2.9
129.11102	1.5
132.08125	2.0
137.04750	1.6
148.07758	2.5
162.09233	3.3
163.04008	2.7
174.09198	2.9
176.07159	13.1
190.08762	4.0
194.08200	3.6
218.08252	25.8
236.09277	100.0
239.77481	1.7
245.95401	1.7
314.46729	1.6
365.66388	1.8
427.58145	1.7
500.68790	1.7
579.70105	1.9
660.73242	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	873.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08158	1.1
71.01373	2.3
72.67545	1.0
84.25330	0.9
109.02951	8.1
115.00354	15.7
123.04499	2.3
125.02436	63.9
133.01425	72.4
135.04526	11.6
137.02457	9.7
144.53670	1.1
149.02396	1.3
151.03976	7.1
161.02438	13.2
161.06108	1.5
163.04004	1.4
165.01979	1.8
175.03990	7.9
177.01932	4.8
179.03502	29.8
187.04007	2.1
189.05385	1.0
203.07066	7.8
205.01436	1.7
205.05017	7.2
217.05038	2.1
227.07054	1.5
229.05119	2.2
243.02937	2.2
245.04471	2.1
245.08157	17.3
247.06354	1.4
255.03001	1.6
256.03772	2.0
273.04086	4.3
281.04642	5.7
283.02670	1.4
285.04050	4.3
287.05621	5.6
289.07175	36.0
295.04633	8.6
297.04202	1.6
299.05563	2.1
322.59000	1.1
339.08783	4.4
407.07721	33.1
407.63217	1.1
425.08820	33.8
451.10321	6.3
547.35583	1.1
577.13580	100.0
615.85321	1.2
725.32257	1.2
732.85510	1.3
900.27203	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	873.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
79.98755	1.9
97.31229	2.3
100.78748	2.4
109.02968	5.2
115.00358	18.9
120.25143	2.3
125.02442	85.9
133.01439	100.0
135.04530	15.9
137.02443	13.4
151.04025	12.5
160.74947	2.3
161.02412	25.2
164.01105	2.2
165.01944	4.1
174.18475	2.0
175.04041	7.8
177.01932	2.9
179.03503	28.9
187.04106	3.2
203.07193	9.3
205.01413	2.7
205.05109	8.8
217.05043	2.7
229.05074	3.7
243.03038	3.9
245.04788	3.4
245.08215	21.6
247.79767	2.2
255.02988	5.0
256.03732	3.1
273.04071	2.4
281.04550	2.4
285.04080	4.3
287.05634	8.2
289.07166	40.4
295.04645	12.5
339.08731	3.9
407.07727	33.8
421.79001	2.2
425.08914	37.7
451.10672	3.6
577.13605	92.0
827.71155	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	873.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51427	2.1
69.54292	2.0
77.01100	2.1
90.45107	2.5
93.03448	3.0
98.66002	2.4
109.02951	16.4
120.02165	2.3
121.02937	28.3
123.04504	4.7
125.02450	37.5
133.02974	2.9
135.05827	2.7
137.02467	22.0
139.03966	9.8
149.02475	4.2
151.04008	3.9
161.02299	3.0
163.00363	11.4
164.01189	48.2
165.01938	69.5
177.01965	3.0
178.02666	9.8
179.03500	15.8
193.01422	15.7
203.07103	2.8
229.04968	2.7
243.02892	9.3
253.04930	2.8
255.02849	13.1
256.03815	2.7
257.04529	5.9
267.06610	3.7
269.04410	4.4
271.06134	28.6
273.07730	3.4
282.01617	5.0
283.02411	12.8
284.03311	4.1
285.04013	17.2
285.07266	4.2
297.04028	5.0
298.04956	3.9
299.05569	9.7
300.02713	13.2
301.03635	3.2
301.06769	2.7
312.02780	21.9
315.05109	48.4
325.03708	3.6
329.06696	11.7
331.08197	5.1
355.04633	3.6
375.09021	2.8
393.10480	3.1
417.06268	2.8
419.03476	4.9
419.08398	4.3
433.05188	3.5
465.46790	2.3
467.09799	13.2
569.10870	24.6
587.11163	3.5
601.13550	100.0
640.12555	3.2
641.13422	5.4
705.12732	13.1
719.14691	8.5
737.15039	16.1
747.17615	11.7
781.91168	2.9
786.34027	2.9
841.17371	3.1
873.20361	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05674	1.0
68.45057	1.1
69.66030	1.0
93.03444	2.3
109.02929	5.7
112.83093	1.3
121.02968	15.8
125.02453	9.1
129.61476	1.1
133.02960	4.9
137.02440	10.2
139.04042	1.7
149.02437	5.2
158.95052	1.2
163.00348	4.5
164.01149	34.4
165.01942	44.8
175.00383	2.0
176.01134	2.1
177.01962	1.8
179.03554	2.4
187.04051	1.3
191.03465	2.8
193.01457	5.6
203.07040	1.4
229.04929	4.5
231.06712	2.6
242.02309	1.4
243.02887	1.4
253.05074	4.3
255.02992	2.5
256.03802	1.3
257.04547	11.8
259.06104	2.5
261.04160	2.2
269.00937	7.7
269.04480	5.2
271.02573	6.0
271.06082	7.3
283.02499	5.9
284.03207	1.3
285.04327	1.3
285.07523	1.4
287.05612	1.8
291.06812	1.4
293.04459	2.0
296.03320	2.3
297.04095	1.4
298.01154	4.5
299.05618	2.6
300.02756	6.1
301.03564	5.0
307.06006	1.3
309.04251	1.7
309.07632	5.4
311.05521	2.5
315.05154	44.4
321.04108	4.2
340.02350	1.8
353.06747	9.4
354.03857	1.5
355.04703	1.5
361.07111	5.7
365.10403	1.6
375.04880	2.5
377.06735	1.9
389.06696	1.5
392.01025	1.3
393.09894	7.8
401.06345	2.1
405.05795	1.6
419.08160	2.1
420.05438	1.4
447.07114	5.8
451.06866	4.6
461.09012	1.6
475.06232	1.3
503.09753	5.8
543.13165	2.7
555.09283	2.7
557.14600	5.8
587.12006	100.0
626.10791	5.3
705.13287	1.3
715.15063	1.7
719.14551	11.0
733.15588	13.3
737.15442	2.5
852.68115	1.3
855.19733	5.9
873.20471	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71577	0.8
64.46158	0.9
71.01379	10.6
77.42599	1.0
83.79186	0.8
92.54694	1.0
115.00351	12.9
119.05022	33.4
133.01425	66.3
151.00354	1.5
156.18939	0.9
159.14838	0.9
163.04010	100.0
173.02899	0.8
224.83957	0.9
255.03000	3.6
265.35617	1.0
279.05103	25.8
284.03271	46.0
285.04044	51.4
494.74072	1.0
516.43750	1.0
593.15186	71.1
607.62195	1.1
611.88959	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	873.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85933	1.6
61.98836	100.0
63.75741	1.2
67.67336	1.2
78.08003	1.2
80.21192	1.4
88.46173	1.7
88.77554	1.3
100.95126	1.5
102.72498	1.3
121.02982	3.0
183.74191	1.5
187.26982	1.4
197.44493	1.4
361.56699	1.4
422.00272	1.4
738.41681	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	873.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.98240	0.7
76.53633	0.7
78.87231	0.7
80.95821	0.7
103.33182	0.8
129.27155	0.8
204.43086	0.7
215.70116	0.9
274.08835	0.8
392.04486	0.8
461.83374	0.7
468.17920	0.9
479.21048	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	873.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82413	0.7
78.95917	3.4
88.69893	0.6
110.98510	4.3
148.59180	0.7
158.01611	0.7
167.01097	8.4
185.02193	4.0
237.02733	0.8
255.23303	75.7
261.84891	0.8
281.24866	100.0
423.25211	33.5
449.26801	47.5
660.40143	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	874.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97581	0.6
67.21886	0.7
72.99304	4.3
73.02932	0.8
92.20080	1.5
126.59991	0.7
190.08736	38.9
193.86552	0.7
201.05562	0.7
201.71466	0.6
206.26785	0.7
208.09790	100.0
231.27968	0.7
232.09807	1.3
250.10835	28.0
317.96021	0.6
341.13968	0.8
670.29456	0.9
688.29767	6.1
730.30890	83.8
772.32159	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	875.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	2.1
71.76276	1.8
75.01544	1.6
81.03452	1.9
81.63564	1.7
92.19489	2.4
104.66844	1.8
109.02950	4.5
119.07073	2.1
125.02440	19.3
133.03023	2.2
135.04501	2.1
137.02444	34.3
153.01909	2.2
161.02483	2.3
163.00325	7.8
164.01164	26.6
165.01945	37.5
177.01949	8.4
182.81088	2.2
190.99770	3.5
193.01491	2.9
229.05144	3.0
243.02995	9.4
253.05093	3.2
255.02922	9.5
257.04599	3.7
269.00977	2.7
269.04446	3.6
271.06177	7.4
282.01685	4.4
283.02475	4.0
299.05554	2.8
311.05634	2.5
315.05161	26.3
316.02252	2.7
321.03720	2.5
331.04709	23.8
353.06656	8.5
393.09695	4.1
417.06232	3.5
603.11487	100.0
713.96594	1.8
721.12097	13.7
749.15204	10.9
857.18738	2.4
875.18225	31.4
886.17651	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	875.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30799	3.5
71.85789	2.9
92.19379	6.5
125.02440	100.0
137.02460	18.6
139.04007	15.8
151.04028	5.9
161.02409	4.4
163.00366	90.5
164.01152	17.4
177.01906	30.3
179.03500	6.7
219.02972	4.7
227.03430	5.4
229.04848	5.4
243.02939	15.3
255.02925	35.3
256.03610	4.2
257.04593	7.4
271.05893	4.1
299.05536	6.1
312.95065	3.5
345.07480	4.3
373.06946	3.9
375.07278	15.6
435.07214	27.7
439.10410	3.8
483.09317	27.3
510.77911	4.5
601.10107	5.0
629.13251	14.9
755.16492	68.6
875.18719	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	875.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	4.4
77.07508	0.5
80.42943	0.5
83.19850	0.5
89.74001	0.5
91.58110	0.5
92.20033	0.7
115.00374	4.2
119.05018	4.3
123.44785	0.5
123.58318	0.5
133.00461	0.8
133.01427	15.0
149.02426	2.7
151.00380	5.5
163.03995	8.5
164.04773	9.6
178.99849	3.8
179.07114	0.8
194.43375	0.5
208.03764	3.0
219.41855	0.5
223.06114	27.2
254.02144	0.5
255.03050	3.1
271.02478	6.0
273.03922	0.7
279.05054	2.2
300.02759	100.0
301.03534	37.3
339.07217	4.1
343.04361	0.9
549.89752	0.8
573.92188	0.5
595.13098	86.5
660.62262	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	875.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88483	1.3
85.62206	1.3
93.03430	2.0
95.05031	1.6
103.70213	1.4
109.02959	16.2
122.03664	5.0
123.04512	39.5
124.01645	3.2
125.02413	2.3
133.02934	7.5
134.03682	1.4
136.01663	3.0
137.02423	1.8
139.04012	17.0
145.03020	2.2
146.89252	1.4
150.03230	2.0
151.03995	33.8
161.02441	2.6
163.00368	41.2
163.04007	7.1
164.01151	65.1
177.01993	1.4
178.02715	44.4
179.03503	100.0
181.05008	1.3
191.03577	10.2
193.05064	3.1
202.99783	1.4
219.02940	3.0
226.06351	2.4
241.04990	2.4
242.05867	2.4
257.04559	7.5
257.08176	7.3
267.06638	8.6
269.04520	14.4
270.05377	20.8
271.02728	2.1
271.06024	2.2
277.29785	1.7
281.04529	1.8
283.06070	2.1
285.07706	52.3
296.03198	8.3
297.04016	5.4
298.04648	2.1
299.05533	11.4
303.08698	23.4
309.04108	6.1
311.05545	3.1
347.68857	1.5
403.08240	1.9
405.09662	2.1
421.09125	17.7
435.10904	10.7
464.10931	2.4
539.13177	1.9
557.14618	3.3
571.16180	51.8
589.17224	45.5
667.46667	1.5
707.17548	13.6
843.22443	1.8
875.25598	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17712	0.9
64.64539	1.0
65.63732	1.0
65.99444	1.0
67.80437	1.0
79.88157	1.0
93.03495	1.8
95.04990	1.3
109.02962	16.0
122.03741	8.0
123.04520	39.5
124.01618	5.5
125.02438	2.0
133.02972	4.4
135.04558	1.5
138.03275	1.1
139.04001	19.1
144.35959	1.0
145.02963	1.5
151.04010	26.4
161.02435	5.6
163.00368	35.7
163.04041	8.2
164.01155	57.8
165.01904	1.7
176.01062	1.4
178.02707	46.8
179.03505	100.0
181.05101	1.9
191.03525	5.6
193.05052	2.4
198.32896	1.1
204.00674	4.1
219.02934	4.4
225.05772	1.2
241.04976	1.3
242.05818	1.6
242.36943	1.2
255.06497	2.1
257.04547	9.7
257.08133	5.2
267.06491	9.3
269.04520	4.5
270.05298	15.2
281.04602	2.1
283.02493	1.8
283.06024	1.7
285.04614	1.6
285.07700	39.0
287.09415	1.4
296.03314	6.3
297.04056	5.8
299.05588	6.0
303.08737	21.1
309.04138	2.0
311.05579	1.7
324.06219	1.5
336.78210	1.0
343.08478	1.7
354.69846	1.1
403.07974	2.4
421.09152	11.2
425.12405	1.5
435.10977	10.3
449.12698	2.3
464.11267	1.7
534.87372	1.1
539.13293	2.2
553.14423	1.6
557.14648	5.3
571.16119	54.5
589.17267	46.7
707.17737	14.4
843.23132	2.5
875.25665	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	875.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
74.60430	1.5
93.03444	2.3
108.02180	3.1
109.02922	13.3
115.36271	1.8
122.03731	3.7
123.04522	29.7
124.01696	4.0
125.02431	3.2
133.02965	3.5
136.95366	2.0
139.03989	12.5
151.04019	29.0
161.02444	2.3
163.00362	30.7
163.03999	8.0
164.01163	46.3
165.01947	2.8
176.01045	2.0
178.02744	39.8
179.03500	100.0
181.35115	1.8
191.03479	2.6
204.00803	2.1
209.06158	2.0
219.03044	2.4
255.06642	1.9
257.04642	8.4
257.08072	3.6
267.06558	8.5
269.04642	16.7
270.05240	16.2
271.06201	2.9
283.02252	2.3
285.07675	40.8
287.09238	2.3
296.03394	2.1
297.03986	3.6
299.05585	3.7
303.08759	16.8
309.04123	3.2
393.09674	1.9
421.09143	11.9
425.12985	2.0
435.10733	11.0
557.14600	6.8
571.16229	46.8
589.17218	42.8
640.34827	2.1
707.17584	11.8
721.18304	1.8
768.82318	1.9
860.88312	1.8
875.25494	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
85.21185	2.6
87.25158	2.2
104.86861	2.1
112.71427	2.3
113.03143	2.2
119.35499	2.2
121.02951	70.7
134.93817	2.5
147.04521	100.0
233.85443	2.4
414.32333	2.6
450.39795	3.1
480.31833	2.9
514.10309	2.7
689.26105	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	877.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
74.53481	1.9
78.74556	1.9
109.02940	21.3
111.04533	30.7
115.94774	1.9
121.42204	2.1
123.00893	3.4
123.04493	4.0
124.01622	2.7
125.02449	44.7
133.02913	3.6
137.02473	20.7
138.03256	15.5
139.04012	100.0
151.04007	11.6
161.02423	8.6
163.00398	19.0
163.99767	2.8
164.01146	85.3
165.01939	20.6
166.02664	2.1
167.03458	13.2
177.01924	24.3
178.02747	25.0
179.03494	81.8
185.06009	2.2
203.07120	4.1
204.00577	2.5
223.16725	2.0
228.04445	2.5
229.04961	4.0
239.07201	2.1
255.02878	4.4
256.03632	3.9
257.04498	10.4
267.06622	2.3
269.04550	15.5
270.05301	8.2
271.06116	26.6
282.01672	4.8
285.07587	11.9
297.03979	9.4
299.05649	8.8
309.04163	3.9
311.05530	3.3
316.05789	2.6
319.08243	31.4
437.08783	12.6
451.10355	4.5
465.12045	3.8
512.26501	2.2
557.14539	23.7
573.14575	3.8
605.16931	92.0
686.06396	2.3
709.15881	11.7
723.17126	10.6
751.20294	9.8
769.91437	2.3
845.21033	2.8
877.23480	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92479	1.2
83.73862	1.3
84.31003	1.2
86.88683	1.1
93.03442	2.1
109.02943	12.1
111.04513	12.8
123.04534	2.5
125.02433	38.2
133.02936	5.1
137.02449	26.0
138.03226	5.3
139.03009	1.9
139.04016	38.6
142.85008	1.3
144.50714	1.4
151.04013	1.8
163.00360	7.5
164.01155	100.0
165.01942	25.5
167.03458	5.5
176.01237	4.3
177.01939	10.7
178.02675	1.8
179.03546	19.0
185.06094	2.8
187.03978	7.4
191.03535	9.6
199.07773	1.4
202.99915	2.7
203.07118	6.9
214.44350	1.2
227.07140	5.0
228.04372	2.4
229.05154	5.1
253.05183	2.4
255.03091	2.2
256.03857	2.8
257.04559	2.3
269.04556	2.3
270.05209	2.4
271.06076	24.8
275.08936	1.6
282.01636	1.9
283.02448	1.9
285.04367	1.7
285.07544	2.5
293.04736	1.8
297.04041	2.1
299.05795	2.0
314.04410	1.9
319.08231	10.5
410.17398	1.3
411.10834	9.9
417.09891	1.8
421.09238	8.1
437.08707	7.9
450.09326	2.2
465.12509	2.3
507.12918	2.3
539.13446	6.1
557.14606	83.7
569.11377	1.6
591.15149	22.0
737.18488	6.2
741.18304	3.1
859.23370	2.5
877.23615	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	877.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	3.3
83.01380	2.1
92.19472	6.8
93.03506	2.4
105.76951	1.9
109.03004	14.1
111.04502	13.9
121.02918	3.6
123.04512	8.1
124.01720	2.3
125.02428	52.5
133.03017	6.8
137.02460	37.1
138.03239	10.7
139.04007	37.5
151.03983	4.7
161.02423	9.9
161.06169	2.1
163.00337	11.5
164.01157	100.0
165.01933	21.3
167.03476	8.2
176.01071	7.5
177.01926	15.7
178.02652	3.7
179.03481	24.3
179.04759	1.9
185.06096	3.0
187.03944	3.2
191.03481	12.4
191.05685	1.8
192.87930	2.2
202.99867	3.6
203.07173	12.7
216.71939	2.3
228.04355	3.2
229.04994	4.0
245.04573	1.9
253.04893	2.6
255.02873	2.8
257.04523	2.9
269.04474	2.9
270.05347	4.9
271.06155	29.7
283.02576	4.3
285.07666	2.7
289.07208	3.4
299.05524	2.1
301.07007	2.5
314.04227	3.3
315.63547	2.4
319.08530	7.1
411.10623	8.9
423.07101	4.9
437.08505	10.6
507.14038	2.6
529.24475	2.4
539.13770	2.8
557.14612	89.7
573.14246	10.4
591.15332	21.4
605.16168	3.6
699.32605	2.1
709.16022	4.9
723.17297	2.5
737.18341	3.7
859.23602	2.9
873.89612	2.3
877.22461	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
90.81214	1.8
92.98120	1.4
93.03452	7.0
97.02977	1.9
99.00802	1.7
109.02942	24.1
109.99646	1.5
111.04514	23.8
123.00861	2.8
123.04514	3.7
125.02441	35.2
133.02937	6.7
137.02449	11.7
138.03238	14.2
139.04021	90.6
151.04022	4.1
161.02451	10.8
163.00415	15.2
164.01169	67.9
165.01900	11.9
166.02667	3.6
167.03481	14.6
177.01971	18.7
178.02739	22.5
179.03513	97.4
191.03508	2.7
193.05148	2.2
203.07181	2.4
204.00697	2.2
219.02940	2.0
243.03000	4.0
245.04518	1.9
255.03006	2.3
255.06587	2.1
256.03647	2.2
257.04495	8.7
267.06442	1.8
269.04532	7.3
270.05255	3.0
271.06128	17.0
282.01633	3.1
283.02469	2.7
285.07712	9.4
287.05295	1.9
296.03275	3.1
299.05466	2.9
309.03845	3.5
319.08286	30.9
359.07773	1.9
437.08789	11.6
451.10349	7.7
465.11935	3.5
497.02090	1.8
557.14429	15.2
573.14020	8.1
579.41132	2.1
605.16748	100.0
647.17505	4.0
679.41064	2.2
709.15875	10.2
723.17621	10.1
751.20435	10.1
877.23730	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
69.03458	0.8
71.01376	11.5
73.02935	2.5
81.03428	0.6
83.01320	0.7
83.71027	0.6
85.02927	1.1
87.00868	0.9
88.02476	0.6
89.02434	11.2
97.03012	0.7
98.26232	0.6
101.02435	9.0
113.02422	3.2
119.03452	1.0
125.02422	3.3
125.09673	1.0
142.53665	0.5
143.03506	0.9
151.11229	1.0
153.12944	0.6
155.62885	0.6
161.04507	1.0
161.09789	1.1
168.62558	0.7
179.10744	4.6
197.11838	74.0
221.06665	3.6
222.01408	0.8
223.09822	1.4
235.08203	0.9
241.10771	5.9
255.20598	1.2
255.23296	38.0
300.84442	0.7
338.25842	0.6
353.21863	0.7
495.96158	0.7
628.55078	0.7
877.48163	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	877.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	5.3
89.02436	11.6
89.52974	3.1
93.20286	2.7
101.02446	11.5
101.89468	2.5
113.02427	4.7
148.01808	2.7
161.09705	4.6
171.67287	2.5
179.10808	3.8
197.11873	43.9
255.23328	56.3
375.27890	3.2
511.75116	3.6
877.48102	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	878.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13415	1.1
62.32572	0.9
64.35847	0.9
67.72064	0.9
68.14120	0.9
88.00432	3.7
88.98809	100.0
89.02454	8.9
100.93134	1.0
114.29018	1.0
125.02419	1.3
135.84158	1.0
161.02451	1.7
167.83710	1.2
225.05164	1.3
352.66794	1.0
805.92688	1.3
878.34814	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	878.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62332	0.3
69.03416	0.3
74.19537	0.3
79.52827	0.3
85.02937	0.7
86.06072	0.4
87.04514	0.6
97.02947	0.8
111.04517	0.8
113.20004	0.3
119.05106	0.3
120.24499	0.4
121.02946	100.0
139.04082	0.4
165.09210	3.1
191.07201	1.6
191.10822	0.4
204.10349	0.4
216.47444	0.3
229.12473	0.6
247.61258	0.4
269.12088	0.4
271.13339	0.5
313.14584	0.6
319.15512	23.9
343.15421	0.6
361.16687	1.7
373.16699	2.1
403.17731	1.8
465.29779	0.4
525.21307	43.0
758.31976	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	878.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27432	4.3
69.79499	3.6
73.02928	5.4
86.06128	7.1
88.98795	21.3
114.23381	5.4
121.02930	100.0
131.64015	4.3
135.65222	5.3
148.47476	4.2
158.77098	5.9
232.09764	5.3
238.60538	5.6
248.06010	5.5
250.10895	7.1
319.15686	17.5
343.85446	5.3
525.21533	9.6
558.10425	5.3
758.32111	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	878.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50393	0.4
61.82212	0.4
63.06324	0.3
69.21286	0.4
74.96971	0.4
115.07648	3.3
121.02951	100.0
128.10820	2.5
165.09177	0.6
204.20100	0.4
274.14554	0.7
292.15640	2.7
325.99023	0.5
542.13177	0.5
576.88086	0.4
588.91864	0.4
696.33734	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	879.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67686	2.7
69.99056	2.8
77.57136	3.2
77.68494	2.9
99.00871	5.5
109.02941	14.0
111.00883	16.6
122.03722	3.9
123.00871	7.2
123.04492	7.0
125.02440	79.7
125.10293	3.3
129.22113	3.7
137.02448	36.1
139.00368	60.5
141.01981	4.8
149.02405	17.7
151.00380	32.4
151.04022	15.4
153.01866	5.2
159.04558	5.7
161.02446	51.8
162.03261	3.7
163.00400	11.7
163.03992	4.9
164.01144	19.1
165.01872	19.0
167.03467	4.6
173.02477	3.4
175.04044	22.5
176.01122	3.4
177.01898	46.5
178.99911	7.1
179.03526	3.9
187.03877	3.5
189.01936	16.8
191.03508	15.5
199.03978	6.5
201.01892	4.1
203.03490	13.9
203.07236	5.4
205.01375	4.9
205.04971	4.4
214.02852	5.7
215.03499	3.8
217.01395	6.1
217.05060	6.8
219.02916	12.9
227.03467	4.0
229.01447	7.3
229.05110	3.8
231.02980	28.8
241.01488	4.9
243.02992	32.6
244.03810	3.6
245.04543	14.1
245.08116	4.9
247.02499	4.6
253.05444	3.3
255.02953	5.9
257.00937	25.6
257.04501	13.2
258.01776	11.7
259.02499	100.0
260.03247	3.9
261.04013	14.5
269.00876	5.7
270.01682	18.7
271.02499	48.2
272.03186	13.3
275.02020	6.2
281.04718	11.7
281.08124	3.1
283.02548	6.5
285.00845	3.9
285.04089	16.1
287.02112	7.7
287.05472	4.6
288.02866	3.5
289.03604	4.5
289.07172	12.3
295.02438	4.4
297.04153	5.3
298.01178	6.9
299.01990	12.9
301.03506	17.7
309.04166	21.4
311.02020	5.5
321.04025	21.1
322.04831	5.7
327.05136	4.6
329.06534	3.4
335.05511	3.9
351.05307	11.0
361.03610	5.8
363.05017	7.4
375.05035	5.7
377.03012	18.7
379.04495	5.4
388.02112	5.3
389.03018	16.6
390.03711	6.2
391.04633	6.8
403.04678	6.4
407.04065	16.5
421.05832	15.9
423.07269	20.5
427.06760	14.6
439.06656	16.2
449.08807	6.7
469.07993	4.6
539.06555	3.9
541.07813	16.9
547.08722	39.3
549.10492	12.4
557.07184	36.2
559.08917	18.8
573.10437	5.4
575.10193	4.7
577.09979	4.9
589.09515	4.6
591.11829	33.3
709.12268	57.6
711.13574	5.0
727.13165	74.9
738.11462	3.9
861.18225	4.3
879.18152	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
74.87986	1.6
81.88450	1.7
83.01408	2.1
83.19740	1.8
101.69695	1.7
109.02962	7.4
123.04501	7.4
125.02442	100.0
127.31000	1.8
137.02452	40.3
139.04053	3.2
149.02512	6.4
151.04015	10.7
161.02457	31.7
163.03979	3.9
164.01163	3.5
165.01889	3.8
175.03975	13.7
177.01985	14.3
179.03473	4.0
181.62689	2.0
187.04010	2.9
188.04909	2.3
203.03473	2.5
203.07184	8.1
205.05014	3.3
215.07082	8.1
217.05014	3.1
219.03114	2.1
229.05103	2.0
241.04761	2.1
243.02957	11.1
245.04523	9.3
245.08244	13.3
255.03008	8.9
257.04623	3.5
271.06088	2.6
273.04053	1.9
281.04407	2.9
282.01776	2.2
287.05731	8.6
289.07199	25.2
297.03885	2.3
299.05603	3.8
301.07224	10.8
340.31229	2.4
375.45151	1.9
407.07690	16.5
419.07761	3.8
425.08475	2.7
437.09274	2.6
439.11133	2.2
451.10556	3.1
575.11975	4.5
577.13202	6.7
589.13318	21.1
591.15472	3.1
601.14301	2.6
709.16168	3.4
727.16992	15.1
753.17981	3.5
879.21967	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	879.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44687	0.3
64.22512	0.3
71.01377	12.2
115.00359	5.4
118.60313	0.4
121.02871	0.5
147.04512	1.7
149.02423	8.6
164.04791	38.2
179.07106	5.5
208.03784	9.1
223.06123	100.0
282.62982	0.4
309.46078	0.5
339.07211	13.4
428.52997	0.4
482.00342	0.4
860.68994	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	879.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62070	1.5
66.40083	1.3
66.95890	1.3
71.01367	10.2
84.68491	1.4
89.02428	6.8
99.00887	26.7
100.36740	1.4
101.02432	10.5
118.88158	1.7
125.09705	2.8
163.11238	3.0
171.10226	2.6
180.79829	1.4
181.12299	10.2
197.11844	7.7
198.12244	1.9
199.13501	2.8
207.10304	23.6
225.11305	40.0
243.12320	16.7
255.23317	37.8
287.68146	1.8
807.62012	2.1
847.30432	2.0
861.50024	2.5
879.49628	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	880.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76925	1.6
92.19461	3.2
109.02937	3.1
121.02955	100.0
124.01647	2.1
125.02444	10.2
129.00360	1.7
137.02431	2.2
161.02423	1.9
172.87515	1.6
206.08197	2.6
289.07138	3.0
319.15506	24.9
427.24646	1.9
472.34207	1.6
525.21338	47.8
710.30780	1.8
728.31226	2.6
880.36884	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	880.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
80.41585	0.4
81.12360	0.5
85.02943	0.9
88.98792	6.0
89.02460	0.9
121.02945	100.0
123.08190	0.5
149.09785	0.6
165.05614	0.7
165.09222	1.0
178.08716	1.0
191.07181	1.0
191.10663	0.6
206.08229	1.2
229.12343	0.6
231.10252	0.5
233.11923	0.7
234.07796	0.9
252.08752	2.6
266.47552	0.5
315.27289	0.5
319.15503	23.1
343.15292	0.8
361.16580	1.0
373.16766	2.2
403.17746	2.3
525.21307	49.2
760.29596	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	881.1948
Annotation	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
61.53180	0.8
68.68852	1.0
83.01384	1.7
92.19419	1.2
98.08349	1.0
98.99411	1.1
109.02930	4.5
112.38481	1.0
123.00924	1.1
123.04522	4.7
125.02438	100.0
130.20003	1.0
137.02428	12.0
139.03986	1.7
149.02425	2.2
151.04013	10.5
161.02422	22.9
161.06105	1.3
163.00385	1.2
163.03983	4.5
164.01167	5.2
165.01996	8.1
167.03479	4.7
175.03979	16.3
176.01143	1.3
177.01924	47.4
179.03514	5.4
187.03947	2.4
188.04726	1.7
189.01924	1.2
191.03433	1.8
203.03494	2.3
203.07120	2.4
205.01353	1.1
205.05009	5.3
217.01492	1.1
217.05054	12.9
219.02948	6.5
219.06577	3.9
229.05057	2.3
231.02904	1.9
241.04985	1.1
243.02960	33.6
245.04524	8.7
245.08212	7.3
255.02931	7.7
257.04678	1.4
261.04004	12.3
269.04422	2.1
273.04037	1.9
281.04465	1.5
282.01685	1.3
283.02615	4.5
285.04068	6.1
287.05508	10.3
289.07202	14.4
297.04208	1.5
303.05185	4.5
305.06790	5.2
311.70325	1.2
339.08905	1.5
341.06787	1.2
391.04733	1.8
395.07770	1.1
407.07785	17.0
413.08737	7.6
423.07227	8.2
425.08633	6.4
451.10809	1.2
465.08221	2.1
467.09912	5.8
525.08087	5.5
535.46021	1.2
543.09436	4.4
561.10498	2.1
575.11945	4.9
577.13629	4.0
587.12012	2.1
591.11487	9.6
593.12982	12.1
691.01526	1.4
695.13837	8.9
711.13458	7.5
713.14703	8.9
729.14789	5.5
755.16974	9.0
755.28882	1.0
881.03918	1.9
881.19403	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00357	1.1
107.05088	1.0
109.02930	5.8
123.04540	1.7
125.02438	100.0
137.02486	13.8
139.04015	4.9
142.78531	1.0
149.02357	0.9
151.04012	11.2
161.02452	18.4
162.03099	1.2
163.00313	1.7
163.03975	2.2
164.01132	4.4
165.01968	8.7
167.03461	6.5
175.03995	14.7
176.01265	1.1
177.01930	43.9
177.03487	1.4
179.03477	4.2
193.05029	1.1
201.05539	1.4
203.03674	1.6
203.07129	2.1
205.05113	4.8
206.85567	1.1
211.03867	1.6
215.03499	1.3
217.05026	9.3
219.02980	5.8
219.06581	1.7
221.04588	1.2
229.05109	1.4
243.02975	31.5
245.04565	9.2
245.08156	6.9
253.05009	1.7
255.02863	7.3
256.03702	1.9
259.06158	1.3
261.04041	7.4
269.04459	1.7
273.03937	2.0
282.01770	1.6
283.02481	7.6
284.90616	1.1
285.04007	3.9
287.05582	6.9
289.07132	13.3
297.04080	4.4
299.05624	1.4
303.05011	2.4
305.06659	4.2
339.08624	1.3
387.04922	2.0
407.07785	13.7
413.08664	5.2
423.07266	6.9
425.09033	8.0
467.09760	5.5
480.81250	1.1
543.09485	1.3
575.12006	6.6
591.11029	7.2
593.12933	16.2
695.14325	7.4
711.13739	7.1
713.15802	7.4
723.63373	1.1
729.14545	5.3
755.15967	4.8
858.49750	1.3
881.19482	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
92.18191	0.5
121.02940	6.6
122.03316	1.9
143.15166	0.5
147.68753	0.4
149.13586	0.4
217.38031	0.4
320.15991	0.6
526.22015	1.0
527.22656	0.9
528.22333	0.7
676.76721	0.5
761.32837	0.5
830.82648	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	881.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
72.99295	1.2
75.00863	10.8
92.20129	3.0
115.06857	0.9
121.02962	10.0
122.03272	4.7
125.02445	1.7
165.05154	0.9
232.09721	1.0
277.53802	1.0
365.81064	1.0
526.21881	1.3
543.33496	1.2
665.69226	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	881.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
77.91202	1.8
81.33704	1.8
84.71796	1.7
92.19404	2.2
92.26115	1.6
116.41699	1.7
125.02426	9.5
137.02417	3.0
151.04102	2.3
165.01712	1.6
177.01897	3.4
243.02905	2.7
269.74677	2.1
271.54617	1.9
287.05417	2.1
509.23941	100.0
509.31555	4.0
576.54462	2.2
700.30957	1.9
877.81549	2.2
881.21283	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	882.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02077	1.4
72.99317	2.2
99.36163	1.7
114.85796	1.6
121.02959	65.0
147.60040	2.0
194.23834	1.8
235.36826	1.7
258.06259	1.7
278.14005	13.4
282.83405	1.8
319.15515	20.1
403.17804	1.9
408.82986	1.9
442.94046	1.8
525.21442	28.8
786.35718	2.3
822.32947	3.7
882.34863	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	882.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
73.64626	16.6
81.17874	15.8
98.62437	16.9
119.89479	18.7
229.93983	20.6
353.06442	20.1
448.42798	21.5
868.42450	21.7
882.34851	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	883.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
72.46061	1.0
79.89877	1.0
94.02702	1.0
107.01378	2.2
125.02433	12.3
137.02443	4.4
151.00378	25.9
165.01953	1.3
167.03464	1.5
169.01476	1.2
177.01938	1.5
178.99863	45.7
179.03366	2.2
193.01421	9.5
193.02917	1.1
203.03516	4.2
205.01501	4.2
207.03029	3.7
211.03841	1.3
213.05579	1.3
215.03470	4.4
227.03540	2.1
228.04263	1.6
229.01324	4.1
229.05000	6.4
231.03000	4.3
239.03491	2.2
241.05145	2.2
242.02101	1.4
243.02924	5.7
247.02400	1.8
255.02979	2.3
255.06480	2.5
256.03818	6.3
257.04568	6.1
265.05154	1.3
267.03091	1.7
269.04486	2.2
281.04514	5.5
283.06085	1.6
293.04474	1.3
299.05411	1.4
307.06137	1.1
311.05438	1.3
319.06198	1.6
321.04214	1.1
333.03992	1.7
335.05756	1.3
337.03314	2.0
345.04034	1.8
349.03339	1.4
350.04251	12.4
351.05002	6.4
352.05737	1.2
361.03366	1.8
363.05106	12.0
367.04800	7.4
373.03479	3.8
374.04654	1.2
379.04620	6.2
380.05460	9.5
381.06082	6.4
387.05029	2.0
390.03821	8.3
391.04654	17.8
401.02896	12.0
403.04678	2.0
408.04858	6.2
409.05759	3.9
418.03006	4.0
419.04114	70.3
421.05731	1.4
511.24484	1.8
539.06885	1.6
557.07574	4.5
575.08325	23.9
715.15186	2.5
717.17627	1.3
727.15466	1.5
745.16168	12.6
839.21918	1.3
883.19458	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	883.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	1.2
73.25182	0.9
83.01379	1.4
83.85680	0.9
113.60394	1.1
115.99285	0.9
125.02432	11.7
134.47197	1.0
137.02452	2.5
151.00366	23.1
164.01219	1.2
165.01929	1.5
167.03467	2.3
177.01907	1.8
178.99867	42.3
193.01477	7.4
193.05081	1.2
203.03438	1.3
205.01375	5.9
207.03015	4.2
215.03467	2.4
219.03008	2.1
227.03456	2.0
228.04147	1.9
229.01350	5.2
229.05034	6.0
231.03000	1.4
239.03529	1.5
243.02942	6.3
247.02499	4.8
255.02997	5.1
255.06627	2.5
256.03790	7.8
257.04498	5.3
267.02960	1.6
267.06589	1.2
281.04590	5.9
283.02603	1.3
283.05981	1.2
307.06015	2.2
315.20377	1.1
321.04218	1.9
333.03906	1.8
333.07556	1.2
335.05667	1.9
345.04028	2.1
349.03372	1.5
350.04437	14.4
351.05176	5.5
361.03781	2.0
363.05240	12.0
365.02899	1.2
367.04578	5.3
373.03458	5.4
375.05023	2.2
377.06631	2.5
379.04584	4.8
380.05447	7.3
381.06046	5.3
390.03848	5.7
391.04691	17.3
401.02832	8.5
408.04715	4.6
409.05539	4.6
418.03140	5.0
419.04089	65.9
431.04254	2.3
557.07025	2.4
575.08435	27.3
715.14734	2.5
727.15332	1.9
730.82599	1.1
745.16461	15.2
753.65344	1.1
845.75336	1.1
883.19513	100.0
899.20062	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	883.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02971	1.6
74.02475	9.3
75.55107	0.4
81.65117	0.3
92.85055	0.3
98.02496	1.6
101.69839	0.3
116.03530	4.5
116.05063	2.1
125.02511	0.4
151.00417	1.8
163.00410	0.7
167.50992	0.4
174.03340	0.5
201.10387	2.0
203.06389	0.7
203.08282	18.7
213.05354	0.4
214.62279	0.4
227.03461	2.2
229.05042	2.8
241.05161	0.5
245.09334	21.4
255.03001	7.7
256.03748	0.7
257.04514	3.3
284.03281	76.4
285.04059	91.6
289.08292	0.6
327.05096	0.9
355.15210	0.5
359.15427	0.4
568.50128	0.5
593.15192	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	883.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.44706	0.4
81.36520	0.5
81.56791	0.4
85.14346	0.4
85.62889	0.4
92.19480	0.4
110.31969	0.5
121.02963	3.2
122.03282	0.6
125.02487	0.7
147.54567	0.5
289.61432	0.4
313.14877	0.4
375.31958	0.4
410.99231	0.4
521.22900	0.5
526.21814	0.5
566.26868	0.5
883.31744	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	883.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48479	0.5
78.50991	0.7
90.18236	0.6
95.36163	0.6
108.02154	0.9
109.02983	0.8
119.01298	0.6
121.02966	1.0
122.03662	0.8
124.01678	0.7
132.13907	0.6
136.01648	7.7
136.05287	2.4
137.06091	25.6
151.04010	11.6
176.04764	0.8
191.07167	0.7
207.06679	1.1
209.04565	100.0
213.28078	0.6
262.68320	0.6
262.93033	0.6
265.07239	0.8
298.08685	0.8
307.42169	0.6
313.10754	2.2
336.20880	0.6
389.12457	11.5
493.31540	0.8
516.55640	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	883.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13676	0.5
71.01003	0.5
71.01382	15.2
73.02919	0.5
78.36526	0.4
78.46152	0.4
81.03455	1.8
83.01386	0.8
85.02953	2.4
88.02779	0.4
89.02443	24.5
95.01379	0.8
97.02974	0.5
99.04509	3.7
101.01807	0.7
101.02446	15.7
113.02445	9.1
115.04014	2.0
119.03497	8.3
129.48683	0.4
143.03502	0.8
149.66795	0.4
169.12360	0.7
179.05592	0.8
181.12234	0.8
193.15990	12.7
209.15454	0.6
219.69342	0.5
237.14949	4.3
273.17047	0.5
435.22391	100.0
458.32480	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	884.352
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	8.3
85.55467	0.8
85.62055	0.7
91.05537	19.0
92.19407	2.1
109.02942	1.2
111.04513	1.7
119.05003	8.6
121.02954	100.0
134.06131	13.4
135.04509	0.9
135.88301	0.8
149.09729	1.0
163.04025	10.8
165.09201	0.9
176.07161	1.7
191.07101	0.8
237.07986	3.4
247.13402	4.0
252.10239	8.3
280.09857	6.8
298.10855	26.6
313.14453	1.5
331.15564	10.0
340.12048	1.4
361.16656	1.3
393.13943	0.8
458.76880	1.0
495.20303	4.0
537.21313	3.9
630.27747	1.2
647.25024	21.2
672.28125	13.3
689.25793	7.5
837.67010	0.9
911.40833	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	886.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	12.2
75.00874	100.0
76.20162	2.1
111.04498	6.0
121.02962	63.2
177.19711	2.5
206.85835	2.3
210.09259	12.4
211.95039	2.5
215.16397	2.5
238.08755	35.6
240.83537	2.2
246.04559	2.4
247.13377	22.3
265.14484	9.9
266.08249	11.2
277.42847	2.5
284.09192	10.0
391.17502	4.9
471.44177	2.7
501.21249	11.8
543.22040	3.3
666.24213	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	886.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87286	5.5
67.96299	5.1
72.80496	5.5
72.99295	23.2
76.34118	5.3
96.51154	6.3
137.57547	5.2
143.68304	6.1
165.14098	6.4
190.08842	11.0
208.09830	100.0
279.05154	6.3
368.76682	5.5
370.95508	6.5
664.81177	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	886.388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98378	12.6
62.60937	14.3
66.76203	13.0
68.67428	13.0
72.99307	15.1
92.19417	27.3
96.96934	15.7
154.48228	14.4
166.17279	15.4
167.02116	15.1
189.84201	14.8
205.08704	15.8
208.09796	80.6
250.10938	100.0
529.13666	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	886.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00532	11.5
76.26848	10.7
165.31688	11.4
190.08710	14.8
208.09848	79.5
240.91570	11.3
250.10938	100.0
257.13693	10.0
355.75064	11.6
409.68292	12.0
411.33466	11.2
539.11871	12.4
583.46973	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	886.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86770	7.0
72.99308	16.6
79.62247	7.1
96.92481	6.1
119.83619	7.5
155.57521	6.9
190.08763	29.5
208.09787	100.0
258.91357	7.0
424.39771	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	886.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99275	9.9
140.50885	8.4
152.33336	8.9
173.44983	8.5
190.08679	13.5
194.44560	8.0
208.09746	100.0
264.61252	9.3
425.07846	8.8
856.08508	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	887.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02951	4.1
123.04492	15.4
125.02388	6.3
158.19128	3.3
163.00336	6.0
178.02731	3.5
179.03490	15.1
260.14209	3.7
269.04608	18.1
271.42261	3.8
282.01587	16.0
283.02429	19.4
283.05777	4.2
297.03998	41.2
298.04843	40.9
299.05603	6.4
313.82431	4.1
337.07275	4.5
417.06439	8.4
576.64191	4.5
601.13745	29.1
887.22021	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	887.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87110	2.4
66.57565	2.4
67.47578	2.3
78.09911	2.5
82.19247	2.5
82.62812	2.4
89.45045	2.3
93.03455	4.9
95.24415	2.7
104.05194	2.6
109.02963	16.5
121.02981	34.4
123.04530	4.4
125.02483	3.4
137.02469	5.4
139.04015	21.6
149.02429	11.5
151.04015	4.7
153.01926	6.7
163.00360	29.8
164.01178	26.8
165.01938	100.0
175.00346	5.4
178.02728	24.9
179.03496	38.6
193.01428	18.5
257.04633	26.4
267.06665	3.4
269.01071	2.8
269.04553	22.3
270.05331	5.1
271.02573	5.6
271.06134	13.8
273.07678	6.1
281.04514	4.1
283.02573	21.2
285.04062	51.9
285.07617	14.9
296.03271	13.9
297.00531	3.8
297.03995	3.9
299.05566	3.7
300.02808	22.4
301.03510	5.1
312.02783	42.2
313.03583	11.1
313.07111	5.7
315.05185	67.5
317.06580	3.9
325.03595	5.0
329.06659	17.1
331.08221	10.4
365.87430	3.4
375.08826	3.8
377.27859	3.2
407.07471	4.4
413.25638	4.0
419.03223	21.9
419.08612	5.6
428.15060	2.9
435.06720	8.4
435.17917	5.5
447.06989	6.5
467.09836	18.2
471.26071	3.0
569.10822	61.8
571.16339	4.9
579.39575	3.0
587.11151	3.3
601.13629	97.5
640.12500	4.8
719.14539	22.9
733.16290	4.8
747.17627	12.2
759.16315	3.5
855.20038	19.9
855.57306	3.6
887.22028	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	887.294
Annotation	Unknow
Peak:m/z	Relative Intensity
74.24747	1.1
91.53762	1.2
109.02968	2.2
125.02383	3.0
133.02901	1.2
137.02461	6.8
137.45404	1.3
161.02400	2.9
161.06061	1.6
164.01273	1.3
179.03517	1.6
203.07240	2.6
205.05122	2.1
245.08176	7.8
264.19635	1.3
275.94415	1.2
289.07114	10.6
336.09863	2.2
336.69482	1.3
363.53214	1.3
391.18988	2.0
435.18146	100.0
447.18268	6.7
451.11011	2.1
474.16812	6.4
475.17429	7.0
476.66263	1.5
579.20508	2.1
583.19470	2.0
597.21289	17.9
717.23413	2.9
735.25012	9.2
854.53296	1.7
887.29791	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.1
71.01368	10.6
73.21248	1.8
89.02430	16.5
91.31551	2.0
93.76331	1.9
96.80717	2.0
98.33157	2.1
101.02435	15.9
113.02448	7.7
125.02464	4.7
128.04619	2.2
143.29443	2.0
162.58459	2.0
167.10753	3.3
171.66386	2.1
179.14404	4.6
195.13884	18.7
205.12338	21.4
221.27319	1.9
223.13383	100.0
397.13510	8.9
560.41455	2.1
603.26392	18.8
621.27795	12.8
809.39697	28.3
827.40955	61.6
912.29230	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	889.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
73.11564	4.3
95.95851	3.6
100.49337	3.9
109.02921	21.4
113.74556	3.9
121.02962	9.1
123.04495	6.9
124.01658	5.1
125.02452	79.2
126.72099	3.7
133.02966	5.1
135.04468	5.3
137.02464	63.2
139.03990	16.6
141.24974	4.2
149.02388	4.3
151.04015	18.4
161.02448	26.4
163.00368	9.5
164.01184	61.7
165.01930	94.5
176.01057	3.8
177.01921	8.7
179.03484	18.1
187.04042	5.5
190.99925	9.4
191.03586	7.0
193.01530	6.7
205.05124	4.6
229.05118	9.0
243.03017	6.4
245.08217	7.4
253.05098	8.1
257.04541	29.1
269.00925	9.3
269.04651	15.5
271.06128	16.3
283.06082	4.8
284.03198	23.1
287.05518	15.2
289.07169	23.0
296.03305	5.5
297.04071	7.8
298.01309	6.3
299.05698	46.3
315.05142	48.4
316.02191	5.1
319.06406	4.2
331.04538	41.0
353.06641	20.9
363.45929	4.3
393.09778	6.6
393.20795	4.5
407.07797	19.5
425.08591	8.0
459.08768	4.5
577.13751	36.0
585.14130	27.6
587.12006	7.9
603.11481	100.0
643.98834	4.5
645.50793	4.4
716.29791	5.4
735.13824	16.7
741.35492	4.7
749.15192	8.2
871.19775	5.2
889.19592	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
81.86203	2.8
109.02943	4.6
116.53494	2.7
121.02951	3.1
123.04490	5.8
125.02443	38.4
137.02438	15.1
139.04039	6.4
151.04031	6.5
161.02490	4.3
163.00366	14.8
164.01147	35.9
165.01878	6.4
165.05641	4.3
175.00352	4.6
177.01965	24.7
178.02756	3.2
179.03508	7.2
189.46124	2.9
205.01653	2.9
212.40999	2.9
214.14395	3.1
227.03520	5.3
229.05162	4.2
239.03581	4.0
241.04926	5.1
243.02998	6.0
251.03474	7.0
255.02995	24.3
257.04581	21.0
259.06165	7.1
267.02896	3.8
269.04605	23.8
271.06134	13.0
271.09653	2.8
279.03003	71.5
280.03720	13.3
281.04556	4.8
282.01755	19.4
283.02509	11.6
284.03244	5.8
287.05136	3.3
295.02524	6.7
297.04068	64.9
298.04874	21.5
299.05609	18.0
303.09027	4.3
307.02383	4.3
313.03568	3.9
401.95743	3.6
419.07703	17.1
437.08405	3.3
459.07156	3.9
569.10675	4.8
585.60797	3.6
599.12183	5.9
617.13263	81.4
691.14441	6.2
728.68622	4.0
753.16650	14.3
763.16870	4.8
871.18262	6.7
889.19775	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	889.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
74.45428	1.3
80.18636	1.5
87.82303	1.5
87.92915	1.4
109.02946	13.8
111.04498	7.7
112.64757	1.8
121.02891	2.7
123.04484	5.8
125.02427	22.0
133.02901	2.1
137.02408	13.7
138.03189	2.1
139.04018	26.7
149.02426	1.8
151.03915	2.7
161.02426	3.0
163.00345	8.7
164.01157	26.4
165.01959	12.1
167.03503	2.3
175.00343	1.7
177.01907	26.4
178.02701	2.6
179.03519	17.8
220.17879	1.5
243.02924	2.2
245.04317	1.9
254.02170	2.5
255.03027	6.4
256.03839	2.0
257.04608	1.9
269.04541	14.6
271.06070	3.5
282.01682	20.4
283.02496	23.4
284.03180	3.6
297.04031	40.7
298.04813	45.8
299.05630	17.7
303.08755	1.8
322.04816	2.1
323.01831	2.5
324.02640	1.8
337.03448	2.1
337.07129	7.6
339.05045	3.6
374.04303	3.1
375.04971	2.5
386.04291	7.0
390.07675	1.7
401.06790	2.7
402.03720	2.8
403.04672	2.9
407.35239	1.9
418.07205	2.3
449.08453	2.5
477.07730	2.6
481.11771	1.7
569.10999	2.6
603.11151	3.5
604.12048	3.3
617.13165	59.7
735.14545	2.6
753.18176	17.0
889.19916	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	889.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45014	0.4
67.39496	0.4
71.01393	0.6
78.25462	0.4
90.76846	0.4
92.19440	0.7
119.05006	1.0
128.91751	0.5
133.01405	3.7
134.83075	0.4
141.90102	0.5
142.62064	0.4
144.74332	0.4
145.12555	0.4
151.00331	5.0
163.00346	0.5
163.03983	3.1
178.99889	4.2
243.02916	0.4
245.81544	0.5
254.02298	0.6
255.02998	3.2
271.02484	6.0
272.03156	0.5
273.04160	0.7
300.02756	100.0
301.03531	35.6
343.04639	0.5
510.80396	0.4
554.49713	0.5
609.14685	84.9
822.94025	0.5
923.58380	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	889.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.2
97.02955	3.5
108.01321	0.6
117.23506	0.6
118.15009	0.5
125.02456	0.9
126.26636	0.6
177.12860	6.5
191.14427	14.2
193.15981	4.1
203.14426	7.7
205.12346	6.9
206.13152	1.1
221.15469	97.0
247.13382	0.8
257.07806	0.6
265.14450	100.0
276.13504	0.6
319.83203	0.7
327.79602	0.6
623.22723	4.8
845.14752	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	890.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	2.9
76.64902	1.5
90.56609	1.6
91.27355	1.9
98.06123	1.8
99.04508	2.1
100.94086	2.1
116.10006	2.0
121.02071	3.6
121.02951	100.0
165.09172	1.7
172.32043	1.7
180.04308	3.1
203.12973	1.7
216.10339	3.7
244.09842	2.5
262.10831	20.3
278.16074	1.8
295.13132	2.3
304.11993	12.4
313.14441	4.0
331.15445	6.8
343.15634	2.9
346.38910	1.8
373.16544	3.9
409.44186	2.0
525.20905	7.1
526.21240	3.1
595.61041	1.9
623.83160	1.6
636.28699	2.1
694.87695	2.0
853.71228	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	890.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
82.84572	0.3
85.02961	0.6
93.03419	0.3
95.05039	0.3
97.02970	1.5
97.35175	0.4
99.04521	1.6
109.02944	0.5
111.04498	1.2
112.19415	0.3
121.02949	100.0
123.04552	0.4
128.61861	0.3
139.04048	0.7
150.27209	0.3
151.07626	0.4
165.09204	2.5
173.33182	0.3
179.07162	0.3
181.08720	0.3
189.05640	0.3
191.07144	2.2
229.12373	1.3
231.10281	0.3
233.11852	0.5
243.13943	0.3
247.13403	0.6
313.14471	0.6
319.15536	24.5
343.15561	0.5
361.16608	1.3
373.16650	2.6
403.17700	1.4
525.21307	43.8
770.31445	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	891.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53042	1.8
76.02157	1.8
82.30579	2.0
83.01360	2.7
88.29137	2.3
88.78245	2.2
109.02942	4.8
111.04496	4.2
123.04488	2.4
125.02443	100.0
137.02435	14.5
139.03998	21.4
151.04018	4.1
154.23183	2.0
161.02457	2.7
163.00374	94.8
164.01173	24.1
165.01881	3.7
167.03487	8.0
174.54047	2.0
175.00372	3.0
177.01913	36.1
179.03458	17.3
204.00735	3.1
217.04839	2.2
219.03058	2.0
227.03500	10.3
243.03043	14.5
255.02963	37.7
256.03613	9.3
257.04538	15.5
271.06143	4.0
284.03195	4.9
296.03479	2.5
299.01935	2.8
299.05368	2.6
345.07797	2.4
345.41388	2.2
373.07150	3.4
375.07184	3.8
417.06128	4.3
435.07318	32.0
483.09079	26.5
516.84570	2.3
576.53729	2.4
601.09668	3.6
629.13074	15.5
645.74243	2.1
737.14227	4.5
755.16412	92.9
868.37640	2.5
891.18976	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	891.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
91.36266	0.5
115.00359	3.0
126.51038	0.6
133.01454	13.2
135.04556	1.6
139.21342	0.6
151.00363	5.1
178.99904	4.5
179.03506	3.6
192.04193	0.8
204.63556	0.7
207.06583	1.2
243.03108	0.8
255.02980	3.3
271.02356	6.3
277.42068	0.8
295.04584	2.8
300.02768	100.0
301.03549	39.3
358.43246	0.6
359.67831	0.6
522.92859	0.7
526.68774	0.7
595.13092	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08167	0.2
69.51842	0.2
80.48457	0.3
82.91045	0.2
88.64115	0.3
99.56629	0.3
125.02402	0.5
151.00377	2.0
163.03993	1.5
174.79436	0.3
178.99867	3.1
181.08661	0.4
187.41360	0.3
241.38120	0.3
270.01736	2.1
271.02466	5.2
287.02121	2.6
288.02621	0.6
316.02255	100.0
317.03027	11.0
317.06729	0.4
611.12610	64.3
692.34766	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	891.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61305	8.6
75.30630	8.3
76.25717	9.7
100.97249	9.3
109.02956	9.4
111.45834	8.0
125.02438	32.1
137.02432	18.7
139.04010	51.5
153.05658	10.7
163.00467	12.0
164.01170	44.2
165.01906	10.3
177.01988	13.1
178.02623	14.4
179.03481	36.1
199.83183	8.8
256.03784	9.3
257.04630	10.5
261.87500	9.3
271.06091	13.6
283.02454	11.0
284.03183	54.1
290.57010	8.6
297.03967	9.7
299.05576	100.0
334.60184	8.4
345.18274	8.6
557.14545	16.0
571.12390	54.6
619.14551	42.8
668.64557	9.4
758.45178	9.7
891.20612	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03464	6.1
95.05058	1.2
109.02955	19.4
110.40710	1.3
111.04519	25.3
123.00819	1.4
123.04511	1.4
124.01633	4.3
125.02423	17.1
133.02930	5.1
137.02455	2.1
138.03244	10.6
139.04019	99.5
149.02446	1.4
151.03992	15.3
155.98439	1.1
161.02470	16.3
163.00381	31.1
164.01164	49.1
165.01953	1.6
166.02716	1.2
167.03528	9.4
176.01091	1.8
177.01926	18.2
178.02722	29.7
179.03502	100.0
181.05040	1.4
191.03554	4.2
193.05087	1.8
195.06648	2.3
204.00563	1.2
219.02916	1.8
255.06638	1.3
257.04550	13.3
257.08374	2.3
267.06607	7.3
269.04501	8.0
270.05298	10.6
271.06131	1.5
283.06052	2.5
285.07666	26.6
296.03247	6.7
297.04086	6.4
299.05594	4.6
301.07108	4.5
309.04041	1.9
311.05658	2.2
319.08270	31.4
359.07666	2.3
425.12262	2.0
435.11130	2.6
437.08737	11.2
451.10645	8.4
461.87891	1.2
465.11963	4.9
526.50085	1.6
569.10852	1.7
571.16254	32.6
573.13831	6.6
587.15564	4.6
605.16675	58.2
723.17468	14.9
737.19269	1.5
747.34576	1.2
751.20740	2.4
754.35889	1.5
790.89368	1.1
859.23364	2.3
873.23730	4.6
891.07257	1.9
891.25153	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70441	0.9
89.76951	1.1
93.03459	2.0
109.02948	26.5
111.04514	31.9
111.93650	1.0
121.02935	2.2
123.00878	1.5
123.04482	2.4
124.01630	5.2
124.55267	1.0
125.02461	20.1
133.02968	5.9
134.03729	1.5
135.04494	1.4
137.02405	4.5
138.03218	11.4
139.04013	93.6
149.02492	1.6
151.03983	13.4
161.02411	6.9
163.00354	30.7
164.01163	49.9
165.01901	1.8
166.02603	2.6
167.03523	10.0
167.45235	1.2
177.01936	16.8
178.02727	30.9
179.03500	100.0
191.03517	6.1
193.05051	1.8
202.99725	1.2
204.00558	1.2
225.05576	1.8
241.04863	1.5
252.04193	1.4
253.05103	1.3
255.06657	1.4
256.03738	1.2
257.04608	13.1
257.08136	4.7
267.06555	6.2
269.04590	16.7
270.05283	12.1
271.06082	2.0
281.04492	1.5
283.02341	1.9
283.06055	1.9
285.07684	31.1
286.04642	1.3
296.03329	8.9
297.04144	11.8
299.05560	11.1
301.07062	2.5
309.04181	4.4
311.05655	4.3
315.05161	1.5
319.08234	37.9
325.03537	2.0
387.04828	1.3
403.08237	1.3
425.12314	1.8
432.07785	1.2
437.08472	8.4
451.10419	6.1
460.86554	1.1
465.11844	6.8
466.73663	1.3
553.15173	1.3
555.12897	1.5
562.14850	1.2
569.11084	1.6
571.16113	36.5
573.14081	9.7
605.16699	64.0
707.99933	1.3
723.17218	14.8
859.22345	5.1
873.24268	2.0
891.25110	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64937	3.9
63.61295	5.1
65.68307	4.7
74.21722	4.4
109.02939	21.4
113.07201	5.8
118.87657	5.3
122.03703	6.9
123.04549	40.4
124.01649	7.7
125.02431	28.7
126.81720	4.8
137.02441	11.5
139.04013	56.3
151.03979	25.0
161.02434	84.7
163.00352	28.2
164.01163	42.8
167.03471	12.0
173.84270	4.9
177.01961	10.6
178.02702	32.3
179.03514	100.0
257.04529	20.1
267.06528	7.1
269.04605	8.5
270.05316	7.7
271.06027	6.9
283.05969	5.3
285.07611	22.2
286.04965	5.7
287.05624	5.9
287.08997	6.0
296.03412	8.6
297.04132	7.2
299.05432	9.5
301.07175	11.5
303.08786	18.8
315.05338	5.7
421.09042	8.2
435.10913	7.4
441.11530	5.5
587.16119	52.8
589.17078	48.0
624.59808	5.7
770.59924	5.8
791.73688	6.6
891.23639	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37240	0.3
69.98004	0.4
76.81001	0.4
85.02955	1.5
94.17513	0.4
97.02946	0.8
97.06556	0.4
100.07699	0.5
101.06098	0.5
109.02956	0.4
110.35072	0.3
111.04535	0.6
119.05006	0.4
121.02950	100.0
122.03313	0.5
147.33771	0.4
165.09161	2.5
181.08684	0.5
189.05547	0.4
191.07133	0.8
209.46033	0.4
229.12277	0.4
233.11807	0.5
247.13318	0.7
287.12921	0.4
313.14502	0.4
319.15506	23.0
361.16983	1.2
373.16623	2.4
403.17801	0.9
415.18225	0.4
525.21326	48.7
526.21606	0.4
527.22162	0.7
551.93719	0.4
572.10278	0.5
729.33148	0.4
772.33508	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	892.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97509	1.8
80.19196	1.9
87.04521	18.2
100.07680	10.5
119.05016	8.6
121.02953	100.0
174.83617	1.9
176.07098	2.6
218.11884	3.3
246.11324	13.1
264.12320	8.3
313.14255	2.4
319.15433	18.3
373.17053	2.2
525.21106	25.6
671.24994	9.7
772.33801	25.2
907.92651	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	892.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
102.73312	1.1
116.57777	1.3
121.02950	100.0
236.09352	1.8
252.33647	1.4
331.07266	1.2
490.94464	1.4
636.17151	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	893.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40408	5.4
81.59924	6.5
85.50419	5.7
92.19396	11.9
95.87118	5.3
121.02944	100.0
122.03295	37.6
135.96034	5.5
146.53479	5.8
156.20433	6.7
156.58083	6.0
182.93861	6.4
205.69485	7.7
288.44925	7.2
320.15930	8.3
321.16025	6.6
409.41092	6.8
500.58591	7.1
525.20813	7.9
526.21680	23.2
527.21808	27.2
528.22198	25.2
698.19049	8.2
727.40033	7.4
745.01398	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	893.398
Annotation	Unknow
Peak:m/z	Relative Intensity
76.60916	1.0
97.02950	3.8
99.62195	1.0
125.02486	1.8
141.03598	0.8
161.02365	1.5
174.52940	0.8
177.12823	7.5
184.65091	0.9
191.14447	15.8
193.15993	3.9
203.14462	5.6
205.12363	4.8
221.15475	92.1
247.13417	1.3
258.84277	0.9
265.14456	100.0
289.07037	1.2
409.59262	1.0
587.59717	1.1
590.17065	1.1
637.68121	1.0
699.11615	0.9
835.34961	1.0
893.34283	5.4
898.23376	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	895.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04558	6.6
79.10529	9.4
109.02937	8.2
124.08233	9.1
125.02422	100.0
137.02423	8.3
151.04012	7.8
159.76808	9.0
161.02420	30.9
175.04086	14.3
177.01900	11.6
217.05098	12.3
227.03288	9.2
243.02975	12.3
243.77654	7.1
245.04636	11.8
257.04550	13.7
285.03964	31.9
309.04089	9.4
327.05267	8.8
545.11206	10.3
563.11884	34.5
619.64075	8.1
637.12701	9.2
681.13123	27.2
699.13599	46.0
725.14368	10.9
833.17218	30.9
851.18286	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15910	0.5
125.02464	3.5
151.00363	2.2
177.01941	0.6
201.91512	0.5
227.03455	7.6
229.05013	0.5
255.02988	22.3
256.03867	5.7
284.03271	88.3
285.04071	20.0
327.04916	1.0
447.09357	100.0
487.31961	0.6
694.51074	0.5
785.81409	0.6
910.86249	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	895.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89828	2.9
72.99311	4.2
82.95409	4.0
83.00272	3.1
83.02116	3.0
83.02509	89.5
84.00907	100.0
84.02012	15.9
84.02885	4.4
111.04552	3.2
121.02947	63.9
219.03024	2.6
220.46991	2.6
238.08743	38.3
247.13387	21.2
253.53224	3.1
265.14456	4.9
266.08112	5.5
284.09235	26.9
331.15298	3.7
361.16617	3.3
391.17697	4.8
398.03543	3.0
401.84326	3.0
421.18811	4.7
501.21811	18.6
543.22046	4.4
872.68823	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	895.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67790	8.7
63.32735	8.6
64.95676	9.4
81.11243	9.4
92.20033	11.6
94.77230	9.9
100.42502	9.5
111.73880	9.1
121.02970	100.0
122.03250	18.7
198.94672	10.0
262.56717	9.4
329.17667	12.6
525.21582	12.3
526.21283	17.2
527.22211	16.2
528.21887	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	895.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71223	12.5
69.59138	10.2
87.04499	15.7
91.99828	14.7
92.19536	15.3
106.43220	12.3
121.02967	100.0
122.03270	25.1
129.32100	11.9
224.34682	14.3
318.52371	14.1
399.89307	14.4
433.61905	13.8
455.31186	13.7
472.26544	12.4
526.20996	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	895.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21787	1.9
64.97175	1.9
71.01388	18.4
78.10576	2.2
78.34386	2.0
85.02981	4.1
85.86477	2.0
89.02439	19.1
101.02467	18.0
108.28620	2.1
113.02423	8.5
119.03487	3.8
125.02498	3.2
133.43546	2.3
143.03667	2.3
161.04494	2.9
165.17624	1.9
169.12341	56.3
171.10274	10.2
235.08192	2.4
255.23294	100.0
269.24838	3.1
379.12518	8.5
397.13486	5.1
519.69098	2.4
549.25488	2.6
567.26563	2.9
635.36664	12.3
653.37494	4.9
805.50409	15.8
849.48853	14.1
867.50018	5.1
895.49255	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	13.9
85.02908	3.3
87.00875	5.6
89.02437	27.3
101.02440	23.1
113.02443	13.0
119.03455	5.4
123.01184	2.1
125.02428	9.2
161.04504	4.0
169.12331	79.9
171.10265	20.3
194.11771	2.4
209.11942	3.1
219.09222	2.2
235.08197	8.8
237.58185	2.2
255.23318	100.0
379.12454	10.3
397.13284	9.9
549.25592	15.1
567.25958	3.2
635.36194	4.1
805.49341	14.4
849.48468	13.6
867.49518	5.1
895.49194	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31810	0.3
63.37793	0.3
70.65710	0.3
73.93236	0.2
78.95905	1.7
89.80289	0.3
96.01037	0.3
110.98521	1.8
135.55879	0.4
160.34334	0.3
167.01146	1.7
185.02173	3.1
279.23309	100.0
447.25217	48.3
489.01886	0.4
648.92847	0.3
759.57355	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	896.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
93.00864	72.4
125.02367	100.0
152.58633	71.0
153.66794	78.8
157.15720	73.9
159.93001	74.2
164.53749	83.6
177.01878	70.9
221.63603	70.0
441.19443	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
75.52793	0.6
103.04024	7.9
121.02953	100.0
125.02477	0.9
141.97966	0.7
142.06819	0.7
155.81041	0.8
165.09218	2.8
179.07033	0.7
217.73320	0.7
319.15512	25.1
325.91205	0.8
361.16693	1.4
373.16708	3.3
403.17880	0.8
525.21344	48.5
543.23956	0.8
565.10278	0.9
792.30060	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	896.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42436	1.8
77.40820	2.1
78.18660	1.8
92.20100	3.5
103.04053	6.9
121.02947	100.0
137.02406	3.4
137.39633	2.0
148.42375	2.0
165.02078	2.2
257.99203	2.2
319.15463	27.5
373.16528	2.9
466.24139	2.4
525.21167	46.8
762.19366	2.5
896.22955	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	896.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
117.07993	16.3
121.02879	17.2
122.48144	14.6
129.26280	14.6
193.89955	13.3
197.94055	12.3
243.75323	15.2
461.06360	15.9
781.46393	18.2
896.35748	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	897.1893
Annotation	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
63.94032	3.7
66.99196	4.0
123.04482	5.3
125.02438	100.0
137.02461	17.7
151.03984	8.7
161.02464	6.1
165.01880	16.4
167.03517	8.8
171.41023	4.6
175.03990	24.2
177.01932	86.6
179.03479	7.4
217.04956	8.4
219.02884	9.7
243.02991	41.6
245.08151	8.4
255.02791	5.5
261.04089	15.7
273.03995	4.9
289.07303	20.3
297.04041	9.9
303.05115	9.4
313.03537	5.9
315.05170	7.7
337.03601	7.6
343.04507	9.2
355.04623	4.8
407.07724	19.4
423.07141	7.7
425.08908	16.1
439.06863	22.2
463.06540	5.7
481.07553	7.3
593.13062	5.5
609.12726	4.9
711.13751	24.7
729.14734	25.4
744.34491	5.0
897.18707	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51814	0.9
72.99594	1.1
73.69348	1.1
96.77585	0.8
98.41498	0.8
125.02422	1.3
151.00287	1.5
227.03497	3.8
229.05034	4.8
241.09697	1.1
255.03055	8.3
256.03714	1.8
257.04489	5.9
284.03278	82.5
285.04053	100.0
301.03268	1.3
331.00385	1.0
508.68726	1.0
593.15192	97.8
605.71027	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	897.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
76.25077	1.4
76.60504	1.3
114.90437	1.8
120.48219	1.6
123.04508	1.5
125.02440	41.9
137.02423	2.1
148.01654	8.7
149.02426	3.3
151.00374	6.0
160.01675	7.3
161.02451	10.9
163.04041	2.1
165.01871	2.1
177.01949	7.0
179.03589	1.8
190.02786	1.5
191.03448	5.9
199.04066	1.5
217.04985	1.7
227.03397	1.6
227.06575	1.5
243.02980	100.0
245.04462	5.8
255.02957	6.9
269.00903	12.1
269.04114	2.3
271.02316	2.6
283.02466	20.0
285.04166	1.7
299.01895	2.7
300.02762	46.1
301.03574	28.1
312.02637	1.9
392.05536	7.9
393.06497	2.7
407.07394	1.8
419.04083	2.5
436.04984	1.7
444.04623	2.1
462.05887	1.9
576.21332	1.7
609.14630	31.8
745.16394	81.2
897.21100	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33700	0.7
67.28031	0.8
69.03461	3.5
70.45963	0.8
71.01381	15.5
71.05029	1.0
73.02930	1.4
74.36366	0.7
81.03481	1.0
83.01378	1.2
83.88751	0.8
85.02939	1.7
87.00869	3.8
89.02436	24.9
92.20158	1.9
95.01379	1.0
97.02937	1.9
101.02453	18.4
101.23092	0.7
103.55459	0.8
113.02462	10.1
119.03466	6.5
125.02427	6.4
125.09772	1.0
143.03455	2.0
146.86407	1.0
161.04506	3.8
167.10754	5.4
177.12914	1.0
179.05638	1.9
179.10811	1.4
179.14374	7.0
195.13911	30.4
196.14693	1.3
205.12340	14.4
207.25368	0.9
221.06750	1.4
223.13400	83.4
225.14990	1.3
226.01643	0.9
235.08234	4.7
275.20285	10.2
293.21240	100.0
323.09683	1.2
379.12332	3.4
397.13535	30.7
415.14651	11.6
499.33987	1.6
603.26721	19.3
621.27795	26.7
673.34772	9.3
691.35822	9.6
748.47552	1.0
897.48779	62.0
899.31250	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	898.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
73.82449	1.7
98.02467	11.1
109.02962	2.2
121.02951	100.0
153.70815	1.9
165.09213	2.4
168.39761	2.5
188.07312	3.4
211.29083	2.0
216.06714	3.7
294.09845	3.0
319.15576	32.1
373.16974	6.3
525.21362	55.3
630.37231	2.0
636.03491	2.0
767.79248	2.3
790.04425	2.1
898.30804	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86024	1.9
68.32520	1.4
73.70924	1.6
96.43958	2.0
109.02924	9.1
116.58255	1.7
123.04543	2.7
125.02447	77.8
137.02429	20.3
149.02460	4.1
151.04012	14.2
161.06053	3.8
165.01851	2.3
175.03995	12.1
177.01933	86.8
178.02452	2.4
179.03543	3.3
187.03955	2.6
203.07193	2.9
205.05121	8.7
215.03387	2.3
243.02884	8.1
245.08191	25.9
255.02989	10.2
256.03778	4.0
257.04553	2.4
261.03983	3.1
269.04449	2.1
273.04150	4.3
281.04553	8.0
283.02539	3.3
285.03976	9.4
289.07178	33.2
303.05035	7.8
314.91754	1.8
339.08633	11.3
407.07721	67.2
425.08844	91.9
467.09802	2.5
593.13049	100.0
713.14514	2.3
731.16565	2.0
899.19849	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	899.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70051	1.9
70.54632	1.7
71.68412	1.6
78.42047	1.7
85.29322	1.8
100.20650	1.8
109.02940	10.7
123.04529	3.5
125.02444	75.8
137.02431	12.2
139.04008	2.3
149.02412	3.7
151.04002	12.4
161.02432	3.4
163.04039	3.2
165.01955	2.2
167.03458	2.7
175.04015	9.7
177.01938	79.1
179.03534	6.8
187.04007	6.9
193.04887	1.9
203.03505	1.9
203.07100	2.8
205.05145	4.4
229.05092	4.4
243.02931	3.4
245.08191	22.2
255.03073	6.9
256.03665	2.5
273.04010	3.9
281.04568	8.0
281.48483	1.9
283.02475	4.5
285.04099	4.5
289.07193	37.9
297.04095	2.6
339.08679	10.2
407.07736	60.1
407.13092	2.7
425.08865	85.6
467.09811	3.0
495.28934	2.3
577.13397	3.6
593.13123	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	899.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46216	0.3
82.23727	0.3
87.49381	0.3
90.39247	0.3
107.17163	0.3
114.20982	0.3
120.56847	0.3
138.14828	0.3
142.31383	0.3
149.70731	0.3
151.00363	3.7
173.13870	0.3
178.99873	4.3
218.91513	0.4
255.02998	3.9
271.02515	5.5
272.03287	1.4
273.03952	0.5
283.02551	0.6
300.02756	100.0
301.03531	35.0
343.04727	0.5
609.14667	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
84.93291	0.5
108.01736	0.5
109.02935	0.6
116.07121	0.6
125.02442	2.4
137.02435	5.1
139.04031	2.9
153.02020	0.6
164.01228	0.6
165.01929	10.2
179.03474	0.7
191.14433	32.5
193.16006	9.7
203.79408	0.5
205.05875	0.5
219.13885	6.1
237.14970	100.0
259.94382	0.5
263.89169	0.6
269.04739	0.6
271.06265	1.0
273.07736	0.8
281.13956	87.3
312.02985	0.9
313.07159	0.6
329.06537	3.8
331.04587	5.1
352.81317	0.5
419.07907	0.7
454.25775	0.6
617.13080	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11524	0.3
69.54728	0.2
81.76517	0.2
93.76419	0.2
96.27140	0.2
121.02951	14.0
127.11257	0.4
152.90538	0.3
185.57018	0.2
188.99483	0.3
200.88306	0.2
239.20171	0.9
267.19659	3.6
283.19138	0.9
285.20721	100.0
330.98163	0.3
374.67279	0.2
461.08536	0.3
463.54181	0.2
535.54175	0.2
625.16296	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	900.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15826	0.5
87.00857	4.5
88.00407	2.7
88.98803	100.0
89.02441	7.9
111.04530	0.9
121.02956	6.8
139.17911	0.4
165.08986	0.5
192.65698	0.6
210.09283	1.0
238.08711	4.4
247.13391	2.8
265.14490	0.7
266.08368	0.7
425.10388	0.5
501.21381	1.8
645.46606	0.6
844.81726	0.6
844.98468	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	901.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43856	2.3
65.66224	2.7
83.54078	2.8
85.98026	2.5
101.23689	2.8
125.02439	100.0
137.02448	5.1
151.04027	10.3
161.02423	33.1
177.01956	3.0
189.68405	2.7
203.07170	4.4
205.04980	3.9
206.52531	2.9
245.08226	12.3
255.02916	12.1
287.05609	17.5
289.07242	39.2
407.08130	3.1
451.12531	13.4
514.99896	3.4
613.16974	6.1
739.18921	17.1
740.39502	3.4
901.24042	16.6
925.81250	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	902.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06322	0.5
72.99308	21.4
87.77222	0.4
118.06640	0.5
119.05008	2.4
132.04599	0.5
134.06090	2.3
144.04535	2.6
148.07672	4.0
162.05571	2.3
176.07175	19.0
180.06673	10.3
204.06679	7.8
221.28331	0.5
222.07716	100.0
281.20721	0.5
472.28476	0.5
652.39117	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	902.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85396	2.9
89.06669	2.8
118.69477	3.3
121.02945	100.0
128.70985	3.2
162.82832	2.9
175.35670	3.1
180.06651	4.9
190.19542	3.3
212.52739	3.1
238.95590	3.5
245.03734	3.3
255.31351	3.2
261.33154	3.5
293.52759	3.4
298.10699	4.5
319.15518	29.6
510.34387	3.5
525.21375	62.3
902.31335	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
92.59836	78.9
121.70914	75.6
183.84868	82.4
293.99933	94.7
325.88797	81.1
367.58136	73.9
429.56552	85.8
439.70795	98.2
568.53052	100.0
583.46527	80.2
763.34772	97.1
931.43622	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00979	1.8
71.01379	1.8
75.09196	2.1
78.40234	2.1
79.79259	2.1
81.72261	1.8
109.02970	3.3
115.00383	4.0
123.04462	4.1
125.02444	75.8
133.01451	27.1
137.02434	14.0
139.03893	2.4
145.84822	2.2
150.03265	17.1
151.04002	5.1
158.86102	2.1
161.02437	17.7
162.31738	2.0
165.01888	3.6
175.04041	4.5
179.03587	3.2
187.03946	3.1
194.02231	10.5
203.07159	4.9
205.05063	4.5
209.04564	33.3
229.05148	2.5
243.02882	2.6
245.08173	21.9
255.02951	3.3
273.04044	3.7
281.04471	2.7
287.05640	3.9
289.07187	43.4
297.04120	2.3
325.05707	4.5
334.28873	2.1
339.08798	8.7
407.07782	36.0
425.08865	35.0
451.10660	3.6
577.13593	100.0
745.68921	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	903.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	3.4
65.78382	2.3
79.60947	2.3
96.22668	2.4
104.26334	2.7
109.02967	9.4
116.98709	2.3
124.32567	2.6
125.02431	12.8
127.57234	2.3
137.02467	38.1
139.03999	12.9
149.56828	2.5
150.63724	2.7
151.00357	3.8
151.04054	3.3
153.01962	2.5
161.02522	2.6
163.00345	11.2
164.01146	15.4
165.01921	78.3
178.02722	12.3
179.03491	23.1
183.03058	2.7
186.23563	2.5
190.99823	10.8
193.01399	12.5
211.70885	2.7
257.04807	4.3
269.00757	2.7
269.04529	3.5
271.06113	4.0
273.07486	2.7
281.04388	3.4
283.02527	19.9
285.04059	12.6
285.07428	3.9
296.03217	3.1
297.04013	2.4
312.02725	19.1
313.03708	3.0
313.06900	3.0
316.02136	14.6
317.02994	3.1
317.06836	3.0
317.21283	13.0
329.06674	10.5
331.04559	40.7
331.08282	4.3
419.07791	5.3
435.03564	12.0
445.84747	2.5
447.07181	3.3
451.17487	5.0
585.10339	5.9
617.13190	41.0
705.15454	3.9
735.13300	8.8
871.19147	3.7
903.21295	100.0
916.11755	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	903.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
84.30859	1.3
92.19521	2.7
102.61550	1.3
109.02953	11.0
111.04482	5.8
121.02929	1.8
123.04489	8.3
125.02414	7.5
134.03691	1.5
137.02437	2.3
138.03206	1.5
139.04027	23.0
149.37144	1.3
151.03984	5.8
153.35211	1.3
161.02379	2.3
163.00363	8.4
164.01181	9.5
165.01891	2.6
177.01945	22.8
178.02682	7.1
178.22095	1.6
179.02097	1.9
179.03529	25.8
180.20404	1.3
191.03551	1.5
193.05054	1.7
207.02882	1.6
254.02190	2.1
255.03018	2.2
257.04544	7.3
269.04630	10.6
270.05286	1.9
271.06122	1.8
282.01752	14.2
283.02484	20.4
284.03192	2.1
285.07669	2.1
295.02557	1.6
296.03201	9.2
297.04056	31.1
298.04858	28.2
299.05573	16.3
303.08701	2.6
315.05112	2.6
324.02582	1.9
337.03363	2.2
337.07144	2.6
339.05118	1.8
363.05182	1.7
386.04138	6.6
387.04764	1.4
388.06100	2.6
401.06879	2.2
415.04495	1.4
416.05362	6.5
417.05933	5.7
419.07358	1.5
477.08115	5.2
481.11389	2.6
617.13306	30.8
626.93262	1.5
735.13763	1.6
767.19879	27.8
903.21423	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	903.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
82.40065	1.5
101.75944	1.6
106.10754	1.8
109.02921	7.2
109.36402	1.8
114.86040	1.6
122.29642	1.9
124.01690	2.2
125.02483	3.0
137.02484	8.6
139.04001	10.1
149.02419	2.4
151.04044	3.8
152.60074	1.7
161.02440	2.8
163.00334	12.3
163.71992	1.8
164.01126	10.3
165.01990	2.5
175.00430	3.2
177.01955	19.0
178.02727	3.4
179.03522	13.4
195.41168	1.7
211.04054	2.6
227.03459	3.3
239.03381	2.1
240.04247	1.9
241.04948	2.9
243.03116	2.0
251.03554	12.8
253.81973	1.7
255.02951	24.2
256.03815	3.9
257.04617	19.3
259.06152	13.6
268.03702	2.2
269.04593	21.3
270.05231	3.6
271.06082	3.2
273.07901	1.8
279.03018	62.4
280.03802	6.8
281.04541	4.1
282.01810	12.4
283.02524	11.2
284.03412	12.2
293.04669	2.5
295.02573	15.5
295.05475	2.1
296.03214	7.9
297.04083	56.9
298.04813	15.2
299.05661	18.5
307.02588	2.5
313.85773	2.1
327.04996	3.2
388.06155	2.2
389.06641	3.1
401.06888	2.6
416.05588	2.0
417.06415	7.7
419.07904	13.2
447.07162	1.9
459.07303	3.0
477.08316	2.8
583.12842	3.3
585.14081	3.0
599.11908	3.2
617.13232	25.9
651.00067	1.9
705.16193	15.0
735.13629	3.8
751.17285	3.6
843.40417	1.9
865.42096	1.9
885.20441	14.5
903.21558	100.0
903.39410	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	903.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
72.46053	0.7
80.30436	0.6
109.02944	5.6
111.04503	5.7
121.02923	0.8
122.86546	0.7
124.01604	1.1
125.02421	3.6
131.40979	0.8
133.37753	0.7
135.04549	1.1
137.02444	3.5
138.03203	1.5
139.04019	17.4
145.67729	0.8
151.03964	1.5
153.05580	0.9
161.02432	1.7
163.00250	1.5
164.01128	4.4
165.01891	1.3
166.02681	0.9
167.03445	1.4
177.01955	18.2
178.02693	1.7
179.03520	9.1
219.03018	0.8
254.02196	1.8
255.02982	1.6
257.04510	4.8
269.04590	8.5
270.05331	1.7
271.06085	1.6
273.07510	1.3
280.03851	0.8
282.01697	11.4
283.02490	17.1
284.03223	5.1
296.03235	1.5
297.04053	26.1
298.04843	30.8
299.05667	15.3
309.04022	1.6
311.05591	1.2
322.01407	1.1
322.05008	1.6
324.02969	1.2
331.05893	1.0
337.03513	1.5
337.07178	4.5
339.04971	1.5
351.05035	1.2
360.06778	1.1
362.04163	0.9
363.05048	1.5
373.07193	1.2
386.04340	4.6
387.04776	0.8
388.05753	1.6
389.06625	1.3
390.07071	0.9
401.06540	1.4
402.03488	0.9
415.04733	1.3
416.05286	1.7
417.06097	8.2
428.05997	0.7
431.07364	0.7
449.08957	1.1
477.08469	5.4
583.12415	1.0
584.12756	0.9
617.13055	23.8
733.24384	1.0
735.14716	1.5
885.20581	1.5
903.21570	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	903.221
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53619	0.3
71.01382	9.7
90.29539	0.3
115.00367	6.7
117.03439	2.0
133.01421	13.2
134.03738	31.3
146.76378	0.4
147.32608	0.4
149.06038	9.3
151.00348	0.7
156.29546	0.4
161.39146	0.4
178.02711	4.2
189.92865	0.4
193.05061	100.0
227.03630	0.7
229.04901	0.5
255.03001	4.1
256.03693	0.9
265.40176	0.4
284.03271	29.7
285.04059	38.8
309.06186	18.4
309.09863	0.5
399.42386	0.4
406.61154	0.5
593.15186	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	903.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52023	2.2
77.00575	1.9
83.01383	42.4
101.43120	1.7
109.02932	3.9
118.48394	2.0
121.02952	100.0
122.03749	7.6
123.04509	14.2
137.06075	16.5
139.04042	7.8
147.04495	2.3
151.03973	4.7
156.04242	2.0
163.00377	8.7
164.01167	3.8
178.02747	2.6
179.03503	23.7
221.08162	2.9
285.07968	2.2
296.03314	4.6
297.04044	10.0
299.05814	2.3
303.08804	4.3
305.14035	3.5
339.14871	2.7
342.11047	3.3
345.45160	2.4
357.13458	97.5
365.16235	2.7
545.23816	16.2
767.19910	35.8
837.99976	2.0
871.01031	2.2
920.82330	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	903.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
79.69327	5.5
87.33635	5.0
115.07669	19.7
116.92697	5.0
121.02950	100.0
128.10771	9.4
137.09322	5.3
145.22495	4.7
274.14661	9.5
292.15439	6.2
302.04367	5.3
319.15503	10.7
396.00882	4.6
525.21240	28.2
800.36261	26.4
915.32996	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	904.378
Annotation	Unknow
Peak:m/z	Relative Intensity
76.44466	1.0
109.25665	1.0
117.36358	1.0
121.02951	100.0
121.28578	1.0
162.96262	1.0
165.09138	1.1
319.15509	25.1
336.98376	1.1
381.12988	1.0
403.17731	1.9
451.20364	1.1
525.21350	45.1
784.33636	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	904.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18199	1.0
72.99290	2.2
77.05442	1.3
77.45370	1.1
91.05521	1.3
99.04525	15.4
99.18575	1.2
112.07663	10.3
119.05009	8.2
121.02951	100.0
138.25520	1.4
140.70822	1.1
165.09212	2.2
166.56137	1.3
229.12262	1.3
258.11377	4.8
276.12466	8.0
319.15573	15.9
373.16385	2.1
403.17691	1.5
498.53781	1.3
525.21423	24.1
671.24805	5.9
754.32562	4.6
784.33655	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	905.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	0.6
76.50603	0.3
91.21120	0.4
95.44151	0.4
107.37827	0.5
115.00332	0.7
126.32048	0.4
134.03732	3.4
135.79523	0.4
149.06056	1.8
151.00330	3.7
154.01244	0.4
158.10428	0.4
178.02734	0.5
178.99861	4.5
193.05074	12.0
255.03027	3.5
271.02493	5.9
272.03162	0.9
273.03918	0.7
283.02496	0.5
300.02759	99.0
301.03537	38.3
309.06281	0.9
320.03979	0.5
343.12631	0.4
577.12183	0.5
595.13092	100.0
893.51678	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	905.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05436	0.2
68.66649	0.2
77.85953	0.2
86.33736	0.2
94.97594	0.2
108.55717	0.2
110.78388	0.2
133.01454	0.8
151.00360	2.2
154.00089	0.2
160.39563	0.2
164.01062	0.2
178.99860	4.1
242.02194	0.4
270.01678	1.7
271.02481	5.0
274.28250	0.2
279.05066	0.2
281.02820	0.2
287.01913	2.1
288.02765	0.4
299.01904	0.2
300.02707	0.3
316.02258	100.0
317.03012	11.2
324.40604	0.2
329.03116	0.2
625.14203	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09494	0.2
66.08470	0.2
70.64743	0.2
71.01382	5.5
71.12691	0.2
93.75453	0.2
105.01953	0.2
115.00353	3.5
123.00226	0.2
125.02425	1.8
134.03726	9.6
137.02409	0.4
140.59781	0.2
145.40796	0.2
149.06071	18.3
161.02438	1.1
163.00395	0.3
165.01938	1.5
177.01881	1.8
178.02718	8.1
190.61887	0.2
193.05063	100.0
205.01398	0.2
289.07117	0.4
304.83316	0.2
307.89502	0.3
327.04987	1.9
332.26202	0.2
355.10345	14.7
415.06793	0.3
433.07779	1.2
453.10464	7.7
471.11447	21.7
593.12897	0.9
753.33197	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	905.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21786	1.2
65.40456	1.3
92.20011	3.2
93.03446	2.2
109.02936	7.5
111.04513	7.4
121.02930	8.6
123.04521	1.6
124.01638	3.2
125.02418	12.1
135.04443	1.9
137.02420	7.3
138.03259	3.1
139.04021	38.7
151.03963	2.0
161.02399	7.4
163.00337	11.7
164.01137	9.6
165.01917	10.0
167.03520	2.8
177.01944	19.7
178.02664	3.6
179.03494	25.7
229.05087	1.7
231.06593	1.8
240.04323	3.4
256.03775	3.2
257.04584	15.3
259.06134	2.0
268.03607	1.8
269.00781	2.1
269.04596	3.2
270.05362	2.0
271.06100	6.1
278.41037	1.7
283.02551	3.0
284.03253	39.4
289.07239	2.4
296.03284	8.8
297.04013	6.4
299.05627	100.0
315.05185	7.4
319.08167	2.5
331.04477	6.6
370.39877	1.7
387.04971	2.2
417.06165	8.0
417.90491	1.6
432.08301	1.9
479.09824	12.8
497.10764	3.4
552.11127	4.9
553.11066	2.0
585.14087	81.5
587.12323	2.5
603.11707	2.8
619.14673	10.8
673.77167	2.1
782.18140	3.4
783.19470	9.1
905.21759	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.3
77.51859	0.2
88.31303	0.3
92.19379	0.5
99.91959	0.4
99.92581	4.2
100.86682	0.2
114.93429	0.8
116.92862	100.0
116.97253	0.9
117.01959	0.5
131.98880	0.2
252.48233	0.3
593.37775	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	906.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99318	25.6
75.00845	4.3
82.34791	3.3
120.04532	3.1
121.02964	100.0
139.03941	5.0
165.09233	15.8
179.10780	5.1
187.99564	3.1
189.34668	3.0
196.10332	3.6
210.68829	2.7
219.14049	3.3
233.15543	2.8
238.08661	16.6
243.17163	3.7
244.30164	3.9
245.63515	3.0
266.08255	11.1
269.68356	3.3
284.09299	47.0
313.14395	6.2
326.10416	15.7
361.16879	6.1
379.17621	4.5
421.18771	86.9
432.72391	3.2
439.19577	7.0
570.72949	3.2
688.27881	14.9
722.86163	3.4
748.29071	4.1
802.21820	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	906.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78149	3.4
72.99312	4.3
79.85668	3.0
84.41731	3.3
104.31070	3.3
114.09243	4.3
115.07607	5.6
121.02946	100.0
198.72693	4.0
209.88091	3.9
215.53697	3.4
216.63776	3.2
278.13962	16.0
320.15063	17.4
324.49365	3.2
331.15430	4.3
343.15543	4.7
437.78555	3.8
525.21094	3.7
569.99316	3.5
721.73358	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	906.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79336	0.4
64.68343	0.4
65.07806	0.4
65.46128	0.4
66.10056	0.5
66.73143	0.4
72.48544	0.4
84.45696	0.4
85.02974	0.5
95.05038	0.4
97.02964	0.5
109.02991	0.6
111.04526	0.7
121.02957	100.0
136.25352	0.4
139.04048	0.4
142.97974	0.4
163.04178	0.4
163.11409	0.5
165.09210	2.3
181.08664	0.4
189.05678	0.5
191.07135	1.7
225.41608	0.5
232.13612	0.6
233.11867	0.7
291.82635	0.6
319.15546	24.0
327.16058	0.6
343.15317	0.6
361.16656	1.9
373.16544	2.9
403.17508	1.1
464.82834	0.5
525.21344	51.4
786.35101	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	906.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	1.9
74.57258	1.6
91.05526	1.8
101.06061	19.4
114.09238	12.2
119.04979	3.3
121.02953	100.0
124.73828	1.7
140.84772	1.6
165.09210	1.8
176.07227	1.9
194.29979	2.0
229.12395	2.2
232.13463	3.2
252.99361	1.8
253.76978	1.9
259.07584	1.8
260.12894	15.6
278.13962	9.9
319.15567	20.7
331.97946	2.3
361.16696	2.4
383.20660	2.0
394.17062	2.2
525.21594	20.6
671.25104	9.6
786.35297	24.8
915.83105	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	907.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90047	2.4
71.10143	2.4
74.28819	2.3
91.23039	2.5
109.02957	5.3
125.02441	71.6
137.02475	13.3
151.03955	4.8
161.02431	19.5
175.03928	5.1
179.03500	3.8
186.69151	3.4
203.07094	10.3
245.08261	21.0
255.03035	6.1
273.04221	3.3
281.04694	5.0
285.03979	3.6
287.05554	4.7
289.04074	3.6
289.07184	43.8
292.36264	2.8
297.04114	2.6
308.48373	2.5
339.08707	4.2
389.26758	3.1
391.04886	3.2
407.07681	41.5
425.08789	34.3
449.34888	2.8
451.10684	4.0
564.15845	3.3
577.13635	100.0
898.29376	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	907.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17097	2.8
93.03526	3.0
97.66283	2.6
109.02945	21.4
111.04529	19.1
123.04500	3.2
124.01637	11.7
125.02441	16.8
133.02954	5.1
137.02480	5.5
138.03210	16.4
139.03011	5.4
139.04021	100.0
149.02425	3.4
151.04019	13.4
161.02451	74.5
163.00325	21.4
164.01157	30.0
165.01889	4.7
167.03464	11.4
177.01915	15.9
178.02686	18.9
179.03499	80.7
193.05028	4.3
199.57150	2.9
255.02768	3.8
257.04559	15.2
269.04529	10.4
270.05319	3.7
271.06088	3.5
283.02444	4.9
283.05908	4.4
285.07593	15.0
287.09219	5.8
289.07239	2.9
296.03210	13.8
297.03961	5.6
299.05515	12.6
301.07068	4.0
318.57965	2.9
319.08167	12.8
437.08746	5.4
451.10022	10.8
465.12094	11.8
573.13934	3.2
587.15686	40.5
605.16681	46.6
737.18976	5.0
739.16791	5.6
771.19269	4.3
907.24341	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
72.12822	1.8
73.26202	1.7
74.56437	2.1
89.27484	2.1
90.38586	2.4
92.19360	3.9
103.47678	2.1
109.02951	22.2
111.04494	15.2
123.04501	10.1
124.01656	8.7
125.02415	19.0
133.02943	8.3
137.02432	4.9
138.03233	4.3
139.04022	86.7
144.00841	2.1
149.02394	2.5
151.03999	14.7
161.02448	100.0
163.00372	17.0
164.01151	26.2
167.03506	8.7
177.01938	97.7
177.03505	2.7
178.02689	12.0
179.03502	55.4
188.93169	2.7
189.02132	2.0
194.37752	2.2
219.02963	3.3
238.58168	2.0
245.08279	2.9
257.04565	50.2
269.04507	9.4
270.05331	3.8
271.05978	4.2
283.02740	3.9
283.06171	13.0
285.07718	3.9
286.04913	2.6
296.03146	3.8
297.04053	7.6
299.05545	13.1
301.07300	20.4
311.05267	2.2
317.06458	3.8
319.08136	8.4
362.18710	2.6
393.09976	3.7
408.96326	2.5
421.09634	4.0
425.12601	4.4
435.11121	3.0
451.10495	4.9
481.11328	9.1
555.12421	2.7
587.15356	18.2
603.14929	5.0
621.16254	60.3
705.80975	2.5
723.17145	4.5
767.19672	3.8
776.83636	2.8
875.22070	4.0
907.24097	64.2
921.68433	2.8
924.54510	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	907.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
74.06818	3.4
75.29475	3.8
77.49407	3.6
78.94502	3.6
109.02953	19.2
111.04520	16.2
123.04491	3.9
124.01627	3.7
125.02435	17.6
137.02408	5.2
139.04028	78.6
151.03966	15.1
161.02454	100.0
163.00359	7.5
164.01140	24.7
167.03500	5.4
173.25803	4.2
177.01921	17.3
178.02701	7.6
179.03508	52.2
257.04562	40.3
269.04547	8.6
271.05838	4.8
283.06226	8.8
284.03271	3.8
285.03888	5.7
296.03226	5.4
297.03897	8.7
298.04306	3.9
299.05511	23.5
300.05960	5.0
301.07053	25.7
347.18689	9.0
425.12762	4.5
451.10242	6.4
481.11209	6.5
487.86801	4.2
586.14215	4.7
587.15375	18.0
621.16571	30.4
624.52173	4.0
907.23077	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	7.5
72.96758	6.4
80.88448	7.3
86.44186	6.9
89.02441	11.6
92.19379	15.2
101.02452	30.0
113.02435	7.5
115.52536	6.7
154.43080	9.4
183.14041	10.4
211.13431	100.0
255.23311	85.4
256.72284	7.5
351.17316	8.0
379.12485	11.0
397.13425	12.7
591.26825	35.1
609.27026	7.9
635.36584	13.1
653.37946	27.3
720.39648	9.3
847.50372	44.7
882.45282	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	909.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
78.71848	1.4
102.66770	1.6
151.00310	1.6
175.65622	1.6
242.90338	1.5
279.43109	1.7
328.13153	49.1
343.15506	100.0
374.04391	2.6
388.05624	6.1
389.06558	8.3
403.08069	6.0
415.04477	3.2
518.06445	2.9
533.08704	46.2
565.11450	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74258	16.8
72.99318	18.2
83.67359	15.9
138.74023	19.2
152.87152	22.1
164.78864	17.6
262.10843	100.0
263.03525	18.1
401.49365	18.5
788.49445	24.9
909.33112	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
75.08386	0.9
83.01398	4.8
97.91597	1.0
121.02963	2.4
122.03745	2.7
123.04526	2.1
124.41541	1.3
140.08025	1.2
150.03212	15.9
151.03961	2.0
151.51302	1.3
160.05243	1.5
161.06104	1.4
165.05560	14.9
166.05319	1.5
174.57378	1.2
180.04285	2.0
193.05078	1.9
204.04288	1.9
205.05077	2.2
239.57643	1.3
258.08948	3.9
270.09024	6.1
272.10574	2.2
282.09122	1.3
284.10535	2.5
286.08411	1.5
328.09552	1.2
460.15149	1.3
477.15524	1.4
477.70395	1.2
488.14615	1.4
489.15375	2.0
491.17044	1.9
502.16345	1.5
503.16910	4.4
505.18851	2.2
517.18683	8.0
521.17877	1.9
533.18506	2.5
572.91791	1.2
681.70526	1.2
861.32251	2.5
891.32452	2.4
909.33539	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	909.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26714	2.8
87.10540	3.0
105.97913	3.2
121.02947	100.0
122.03281	35.1
123.03423	5.6
191.07422	3.2
266.65677	3.0
319.15533	7.2
320.15829	12.7
321.16183	6.9
373.41989	3.2
415.90240	3.5
470.83957	3.5
471.74881	3.0
525.21686	7.0
526.21747	14.2
527.22241	29.9
528.22253	17.2
716.88660	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	910.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33678	0.4
66.53789	0.4
71.01387	5.8
72.99331	0.4
85.02918	0.7
86.27322	0.4
89.02431	5.0
91.05569	0.6
95.01427	0.4
101.02431	5.7
113.02442	3.6
119.03515	2.0
119.05016	31.2
120.04551	9.0
121.02946	29.7
134.65106	0.4
134.66202	0.4
148.01845	0.5
151.00302	0.7
163.03990	0.8
178.99860	1.8
199.40099	0.4
210.09155	0.9
216.89798	0.4
222.09250	8.8
237.06277	0.5
238.08679	0.5
255.02887	0.8
266.08267	6.8
271.02408	2.2
284.09369	3.6
299.01889	0.6
300.02765	35.5
301.03546	12.8
338.96799	0.5
446.14587	100.0
463.02286	1.0
463.08853	28.0
638.65625	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	913.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.4
97.02956	4.0
114.97237	0.4
121.02985	2.4
121.15679	0.4
123.08044	0.4
177.12851	8.3
191.14438	12.3
193.15945	3.6
203.14400	6.5
205.12354	6.4
206.13206	0.6
221.15475	100.0
247.13295	0.8
265.14453	87.2
320.33493	0.4
489.98248	0.5
554.03961	0.5
785.97797	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	914.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90537	0.2
71.01382	5.9
115.00362	4.5
121.02905	0.2
125.02432	0.9
130.08060	0.2
134.03734	10.3
134.04716	0.4
137.02434	0.4
149.06078	18.1
177.01926	1.3
178.02705	9.2
193.05064	100.0
194.05396	1.9
243.02898	1.6
244.03215	0.4
286.21045	0.3
289.06943	0.2
300.02750	1.2
301.03131	0.8
311.09796	0.3
355.10355	16.0
356.10416	0.3
450.95218	0.2
453.10458	8.6
471.11462	22.3
472.11865	1.2
745.14819	0.2
746.16644	1.1
914.20959	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	914.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97260	51.8
75.55733	47.5
78.11941	45.4
80.92642	56.7
153.30745	59.3
187.03931	63.5
218.08279	100.0
218.12631	65.4
236.09334	85.4
713.60217	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
77.11543	2.3
91.32278	1.9
96.57010	1.9
97.94238	2.0
99.78873	2.5
116.19519	2.3
116.60553	2.3
116.76115	2.4
125.02439	84.1
126.02790	2.3
137.02473	16.5
139.04042	12.3
151.03979	3.4
165.01912	10.6
167.03506	10.9
175.04095	3.6
177.01949	63.4
179.03503	14.4
186.00938	2.0
214.50293	1.9
214.78575	2.2
217.05177	2.1
219.06604	5.0
221.04573	8.7
229.05067	2.6
243.03001	9.0
255.02948	10.9
256.03668	3.7
261.04047	2.8
273.03989	3.7
283.02451	18.3
285.03973	8.9
297.04037	12.4
303.05078	3.8
305.06799	24.8
321.07211	10.0
362.36566	2.2
423.07281	42.0
441.08340	35.4
568.27576	2.8
593.12872	4.6
609.12604	100.0
776.37549	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	915.315
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13271	0.3
89.02444	0.3
92.20134	0.6
118.55424	0.3
121.02953	0.4
125.02454	0.3
151.00348	3.7
151.12704	0.3
154.26111	0.3
178.99883	3.2
210.07384	0.3
243.02934	0.5
255.03049	3.2
271.02512	5.2
273.03891	0.7
283.02521	0.4
300.02762	100.0
301.03540	39.3
301.07083	0.6
451.22061	2.3
463.08875	87.9
786.61432	0.4
886.86627	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	915.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53396	5.7
73.20787	7.5
86.03508	7.5
121.02949	100.0
122.03276	40.6
142.68544	6.8
200.00070	6.3
344.51114	7.9
526.21692	7.9
527.21759	12.9
528.21973	13.2
546.94800	7.6
617.05908	8.5
741.45087	7.5
940.29419	8.1
947.58075	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	915.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94049	18.3
68.80689	20.2
69.21749	21.2
82.44530	20.2
92.19405	57.6
121.02971	100.0
122.03274	30.5
122.82797	23.2
173.39203	25.9
177.09390	23.1
198.10652	27.0
279.37033	22.0
543.87897	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	915.356
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95441	11.9
83.02511	82.1
83.02970	5.2
83.80340	3.6
84.00914	96.2
84.02038	7.3
84.02816	4.2
121.02957	100.0
123.93795	3.3
147.79095	3.5
158.50429	3.5
210.99580	3.7
262.10950	4.2
319.15598	21.1
331.40747	3.5
403.17691	5.8
476.54297	4.0
524.54181	4.5
525.21320	63.3
770.32220	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	915.476
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00500	0.4
80.89724	0.5
91.31223	0.4
99.08144	3.4
127.11296	1.2
139.11256	2.7
167.14409	1.7
171.10280	7.7
183.13951	5.3
193.12231	0.7
194.76778	0.5
202.96582	0.5
209.11842	2.1
211.13411	36.7
229.14450	23.8
261.31577	0.5
293.21295	1.1
311.22232	1.2
329.23352	100.0
453.75153	0.7
626.15833	0.5
824.31555	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	915.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83522	1.0
66.68511	0.9
67.50266	0.9
69.51541	0.7
70.97716	0.8
74.23367	0.9
85.02938	9.5
97.06593	1.7
121.02896	1.2
127.87186	0.9
137.09740	4.1
159.43681	0.9
171.10277	33.7
183.13853	1.7
185.11884	1.5
211.13426	20.5
218.54645	1.0
219.86722	0.9
221.11774	1.8
229.14487	15.3
239.12964	1.8
291.19690	4.0
293.67462	1.0
324.21207	0.8
327.21786	100.0
503.12781	0.9
600.95215	1.0
633.30334	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	915.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89986	0.4
71.00993	0.7
71.01379	13.7
72.99332	0.4
76.19226	0.3
81.03444	1.6
83.01379	0.9
85.02943	2.1
89.02442	24.3
95.01367	0.6
95.99127	0.4
97.02939	0.5
97.80372	0.3
99.04510	2.4
101.02440	16.8
113.02445	7.5
115.03989	3.4
119.03488	10.5
131.03481	0.7
143.03555	0.6
167.81247	0.4
169.12283	0.5
175.14897	0.8
193.15977	12.0
214.25732	0.4
219.13913	0.5
229.05011	0.5
237.14996	3.1
255.15994	0.8
273.17130	0.5
305.51953	0.4
435.22388	100.0
436.22791	0.9
770.18158	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	916.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	10.4
101.68713	2.2
103.09840	2.8
103.16940	2.3
112.73351	2.8
121.02964	16.8
159.18422	2.4
176.07207	4.8
222.07726	38.3
446.20139	2.5
916.31781	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	917.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34877	0.6
68.58096	0.7
75.51556	0.7
75.99400	0.6
80.41763	0.7
84.97070	0.7
87.11870	0.7
89.02442	1.5
92.19507	1.1
109.02933	4.8
119.03462	0.8
121.02921	0.9
122.84837	0.7
123.04507	3.3
125.02445	52.3
135.03015	0.7
137.02438	12.7
139.04005	1.6
149.02444	3.2
151.03993	8.7
158.79147	0.8
161.02501	1.3
161.06082	1.2
162.03293	0.7
165.01941	6.9
167.03470	3.6
175.04036	6.0
177.01933	58.5
179.03522	4.7
182.43678	0.7
187.04024	3.6
188.04782	2.8
203.03453	1.1
203.07050	5.9
205.01495	0.9
205.05132	5.3
215.03531	1.1
217.05095	1.5
229.05200	5.2
243.02974	3.1
245.08124	12.4
247.06248	0.9
255.03029	6.2
256.03760	3.7
257.04532	1.4
261.04187	3.1
271.06189	1.3
271.22705	0.8
273.03925	5.8
281.04575	3.4
283.02393	3.6
285.04111	5.3
289.07233	25.2
297.04031	3.1
297.07596	1.0
303.05118	3.2
305.06757	3.3
315.09033	1.0
323.13391	3.6
339.08813	9.9
371.72504	0.8
381.09879	1.3
389.06915	0.9
407.07745	47.9
407.13202	1.5
423.07184	1.8
425.08841	63.6
441.08176	1.2
467.09747	3.6
593.13110	100.0
673.35498	1.0
756.91583	0.9
943.63715	1.0
943.82025	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	917.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65824	0.9
69.53580	0.7
70.33553	0.7
83.11714	0.9
90.02850	0.9
108.48974	0.8
117.10690	1.1
121.10236	14.1
171.10266	31.4
231.21165	4.6
275.20181	52.0
293.21246	100.0
316.65787	0.9
387.25446	1.7
405.26633	1.1
409.35962	1.0
577.10669	1.0
623.34399	17.4
917.48029	1.6
927.82971	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	919.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26783	0.3
71.01395	0.7
77.21596	0.2
79.62828	0.3
81.41035	0.3
89.14872	0.3
95.16297	0.3
105.06787	0.3
115.00371	1.4
125.02436	0.4
133.01428	4.7
134.03751	3.6
144.27274	0.3
145.96654	0.3
149.06085	0.5
151.00366	4.6
163.00444	0.4
178.99886	4.6
193.05035	8.3
255.03017	2.9
258.48795	0.3
261.63544	0.4
271.02475	6.8
272.03262	0.4
273.04001	0.6
278.72421	0.3
283.02768	0.4
300.02765	100.0
301.03534	32.9
301.07031	0.8
309.06213	1.7
343.04568	0.4
372.23752	0.3
609.14691	89.7
681.44147	0.4
791.31470	0.4
828.52301	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	919.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03455	1.5
97.02937	1.0
109.02940	4.9
123.04507	4.2
124.09279	0.8
125.02435	54.3
137.02417	11.8
139.31218	0.7
149.02409	1.7
151.04050	6.3
151.56009	0.7
161.02429	16.8
161.06046	1.4
163.04010	1.3
165.01898	1.6
167.03438	5.5
173.04556	25.0
175.04025	6.8
177.01898	1.3
179.03444	6.1
187.03995	3.5
202.06306	0.9
203.07167	6.8
205.01347	1.6
205.05057	5.9
215.03366	0.8
229.05110	2.8
243.02917	1.6
245.04530	4.9
245.08182	17.4
255.02823	4.8
256.03687	4.2
257.04568	1.5
269.04468	1.1
271.06207	0.9
273.04007	3.3
281.04410	5.0
283.02475	3.0
285.03943	3.6
287.05634	4.0
289.07184	34.5
297.04132	0.7
299.05679	3.1
339.08810	6.6
341.08752	3.6
380.59396	0.7
387.00262	0.8
389.06805	0.7
407.07727	38.3
407.83215	0.9
425.08823	39.5
451.10452	5.6
577.13580	100.0
578.15143	0.9
672.81458	0.8
952.69836	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	919.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33363	0.9
69.03439	2.0
71.01384	17.8
73.02931	2.2
83.83772	1.0
84.06557	1.3
85.02968	2.4
87.00879	1.9
89.02440	23.3
97.02936	1.5
99.00859	1.3
101.02435	20.3
113.02470	11.3
119.03494	6.7
125.02418	9.1
143.03468	1.3
161.04546	5.1
167.10722	1.6
173.63495	1.2
179.05637	1.7
179.14435	1.9
180.74242	1.2
195.13922	12.1
204.73021	1.1
205.12334	11.4
221.06618	1.6
223.13379	69.5
235.08211	6.2
255.23303	93.7
379.12332	8.6
389.32339	1.4
397.13550	23.8
415.14575	1.8
595.75348	1.2
603.26703	19.7
621.27515	7.5
629.55542	1.5
635.36548	12.6
653.37518	14.3
859.50641	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	919.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	15.5
73.02943	2.5
80.73191	0.4
83.01386	2.1
85.02938	2.5
85.28737	0.5
87.00877	4.2
88.59048	0.5
89.02443	19.6
95.01395	0.7
97.02934	3.3
98.51022	0.5
101.02441	18.7
113.02442	8.2
119.03477	4.9
125.02442	5.4
133.05107	0.6
143.03485	2.4
161.04539	2.9
167.10748	3.5
177.12932	0.5
179.05595	2.4
179.10780	1.1
179.14406	3.1
195.13913	11.0
205.12360	10.7
221.06619	2.2
223.13400	59.6
235.08244	4.3
243.45979	0.6
248.51598	0.5
252.54375	0.5
253.09366	0.9
255.23303	66.6
379.12372	7.2
397.13522	17.1
415.14856	1.8
603.17322	1.1
603.26581	18.8
621.27820	10.3
635.36578	11.4
645.56470	0.6
653.37616	10.8
750.71771	0.6
787.26819	0.6
859.50720	100.0
872.66620	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	920.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.2
72.99331	0.8
73.38326	0.7
87.00869	3.7
88.00400	1.9
88.98807	100.0
89.02441	17.6
114.93394	5.2
118.62611	0.8
121.02957	9.5
142.12796	0.8
199.40323	0.9
210.24562	0.8
213.65642	0.8
227.10774	0.8
260.12683	0.8
278.13971	1.1
525.21436	1.7
920.40015	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	920.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66687	0.4
64.74004	0.4
67.37484	0.4
71.01369	0.4
72.99309	32.0
80.92686	0.4
89.02435	2.0
98.06117	5.4
99.04523	13.7
119.05031	5.1
121.02956	16.8
134.06093	1.4
144.04529	1.7
172.11288	1.0
180.06624	0.8
188.10826	8.2
200.10832	3.1
204.06781	0.7
216.10309	20.9
244.09793	5.9
247.32094	0.5
262.10855	100.0
284.09268	0.6
293.34311	0.5
304.11938	7.9
305.61749	0.6
319.15695	0.8
329.17770	1.6
451.19809	0.6
673.83777	0.6
675.26617	0.7
825.36926	0.4
829.33942	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	920.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
87.21668	1.2
88.52019	1.2
121.02954	69.3
123.64716	1.2
125.02431	1.6
152.39169	1.4
192.10312	100.0
211.13417	12.7
359.51410	1.7
393.60779	1.4
455.82285	1.5
587.79919	1.7
734.31525	12.9
758.31885	1.6
776.33179	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	920.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69546	0.6
72.99303	3.6
83.01391	0.7
87.85867	0.6
97.02924	0.9
102.65878	0.6
103.33375	0.6
115.07637	23.4
119.05010	4.7
121.02951	100.0
128.10812	12.3
137.06030	1.0
148.07657	1.1
149.09818	0.9
150.82849	0.7
151.07620	0.9
157.69774	0.6
163.04028	1.1
165.09248	2.6
176.07195	4.0
185.19666	0.6
191.07158	0.9
194.08221	0.8
229.12218	3.4
230.15495	1.0
232.47130	0.7
246.15025	3.1
247.13458	0.9
269.12027	0.8
274.14499	16.3
277.12976	0.8
289.14496	1.2
292.15561	7.9
309.04990	0.7
313.14456	3.0
319.15546	18.5
327.16031	1.0
343.15643	2.6
361.16519	2.6
373.16541	3.1
403.17670	3.1
425.97668	0.7
525.21368	22.9
648.31897	1.3
671.25128	10.1
678.33044	3.1
770.35858	4.0
800.36584	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	920.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
72.61878	2.3
72.99315	4.2
74.57814	1.9
81.10603	1.5
82.93807	1.5
87.17323	1.7
87.74497	1.7
93.42597	1.9
115.07632	28.2
119.05026	2.3
121.02955	100.0
128.10875	12.6
163.06288	1.7
175.04668	1.7
176.07230	7.6
228.93718	2.3
255.23247	1.8
274.14471	18.3
292.15497	21.8
310.60107	1.7
313.14426	3.1
331.15656	3.4
373.16452	3.2
433.89044	2.0
477.19110	2.1
525.21368	2.2
708.34387	9.3
800.36505	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	921.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
83.52609	0.6
92.17784	0.6
95.13657	0.5
109.02948	10.6
111.04517	13.6
114.73784	0.6
123.00858	2.4
124.01633	0.9
125.02445	17.8
137.02455	10.4
138.03252	1.4
139.04015	62.3
151.03993	3.5
152.14436	0.6
161.02431	2.9
163.00366	14.3
164.01170	17.2
165.01889	4.3
166.02650	0.6
167.03510	4.9
177.01932	33.7
178.02710	8.9
179.03503	46.4
181.05077	1.2
193.05045	2.8
195.06746	1.1
204.00606	2.3
204.36075	0.6
219.02985	4.0
229.05009	1.4
241.04912	0.8
243.02995	4.7
255.02977	2.7
256.03732	2.3
257.04562	1.1
269.04416	0.9
271.06024	4.1
282.01743	11.8
283.02512	8.1
285.04056	1.2
286.04654	0.7
297.04077	0.7
299.02069	0.7
301.07272	1.3
314.04517	0.9
319.08240	15.3
357.06042	0.6
417.06061	3.4
418.06918	2.3
435.07129	1.2
497.10983	24.3
531.44495	0.7
539.12134	1.4
615.11658	1.0
633.13263	1.2
643.14746	5.6
649.24799	0.7
769.17871	100.0
851.29608	0.8
921.19171	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	921.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85108	0.8
68.21456	0.8
78.80392	0.9
93.03468	0.9
109.02946	15.2
111.04509	17.7
123.00918	1.3
123.04469	1.7
124.01669	1.1
125.02440	28.9
137.02443	11.3
138.03203	1.7
139.04015	78.9
151.03990	3.9
161.02390	1.8
163.00356	20.2
163.99890	1.7
164.01170	23.5
165.01920	7.0
166.02670	1.3
167.03488	7.3
177.01936	45.1
178.02756	10.0
179.03496	62.1
181.05003	1.4
193.05048	4.4
203.07268	1.1
204.00679	1.6
219.03024	1.4
229.05078	2.2
243.02998	7.0
255.02963	4.1
256.03717	2.1
257.04495	2.2
269.04547	2.1
271.06116	6.6
282.01724	12.5
283.02530	11.1
285.04095	1.4
287.05612	1.0
297.03940	1.1
299.01840	1.5
301.06995	2.0
315.05118	1.6
319.08243	17.3
329.50601	1.0
357.06143	4.0
417.06076	1.7
418.07202	1.5
435.07361	2.1
497.10892	24.2
539.12085	3.1
601.10748	1.0
633.13293	1.6
643.14691	5.7
769.17871	100.0
852.30225	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	921.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44167	0.9
80.04836	0.8
92.19955	1.0
93.03450	1.2
109.02954	11.0
111.04500	5.9
113.29166	0.9
116.46732	0.9
121.02913	1.5
123.00868	1.0
124.01645	2.2
125.02470	10.1
133.02933	1.0
137.02432	15.4
138.03233	5.8
139.04007	34.6
147.00879	3.9
151.03966	4.7
153.05563	2.0
161.02484	2.2
163.00339	12.0
164.01115	9.4
165.01939	1.2
167.03477	4.5
175.00372	32.5
176.01201	1.7
177.00482	1.5
177.01930	29.7
178.02696	9.3
179.03506	29.2
181.05029	1.0
191.03596	3.3
243.03008	1.6
255.06688	1.4
256.03735	4.5
257.04602	10.2
267.06778	1.4
269.04541	5.8
270.05225	1.8
271.06018	4.4
272.03366	1.1
273.04224	1.1
282.01852	1.0
283.02484	2.0
284.03238	2.0
285.04236	1.2
285.07629	1.5
296.03232	7.0
297.03958	12.6
299.02448	1.2
299.05579	7.2
299.99609	1.4
300.02811	28.9
309.04126	1.6
311.05719	3.2
313.03650	1.4
313.07040	1.0
315.05139	100.0
317.06680	1.2
319.08249	6.2
335.07928	3.6
340.02249	2.1
355.04465	1.0
375.04971	1.1
388.06024	1.1
406.06836	1.2
428.05264	1.0
429.06216	2.0
433.05289	2.1
435.07004	4.5
437.08762	1.1
451.10223	1.8
475.06973	1.0
495.09433	14.2
497.11032	1.8
568.10455	3.4
569.11023	2.2
583.12579	1.5
585.13855	1.9
601.13599	63.1
635.14258	16.5
763.16956	9.0
783.19714	17.1
799.18933	1.5
871.19781	1.9
889.19476	1.8
921.22559	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86856	2.0
102.15855	2.3
109.02954	30.8
111.04535	18.5
123.00915	3.9
124.01687	3.0
125.02372	20.2
137.02483	22.1
138.03226	3.5
138.98232	2.3
139.04018	76.2
147.00888	3.9
149.02391	3.5
151.04007	13.0
161.02420	3.5
163.00354	25.4
164.01147	25.5
165.01897	3.3
167.03474	9.5
167.88669	2.7
175.00363	76.9
176.01193	4.7
177.01944	39.4
178.02655	14.0
179.03494	53.1
183.24268	2.4
184.90524	3.1
189.01944	3.3
191.03494	4.1
203.71271	2.3
210.60701	2.2
219.28990	2.4
223.02577	2.5
245.04504	2.8
256.03757	9.8
257.04507	16.3
259.05847	2.5
262.90375	3.2
269.04608	10.4
270.05344	2.8
271.02368	2.5
271.06339	4.7
281.00540	2.6
281.04562	2.9
283.02451	5.4
285.07501	3.8
296.03302	15.7
297.03967	20.2
299.05548	9.3
300.02866	20.7
311.02090	3.2
311.05511	3.6
313.06995	3.2
315.05124	77.2
319.08237	13.4
325.03647	5.4
337.03677	3.1
396.94568	2.8
416.73370	2.5
433.05511	3.3
435.07458	2.6
435.48752	2.5
493.07724	5.0
495.09210	19.7
497.11246	9.8
583.12286	3.1
601.13550	63.6
617.12817	3.1
635.14105	31.6
737.20288	3.1
763.16449	4.7
769.17908	5.9
779.16547	11.8
783.19379	15.4
785.18103	3.1
811.19116	5.6
871.18646	4.8
921.22498	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	922.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26254	0.2
73.02953	0.3
76.60696	0.2
95.76453	0.2
99.92580	4.1
99.96142	0.2
110.29590	0.2
114.93433	0.3
115.01703	0.2
116.92859	100.0
117.01941	0.4
187.78365	0.2
289.55786	0.2
331.31390	0.2
758.05530	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	922.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
72.51528	0.2
72.99317	0.7
73.02943	0.2
88.98801	1.2
99.92585	4.5
114.93422	0.8
116.03517	0.3
116.92858	100.0
116.97261	0.9
117.01945	1.4
136.28548	0.2
179.18724	0.2
295.46832	0.2
298.31183	0.2
409.32233	0.2
494.48337	0.2
689.04169	0.2
915.21167	0.2
958.99139	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	922.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43832	0.4
66.94556	0.3
85.02965	0.9
97.02943	0.8
98.02460	7.0
99.04530	0.4
99.92570	0.5
103.04021	0.8
109.02900	0.4
111.04502	1.9
116.92860	1.9
119.05057	0.5
121.02950	100.0
133.89561	0.4
139.04002	0.8
141.34801	0.4
163.07610	0.5
165.09201	2.4
168.28897	0.4
189.05800	0.5
191.07155	2.2
203.14648	0.5
205.02588	0.4
216.06593	0.7
229.12370	0.7
233.11746	0.7
244.06241	0.9
247.13388	0.7
262.07220	0.5
295.13211	0.4
319.15506	24.0
319.19269	0.8
361.16669	2.6
373.16544	2.9
403.17648	1.9
425.71881	0.5
525.21307	45.7
770.28265	5.4
802.30511	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	922.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99316	4.1
74.94086	0.9
75.00874	100.0
83.31114	1.1
91.03956	0.9
99.92583	1.2
116.92865	33.3
121.02956	23.4
162.91150	1.0
319.15494	4.5
373.16599	1.1
378.40677	1.0
525.21448	14.6
786.34186	2.3
849.19287	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	922.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52377	17.8
69.62058	17.9
177.52771	24.7
193.55875	22.8
223.13338	27.4
255.23256	29.1
402.16483	28.2
862.51453	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	923.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67303	3.3
100.11511	4.2
105.20860	3.3
115.07623	25.9
119.04986	4.1
121.02961	100.0
122.03295	41.5
128.10832	5.9
174.36365	4.1
275.14691	5.4
319.15515	7.3
321.16000	5.9
333.23080	3.7
362.67117	4.6
450.34412	4.1
527.21527	14.8
528.22260	8.8
552.19788	4.2
674.25586	5.3
802.36505	5.1
803.37567	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.5
97.02959	4.0
119.42639	0.6
121.02969	1.1
177.12852	5.7
191.14430	11.9
193.16014	4.3
198.81000	0.5
199.11810	0.5
203.14445	5.3
204.04272	1.1
205.12352	5.1
205.15984	0.6
206.13051	0.9
221.15472	100.0
247.13342	2.1
265.14459	86.8
702.06616	0.6
727.24005	0.7
745.25043	2.3
923.32153	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	923.7359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26627	0.6
89.87556	0.6
134.67479	0.7
172.99400	0.8
182.09196	0.7
196.55626	0.6
205.57281	0.8
239.35567	0.8
258.02811	0.7
306.70776	0.7
344.34818	0.8
399.36191	3.1
443.35239	1.6
461.36401	100.0
484.86963	0.7
644.07727	0.7
691.14459	0.8
756.39203	0.9
781.14197	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	924.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20885	0.5
72.99306	26.2
75.00849	0.6
89.02442	3.2
91.05526	7.5
97.01803	0.4
102.03477	2.3
104.05036	3.8
117.03489	0.6
118.02948	0.5
119.05013	8.2
120.04552	6.3
121.02946	46.0
132.04602	4.9
135.04517	0.7
163.03987	6.4
165.09273	0.6
210.09242	19.0
220.07750	0.7
222.09251	2.1
238.08740	40.6
240.83051	0.5
266.05643	0.6
266.08221	16.8
278.14368	0.5
284.09302	100.0
301.14392	1.2
319.15552	6.8
451.19797	5.3
475.19754	0.6
493.21210	0.8
535.21716	2.8
540.59918	0.5
615.25372	0.7
657.25562	9.4
771.27246	0.6
803.29108	2.4
924.34741	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	925.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
113.05660	11.6
121.02946	100.0
122.03254	18.4
390.39594	11.4
526.21417	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	926.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71751	1.0
67.28669	0.8
72.99319	1.1
76.11163	0.8
76.80814	0.9
78.91911	0.9
95.58627	0.9
97.02913	1.3
106.07166	0.9
119.05019	5.7
121.02947	100.0
134.06125	13.5
152.10651	0.9
165.09175	1.9
213.58029	0.9
229.12462	1.8
252.10445	1.1
280.09790	5.9
286.23853	1.0
298.10837	3.6
313.14575	1.2
319.15509	19.9
343.15607	1.9
349.94498	0.9
373.16650	2.0
403.17462	1.1
525.21240	19.7
671.25470	8.5
684.28101	1.4
776.31024	1.6
806.32196	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	926.361
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	27.7
73.81718	0.9
78.88423	0.8
102.03524	1.1
104.05018	1.1
119.04994	6.1
120.04554	4.9
121.02946	54.6
123.99385	0.9
132.04539	3.3
162.28375	0.9
198.01146	0.8
210.09259	12.5
238.08725	25.4
266.08087	6.6
284.09286	100.0
318.83218	0.8
326.10349	5.3
617.26270	4.7
621.85669	0.9
713.94708	0.9
816.82172	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	926.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28172	0.6
69.41386	0.6
83.85515	0.6
85.02919	0.9
103.03994	0.9
111.04523	0.8
121.02950	100.0
137.02606	0.7
146.53171	0.6
162.05598	1.2
165.09167	3.0
181.08765	0.9
191.07202	1.2
194.22260	0.7
218.79471	0.7
284.09302	2.6
319.15494	23.9
361.16592	1.1
403.17761	1.0
525.21313	54.3
585.79785	0.7
806.32104	4.3
926.37000	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	927.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16779	0.3
73.54774	0.3
80.61370	0.3
84.73163	0.3
92.19540	0.5
106.82307	0.3
116.18981	0.3
151.00351	4.0
155.92767	0.3
163.00392	0.4
169.35564	0.3
178.77898	0.3
178.99838	3.4
215.69595	0.4
243.02904	0.4
255.02977	3.7
271.02557	7.0
272.03180	1.4
273.04163	0.4
283.02420	0.6
300.02753	100.0
301.03543	37.0
463.08862	92.9
722.04919	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	928.25
Annotation	Unknow
Peak:m/z	Relative Intensity
72.27946	0.3
72.99316	0.5
73.02945	0.7
75.00868	11.7
99.92594	4.1
109.82411	0.3
111.44054	0.3
114.93400	0.6
116.92857	100.0
117.01932	2.2
121.02948	23.8
125.63686	0.4
128.02905	0.4
133.42264	0.4
154.04601	0.4
165.09232	0.5
266.40652	0.4
319.15500	5.9
361.16580	0.5
448.65387	0.4
525.21350	15.8
555.43817	0.4
746.10522	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	928.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
74.41238	0.4
99.92577	4.6
114.93388	0.5
116.92851	100.0
116.97213	0.6
117.01935	1.8
128.56027	0.4
137.82965	0.4
139.68143	0.5
146.99565	0.4
198.68741	0.3
640.79205	0.5
710.11096	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	928.341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74792	0.7
71.22076	0.7
72.99305	4.5
75.00874	48.8
84.35676	0.7
85.02944	0.8
85.45500	0.7
87.16800	0.8
91.52541	0.8
98.26864	0.7
101.51052	0.7
101.61727	0.7
111.04523	1.0
116.92863	28.7
121.02953	100.0
143.04570	0.7
165.09247	1.5
222.35130	0.8
229.12306	1.0
243.14328	0.8
319.15512	28.2
329.14694	1.1
361.16135	1.1
373.16592	1.8
395.60590	1.0
403.17505	1.7
437.09259	1.0
514.90906	0.9
525.21338	68.3
792.30182	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	929.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	1.1
65.05529	0.8
67.36448	0.8
74.58493	0.9
74.62402	0.9
77.62228	0.8
83.01385	2.3
83.59886	0.9
105.53477	0.9
107.01385	3.9
109.43532	1.0
110.14755	0.9
125.02441	7.8
126.31621	1.1
137.02432	3.8
142.44106	0.9
151.00366	26.4
152.01157	3.8
156.36423	0.9
163.00259	1.0
163.26257	1.0
165.01863	1.2
167.03499	10.6
169.01434	1.4
175.65269	1.1
177.01855	3.6
178.99863	52.5
179.03381	1.2
193.01419	4.5
243.02827	1.3
255.03047	5.0
256.03790	1.0
257.04428	4.9
259.02481	9.9
260.03497	7.5
260.05850	1.4
261.04077	1.6
269.04471	1.8
271.02362	4.4
272.03223	4.0
273.01251	1.3
273.04062	32.1
275.05515	1.4
279.09256	1.2
280.58527	1.2
283.02505	12.1
285.04056	6.3
287.02032	6.7
288.02750	5.1
295.02460	2.0
297.04062	3.5
299.01917	8.0
300.02762	1.8
301.03546	12.9
303.04999	1.4
309.00323	4.2
311.01828	6.5
311.05243	1.2
312.02768	2.3
313.03659	7.4
315.01370	6.0
315.04706	1.6
316.02118	7.0
325.03549	14.0
328.02127	1.3
329.03143	1.4
349.03546	11.2
363.05292	1.3
365.03113	1.3
373.03503	4.1
379.04575	1.3
387.05374	1.4
391.04605	14.6
419.03644	1.9
435.03726	6.7
437.04544	1.3
531.51019	1.2
621.09296	1.1
777.18976	2.0
791.16913	16.2
818.36523	1.3
929.19977	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	929.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95930	0.3
69.95009	0.3
70.02994	0.4
74.02095	0.3
74.02464	2.7
89.02422	0.3
90.92767	0.3
92.19470	0.3
98.02431	0.5
101.29967	0.3
116.03551	2.6
116.05021	0.6
125.02430	0.7
151.00339	2.8
178.99908	3.7
187.93175	0.4
193.01443	0.5
203.08286	5.8
213.34911	0.3
225.01584	0.4
245.09329	7.4
271.02441	1.8
285.03912	1.4
287.01935	2.7
289.08234	0.4
300.02625	1.5
301.03464	1.4
314.97659	0.5
315.01477	28.6
316.02179	6.4
330.03821	86.3
331.04611	33.9
451.21808	0.5
549.98492	0.5
609.14874	0.6
639.15759	100.0
663.79474	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	930.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21062	0.9
71.01377	1.1
72.99306	5.3
73.02936	2.1
75.45212	1.0
110.58547	1.3
115.53721	1.2
119.05001	1.1
121.02962	20.6
144.04578	1.4
162.05646	1.7
190.08789	6.7
201.23715	1.1
236.09286	40.0
728.04822	1.3
930.33423	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	930.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71135	1.1
81.07089	6.0
91.38240	1.3
97.02970	1.6
119.05035	3.0
121.02951	100.0
125.06110	1.6
132.08232	2.0
148.07619	2.4
165.09203	1.9
175.54797	1.5
176.07143	15.7
194.08269	5.9
217.20193	1.8
232.81717	1.4
266.11890	2.2
284.12924	33.6
292.76703	1.5
302.13916	2.0
319.15656	21.1
319.37335	1.6
403.17834	2.0
490.18851	1.6
525.21320	27.2
671.25153	6.6
702.29572	6.6
810.34894	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	931.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
78.83514	1.6
82.95429	9.8
83.02521	53.5
84.00912	78.0
84.01991	17.5
84.02835	3.3
106.68642	1.8
119.64400	2.0
121.02944	100.0
127.28407	1.9
278.13995	3.2
319.15561	21.9
361.16568	3.0
373.16586	2.5
403.17535	4.4
525.21368	63.3
555.62531	1.8
691.76520	2.0
786.35974	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	932.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33403	2.1
88.82566	2.1
96.65124	2.0
103.04013	11.5
116.43359	2.1
121.02959	100.0
198.94276	2.5
212.95602	2.6
230.50198	2.9
284.09381	3.2
294.14673	2.5
319.15549	26.4
373.16824	3.9
457.14789	2.9
525.21405	73.3
792.30243	4.1
921.03235	2.7
932.31238	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	932.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89410	0.9
71.01372	1.1
72.99310	30.0
75.10708	1.0
89.02439	2.1
92.19434	2.2
110.02452	2.6
111.00887	10.7
112.84608	1.0
119.05009	7.1
121.02948	39.6
132.04550	1.7
200.07146	5.7
228.06654	17.5
256.06204	7.2
274.07224	100.0
316.08228	5.8
451.19806	2.2
493.91251	1.2
582.79742	1.2
657.25452	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	933.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61864	0.4
71.01379	10.4
71.15230	0.4
72.80981	0.4
87.10305	0.4
91.08097	0.4
92.20151	0.9
104.65135	0.4
115.00368	6.7
117.03436	2.2
119.05008	3.0
131.06366	0.4
133.01419	15.3
134.03743	28.4
149.06078	7.7
163.03996	11.0
173.37433	0.4
178.02753	3.1
193.05063	100.0
212.39507	0.4
219.78891	0.5
243.02934	0.5
271.02448	0.8
279.05023	2.4
285.03992	0.7
299.01926	4.9
300.02792	4.3
309.06165	18.5
314.04343	9.3
315.05112	15.2
330.03961	0.6
344.05301	0.8
345.06183	1.9
382.48154	0.5
400.54700	0.4
455.58316	0.5
596.26331	0.5
623.16187	22.7
623.26392	0.8
642.79480	0.5
653.18018	3.5
798.13757	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	934.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80377	1.5
72.99320	2.9
78.65076	1.9
84.68513	2.0
115.07636	4.3
119.05036	1.9
119.22292	1.7
121.02952	100.0
180.06628	2.3
222.54047	2.1
232.13397	7.7
260.13062	2.2
278.13983	47.5
320.15213	3.0
347.34146	1.9
379.70020	2.2
406.42648	1.9
491.19275	11.3
509.20264	39.8
537.92560	1.8
551.21588	2.3
655.24170	3.6
770.34418	16.9
879.93286	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	934.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	2.5
91.05521	1.6
108.03653	1.5
119.05008	2.7
121.02071	3.4
121.02950	100.0
127.61143	1.7
129.09216	17.3
132.08279	1.7
142.12379	12.4
176.07137	3.4
197.11893	1.5
215.34084	1.8
217.86444	1.8
260.16537	2.4
288.16113	14.7
288.37112	1.7
306.17102	7.1
319.15500	18.3
325.53690	1.7
343.15506	1.7
344.83813	1.9
525.21332	21.0
671.25098	8.5
784.36676	2.6
814.38416	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34814	0.5
81.03444	0.6
93.03446	0.5
100.97504	0.6
103.71332	0.4
109.02950	12.6
111.04515	14.5
113.15190	0.4
116.03541	0.5
121.02943	0.8
123.00858	1.8
124.01664	1.1
125.02433	8.6
135.04506	0.8
137.02454	7.1
138.03264	1.8
139.04021	68.5
149.02435	0.7
151.03987	4.6
153.05542	0.7
161.02429	3.3
163.00377	19.6
164.01166	12.6
165.01918	0.9
167.03470	6.1
177.01947	25.5
178.02722	12.1
179.03508	50.9
181.05113	1.0
193.05150	3.6
195.06653	1.0
204.00609	2.0
219.02956	1.8
255.02887	0.7
257.04565	8.5
267.06644	1.0
269.04550	2.9
270.05402	0.5
271.06177	2.5
283.06097	0.8
285.07709	3.6
289.07138	0.6
296.03265	12.3
297.04068	11.0
299.05667	0.6
301.07150	2.3
313.03427	0.8
313.07083	0.9
315.05093	2.4
319.08243	13.9
357.06149	2.5
425.12506	0.6
431.07892	2.6
432.08459	3.4
449.08728	2.5
463.10455	1.0
497.04343	0.9
497.10980	14.9
615.12488	2.0
643.15198	1.0
751.16449	0.8
779.19232	0.5
783.19476	100.0
809.17529	0.7
848.56006	0.5
871.18884	2.4
917.18835	0.7
935.20410	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	935.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
77.78329	0.5
93.03411	0.7
93.35577	0.6
101.90240	0.6
109.02969	10.6
111.04517	15.2
121.17616	0.6
123.00871	1.2
123.68905	0.6
124.01653	1.3
125.02467	7.5
133.22676	0.6
137.02435	4.8
138.03258	0.8
139.04015	66.7
145.38652	0.6
149.02393	0.8
151.04024	3.7
161.02443	2.7
163.00375	18.2
164.01163	12.9
165.01949	0.8
167.03471	6.4
177.01926	25.0
178.01231	0.7
178.02740	12.7
179.03506	53.1
181.05057	1.0
193.05032	3.1
195.06624	0.8
204.00653	1.5
219.02893	1.4
244.36633	0.6
250.26505	0.6
257.04572	8.8
259.06085	0.9
267.06662	0.7
269.04593	2.8
270.05170	0.8
271.06140	1.2
282.01764	0.7
285.07709	2.7
289.07272	0.8
296.03271	11.3
297.04117	8.4
301.07251	0.7
313.03824	0.9
315.05148	2.5
319.08252	14.1
357.05942	2.3
409.02567	0.7
431.07870	1.4
432.08234	2.1
449.08871	1.5
463.10510	0.7
497.10892	15.7
594.04456	0.6
615.14911	1.1
755.30444	0.8
765.19214	0.6
778.63776	0.6
783.19440	100.0
895.44904	0.7
935.19275	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	935.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65305	0.2
71.01376	1.3
82.96342	0.2
90.02200	0.2
93.48537	0.2
97.36678	0.2
105.06051	0.3
115.00320	0.4
121.03017	0.3
125.02465	0.3
149.02428	1.5
151.00357	4.7
164.04788	3.6
167.40907	0.2
177.93530	0.2
178.99834	4.1
179.07094	0.4
181.50990	0.2
208.03825	1.0
223.06120	10.5
243.03035	0.4
255.03018	3.0
271.02475	5.1
272.03354	1.0
273.03983	0.6
283.02466	0.4
300.02750	100.0
301.03525	36.7
339.07263	1.0
595.13080	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03764	3.8
83.09569	3.3
109.02953	4.5
110.38715	4.3
123.04530	3.9
125.02448	71.6
137.02438	20.8
151.04068	6.4
166.58401	3.8
167.03470	6.0
173.04568	28.3
177.01935	68.4
179.03477	4.8
203.07079	5.5
205.05089	4.4
229.05048	3.9
245.08127	17.0
246.62038	3.6
255.02827	5.2
273.04013	5.3
285.04187	5.3
289.07217	38.2
336.85898	3.7
339.08804	6.1
376.60654	3.9
407.07794	46.6
425.08896	65.3
593.13202	100.0
645.18964	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	936.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88406	0.2
72.99300	3.0
73.02918	0.3
73.34456	0.2
99.92574	4.0
114.09238	0.5
114.93399	0.4
115.07647	1.2
116.92857	100.0
117.01923	0.9
119.05019	0.7
121.02972	2.3
134.06189	0.2
144.04579	0.3
157.90279	0.2
162.05612	0.9
177.67180	0.2
180.06691	1.0
204.13890	0.3
216.13828	0.3
226.65891	0.2
230.99280	0.2
232.13412	2.0
260.12732	0.7
278.10846	0.4
278.13956	10.0
320.15048	0.4
394.40012	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	936.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
83.56541	0.5
87.00879	2.9
88.00404	6.0
88.98805	100.0
89.02447	11.7
95.75021	0.5
105.04204	0.5
106.74768	0.5
107.99535	0.5
121.02950	3.4
127.98035	0.5
279.62238	0.6
400.75049	0.6
496.40256	0.5
525.21478	2.2
819.97821	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	936.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	2.7
78.30749	0.6
81.38454	0.7
85.02974	0.8
89.78092	0.5
90.29649	0.6
91.05559	0.9
99.00890	13.0
99.26922	0.6
111.04496	1.1
112.04043	9.8
119.05018	4.9
121.02951	100.0
125.99599	1.0
131.03500	10.1
163.03925	0.8
165.09183	3.2
169.40211	0.6
175.07625	1.0
176.07193	2.9
191.07028	0.8
194.08243	2.5
202.08771	1.1
215.10670	0.6
229.12222	1.4
233.11739	0.6
251.86940	0.7
262.10748	1.5
290.10358	15.6
308.11417	3.2
313.14456	1.6
319.15527	18.3
343.15451	1.5
350.12329	0.9
361.16583	2.7
373.16519	1.1
403.17517	1.1
470.04846	0.8
525.21338	23.0
526.21454	2.3
527.22180	1.5
664.27527	0.7
671.25018	8.0
694.28406	0.8
786.31256	2.6
816.32416	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	936.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
72.99307	24.1
84.13033	0.5
85.68885	0.5
89.02437	0.7
93.66315	0.5
94.14398	0.5
97.06618	0.7
114.09246	8.2
115.07642	17.5
116.92861	2.5
118.06636	2.0
119.05022	5.7
121.02953	14.1
132.04544	1.0
134.06136	7.4
134.91876	0.6
144.04550	3.0
145.19008	0.4
162.05563	5.7
169.65169	0.4
180.06657	11.4
190.56659	0.5
202.65598	0.5
204.06612	0.5
204.13950	5.2
216.13893	2.0
232.13417	18.6
260.12943	6.1
278.13986	100.0
302.14166	0.7
320.14978	11.6
451.19748	0.5
633.25769	0.6
657.25598	0.6
675.26617	1.9
800.25897	0.5
943.95734	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	937.34
Annotation	Unknow
Peak:m/z	Relative Intensity
71.74694	2.5
72.99311	3.3
81.23090	2.7
82.95404	13.6
83.02517	40.4
84.00913	61.7
84.02049	3.9
84.02824	2.9
92.20162	3.0
103.10022	2.6
103.25314	2.3
104.53839	2.2
121.02954	100.0
154.38033	2.1
284.09381	2.8
319.15485	23.2
403.17737	3.3
525.21234	52.0
792.29535	3.0
837.82544	2.9
856.15619	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	938.383
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	27.8
79.11877	1.3
90.13538	1.6
93.62397	1.5
95.57448	1.3
95.74404	1.3
98.06144	3.2
99.04513	12.9
119.05041	3.2
121.02958	86.1
167.02170	1.8
188.10815	2.6
200.10733	1.6
216.10246	14.5
244.09708	7.9
248.34032	1.6
262.10849	100.0
304.11859	29.0
535.22260	1.8
553.23309	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	939.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
77.64714	1.2
77.72085	0.9
125.02439	57.7
137.02460	13.5
139.04022	6.9
151.04005	1.2
161.02458	1.2
165.01903	10.2
167.03488	8.5
175.03995	2.7
177.01942	46.8
177.05440	1.2
179.03450	11.0
219.06619	8.6
221.04575	5.2
226.19817	1.1
243.03027	2.6
248.12766	1.3
255.03043	6.8
257.04608	1.7
260.58469	1.1
261.04059	2.2
261.07553	2.3
269.04523	1.3
273.04218	1.2
283.02502	13.5
285.04001	7.1
297.04007	8.3
303.05099	2.0
305.06680	22.4
355.07977	1.4
423.07217	32.1
441.08261	27.0
483.09262	1.7
609.12598	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	939.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	7.1
75.93681	6.4
80.87167	4.9
89.02435	23.7
101.02474	20.1
119.03487	7.4
121.55741	5.4
125.02411	5.5
132.74551	5.2
168.35625	5.5
183.13914	8.2
211.13374	100.0
255.23277	85.3
330.18826	5.6
379.12521	19.1
397.13422	20.1
518.10327	5.7
591.26801	25.3
635.36475	7.0
638.47296	5.4
654.88293	5.6
847.50574	78.7
914.02625	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	940.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43307	1.4
71.01390	7.1
72.99305	38.1
83.65830	1.6
84.00894	1.4
85.02960	2.6
89.02460	6.6
106.14085	1.3
119.05038	10.9
120.04533	8.2
121.02957	53.1
128.03548	2.6
129.01888	2.5
156.83746	1.5
204.69356	1.7
210.09235	9.3
238.08743	30.0
240.13704	1.5
266.08179	3.6
266.31342	1.5
284.09302	100.0
299.62387	1.8
326.73935	1.5
491.19058	7.2
509.20139	2.2
551.21277	7.0
613.23352	3.4
673.25153	60.7
940.34454	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	940.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53670	2.0
70.69217	2.2
71.01385	17.2
71.07928	2.5
72.99293	12.2
89.02424	29.4
91.05546	3.7
105.04093	2.1
113.02406	3.4
115.03977	3.4
119.04982	3.6
121.02950	36.0
157.31247	2.4
163.04019	40.2
165.09196	15.8
175.07660	3.9
179.88603	2.5
193.08716	36.0
203.10751	4.7
210.09169	9.2
225.09239	11.4
238.08635	24.2
254.09474	9.5
266.08243	13.3
283.13281	2.7
284.09204	42.7
299.12891	4.6
341.14108	5.1
431.17181	3.3
491.19250	55.9
509.12677	3.7
509.20261	100.0
551.13300	3.8
551.21405	76.2
655.24054	14.0
758.28455	3.5
776.29303	12.3
818.30219	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	940.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	2.4
72.99306	18.8
73.02915	0.4
77.53070	0.4
85.14490	0.3
88.43240	0.4
89.02454	2.8
92.20032	0.6
118.06660	0.6
119.05054	0.9
121.02074	1.0
121.02957	29.8
124.92882	0.4
134.06142	3.6
137.28987	0.4
144.04533	7.5
148.07693	2.3
158.91046	0.4
160.07698	0.8
162.05620	4.8
176.07176	18.8
180.06662	6.2
204.06668	11.6
222.07727	100.0
241.72676	0.4
260.31686	0.4
264.08762	2.8
278.65265	0.4
301.14523	0.7
319.15353	2.9
357.65613	0.4
361.12051	0.5
451.19705	3.2
493.20462	0.6
633.25647	1.0
657.25366	4.7
675.27576	0.9
733.85327	0.4
862.33441	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	940.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
80.83034	1.0
87.42295	1.0
88.77279	1.2
91.05520	8.5
100.15796	1.2
111.04518	1.5
119.04987	2.6
121.02954	100.0
125.02452	1.4
132.08214	4.5
135.04541	1.6
148.07661	5.3
165.09152	1.6
176.07181	19.8
191.07141	1.2
194.08240	7.4
226.42682	1.3
229.12300	2.0
294.11362	25.0
312.12494	2.0
319.15515	19.7
343.15710	2.1
361.16614	1.5
373.16577	2.0
403.17410	2.4
414.12607	1.3
431.23450	1.1
525.21423	25.9
671.25232	6.1
702.29681	8.6
820.33441	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	941.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	17.0
74.43715	3.4
81.74203	3.4
82.69855	4.0
89.02458	24.6
90.66518	3.7
101.02435	16.5
101.49313	3.2
153.11919	3.5
167.10791	4.4
195.13966	15.0
205.12375	6.6
216.64075	3.5
223.13425	74.9
277.21674	53.4
296.00906	3.8
306.49319	4.0
379.12418	7.6
397.13513	6.4
442.34735	4.3
603.26428	28.8
621.27777	17.8
625.55115	4.6
657.34705	4.1
789.12720	4.2
881.49414	100.0
901.67493	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	942.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97912	0.5
72.68677	0.6
87.00882	1.1
88.00399	2.6
88.98801	100.0
89.02436	3.8
110.66748	0.9
121.02935	9.2
319.15375	1.6
355.10892	0.8
475.64783	0.8
525.21234	5.8
794.48615	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	942.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	23.8
85.02937	0.4
85.14194	0.3
89.02440	4.1
91.05513	0.6
102.03484	0.6
104.05058	1.7
109.39851	0.3
113.02377	0.4
118.78231	0.3
119.05025	7.9
120.04531	7.2
121.02949	56.6
122.71837	0.3
132.04565	2.8
135.04506	0.7
144.04588	0.3
149.04532	0.4
164.29185	0.3
165.09212	0.5
201.12814	0.4
204.06679	0.6
210.09254	11.8
220.07613	0.5
222.09209	1.7
229.86838	0.3
238.08739	26.5
250.34303	0.3
266.08255	7.3
284.09290	100.0
301.14624	0.5
308.09311	0.7
319.15506	3.6
326.10364	7.4
451.19510	3.3
493.20633	2.1
511.21716	1.6
614.71393	0.3
615.24036	0.7
633.25873	1.8
657.25836	3.7
675.26825	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	943.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	6.0
107.02543	0.1
115.00364	4.3
116.15415	0.2
125.02441	0.2
126.01386	0.2
134.03734	10.3
137.02420	0.3
149.06073	18.0
174.66306	0.1
178.02711	8.7
192.04268	0.2
193.05061	100.0
235.06181	0.2
254.56015	0.1
276.40454	0.2
345.46899	0.1
355.10352	17.1
453.03995	0.3
453.10413	7.6
471.11444	21.7
540.38489	0.2
543.19690	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	944.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61196	1.0
72.99294	7.9
74.17044	1.2
87.04511	2.0
88.14389	1.1
89.02419	1.8
95.85590	1.2
121.02926	18.6
180.06647	2.1
190.73026	1.2
204.10298	8.7
232.09782	1.9
250.08440	2.1
250.10851	38.4
303.43991	1.1
380.82663	1.3
451.19809	1.5
657.25555	2.2
766.88733	1.3
944.34888	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	945.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95412	8.5
83.02507	96.8
84.00913	100.0
84.02021	19.3
93.57733	4.8
121.02939	28.8
157.16968	4.7
161.69206	5.5
181.25461	4.9
204.68056	4.8
235.27959	5.0
328.77719	5.5
332.75827	4.7
386.16751	5.0
409.47855	4.9
415.15549	5.4
590.61365	5.9
800.36414	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	946.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	2.5
111.04521	2.6
114.93436	2.7
121.02958	28.0
134.06155	2.4
141.01711	100.0
184.36827	2.5
203.03246	2.1
232.13428	8.5
247.13405	4.8
278.14005	3.6
321.43927	1.8
422.15762	2.0
501.21378	2.8
583.21448	3.6
773.06012	2.1
784.33124	8.5
807.69385	2.1
826.34174	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	947.5963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	25.9
85.02952	4.8
87.00858	4.2
89.02445	36.4
97.02955	3.8
101.02413	28.8
113.02420	14.7
113.09692	15.0
119.03468	8.5
125.02426	13.5
142.58380	2.2
144.42871	2.2
161.04596	2.9
167.10948	3.3
195.13989	2.2
209.12479	2.4
235.08218	3.7
249.22238	3.0
255.23293	98.9
277.51563	2.3
293.21222	85.5
315.27289	2.1
393.63824	2.1
397.13516	100.0
409.69507	2.3
415.14584	22.8
653.37671	94.3
947.45166	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	948.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28138	0.3
94.27647	0.4
99.92584	4.9
114.93425	1.2
116.92858	100.0
117.01929	0.6
151.28883	0.3
177.26675	0.4
199.60394	0.3
300.56342	0.3
424.41141	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	948.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17662	0.4
71.73035	0.4
74.44991	0.5
83.32890	0.5
92.20051	0.9
99.99831	0.5
156.91983	0.4
161.78554	0.5
185.11833	100.0
339.80310	0.5
380.64371	0.5
545.35730	0.5
881.54938	0.6
886.96210	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	949.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
115.00338	1.1
133.01385	0.8
134.03711	1.3
151.00391	5.2
159.48390	0.6
164.04755	5.5
178.99948	4.4
194.28403	0.6
198.04156	0.6
223.06171	9.5
255.02974	2.7
271.02444	6.6
300.02777	98.0
301.03564	34.3
301.06186	0.6
301.07034	0.9
326.62720	0.6
338.44070	0.7
339.07248	3.0
609.14691	100.0
637.86499	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	949.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86270	0.5
89.32724	0.5
100.85464	0.5
103.16119	0.4
105.42566	0.5
115.00342	4.6
133.01422	18.4
134.03729	11.8
149.06073	0.8
151.00354	3.0
161.74864	0.5
165.97217	0.5
178.99846	4.5
193.05067	25.4
203.08284	0.8
210.61375	0.6
223.06029	1.0
245.09299	3.1
271.02539	3.8
287.02002	4.3
300.02765	22.7
301.03540	9.0
303.05121	0.7
309.06094	7.4
315.01474	32.0
316.02243	6.8
330.03824	92.9
331.04611	34.0
404.26126	0.6
609.14655	19.3
639.15765	100.0
672.53326	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	949.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.1
73.02943	1.6
73.69202	0.4
81.03458	0.5
83.01386	0.9
83.05009	0.3
85.02950	2.1
85.94188	0.3
87.00867	2.4
89.02440	13.9
95.01393	0.6
97.02942	2.5
99.00842	0.8
101.02440	12.1
104.31776	0.4
105.69441	0.3
111.04530	0.5
111.50278	0.4
113.02442	6.3
113.09686	0.5
119.03470	3.1
125.02426	5.0
133.05058	0.5
139.03967	0.4
143.03491	1.7
161.04532	1.7
179.05659	1.5
179.14467	0.9
195.13895	22.0
221.06648	0.7
235.08209	5.1
251.23907	0.4
255.23306	44.8
277.21719	18.5
277.26550	0.5
295.22781	100.0
305.08789	0.7
397.13519	45.3
415.14572	10.1
561.30585	0.4
653.37646	47.4
729.05170	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	950.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	0.3
73.02956	0.4
74.00530	0.2
81.31287	0.1
92.19425	0.7
97.95343	0.2
99.00898	0.3
99.92590	5.5
114.93436	1.0
116.03580	0.2
116.92859	100.0
116.97229	0.7
117.01957	0.7
117.92894	0.4
120.21885	0.2
121.02982	0.4
121.72011	0.2
129.09218	0.3
198.44545	0.2
246.15045	0.4
292.15607	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	951.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02950	9.5
111.04516	8.0
125.02406	3.9
137.02414	6.3
139.04015	50.9
151.03978	7.1
152.49197	1.6
161.02426	19.9
163.00385	3.5
164.01149	8.6
167.03488	3.2
177.01910	28.1
178.02625	2.7
178.99513	1.4
179.02051	3.4
179.03514	53.3
184.82961	1.8
204.00584	2.6
219.02879	3.2
242.02203	1.8
257.04510	20.2
269.04480	1.9
271.06207	2.2
283.06219	2.3
285.07724	3.6
296.03192	14.9
297.03967	12.4
299.05472	1.9
319.08237	10.6
341.02899	2.4
347.77808	1.5
357.06284	6.1
447.07156	2.0
497.10989	10.8
502.55133	1.6
799.19080	100.0
951.19617	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	953.456
Annotation	Unknow
Peak:m/z	Relative Intensity
88.39069	0.8
100.43292	0.9
125.02459	1.7
140.21904	0.8
161.02388	1.1
190.99823	1.3
191.03508	5.3
203.03568	0.8
205.05090	7.7
233.04547	100.0
234.91658	0.8
245.04649	2.0
263.05588	26.9
267.67181	0.9
268.76096	0.8
339.08688	18.9
362.12836	0.9
367.72778	0.9
369.09760	6.7
405.72336	1.2
459.13007	92.5
510.12045	1.0
541.75409	0.9
953.19794	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	954.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35214	2.7
72.99303	15.1
87.04500	4.3
99.06686	2.7
119.05054	3.6
121.02950	35.8
180.06647	9.9
204.10333	14.5
232.09682	3.6
250.08420	4.7
250.10860	100.0
319.15436	4.0
355.14996	3.0
381.88077	2.7
874.42584	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	954.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66743	0.8
71.01382	1.5
72.04554	3.0
72.77968	0.6
72.99300	15.7
73.02943	5.1
89.02370	0.7
92.20082	2.3
119.05035	1.6
121.02946	29.1
132.04512	1.0
134.06078	2.8
144.04575	3.7
162.05542	1.1
162.09239	3.1
163.69289	0.7
179.72614	0.7
180.06664	4.1
190.08748	19.1
218.08191	6.8
236.09277	100.0
262.22058	0.8
274.40790	0.7
278.10260	1.4
279.21411	0.7
289.73764	0.8
319.15378	2.8
358.87119	0.7
451.19623	2.9
657.25677	3.7
675.26141	1.4
774.57379	0.9
971.17938	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	954.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05696	0.6
72.99302	18.3
97.06612	0.9
104.08122	0.6
107.27258	0.7
114.09242	3.9
115.07644	13.3
118.06650	1.4
119.05042	4.9
121.02952	88.3
132.04599	1.0
134.06100	3.8
140.87451	0.6
144.04500	3.1
145.78592	0.6
162.05574	5.2
180.06674	9.5
202.88968	0.7
204.06650	0.9
204.13951	3.8
216.13895	1.3
222.07748	0.9
232.13406	15.5
260.12936	4.8
278.13980	100.0
315.06381	0.7
320.15085	23.0
529.23291	1.2
535.21381	0.9
544.24011	0.7
552.48315	0.6
553.23059	3.0
571.23706	1.3
954.40454	2.7
955.01422	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	955.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	21.5
73.02942	9.7
85.02935	8.1
89.02435	22.8
99.00888	7.4
101.02447	22.6
110.00827	1.2
113.02438	14.9
119.03507	2.2
122.97104	1.1
125.02407	2.1
131.03517	2.7
137.04720	1.1
143.03499	1.6
149.04547	4.9
159.03033	1.4
160.29338	1.2
161.02490	1.4
161.04552	13.6
191.05611	1.6
315.18085	5.0
447.22427	100.0
480.59891	1.5
507.33469	2.0
691.67175	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	956.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.6
72.99288	7.4
81.65721	1.5
83.53050	1.4
89.02421	2.1
89.31821	1.5
99.04491	3.1
119.05065	2.5
121.02956	31.5
127.84743	1.4
139.59561	1.6
141.18985	1.8
169.49013	1.4
188.10698	2.0
216.10228	9.0
240.60292	1.6
262.10840	57.6
266.77161	1.6
657.26508	4.8
956.34943	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	956.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89190	1.5
72.99302	27.8
83.57566	1.6
95.10751	1.8
111.74368	2.0
119.05006	8.1
120.04573	3.8
121.02952	59.5
121.06612	1.6
132.04515	1.7
195.19438	1.8
210.09236	17.5
238.08699	28.3
262.10669	2.9
266.08090	3.9
284.09293	100.0
326.10373	3.6
465.21558	2.3
535.06097	1.9
671.27356	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	956.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99286	4.7
75.06205	2.6
109.14372	2.8
109.33843	2.7
115.07664	3.6
121.02950	13.5
198.19171	2.4
232.13464	4.1
278.13989	38.2
431.32227	2.8
613.25574	3.1
619.62830	3.3
931.40222	2.9
956.38483	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	957.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36457	0.5
70.07225	0.5
73.16863	0.5
77.32556	0.6
81.03451	1.0
83.01373	1.1
95.05021	0.8
95.26184	0.5
97.02956	5.0
109.02953	12.9
121.02956	2.6
122.03706	0.7
123.04516	7.8
125.02439	17.1
125.09666	0.7
135.04514	1.4
137.02454	16.4
139.04021	4.9
145.02954	0.6
146.03809	0.7
149.02428	5.9
151.04042	5.6
159.04527	1.3
160.05229	0.7
161.02428	4.0
161.04790	0.8
161.06061	6.5
162.03230	1.2
164.01140	3.7
165.01974	6.4
167.03467	3.1
174.03049	0.8
175.03937	3.6
175.07655	1.4
177.01877	2.4
178.27103	0.6
179.03476	9.8
187.03998	6.5
188.04858	5.1
191.80232	0.6
195.13849	0.7
199.07674	0.9
201.05563	0.7
202.06355	3.2
203.07132	22.9
205.05069	20.5
205.12349	0.7
221.08244	4.8
223.13429	8.3
227.07169	4.6
230.05821	1.1
231.03020	1.1
245.08180	36.0
247.06046	1.5
271.06165	2.3
289.07193	45.0
291.12378	0.8
493.24298	0.7
518.23163	0.6
805.36731	3.5
939.40588	1.2
957.41351	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	958.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	28.4
78.90881	1.0
79.38553	1.1
87.68794	1.0
89.02473	1.3
92.19421	1.4
106.09039	1.3
118.95540	1.0
119.05037	5.4
120.04527	4.3
121.02939	17.1
136.75284	1.1
150.28278	1.1
160.30672	1.1
162.22755	1.0
210.09274	8.2
229.37398	1.1
238.08702	24.7
266.08197	4.9
284.09308	100.0
300.08731	5.2
509.20084	1.6
654.12677	1.4
711.88855	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	958.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	12.2
79.74034	2.9
90.13702	3.3
92.19437	5.9
102.22192	3.1
106.59131	3.3
121.02943	34.8
132.01237	3.3
158.76694	3.2
167.61201	3.7
195.27888	3.4
204.49245	3.0
218.11914	5.7
220.40967	3.5
228.93234	3.1
264.12366	35.2
284.09283	38.0
358.44373	3.7
505.21454	3.9
796.24689	4.3
958.36462	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	960.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.5
72.99304	23.5
89.02412	1.9
89.02940	0.4
91.05499	0.5
104.05051	0.5
119.05013	9.5
120.04522	7.0
121.02950	46.3
132.04524	1.9
162.05617	0.5
163.03972	0.7
165.09235	0.5
204.06638	3.0
210.09236	7.8
222.09219	4.3
235.26602	0.4
238.06332	0.7
238.08743	18.6
238.99910	0.4
266.08191	8.1
273.84372	0.5
284.09290	100.0
299.16537	0.7
320.84540	0.4
326.10342	36.8
343.15506	0.7
379.17691	0.4
386.20248	0.5
397.18494	0.5
403.17560	0.5
511.21750	1.5
529.23157	1.8
535.21838	1.6
553.23108	1.9
628.25873	0.6
718.86182	0.5
778.31470	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	962.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	8.5
74.12531	2.1
76.24084	1.7
89.02436	4.7
95.92019	1.9
97.17854	1.8
101.18921	2.1
111.01531	1.9
121.02955	100.0
188.52792	2.2
301.14453	3.4
306.78952	2.0
319.15503	14.1
451.19809	20.3
615.24213	2.6
657.25562	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6876
Annotation	Unknow
Peak:m/z	Relative Intensity
73.43301	0.2
73.58904	0.3
75.29622	0.3
89.09777	0.3
95.05003	0.7
101.17885	0.3
104.32043	0.4
110.50191	0.3
112.07676	9.0
113.06092	3.2
125.02471	1.2
129.10335	5.7
130.08727	13.7
138.32195	0.3
197.16664	0.3
203.21794	0.4
207.15027	5.9
208.13411	0.7
224.17767	3.1
225.16077	29.6
238.51277	0.3
242.18561	0.4
272.54303	0.4
288.67722	0.3
320.23505	3.1
336.18140	0.3
337.26074	3.6
338.24536	10.3
433.32184	2.6
450.34631	2.9
451.32944	5.6
465.27155	0.6
546.40344	1.6
563.42847	2.1
564.41119	2.0
659.48285	1.0
676.51489	1.2
716.55841	0.3
774.53595	0.3
885.65753	2.0
903.66650	100.0
963.68945	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	964.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
73.16914	0.2
77.20605	0.3
96.96011	1.9
99.92593	5.4
114.93446	0.5
116.92860	100.0
116.97230	2.1
117.01933	1.1
121.02918	0.4
174.27644	0.3
293.98547	0.3
808.84302	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	964.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
93.77793	1.3
98.24044	1.3
116.21567	1.4
121.02956	100.0
226.96832	1.4
361.75888	1.3
421.65167	1.4
460.66974	1.4
554.75342	1.7
720.84174	1.5
872.96661	1.6
941.71417	1.5
944.04840	1.6
944.79028	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	965.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03449	1.0
100.74281	0.7
117.03481	5.4
134.90691	0.7
139.94856	0.7
161.02504	1.2
176.44336	0.6
195.25098	0.8
198.03236	8.2
223.03923	2.7
225.01997	3.7
240.04218	2.9
242.02098	0.9
251.62167	0.7
257.04547	9.7
269.00955	1.1
275.06641	0.6
281.04468	1.0
299.05423	5.2
325.03513	3.4
343.06122	46.9
343.27036	0.8
360.06387	3.8
375.08771	35.8
387.05118	25.1
391.53568	0.8
419.07785	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	965.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
78.57375	3.6
94.63940	4.0
125.02458	18.4
160.23134	4.3
166.29752	3.8
167.07074	5.0
189.22601	4.2
213.09291	4.0
225.09201	4.5
225.99196	3.7
241.08553	5.4
281.11816	5.2
289.07233	6.5
311.12808	34.7
329.13965	17.0
359.14642	5.0
371.15137	16.7
389.16156	29.1
407.17105	17.2
431.17181	15.2
433.15048	16.4
447.09579	5.6
449.18213	100.0
475.16272	8.9
515.80676	5.3
520.13318	4.6
535.18390	7.1
538.82495	4.4
595.20605	57.6
870.32330	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	965.599
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35529	0.6
78.95905	3.5
91.47373	0.6
95.84324	0.6
96.92282	0.6
110.98521	6.4
115.58381	0.6
132.94440	0.8
136.40697	0.7
153.50656	0.7
167.01144	11.0
185.02213	2.5
261.22354	0.7
279.23309	100.0
356.80286	0.7
447.25220	67.2
609.55908	0.7
723.37207	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	967.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68385	1.5
71.01370	7.1
71.08671	1.7
72.29816	1.4
79.24422	1.6
87.00830	1.8
89.02426	11.2
94.84102	1.8
101.02440	8.4
113.02402	2.9
125.95718	1.9
141.29094	1.5
161.31664	2.0
195.13924	16.3
223.13358	8.5
255.23244	6.4
258.22998	2.1
259.52731	1.7
261.48560	1.8
275.20190	8.3
293.21231	100.0
397.13629	16.8
401.91754	1.9
415.14429	10.0
439.32089	1.6
673.34302	12.5
691.35541	16.7
914.07526	1.8
967.56677	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	968.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.7
71.05029	0.4
72.99306	16.6
85.02936	0.3
85.06522	0.3
86.06100	4.1
87.04510	7.8
89.02433	2.1
90.43317	0.3
98.47061	0.3
104.05061	0.6
119.05020	2.7
121.02947	27.6
132.04477	1.2
134.06100	3.2
144.04555	3.0
149.04451	0.3
162.05617	3.6
165.09140	0.4
175.60895	0.3
176.10826	4.0
180.06660	7.2
188.10785	0.6
201.12872	0.5
204.10304	16.1
232.09784	5.1
250.10843	100.0
292.12003	3.4
301.14322	0.5
304.24115	0.3
319.15646	2.0
451.19717	2.9
474.89063	0.3
475.19873	0.3
493.20572	0.6
535.21747	0.4
633.25714	1.2
657.25586	4.4
675.27142	2.2
856.96503	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	968.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
78.14229	0.3
78.95902	0.8
81.03029	0.4
83.25547	0.3
92.20010	0.4
110.98551	2.1
145.53897	0.4
151.04225	0.4
167.01144	0.6
185.02235	2.3
219.43002	0.4
233.39058	0.3
249.09596	0.4
255.23300	0.7
279.23303	100.0
283.89038	0.4
322.94604	0.4
447.25211	58.7
483.27621	0.5
484.27679	0.8
627.12683	0.4
664.35516	0.4
968.60162	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	969.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
84.36853	0.8
89.42479	0.8
92.19461	1.7
102.47089	0.7
105.85225	0.7
125.02483	1.2
125.97787	0.8
136.14546	0.8
151.00368	1.2
160.15123	0.8
179.73357	0.8
227.03511	10.0
255.02997	25.9
256.03757	4.9
256.06738	0.9
284.03281	88.7
285.04114	12.3
370.18246	0.8
447.09360	100.0
599.81537	0.9
903.85864	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	969.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85369	4.7
82.62405	5.2
92.48615	5.7
111.34219	4.9
125.02402	6.5
130.11421	6.1
138.20671	5.2
175.87889	6.5
183.92291	5.1
215.07147	6.4
226.52060	5.5
241.08557	7.4
258.54922	5.5
284.03241	28.5
299.12955	6.6
311.12820	26.7
329.13974	11.1
371.14886	10.1
389.16046	28.1
431.17035	28.8
433.15060	6.1
449.18109	100.0
535.17712	5.7
595.20471	71.6
698.90582	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	970.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47239	0.1
73.02952	0.8
78.17222	0.1
78.74763	0.1
90.11281	0.2
91.99120	0.1
99.00857	0.5
99.92591	6.0
103.93126	0.1
114.93400	0.9
116.92857	100.0
116.97240	0.6
117.01933	2.2
121.02919	0.3
156.58650	0.1
183.88223	0.1
295.05536	0.1
525.21051	0.2
545.75214	0.2
603.20142	0.1
867.45471	0.1
964.47089	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	971.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	28.3
73.99623	2.0
75.90778	1.3
84.75054	1.1
86.06110	2.9
87.04520	9.9
88.04864	1.8
89.02455	3.1
92.51521	1.3
119.04982	2.3
121.02952	39.6
122.03307	14.1
123.03364	1.3
130.45540	1.2
134.06143	3.1
135.06477	1.7
144.04517	2.6
161.02339	1.3
162.05614	2.7
163.05945	1.8
164.83656	1.4
165.01814	1.6
167.29445	1.2
176.10776	5.9
177.11069	1.7
180.06662	6.3
181.07037	2.5
194.28871	1.3
204.10347	20.5
205.10582	12.7
206.10881	2.1
232.09750	5.5
233.10089	3.0
250.10849	100.0
251.11200	67.6
252.11398	33.8
253.11618	6.8
292.11874	1.8
319.15475	1.7
451.19531	1.6
453.20157	1.5
487.31000	1.6
659.25336	2.1
660.26410	2.9
971.36676	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	972.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
72.93349	0.1
72.99306	24.1
89.02439	1.2
92.28835	0.2
95.01421	0.2
101.02441	1.2
101.96513	0.2
104.05065	0.9
113.02473	0.3
119.05025	6.7
120.04551	6.5
121.02953	30.3
132.04546	2.3
135.04538	0.3
150.54161	0.2
162.05655	0.2
163.04002	0.6
165.09198	0.2
170.01479	0.2
175.90442	0.2
175.93045	0.2
204.06740	0.4
210.09253	10.0
220.07727	0.3
222.09230	1.8
238.08742	19.5
250.87592	0.2
266.08221	4.8
284.09299	100.0
301.14383	0.2
308.09241	0.3
319.15585	0.6
326.10330	4.0
463.20148	0.2
481.20987	0.8
523.21844	0.6
663.26978	0.4
687.26715	2.1
705.27716	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	972.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.91207	0.6
72.99306	25.9
92.20074	2.3
101.02465	0.8
119.05006	7.0
120.04554	7.2
121.02950	30.2
132.04561	1.2
210.09283	10.3
222.09253	1.1
238.08746	18.9
240.26125	0.7
247.03728	0.8
266.08157	4.4
284.09290	100.0
326.10269	4.2
402.43204	0.8
455.32062	0.8
465.23721	0.7
508.76169	0.8
687.26801	1.1
705.28638	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	972.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83237	0.7
71.01388	0.8
72.99290	4.0
78.21031	0.6
83.11578	0.7
89.02441	1.1
97.90983	0.7
101.38992	0.7
115.07626	1.2
121.02959	13.1
134.06116	2.8
162.05757	1.0
180.06674	1.7
232.13354	8.2
260.12622	0.7
278.13959	29.1
329.59094	0.7
426.81326	0.7
657.25500	1.3
739.75867	0.8
782.84229	1.0
972.37952	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	972.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	3.8
75.99149	2.0
77.90186	1.6
78.69009	1.5
91.82067	1.7
121.02943	29.6
186.83154	2.3
232.13446	10.2
278.13971	24.6
294.90952	2.0
298.10580	1.8
401.46616	2.0
507.47064	1.8
527.34247	1.9
770.34033	3.1
793.49225	2.5
812.35443	2.1
972.38019	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	973.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05021	1.0
78.95898	1.2
81.03461	1.9
81.65872	0.9
83.01382	5.6
91.98512	0.9
95.05003	1.9
97.02953	1.6
97.06577	2.1
97.31429	0.9
108.84917	0.9
123.04496	4.4
125.09720	9.6
134.07227	1.1
135.08156	1.9
137.09714	6.3
152.58345	1.0
161.09657	0.9
163.11264	11.6
165.12827	1.7
167.10771	1.7
181.12323	1.6
185.11821	10.8
191.10764	3.7
191.14455	7.5
195.13895	3.6
205.12328	1.8
207.10229	5.9
209.11819	37.7
211.13432	1.5
223.13408	19.4
225.11293	5.3
243.17569	1.0
245.19128	13.5
262.56219	0.9
263.20004	1.3
271.17044	2.0
289.18118	40.5
307.19153	100.0
459.22131	3.5
647.34546	5.3
665.35626	10.9
973.45972	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	973.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89026	0.6
71.01359	6.3
74.12553	0.7
83.01360	0.8
85.33132	0.8
87.00872	1.0
89.02448	9.8
97.02920	1.1
101.02449	8.1
102.68272	0.8
104.20885	0.9
111.47480	0.8
113.02431	4.4
119.03462	1.8
121.10220	4.6
125.02431	3.6
143.03452	0.8
152.27780	0.7
161.04539	0.9
179.03557	0.7
197.11862	7.7
205.16196	0.7
221.15495	5.5
235.08214	1.3
249.14972	3.9
255.23320	23.6
257.22772	1.3
271.26639	0.7
290.07022	0.8
301.21808	10.3
319.22803	100.0
397.13504	29.2
415.14722	6.3
638.43976	1.0
653.37561	33.8
688.46918	1.0
739.51990	0.9
767.26483	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	975.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.4
72.99320	0.7
74.70016	0.3
89.02441	0.4
115.00364	19.6
121.02962	6.0
133.01433	100.0
135.04529	18.3
140.74776	0.3
166.48235	0.3
179.03505	34.9
221.70758	0.3
226.67618	0.3
295.04666	16.9
295.08176	1.7
369.47824	0.4
794.24078	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	978.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48275	0.2
73.02921	0.4
74.02483	0.3
80.50049	0.2
86.92677	0.2
92.19403	0.4
99.92590	6.1
114.93427	0.4
116.03548	1.0
116.92857	100.0
116.97205	1.6
117.01932	0.3
117.05562	0.9
235.94064	0.2
544.11853	0.2
544.21570	0.2
767.01086	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	978.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	6.4
72.99323	0.7
75.02444	0.3
85.02958	1.4
89.02432	9.6
101.02430	0.5
113.02409	0.5
114.09212	0.5
115.07660	1.3
119.04978	0.6
121.02949	100.0
131.03513	0.6
149.04619	0.7
163.07703	0.4
165.09201	0.7
201.12791	2.9
228.07796	0.4
232.13422	1.3
245.11711	0.5
251.14525	0.3
253.12384	0.4
255.13680	0.4
260.12759	0.7
269.11856	0.3
271.13324	1.3
278.14026	5.3
281.15363	0.6
283.13315	0.8
297.14902	0.5
299.12860	0.6
299.16272	0.4
301.14520	4.6
312.93555	0.4
319.15500	17.3
320.15445	0.4
325.14557	0.6
343.15610	0.6
373.16516	0.4
387.13116	1.8
429.14166	1.9
431.20724	3.2
433.19043	0.4
435.12460	0.3
451.13501	0.7
451.19766	21.7
475.13974	0.4
475.20020	1.7
493.20926	4.0
525.21558	0.7
535.21918	6.2
597.23718	0.5
615.24597	4.2
657.25623	57.1
721.89563	0.4
918.39307	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	979.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	15.4
77.25140	0.7
81.03436	0.9
83.01390	1.0
85.02964	1.5
89.02441	19.6
95.01383	0.8
99.04541	1.7
101.02445	15.9
107.59793	0.8
113.02432	6.3
115.03988	3.2
119.03480	7.0
143.90340	0.8
160.46759	0.8
175.14876	0.9
184.23792	0.8
193.16005	13.1
237.14912	4.5
258.93439	0.8
300.15787	0.8
435.22385	100.0
534.81061	1.0
583.47980	0.9
616.01746	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	979.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
117.01033	0.2
120.27023	0.2
125.02415	0.3
159.05615	0.2
172.65584	0.2
243.13770	0.3
311.16528	0.3
313.18112	100.0
314.45630	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	980.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11274	0.3
71.01373	1.6
72.99305	17.0
73.95479	0.3
89.02438	2.1
98.06099	2.8
99.04516	7.8
100.96207	0.3
110.26394	0.3
119.05003	3.4
121.02074	0.8
121.02947	24.2
132.04547	0.5
134.06108	0.6
144.04535	0.7
146.73141	0.4
149.04558	0.4
150.45757	0.4
172.11252	0.6
188.10793	4.6
194.97499	0.4
200.10815	0.6
216.10292	13.7
244.09816	4.1
262.10843	100.0
286.10687	0.5
301.14441	0.5
301.25143	0.4
304.12039	2.2
319.15573	2.1
451.19656	2.6
493.21057	0.4
511.22034	0.6
657.25854	4.4
675.26477	1.3
709.21698	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	980.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	20.0
74.75725	1.3
88.71084	1.2
89.67126	1.2
114.09207	5.2
115.07632	6.6
117.41264	1.5
119.05006	2.4
121.02978	19.0
126.71856	1.4
134.06100	2.7
140.01114	1.4
162.05602	5.2
180.06696	8.7
204.13945	3.1
232.13402	16.2
260.12933	3.0
278.13974	100.0
320.15005	1.7
341.51611	1.6
464.16479	1.6
672.06934	1.4
928.01642	1.6
948.70166	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	982.409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31210	0.9
71.01385	1.4
72.99299	13.8
88.00367	1.1
89.02473	1.5
100.89736	1.0
114.09223	2.0
115.07616	10.0
119.05014	2.3
121.02956	33.7
129.78101	1.0
134.06110	5.2
162.05672	4.0
173.67140	1.1
180.06639	9.7
200.98566	1.0
204.13910	2.4
216.06111	1.0
232.13429	14.2
260.12857	4.4
278.13986	100.0
295.23352	1.0
319.15472	2.4
320.15039	4.6
320.23972	1.1
328.94839	1.2
346.59991	1.2
438.10748	1.3
451.20099	1.9
657.25818	4.6
784.60278	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	982.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	17.3
82.05292	0.7
89.02435	1.3
90.50389	0.7
91.74877	0.7
93.42243	0.7
100.07672	3.5
101.06078	7.5
119.05009	1.5
121.02952	27.8
134.06111	3.8
144.04524	1.3
162.05560	3.5
170.87753	0.7
180.06685	9.7
190.12386	3.7
218.11841	17.4
243.47191	0.8
246.11299	4.9
264.12418	100.0
306.13354	2.8
319.15613	2.9
402.73819	0.7
451.19464	2.7
498.06140	0.8
657.25867	4.9
675.26514	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	983.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	1.8
72.99306	36.2
73.99658	2.2
74.99735	1.9
89.02428	3.8
98.06120	4.6
99.04523	16.8
100.04836	2.0
114.37276	0.9
119.05024	5.4
120.05328	1.0
121.02953	44.5
122.03280	13.5
123.03484	2.0
132.04503	1.2
134.06125	1.6
144.04572	1.6
165.92787	0.9
173.11563	1.0
180.06671	1.7
188.10794	6.5
189.11185	3.6
195.12932	0.9
216.10313	16.8
217.10655	11.0
218.10858	0.9
219.11230	1.0
244.09782	5.7
245.10074	3.7
246.10367	1.1
262.10846	100.0
263.11179	81.3
264.11392	35.4
265.11719	9.3
304.11835	1.5
305.12079	1.4
319.15475	1.3
329.17615	7.2
330.17966	7.2
331.18387	1.0
339.46356	1.0
404.06961	1.1
452.20456	1.6
453.20447	1.2
509.77728	0.9
589.29889	0.9
658.25690	1.2
659.26190	3.6
660.26318	3.8
752.62622	0.9
922.95203	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	983.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20103	1.6
70.91570	1.4
89.02403	1.7
97.02984	1.9
109.02939	9.6
121.02881	2.0
123.04462	6.9
125.02406	10.0
137.02411	13.1
146.03790	1.8
151.04059	2.9
165.01985	2.5
179.03441	7.3
187.04013	3.1
188.04761	3.8
203.07144	18.5
205.05103	11.7
223.13326	2.3
227.07188	2.5
245.08183	23.5
277.21667	2.1
289.07169	34.7
397.13486	3.0
675.36438	3.2
831.43530	2.1
983.46368	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	983.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	13.9
73.02921	1.1
81.03468	1.5
83.01384	2.6
85.02934	3.4
87.00880	1.2
89.02442	13.0
95.05025	1.6
97.02947	5.7
97.06628	1.2
101.02444	13.9
108.39835	0.7
109.02956	13.7
113.02438	6.4
119.03476	3.0
121.02898	1.8
123.04540	6.9
125.02435	21.3
131.03513	0.8
135.04520	2.9
137.02437	15.2
139.04019	3.7
143.03500	2.6
145.02985	0.8
148.29616	0.8
149.02440	4.8
151.04031	7.4
151.11272	1.7
153.09430	0.9
157.06622	0.9
161.02434	3.5
161.04646	1.6
161.06067	5.0
162.03224	1.3
163.00369	1.5
163.11382	0.8
164.01218	2.9
165.01941	6.5
165.12856	3.3
167.03503	3.4
175.03989	3.7
177.01883	1.5
177.05623	0.9
179.03513	10.8
179.05057	1.0
181.12413	5.1
187.03938	6.0
188.04773	3.9
191.10754	3.3
202.06450	1.4
203.07178	22.1
205.05089	13.6
209.11832	8.8
221.08215	2.9
223.13370	2.9
227.07108	2.9
235.08179	4.0
245.08191	30.7
245.19087	0.9
247.06099	3.5
249.18584	3.5
265.30777	0.7
271.06100	0.8
277.21725	40.0
287.07797	1.0
289.07196	36.5
289.18042	2.5
305.08932	1.5
307.19150	11.0
397.13519	62.9
415.14569	17.2
438.01602	0.7
675.36078	38.2
831.41888	2.9
897.58008	0.8
983.46576	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	984.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	6.1
72.99316	3.5
80.32958	0.3
85.02974	0.5
89.02439	9.4
94.61530	0.4
101.02456	0.9
108.57110	0.3
113.02457	0.9
114.09190	0.4
115.07643	0.4
119.05029	0.9
120.04584	0.7
121.02953	100.0
122.03275	0.5
131.03479	0.5
134.06102	0.5
146.37860	0.4
149.04482	0.8
151.07658	0.5
153.57233	0.4
163.03987	0.6
164.08638	0.4
165.09296	0.6
170.33716	0.4
180.06682	0.6
184.13997	0.4
201.12839	1.9
210.09306	1.7
222.09259	0.5
232.13426	2.0
233.13916	0.4
238.08716	2.6
245.11978	0.6
251.14600	0.5
266.08337	1.8
269.15637	0.6
271.13556	0.8
278.14011	9.7
279.14313	6.7
280.14645	2.0
281.15323	0.4
283.13455	0.7
284.09299	8.7
298.46899	0.4
301.14401	5.6
318.88626	0.5
319.15497	17.2
320.15219	0.6
343.15625	0.7
376.64648	0.4
387.13171	1.5
408.13879	0.4
411.92230	0.5
429.14072	1.5
431.20764	2.5
435.71173	0.4
451.19803	19.0
475.19708	2.4
493.20935	3.6
525.21887	0.7
535.21881	4.1
597.22217	0.4
615.24811	2.9
647.73529	0.4
657.25635	43.8
783.24530	0.5
924.34674	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	986.383
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	18.4
100.37301	0.4
101.71354	0.4
102.04076	0.5
104.05070	0.8
117.24069	0.4
119.05009	6.5
120.04556	5.3
121.02945	40.9
132.04558	2.6
210.09265	10.8
222.09164	0.6
238.08737	19.8
266.08170	5.5
284.09290	100.0
326.10355	4.1
617.26263	2.0
641.26068	1.0
659.27448	1.5
986.39191	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	986.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47453	5.5
72.99327	6.4
80.11020	7.0
88.98772	13.3
121.02968	11.4
174.44057	6.3
194.03711	6.6
196.68210	6.2
232.13509	9.8
273.13184	7.1
278.14078	9.0
296.89963	6.0
372.35913	6.0
471.76688	6.5
986.39697	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	987.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38797	0.7
68.99847	0.7
71.01382	12.1
72.99306	3.1
73.02943	2.7
75.00857	3.8
83.01361	1.0
85.02942	30.3
87.00871	8.5
89.01913	0.9
89.02438	16.3
91.46728	0.7
95.01386	8.8
96.96027	1.1
97.02940	2.8
99.00878	6.9
101.02440	6.7
109.02897	0.9
111.00899	3.4
112.75977	0.8
113.02440	93.8
116.03098	0.7
119.03484	4.0
121.52560	0.7
125.02412	1.2
129.01918	18.0
131.03496	6.3
139.00414	6.0
149.04527	1.1
157.01433	2.9
159.04230	0.9
161.04483	1.8
166.30948	0.7
173.04515	4.0
175.02510	4.3
183.20364	0.7
191.05609	7.6
199.02518	0.9
235.04570	10.3
279.84027	0.8
367.04221	1.4
367.08801	40.8
383.30438	0.8
699.93768	0.8
893.15228	1.0
987.26935	100.0
1014.36725	1.5
1022.44580	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	987.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	7.2
73.02952	1.6
74.14476	0.4
80.45078	0.4
83.01366	0.6
85.02946	2.0
87.00874	2.3
89.02444	10.5
92.20072	0.8
97.02931	1.7
99.00885	0.5
101.02432	9.5
113.02448	4.1
113.09699	1.8
119.03503	2.2
125.02433	3.0
125.09756	0.4
127.11234	1.5
129.09245	4.0
139.11284	4.4
143.03500	0.9
151.11237	0.5
153.12885	0.7
155.10768	1.7
161.04558	1.5
167.14502	0.5
169.12375	1.9
171.10265	21.6
179.05623	0.6
181.12338	3.9
183.10220	1.5
183.13843	0.7
185.11867	4.0
193.12344	0.8
197.11829	6.2
199.13492	2.8
201.11316	3.7
211.11647	0.5
211.13420	13.0
235.08223	2.8
249.22324	0.5
265.21811	0.9
275.20114	2.9
277.21729	28.6
281.04123	0.4
293.18158	0.7
293.21274	13.7
305.08817	0.8
311.22293	100.0
323.09506	0.4
383.32236	0.4
397.13525	38.8
415.14590	10.2
446.59744	0.4
675.36108	29.9
810.18158	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	988.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
91.18148	1.7
95.01395	2.3
121.02951	32.8
123.66656	1.8
124.44337	2.1
141.01714	100.0
156.64066	1.9
232.13388	6.9
260.12933	2.5
319.15347	2.1
342.12561	2.6
525.21320	9.3
565.20380	2.7
607.21887	2.8
625.22540	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	989.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
77.40803	0.8
97.02949	1.7
109.02941	8.5
121.02960	1.1
123.04498	5.4
125.02416	9.7
132.86647	1.0
137.02460	9.8
139.03992	1.4
140.26752	1.0
146.54816	1.0
149.02415	2.1
151.03986	3.9
159.04486	1.3
159.37946	1.1
161.06064	5.1
165.01889	6.0
167.03461	2.0
175.03946	1.8
175.07533	1.3
179.03465	6.4
187.03937	4.6
188.04813	2.1
202.06288	1.5
203.07117	14.4
205.05043	11.4
221.08153	1.9
223.13506	1.1
227.07085	1.4
245.08173	28.3
247.05988	1.7
255.23326	9.4
288.32462	1.1
289.07202	28.5
319.86734	1.1
325.18454	29.4
406.03134	1.0
407.27509	1.0
457.91525	1.1
767.08325	1.0
837.47241	2.1
971.49524	1.9
989.51245	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	991.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03439	10.6
100.52847	1.1
111.04480	1.1
130.05042	1.1
131.26343	1.0
137.02452	19.5
139.29279	1.0
155.03519	4.0
173.04544	100.0
191.05399	1.0
297.44144	1.0
311.07761	50.2
482.72940	1.3
608.89990	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	991.383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79736	0.6
71.01370	4.6
89.02427	11.7
105.54705	0.7
113.02471	0.7
113.36707	0.5
119.03493	0.6
121.02956	0.8
123.04486	1.0
131.03493	1.2
135.04533	5.5
146.03731	21.1
149.04543	6.6
161.06078	100.0
162.03276	1.2
165.05577	7.6
166.06343	16.4
167.01787	0.6
167.07129	58.3
177.05632	2.5
191.07271	0.8
193.08723	4.0
217.06923	0.7
217.49550	0.6
221.08171	18.1
270.09079	0.7
275.47568	0.6
297.07639	1.2
312.10095	9.0
327.12393	66.0
345.13477	1.0
398.82718	0.6
403.44669	0.8
463.38037	0.6
495.18747	66.3
517.07660	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	991.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
78.81676	0.6
78.83874	0.5
78.95895	2.0
109.95525	0.5
110.98533	3.0
130.08441	0.6
167.01152	0.9
185.02193	3.4
229.88080	0.5
280.37323	0.6
305.24863	100.0
473.26740	57.2
785.12701	0.6
960.56110	0.6
1015.59131	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	992.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	23.9
84.95354	1.8
110.02512	6.1
111.00892	9.9
119.04992	3.5
121.02948	36.3
198.42491	1.5
200.07130	7.9
228.06644	14.4
256.06183	8.3
274.07217	100.0
316.08224	2.6
451.19574	3.2
657.25629	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	993.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
75.09135	0.5
121.02949	0.9
161.17644	0.5
193.61473	0.5
203.14467	1.0
205.15984	0.6
207.17574	4.6
235.16959	2.2
247.13400	100.0
270.43048	0.7
279.16019	29.5
561.39539	0.6
745.24414	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	994.349
Annotation	Unknow
Peak:m/z	Relative Intensity
89.10415	7.7
92.14607	6.4
119.52100	8.3
121.02944	100.0
128.01927	7.0
141.01688	44.9
231.26602	7.2
286.80295	8.2
319.15521	30.7
440.53024	8.1
525.21637	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	2.5
72.99299	6.7
89.02441	0.9
99.04514	1.0
102.98096	0.5
108.83287	0.5
112.07634	0.7
118.06637	2.7
119.05029	2.3
121.02958	29.2
134.06123	12.3
162.05600	12.0
180.06665	100.0
214.12321	0.6
230.11877	2.3
238.08626	0.5
258.11414	0.8
276.12411	86.0
284.09305	2.7
318.13614	3.7
319.15604	2.7
323.05310	0.6
451.19876	2.8
493.20828	0.7
657.25537	4.8
659.59027	0.6
675.26770	1.2
801.41943	0.6
994.34113	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	995.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	60.8
72.99310	0.8
73.02943	1.1
81.97592	0.6
83.01376	3.0
85.02952	10.6
87.00872	3.1
89.02440	100.0
95.01403	5.2
101.02438	44.4
111.95402	0.7
113.02441	34.1
116.52448	0.7
119.03495	42.0
125.02451	1.5
131.03494	5.0
143.03488	9.5
149.04593	1.4
161.04567	14.0
179.05609	97.1
246.04324	0.8
335.22623	0.8
419.15060	1.2
452.43176	0.9
459.97424	0.9
497.27551	47.8
879.20703	0.9
995.55786	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	995.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.4
71.78642	0.3
125.02408	0.8
155.21405	0.3
168.18675	0.3
174.82114	0.3
182.36876	0.3
194.58789	0.3
285.04028	0.4
294.96463	0.3
431.25562	0.4
514.27222	0.4
515.27826	100.0
682.97528	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	996.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.5
72.99303	14.5
82.36673	0.2
89.02445	2.3
97.06596	0.4
99.08144	0.4
114.09229	3.9
115.07641	9.0
118.06583	0.5
119.05006	3.0
121.02947	25.9
132.04539	0.4
134.06119	5.5
144.04578	2.1
155.99010	0.3
162.05605	4.6
180.06670	8.5
193.96651	0.3
204.13911	4.4
216.13974	1.4
232.13426	17.5
260.12943	4.1
278.13977	100.0
301.14563	0.7
319.15591	2.1
320.15082	3.5
350.60248	0.3
451.19543	2.1
472.10123	0.4
633.25757	0.5
657.25452	5.8
675.26471	2.0
1031.73035	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	998.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	5.1
73.16434	1.0
83.45438	1.2
89.02443	5.1
121.02946	47.6
165.09155	1.3
262.10886	2.6
301.14386	2.7
319.15393	10.0
451.19604	12.5
535.21869	2.6
657.25562	41.6
780.58118	1.6
902.36011	4.7
998.35968	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	999.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.8
72.99307	33.5
73.99653	1.9
74.69732	1.3
74.99722	1.8
114.09217	6.0
115.07641	12.4
116.07957	1.9
119.04988	3.2
121.02184	2.3
121.02962	38.4
122.03269	13.6
123.03407	2.0
134.06104	5.9
135.06413	1.9
144.04590	1.5
162.05609	7.1
163.05988	2.0
180.06667	11.1
181.07033	3.3
204.14005	3.2
232.13431	17.2
233.13713	14.8
234.13945	7.3
260.12848	2.4
261.13232	2.7
278.13977	100.0
279.14288	78.7
280.14536	44.1
281.14792	8.7
287.28845	1.7
320.15421	1.5
321.15421	2.7
371.93762	1.5
400.10645	1.5
431.36066	1.6
452.19962	1.8
452.32477	1.4
474.65900	1.4
524.57214	1.5
660.26038	2.2
677.27399	1.7
960.24585	1.8
999.42560	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	999.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.7
72.99309	29.0
73.99646	2.1
74.99739	2.1
82.82922	0.9
89.02448	4.4
99.08120	1.0
114.09205	8.1
115.07635	14.1
115.09587	1.4
115.45371	1.0
116.07984	2.2
117.74641	1.0
119.05009	2.2
120.05367	1.3
121.02949	46.3
122.03284	14.7
123.03439	2.0
134.06110	7.1
135.06479	1.4
144.04533	4.6
150.77159	1.1
162.05624	5.8
163.05994	2.0
180.06650	11.6
181.06972	4.5
197.73907	1.0
204.13954	6.5
205.14290	4.6
206.14682	1.0
216.14029	1.2
232.13443	18.9
233.13779	12.5
234.14061	5.2
260.12927	4.0
261.13272	2.2
278.13977	100.0
279.14310	80.4
280.14551	40.5
281.14868	9.4
316.25082	1.0
319.15564	1.5
320.15240	4.1
321.15594	1.9
387.48642	1.0
658.26117	1.3
659.26648	2.3
660.26630	3.3
677.27649	1.5
999.39441	8.6
END